A0A3Q0KFI7_SCHMA Loading...

28S ribosomal protein S30, mitochondrial

AlphaFold DB (A0A5K4EDN2), UniProt , Accession A0A3Q0KFI7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 522 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	26.1	Very low	248 Å²	248	166.1 Å²	166.1	100%	1.222	89%	0.886	S	S	*	*				0	86.4	0	-79.1	178	158.4	0	0	107.3
2	L	21.8	Very low	26.1	Very low	168 Å²	168	164.3 Å²	164.3	88%	0.88	88%	0.877	S	S	*	*			trans	-114.1	108.6	-172.2	-83.7	153.1	0	0	0	107.3	N4	L2-N4 PolarHBondContact O-N 3.32Å
3	S	27.6	Very low	25.9	Very low	121 Å²	121	169.2 Å²	169.2	85%	0.846	88%	0.875	S	S	*	*			trans	-97.2	81	175.1	59.1	0	0	0	0	110.3
4	N	22.5	Very low	26.1	Very low	149 Å²	149	162.2 Å²	162.2	80%	0.797	85%	0.847	S	S	*	*			trans	-91	80.3	161.3	-92	-12.9	0	0	0	108.6	L2	L2-N4 PolarHBondContact O-N 3.32Å
5	N	25.2	Very low	26.2	Very low	157 Å²	157	162.3 Å²	162.3	84%	0.84	84%	0.842	S	S	*	*			trans	-156.8	37.2	177.8	-105.7	-11.6	0	0	0	116.6
6	F	26.8	Very low	26.7	Very low	202 Å²	202	159.1 Å²	159.1	89%	0.886	83%	0.825	S	S	*	*	S	Bend	trans	-125.3	16	178	-125.2	-87.6	0	0	0	117.2
7	M	26.5	Very low	26.7	Very low	183 Å²	183	154.7 Å²	154.7	90%	0.901	81%	0.811	S	S	*	*	S	Bend	trans	-129.8	33.3	-179	-78.9	-65.9	-78.6	0	0	114.9
8	L	24.6	Very low	26.9	Very low	164 Å²	164	156.8 Å²	156.8	86%	0.859	81%	0.812	S	S	*	*	S	Bend	trans	-148.9	71.8	175.7	-87.5	168.4	0	0	0	111.4
9	T	24.2	Very low	27.1	Very low	140 Å²	140	155 Å²	155	86%	0.859	80%	0.804	S	S	*	*	S	Bend	trans	-177	135.3	152.1	25.5	0	0	0	0	110.8
10	L	26.3	Very low	27	Very low	158 Å²	158	153.5 Å²	153.5	83%	0.827	80%	0.796	S	S	*	*			trans	90	39.8	175.8	-65.5	150	0	0	0	118.2	N12	L10-N12 PolarHBondContact O-N 3.17Å
11	V	29.5	Very low	27.2	Very low	137 Å²	137	149.7 Å²	149.7	83%	0.83	78%	0.781	S	S	*	*			trans	-82.1	94	146.5	179.6	0	0	0	0	107.2	R13	V11-R13 PolarHBondContact O-N 3.35Å; V11-R13 VanDerWaalsContact O-N 3.08Å
12	N	26.3	Very low	27.3	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	76%	0.756	S	S	*	*			trans	-56.5	115.2	168.1	-106.7	-23.4	0	0	0	108.2	L10 C14	L10-N12 PolarHBondContact O-N 3.17Å; N12-C14 PolarHBondContact O-N 3.3Å
13	R	23.2	Very low	27.9	Very low	227 Å²	227	138.8 Å²	138.8	86%	0.857	73%	0.732	S	S	*	*			trans	-62.7	90.6	-178.8	-71	176.8	171.8	-179.2	-2.1	110	V11 Q15	V11-R13 PolarHBondContact O-N 3.35Å; V11-R13 VanDerWaalsContact O-N 3.08Å; R13-Q15 VanDerWaalsContact C-N 3.29Å; R13-Q15 PolarHBondContact O-N 3.1Å; R13-Q15 VanDerWaalsContact O-N 3.13Å
14	C	28.2	Very low	28.1	Very low	72 Å²	72	135.7 Å²	135.7	49%	0.486	71%	0.71	S	S	.	*			trans	-68.6	100.3	143.3	-102.1	0	0	0	0	105.9	N12 I16	N12-C14 PolarHBondContact O-N 3.3Å; C14-I16 PolarHBondContact O-N 3.06Å
15	Q	28.2	Very low	28.7	Very low	164 Å²	164	135.4 Å²	135.4	77%	0.766	70%	0.703	S	S	*	*			trans	-62.4	78.4	162.2	-83.2	-179	-34.5	0	0	108.5	R13 S17	R13-Q15 VanDerWaalsContact C-N 3.29Å; R13-Q15 PolarHBondContact O-N 3.1Å; R13-Q15 VanDerWaalsContact O-N 3.13Å; Q15-S17 PolarHBondContact O-N 2.96Å
16	I	34.4	Very low	29.2	Very low	111 Å²	111	132.4 Å²	132.4	57%	0.569	69%	0.685	S	S	*	*			trans	-67.1	80	144.7	-56.5	173.3	0	0	0	103.8	C14 K18 L19	C14-I16 PolarHBondContact O-N 3.06Å; I16-K18 PolarHBondContact O-N 3.27Å; I16-L19 HydrophobicContact CB-CD1 4.07Å; I16-L19 HydrophobicContact CB-CG 4.21Å; I16-L19 HydrophobicContact CD1-CD1 4.4Å; I16-L19 HydrophobicContact CG2-CD1 4.12Å; I16-L19 HydrophobicContact CG2-CD2 4.15Å; I16-L19 HydrophobicContact CG2-CG 3.75Å; I16-L19 PolarHBondContact O-N 3.41Å
17	S	26.9	Very low	29.4	Very low	84 Å²	84	128.1 Å²	128.1	59%	0.587	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	113.4	-175.8	53.9	0	0	0	0	108.8	Q15	Q15-S17 PolarHBondContact O-N 2.96Å
18	K	28.9	Very low	29.8	Very low	192 Å²	192	124.9 Å²	124.9	84%	0.835	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.9	68	179.1	-59.9	-179.6	177.2	-179.3	0	114.2	I16 L20	I16-K18 PolarHBondContact O-N 3.27Å; K18-L20 PolarHBondContact O-N 2.93Å
19	L	31	Very low	30.2	Very low	123 Å²	123	123.4 Å²	123.4	64%	0.644	64%	0.64	S	S	*	*			trans	-62.8	74.6	145.8	-77.4	159.4	0	0	0	109	I16	I16-L19 HydrophobicContact CB-CD1 4.07Å; I16-L19 HydrophobicContact CB-CG 4.21Å; I16-L19 HydrophobicContact CD1-CD1 4.4Å; I16-L19 HydrophobicContact CG2-CD1 4.12Å; I16-L19 HydrophobicContact CG2-CD2 4.15Å; I16-L19 HydrophobicContact CG2-CG 3.75Å; I16-L19 PolarHBondContact O-N 3.41Å
20	L	25.3	Very low	30.5	Very low	125 Å²	125	120.4 Å²	120.4	65%	0.654	62%	0.624	S	S	*	*			trans	-68	133.9	142.3	-86.9	153.1	0	0	0	105.3	K18 V22	K18-L20 PolarHBondContact O-N 2.93Å; L20-V22 PolarHBondContact O-N 3.26Å
21	P	32.3	Very low	30.6	Very low	73 Å²	73	120.1 Å²	120.1	47%	0.474	62%	0.618	S	S	.	*			trans	-59.7	108.2	167.9	26.3	-29.5	0	0	0	106.5	N23 S24	P21-N23 CarbonylContact O-C 3.37Å; P21-N23 WeakPolarHBondContact O-CA 3.29Å; P21-N23 PolarHBondContact O-N 3.31Å; P21-S24 PolarHBondContact O-N 2.98Å; P21-S24 VanDerWaalsContact O-N 3.13Å
22	V	32.6	Very low	30.5	Very low	115 Å²	115	123.5 Å²	123.5	70%	0.697	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	92.7	146.5	-177.7	0	0	0	0	102.6	L20	L20-V22 PolarHBondContact O-N 3.26Å
23	N	35.7	Very low	30.6	Very low	73 Å²	73	122.5 Å²	122.5	39%	0.39	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	cis	-152.6	113.8	32.9	-155.9	-9.1	0	0	0	108.4	P21 F25 I26 L27	P21-N23 CarbonylContact O-C 3.37Å; P21-N23 WeakPolarHBondContact O-CA 3.29Å; P21-N23 PolarHBondContact O-N 3.31Å; N23-F25 PolarHBondContact O-N 3.32Å; N23-F25 WeakPolarHBondContact OD1-CB 3.49Å; N23-F25 PolarHBondContact OD1-N 3.04Å; N23-I26 HydrophobicContact CB-CB 4.06Å; N23-I26 HydrophobicContact CB-CD1 3.74Å; N23-I26 HydrophobicContact CB-CG1 3.76Å; N23-I26 PolarHBondContact O-N 3.09Å; N23-L27 PolarHBondContact O-N 3.45Å
24	S	31.7	Very low	30.7	Very low	55 Å²	55	120.5 Å²	120.5	39%	0.385	61%	0.611	S	S	.	*	H	α-helix	trans	-55.3	-19	166.2	-42.2	0	0	0	0	111.5	P21 L28	P21-S24 PolarHBondContact O-N 2.98Å; P21-S24 VanDerWaalsContact O-N 3.13Å; S24-L28 WeakPolarHBondContact O-CB 3.41Å; S24-L28 WeakPolarHBondContact O-CD1 3.41Å; S24-L28 PolarHBondContact O-N 2.99Å
25	F	35.1	Very low	30.7	Very low	144 Å²	144	120.7 Å²	120.7	63%	0.632	61%	0.613	S	S	*	*	H	α-helix	trans	-72	-25.1	172.6	-144.9	-93.9	0	0	0	113.8	N23 R29	N23-F25 PolarHBondContact O-N 3.32Å; N23-F25 WeakPolarHBondContact OD1-CB 3.49Å; N23-F25 PolarHBondContact OD1-N 3.04Å; F25-R29 PolarHBondContact O-N 3.31Å
26	I	36.5	Very low	30.6	Very low	93 Å²	93	119.8 Å²	119.8	48%	0.477	61%	0.612	S	S	.	*	H	α-helix	trans	-85.7	-37.8	174.3	-66.8	171.9	0	0	0	110	N23 R29 C30	N23-I26 HydrophobicContact CB-CB 4.06Å; N23-I26 HydrophobicContact CB-CD1 3.74Å; N23-I26 HydrophobicContact CB-CG1 3.76Å; N23-I26 PolarHBondContact O-N 3.09Å; I26-R29 PolarHBondContact O-N 3.22Å; I26-C30 VanDerWaalsContact O-CB 3.31Å; I26-C30 WeakPolarHBondContact O-CB 3.48Å; I26-C30 PolarHBondContact O-N 2.87Å; I26-C30 PolarHBondContact O-SG 2.9Å
27	L	30.9	Very low	30.3	Very low	112 Å²	112	123.7 Å²	123.7	59%	0.586	63%	0.628	S	S	*	*	H	α-helix	trans	-70.5	-33.6	173.3	-85.6	157.8	0	0	0	113.2	N23 R29 C30 Q31	N23-L27 PolarHBondContact O-N 3.45Å; L27-R29 VanDerWaalsContact C-N 3.32Å; L27-R29 PolarHBondContact O-N 3.18Å; L27-C30 PolarHBondContact O-N 3.18Å; L27-Q31 PolarHBondContact O-N 2.92Å
28	L	33.6	Very low	30.2	Very low	116 Å²	116	124.2 Å²	124.2	61%	0.607	63%	0.632	S	S	*	*	H	α-helix	trans	-70	-24.5	172.6	-89.8	149.1	0	0	0	113.3	S24	S24-L28 WeakPolarHBondContact O-CB 3.41Å; S24-L28 WeakPolarHBondContact O-CD1 3.41Å; S24-L28 PolarHBondContact O-N 2.99Å
29	R	32.5	Very low	30.2	Very low	132 Å²	132	124.4 Å²	124.4	50%	0.498	63%	0.628	S	S	.	*	H	α-helix	trans	-89.3	-28.1	170.3	-89.7	-168.3	174.2	-173.5	-0.9	113.7	F25 I26 L27 Q31 W32 N294	F25-R29 PolarHBondContact O-N 3.31Å; I26-R29 PolarHBondContact O-N 3.22Å; L27-R29 VanDerWaalsContact C-N 3.32Å; L27-R29 PolarHBondContact O-N 3.18Å; R29-Q31 VanDerWaalsContact C-N 3.33Å; R29-W32 WeakPolarHBondContact O-CB 3.19Å; R29-W32 PolarHBondContact O-N 3.5Å; R29-N294 VanDerWaalsContact CZ-ND2 3.33Å; R29-N294 PolarHBondContact NH1-ND2 3Å; R29-N294 PolarHBondContact NH2-ND2 3.18Å; R29-N294 PolarHBondContact NH2-OD1 2.66Å
30	C	31.5	Very low	30	Very low	77 Å²	77	125.8 Å²	125.8	52%	0.52	64%	0.636	S	S	.	*	H	α-helix	trans	-77	-18.5	174.8	-70.7	0	0	0	0	113	I26 L27 W32 N33	I26-C30 VanDerWaalsContact O-CB 3.31Å; I26-C30 WeakPolarHBondContact O-CB 3.48Å; I26-C30 PolarHBondContact O-N 2.87Å; I26-C30 PolarHBondContact O-SG 2.9Å; L27-C30 PolarHBondContact O-N 3.18Å; C30-W32 PolarHBondContact O-N 3.46Å; C30-N33 PolarHBondContact O-N 3.46Å
31	Q	28.7	Very low	30.3	Very low	152 Å²	152	128.3 Å²	128.3	71%	0.71	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-7	165.2	-86.6	-173.2	-25.3	0	0	114	L27 R29	L27-Q31 PolarHBondContact O-N 2.92Å; R29-Q31 VanDerWaalsContact C-N 3.33Å
32	W	27.7	Very low	30.1	Very low	209 Å²	209	130.2 Å²	130.2	79%	0.792	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-6.6	176.9	-87.5	48.2	0	0	0	115.6	R29 C30	R29-W32 WeakPolarHBondContact O-CB 3.19Å; R29-W32 PolarHBondContact O-N 3.5Å; C30-W32 PolarHBondContact O-N 3.46Å
33	N	28.2	Very low	30	Very low	123 Å²	123	130.3 Å²	130.3	66%	0.658	66%	0.656	S	S	*	*	S	Bend	trans	-111.2	1.8	-179.9	-77.5	-18.3	0	0	0	114.9	C30	C30-N33 PolarHBondContact O-N 3.46Å
34	H	25.7	Very low	29.9	Very low	185 Å²	185	133 Å²	133	86%	0.856	68%	0.676	S	S	*	*	S	Bend	trans	-97.5	12	169.7	-100	-46.6	0	0	0	114.6
35	S	26.4	Very low	30.2	Very low	76 Å²	76	137.2 Å²	137.2	53%	0.531	70%	0.699	S	S	.	*			trans	-98.7	29.2	169.8	61	0	0	0	0	113.6	Q37	S35-Q37 VanDerWaalsContact C-N 3.25Å; S35-Q37 PolarHBondContact O-N 2.91Å
36	I	27.6	Very low	30.6	Very low	145 Å²	145	137 Å²	137	74%	0.744	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	5.3	178.3	-70.7	174.6	0	0	0	112.9
37	Q	27.5	Very low	31	Very low	194 Å²	194	138.2 Å²	138.2	91%	0.907	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.6	19.7	179.9	-93.1	-177.1	-13.9	0	0	117	S35	S35-Q37 VanDerWaalsContact C-N 3.25Å; S35-Q37 PolarHBondContact O-N 2.91Å
38	S	25.8	Very low	31.8	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	72%	0.718	S	S	*	*			trans	-148.7	62.5	168.6	65.8	0	0	0	0	112.3
39	Y	28.5	Very low	32.5	Very low	196 Å²	196	141.5 Å²	141.5	77%	0.769	73%	0.725	S	S	*	*			trans	-114.1	68.5	158.1	-137.5	-91.7	0	0	0	108.4	Q41	Y39-Q41 PolarHBondContact O-N 3.19Å
40	N	27.1	Very low	33.6	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	73%	0.726	S	S	*	*			trans	-68.6	114.5	158.8	-88.1	-20.6	0	0	0	107.4	T42	N40-T42 PolarHBondContact O-N 3.38Å
41	Q	30.7	Very low	35.3	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	72%	0.72	S	S	*	*	S	Bend	trans	13.7	97.1	146.1	-67.9	173.3	-16.6	0	0	115	Y39	Y39-Q41 PolarHBondContact O-N 3.19Å
42	T	28.4	Very low	37.4	Very low	113 Å²	113	136.7 Å²	136.7	69%	0.693	71%	0.714	S	S	*	*			trans	-175.9	134.3	131.4	19.3	0	0	0	0	111.6	N40	N40-T42 PolarHBondContact O-N 3.38Å
43	T	30.2	Very low	39.6	Very low	118 Å²	118	131 Å²	131	72%	0.724	70%	0.696	S	S	*	*			trans	78.4	126	158	44.5	0	0	0	0	121.6
44	T	33.2	Very low	41.8	Very low	130 Å²	130	127.7 Å²	127.7	80%	0.798	68%	0.676	S	S	*	*			trans	88.6	112.2	154.7	46.7	0	0	0	0	121.3	N46	T44-N46 PolarHBondContact O-N 3.26Å; T44-N46 VanDerWaalsContact O-N 3.16Å
45	T	37.8	Very low	44.2	Very low	142 Å²	142	122.8 Å²	122.8	87%	0.871	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	27.9	-166.2	29.3	0	0	0	0	117
46	N	43.7	Very low	46.6	Very low	139 Å²	139	126.1 Å²	126.1	74%	0.743	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	0.8	-175.5	-76.7	6.9	0	0	0	116.4	T44	T44-N46 PolarHBondContact O-N 3.26Å; T44-N46 VanDerWaalsContact O-N 3.16Å
47	N	45.3	Very low	48.9	Very low	120 Å²	120	121.4 Å²	121.4	64%	0.642	64%	0.637	S	S	*	*	S	Bend	trans	-97.6	-7.2	-179.1	-74.9	-9.6	0	0	0	115
48	N	48.2	Very low	51	Low	132 Å²	132	112.9 Å²	112.9	71%	0.706	60%	0.597	S	S	*	*	H	α-helix	trans	-79.4	-29.2	-176.3	-83.1	-5.4	0	0	0	113.5	S51 N52	N48-S51 PolarHBondContact O-N 3.5Å; N48-N52 PolarHBondContact O-N 3.31Å; N48-N52 VanDerWaalsContact O-N 3.14Å
49	E	47.5	Very low	53.5	Low	164 Å²	164	113.1 Å²	113.1	77%	0.766	59%	0.591	S	S	*	*	H	α-helix	trans	-69.9	-45.6	178.9	-71.2	-173.7	163	0	0	111.6	S51 N52 E53	E49-S51 PolarHBondContact O-N 2.96Å; E49-N52 PolarHBondContact O-N 2.91Å; E49-E53 WeakPolarHBondContact O-CB 3.43Å; E49-E53 PolarHBondContact O-N 3.27Å
50	D	57	Low	55.7	Low	95 Å²	95	106.7 Å²	106.7	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-59.6	-34.2	175.6	-87.4	5	0	0	0	112.8	F54	D50-F54 WeakPolarHBondContact O-CB 3.32Å; D50-F54 PolarHBondContact O-N 2.98Å
51	S	66.4	Low	57.9	Low	58 Å²	58	99.5 Å²	99.5	41%	0.406	54%	0.54	S	S	.	.	H	α-helix	trans	-73.5	-41	178.2	-173.4	0	0	0	0	112	N48 E49 L55	N48-S51 PolarHBondContact O-N 3.5Å; E49-S51 PolarHBondContact O-N 2.96Å; S51-L55 WeakPolarHBondContact O-CB 3.45Å; S51-L55 WeakPolarHBondContact O-CD1 3.29Å; S51-L55 WeakPolarHBondContact O-CG 3.49Å; S51-L55 PolarHBondContact O-N 2.87Å
52	N	73.2	Confident	59.8	Low	108 Å²	108	96 Å²	96	58%	0.578	52%	0.522	S	S	*	.	H	α-helix	trans	-69.9	-44.7	178.3	-76	-14.5	0	0	0	111.2	N48 E49 F54 L55 E56	N48-N52 PolarHBondContact O-N 3.31Å; N48-N52 VanDerWaalsContact O-N 3.14Å; E49-N52 PolarHBondContact O-N 2.91Å; N52-F54 VanDerWaalsContact C-N 3.34Å; N52-F54 PolarHBondContact O-N 3.04Å; N52-L55 PolarHBondContact O-N 3.44Å; N52-E56 WeakPolarHBondContact O-CB 3.5Å; N52-E56 PolarHBondContact O-N 2.97Å
53	E	73.7	Confident	61.8	Low	89 Å²	89	96.8 Å²	96.8	42%	0.416	52%	0.522	S	S	.	.	H	α-helix	trans	-61.3	-43.9	175.9	-163.7	-153	-172.9	0	0	110.5	E49 E56 K57	E49-E53 WeakPolarHBondContact O-CB 3.43Å; E49-E53 PolarHBondContact O-N 3.27Å; E53-E56 PolarHBondContact O-N 3.47Å; E53-K57 VanDerWaalsContact CD-CE 3.41Å; E53-K57 HydrophobicContact CG-CD 4.34Å; E53-K57 WeakPolarHBondContact O-CB 3.41Å; E53-K57 WeakPolarHBondContact O-CG 3.29Å; E53-K57 PolarHBondContact O-N 2.96Å; E53-K57 WeakPolarHBondContact OE1-CE 3.47Å; E53-K57 IonicContact OE1-NZ 3.09Å; E53-K57 PolarHBondContact OE1-NZ 3.32Å; E53-K57 IonicContact OE2-NZ 3.8Å; E53-K57 PolarHBondContact OE2-NZ 3.11Å
54	F	74.2	Confident	63.8	Low	54 Å²	54	93.8 Å²	93.8	24%	0.237	50%	0.502	C	S	.	.	H	α-helix	trans	-62.8	-42	174.2	174.9	-106.7	0	0	0	112.8	D50 N52 E56 K57 L58 K293 M296	D50-F54 WeakPolarHBondContact O-CB 3.32Å; D50-F54 PolarHBondContact O-N 2.98Å; N52-F54 VanDerWaalsContact C-N 3.34Å; N52-F54 PolarHBondContact O-N 3.04Å; F54-E56 VanDerWaalsContact C-N 3.33Å; F54-E56 PolarHBondContact O-N 3.04Å; F54-K57 PolarHBondContact O-N 3.48Å; F54-L58 HydrophobicContact CE1-CD1 3.89Å; F54-L58 HydrophobicContact CE2-CD1 4.26Å; F54-L58 HydrophobicContact CZ-CB 4.49Å; F54-L58 HydrophobicContact CZ-CD1 3.51Å; F54-L58 WeakPolarHBondContact O-CB 3.29Å; F54-L58 PolarHBondContact O-N 3.22Å; F54-K293 HydrophobicContact CD2-CB 3.97Å; F54-K293 HydrophobicContact CD2-CD 4.36Å; F54-K293 HydrophobicContact CD2-CG 4.12Å; F54-K293 HydrophobicContact CE2-CB 3.54Å; F54-K293 HydrophobicContact CE2-CG 4.17Å; F54-K293 HydrophobicContact CZ-CB 4.34Å; F54-M296 HydrophobicContact CD2-CE 4.09Å; F54-M296 HydrophobicContact CE2-CE 3.46Å; F54-M296 VanDerWaalsContact CE2-CE 3.46Å; F54-M296 HydrophobicContact CZ-CE 4.31Å
55	L	76.4	Confident	65.9	Low	82 Å²	82	92.1 Å²	92.1	43%	0.429	49%	0.493	S	S	.	.	H	α-helix	trans	-63.4	-39.7	177.3	-79.8	164.9	0	0	0	111.8	S51 N52 L58 N59	S51-L55 WeakPolarHBondContact O-CB 3.45Å; S51-L55 WeakPolarHBondContact O-CD1 3.29Å; S51-L55 WeakPolarHBondContact O-CG 3.49Å; S51-L55 PolarHBondContact O-N 2.87Å; N52-L55 PolarHBondContact O-N 3.44Å; L55-L58 PolarHBondContact O-N 3.02Å; L55-N59 WeakPolarHBondContact O-CB 3.37Å; L55-N59 PolarHBondContact O-N 2.96Å; L55-N59 PolarHBondContact O-ND2 3.01Å
56	E	77.3	Confident	67.9	Low	145 Å²	145	86.6 Å²	86.6	68%	0.678	46%	0.46	S	S	*	.	H	α-helix	trans	-64.3	-47	174.6	-167.4	175.7	-175.6	0	0	111.2	N52 E53 F54 L58 N59 A60	N52-E56 WeakPolarHBondContact O-CB 3.5Å; N52-E56 PolarHBondContact O-N 2.97Å; E53-E56 PolarHBondContact O-N 3.47Å; F54-E56 VanDerWaalsContact C-N 3.33Å; F54-E56 PolarHBondContact O-N 3.04Å; E56-L58 VanDerWaalsContact C-N 3.32Å; E56-L58 PolarHBondContact O-N 3.48Å; E56-N59 PolarHBondContact O-N 2.71Å; E56-A60 PolarHBondContact O-N 2.95Å
57	K	75.1	Confident	69.4	Low	47 Å²	47	81.2 Å²	81.2	20%	0.204	43%	0.433	C	S	.	.	H	α-helix	trans	-57.8	-44.1	173.7	-68.8	170.9	174.6	169.4	0	112	E53 F54 A60 A61 W309	E53-K57 VanDerWaalsContact CD-CE 3.41Å; E53-K57 HydrophobicContact CG-CD 4.34Å; E53-K57 WeakPolarHBondContact O-CB 3.41Å; E53-K57 WeakPolarHBondContact O-CG 3.29Å; E53-K57 PolarHBondContact O-N 2.96Å; E53-K57 WeakPolarHBondContact OE1-CE 3.47Å; E53-K57 IonicContact OE1-NZ 3.09Å; E53-K57 PolarHBondContact OE1-NZ 3.32Å; E53-K57 IonicContact OE2-NZ 3.8Å; E53-K57 PolarHBondContact OE2-NZ 3.11Å; F54-K57 PolarHBondContact O-N 3.48Å; K57-A60 PolarHBondContact O-N 3.12Å; K57-A61 WeakPolarHBondContact O-CB 3.49Å; K57-A61 PolarHBondContact O-N 3.2Å; K57-W309 HydrophobicContact CB-CH2 4.38Å; K57-W309 HydrophobicContact CB-CZ2 3.86Å; K57-W309 HydrophobicContact CD-CH2 3.58Å; K57-W309 HydrophobicContact CD-CZ2 3.4Å; K57-W309 VanDerWaalsContact CD-CZ2 3.4Å; K57-W309 HydrophobicContact CG-CH2 3.98Å; K57-W309 HydrophobicContact CG-CZ2 3.3Å
58	L	72.1	Confident	71.1	Confident	14 Å²	14	77 Å²	77	7%	0.073	42%	0.418	C	S	.	.	H	α-helix	trans	-67.4	-38	179.2	-172.1	122.9	0	0	0	111.5	F54 L55 E56 A61 K62 K290 P291	F54-L58 HydrophobicContact CE1-CD1 3.89Å; F54-L58 HydrophobicContact CE2-CD1 4.26Å; F54-L58 HydrophobicContact CZ-CB 4.49Å; F54-L58 HydrophobicContact CZ-CD1 3.51Å; F54-L58 WeakPolarHBondContact O-CB 3.29Å; F54-L58 PolarHBondContact O-N 3.22Å; L55-L58 PolarHBondContact O-N 3.02Å; E56-L58 VanDerWaalsContact C-N 3.32Å; E56-L58 PolarHBondContact O-N 3.48Å; L58-A61 PolarHBondContact O-N 2.73Å; L58-K62 WeakPolarHBondContact O-CA 3.46Å; L58-K62 WeakPolarHBondContact O-CB 3.41Å; L58-K62 PolarHBondContact O-N 3Å; L58-K290 HydrophobicContact CD2-CD 4.15Å; L58-P291 VanDerWaalsContact CD1-O 3.23Å; L58-P291 WeakPolarHBondContact CD1-O 3.34Å
59	N	77.3	Confident	72.9	Confident	101 Å²	101	71.1 Å²	71.1	54%	0.54	39%	0.387	S	S	.	.	H	α-helix	trans	-66.2	-40	174.2	-74.5	-27.1	0	0	0	111.5	L55 E56 A61	L55-N59 WeakPolarHBondContact O-CB 3.37Å; L55-N59 PolarHBondContact O-N 2.96Å; L55-N59 PolarHBondContact O-ND2 3.01Å; E56-N59 PolarHBondContact O-N 2.71Å; N59-A61 VanDerWaalsContact C-N 3.33Å; N59-A61 PolarHBondContact O-N 2.76Å
60	A	75.5	Confident	74.8	Confident	61 Å²	61	63.3 Å²	63.3	50%	0.504	35%	0.351	S	S	.	.	H	α-helix	trans	-66.3	-33.4	175.1	0	0	0	0	0	112.9	E56 K57	E56-A60 PolarHBondContact O-N 2.95Å; K57-A60 PolarHBondContact O-N 3.12Å
61	A	73	Confident	76.4	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-90.7	-12.3	-179.3	0	0	0	0	0	114.2	K57 L58 N59 D63 N64 M296 W309 I311	K57-A61 WeakPolarHBondContact O-CB 3.49Å; K57-A61 PolarHBondContact O-N 3.2Å; L58-A61 PolarHBondContact O-N 2.73Å; N59-A61 VanDerWaalsContact C-N 3.33Å; N59-A61 PolarHBondContact O-N 2.76Å; A61-D63 PolarHBondContact O-N 3.31Å; A61-D63 VanDerWaalsContact O-N 3.12Å; A61-N64 WeakPolarHBondContact O-CB 3.49Å; A61-N64 PolarHBondContact O-N 2.94Å; A61-M296 HydrophobicContact CB-SD 3.55Å; A61-M296 VanDerWaalsContact CB-SD 3.55Å; A61-W309 HydrophobicContact CB-CB 3.87Å; A61-W309 HydrophobicContact CB-CG 4.32Å; A61-I311 HydrophobicContact CB-CD1 4.44Å; A61-I311 WeakPolarHBondContact O-CD1 3.47Å
62	K	69.8	Low	77.3	Confident	103 Å²	103	56.7 Å²	56.7	45%	0.448	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-40.1	-169.8	-178.2	-175	166.5	-161.4	0	112.9	L58 R288	L58-K62 WeakPolarHBondContact O-CA 3.46Å; L58-K62 WeakPolarHBondContact O-CB 3.41Å; L58-K62 PolarHBondContact O-N 3Å; K62-R288 PolarHBondContact O-NH2 3.24Å
63	D	70.1	Confident	77.9	Confident	131 Å²	131	53.6 Å²	53.6	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.9	-175.1	-58.2	-33.1	0	0	0	112.7	A61 P65	A61-D63 PolarHBondContact O-N 3.31Å; A61-D63 VanDerWaalsContact O-N 3.12Å; D63-P65 WeakPolarHBondContact O-CD 3.28Å
64	N	73.9	Confident	78.4	Confident	54 Å²	54	52.1 Å²	52.1	29%	0.289	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-70.2	126.3	175	-67.6	-5.9	0	0	0	108.5	A61 R288 W309 I311	A61-N64 WeakPolarHBondContact O-CB 3.49Å; A61-N64 PolarHBondContact O-N 2.94Å; N64-R288 VanDerWaalsContact O-CZ 3.24Å; N64-R288 PolarHBondContact O-NH1 3.01Å; N64-R288 PolarHBondContact O-NH2 3.04Å; N64-W309 PolarHBondContact ND2-O 3.35Å; N64-I311 HydrophobicContact CB-CD1 4.08Å; N64-I311 VanDerWaalsContact O-CD1 3.25Å; N64-I311 WeakPolarHBondContact O-CD1 3.42Å
65	P	75.9	Confident	78.8	Confident	96 Å²	96	51.2 Å²	51.2	62%	0.623	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-66.2	159.8	168.7	28.8	-33.2	0	0	0	109.9	D63	D63-P65 WeakPolarHBondContact O-CD 3.28Å
66	P	80	Confident	79.2	Confident	25 Å²	25	53.1 Å²	53.1	16%	0.162	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-56.6	148	168.6	-14.1	30	0	0	0	109.9	G68 I311 P313 A316 Y318	P66-G68 PolarHBondContact O-N 3.23Å; P66-I311 HydrophobicContact CB-CG2 4.4Å; P66-P313 HydrophobicContact CB-CB 3.81Å; P66-A316 HydrophobicContact CG-CB 4.46Å; P66-Y318 WeakPolarHBondContact CG-OH 3.05Å
67	S	75	Confident	79.7	Confident	27 Å²	27	51 Å²	51	19%	0.189	29%	0.285	C	S	.	.	S	Bend	trans	-70.8	30.2	-170	-56.3	0	0	0	0	115.4	L310 I311	S67-L310 WeakPolarHBondContact OG-CB 3.37Å; S67-I311 PolarHBondContact N-O 3.27Å; S67-I311 PolarHBondContact OG-O 2.85Å
68	G	81.2	Confident	80.3	Confident	31 Å²	31	49.5 Å²	49.5	32%	0.32	28%	0.279	S	S	.	.	S	Bend	trans	133.7	-150.4	175.6	0	0	0	0	0	113.3	P66	P66-G68 PolarHBondContact O-N 3.23Å
69	S	86.5	Confident	80.9	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.063	31%	0.305	C	S	.	.			trans	-71.3	151.2	177.1	176.5	0	0	0	0	112.5	L71 Y72 E276 P313 H314	S69-L71 PolarHBondContact OG-N 3.47Å; S69-Y72 VanDerWaalsContact CB-CD1 3.4Å; S69-Y72 WeakPolarHBondContact OG-CD1 3.41Å; S69-Y72 WeakPolarHBondContact OG-CE1 3.49Å; S69-E276 WeakPolarHBondContact CB-OE1 3.45Å; S69-E276 VanDerWaalsContact OG-CD 3.28Å; S69-E276 PolarHBondContact OG-OE1 2.91Å; S69-E276 PolarHBondContact OG-OE2 2.79Å; S69-P313 WeakPolarHBondContact O-CG 3.07Å; S69-H314 PolarHBondContact O-CE1 3.3Å
70	T	87.3	Confident	81.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-92.4	-9.3	174.4	74.5	0	0	0	0	112.2	G272 P273 E276 M283 P313 H314	T70-G272 VanDerWaalsContact OG1-C 3.23Å; T70-G272 PolarHBondContact OG1-O 2.94Å; T70-P273 VanDerWaalsContact OG1-CA 3.25Å; T70-P273 WeakPolarHBondContact OG1-CA 3.44Å; T70-E276 WeakPolarHBondContact CA-OE2 3.45Å; T70-E276 VanDerWaalsContact CB-OE2 3.24Å; T70-E276 WeakPolarHBondContact CB-OE2 3.15Å; T70-E276 WeakPolarHBondContact CG2-OE2 3.11Å; T70-E276 PolarHBondContact N-OE2 3.11Å; T70-E276 WeakPolarHBondContact OG1-CB 3.35Å; T70-E276 PolarHBondContact OG1-OE2 2.87Å; T70-M283 HydrophobicContact CG2-CE 3.44Å; T70-M283 VanDerWaalsContact CG2-CE 3.44Å; T70-M283 HydrophobicContact CG2-SD 4.46Å; T70-P313 HydrophobicContact CG2-CB 3.9Å; T70-P313 VanDerWaalsContact CG2-O 3.26Å; T70-P313 WeakPolarHBondContact CG2-O 3.4Å; T70-H314 WeakPolarHBondContact CA-ND1 3.35Å; T70-H314 PolarHBondContact O-CE1 2.73Å; T70-H314 PolarHBondContact O-ND1 3.06Å
71	L	90.1	Very high	81.6	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-105.6	-17.9	-177.4	-66.2	-177.1	0	0	0	114.4	S69 L82 P84 L179 P273 E276 A277 R471	S69-L71 PolarHBondContact OG-N 3.47Å; L71-L82 HydrophobicContact CD2-CD1 4.07Å; L71-P84 HydrophobicContact CB-CG 4.07Å; L71-P84 HydrophobicContact CD2-CG 4.36Å; L71-P84 WeakPolarHBondContact O-CD 3.47Å; L71-L179 HydrophobicContact CB-CD1 4.12Å; L71-P273 HydrophobicContact CD2-CB 4.37Å; L71-E276 HydrophobicContact CD1-CB 4.19Å; L71-E276 HydrophobicContact CD1-CG 3.83Å; L71-E276 HydrophobicContact CG-CB 4.07Å; L71-E276 HydrophobicContact CG-CG 3.97Å; L71-A277 HydrophobicContact CD2-CB 4.25Å; L71-R471 HydrophobicContact CD1-CG 4.49Å
72	Y	86.7	Confident	82.2	Confident	9 Å²	9	50.4 Å²	50.4	4%	0.035	29%	0.286	C	S	.	.	S	Bend	trans	-140.9	162.8	176.1	61.3	-91.4	0	0	0	111.5	S69 D74 Y172 Q175 K176 L179	S69-Y72 VanDerWaalsContact CB-CD1 3.4Å; S69-Y72 WeakPolarHBondContact OG-CD1 3.41Å; S69-Y72 WeakPolarHBondContact OG-CE1 3.49Å; Y72-D74 HydrophobicContact CE2-CB 4.23Å; Y72-D74 PolarHBondContact O-N 3.27Å; Y72-Y172 HydrophobicContact CD2-CD2 4.02Å; Y72-Y172 HydrophobicContact CD2-CE2 4.1Å; Y72-Y172 HydrophobicContact CE2-CD2 4.06Å; Y72-Y172 AromaticContact CE2-CE2 3.69Å; Y72-Y172 HydrophobicContact CE2-CE2 3.69Å; Y72-Q175 HydrophobicContact CD1-CB 4.38Å; Y72-Q175 HydrophobicContact CG-CB 4.09Å; Y72-K176 HydrophobicContact CE2-CB 4.13Å; Y72-L179 HydrophobicContact CD1-CD1 3.64Å; Y72-L179 HydrophobicContact CE1-CD1 4.47Å; Y72-L179 HydrophobicContact CG-CD1 4.39Å
73	Q	85.5	Confident	83.1	Confident	43 Å²	43	52.4 Å²	52.4	20%	0.201	29%	0.294	C	S	.	.			trans	-78	102.7	179.6	-170.1	169.2	30.1	0	0	110.7	D75 F78 P80 Y172	Q73-D75 VanDerWaalsContact CG-O 3.32Å; Q73-D75 WeakPolarHBondContact CG-O 3.39Å; Q73-D75 PolarHBondContact NE2-O 2.96Å; Q73-F78 WeakPolarHBondContact CG-O 3.48Å; Q73-F78 PolarHBondContact NE2-O 3.07Å; Q73-P80 HydrophobicContact CB-CG 4.13Å; Q73-Y172 VanDerWaalsContact O-CD2 3.29Å; Q73-Y172 WeakPolarHBondContact O-CD2 3.33Å
74	D	82.7	Confident	84.1	Confident	59 Å²	59	47.3 Å²	47.3	32%	0.316	27%	0.268	S	S	.	.			trans	-90.4	-40.2	170.9	-145	-23.1	0	0	0	111.6	Y72 Y172	Y72-D74 HydrophobicContact CE2-CB 4.23Å; Y72-D74 PolarHBondContact O-N 3.27Å; D74-Y172 HydrophobicContact CB-CE2 4.14Å; D74-Y172 WeakPolarHBondContact OD1-CE2 3.44Å; D74-Y172 PolarHBondContact OD1-OH 3.15Å
75	D	84.2	Confident	84.9	Confident	35 Å²	35	48.6 Å²	48.6	19%	0.187	28%	0.276	C	S	.	.	S	Bend	trans	-108.6	133.5	180	-164.3	-53.2	0	0	0	110.8	Q73 H77 F78 L310	Q73-D75 VanDerWaalsContact CG-O 3.32Å; Q73-D75 WeakPolarHBondContact CG-O 3.39Å; Q73-D75 PolarHBondContact NE2-O 2.96Å; D75-H77 PolarHBondContact O-N 3Å; D75-H77 WeakPolarHBondContact OD1-CB 3.3Å; D75-H77 IonicContact OD1-CE1 3.21Å; D75-H77 IonicContact OD1-CG 3.5Å; D75-H77 PolarHBondContact OD1-N 3.18Å; D75-H77 IonicContact OD1-ND1 2.74Å; D75-H77 PolarHBondContact OD1-ND1 2.99Å; D75-H77 IonicContact OD2-ND1 2.78Å; D75-F78 HydrophobicContact CB-CD2 4.14Å; D75-F78 PolarHBondContact O-N 3.3Å; D75-L310 WeakPolarHBondContact OD2-CD1 3.48Å
76	N	84.6	Confident	85.4	Confident	122 Å²	122	45.1 Å²	45.1	65%	0.652	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.5	-179.4	-75.2	-45.7	0	0	0	113.7	F78 K168	N76-F78 VanDerWaalsContact C-N 3.32Å; N76-K168 PolarHBondContact OD1-NZ 3.33Å
77	H	86.4	Confident	85.6	Confident	99 Å²	99	48.8 Å²	48.8	46%	0.458	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.2	177.6	-58.4	96.2	0	0	0	112.9	D75 L297	D75-H77 PolarHBondContact O-N 3Å; D75-H77 WeakPolarHBondContact OD1-CB 3.3Å; D75-H77 IonicContact OD1-CE1 3.21Å; D75-H77 IonicContact OD1-CG 3.5Å; D75-H77 PolarHBondContact OD1-N 3.18Å; D75-H77 IonicContact OD1-ND1 2.74Å; D75-H77 PolarHBondContact OD1-ND1 2.99Å; D75-H77 IonicContact OD2-ND1 2.78Å; H77-L297 HydrophobicContact CB-CD2 3.64Å
78	F	88.2	Confident	86.1	Confident	16 Å²	16	49.7 Å²	49.7	7%	0.07	27%	0.271	C	S	.	.	S	Bend	trans	-115.6	134.9	-178	-54.3	-54.9	0	0	0	110.5	Q73 D75 N76 L297 L310 N312	Q73-F78 WeakPolarHBondContact CG-O 3.48Å; Q73-F78 PolarHBondContact NE2-O 3.07Å; D75-F78 HydrophobicContact CB-CD2 4.14Å; D75-F78 PolarHBondContact O-N 3.3Å; N76-F78 VanDerWaalsContact C-N 3.32Å; F78-L297 HydrophobicContact CE1-CB 4.04Å; F78-L297 HydrophobicContact CE1-CD2 4.15Å; F78-L297 HydrophobicContact CZ-CB 3.97Å; F78-L297 HydrophobicContact CZ-CD2 4.34Å; F78-L310 HydrophobicContact CE2-CB 3.86Å; F78-L310 HydrophobicContact CZ-CB 3.85Å; F78-N312 HydrophobicContact CD1-CB 3.73Å; F78-N312 HydrophobicContact CD2-CB 4.49Å; F78-N312 HydrophobicContact CE1-CB 3.63Å; F78-N312 HydrophobicContact CE2-CB 4.39Å; F78-N312 HydrophobicContact CG-CB 4.18Å; F78-N312 HydrophobicContact CZ-CB 3.98Å
79	C	84.3	Confident	86.6	Confident	94 Å²	94	51.9 Å²	51.9	64%	0.635	28%	0.275	S	S	*	.			trans	-102	134.3	175.9	-70.1	0	0	0	0	109.7	H314	C79-H314 PolarHBondContact O-CD2 3.4Å; C79-H314 VanDerWaalsContact O-CD2 3.3Å
80	P	84.3	Confident	87	Confident	22 Å²	22	54.1 Å²	54.1	14%	0.143	28%	0.282	C	S	.	.			trans	-66.4	142.3	178.4	27.5	-34.1	0	0	0	110.9	Q73 F83	Q73-P80 HydrophobicContact CB-CG 4.13Å; P80-F83 HydrophobicContact CG-CE1 4.08Å
81	V	84.8	Confident	87.3	Confident	80 Å²	80	61.5 Å²	61.5	49%	0.485	32%	0.317	S	S	.	.	S	Bend	trans	-93.1	-15.2	179.4	-169.9	0	0	0	0	111.3	H314 H334	V81-H314 HydrophobicContact CG2-CB 3.87Å; V81-H334 PolarHBondContact O-CE1 3.25Å; V81-H334 PolarHBondContact O-NE2 2.65Å
82	L	85.1	Confident	87.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.328	C	S	.	.			trans	-120.2	150.3	175.7	-73.8	171.4	0	0	0	109.9	L71 P273 M333 H334 M473	L71-L82 HydrophobicContact CD2-CD1 4.07Å; L82-P273 HydrophobicContact CD1-CB 3.48Å; L82-P273 VanDerWaalsContact CD1-CB 3.48Å; L82-P273 HydrophobicContact CG-CB 4.33Å; L82-M333 HydrophobicContact CD1-CG 4.16Å; L82-M333 HydrophobicContact CD1-SD 3.8Å; L82-M333 HydrophobicContact CD2-CG 3.92Å; L82-M333 HydrophobicContact CD2-SD 4.38Å; L82-M333 HydrophobicContact CG-CG 4.45Å; L82-M333 HydrophobicContact CG-SD 4.29Å; L82-H334 VanDerWaalsContact CD2-CE1 3.44Å; L82-H334 WeakPolarHBondContact CD2-CE1 3.46Å; L82-H334 WeakPolarHBondContact CD2-NE2 3.04Å; L82-M473 HydrophobicContact CD2-CB 4.11Å; L82-M473 HydrophobicContact CD2-CG 4.04Å
83	F	88.4	Confident	88	Confident	144 Å²	144	63 Å²	63	63%	0.632	33%	0.328	S	S	*	.			trans	-127.4	83.4	173.1	-60.7	-81.5	0	0	0	107.8	P80 M473	P80-F83 HydrophobicContact CG-CE1 4.08Å; F83-M473 VanDerWaalsContact O-CE 3.31Å; F83-M473 WeakPolarHBondContact O-CE 3.37Å
84	P	90.4	Very high	88.5	Confident	24 Å²	24	65.4 Å²	65.4	16%	0.156	34%	0.335	C	S	.	.			trans	-51.8	143.3	-178.6	-28.6	36.1	0	0	0	113.1	L71 P86 L179 R470 R471	L71-P84 HydrophobicContact CB-CG 4.07Å; L71-P84 HydrophobicContact CD2-CG 4.36Å; L71-P84 WeakPolarHBondContact O-CD 3.47Å; P84-P86 WeakPolarHBondContact O-CD 3.37Å; P84-L179 HydrophobicContact CB-CD2 3.71Å; P84-L179 HydrophobicContact CG-CD1 4.28Å; P84-L179 HydrophobicContact CG-CD2 4.16Å; P84-R470 WeakPolarHBondContact CA-O 3.15Å; P84-R471 HydrophobicContact CB-CG 4.37Å
85	D	90.7	Very high	89.1	Confident	82 Å²	82	66.4 Å²	66.4	44%	0.439	34%	0.344	S	S	.	.			trans	-123.1	64.6	177.6	-171.9	29.6	0	0	0	112.3	R470 M473 Y489	D85-R470 PolarHBondContact N-O 3.46Å; D85-R470 VanDerWaalsContact O-CD 3.26Å; D85-R470 WeakPolarHBondContact O-CD 3.49Å; D85-R470 WeakPolarHBondContact O-CG 3.46Å; D85-R470 PolarHBondContact O-NH1 2.84Å; D85-M473 HydrophobicContact CB-SD 4.35Å; D85-Y489 HydrophobicContact CB-CE2 4.4Å; D85-Y489 VanDerWaalsContact CB-OH 3.3Å; D85-Y489 WeakPolarHBondContact CB-OH 3.35Å; D85-Y489 PolarHBondContact OD2-OH 3.06Å
86	P	86.6	Confident	89.7	Confident	22 Å²	22	64.7 Å²	64.7	14%	0.143	34%	0.335	C	S	.	.			trans	-67.5	141.4	-179.8	28.3	-34.9	0	0	0	112.5	P84 F88 L179	P84-P86 WeakPolarHBondContact O-CD 3.37Å; P86-F88 HydrophobicContact CB-CE1 4.21Å; P86-F88 HydrophobicContact CB-CE2 4.08Å; P86-F88 HydrophobicContact CB-CZ 3.73Å; P86-F88 HydrophobicContact CG-CE1 4.28Å; P86-F88 HydrophobicContact CG-CE2 3.58Å; P86-F88 HydrophobicContact CG-CZ 3.35Å; P86-L179 HydrophobicContact CG-CD2 4.06Å
87	I	85.3	Confident	90.2	Very high	103 Å²	103	58.9 Å²	58.9	53%	0.528	30%	0.304	S	S	.	.			trans	-88	132.3	168.5	-73.1	178.3	0	0	0	109.6	R470	I87-R470 VanDerWaalsContact CG1-CZ 3.43Å
88	F	84.8	Confident	90.6	Very high	46 Å²	46	58.2 Å²	58.2	20%	0.202	30%	0.303	C	S	.	.			trans	-111	95.2	176.5	-59.5	-71.5	0	0	0	111.3	P86 W90 I93 F174 L181	P86-F88 HydrophobicContact CB-CE1 4.21Å; P86-F88 HydrophobicContact CB-CE2 4.08Å; P86-F88 HydrophobicContact CB-CZ 3.73Å; P86-F88 HydrophobicContact CG-CE1 4.28Å; P86-F88 HydrophobicContact CG-CE2 3.58Å; P86-F88 HydrophobicContact CG-CZ 3.35Å; F88-W90 HydrophobicContact CB-CD2 3.98Å; F88-W90 HydrophobicContact CB-CE3 4.1Å; F88-W90 HydrophobicContact CB-CH2 3.58Å; F88-W90 HydrophobicContact CB-CZ2 3.46Å; F88-W90 VanDerWaalsContact CB-CZ2 3.46Å; F88-W90 HydrophobicContact CB-CZ3 3.91Å; F88-W90 HydrophobicContact CD1-CE3 4.46Å; F88-W90 AromaticContact CD1-CH2 3.55Å; F88-W90 HydrophobicContact CD1-CH2 3.55Å; F88-W90 HydrophobicContact CD1-CZ2 4.3Å; F88-W90 AromaticContact CD1-CZ3 3.64Å; F88-W90 HydrophobicContact CD1-CZ3 3.64Å; F88-W90 HydrophobicContact CD2-CH2 4.05Å; F88-W90 HydrophobicContact CD2-CZ2 4.19Å; F88-W90 HydrophobicContact CE1-CH2 4.23Å; F88-W90 HydrophobicContact CE1-CZ3 4.43Å; F88-W90 AromaticContact CG-CH2 3.44Å; F88-W90 HydrophobicContact CG-CH2 3.44Å; F88-W90 VanDerWaalsContact CG-CH2 3.44Å; F88-W90 AromaticContact CG-CZ2 3.74Å; F88-W90 HydrophobicContact CG-CZ2 3.74Å; F88-W90 AromaticContact CG-CZ3 3.91Å; F88-W90 HydrophobicContact CG-CZ3 3.91Å; F88-I93 HydrophobicContact CB-CD1 4.22Å; F88-I93 HydrophobicContact CD1-CD1 3.73Å; F88-I93 HydrophobicContact CG-CD1 4.47Å; F88-F174 HydrophobicContact CD2-CZ 4.06Å; F88-F174 AromaticContact CE2-CE1 3.92Å; F88-F174 HydrophobicContact CE2-CE1 3.92Å; F88-F174 AromaticContact CE2-CZ 3.49Å; F88-F174 HydrophobicContact CE2-CZ 3.49Å; F88-F174 VanDerWaalsContact CE2-CZ 3.49Å; F88-F174 HydrophobicContact CZ-CE1 4.24Å; F88-F174 AromaticContact CZ-CZ 3.84Å; F88-F174 HydrophobicContact CZ-CZ 3.84Å; F88-L181 HydrophobicContact CD1-CD1 4.41Å; F88-L181 HydrophobicContact CE1-CD1 4.15Å
89	N	92.2	Very high	90.9	Very high	76 Å²	76	58 Å²	58	41%	0.406	30%	0.304	S	S	.	.			trans	-88.9	94.8	158.1	-176.7	-26.2	0	0	0	107.9	E91 S92 I93 I184	N89-E91 VanDerWaalsContact C-N 3.26Å; N89-E91 PolarHBondContact O-N 2.88Å; N89-E91 PolarHBondContact OD1-N 3.29Å; N89-S92 PolarHBondContact ND2-OG 2.86Å; N89-S92 VanDerWaalsContact ND2-OG 3.14Å; N89-S92 PolarHBondContact O-N 3.27Å; N89-S92 PolarHBondContact OD1-N 3.35Å; N89-S92 PolarHBondContact OD1-OG 2.7Å; N89-I93 WeakPolarHBondContact O-CB 3.49Å; N89-I93 VanDerWaalsContact O-CG1 3.26Å; N89-I93 WeakPolarHBondContact O-CG1 3.06Å; N89-I93 PolarHBondContact O-N 3.08Å; N89-I184 HydrophobicContact CB-CD1 4.24Å
90	W	93.9	Very high	91.4	Very high	56 Å²	56	54 Å²	54	21%	0.212	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-33.8	-171.2	-61.5	121.3	0	0	0	114.1	F88 I93 R94 I108 I111 I112 K115 F174 L181	F88-W90 HydrophobicContact CB-CD2 3.98Å; F88-W90 HydrophobicContact CB-CE3 4.1Å; F88-W90 HydrophobicContact CB-CH2 3.58Å; F88-W90 HydrophobicContact CB-CZ2 3.46Å; F88-W90 VanDerWaalsContact CB-CZ2 3.46Å; F88-W90 HydrophobicContact CB-CZ3 3.91Å; F88-W90 HydrophobicContact CD1-CE3 4.46Å; F88-W90 AromaticContact CD1-CH2 3.55Å; F88-W90 HydrophobicContact CD1-CH2 3.55Å; F88-W90 HydrophobicContact CD1-CZ2 4.3Å; F88-W90 AromaticContact CD1-CZ3 3.64Å; F88-W90 HydrophobicContact CD1-CZ3 3.64Å; F88-W90 HydrophobicContact CD2-CH2 4.05Å; F88-W90 HydrophobicContact CD2-CZ2 4.19Å; F88-W90 HydrophobicContact CE1-CH2 4.23Å; F88-W90 HydrophobicContact CE1-CZ3 4.43Å; F88-W90 AromaticContact CG-CH2 3.44Å; F88-W90 HydrophobicContact CG-CH2 3.44Å; F88-W90 VanDerWaalsContact CG-CH2 3.44Å; F88-W90 AromaticContact CG-CZ2 3.74Å; F88-W90 HydrophobicContact CG-CZ2 3.74Å; F88-W90 AromaticContact CG-CZ3 3.91Å; F88-W90 HydrophobicContact CG-CZ3 3.91Å; W90-I93 HydrophobicContact CE3-CD1 4.34Å; W90-R94 WeakPolarHBondContact O-CB 3.38Å; W90-R94 PolarHBondContact O-N 3.48Å; W90-I108 HydrophobicContact CE3-CG2 4.38Å; W90-I111 HydrophobicContact CH2-CG2 3.79Å; W90-I111 HydrophobicContact CZ3-CG2 3.89Å; W90-I112 HydrophobicContact CB-CD1 3.89Å; W90-I112 HydrophobicContact CB-CG1 4.28Å; W90-I112 HydrophobicContact CD2-CD1 4.15Å; W90-I112 HydrophobicContact CD2-CG1 3.53Å; W90-I112 HydrophobicContact CE3-CG1 3.88Å; W90-I112 HydrophobicContact CG-CD1 3.86Å; W90-I112 HydrophobicContact CG-CG1 3.71Å; W90-I112 HydrophobicContact CZ2-CG1 4.44Å; W90-I112 HydrophobicContact CZ3-CG1 4.48Å; W90-K115 HydrophobicContact CZ2-CB 4.16Å; W90-K115 HydrophobicContact CZ2-CG 4.17Å; W90-F174 HydrophobicContact CH2-CE2 4.05Å; W90-F174 HydrophobicContact CH2-CZ 4.34Å; W90-F174 HydrophobicContact CZ2-CE2 4.49Å; W90-L181 HydrophobicContact CZ3-CD1 4.21Å
91	E	95	Very high	91.9	Very high	156 Å²	156	60.3 Å²	60.3	73%	0.729	30%	0.297	S	S	*	.	H	α-helix	trans	-70.8	-48.9	178.6	-172	165.8	-165.2	0	0	110.7	N89 I93 R94 T95	N89-E91 VanDerWaalsContact C-N 3.26Å; N89-E91 PolarHBondContact O-N 2.88Å; N89-E91 PolarHBondContact OD1-N 3.29Å; E91-I93 VanDerWaalsContact C-N 3.31Å; E91-I93 PolarHBondContact O-N 3.14Å; E91-R94 PolarHBondContact O-N 3.08Å; E91-T95 PolarHBondContact O-N 3.3Å; E91-T95 PolarHBondContact O-OG1 2.9Å
92	S	95.3	Very high	92.3	Very high	37 Å²	37	58.3 Å²	58.3	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-37.3	175.4	-55.7	0	0	0	0	112.7	N89 T95 S96	N89-S92 PolarHBondContact ND2-OG 2.86Å; N89-S92 VanDerWaalsContact ND2-OG 3.14Å; N89-S92 PolarHBondContact O-N 3.27Å; N89-S92 PolarHBondContact OD1-N 3.35Å; N89-S92 PolarHBondContact OD1-OG 2.7Å; S92-T95 PolarHBondContact O-N 3.45Å; S92-S96 WeakPolarHBondContact O-CB 2.89Å; S92-S96 PolarHBondContact O-N 2.89Å
93	I	96	Very high	92.4	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.036	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-43	174.7	-70.6	169.3	0	0	0	110.5	F88 N89 W90 E91 T95 S96 V97 I108 L181 I184	F88-I93 HydrophobicContact CB-CD1 4.22Å; F88-I93 HydrophobicContact CD1-CD1 3.73Å; F88-I93 HydrophobicContact CG-CD1 4.47Å; N89-I93 WeakPolarHBondContact O-CB 3.49Å; N89-I93 VanDerWaalsContact O-CG1 3.26Å; N89-I93 WeakPolarHBondContact O-CG1 3.06Å; N89-I93 PolarHBondContact O-N 3.08Å; W90-I93 HydrophobicContact CE3-CD1 4.34Å; E91-I93 VanDerWaalsContact C-N 3.31Å; E91-I93 PolarHBondContact O-N 3.14Å; I93-T95 VanDerWaalsContact C-N 3.33Å; I93-T95 PolarHBondContact O-N 3.08Å; I93-S96 PolarHBondContact O-N 2.75Å; I93-V97 HydrophobicContact CG2-CG2 4.14Å; I93-V97 WeakPolarHBondContact O-CB 3.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.34Å; I93-V97 PolarHBondContact O-N 2.77Å; I93-I108 HydrophobicContact CG2-CD1 4.3Å; I93-L181 HydrophobicContact CG2-CD1 4.17Å; I93-L181 HydrophobicContact CG2-CD2 4.17Å; I93-I184 HydrophobicContact CG1-CG1 4.19Å
94	R	95.8	Very high	92.5	Very high	93 Å²	93	65.6 Å²	65.6	35%	0.351	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-45.2	176	-173.3	178.1	-60.9	-117.5	2.2	111.4	W90 E91 S96 V97 N98 I108 D109	W90-R94 WeakPolarHBondContact O-CB 3.38Å; W90-R94 PolarHBondContact O-N 3.48Å; E91-R94 PolarHBondContact O-N 3.08Å; R94-S96 PolarHBondContact O-N 3.34Å; R94-V97 PolarHBondContact O-N 2.88Å; R94-N98 WeakPolarHBondContact O-CB 3.32Å; R94-N98 VanDerWaalsContact O-CG 3.22Å; R94-N98 PolarHBondContact O-N 3.34Å; R94-N98 PolarHBondContact O-ND2 2.86Å; R94-I108 VanDerWaalsContact CA-CD1 3.4Å; R94-I108 HydrophobicContact CB-CD1 3.78Å; R94-I108 HydrophobicContact CG-CD1 4.04Å; R94-D109 IonicContact CZ-OD1 3.16Å; R94-D109 IonicContact CZ-OD2 3.83Å; R94-D109 IonicContact NH1-OD1 3.14Å; R94-D109 IonicContact NH1-OD2 2.69Å; R94-D109 PolarHBondContact NH1-OD2 3.47Å; R94-D109 VanDerWaalsContact NH1-OD2 3.07Å; R94-D109 VanDerWaalsContact NH2-CG 3.26Å; R94-D109 IonicContact NH2-OD1 3.83Å; R94-D109 PolarHBondContact NH2-OD1 2.95Å; R94-D109 IonicContact NH2-OD2 3.45Å; R94-D109 PolarHBondContact NH2-OD2 3.06Å
95	T	95.2	Very high	92.5	Very high	80 Å²	80	72 Å²	72	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-46.7	174.3	-59.1	0	0	0	0	111.6	E91 S92 I93 N98 A99 I185	E91-T95 PolarHBondContact O-N 3.3Å; E91-T95 PolarHBondContact O-OG1 2.9Å; S92-T95 PolarHBondContact O-N 3.45Å; I93-T95 VanDerWaalsContact C-N 3.33Å; I93-T95 PolarHBondContact O-N 3.08Å; T95-N98 PolarHBondContact O-N 3.13Å; T95-A99 WeakPolarHBondContact O-CB 3.39Å; T95-A99 PolarHBondContact O-N 3.49Å; T95-I185 HydrophobicContact CG2-CD1 4.45Å
96	S	96.2	Very high	92.5	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-48.5	178.1	-177.5	0	0	0	0	112.8	S92 I93 R94 N98 A99 R100 N183	S92-S96 WeakPolarHBondContact O-CB 2.89Å; S92-S96 PolarHBondContact O-N 2.89Å; I93-S96 PolarHBondContact O-N 2.75Å; R94-S96 PolarHBondContact O-N 3.34Å; S96-N98 VanDerWaalsContact C-N 3.29Å; S96-N98 PolarHBondContact O-N 3.08Å; S96-A99 PolarHBondContact O-N 2.67Å; S96-R100 WeakPolarHBondContact O-CB 3.05Å; S96-R100 VanDerWaalsContact O-CG 3.23Å; S96-R100 WeakPolarHBondContact O-CG 3.49Å; S96-R100 PolarHBondContact O-N 3.05Å; S96-R100 PolarHBondContact OG-NE 2.9Å; S96-R100 VanDerWaalsContact OG-NE 3.14Å; S96-N183 PolarHBondContact OG-O 2.69Å
97	V	95.9	Very high	92.7	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-40	178.8	166.3	0	0	0	0	111.3	I93 R94 R101 M102 H103 F106 I108 L181 P182	I93-V97 HydrophobicContact CG2-CG2 4.14Å; I93-V97 WeakPolarHBondContact O-CB 3.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.34Å; I93-V97 PolarHBondContact O-N 2.77Å; R94-V97 PolarHBondContact O-N 2.88Å; V97-R101 PolarHBondContact O-N 2.69Å; V97-M102 HydrophobicContact CG1-CB 4.07Å; V97-M102 PolarHBondContact O-N 3.36Å; V97-H103 HydrophobicContact CG1-CB 4.41Å; V97-F106 HydrophobicContact CG1-CB 4.42Å; V97-F106 HydrophobicContact CG1-CD2 4.39Å; V97-F106 HydrophobicContact CG2-CD2 4.44Å; V97-I108 HydrophobicContact CB-CD1 4.05Å; V97-I108 HydrophobicContact CG1-CD1 4.24Å; V97-I108 HydrophobicContact CG2-CD1 4.1Å; V97-L181 HydrophobicContact CG2-CD2 4.17Å; V97-P182 HydrophobicContact CG2-CG 3.88Å
98	N	94.7	Very high	93.1	Very high	85 Å²	85	67.4 Å²	67.4	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-67.6	-48.6	176.8	-73.3	-17.5	0	0	0	111.8	R94 T95 S96 R100 R101 H103	R94-N98 WeakPolarHBondContact O-CB 3.32Å; R94-N98 VanDerWaalsContact O-CG 3.22Å; R94-N98 PolarHBondContact O-N 3.34Å; R94-N98 PolarHBondContact O-ND2 2.86Å; T95-N98 PolarHBondContact O-N 3.13Å; S96-N98 VanDerWaalsContact C-N 3.29Å; S96-N98 PolarHBondContact O-N 3.08Å; N98-R100 VanDerWaalsContact C-N 3.26Å; N98-R100 PolarHBondContact O-N 3.01Å; N98-R101 WeakPolarHBondContact O-CA 3.49Å; N98-R101 PolarHBondContact O-N 3.49Å; N98-H103 WeakPolarHBondContact OD1-CB 3.42Å
99	A	94.3	Very high	93.6	Very high	10 Å²	10	69.6 Å²	69.6	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-36.1	179.1	0	0	0	0	0	112.4	T95 S96 R101 I185 V191 A429	T95-A99 WeakPolarHBondContact O-CB 3.39Å; T95-A99 PolarHBondContact O-N 3.49Å; S96-A99 PolarHBondContact O-N 2.67Å; A99-R101 PolarHBondContact O-N 2.93Å; A99-I185 HydrophobicContact CB-CD1 3.54Å; A99-V191 HydrophobicContact CB-CG1 3.91Å; A99-V191 HydrophobicContact CB-CG2 3.94Å; A99-A429 HydrophobicContact CB-CB 3.88Å
100	R	94.7	Very high	93.7	Very high	12 Å²	12	71.4 Å²	71.4	5%	0.045	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	0.9	174.4	-65.6	175.1	-173.8	-104	8	114.2	S96 N98 M102 N183 A429 L432 Y433 E436	S96-R100 WeakPolarHBondContact O-CB 3.05Å; S96-R100 VanDerWaalsContact O-CG 3.23Å; S96-R100 WeakPolarHBondContact O-CG 3.49Å; S96-R100 PolarHBondContact O-N 3.05Å; S96-R100 PolarHBondContact OG-NE 2.9Å; S96-R100 VanDerWaalsContact OG-NE 3.14Å; N98-R100 VanDerWaalsContact C-N 3.26Å; N98-R100 PolarHBondContact O-N 3.01Å; R100-M102 HydrophobicContact CB-CG 3.87Å; R100-M102 HydrophobicContact CB-SD 4.07Å; R100-M102 WeakPolarHBondContact O-CG 3.2Å; R100-M102 PolarHBondContact O-N 3.1Å; R100-N183 PolarHBondContact NH2-O 2.86Å; R100-N183 VanDerWaalsContact NH2-O 3.11Å; R100-A429 WeakPolarHBondContact CG-O 3.42Å; R100-L432 VanDerWaalsContact NH1-CB 3.27Å; R100-L432 PolarHBondContact NH1-O 3.29Å; R100-L432 VanDerWaalsContact NH1-O 3.08Å; R100-Y433 PolarHBondContact NH1-O 3.38Å; R100-E436 PolarHBondContact NH2-O 3.26Å
101	R	93.7	Very high	93.7	Very high	153 Å²	153	68.9 Å²	68.9	58%	0.577	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	29.3	-177.1	-48.5	-178.5	-170	176.9	8.2	113.9	V97 N98 A99 E428	V97-R101 PolarHBondContact O-N 2.69Å; N98-R101 WeakPolarHBondContact O-CA 3.49Å; N98-R101 PolarHBondContact O-N 3.49Å; A99-R101 PolarHBondContact O-N 2.93Å; R101-E428 IonicContact CZ-OE1 2.66Å; R101-E428 IonicContact NE-OE1 3.37Å; R101-E428 IonicContact NH2-OE1 3.9Å; R101-E428 PolarHBondContact NH2-OE1 2.96Å; R101-E428 IonicContact NH2-OE2 3.37Å
102	M	93.2	Very high	93.7	Very high	39 Å²	39	62.8 Å²	62.8	19%	0.192	29%	0.292	C	S	.	.			trans	-98.3	5.1	-178.2	-60.1	-177.3	86.3	0	0	114	V97 R100 K104 R105 F106 P182	V97-M102 HydrophobicContact CG1-CB 4.07Å; V97-M102 PolarHBondContact O-N 3.36Å; R100-M102 HydrophobicContact CB-CG 3.87Å; R100-M102 HydrophobicContact CB-SD 4.07Å; R100-M102 WeakPolarHBondContact O-CG 3.2Å; R100-M102 PolarHBondContact O-N 3.1Å; M102-K104 PolarHBondContact O-N 3.45Å; M102-K104 VanDerWaalsContact O-N 3.11Å; M102-R105 WeakPolarHBondContact O-CB 3.33Å; M102-R105 PolarHBondContact O-N 3.21Å; M102-F106 HydrophobicContact CB-CD2 4.14Å; M102-F106 HydrophobicContact CB-CE2 4.35Å; M102-F106 HydrophobicContact CE-CE2 3.58Å; M102-F106 HydrophobicContact CE-CZ 4.34Å; M102-F106 PolarHBondContact O-N 3.37Å; M102-F106 HydrophobicContact SD-CE2 4.29Å; M102-P182 HydrophobicContact SD-CB 4.44Å; M102-P182 HydrophobicContact SD-CG 4.06Å
103	H	88.6	Confident	93.7	Very high	102 Å²	102	64.8 Å²	64.8	47%	0.472	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.6	-175.6	63.1	-90.4	0	0	0	114.9	V97 N98	V97-H103 HydrophobicContact CG1-CB 4.41Å; N98-H103 WeakPolarHBondContact OD1-CB 3.42Å
104	K	89.8	Confident	93.7	Very high	194 Å²	194	65 Å²	65	84%	0.843	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-25.3	173	-65.7	-175.7	179.8	178.2	0	113.1	M102	M102-K104 PolarHBondContact O-N 3.45Å; M102-K104 VanDerWaalsContact O-N 3.11Å
105	R	90.2	Very high	93.6	Very high	158 Å²	158	62.8 Å²	62.8	60%	0.596	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-36.7	-179	179.8	176	173.5	173.2	-2.7	111.7	M102	M102-R105 WeakPolarHBondContact O-CB 3.33Å; M102-R105 PolarHBondContact O-N 3.21Å
106	F	90.9	Very high	93.6	Very high	10 Å²	10	65.6 Å²	65.6	4%	0.044	30%	0.299	C	S	.	.			trans	-115.8	123.8	-174	-62.5	-68.7	0	0	0	112	V97 M102 I108 H180 L181	V97-F106 HydrophobicContact CG1-CB 4.42Å; V97-F106 HydrophobicContact CG1-CD2 4.39Å; V97-F106 HydrophobicContact CG2-CD2 4.44Å; M102-F106 HydrophobicContact CB-CD2 4.14Å; M102-F106 HydrophobicContact CB-CE2 4.35Å; M102-F106 HydrophobicContact CE-CE2 3.58Å; M102-F106 HydrophobicContact CE-CZ 4.34Å; M102-F106 PolarHBondContact O-N 3.37Å; M102-F106 HydrophobicContact SD-CE2 4.29Å; F106-I108 PolarHBondContact O-N 2.94Å; F106-H180 HydrophobicContact CE1-CB 3.92Å; F106-H180 HydrophobicContact CZ-CB 3.99Å; F106-H180 VanDerWaalsContact CZ-O 3.23Å; F106-H180 WeakPolarHBondContact CZ-O 3.44Å; F106-L181 HydrophobicContact CB-CD2 4.16Å; F106-L181 HydrophobicContact CD1-CD2 3.94Å; F106-L181 HydrophobicContact CD2-CD2 4.21Å; F106-L181 HydrophobicContact CE1-CD2 4.36Å; F106-L181 HydrophobicContact CG-CD2 3.85Å
107	N	92	Very high	93.6	Very high	92 Å²	92	69.7 Å²	69.7	49%	0.492	32%	0.318	S	S	.	.			trans	-92.9	91.7	166.9	-174	-24.3	0	0	0	109.3	D109 K110 I111	N107-D109 VanDerWaalsContact C-N 3.29Å; N107-D109 PolarHBondContact O-N 3.4Å; N107-D109 PolarHBondContact OD1-N 2.82Å; N107-K110 HydrophobicContact CB-CB 4.05Å; N107-K110 WeakPolarHBondContact O-CB 3.3Å; N107-K110 PolarHBondContact O-N 3.38Å; N107-K110 PolarHBondContact OD1-N 3.41Å; N107-I111 WeakPolarHBondContact O-CG1 3.34Å; N107-I111 PolarHBondContact O-N 2.98Å
108	I	93.6	Very high	93.6	Very high	9 Å²	9	69.8 Å²	69.8	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-37.2	-176.2	-63.6	177.7	0	0	0	111.6	W90 I93 R94 V97 F106 K110 I111 I112	W90-I108 HydrophobicContact CE3-CG2 4.38Å; I93-I108 HydrophobicContact CG2-CD1 4.3Å; R94-I108 VanDerWaalsContact CA-CD1 3.4Å; R94-I108 HydrophobicContact CB-CD1 3.78Å; R94-I108 HydrophobicContact CG-CD1 4.04Å; V97-I108 HydrophobicContact CB-CD1 4.05Å; V97-I108 HydrophobicContact CG1-CD1 4.24Å; V97-I108 HydrophobicContact CG2-CD1 4.1Å; F106-I108 PolarHBondContact O-N 2.94Å; I108-K110 VanDerWaalsContact C-N 3.32Å; I108-K110 PolarHBondContact O-N 3.48Å; I108-I111 PolarHBondContact O-N 2.95Å; I108-I111 VanDerWaalsContact O-N 3.14Å; I108-I112 HydrophobicContact CG2-CD1 3.82Å; I108-I112 HydrophobicContact CG2-CG1 4.25Å; I108-I112 VanDerWaalsContact O-CG1 3.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.22Å; I108-I112 PolarHBondContact O-N 2.79Å
109	D	94	Very high	93.5	Very high	92 Å²	92	68.5 Å²	68.5	49%	0.492	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-39.9	179.4	-67.8	-54.9	0	0	0	111.6	R94 N107 I112 D113	R94-D109 IonicContact CZ-OD1 3.16Å; R94-D109 IonicContact CZ-OD2 3.83Å; R94-D109 IonicContact NH1-OD1 3.14Å; R94-D109 IonicContact NH1-OD2 2.69Å; R94-D109 PolarHBondContact NH1-OD2 3.47Å; R94-D109 VanDerWaalsContact NH1-OD2 3.07Å; R94-D109 VanDerWaalsContact NH2-CG 3.26Å; R94-D109 IonicContact NH2-OD1 3.83Å; R94-D109 PolarHBondContact NH2-OD1 2.95Å; R94-D109 IonicContact NH2-OD2 3.45Å; R94-D109 PolarHBondContact NH2-OD2 3.06Å; N107-D109 VanDerWaalsContact C-N 3.29Å; N107-D109 PolarHBondContact O-N 3.4Å; N107-D109 PolarHBondContact OD1-N 2.82Å; D109-I112 PolarHBondContact O-N 2.87Å; D109-D113 PolarHBondContact O-N 2.76Å
110	K	94.2	Very high	93.6	Very high	115 Å²	115	69.1 Å²	69.1	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-41.8	172.6	-174.2	-175.2	176	-169.5	0	112	N107 I108 D113 L114	N107-K110 HydrophobicContact CB-CB 4.05Å; N107-K110 WeakPolarHBondContact O-CB 3.3Å; N107-K110 PolarHBondContact O-N 3.38Å; N107-K110 PolarHBondContact OD1-N 3.41Å; I108-K110 VanDerWaalsContact C-N 3.32Å; I108-K110 PolarHBondContact O-N 3.48Å; K110-D113 PolarHBondContact O-N 3.27Å; K110-L114 WeakPolarHBondContact O-CG 3.22Å; K110-L114 PolarHBondContact O-N 3.03Å
111	I	94.7	Very high	93.6	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-66.6	-39.7	179.6	-60.2	169.2	0	0	0	110.8	W90 N107 I108 D113 L114 K115 F174 E177 L181	W90-I111 HydrophobicContact CH2-CG2 3.79Å; W90-I111 HydrophobicContact CZ3-CG2 3.89Å; N107-I111 WeakPolarHBondContact O-CG1 3.34Å; N107-I111 PolarHBondContact O-N 2.98Å; I108-I111 PolarHBondContact O-N 2.95Å; I108-I111 VanDerWaalsContact O-N 3.14Å; I111-D113 VanDerWaalsContact C-N 3.33Å; I111-L114 PolarHBondContact O-N 3.09Å; I111-K115 PolarHBondContact O-N 3.42Å; I111-F174 HydrophobicContact CG2-CD2 4.04Å; I111-F174 HydrophobicContact CG2-CE2 3.77Å; I111-E177 HydrophobicContact CD1-CB 3.84Å; I111-E177 HydrophobicContact CG1-CB 3.83Å; I111-L181 HydrophobicContact CD1-CD1 4.18Å; I111-L181 HydrophobicContact CD1-CD2 4.16Å; I111-L181 HydrophobicContact CD1-CG 4.38Å
112	I	95.1	Very high	93.7	Very high	28 Å²	28	67.8 Å²	67.8	14%	0.144	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-43	174.3	-68.1	166.9	0	0	0	110.5	W90 I108 D109 K115 K116	W90-I112 HydrophobicContact CB-CD1 3.89Å; W90-I112 HydrophobicContact CB-CG1 4.28Å; W90-I112 HydrophobicContact CD2-CD1 4.15Å; W90-I112 HydrophobicContact CD2-CG1 3.53Å; W90-I112 HydrophobicContact CE3-CG1 3.88Å; W90-I112 HydrophobicContact CG-CD1 3.86Å; W90-I112 HydrophobicContact CG-CG1 3.71Å; W90-I112 HydrophobicContact CZ2-CG1 4.44Å; W90-I112 HydrophobicContact CZ3-CG1 4.48Å; I108-I112 HydrophobicContact CG2-CD1 3.82Å; I108-I112 HydrophobicContact CG2-CG1 4.25Å; I108-I112 VanDerWaalsContact O-CG1 3.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.22Å; I108-I112 PolarHBondContact O-N 2.79Å; D109-I112 PolarHBondContact O-N 2.87Å; I112-K115 WeakPolarHBondContact O-CB 3.41Å; I112-K115 PolarHBondContact O-N 3Å; I112-K116 HydrophobicContact CG2-CD 4.43Å; I112-K116 WeakPolarHBondContact O-CG 3.17Å; I112-K116 PolarHBondContact O-N 3.35Å
113	D	95.8	Very high	93.8	Very high	80 Å²	80	72.7 Å²	72.7	43%	0.428	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-45.3	178.2	-168.3	62.1	0	0	0	111.8	D109 K110 I111 K115 K116 Q117	D109-D113 PolarHBondContact O-N 2.76Å; K110-D113 PolarHBondContact O-N 3.27Å; I111-D113 VanDerWaalsContact C-N 3.33Å; D113-K115 VanDerWaalsContact C-N 3.27Å; D113-K115 PolarHBondContact O-N 3.31Å; D113-K116 PolarHBondContact O-N 2.87Å; D113-K116 VanDerWaalsContact O-N 3.13Å; D113-Q117 WeakPolarHBondContact O-CG 3.29Å; D113-Q117 PolarHBondContact O-N 2.87Å; D113-Q117 PolarHBondContact OD2-NE2 3.45Å
114	L	95.2	Very high	94.2	Very high	10 Å²	10	72.6 Å²	72.6	5%	0.052	34%	0.338	C	S	.	.	H	α-helix	trans	-55	-43.8	172.1	-73.6	172.1	0	0	0	111.6	K110 I111 K116 Q117 I118 L170 E173 F174	K110-L114 WeakPolarHBondContact O-CG 3.22Å; K110-L114 PolarHBondContact O-N 3.03Å; I111-L114 PolarHBondContact O-N 3.09Å; L114-K116 PolarHBondContact O-N 3.09Å; L114-Q117 PolarHBondContact O-N 2.98Å; L114-I118 WeakPolarHBondContact O-CB 3.38Å; L114-I118 VanDerWaalsContact O-CG1 3.28Å; L114-I118 WeakPolarHBondContact O-CG1 3.31Å; L114-I118 PolarHBondContact O-N 3.36Å; L114-L170 HydrophobicContact CD2-CD2 3.8Å; L114-E173 HydrophobicContact CD1-CB 4.33Å; L114-E173 HydrophobicContact CD2-CB 4.47Å; L114-F174 HydrophobicContact CB-CB 4.39Å; L114-F174 HydrophobicContact CB-CD2 4.21Å
115	K	94.3	Very high	94.4	Very high	48 Å²	48	64 Å²	64	21%	0.209	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-44	177.5	-178.3	54.4	176.4	150.2	0	112.2	W90 I111 I112 D113 Q117 I118 D119 F174	W90-K115 HydrophobicContact CZ2-CB 4.16Å; W90-K115 HydrophobicContact CZ2-CG 4.17Å; I111-K115 PolarHBondContact O-N 3.42Å; I112-K115 WeakPolarHBondContact O-CB 3.41Å; I112-K115 PolarHBondContact O-N 3Å; D113-K115 VanDerWaalsContact C-N 3.27Å; D113-K115 PolarHBondContact O-N 3.31Å; K115-Q117 PolarHBondContact O-N 3.11Å; K115-I118 WeakPolarHBondContact O-CB 3.41Å; K115-I118 PolarHBondContact O-N 2.85Å; K115-D119 WeakPolarHBondContact CE-OD2 3.42Å; K115-D119 IonicContact NZ-OD1 3.94Å; K115-D119 PolarHBondContact NZ-OD1 3.47Å; K115-D119 IonicContact NZ-OD2 3.19Å; K115-D119 PolarHBondContact NZ-OD2 2.96Å; K115-D119 PolarHBondContact O-N 3.5Å; K115-F174 HydrophobicContact CB-CD2 4.22Å; K115-F174 HydrophobicContact CB-CE2 3.73Å; K115-F174 HydrophobicContact CB-CZ 4.39Å; K115-F174 HydrophobicContact CD-CE2 4.17Å; K115-F174 HydrophobicContact CD-CZ 4Å; K115-F174 HydrophobicContact CG-CE2 4.32Å
116	K	95.6	Very high	94.6	Very high	139 Å²	139	60.6 Å²	60.6	60%	0.604	30%	0.298	S	S	*	.	H	α-helix	trans	-61.8	-42.4	176.4	-71.3	174.9	-179.6	176.6	0	111.9	I112 D113 L114 D119 G120	I112-K116 HydrophobicContact CG2-CD 4.43Å; I112-K116 WeakPolarHBondContact O-CG 3.17Å; I112-K116 PolarHBondContact O-N 3.35Å; D113-K116 PolarHBondContact O-N 2.87Å; D113-K116 VanDerWaalsContact O-N 3.13Å; L114-K116 PolarHBondContact O-N 3.09Å; K116-D119 PolarHBondContact O-N 2.97Å; K116-G120 PolarHBondContact O-N 2.78Å
117	Q	96	Very high	94.8	Very high	86 Å²	86	62.5 Å²	62.5	40%	0.402	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-44.2	176.2	-67.3	-179.1	43.9	0	0	111.6	D113 L114 K115 D119 G120 I121 L170	D113-Q117 WeakPolarHBondContact O-CG 3.29Å; D113-Q117 PolarHBondContact O-N 2.87Å; D113-Q117 PolarHBondContact OD2-NE2 3.45Å; L114-Q117 PolarHBondContact O-N 2.98Å; K115-Q117 PolarHBondContact O-N 3.11Å; Q117-D119 PolarHBondContact O-N 2.88Å; Q117-G120 PolarHBondContact O-N 2.74Å; Q117-I121 WeakPolarHBondContact O-CG1 3.2Å; Q117-I121 PolarHBondContact O-N 3.5Å; Q117-L170 HydrophobicContact CB-CD1 4.38Å
118	I	94.6	Very high	94.9	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-58.4	-46.8	175.3	-75.1	172.5	0	0	0	111.2	L114 K115 I121 R122 F167 L170 F174	L114-I118 WeakPolarHBondContact O-CB 3.38Å; L114-I118 VanDerWaalsContact O-CG1 3.28Å; L114-I118 WeakPolarHBondContact O-CG1 3.31Å; L114-I118 PolarHBondContact O-N 3.36Å; K115-I118 WeakPolarHBondContact O-CB 3.41Å; K115-I118 PolarHBondContact O-N 2.85Å; I118-I121 PolarHBondContact O-N 3.04Å; I118-R122 WeakPolarHBondContact O-CG 3.23Å; I118-R122 PolarHBondContact O-N 3.31Å; I118-F167 HydrophobicContact CG2-CD2 4.44Å; I118-F167 HydrophobicContact CG2-CE2 3.7Å; I118-F167 HydrophobicContact CG2-CZ 4.49Å; I118-L170 HydrophobicContact CD1-CB 4.46Å; I118-L170 HydrophobicContact CG1-CB 3.89Å; I118-F174 HydrophobicContact CD1-CB 3.32Å; I118-F174 HydrophobicContact CD1-CD1 4.03Å; I118-F174 HydrophobicContact CD1-CD2 4.31Å; I118-F174 HydrophobicContact CD1-CG 3.63Å
119	D	93.7	Very high	94.8	Very high	57 Å²	57	62.5 Å²	62.5	31%	0.305	31%	0.311	S	S	.	.	H	α-helix	trans	-65.8	-42	-179.7	-68.6	-24.8	0	0	0	111	K115 K116 Q117 I121 R122 E123	K115-D119 WeakPolarHBondContact CE-OD2 3.42Å; K115-D119 IonicContact NZ-OD1 3.94Å; K115-D119 PolarHBondContact NZ-OD1 3.47Å; K115-D119 IonicContact NZ-OD2 3.19Å; K115-D119 PolarHBondContact NZ-OD2 2.96Å; K115-D119 PolarHBondContact O-N 3.5Å; K116-D119 PolarHBondContact O-N 2.97Å; Q117-D119 PolarHBondContact O-N 2.88Å; D119-I121 PolarHBondContact O-N 3.25Å; D119-R122 WeakPolarHBondContact O-CB 3.22Å; D119-R122 PolarHBondContact O-N 3.3Å; D119-E123 WeakPolarHBondContact O-CG 3.24Å; D119-E123 PolarHBondContact O-N 2.95Å
120	G	96.2	Very high	94.8	Very high	24 Å²	24	63.5 Å²	63.5	25%	0.247	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-41.3	174.2	0	0	0	0	0	113.6	K116 Q117 E123 Q124	K116-G120 PolarHBondContact O-N 2.78Å; Q117-G120 PolarHBondContact O-N 2.74Å; G120-E123 PolarHBondContact O-N 3.5Å; G120-Q124 WeakPolarHBondContact O-CG 3.4Å; G120-Q124 PolarHBondContact O-N 3.49Å; G120-Q124 VanDerWaalsContact O-N 3.08Å
121	I	95.4	Very high	94.8	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.097	31%	0.31	C	S	.	.	H	α-helix	trans	-67.6	-38.3	175.5	-69	171.9	0	0	0	111.2	Q117 I118 D119 E123 Q124 I125 L163 F167 L170	Q117-I121 WeakPolarHBondContact O-CG1 3.2Å; Q117-I121 PolarHBondContact O-N 3.5Å; I118-I121 PolarHBondContact O-N 3.04Å; D119-I121 PolarHBondContact O-N 3.25Å; I121-E123 VanDerWaalsContact C-N 3.32Å; I121-E123 PolarHBondContact O-N 3.31Å; I121-Q124 PolarHBondContact O-N 3.31Å; I121-I125 HydrophobicContact CG2-CD1 3.77Å; I121-I125 HydrophobicContact CG2-CG1 4.25Å; I121-I125 WeakPolarHBondContact O-CG1 3.46Å; I121-I125 PolarHBondContact O-N 2.89Å; I121-L163 HydrophobicContact CG2-CB 4.28Å; I121-L163 HydrophobicContact CG2-CD2 4.43Å; I121-F167 HydrophobicContact CG2-CB 3.85Å; I121-F167 HydrophobicContact CG2-CD2 4.25Å; I121-L170 HydrophobicContact CD1-CD1 3.27Å
122	R	94.2	Very high	94.6	Very high	117 Å²	117	65.6 Å²	65.6	44%	0.442	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-40.7	175.5	-78.7	178.4	173.8	-178.8	2.4	111.9	I118 D119 T126 F167	I118-R122 WeakPolarHBondContact O-CG 3.23Å; I118-R122 PolarHBondContact O-N 3.31Å; D119-R122 WeakPolarHBondContact O-CB 3.22Å; D119-R122 PolarHBondContact O-N 3.3Å; R122-T126 WeakPolarHBondContact O-CB 3.49Å; R122-T126 PolarHBondContact O-N 2.97Å; R122-T126 PolarHBondContact O-OG1 3.14Å; R122-F167 HydrophobicContact CG-CD2 4.02Å; R122-F167 HydrophobicContact CG-CE2 3.51Å; R122-F167 HydrophobicContact CG-CZ 4.34Å
123	E	95.9	Very high	94.3	Very high	142 Å²	142	68.2 Å²	68.2	66%	0.664	34%	0.337	S	S	*	.	H	α-helix	trans	-61.5	-47.4	174.5	-73.1	175.9	-179.1	0	0	111.2	D119 G120 I121 I125 T126 A127	D119-E123 WeakPolarHBondContact O-CG 3.24Å; D119-E123 PolarHBondContact O-N 2.95Å; G120-E123 PolarHBondContact O-N 3.5Å; I121-E123 VanDerWaalsContact C-N 3.32Å; I121-E123 PolarHBondContact O-N 3.31Å; E123-I125 PolarHBondContact O-N 2.96Å; E123-T126 WeakPolarHBondContact O-CB 3.21Å; E123-T126 PolarHBondContact O-N 3.49Å; E123-T126 VanDerWaalsContact O-N 3.14Å; E123-A127 PolarHBondContact O-N 3.13Å
124	Q	96.5	Very high	94	Very high	100 Å²	100	67 Å²	67	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-46.5	176.6	-69.2	172.7	23.5	0	0	112.5	G120 I121 T126 A127 L128 L163	G120-Q124 WeakPolarHBondContact O-CG 3.4Å; G120-Q124 PolarHBondContact O-N 3.49Å; G120-Q124 VanDerWaalsContact O-N 3.08Å; I121-Q124 PolarHBondContact O-N 3.31Å; Q124-T126 PolarHBondContact O-N 3.03Å; Q124-A127 PolarHBondContact O-N 2.72Å; Q124-L128 WeakPolarHBondContact O-CG 3.48Å; Q124-L128 PolarHBondContact O-N 2.66Å; Q124-L163 HydrophobicContact CB-CD1 3.87Å
125	I	94.3	Very high	93.6	Very high	13 Å²	13	67.9 Å²	67.9	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-59.4	-38.6	176.1	-71.1	170.5	0	0	0	110.9	I121 E123 K129 Q160 L163 E164 F167	I121-I125 HydrophobicContact CG2-CD1 3.77Å; I121-I125 HydrophobicContact CG2-CG1 4.25Å; I121-I125 WeakPolarHBondContact O-CG1 3.46Å; I121-I125 PolarHBondContact O-N 2.89Å; E123-I125 PolarHBondContact O-N 2.96Å; I125-K129 HydrophobicContact CG2-CD 4.29Å; I125-K129 WeakPolarHBondContact O-CG 3.33Å; I125-K129 PolarHBondContact O-N 2.81Å; I125-Q160 HydrophobicContact CG2-CG 4.3Å; I125-L163 HydrophobicContact CD1-CB 4.07Å; I125-L163 HydrophobicContact CG1-CB 3.7Å; I125-L163 HydrophobicContact CG1-CD1 4.24Å; I125-E164 HydrophobicContact CD1-CG 4.03Å; I125-F167 HydrophobicContact CD1-CB 4.26Å
126	T	94.5	Very high	93.2	Very high	88 Å²	88	70.9 Å²	70.9	54%	0.54	35%	0.354	S	S	.	.	H	α-helix	trans	-69.4	-41.6	179.2	-56	0	0	0	0	111.3	R122 E123 Q124 K129 Q130	R122-T126 WeakPolarHBondContact O-CB 3.49Å; R122-T126 PolarHBondContact O-N 2.97Å; R122-T126 PolarHBondContact O-OG1 3.14Å; E123-T126 WeakPolarHBondContact O-CB 3.21Å; E123-T126 PolarHBondContact O-N 3.49Å; E123-T126 VanDerWaalsContact O-N 3.14Å; Q124-T126 PolarHBondContact O-N 3.03Å; T126-K129 WeakPolarHBondContact O-CB 3.45Å; T126-K129 PolarHBondContact O-N 2.97Å; T126-Q130 PolarHBondContact O-N 3.07Å
127	A	95.4	Very high	92.8	Very high	49 Å²	49	67.1 Å²	67.1	41%	0.405	34%	0.343	S	S	.	.	H	α-helix	trans	-59.6	-49.7	173.8	0	0	0	0	0	111.5	E123 Q124 K129 Q130 D131	E123-A127 PolarHBondContact O-N 3.13Å; Q124-A127 PolarHBondContact O-N 2.72Å; A127-K129 VanDerWaalsContact C-N 3.28Å; A127-K129 PolarHBondContact O-N 3Å; A127-Q130 WeakPolarHBondContact O-CA 3.28Å; A127-Q130 WeakPolarHBondContact O-CB 3.48Å; A127-Q130 PolarHBondContact O-N 3.26Å; A127-D131 PolarHBondContact O-N 2.81Å
128	L	94.2	Very high	92.2	Very high	14 Å²	14	66.8 Å²	66.8	7%	0.073	34%	0.342	C	S	.	.	H	α-helix	trans	-60.4	-36	177.3	-68.3	174.9	0	0	0	112.8	Q124 R132 L156 E159 Q160 L163	Q124-L128 WeakPolarHBondContact O-CG 3.48Å; Q124-L128 PolarHBondContact O-N 2.66Å; L128-R132 WeakPolarHBondContact O-CB 3.4Å; L128-R132 PolarHBondContact O-N 3.06Å; L128-L156 HydrophobicContact CD2-CD2 3.6Å; L128-E159 HydrophobicContact CD1-CB 4.21Å; L128-E159 HydrophobicContact CD1-CG 3.88Å; L128-Q160 HydrophobicContact CD1-CB 4.23Å; L128-L163 HydrophobicContact CD1-CD1 3.55Å
129	K	92.1	Very high	91.5	Very high	88 Å²	88	71.4 Å²	71.4	38%	0.383	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-42.4	173.3	-78.4	173.1	-178.5	173.5	0	111.3	I125 T126 A127 R132 I133	I125-K129 HydrophobicContact CG2-CD 4.29Å; I125-K129 WeakPolarHBondContact O-CG 3.33Å; I125-K129 PolarHBondContact O-N 2.81Å; T126-K129 WeakPolarHBondContact O-CB 3.45Å; T126-K129 PolarHBondContact O-N 2.97Å; A127-K129 VanDerWaalsContact C-N 3.28Å; A127-K129 PolarHBondContact O-N 3Å; K129-R132 PolarHBondContact O-N 3.3Å; K129-I133 VanDerWaalsContact O-CG1 3.29Å; K129-I133 WeakPolarHBondContact O-CG1 3.38Å; K129-I133 PolarHBondContact O-N 3.05Å
130	Q	94.1	Very high	91	Very high	113 Å²	113	75 Å²	75	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-40.9	179.1	-166.8	64	14.1	0	0	112.1	T126 A127 R132 I133 S134	T126-Q130 PolarHBondContact O-N 3.07Å; A127-Q130 WeakPolarHBondContact O-CA 3.28Å; A127-Q130 WeakPolarHBondContact O-CB 3.48Å; A127-Q130 PolarHBondContact O-N 3.26Å; Q130-R132 VanDerWaalsContact C-N 3.32Å; Q130-R132 PolarHBondContact O-N 2.94Å; Q130-I133 PolarHBondContact O-N 2.91Å; Q130-S134 PolarHBondContact O-N 3.14Å; Q130-S134 PolarHBondContact O-OG 3.05Å
131	D	93.3	Very high	90.3	Very high	81 Å²	81	79.3 Å²	79.3	43%	0.433	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-41.8	175.4	-67.6	-19.2	0	0	0	110.9	A127 I133 S134 L135 L156	A127-D131 PolarHBondContact O-N 2.81Å; D131-I133 PolarHBondContact O-N 3.32Å; D131-S134 WeakPolarHBondContact O-CB 3.39Å; D131-S134 PolarHBondContact O-N 3.04Å; D131-L135 PolarHBondContact O-N 2.97Å; D131-L156 HydrophobicContact CB-CD1 3.86Å
132	R	89.7	Confident	89	Confident	79 Å²	79	85.6 Å²	85.6	30%	0.298	42%	0.422	S	S	.	.	H	α-helix	trans	-64.8	-39.4	176.2	-165.4	-178.4	71.9	-154	-2.8	112.6	L128 K129 Q130 S134 L135 Q136 L156	L128-R132 WeakPolarHBondContact O-CB 3.4Å; L128-R132 PolarHBondContact O-N 3.06Å; K129-R132 PolarHBondContact O-N 3.3Å; Q130-R132 VanDerWaalsContact C-N 3.32Å; Q130-R132 PolarHBondContact O-N 2.94Å; R132-S134 VanDerWaalsContact C-N 3.29Å; R132-L135 PolarHBondContact O-N 3.24Å; R132-Q136 PolarHBondContact O-N 3.33Å; R132-L156 HydrophobicContact CB-CD1 4.34Å
133	I	90	Very high	87.4	Confident	84 Å²	84	85.6 Å²	85.6	43%	0.431	43%	0.431	S	S	.	.	H	α-helix	trans	-61	-43.6	173.7	-69.9	164.2	0	0	0	109.6	K129 Q130 D131 L135 Q136 T137	K129-I133 VanDerWaalsContact O-CG1 3.29Å; K129-I133 WeakPolarHBondContact O-CG1 3.38Å; K129-I133 PolarHBondContact O-N 3.05Å; Q130-I133 PolarHBondContact O-N 2.91Å; D131-I133 PolarHBondContact O-N 3.32Å; I133-L135 PolarHBondContact O-N 3.21Å; I133-Q136 WeakPolarHBondContact O-CB 3.27Å; I133-Q136 PolarHBondContact O-N 3.5Å; I133-T137 PolarHBondContact O-N 3.43Å; I133-T137 PolarHBondContact O-OG1 3.47Å; I133-T137 VanDerWaalsContact O-OG1 3.06Å
134	S	89.1	Confident	85.8	Confident	53 Å²	53	84.8 Å²	84.8	37%	0.371	43%	0.427	S	S	.	.	H	α-helix	trans	-62.5	-44	179.1	-54.7	0	0	0	0	112.3	Q130 D131 R132 Q136 T137 Q138	Q130-S134 PolarHBondContact O-N 3.14Å; Q130-S134 PolarHBondContact O-OG 3.05Å; D131-S134 WeakPolarHBondContact O-CB 3.39Å; D131-S134 PolarHBondContact O-N 3.04Å; R132-S134 VanDerWaalsContact C-N 3.29Å; S134-Q136 VanDerWaalsContact C-N 3.33Å; S134-Q136 PolarHBondContact O-N 2.99Å; S134-T137 PolarHBondContact O-N 2.89Å; S134-Q138 WeakPolarHBondContact O-CG 3.32Å; S134-Q138 PolarHBondContact O-N 3.3Å
135	L	87.5	Confident	84.5	Confident	30 Å²	30	85.4 Å²	85.4	16%	0.157	43%	0.434	C	S	.	.	H	α-helix	trans	-62	-39.1	173.6	-73.5	178.9	0	0	0	112.3	D131 R132 I133 Q138 Y139 V149 A152 A153 L156	D131-L135 PolarHBondContact O-N 2.97Å; R132-L135 PolarHBondContact O-N 3.24Å; I133-L135 PolarHBondContact O-N 3.21Å; L135-Q138 PolarHBondContact O-N 2.9Å; L135-Y139 PolarHBondContact O-N 2.97Å; L135-V149 HydrophobicContact CB-CG1 4.19Å; L135-V149 HydrophobicContact CD2-CG1 4.38Å; L135-A152 HydrophobicContact CD1-CB 3.87Å; L135-A153 HydrophobicContact CD1-CB 4.31Å; L135-L156 HydrophobicContact CD1-CD1 3.54Å
136	Q	86.1	Confident	83.6	Confident	110 Å²	110	86.7 Å²	86.7	51%	0.514	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-43.6	176.2	-175.9	177.9	-16.4	0	0	111.1	R132 I133 S134 Q138 Y139 E140	R132-Q136 PolarHBondContact O-N 3.33Å; I133-Q136 WeakPolarHBondContact O-CB 3.27Å; I133-Q136 PolarHBondContact O-N 3.5Å; S134-Q136 VanDerWaalsContact C-N 3.33Å; S134-Q136 PolarHBondContact O-N 2.99Å; Q136-Q138 VanDerWaalsContact C-N 3.32Å; Q136-Q138 PolarHBondContact O-N 3.32Å; Q136-Y139 WeakPolarHBondContact O-CB 3.13Å; Q136-Y139 PolarHBondContact O-N 3.13Å; Q136-E140 PolarHBondContact NE2-OE1 3.41Å; Q136-E140 WeakPolarHBondContact O-CG 3.22Å; Q136-E140 PolarHBondContact O-N 3.29Å
137	T	85.5	Confident	83.1	Confident	60 Å²	60	87.4 Å²	87.4	37%	0.368	44%	0.444	S	S	.	.	H	α-helix	trans	-62.2	-39.6	175.3	-50.5	0	0	0	0	111.9	I133 S134 E140 Q141	I133-T137 PolarHBondContact O-N 3.43Å; I133-T137 PolarHBondContact O-OG1 3.47Å; I133-T137 VanDerWaalsContact O-OG1 3.06Å; S134-T137 PolarHBondContact O-N 2.89Å; T137-E140 PolarHBondContact O-N 2.9Å; T137-Q141 WeakPolarHBondContact O-CB 3.41Å; T137-Q141 VanDerWaalsContact O-CG 3.29Å; T137-Q141 WeakPolarHBondContact O-CG 3.26Å; T137-Q141 PolarHBondContact O-N 3.48Å; T137-Q141 VanDerWaalsContact O-N 3.1Å
138	Q	83.2	Confident	82.6	Confident	80 Å²	80	91.2 Å²	91.2	37%	0.374	45%	0.454	S	S	.	.	H	α-helix	trans	-64.1	-41.1	175.3	-73.1	174.8	-2.6	0	0	112.5	S134 L135 Q136 Q141	S134-Q138 WeakPolarHBondContact O-CG 3.32Å; S134-Q138 PolarHBondContact O-N 3.3Å; L135-Q138 PolarHBondContact O-N 2.9Å; Q136-Q138 VanDerWaalsContact C-N 3.32Å; Q136-Q138 PolarHBondContact O-N 3.32Å; Q138-Q141 PolarHBondContact O-N 2.86Å
139	Y	81.7	Confident	82.1	Confident	99 Å²	99	91 Å²	91	39%	0.388	45%	0.453	S	S	.	.	H	α-helix	trans	-61.9	-45.1	175.7	-172.4	-93.8	0	0	0	111.6	L135 Q136 Q141 N142 V149 K150	L135-Y139 PolarHBondContact O-N 2.97Å; Q136-Y139 WeakPolarHBondContact O-CB 3.13Å; Q136-Y139 PolarHBondContact O-N 3.13Å; Y139-Q141 PolarHBondContact O-N 3.46Å; Y139-N142 PolarHBondContact O-N 2.89Å; Y139-V149 HydrophobicContact CD2-CB 4.22Å; Y139-V149 HydrophobicContact CD2-CG1 4.16Å; Y139-K150 HydrophobicContact CE2-CD 4.48Å; Y139-K150 HydrophobicContact CE2-CG 4.28Å; Y139-K150 WeakPolarHBondContact OH-CE 3.46Å; Y139-K150 PolarHBondContact OH-NZ 2.99Å
140	E	82.5	Confident	81.7	Confident	131 Å²	131	90.5 Å²	90.5	61%	0.612	45%	0.45	S	S	*	.	H	α-helix	trans	-65.1	-27.9	178.3	-72.7	170.8	-170.7	0	0	112.7	Q136 T137	Q136-E140 PolarHBondContact NE2-OE1 3.41Å; Q136-E140 WeakPolarHBondContact O-CG 3.22Å; Q136-E140 PolarHBondContact O-N 3.29Å; T137-E140 PolarHBondContact O-N 2.9Å
141	Q	81.6	Confident	81.5	Confident	116 Å²	116	89.8 Å²	89.8	54%	0.542	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.4	179.6	-71.1	178.2	-1.3	0	0	114.6	T137 Q138 Y139 N143	T137-Q141 WeakPolarHBondContact O-CB 3.41Å; T137-Q141 VanDerWaalsContact O-CG 3.29Å; T137-Q141 WeakPolarHBondContact O-CG 3.26Å; T137-Q141 PolarHBondContact O-N 3.48Å; T137-Q141 VanDerWaalsContact O-N 3.1Å; Q138-Q141 PolarHBondContact O-N 2.86Å; Y139-Q141 PolarHBondContact O-N 3.46Å; Q141-N143 PolarHBondContact O-N 3.02Å
142	N	68.5	Low	81.3	Confident	151 Å²	151	87.8 Å²	87.8	81%	0.807	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	27.6	179.7	-91.3	-9	0	0	0	114.8	Y139	Y139-N142 PolarHBondContact O-N 2.89Å
143	N	61	Low	81.2	Confident	116 Å²	116	85.4 Å²	85.4	62%	0.62	45%	0.446	S	S	*	.			trans	-86.6	-8	-171.6	-80.7	-28.9	0	0	0	115.1	Q141	Q141-N143 PolarHBondContact O-N 3.02Å
144	Q	61.4	Low	81.2	Confident	126 Å²	126	89.9 Å²	89.9	59%	0.589	46%	0.457	S	S	*	.	S	Bend	trans	-154.4	169.8	-176.5	-86.2	-174	-26.8	0	0	113.3	S146 V149	Q144-S146 PolarHBondContact O-N 3.16Å; Q144-V149 HydrophobicContact CB-CG2 4.26Å
145	D	68.1	Low	81.4	Confident	113 Å²	113	90.1 Å²	90.1	60%	0.604	46%	0.462	S	S	*	.			trans	-59.1	120.2	177.6	-154.4	-15.1	0	0	0	111.3	D147 E148	D145-D147 PolarHBondContact O-N 3.24Å; D145-D147 VanDerWaalsContact O-N 3.09Å; D145-E148 PolarHBondContact O-N 2.97Å
146	S	77.3	Confident	81.7	Confident	39 Å²	39	90.1 Å²	90.1	27%	0.273	46%	0.462	S	S	.	.	H	α-helix	trans	-58.6	-31.7	-167.1	129.6	0	0	0	0	112.7	Q144 K150	Q144-S146 PolarHBondContact O-N 3.16Å; S146-K150 WeakPolarHBondContact O-CD 3.41Å; S146-K150 VanDerWaalsContact O-CG 3.29Å; S146-K150 WeakPolarHBondContact O-CG 3.35Å; S146-K150 PolarHBondContact O-N 3.24Å; S146-K150 PolarHBondContact OG-NZ 2.9Å
147	D	82.8	Confident	82	Confident	104 Å²	104	92 Å²	92	56%	0.556	47%	0.465	S	S	*	.	H	α-helix	trans	-78.7	-36.1	-173.4	-75.9	-10.4	0	0	0	112.7	D145 V149 K150 V151	D145-D147 PolarHBondContact O-N 3.24Å; D145-D147 VanDerWaalsContact O-N 3.09Å; D147-V149 PolarHBondContact O-N 3.25Å; D147-K150 PolarHBondContact O-N 3.28Å; D147-K150 IonicContact OD1-NZ 3.94Å; D147-V151 WeakPolarHBondContact O-CG2 3.35Å; D147-V151 PolarHBondContact O-N 3.45Å
148	E	84.4	Confident	82.4	Confident	129 Å²	129	92.9 Å²	92.9	60%	0.603	47%	0.473	S	S	*	.	H	α-helix	trans	-62.5	-45.4	175	-71	-169.6	161	0	0	111.2	D145 K150 V151 A152	D145-E148 PolarHBondContact O-N 2.97Å; E148-K150 VanDerWaalsContact C-N 3.31Å; E148-K150 PolarHBondContact O-N 3.35Å; E148-V151 PolarHBondContact O-N 3.14Å; E148-A152 WeakPolarHBondContact O-CB 3.17Å; E148-A152 PolarHBondContact O-N 3.23Å
149	V	83.7	Confident	82.9	Confident	9 Å²	9	94 Å²	94	6%	0.055	48%	0.478	C	S	.	.	H	α-helix	trans	-62.7	-39.7	178.8	-178.4	0	0	0	0	111	L135 Y139 Q144 D147 A153	L135-V149 HydrophobicContact CB-CG1 4.19Å; L135-V149 HydrophobicContact CD2-CG1 4.38Å; Y139-V149 HydrophobicContact CD2-CB 4.22Å; Y139-V149 HydrophobicContact CD2-CG1 4.16Å; Q144-V149 HydrophobicContact CB-CG2 4.26Å; D147-V149 PolarHBondContact O-N 3.25Å; V149-A153 VanDerWaalsContact O-CB 3.29Å; V149-A153 WeakPolarHBondContact O-CB 3.23Å; V149-A153 PolarHBondContact O-N 3.36Å
150	K	84.7	Confident	83.5	Confident	77 Å²	77	89.9 Å²	89.9	34%	0.335	46%	0.463	S	S	.	.	H	α-helix	trans	-64.8	-41.9	175.2	-76.3	169.7	-175	155.6	0	112.3	Y139 S146 D147 E148 R154	Y139-K150 HydrophobicContact CE2-CD 4.48Å; Y139-K150 HydrophobicContact CE2-CG 4.28Å; Y139-K150 WeakPolarHBondContact OH-CE 3.46Å; Y139-K150 PolarHBondContact OH-NZ 2.99Å; S146-K150 WeakPolarHBondContact O-CD 3.41Å; S146-K150 VanDerWaalsContact O-CG 3.29Å; S146-K150 WeakPolarHBondContact O-CG 3.35Å; S146-K150 PolarHBondContact O-N 3.24Å; S146-K150 PolarHBondContact OG-NZ 2.9Å; D147-K150 PolarHBondContact O-N 3.28Å; D147-K150 IonicContact OD1-NZ 3.94Å; E148-K150 VanDerWaalsContact C-N 3.31Å; E148-K150 PolarHBondContact O-N 3.35Å; K150-R154 WeakPolarHBondContact O-CB 3.43Å; K150-R154 VanDerWaalsContact O-CG 3.28Å; K150-R154 WeakPolarHBondContact O-CG 3.13Å; K150-R154 PolarHBondContact O-N 2.86Å
151	V	89.2	Confident	84	Confident	98 Å²	98	89.3 Å²	89.3	59%	0.594	46%	0.458	S	S	*	.	H	α-helix	trans	-64.5	-47	177.9	171.4	0	0	0	0	110.3	D147 E148 A153 R154 A155	D147-V151 WeakPolarHBondContact O-CG2 3.35Å; D147-V151 PolarHBondContact O-N 3.45Å; E148-V151 PolarHBondContact O-N 3.14Å; V151-A153 PolarHBondContact O-N 3.33Å; V151-R154 PolarHBondContact O-N 2.98Å; V151-A155 PolarHBondContact O-N 2.83Å
152	A	89.9	Confident	84.7	Confident	40 Å²	40	87.4 Å²	87.4	33%	0.331	46%	0.458	S	S	.	.	H	α-helix	trans	-60	-46.5	176.5	0	0	0	0	0	111.9	L135 E148 R154 A155 L156	L135-A152 HydrophobicContact CD1-CB 3.87Å; E148-A152 WeakPolarHBondContact O-CB 3.17Å; E148-A152 PolarHBondContact O-N 3.23Å; A152-R154 VanDerWaalsContact C-N 3.29Å; A152-R154 PolarHBondContact O-N 3.45Å; A152-A155 WeakPolarHBondContact O-CB 3.46Å; A152-A155 PolarHBondContact O-N 3.3Å; A152-A155 VanDerWaalsContact O-N 3.12Å; A152-L156 WeakPolarHBondContact O-CG 3.26Å; A152-L156 PolarHBondContact O-N 2.95Å
153	A	87.7	Confident	85.9	Confident	29 Å²	29	81.3 Å²	81.3	24%	0.24	43%	0.425	C	S	.	.	H	α-helix	trans	-62.3	-35.1	177.7	0	0	0	0	0	112.8	L135 V149 V151 R157	L135-A153 HydrophobicContact CD1-CB 4.31Å; V149-A153 VanDerWaalsContact O-CB 3.29Å; V149-A153 WeakPolarHBondContact O-CB 3.23Å; V149-A153 PolarHBondContact O-N 3.36Å; V151-A153 PolarHBondContact O-N 3.33Å; A153-R157 WeakPolarHBondContact O-CB 3.28Å; A153-R157 PolarHBondContact O-N 3.16Å; A153-R157 VanDerWaalsContact O-N 3.11Å
154	R	90.5	Very high	87.4	Confident	177 Å²	177	79.5 Å²	79.5	67%	0.668	41%	0.413	S	S	*	.	H	α-helix	trans	-67.8	-41.5	173.2	-74.8	174.4	-174	-177.6	3.8	111.8	K150 V151 A152 R157 S158	K150-R154 WeakPolarHBondContact O-CB 3.43Å; K150-R154 VanDerWaalsContact O-CG 3.28Å; K150-R154 WeakPolarHBondContact O-CG 3.13Å; K150-R154 PolarHBondContact O-N 2.86Å; V151-R154 PolarHBondContact O-N 2.98Å; A152-R154 VanDerWaalsContact C-N 3.29Å; A152-R154 PolarHBondContact O-N 3.45Å; R154-R157 PolarHBondContact O-N 2.69Å; R154-S158 PolarHBondContact O-N 2.76Å; R154-S158 PolarHBondContact O-OG 3.3Å
155	A	93.3	Very high	88.9	Confident	58 Å²	58	78.6 Å²	78.6	48%	0.479	42%	0.416	S	S	.	.	H	α-helix	trans	-60.6	-50.6	176.7	0	0	0	0	0	111.2	V151 A152 R157 S158 E159	V151-A155 PolarHBondContact O-N 2.83Å; A152-A155 WeakPolarHBondContact O-CB 3.46Å; A152-A155 PolarHBondContact O-N 3.3Å; A152-A155 VanDerWaalsContact O-N 3.12Å; A155-R157 VanDerWaalsContact C-N 3.26Å; A155-R157 PolarHBondContact O-N 3.24Å; A155-S158 WeakPolarHBondContact O-CB 3.39Å; A155-S158 PolarHBondContact O-N 3Å; A155-S158 VanDerWaalsContact O-N 3.07Å; A155-E159 PolarHBondContact O-N 3.39Å
156	L	93.2	Very high	90	Very high	30 Å²	30	75.7 Å²	75.7	16%	0.157	40%	0.404	C	S	.	.	H	α-helix	trans	-58.1	-38.8	176.2	-66.2	179.7	0	0	0	112.2	L128 D131 R132 L135 A152 E159 Q160	L128-L156 HydrophobicContact CD2-CD2 3.6Å; D131-L156 HydrophobicContact CB-CD1 3.86Å; R132-L156 HydrophobicContact CB-CD1 4.34Å; L135-L156 HydrophobicContact CD1-CD1 3.54Å; A152-L156 WeakPolarHBondContact O-CG 3.26Å; A152-L156 PolarHBondContact O-N 2.95Å; L156-E159 PolarHBondContact O-N 2.92Å; L156-Q160 VanDerWaalsContact O-CB 3.3Å; L156-Q160 WeakPolarHBondContact O-CB 3.34Å; L156-Q160 PolarHBondContact O-N 2.78Å
157	R	92	Very high	90.8	Very high	150 Å²	150	75.7 Å²	75.7	57%	0.566	40%	0.4	S	S	*	.	H	α-helix	trans	-67.1	-37.5	177.6	-170.8	174.7	-173.4	174.7	0.8	112.3	A153 R154 A155 K161	A153-R157 WeakPolarHBondContact O-CB 3.28Å; A153-R157 PolarHBondContact O-N 3.16Å; A153-R157 VanDerWaalsContact O-N 3.11Å; R154-R157 PolarHBondContact O-N 2.69Å; A155-R157 VanDerWaalsContact C-N 3.26Å; A155-R157 PolarHBondContact O-N 3.24Å; R157-K161 WeakPolarHBondContact O-CG 3.16Å; R157-K161 PolarHBondContact O-N 2.91Å; R157-K161 VanDerWaalsContact O-N 3.08Å
158	S	94	Very high	91.1	Very high	78 Å²	78	75.3 Å²	75.3	55%	0.545	39%	0.393	S	S	.	.	H	α-helix	trans	-67.8	-42.4	176.3	-65.5	0	0	0	0	111.4	R154 A155 K161 S162	R154-S158 PolarHBondContact O-N 2.76Å; R154-S158 PolarHBondContact O-OG 3.3Å; A155-S158 WeakPolarHBondContact O-CB 3.39Å; A155-S158 PolarHBondContact O-N 3Å; A155-S158 VanDerWaalsContact O-N 3.07Å; S158-K161 PolarHBondContact O-N 3.28Å; S158-S162 PolarHBondContact O-N 2.96Å
159	E	94.6	Very high	91.4	Very high	103 Å²	103	75.8 Å²	75.8	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-46.4	175.2	-170.4	176.8	-178.4	0	0	111.6	L128 A155 L156 K161 S162 L163	L128-E159 HydrophobicContact CD1-CB 4.21Å; L128-E159 HydrophobicContact CD1-CG 3.88Å; A155-E159 PolarHBondContact O-N 3.39Å; L156-E159 PolarHBondContact O-N 2.92Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 3.04Å; E159-S162 WeakPolarHBondContact O-CB 3.34Å; E159-S162 PolarHBondContact O-N 2.81Å; E159-L163 PolarHBondContact O-N 2.75Å
160	Q	93.3	Very high	91.8	Very high	13 Å²	13	76.7 Å²	76.7	6%	0.061	40%	0.397	C	S	.	.	H	α-helix	trans	-55.6	-44.7	175.1	-171.1	-164.3	-21.6	0	0	111.3	I125 L128 L156 S162 L163 E164	I125-Q160 HydrophobicContact CG2-CG 4.3Å; L128-Q160 HydrophobicContact CD1-CB 4.23Å; L156-Q160 VanDerWaalsContact O-CB 3.3Å; L156-Q160 WeakPolarHBondContact O-CB 3.34Å; L156-Q160 PolarHBondContact O-N 2.78Å; Q160-S162 VanDerWaalsContact C-N 3.35Å; Q160-S162 PolarHBondContact O-N 3.31Å; Q160-L163 PolarHBondContact O-N 3Å; Q160-E164 PolarHBondContact NE2-OE1 2.96Å; Q160-E164 WeakPolarHBondContact O-CB 3.5Å; Q160-E164 WeakPolarHBondContact O-CG 3.44Å; Q160-E164 PolarHBondContact O-N 3.43Å
161	K	93.8	Very high	92	Very high	119 Å²	119	74.6 Å²	74.6	52%	0.517	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-40.2	176.8	-79.4	-180	175.8	-173.4	0	112.5	R157 S158 E159 E164 V165	R157-K161 WeakPolarHBondContact O-CG 3.16Å; R157-K161 PolarHBondContact O-N 2.91Å; R157-K161 VanDerWaalsContact O-N 3.08Å; S158-K161 PolarHBondContact O-N 3.28Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 3.04Å; K161-E164 PolarHBondContact O-N 2.91Å; K161-V165 WeakPolarHBondContact O-CG2 3.13Å; K161-V165 PolarHBondContact O-N 2.83Å; K161-V165 VanDerWaalsContact O-N 3.09Å
162	S	95	Very high	92.1	Very high	77 Å²	77	72.7 Å²	72.7	54%	0.538	37%	0.372	S	S	.	.	H	α-helix	trans	-63.7	-42.2	177.2	-176.1	0	0	0	0	111.6	S158 E159 Q160 V165 S166	S158-S162 PolarHBondContact O-N 2.96Å; E159-S162 WeakPolarHBondContact O-CB 3.34Å; E159-S162 PolarHBondContact O-N 2.81Å; Q160-S162 VanDerWaalsContact C-N 3.35Å; Q160-S162 PolarHBondContact O-N 3.31Å; S162-V165 PolarHBondContact O-N 3.07Å; S162-S166 PolarHBondContact O-N 2.96Å; S162-S166 VanDerWaalsContact O-N 3.09Å; S162-S166 PolarHBondContact O-OG 2.85Å
163	L	94.6	Very high	92.1	Very high	23 Å²	23	74.1 Å²	74.1	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-66.9	-38.3	174.5	-70.8	175.8	0	0	0	112.4	I121 Q124 I125 L128 E159 Q160 V165 S166 F167	I121-L163 HydrophobicContact CG2-CB 4.28Å; I121-L163 HydrophobicContact CG2-CD2 4.43Å; Q124-L163 HydrophobicContact CB-CD1 3.87Å; I125-L163 HydrophobicContact CD1-CB 4.07Å; I125-L163 HydrophobicContact CG1-CB 3.7Å; I125-L163 HydrophobicContact CG1-CD1 4.24Å; L128-L163 HydrophobicContact CD1-CD1 3.55Å; E159-L163 PolarHBondContact O-N 2.75Å; Q160-L163 PolarHBondContact O-N 3Å; L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 3.02Å; L163-S166 PolarHBondContact O-N 3.2Å; L163-F167 VanDerWaalsContact O-CB 3.22Å; L163-F167 WeakPolarHBondContact O-CB 3.04Å; L163-F167 PolarHBondContact O-N 3.29Å
164	E	93	Very high	92.4	Very high	78 Å²	78	73.4 Å²	73.4	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-38.1	175.7	-77.4	171.9	176.7	0	0	112.4	I125 Q160 K161 K168	I125-E164 HydrophobicContact CD1-CG 4.03Å; Q160-E164 PolarHBondContact NE2-OE1 2.96Å; Q160-E164 WeakPolarHBondContact O-CB 3.5Å; Q160-E164 WeakPolarHBondContact O-CG 3.44Å; Q160-E164 PolarHBondContact O-N 3.43Å; K161-E164 PolarHBondContact O-N 2.91Å; E164-K168 PolarHBondContact O-N 2.71Å
165	V	91.1	Very high	92.4	Very high	107 Å²	107	67.2 Å²	67.2	65%	0.648	34%	0.342	S	S	*	.	H	α-helix	trans	-66.1	-45.4	173.9	172.4	0	0	0	0	111	K161 S162 L163 F167 K168 K169	K161-V165 WeakPolarHBondContact O-CG2 3.13Å; K161-V165 PolarHBondContact O-N 2.83Å; K161-V165 VanDerWaalsContact O-N 3.09Å; S162-V165 PolarHBondContact O-N 3.07Å; L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 3.02Å; V165-F167 VanDerWaalsContact C-N 3.34Å; V165-F167 PolarHBondContact O-N 3.29Å; V165-K168 PolarHBondContact O-N 3.48Å; V165-K169 PolarHBondContact O-N 3.43Å
166	S	92.7	Very high	92.3	Very high	51 Å²	51	68.5 Å²	68.5	36%	0.357	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-41.9	177.9	-58.1	0	0	0	0	111.6	S162 L163 K169 L170	S162-S166 PolarHBondContact O-N 2.96Å; S162-S166 VanDerWaalsContact O-N 3.09Å; S162-S166 PolarHBondContact O-OG 2.85Å; L163-S166 PolarHBondContact O-N 3.2Å; S166-K169 PolarHBondContact O-N 3.23Å; S166-L170 PolarHBondContact O-N 3.44Å
167	F	93.2	Very high	92.1	Very high	40 Å²	40	70.3 Å²	70.3	18%	0.175	35%	0.345	C	S	.	.	H	α-helix	trans	-57.2	-49.1	173.8	175.8	-94.3	0	0	0	111.2	I118 I121 R122 I125 L163 V165 K169 L170 D171	I118-F167 HydrophobicContact CG2-CD2 4.44Å; I118-F167 HydrophobicContact CG2-CE2 3.7Å; I118-F167 HydrophobicContact CG2-CZ 4.49Å; I121-F167 HydrophobicContact CG2-CB 3.85Å; I121-F167 HydrophobicContact CG2-CD2 4.25Å; R122-F167 HydrophobicContact CG-CD2 4.02Å; R122-F167 HydrophobicContact CG-CE2 3.51Å; R122-F167 HydrophobicContact CG-CZ 4.34Å; I125-F167 HydrophobicContact CD1-CB 4.26Å; L163-F167 VanDerWaalsContact O-CB 3.22Å; L163-F167 WeakPolarHBondContact O-CB 3.04Å; L163-F167 PolarHBondContact O-N 3.29Å; V165-F167 VanDerWaalsContact C-N 3.34Å; V165-F167 PolarHBondContact O-N 3.29Å; F167-K169 VanDerWaalsContact C-N 3.29Å; F167-K169 PolarHBondContact O-N 2.82Å; F167-L170 PolarHBondContact O-N 3.35Å; F167-D171 HydrophobicContact CE1-CB 4.14Å; F167-D171 HydrophobicContact CZ-CB 4.21Å; F167-D171 VanDerWaalsContact O-CB 3.26Å; F167-D171 WeakPolarHBondContact O-CB 3.36Å; F167-D171 PolarHBondContact O-N 2.77Å
168	K	89	Confident	92.2	Very high	96 Å²	96	63.2 Å²	63.2	42%	0.417	32%	0.318	S	S	.	.	H	α-helix	trans	-58.4	-41.8	-179.7	-169	-177.1	-177.1	-170.1	0	111.8	N76 E164 V165 Y172	N76-K168 PolarHBondContact OD1-NZ 3.33Å; E164-K168 PolarHBondContact O-N 2.71Å; V165-K168 PolarHBondContact O-N 3.48Å; K168-Y172 PolarHBondContact O-N 2.86Å
169	K	90.1	Very high	92.1	Very high	139 Å²	139	60 Å²	60	60%	0.604	30%	0.295	S	S	*	.	H	α-helix	trans	-65.3	-45.8	178	-174.1	-178.7	175.9	-174.9	0	112	V165 S166 F167 Y172 E173	V165-K169 PolarHBondContact O-N 3.43Å; S166-K169 PolarHBondContact O-N 3.23Å; F167-K169 VanDerWaalsContact C-N 3.29Å; F167-K169 PolarHBondContact O-N 2.82Å; K169-Y172 WeakPolarHBondContact O-CB 3.2Å; K169-Y172 PolarHBondContact O-N 2.98Å; K169-E173 PolarHBondContact O-N 2.91Å; K169-E173 VanDerWaalsContact O-N 3.15Å
170	L	92.6	Very high	91.9	Very high	27 Å²	27	58.5 Å²	58.5	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-67.8	-40.8	178.9	-75.7	165.2	0	0	0	112.2	L114 Q117 I118 I121 S166 F167 Y172 E173 F174	L114-L170 HydrophobicContact CD2-CD2 3.8Å; Q117-L170 HydrophobicContact CB-CD1 4.38Å; I118-L170 HydrophobicContact CD1-CB 4.46Å; I118-L170 HydrophobicContact CG1-CB 3.89Å; I121-L170 HydrophobicContact CD1-CD1 3.27Å; S166-L170 PolarHBondContact O-N 3.44Å; F167-L170 PolarHBondContact O-N 3.35Å; L170-Y172 VanDerWaalsContact C-N 3.3Å; L170-Y172 PolarHBondContact O-N 2.82Å; L170-E173 PolarHBondContact O-N 2.81Å; L170-F174 WeakPolarHBondContact O-CB 3.44Å; L170-F174 PolarHBondContact O-N 3.43Å
171	D	89.9	Confident	92	Very high	33 Å²	33	58.1 Å²	58.1	18%	0.176	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-40.3	176.1	-172	55.3	0	0	0	111.1	F167 F174 Q175	F167-D171 HydrophobicContact CE1-CB 4.14Å; F167-D171 HydrophobicContact CZ-CB 4.21Å; F167-D171 VanDerWaalsContact O-CB 3.26Å; F167-D171 WeakPolarHBondContact O-CB 3.36Å; F167-D171 PolarHBondContact O-N 2.77Å; D171-F174 PolarHBondContact O-N 2.83Å; D171-Q175 VanDerWaalsContact CG-NE2 3.3Å; D171-Q175 WeakPolarHBondContact O-CB 3.26Å; D171-Q175 VanDerWaalsContact O-CG 3.27Å; D171-Q175 WeakPolarHBondContact O-CG 3.32Å; D171-Q175 PolarHBondContact O-N 3.19Å; D171-Q175 PolarHBondContact OD1-NE2 3.45Å; D171-Q175 VanDerWaalsContact OD1-NE2 3.14Å; D171-Q175 PolarHBondContact OD2-NE2 3.4Å
172	Y	89.6	Confident	92.1	Very high	58 Å²	58	52.6 Å²	52.6	23%	0.227	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-53.5	171	166.4	-99.7	0	0	0	112.4	Y72 Q73 D74 K168 K169 L170 F174 Q175 K176	Y72-Y172 HydrophobicContact CD2-CD2 4.02Å; Y72-Y172 HydrophobicContact CD2-CE2 4.1Å; Y72-Y172 HydrophobicContact CE2-CD2 4.06Å; Y72-Y172 AromaticContact CE2-CE2 3.69Å; Y72-Y172 HydrophobicContact CE2-CE2 3.69Å; Q73-Y172 VanDerWaalsContact O-CD2 3.29Å; Q73-Y172 WeakPolarHBondContact O-CD2 3.33Å; D74-Y172 HydrophobicContact CB-CE2 4.14Å; D74-Y172 WeakPolarHBondContact OD1-CE2 3.44Å; D74-Y172 PolarHBondContact OD1-OH 3.15Å; K168-Y172 PolarHBondContact O-N 2.86Å; K169-Y172 WeakPolarHBondContact O-CB 3.2Å; K169-Y172 PolarHBondContact O-N 2.98Å; L170-Y172 VanDerWaalsContact C-N 3.3Å; L170-Y172 PolarHBondContact O-N 2.82Å; Y172-F174 VanDerWaalsContact C-N 3.25Å; Y172-F174 PolarHBondContact O-N 3.2Å; Y172-Q175 PolarHBondContact O-N 3.05Å; Y172-K176 HydrophobicContact CE1-CD 4.12Å; Y172-K176 VanDerWaalsContact O-CB 3.24Å; Y172-K176 WeakPolarHBondContact O-CB 3.45Å; Y172-K176 PolarHBondContact O-N 2.85Å; Y172-K176 PolarHBondContact OH-NZ 2.88Å
173	E	91.5	Very high	92.1	Very high	70 Å²	70	49.5 Å²	49.5	33%	0.327	24%	0.24	S	C	.	.	H	α-helix	trans	-60.5	-38.6	-179.5	-71.2	-173.9	-167.2	0	0	111.7	L114 K169 L170 E177	L114-E173 HydrophobicContact CD1-CB 4.33Å; L114-E173 HydrophobicContact CD2-CB 4.47Å; K169-E173 PolarHBondContact O-N 2.91Å; K169-E173 VanDerWaalsContact O-N 3.15Å; L170-E173 PolarHBondContact O-N 2.81Å; E173-E177 PolarHBondContact O-N 3Å
174	F	93.2	Very high	92.2	Very high	15 Å²	15	50.6 Å²	50.6	7%	0.066	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-49.3	175.9	175.4	-100.9	0	0	0	112.3	F88 W90 I111 L114 K115 I118 L170 D171 Y172 K176 E177 S178	F88-F174 HydrophobicContact CD2-CZ 4.06Å; F88-F174 AromaticContact CE2-CE1 3.92Å; F88-F174 HydrophobicContact CE2-CE1 3.92Å; F88-F174 AromaticContact CE2-CZ 3.49Å; F88-F174 HydrophobicContact CE2-CZ 3.49Å; F88-F174 VanDerWaalsContact CE2-CZ 3.49Å; F88-F174 HydrophobicContact CZ-CE1 4.24Å; F88-F174 AromaticContact CZ-CZ 3.84Å; F88-F174 HydrophobicContact CZ-CZ 3.84Å; W90-F174 HydrophobicContact CH2-CE2 4.05Å; W90-F174 HydrophobicContact CH2-CZ 4.34Å; W90-F174 HydrophobicContact CZ2-CE2 4.49Å; I111-F174 HydrophobicContact CG2-CD2 4.04Å; I111-F174 HydrophobicContact CG2-CE2 3.77Å; L114-F174 HydrophobicContact CB-CB 4.39Å; L114-F174 HydrophobicContact CB-CD2 4.21Å; K115-F174 HydrophobicContact CB-CD2 4.22Å; K115-F174 HydrophobicContact CB-CE2 3.73Å; K115-F174 HydrophobicContact CB-CZ 4.39Å; K115-F174 HydrophobicContact CD-CE2 4.17Å; K115-F174 HydrophobicContact CD-CZ 4Å; K115-F174 HydrophobicContact CG-CE2 4.32Å; I118-F174 HydrophobicContact CD1-CB 3.32Å; I118-F174 HydrophobicContact CD1-CD1 4.03Å; I118-F174 HydrophobicContact CD1-CD2 4.31Å; I118-F174 HydrophobicContact CD1-CG 3.63Å; L170-F174 WeakPolarHBondContact O-CB 3.44Å; L170-F174 PolarHBondContact O-N 3.43Å; D171-F174 PolarHBondContact O-N 2.83Å; Y172-F174 VanDerWaalsContact C-N 3.25Å; Y172-F174 PolarHBondContact O-N 3.2Å; F174-K176 VanDerWaalsContact C-N 3.34Å; F174-K176 PolarHBondContact O-N 3.07Å; F174-E177 PolarHBondContact O-N 3.47Å; F174-S178 WeakPolarHBondContact O-CB 3.46Å; F174-S178 PolarHBondContact O-N 3.4Å; F174-S178 PolarHBondContact O-OG 3.21Å
175	Q	91.5	Very high	92.3	Very high	46 Å²	46	48.1 Å²	48.1	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-40.7	-179.2	-74.8	-178.5	15.7	0	0	111.5	Y72 D171 Y172 E177 S178 L179	Y72-Q175 HydrophobicContact CD1-CB 4.38Å; Y72-Q175 HydrophobicContact CG-CB 4.09Å; D171-Q175 VanDerWaalsContact CG-NE2 3.3Å; D171-Q175 WeakPolarHBondContact O-CB 3.26Å; D171-Q175 VanDerWaalsContact O-CG 3.27Å; D171-Q175 WeakPolarHBondContact O-CG 3.32Å; D171-Q175 PolarHBondContact O-N 3.19Å; D171-Q175 PolarHBondContact OD1-NE2 3.45Å; D171-Q175 VanDerWaalsContact OD1-NE2 3.14Å; D171-Q175 PolarHBondContact OD2-NE2 3.4Å; Y172-Q175 PolarHBondContact O-N 3.05Å; Q175-E177 VanDerWaalsContact C-N 3.3Å; Q175-E177 PolarHBondContact O-N 3.38Å; Q175-S178 PolarHBondContact O-N 2.81Å; Q175-L179 HydrophobicContact CB-CD1 4.12Å; Q175-L179 WeakPolarHBondContact O-CB 3.34Å; Q175-L179 WeakPolarHBondContact O-CG 3.43Å; Q175-L179 PolarHBondContact O-N 3.4Å
176	K	89.7	Confident	92.6	Very high	85 Å²	85	43.8 Å²	43.8	37%	0.37	21%	0.207	S	C	.	.	H	α-helix	trans	-54.2	-43.6	175.7	-179.5	174.5	-169.9	163.1	0	112.7	Y72 Y172 F174 H180	Y72-K176 HydrophobicContact CE2-CB 4.13Å; Y172-K176 HydrophobicContact CE1-CD 4.12Å; Y172-K176 VanDerWaalsContact O-CB 3.24Å; Y172-K176 WeakPolarHBondContact O-CB 3.45Å; Y172-K176 PolarHBondContact O-N 2.85Å; Y172-K176 PolarHBondContact OH-NZ 2.88Å; F174-K176 VanDerWaalsContact C-N 3.34Å; F174-K176 PolarHBondContact O-N 3.07Å; K176-H180 PolarHBondContact O-CE1 3.37Å; K176-H180 PolarHBondContact O-ND1 2.88Å
177	E	90	Very high	92.7	Very high	68 Å²	68	46.6 Å²	46.6	32%	0.318	23%	0.227	S	C	.	.	H	α-helix	trans	-84	-46	178.9	-66.8	-66.9	161.2	0	0	111.9	I111 E173 F174 Q175 H180	I111-E177 HydrophobicContact CD1-CB 3.84Å; I111-E177 HydrophobicContact CG1-CB 3.83Å; E173-E177 PolarHBondContact O-N 3Å; F174-E177 PolarHBondContact O-N 3.47Å; Q175-E177 VanDerWaalsContact C-N 3.3Å; Q175-E177 PolarHBondContact O-N 3.38Å; E177-H180 PolarHBondContact O-N 3.27Å
178	S	93	Very high	92.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-72.6	-33.5	-168.4	67.4	0	0	0	0	114	F174 Q175 H180 L181	F174-S178 WeakPolarHBondContact O-CB 3.46Å; F174-S178 PolarHBondContact O-N 3.4Å; F174-S178 PolarHBondContact O-OG 3.21Å; Q175-S178 PolarHBondContact O-N 2.81Å; S178-H180 VanDerWaalsContact C-N 3.25Å; S178-H180 PolarHBondContact O-N 3.26Å; S178-L181 WeakPolarHBondContact O-CB 3.33Å; S178-L181 PolarHBondContact O-N 3.09Å
179	L	92.5	Very high	92.9	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.058	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.5	179.2	-70.2	172.6	0	0	0	112.9	L71 Y72 P84 P86 Q175 L181 R471	L71-L179 HydrophobicContact CB-CD1 4.12Å; Y72-L179 HydrophobicContact CD1-CD1 3.64Å; Y72-L179 HydrophobicContact CE1-CD1 4.47Å; Y72-L179 HydrophobicContact CG-CD1 4.39Å; P84-L179 HydrophobicContact CB-CD2 3.71Å; P84-L179 HydrophobicContact CG-CD1 4.28Å; P84-L179 HydrophobicContact CG-CD2 4.16Å; P86-L179 HydrophobicContact CG-CD2 4.06Å; Q175-L179 HydrophobicContact CB-CD1 4.12Å; Q175-L179 WeakPolarHBondContact O-CB 3.34Å; Q175-L179 WeakPolarHBondContact O-CG 3.43Å; Q175-L179 PolarHBondContact O-N 3.4Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-R471 PolarHBondContact O-NH2 3.41Å
180	H	91.6	Very high	93	Very high	72 Å²	72	39.3 Å²	39.3	33%	0.333	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-8.1	174.3	-70	92.8	0	0	0	113.5	F106 K176 E177 S178	F106-H180 HydrophobicContact CE1-CB 3.92Å; F106-H180 HydrophobicContact CZ-CB 3.99Å; F106-H180 VanDerWaalsContact CZ-O 3.23Å; F106-H180 WeakPolarHBondContact CZ-O 3.44Å; K176-H180 PolarHBondContact O-CE1 3.37Å; K176-H180 PolarHBondContact O-ND1 2.88Å; E177-H180 PolarHBondContact O-N 3.27Å; S178-H180 VanDerWaalsContact C-N 3.25Å; S178-H180 PolarHBondContact O-N 3.26Å
181	L	94.6	Very high	92.9	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-64	136.7	175.8	-70	168.3	0	0	0	110.5	F88 W90 I93 V97 F106 I111 S178 L179	F88-L181 HydrophobicContact CD1-CD1 4.41Å; F88-L181 HydrophobicContact CE1-CD1 4.15Å; W90-L181 HydrophobicContact CZ3-CD1 4.21Å; I93-L181 HydrophobicContact CG2-CD1 4.17Å; I93-L181 HydrophobicContact CG2-CD2 4.17Å; V97-L181 HydrophobicContact CG2-CD2 4.17Å; F106-L181 HydrophobicContact CB-CD2 4.16Å; F106-L181 HydrophobicContact CD1-CD2 3.94Å; F106-L181 HydrophobicContact CD2-CD2 4.21Å; F106-L181 HydrophobicContact CE1-CD2 4.36Å; F106-L181 HydrophobicContact CG-CD2 3.85Å; I111-L181 HydrophobicContact CD1-CD1 4.18Å; I111-L181 HydrophobicContact CD1-CD2 4.16Å; I111-L181 HydrophobicContact CD1-CG 4.38Å; S178-L181 WeakPolarHBondContact O-CB 3.33Å; S178-L181 PolarHBondContact O-N 3.09Å; L179-L181 VanDerWaalsContact C-N 3.33Å
182	P	95.1	Very high	92.5	Very high	4 Å²	4	41 Å²	41	3%	0.026	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-70.4	162.7	177.6	32.2	-36	0	0	0	111.1	V97 M102 S434	V97-P182 HydrophobicContact CG2-CG 3.88Å; M102-P182 HydrophobicContact SD-CB 4.44Å; M102-P182 HydrophobicContact SD-CG 4.06Å; P182-S434 CarbonylContact C-O 3.5Å
183	N	96.3	Very high	91.2	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.059	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-66.3	157.3	173.6	-158.3	1.5	0	0	0	111.4	S96 R100 S434 C435 M437 I464 W467	S96-N183 PolarHBondContact OG-O 2.69Å; R100-N183 PolarHBondContact NH2-O 2.86Å; R100-N183 VanDerWaalsContact NH2-O 3.11Å; N183-S434 VanDerWaalsContact CB-O 3.26Å; N183-S434 WeakPolarHBondContact CB-O 3.45Å; N183-S434 PolarHBondContact N-O 3.21Å; N183-C435 PolarHBondContact ND2-O 3.16Å; N183-M437 HydrophobicContact CB-CG 4.47Å; N183-M437 WeakPolarHBondContact ND2-CG 2.92Å; N183-I464 PolarHBondContact ND2-O 3.03Å; N183-W467 HydrophobicContact CB-CB 4.31Å; N183-W467 HydrophobicContact CB-CD2 4.45Å; N183-W467 HydrophobicContact CB-CG 3.84Å; N183-W467 VanDerWaalsContact ND2-CB 3.31Å; N183-W467 WeakPolarHBondContact ND2-CB 3.48Å
184	I	96.2	Very high	89.5	Confident	47 Å²	47	50.9 Å²	50.9	24%	0.241	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-67.6	133.9	177.4	-62.7	167.1	0	0	0	108.8	N89 I93 M437	N89-I184 HydrophobicContact CB-CD1 4.24Å; I93-I184 HydrophobicContact CG1-CG1 4.19Å; I184-M437 HydrophobicContact CB-CE 4.5Å; I184-M437 WeakPolarHBondContact O-CA 2.64Å; I184-M437 VanDerWaalsContact O-CB 3.27Å; I184-M437 WeakPolarHBondContact O-CB 3.19Å; I184-M437 VanDerWaalsContact O-CG 3.23Å; I184-M437 WeakPolarHBondContact O-CG 3.39Å
185	I	96.1	Very high	87.5	Confident	26 Å²	26	58.2 Å²	58.2	13%	0.133	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-74.7	146.6	176.6	59.6	175.2	0	0	0	111.2	T95 A99 T189 V191 A429 L432 M437	T95-I185 HydrophobicContact CG2-CD1 4.45Å; A99-I185 HydrophobicContact CB-CD1 3.54Å; I185-T189 HydrophobicContact CB-CG2 4.48Å; I185-T189 HydrophobicContact CG2-CG2 4.48Å; I185-V191 HydrophobicContact CD1-CG2 4.27Å; I185-A429 HydrophobicContact CG2-CB 4.48Å; I185-L432 HydrophobicContact CG2-CD1 4.43Å; I185-M437 WeakPolarHBondContact CA-O 3.37Å
186	H	96.4	Very high	85.5	Confident	16 Å²	16	62.7 Å²	62.7	7%	0.074	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-73.3	156.6	170.4	-164	-105.6	0	0	0	111.5	L188 T189 E399 M437 L438	H186-L188 PolarHBondContact ND1-N 3.07Å; H186-L188 PolarHBondContact O-N 3.04Å; H186-T189 PolarHBondContact N-OG1 3.24Å; H186-T189 VanDerWaalsContact O-CB 3.29Å; H186-T189 WeakPolarHBondContact O-CB 3.24Å; H186-T189 PolarHBondContact O-N 3.43Å; H186-T189 VanDerWaalsContact O-N 3.1Å; H186-T189 PolarHBondContact O-OG1 3.33Å; H186-E399 IonicContact CE1-OE1 2.74Å; H186-E399 PolarHBondContact CE1-OE1 2.91Å; H186-E399 IonicContact NE2-OE1 2.78Å; H186-E399 PolarHBondContact NE2-OE1 3.38Å; H186-E399 VanDerWaalsContact NE2-OE1 3.16Å; H186-E399 IonicContact NE2-OE2 2.66Å; H186-M437 PolarHBondContact N-O 2.82Å; H186-L438 HydrophobicContact CB-CB 3.79Å; H186-L438 HydrophobicContact CB-CD2 4.3Å; H186-L438 HydrophobicContact CB-CG 4.49Å
187	S	94	Very high	84.1	Confident	110 Å²	110	64.9 Å²	64.9	77%	0.769	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.8	178.2	58.1	0	0	0	0	113.5	T189	S187-T189 VanDerWaalsContact C-N 3.3Å
188	L	93.7	Very high	83.2	Confident	78 Å²	78	67.5 Å²	67.5	41%	0.408	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.5	177	-62.7	175.8	0	0	0	113.7	H186 P190 L438	H186-L188 PolarHBondContact ND1-N 3.07Å; H186-L188 PolarHBondContact O-N 3.04Å; L188-P190 VanDerWaalsContact O-CD 3.32Å; L188-P190 WeakPolarHBondContact O-CD 3.41Å; L188-L438 HydrophobicContact CB-CD1 4.42Å; L188-L438 HydrophobicContact CB-CD2 4.07Å; L188-L438 HydrophobicContact CD1-CD2 4.38Å
189	T	94.3	Very high	82.8	Confident	9 Å²	9	70.1 Å²	70.1	6%	0.055	37%	0.372	C	S	.	.	S	Bend	trans	-69.8	122.2	-177.2	-59.2	0	0	0	0	110	I185 H186 S187 A429 L432 M437 L438	I185-T189 HydrophobicContact CB-CG2 4.48Å; I185-T189 HydrophobicContact CG2-CG2 4.48Å; H186-T189 PolarHBondContact N-OG1 3.24Å; H186-T189 VanDerWaalsContact O-CB 3.29Å; H186-T189 WeakPolarHBondContact O-CB 3.24Å; H186-T189 PolarHBondContact O-N 3.43Å; H186-T189 VanDerWaalsContact O-N 3.1Å; H186-T189 PolarHBondContact O-OG1 3.33Å; S187-T189 VanDerWaalsContact C-N 3.3Å; T189-A429 HydrophobicContact CG2-CB 3.8Å; T189-L432 HydrophobicContact CG2-CD1 3.68Å; T189-M437 PolarHBondContact OG1-O 2.93Å; T189-L438 WeakPolarHBondContact OG1-CD1 3.41Å
190	P	92.3	Very high	82.7	Confident	34 Å²	34	72.2 Å²	72.2	22%	0.221	38%	0.382	C	S	.	.			trans	-61.6	137.5	175.7	-21	31.9	0	0	0	112.2	L188 T427 A429	L188-P190 VanDerWaalsContact O-CD 3.32Å; L188-P190 WeakPolarHBondContact O-CD 3.41Å; P190-T427 WeakPolarHBondContact CD-O 3.43Å; P190-A429 PolarHBondContact O-N 3.49Å
191	V	90	Very high	82.7	Confident	68 Å²	68	72.1 Å²	72.1	41%	0.412	38%	0.381	S	S	.	.			trans	-130.2	128.9	178.7	-175	0	0	0	0	110.5	A99 I185 A429	A99-V191 HydrophobicContact CB-CG1 3.91Å; A99-V191 HydrophobicContact CB-CG2 3.94Å; I185-V191 HydrophobicContact CD1-CG2 4.27Å; V191-A429 HydrophobicContact CG2-CB 4.19Å
192	G	81.7	Confident	82.6	Confident	28 Å²	28	75.1 Å²	75.1	29%	0.289	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-148.9	171.3	0	0	0	0	0	114.2	M194	G192-M194 PolarHBondContact O-N 3.21Å
193	E	61.5	Low	82.5	Confident	191 Å²	191	76.4 Å²	76.4	89%	0.893	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	11.9	-177.9	-68.4	-170.5	170.8	0	0	114.6	K195	E193-K195 PolarHBondContact O-N 3.49Å
194	M	55.6	Low	82.1	Confident	144 Å²	144	82 Å²	82	71%	0.709	44%	0.436	S	S	*	.			trans	-65.9	44.3	156.2	-74.4	-165.5	124.5	0	0	111.7	G192 L196	G192-M194 PolarHBondContact O-N 3.21Å; M194-L196 PolarHBondContact O-N 2.94Å
195	K	52.4	Low	81.3	Confident	169 Å²	169	82 Å²	82	74%	0.735	44%	0.435	S	S	*	.			trans	-62.5	6.5	165.9	-81.7	-172.8	173.1	-177.8	0	113.2	E193 Q197	E193-K195 PolarHBondContact O-N 3.49Å; K195-Q197 PolarHBondContact O-N 3.26Å
196	L	49.5	Very low	80	Confident	140 Å²	140	85 Å²	85	73%	0.733	45%	0.451	S	S	*	.			trans	-73.8	83.8	165.1	-85	147	0	0	0	107.8	M194 N198	M194-L196 PolarHBondContact O-N 2.94Å; L196-N198 PolarHBondContact O-N 3.2Å
197	Q	59	Low	78.5	Confident	132 Å²	132	91.7 Å²	91.7	62%	0.617	49%	0.487	S	S	*	.			trans	-57.4	58	160.7	-65.1	178.7	-10.7	0	0	109.9	K195 P199	K195-Q197 PolarHBondContact O-N 3.26Å; Q197-P199 WeakPolarHBondContact O-CD 3.5Å
198	N	71.1	Confident	77	Confident	122 Å²	122	92.9 Å²	92.9	65%	0.652	48%	0.48	S	S	*	.			trans	-63.8	115.2	168	-80.7	-16.4	0	0	0	105.8	L196 I200	L196-N198 PolarHBondContact O-N 3.2Å; N198-I200 PolarHBondContact O-N 3.22Å
199	P	84.6	Confident	75.4	Confident	57 Å²	57	94.6 Å²	94.6	37%	0.37	51%	0.505	S	S	.	.			trans	-61.6	132.8	178.9	27.1	-33.1	0	0	0	107.8	Q197 K201 K423 L424 T425	Q197-P199 WeakPolarHBondContact O-CD 3.5Å; P199-K201 PolarHBondContact O-N 3.45Å; P199-K423 HydrophobicContact CB-CB 4.08Å; P199-L424 CarbonylContact C-O 3.5Å; P199-L424 WeakPolarHBondContact CA-O 3.34Å; P199-T425 HydrophobicContact CB-CG2 4.49Å
200	I	89.8	Confident	74.4	Confident	54 Å²	54	96 Å²	96	28%	0.277	52%	0.516	S	S	.	.	S	Bend	trans	-55.4	-45.3	168.1	-55.7	166.5	0	0	0	107.6	N198 L424 Y426 A440	N198-I200 PolarHBondContact O-N 3.22Å; I200-L424 HydrophobicContact CB-CD2 4.03Å; I200-L424 HydrophobicContact CB-CG 4.45Å; I200-L424 HydrophobicContact CD1-CD2 4.01Å; I200-L424 HydrophobicContact CD1-CG 4.15Å; I200-L424 HydrophobicContact CG2-CD2 4.12Å; I200-L424 PolarHBondContact N-O 2.95Å; I200-Y426 HydrophobicContact CD1-CD1 3.63Å; I200-Y426 HydrophobicContact CD1-CD2 3.65Å; I200-Y426 HydrophobicContact CD1-CE1 3.49Å; I200-Y426 VanDerWaalsContact CD1-CE1 3.49Å; I200-Y426 HydrophobicContact CD1-CE2 3.52Å; I200-Y426 HydrophobicContact CD1-CG 3.71Å; I200-Y426 VanDerWaalsContact CD1-CZ 3.44Å; I200-Y426 HydrophobicContact CG1-CD2 3.83Å; I200-Y426 HydrophobicContact CG1-CE2 3.7Å; I200-Y426 HydrophobicContact CG1-CG 4.32Å; I200-A440 HydrophobicContact CD1-CB 4.25Å
201	K	93.2	Very high	74	Confident	71 Å²	71	101.3 Å²	101.3	31%	0.309	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.5	173	-67	-167.3	177.2	-171.7	0	110.9	P199 E407 F410 K423 L424	P199-K201 PolarHBondContact O-N 3.45Å; K201-E407 WeakPolarHBondContact CE-OE1 3.32Å; K201-E407 IonicContact NZ-OE1 3.34Å; K201-E407 PolarHBondContact NZ-OE1 3.09Å; K201-E407 IonicContact NZ-OE2 3.92Å; K201-E407 PolarHBondContact NZ-OE2 3.45Å; K201-F410 HydrophobicContact CB-CD1 4.17Å; K201-F410 HydrophobicContact CB-CD2 4.04Å; K201-F410 HydrophobicContact CB-CE1 3.82Å; K201-F410 HydrophobicContact CB-CE2 3.7Å; K201-F410 HydrophobicContact CB-CG 4.26Å; K201-F410 HydrophobicContact CB-CZ 3.59Å; K201-F410 HydrophobicContact CD-CD1 3.74Å; K201-F410 HydrophobicContact CD-CE1 3.93Å; K201-F410 HydrophobicContact CD-CG 4.19Å; K201-F410 HydrophobicContact CG-CE1 4.49Å; K201-K423 WeakPolarHBondContact O-CA 3.12Å; K201-L424 PolarHBondContact O-N 2.99Å
202	S	92.7	Very high	73.9	Confident	67 Å²	67	102.3 Å²	102.3	47%	0.469	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.2	171.6	56.5	0	0	0	0	110.4
203	Y	91.3	Very high	74.3	Confident	30 Å²	30	101.6 Å²	101.6	12%	0.118	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.3	172	177	-99	0	0	0	107.8	Q414 Q417 S421 Y422	Y203-Q414 HydrophobicContact CD2-CG 3.84Å; Y203-Q414 HydrophobicContact CE2-CG 4.3Å; Y203-Q414 HydrophobicContact CG-CG 4.35Å; Y203-Q417 PolarHBondContact OH-NE2 3.39Å; Y203-S421 WeakPolarHBondContact O-CA 2.99Å; Y203-S421 WeakPolarHBondContact O-CB 3.33Å; Y203-Y422 HydrophobicContact CD1-CD1 4.12Å; Y203-Y422 AromaticContact CD1-CE1 3.41Å; Y203-Y422 HydrophobicContact CD1-CE1 3.41Å; Y203-Y422 VanDerWaalsContact CD1-CE1 3.41Å; Y203-Y422 HydrophobicContact CD1-CE2 4.1Å; Y203-Y422 AromaticContact CD1-CZ 3.38Å; Y203-Y422 WeakPolarHBondContact CD1-OH 3.5Å; Y203-Y422 HydrophobicContact CE1-CE1 4.07Å; Y203-Y422 HydrophobicContact CG-CE1 4.05Å; Y203-Y422 AromaticContact CG-CE2 3.87Å; Y203-Y422 HydrophobicContact CG-CE2 3.87Å; Y203-Y422 AromaticContact CG-CZ 3.52Å; Y203-Y422 PolarHBondContact N-O 2.76Å; Y203-Y422 PolarHBondContact O-N 3.17Å
204	L	88.3	Confident	75.7	Confident	128 Å²	128	97 Å²	97	67%	0.67	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-90.6	130.1	172.5	-76.3	155.4	0	0	0	108.5	N206	L204-N206 PolarHBondContact O-N 3.28Å
205	K	79.9	Confident	77.4	Confident	49 Å²	49	92 Å²	92	21%	0.213	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-55.9	125.6	175.1	-177.9	-158.9	176.5	180	0	110.7	G419 S421 Y512	K205-G419 WeakPolarHBondContact CD-O 2.9Å; K205-G419 WeakPolarHBondContact CE-O 3.45Å; K205-G419 WeakPolarHBondContact CG-O 3.23Å; K205-S421 PolarHBondContact N-OG 3.35Å; K205-Y512 PolarHBondContact NZ-OH 2.93Å
206	N	69.5	Low	79.3	Confident	89 Å²	89	88.1 Å²	88.1	48%	0.476	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-80.2	138.3	168	-72.2	-14.6	0	0	0	111.2	L204 H208	L204-N206 PolarHBondContact O-N 3.28Å; N206-H208 VanDerWaalsContact CB-CD2 3.48Å; N206-H208 WeakPolarHBondContact CB-CD2 3.42Å; N206-H208 PolarHBondContact O-N 2.67Å
207	N	65.1	Low	81.2	Confident	155 Å²	155	86.9 Å²	86.9	83%	0.829	46%	0.463	S	S	*	.			trans	-74.6	46	176.3	-78.5	-20.5	0	0	0	112.7
208	H	62.4	Low	82.8	Confident	136 Å²	136	80.8 Å²	80.8	63%	0.63	44%	0.435	S	S	*	.			trans	-75.9	142.7	171.3	-68.5	-58.3	0	0	0	110.4	N206 S210	N206-H208 VanDerWaalsContact CB-CD2 3.48Å; N206-H208 WeakPolarHBondContact CB-CD2 3.42Å; N206-H208 PolarHBondContact O-N 2.67Å; H208-S210 PolarHBondContact O-N 3.07Å
209	A	60.1	Low	83.6	Confident	113 Å²	113	77 Å²	77	93%	0.934	42%	0.42	S	S	*	.			trans	-72.7	79.2	175.8	0	0	0	0	0	109.8
210	S	72.8	Confident	83.9	Confident	40 Å²	40	83.1 Å²	83.1	28%	0.28	44%	0.444	S	S	.	.			trans	-90.1	141.8	167.6	44.6	0	0	0	0	109.6	H208 K212 N514	H208-S210 PolarHBondContact O-N 3.07Å; S210-K212 PolarHBondContact O-N 3.2Å; S210-N514 PolarHBondContact OG-ND2 2.86Å; S210-N514 PolarHBondContact OG-OD1 3.43Å
211	K	84.2	Confident	83.9	Confident	145 Å²	145	82.1 Å²	82.1	63%	0.63	44%	0.439	S	S	*	.			trans	-61.9	134.8	169.7	-166	171.2	170.3	-130.5	0	108.2	E515	K211-E515 HydrophobicContact CB-CB 4.19Å; K211-E515 WeakPolarHBondContact CD-OE2 3.34Å; K211-E515 WeakPolarHBondContact CE-OE2 3.48Å; K211-E515 HydrophobicContact CG-CB 4.45Å; K211-E515 WeakPolarHBondContact CG-OE2 3.43Å; K211-E515 IonicContact NZ-OE1 3.6Å; K211-E515 PolarHBondContact NZ-OE1 2.96Å; K211-E515 IonicContact NZ-OE2 3.34Å; K211-E515 PolarHBondContact NZ-OE2 3.02Å; K211-E515 WeakPolarHBondContact O-CB 3.24Å; K211-E515 PolarHBondContact O-N 3.39Å
212	K	87.2	Confident	83.6	Confident	89 Å²	89	80.5 Å²	80.5	39%	0.387	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.6	-176.2	-65.8	179.6	-175.2	173.1	0	110.4	S210 F214 Y512 M513	S210-K212 PolarHBondContact O-N 3.2Å; K212-F214 HydrophobicContact CB-CE2 4.12Å; K212-F214 HydrophobicContact CB-CZ 4.14Å; K212-F214 HydrophobicContact CD-CZ 4.29Å; K212-Y512 HydrophobicContact CD-CD2 3.83Å; K212-Y512 HydrophobicContact CD-CE2 4.31Å; K212-Y512 HydrophobicContact CD-CG 4.28Å; K212-Y512 HydrophobicContact CG-CD2 4.18Å; K212-M513 WeakPolarHBondContact CA-O 3.49Å
213	V	89.4	Confident	83.3	Confident	12 Å²	12	83.5 Å²	83.5	7%	0.073	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131	164	-172.5	0	0	0	0	107.5	L218 F507 Y512 M513 E515	V213-L218 HydrophobicContact CG1-CD1 3.46Å; V213-L218 VanDerWaalsContact CG1-CD1 3.46Å; V213-L218 HydrophobicContact CG1-CG 4.17Å; V213-F507 HydrophobicContact CG1-CZ 4.15Å; V213-F507 WeakPolarHBondContact O-CE2 3.23Å; V213-Y512 CarbonylContact O-C 3.59Å; V213-Y512 VanDerWaalsContact O-CA 3.23Å; V213-Y512 WeakPolarHBondContact O-CA 3.37Å; V213-M513 PolarHBondContact N-O 3.24Å; V213-M513 PolarHBondContact O-N 2.77Å; V213-E515 HydrophobicContact CG2-CB 3.68Å; V213-E515 HydrophobicContact CG2-CG 3.72Å
214	F	91.2	Very high	82.8	Confident	96 Å²	96	87 Å²	87	42%	0.421	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.9	179.3	-66.8	-83.2	0	0	0	110.5	K212 S216 N217 G511	K212-F214 HydrophobicContact CB-CE2 4.12Å; K212-F214 HydrophobicContact CB-CZ 4.14Å; K212-F214 HydrophobicContact CD-CZ 4.29Å; F214-S216 VanDerWaalsContact C-N 3.26Å; F214-S216 PolarHBondContact O-N 3.41Å; F214-N217 WeakPolarHBondContact O-CB 3.33Å; F214-N217 PolarHBondContact O-N 3.09Å; F214-N217 VanDerWaalsContact O-N 3.12Å; F214-G511 WeakPolarHBondContact CA-O 3.49Å
215	W	91.4	Very high	82.3	Confident	37 Å²	37	84.1 Å²	84.1	14%	0.14	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-58.9	-39.8	179.5	173	-109.8	0	0	0	111.9	N217 L218 A219 I222 L504 F507 K508 G511	W215-N217 PolarHBondContact O-N 2.94Å; W215-L218 CarbonylContact O-C 3.5Å; W215-L218 PolarHBondContact O-N 3.24Å; W215-A219 HydrophobicContact CZ2-CB 4.49Å; W215-A219 PolarHBondContact O-N 3.4Å; W215-I222 HydrophobicContact CH2-CD1 3.3Å; W215-I222 HydrophobicContact CH2-CG1 4.5Å; W215-I222 HydrophobicContact CZ2-CD1 3.98Å; W215-I222 HydrophobicContact CZ3-CD1 4.18Å; W215-L504 HydrophobicContact CH2-CD1 4Å; W215-L504 HydrophobicContact CH2-CD2 4.49Å; W215-L504 HydrophobicContact CH2-CG 4.08Å; W215-L504 HydrophobicContact CZ3-CD1 3.58Å; W215-L504 HydrophobicContact CZ3-CG 4.06Å; W215-F507 HydrophobicContact CB-CD2 4.23Å; W215-F507 HydrophobicContact CB-CE2 3.88Å; W215-F507 HydrophobicContact CB-CZ 4.13Å; W215-F507 AromaticContact CE3-CD1 3.62Å; W215-F507 HydrophobicContact CE3-CD1 3.62Å; W215-F507 AromaticContact CE3-CE1 3.67Å; W215-F507 HydrophobicContact CE3-CE1 3.67Å; W215-F507 HydrophobicContact CE3-CG 4.15Å; W215-F507 HydrophobicContact CE3-CZ 4.22Å; W215-F507 HydrophobicContact CZ3-CD1 4.04Å; W215-F507 HydrophobicContact CZ3-CE1 4.28Å; W215-F507 VanDerWaalsContact N-CE2 3.35Å; W215-K508 HydrophobicContact CD2-CB 4.17Å; W215-K508 HydrophobicContact CD2-CG 4.46Å; W215-K508 HydrophobicContact CH2-CB 4.28Å; W215-K508 HydrophobicContact CZ2-CB 3.98Å; W215-K508 HydrophobicContact CZ2-CD 3.95Å; W215-K508 HydrophobicContact CZ2-CG 3.88Å; W215-G511 PolarHBondContact N-O 3.13Å
216	S	92.2	Very high	81.8	Confident	88 Å²	88	85.3 Å²	85.3	62%	0.615	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-53	-28.2	177.7	55.6	0	0	0	0	113.5	F214	F214-S216 VanDerWaalsContact C-N 3.26Å; F214-S216 PolarHBondContact O-N 3.41Å
217	N	90.8	Very high	81.9	Confident	114 Å²	114	86.4 Å²	86.4	61%	0.61	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-86.7	-11.2	-177.6	-58.5	-3	0	0	0	112.8	F214 W215	F214-N217 WeakPolarHBondContact O-CB 3.33Å; F214-N217 PolarHBondContact O-N 3.09Å; F214-N217 VanDerWaalsContact O-N 3.12Å; W215-N217 PolarHBondContact O-N 2.94Å
218	L	91.2	Very high	82.5	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.026	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-3.7	-175.5	-62	179.8	0	0	0	112.6	V213 W215 E220 D221 R234 L238 F507	V213-L218 HydrophobicContact CG1-CD1 3.46Å; V213-L218 VanDerWaalsContact CG1-CD1 3.46Å; V213-L218 HydrophobicContact CG1-CG 4.17Å; W215-L218 CarbonylContact O-C 3.5Å; W215-L218 PolarHBondContact O-N 3.24Å; L218-E220 PolarHBondContact O-N 2.91Å; L218-D221 WeakPolarHBondContact CD2-OD2 3.15Å; L218-D221 WeakPolarHBondContact O-CB 3.37Å; L218-D221 PolarHBondContact O-N 3.47Å; L218-R234 HydrophobicContact CD2-CB 3.66Å; L218-R234 HydrophobicContact CD2-CG 3.95Å; L218-L238 HydrophobicContact CD1-CD1 3.52Å; L218-F507 HydrophobicContact CD1-CE1 3.84Å; L218-F507 HydrophobicContact CD1-CZ 4.07Å
219	A	88.7	Confident	83.4	Confident	42 Å²	42	75.1 Å²	75.1	35%	0.347	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-60.5	-32.5	-177.3	0	0	0	0	0	112.2	W215 D221	W215-A219 HydrophobicContact CZ2-CB 4.49Å; W215-A219 PolarHBondContact O-N 3.4Å; A219-D221 VanDerWaalsContact C-N 3.3Å
220	E	90.3	Very high	84.6	Confident	186 Å²	186	74.9 Å²	74.9	87%	0.869	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-76.8	-13.7	177.6	-62.6	-176.5	176.5	0	0	113.4	L218 I222	L218-E220 PolarHBondContact O-N 2.91Å; E220-I222 PolarHBondContact O-N 2.83Å
221	D	90.4	Very high	85.4	Confident	32 Å²	32	74.7 Å²	74.7	17%	0.171	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-77.6	6.1	176.2	-74.2	-4.6	0	0	0	112.4	L218 A219 Y231 T232 R234 L235	L218-D221 WeakPolarHBondContact CD2-OD2 3.15Å; L218-D221 WeakPolarHBondContact O-CB 3.37Å; L218-D221 PolarHBondContact O-N 3.47Å; A219-D221 VanDerWaalsContact C-N 3.3Å; D221-Y231 WeakPolarHBondContact O-CA 3.33Å; D221-T232 WeakPolarHBondContact CB-O 3.42Å; D221-T232 PolarHBondContact O-N 2.61Å; D221-T232 PolarHBondContact O-OG1 3.11Å; D221-R234 PolarHBondContact OD2-N 2.98Å; D221-L235 HydrophobicContact CB-CB 3.6Å; D221-L235 HydrophobicContact CB-CD2 4.4Å; D221-L235 PolarHBondContact OD2-N 2.9Å
222	I	87.3	Confident	85.7	Confident	37 Å²	37	71 Å²	71	19%	0.19	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.1	176.7	-61.8	-176	0	0	0	109.5	W215 E220 T229 Y231 L235 L504	W215-I222 HydrophobicContact CH2-CD1 3.3Å; W215-I222 HydrophobicContact CH2-CG1 4.5Å; W215-I222 HydrophobicContact CZ2-CD1 3.98Å; W215-I222 HydrophobicContact CZ3-CD1 4.18Å; E220-I222 PolarHBondContact O-N 2.83Å; I222-T229 HydrophobicContact CG2-CG2 3.79Å; I222-Y231 HydrophobicContact CD1-CE1 4.42Å; I222-Y231 HydrophobicContact CG1-CD1 4.13Å; I222-Y231 HydrophobicContact CG1-CE1 4.34Å; I222-L235 HydrophobicContact CD1-CD2 3.77Å; I222-L235 HydrophobicContact CG1-CD2 3.34Å; I222-L504 HydrophobicContact CD1-CD2 3.99Å
223	Y	84.8	Confident	85.9	Confident	131 Å²	131	69.4 Å²	69.4	51%	0.514	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.2	176.8	-169.7	-109.9	0	0	0	110	E225 Y230	Y223-E225 HydrophobicContact CD1-CG 3.76Å; Y223-E225 HydrophobicContact CE1-CG 3.27Å; Y223-E225 WeakPolarHBondContact CE1-OE1 3.4Å; Y223-E225 PolarHBondContact OH-OE1 3.14Å; Y223-Y230 PolarHBondContact N-O 2.99Å; Y223-Y230 PolarHBondContact O-N 3.37Å
224	N	81.6	Confident	86	Confident	102 Å²	102	74.2 Å²	74.2	55%	0.545	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.1	179.5	-65.1	-53.6	0	0	0	110.1	T229	N224-T229 WeakPolarHBondContact OD1-CG2 3.43Å; N224-T229 PolarHBondContact OD1-OG1 3.3Å
225	E	76.9	Confident	86	Confident	68 Å²	68	69.7 Å²	69.7	32%	0.318	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	168.1	177.3	-81.4	-70.3	-179.1	0	0	110.9	Y223 I227 G228 Y230	Y223-E225 HydrophobicContact CD1-CG 3.76Å; Y223-E225 HydrophobicContact CE1-CG 3.27Å; Y223-E225 WeakPolarHBondContact CE1-OE1 3.4Å; Y223-E225 PolarHBondContact OH-OE1 3.14Å; E225-I227 HydrophobicContact CB-CG1 4.31Å; E225-I227 PolarHBondContact O-N 3.43Å; E225-I227 VanDerWaalsContact O-N 3.09Å; E225-G228 PolarHBondContact N-O 3.25Å; E225-G228 PolarHBondContact O-N 3.47Å; E225-Y230 HydrophobicContact CB-CD2 4.25Å; E225-Y230 HydrophobicContact CB-CE2 3.92Å; E225-Y230 HydrophobicContact CG-CD2 4.35Å; E225-Y230 HydrophobicContact CG-CE2 4.27Å
226	V	70.5	Confident	85.9	Confident	74 Å²	74	69.5 Å²	69.5	45%	0.448	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.3	177.6	-179.7	0	0	0	0	111.8	F376 S378 P379	V226-F376 HydrophobicContact CG2-CB 4Å; V226-F376 HydrophobicContact CG2-CD1 3.85Å; V226-F376 HydrophobicContact CG2-CD2 4.33Å; V226-F376 HydrophobicContact CG2-CE1 4.41Å; V226-F376 HydrophobicContact CG2-CG 3.8Å; V226-S378 PolarHBondContact O-OG 3.34Å; V226-P379 WeakPolarHBondContact O-CD 3.23Å
227	I	71.4	Confident	85.9	Confident	113 Å²	113	71 Å²	71	58%	0.579	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.5	-175.9	57.9	178.7	0	0	0	114.1	E225 Y230	E225-I227 HydrophobicContact CB-CG1 4.31Å; E225-I227 PolarHBondContact O-N 3.43Å; E225-I227 VanDerWaalsContact O-N 3.09Å; I227-Y230 HydrophobicContact CD1-CE2 4.4Å; I227-Y230 WeakPolarHBondContact CD1-OH 3.27Å; I227-Y230 HydrophobicContact CG1-CE2 4.04Å; I227-Y230 VanDerWaalsContact CG1-OH 3.28Å; I227-Y230 WeakPolarHBondContact CG1-OH 3.16Å
228	G	77	Confident	85.8	Confident	12 Å²	12	66.5 Å²	66.5	12%	0.124	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.6	-173	177.1	0	0	0	0	0	115	E225 S378	E225-G228 PolarHBondContact N-O 3.25Å; E225-G228 PolarHBondContact O-N 3.47Å; G228-S378 WeakPolarHBondContact CA-OG 3.43Å; G228-S378 PolarHBondContact N-OG 3.07Å
229	T	81.8	Confident	85.8	Confident	42 Å²	42	67.8 Å²	67.8	26%	0.258	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.1	176	-58.6	0	0	0	0	110.5	I222 N224 Y231	I222-T229 HydrophobicContact CG2-CG2 3.79Å; N224-T229 WeakPolarHBondContact OD1-CG2 3.43Å; N224-T229 PolarHBondContact OD1-OG1 3.3Å; T229-Y231 HydrophobicContact CG2-CD1 4.21Å; T229-Y231 HydrophobicContact CG2-CE1 3.65Å
230	Y	85.2	Confident	86	Confident	108 Å²	108	72.9 Å²	72.9	42%	0.424	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.6	174.4	-65.1	-89.7	0	0	0	109.8	Y223 E225 I227	Y223-Y230 PolarHBondContact N-O 2.99Å; Y223-Y230 PolarHBondContact O-N 3.37Å; E225-Y230 HydrophobicContact CB-CD2 4.25Å; E225-Y230 HydrophobicContact CB-CE2 3.92Å; E225-Y230 HydrophobicContact CG-CD2 4.35Å; E225-Y230 HydrophobicContact CG-CE2 4.27Å; I227-Y230 HydrophobicContact CD1-CE2 4.4Å; I227-Y230 WeakPolarHBondContact CD1-OH 3.27Å; I227-Y230 HydrophobicContact CG1-CE2 4.04Å; I227-Y230 VanDerWaalsContact CG1-OH 3.28Å; I227-Y230 WeakPolarHBondContact CG1-OH 3.16Å
231	Y	89.4	Confident	86	Confident	35 Å²	35	66.2 Å²	66.2	14%	0.137	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.9	168.4	-52.1	-49.9	0	0	0	108.7	D221 I222 T229 L235 E239 F500 L504	D221-Y231 WeakPolarHBondContact O-CA 3.33Å; I222-Y231 HydrophobicContact CD1-CE1 4.42Å; I222-Y231 HydrophobicContact CG1-CD1 4.13Å; I222-Y231 HydrophobicContact CG1-CE1 4.34Å; T229-Y231 HydrophobicContact CG2-CD1 4.21Å; T229-Y231 HydrophobicContact CG2-CE1 3.65Å; Y231-L235 HydrophobicContact CD1-CD2 3.56Å; Y231-L235 HydrophobicContact CD1-CG 4.22Å; Y231-L235 HydrophobicContact CE1-CD2 4.2Å; Y231-L235 HydrophobicContact CG-CD2 4.16Å; Y231-L235 HydrophobicContact CG-CG 4.34Å; Y231-E239 WeakPolarHBondContact CE2-OE1 3.24Å; Y231-F500 HydrophobicContact CD2-CD1 4.15Å; Y231-F500 AromaticContact CD2-CE1 3.73Å; Y231-F500 HydrophobicContact CD2-CE1 3.73Å; Y231-F500 AromaticContact CE2-CD1 3.59Å; Y231-F500 HydrophobicContact CE2-CD1 3.59Å; Y231-F500 AromaticContact CE2-CE1 3.54Å; Y231-F500 HydrophobicContact CE2-CE1 3.54Å; Y231-F500 HydrophobicContact CG-CE1 4.33Å; Y231-F500 AromaticContact CZ-CE1 3.97Å; Y231-L504 HydrophobicContact CE1-CD2 3.87Å
232	T	91.1	Very high	86	Confident	68 Å²	68	64.8 Å²	64.8	42%	0.417	33%	0.33	S	S	.	.			trans	-120	-179.1	177.2	64.6	0	0	0	0	110	D221 R234 L235 A236	D221-T232 WeakPolarHBondContact CB-O 3.42Å; D221-T232 PolarHBondContact O-N 2.61Å; D221-T232 PolarHBondContact O-OG1 3.11Å; T232-R234 PolarHBondContact O-N 2.84Å; T232-L235 PolarHBondContact O-N 2.86Å; T232-A236 PolarHBondContact O-N 2.93Å
233	G	92.1	Very high	86.2	Confident	56 Å²	56	64 Å²	64	58%	0.577	33%	0.325	S	S	*	.	H	α-helix	trans	53.5	-132.5	170.7	0	0	0	0	0	114.2	E237	G233-E237 PolarHBondContact O-N 2.76Å
234	R	90.8	Very high	86.5	Confident	112 Å²	112	59.3 Å²	59.3	42%	0.423	31%	0.309	S	S	.	.	H	α-helix	trans	-80.1	-23.9	-175.6	-175.9	164.3	-170.6	139.4	1.6	111.9	L218 D221 T232 E237 L238 E515	L218-R234 HydrophobicContact CD2-CB 3.66Å; L218-R234 HydrophobicContact CD2-CG 3.95Å; D221-R234 PolarHBondContact OD2-N 2.98Å; T232-R234 PolarHBondContact O-N 2.84Å; R234-E237 PolarHBondContact O-N 2.85Å; R234-L238 WeakPolarHBondContact O-CG 3.33Å; R234-L238 PolarHBondContact O-N 2.74Å; R234-E515 IonicContact CZ-OE1 2.99Å; R234-E515 IonicContact NH2-OE1 3.29Å; R234-E515 PolarHBondContact NH2-OE1 2.91Å
235	L	90.3	Very high	86.8	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-39.4	173.8	-170.1	62.4	0	0	0	112.2	D221 I222 Y231 T232 E237 L238 E239 F500 L504	D221-L235 HydrophobicContact CB-CB 3.6Å; D221-L235 HydrophobicContact CB-CD2 4.4Å; D221-L235 PolarHBondContact OD2-N 2.9Å; I222-L235 HydrophobicContact CD1-CD2 3.77Å; I222-L235 HydrophobicContact CG1-CD2 3.34Å; Y231-L235 HydrophobicContact CD1-CD2 3.56Å; Y231-L235 HydrophobicContact CD1-CG 4.22Å; Y231-L235 HydrophobicContact CE1-CD2 4.2Å; Y231-L235 HydrophobicContact CG-CD2 4.16Å; Y231-L235 HydrophobicContact CG-CG 4.34Å; T232-L235 PolarHBondContact O-N 2.86Å; L235-E237 VanDerWaalsContact C-N 3.35Å; L235-L238 PolarHBondContact O-N 3.22Å; L235-E239 PolarHBondContact O-N 2.74Å; L235-F500 HydrophobicContact CD1-CZ 3.99Å; L235-F500 HydrophobicContact CG-CZ 4.4Å; L235-L504 HydrophobicContact CD1-CD1 3.71Å; L235-L504 HydrophobicContact CD2-CD1 4.06Å; L235-L504 HydrophobicContact CG-CD1 4.41Å
236	A	91.1	Very high	87.5	Confident	32 Å²	32	53.6 Å²	53.6	26%	0.264	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-41	173	0	0	0	0	0	112.2	T232 L238 E239 Y240	T232-A236 PolarHBondContact O-N 2.93Å; A236-L238 VanDerWaalsContact C-N 3.34Å; A236-E239 PolarHBondContact O-N 2.84Å; A236-Y240 WeakPolarHBondContact O-CB 3.47Å; A236-Y240 PolarHBondContact O-N 3.04Å
237	E	91	Very high	88.6	Confident	119 Å²	119	51.1 Å²	51.1	56%	0.556	26%	0.263	S	S	*	.	H	α-helix	trans	-62	-41.9	174.8	-173.1	-175.7	-175.4	0	0	111.6	G233 R234 L235 T241	G233-E237 PolarHBondContact O-N 2.76Å; R234-E237 PolarHBondContact O-N 2.85Å; L235-E237 VanDerWaalsContact C-N 3.35Å; E237-T241 WeakPolarHBondContact O-CB 3.41Å; E237-T241 PolarHBondContact O-N 3.19Å; E237-T241 PolarHBondContact O-OG1 3.38Å
238	L	89.4	Confident	89.4	Confident	20 Å²	20	50.1 Å²	50.1	11%	0.105	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-47	175.8	-76.7	171.4	0	0	0	111.9	L218 R234 L235 A236 Y240 T241 H242 M513	L218-L238 HydrophobicContact CD1-CD1 3.52Å; R234-L238 WeakPolarHBondContact O-CG 3.33Å; R234-L238 PolarHBondContact O-N 2.74Å; L235-L238 PolarHBondContact O-N 3.22Å; A236-L238 VanDerWaalsContact C-N 3.34Å; L238-Y240 PolarHBondContact O-N 3.34Å; L238-T241 PolarHBondContact O-N 3.29Å; L238-H242 VanDerWaalsContact O-CB 3.23Å; L238-H242 WeakPolarHBondContact O-CB 3.44Å; L238-H242 PolarHBondContact O-CD2 3.02Å; L238-H242 VanDerWaalsContact O-CG 3.29Å; L238-H242 PolarHBondContact O-N 3.38Å; L238-M513 HydrophobicContact CD2-CE 4.44Å
239	E	91.2	Very high	90	Very high	33 Å²	33	51 Å²	51	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-55.5	-52.7	176.3	-174.6	-177.1	-126.3	0	0	110.7	Y231 L235 A236 M243 K384 F500	Y231-E239 WeakPolarHBondContact CE2-OE1 3.24Å; L235-E239 PolarHBondContact O-N 2.74Å; A236-E239 PolarHBondContact O-N 2.84Å; E239-M243 WeakPolarHBondContact O-CB 3.29Å; E239-M243 PolarHBondContact O-N 3.44Å; E239-K384 HydrophobicContact CG-CB 4.48Å; E239-K384 HydrophobicContact CG-CG 4.23Å; E239-K384 VanDerWaalsContact OE1-CG 3.24Å; E239-K384 WeakPolarHBondContact OE1-CG 3.5Å; E239-F500 HydrophobicContact CB-CD1 3.97Å; E239-F500 HydrophobicContact CB-CD2 4.24Å; E239-F500 HydrophobicContact CB-CE1 3.61Å; E239-F500 HydrophobicContact CB-CE2 3.89Å; E239-F500 HydrophobicContact CB-CG 4.27Å; E239-F500 HydrophobicContact CB-CZ 3.56Å; E239-F500 HydrophobicContact CG-CB 4.39Å; E239-F500 HydrophobicContact CG-CD1 3.6Å; E239-F500 HydrophobicContact CG-CD2 4.11Å; E239-F500 HydrophobicContact CG-CE1 3.79Å; E239-F500 HydrophobicContact CG-CE2 4.28Å; E239-F500 HydrophobicContact CG-CG 3.77Å; E239-F500 HydrophobicContact CG-CZ 4.12Å; E239-F500 VanDerWaalsContact OE1-CD1 3.25Å; E239-F500 WeakPolarHBondContact OE1-CD1 3.42Å
240	Y	91.5	Very high	90.4	Very high	148 Å²	148	49 Å²	49	58%	0.58	25%	0.246	S	C	*	.	H	α-helix	trans	-61.4	-48.7	-178	179.8	-98.9	0	0	0	112	A236 L238 M243 N244	A236-Y240 WeakPolarHBondContact O-CB 3.47Å; A236-Y240 PolarHBondContact O-N 3.04Å; L238-Y240 PolarHBondContact O-N 3.34Å; Y240-M243 PolarHBondContact O-N 3.32Å; Y240-N244 WeakPolarHBondContact CE1-ND2 3.43Å; Y240-N244 PolarHBondContact O-N 3.38Å; Y240-N244 PolarHBondContact O-ND2 3.04Å; Y240-N244 PolarHBondContact OH-ND2 2.74Å
241	T	90.4	Very high	90.6	Very high	46 Å²	46	45.3 Å²	45.3	28%	0.282	23%	0.233	S	C	.	.	H	α-helix	trans	-65.3	-46.7	-176.9	-59.1	0	0	0	0	111.3	E237 L238 N244 K245	E237-T241 WeakPolarHBondContact O-CB 3.41Å; E237-T241 PolarHBondContact O-N 3.19Å; E237-T241 PolarHBondContact O-OG1 3.38Å; L238-T241 PolarHBondContact O-N 3.29Å; T241-N244 PolarHBondContact O-N 3.48Å; T241-K245 HydrophobicContact CG2-CD 4.28Å; T241-K245 WeakPolarHBondContact O-CG 3.5Å; T241-K245 PolarHBondContact O-N 3.21Å
242	H	91.2	Very high	90	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-45.1	179.7	-74.5	-143.3	0	0	0	110.7	L238 N244 K245 V246 Y416 W498 M513 Y516	L238-H242 VanDerWaalsContact O-CB 3.23Å; L238-H242 WeakPolarHBondContact O-CB 3.44Å; L238-H242 PolarHBondContact O-CD2 3.02Å; L238-H242 VanDerWaalsContact O-CG 3.29Å; L238-H242 PolarHBondContact O-N 3.38Å; H242-N244 VanDerWaalsContact C-N 3.31Å; H242-N244 PolarHBondContact O-N 2.7Å; H242-K245 PolarHBondContact O-N 3.4Å; H242-V246 WeakPolarHBondContact O-CB 3.42Å; H242-V246 VanDerWaalsContact O-CG2 3.23Å; H242-V246 WeakPolarHBondContact O-CG2 3.32Å; H242-V246 PolarHBondContact O-N 3.24Å; H242-Y416 AromaticContact ND1-CZ 3.67Å; H242-Y416 PolarHBondContact ND1-OH 2.73Å; H242-W498 HydrophobicContact CB-CH2 4.31Å; H242-W498 HydrophobicContact CB-CZ2 3.74Å; H242-M513 VanDerWaalsContact CE1-CE 3.47Å; H242-M513 WeakPolarHBondContact CE1-CE 3.25Å; H242-Y516 AromaticContact CE1-CD2 3.48Å; H242-Y516 VanDerWaalsContact CE1-CD2 3.48Å; H242-Y516 WeakPolarHBondContact CE1-CD2 3.01Å; H242-Y516 AromaticContact CE1-CE2 3.73Å; H242-Y516 AromaticContact NE2-CD2 3.47Å; H242-Y516 WeakPolarHBondContact NE2-CD2 3.32Å
243	M	91.3	Very high	88.8	Confident	19 Å²	19	45 Å²	45	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-40.5	178.5	-173.7	178	50.4	0	0	112	E239 Y240 N247 K350 K384 I386 W498	E239-M243 WeakPolarHBondContact O-CB 3.29Å; E239-M243 PolarHBondContact O-N 3.44Å; Y240-M243 PolarHBondContact O-N 3.32Å; M243-N247 WeakPolarHBondContact O-CB 3.1Å; M243-N247 PolarHBondContact O-N 3.48Å; M243-K350 HydrophobicContact CG-CD 4.16Å; M243-K350 HydrophobicContact CG-CG 4.08Å; M243-K350 HydrophobicContact SD-CD 4.39Å; M243-K350 HydrophobicContact SD-CG 4.01Å; M243-K384 HydrophobicContact CE-CD 4.36Å; M243-K384 HydrophobicContact CE-CG 4.48Å; M243-K384 HydrophobicContact SD-CB 3.83Å; M243-K384 HydrophobicContact SD-CD 3.92Å; M243-K384 HydrophobicContact SD-CG 4.01Å; M243-I386 HydrophobicContact CG-CD1 4.29Å; M243-I386 WeakPolarHBondContact O-CD1 3.37Å; M243-W498 HydrophobicContact CB-CH2 4.19Å; M243-W498 HydrophobicContact CB-CZ3 4.07Å; M243-W498 HydrophobicContact CG-CZ3 4.32Å
244	N	91.1	Very high	86.8	Confident	34 Å²	34	45.6 Å²	45.6	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-49.3	176	-71.2	-21	0	0	0	112.1	Y240 T241 H242 V246 N247 D248 K350	Y240-N244 WeakPolarHBondContact CE1-ND2 3.43Å; Y240-N244 PolarHBondContact O-N 3.38Å; Y240-N244 PolarHBondContact O-ND2 3.04Å; Y240-N244 PolarHBondContact OH-ND2 2.74Å; T241-N244 PolarHBondContact O-N 3.48Å; H242-N244 VanDerWaalsContact C-N 3.31Å; H242-N244 PolarHBondContact O-N 2.7Å; N244-V246 VanDerWaalsContact C-N 3.35Å; N244-V246 PolarHBondContact O-N 3.18Å; N244-N247 WeakPolarHBondContact O-CB 3.38Å; N244-N247 PolarHBondContact O-N 2.93Å; N244-N247 VanDerWaalsContact O-N 3.14Å; N244-D248 WeakPolarHBondContact O-CB 3.45Å; N244-D248 PolarHBondContact O-N 3.46Å; N244-K350 PolarHBondContact OD1-NZ 3.46Å
245	K	88.7	Confident	84.5	Confident	50 Å²	50	47.2 Å²	47.2	22%	0.217	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-43.8	-179.9	-72.7	-177.6	178.1	-175.9	0	112.8	T241 H242 N247 D248 Y249 M521	T241-K245 HydrophobicContact CG2-CD 4.28Å; T241-K245 WeakPolarHBondContact O-CG 3.5Å; T241-K245 PolarHBondContact O-N 3.21Å; H242-K245 PolarHBondContact O-N 3.4Å; K245-N247 VanDerWaalsContact C-N 3.33Å; K245-D248 PolarHBondContact O-N 2.98Å; K245-Y249 WeakPolarHBondContact O-CB 3.48Å; K245-Y249 PolarHBondContact O-N 3.31Å; K245-M521 HydrophobicContact CB-CE 4.21Å
246	V	92.1	Very high	82.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-41	177.7	176.9	0	0	0	0	110.6	H242 N244 D248 Y249 W250 I386 F412 Y416 W498	H242-V246 WeakPolarHBondContact O-CB 3.42Å; H242-V246 VanDerWaalsContact O-CG2 3.23Å; H242-V246 WeakPolarHBondContact O-CG2 3.32Å; H242-V246 PolarHBondContact O-N 3.24Å; N244-V246 VanDerWaalsContact C-N 3.35Å; N244-V246 PolarHBondContact O-N 3.18Å; V246-D248 VanDerWaalsContact C-N 3.34Å; V246-Y249 WeakPolarHBondContact O-CB 3.34Å; V246-Y249 PolarHBondContact O-N 2.76Å; V246-W250 PolarHBondContact O-N 3Å; V246-I386 HydrophobicContact CB-CD1 3.65Å; V246-I386 HydrophobicContact CG1-CD1 3.53Å; V246-F412 HydrophobicContact CB-CE2 4.32Å; V246-F412 HydrophobicContact CB-CZ 4.19Å; V246-F412 HydrophobicContact CG1-CE1 4.39Å; V246-F412 HydrophobicContact CG1-CE2 3.84Å; V246-F412 HydrophobicContact CG1-CZ 3.53Å; V246-F412 HydrophobicContact CG2-CE2 3.93Å; V246-F412 HydrophobicContact CG2-CZ 3.65Å; V246-Y416 HydrophobicContact CG2-CD2 3.72Å; V246-Y416 HydrophobicContact CG2-CE2 3.61Å; V246-W498 HydrophobicContact CG1-CB 3.83Å; V246-W498 HydrophobicContact CG1-CG 4.19Å; V246-W498 HydrophobicContact CG2-CG 4.22Å
247	N	91.7	Very high	80.7	Confident	22 Å²	22	56 Å²	56	12%	0.118	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-45	175.8	176.9	82.1	0	0	0	111.3	M243 N244 K245 Y249 W250 L251 K350 I386	M243-N247 WeakPolarHBondContact O-CB 3.1Å; M243-N247 PolarHBondContact O-N 3.48Å; N244-N247 WeakPolarHBondContact O-CB 3.38Å; N244-N247 PolarHBondContact O-N 2.93Å; N244-N247 VanDerWaalsContact O-N 3.14Å; K245-N247 VanDerWaalsContact C-N 3.33Å; N247-Y249 PolarHBondContact O-N 2.82Å; N247-W250 PolarHBondContact O-N 3.14Å; N247-L251 WeakPolarHBondContact ND2-CD1 3.39Å; N247-L251 WeakPolarHBondContact O-CG 3.31Å; N247-L251 PolarHBondContact O-N 3.17Å; N247-K350 HydrophobicContact CB-CD 3.94Å; N247-I386 HydrophobicContact CB-CD1 3.85Å
248	D	89.3	Confident	78.9	Confident	91 Å²	91	54.1 Å²	54.1	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-39.1	-180	-63.2	-15.7	0	0	0	111	N244 K245 V246 W250 L251 S252	N244-D248 WeakPolarHBondContact O-CB 3.45Å; N244-D248 PolarHBondContact O-N 3.46Å; K245-D248 PolarHBondContact O-N 2.98Å; V246-D248 VanDerWaalsContact C-N 3.34Å; D248-W250 VanDerWaalsContact C-N 3.35Å; D248-W250 PolarHBondContact O-N 2.9Å; D248-L251 PolarHBondContact O-N 3.3Å; D248-S252 WeakPolarHBondContact O-CB 3.43Å; D248-S252 PolarHBondContact O-N 3.25Å; D248-S252 PolarHBondContact O-OG 3.22Å
249	Y	89.6	Confident	77.3	Confident	31 Å²	31	55.3 Å²	55.3	12%	0.122	30%	0.296	C	S	.	.	H	α-helix	trans	-55.4	-47.3	172.2	-179.7	-85.7	0	0	0	112.4	K245 V246 N247 L251 S252 R253 F412 H415 M521	K245-Y249 WeakPolarHBondContact O-CB 3.48Å; K245-Y249 PolarHBondContact O-N 3.31Å; V246-Y249 WeakPolarHBondContact O-CB 3.34Å; V246-Y249 PolarHBondContact O-N 2.76Å; N247-Y249 PolarHBondContact O-N 2.82Å; Y249-L251 VanDerWaalsContact C-N 3.34Å; Y249-S252 PolarHBondContact O-OG 3.32Å; Y249-R253 PolarHBondContact OH-NH2 2.6Å; Y249-F412 HydrophobicContact CD1-CB 4.37Å; Y249-F412 AromaticContact CD1-CD2 3.53Å; Y249-F412 HydrophobicContact CD1-CD2 3.53Å; Y249-F412 HydrophobicContact CD1-CE2 4.3Å; Y249-F412 HydrophobicContact CD1-CG 4.28Å; Y249-F412 HydrophobicContact CD2-CD2 4.36Å; Y249-F412 HydrophobicContact CE1-CB 3.67Å; Y249-F412 AromaticContact CE1-CD2 3.68Å; Y249-F412 HydrophobicContact CE1-CD2 3.68Å; Y249-F412 HydrophobicContact CE1-CG 4.07Å; Y249-F412 HydrophobicContact CE2-CD2 4.46Å; Y249-F412 AromaticContact CG-CD2 3.91Å; Y249-F412 HydrophobicContact CG-CD2 3.91Å; Y249-F412 HydrophobicContact CG-CE2 4.41Å; Y249-H415 AromaticContact CD2-CD2 3.9Å; Y249-H415 AromaticContact CE2-CD2 3.7Å; Y249-M521 HydrophobicContact CD2-SD 3.95Å
250	W	90.6	Very high	76.3	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-74.1	-24.7	-179.1	-72.3	109.8	0	0	0	112.7	V246 N247 D248 N261 V348 L388 E408 L409 F412 M495 A497	V246-W250 PolarHBondContact O-N 3Å; N247-W250 PolarHBondContact O-N 3.14Å; D248-W250 VanDerWaalsContact C-N 3.35Å; D248-W250 PolarHBondContact O-N 2.9Å; W250-N261 WeakPolarHBondContact O-CB 3.34Å; W250-N261 PolarHBondContact O-ND2 3.09Å; W250-V348 HydrophobicContact CB-CG1 4.45Å; W250-L388 HydrophobicContact CD2-CD1 4.31Å; W250-L388 HydrophobicContact CD2-CD2 4.15Å; W250-L388 HydrophobicContact CE3-CD2 3.76Å; W250-L388 HydrophobicContact CG-CD1 4.41Å; W250-L388 HydrophobicContact CZ3-CD2 4.31Å; W250-E408 HydrophobicContact CH2-CB 4.08Å; W250-E408 HydrophobicContact CZ3-CB 4.19Å; W250-L409 HydrophobicContact CZ2-CD1 4.49Å; W250-F412 HydrophobicContact CH2-CB 4.36Å; W250-F412 HydrophobicContact CZ2-CB 3.83Å; W250-F412 HydrophobicContact CZ2-CD1 4.1Å; W250-F412 AromaticContact CZ2-CG 3.89Å; W250-F412 HydrophobicContact CZ2-CG 3.89Å; W250-M495 HydrophobicContact CD2-CE 4.33Å; W250-M495 HydrophobicContact CE3-CE 4.07Å; W250-M495 HydrophobicContact CH2-CE 3.32Å; W250-M495 HydrophobicContact CH2-SD 4.09Å; W250-M495 HydrophobicContact CZ2-CE 3.62Å; W250-M495 HydrophobicContact CZ2-SD 4.33Å; W250-M495 HydrophobicContact CZ3-CE 3.57Å; W250-A497 HydrophobicContact CZ2-CB 4Å
251	L	88	Confident	76.1	Confident	29 Å²	29	48.7 Å²	48.7	15%	0.152	28%	0.275	C	S	.	.	H	α-helix	trans	-89.1	-32.8	176.7	-65.5	-179.5	0	0	0	113.4	N247 D248 Y249 R253 M254 P263 V348	N247-L251 WeakPolarHBondContact ND2-CD1 3.39Å; N247-L251 WeakPolarHBondContact O-CG 3.31Å; N247-L251 PolarHBondContact O-N 3.17Å; D248-L251 PolarHBondContact O-N 3.3Å; Y249-L251 VanDerWaalsContact C-N 3.34Å; L251-R253 VanDerWaalsContact C-N 3.26Å; L251-R253 PolarHBondContact O-N 3.08Å; L251-M254 VanDerWaalsContact O-CB 3.24Å; L251-M254 WeakPolarHBondContact O-CB 3.35Å; L251-M254 VanDerWaalsContact O-CG 3.23Å; L251-M254 WeakPolarHBondContact O-CG 3.29Å; L251-M254 PolarHBondContact O-N 2.65Å; L251-P263 HydrophobicContact CD1-CB 4.23Å; L251-P263 HydrophobicContact CD2-CB 3.93Å; L251-P263 HydrophobicContact CD2-CG 4.26Å; L251-V348 HydrophobicContact CD2-CB 4.11Å; L251-V348 HydrophobicContact CD2-CG1 4.42Å; L251-V348 HydrophobicContact CD2-CG2 4.13Å
252	S	78.9	Confident	76	Confident	64 Å²	64	49.7 Å²	49.7	45%	0.448	27%	0.274	S	S	.	.	H	α-helix	trans	-69.7	-23.7	-175.2	66.5	0	0	0	0	113.1	D248 Y249 M254 N255	D248-S252 WeakPolarHBondContact O-CB 3.43Å; D248-S252 PolarHBondContact O-N 3.25Å; D248-S252 PolarHBondContact O-OG 3.22Å; Y249-S252 PolarHBondContact O-OG 3.32Å; S252-M254 PolarHBondContact O-N 3.32Å; S252-N255 WeakPolarHBondContact O-CB 3.35Å; S252-N255 PolarHBondContact O-N 3.13Å
253	R	65.7	Low	76	Confident	34 Å²	34	53.3 Å²	53.3	13%	0.128	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-53.9	-15.2	167.1	-76.4	-87.6	-176.3	121.1	8.5	113.5	Y249 L251 N255 E408	Y249-R253 PolarHBondContact OH-NH2 2.6Å; L251-R253 VanDerWaalsContact C-N 3.26Å; L251-R253 PolarHBondContact O-N 3.08Å; R253-N255 PolarHBondContact O-N 3.33Å; R253-E408 IonicContact NH1-OE1 3.64Å; R253-E408 PolarHBondContact NH1-OE1 3.43Å
254	M	50.1	Low	76.2	Confident	67 Å²	67	53.4 Å²	53.4	33%	0.33	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-59.1	-25.6	168.3	-75.7	-154.1	-81.8	0	0	113.9	L251 S252 C260 N261	L251-M254 VanDerWaalsContact O-CB 3.24Å; L251-M254 WeakPolarHBondContact O-CB 3.35Å; L251-M254 VanDerWaalsContact O-CG 3.23Å; L251-M254 WeakPolarHBondContact O-CG 3.29Å; L251-M254 PolarHBondContact O-N 2.65Å; S252-M254 PolarHBondContact O-N 3.32Å; M254-C260 HydrophobicContact CG-CB 3.86Å; M254-C260 HydrophobicContact SD-CB 3.83Å; M254-N261 WeakPolarHBondContact CG-O 3.27Å
255	N	42.6	Very low	76.3	Confident	147 Å²	147	58.4 Å²	58.4	79%	0.786	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-90.8	-9.4	-172.4	-67.4	-22.6	0	0	0	114.1	S252 R253 G257	S252-N255 WeakPolarHBondContact O-CB 3.35Å; S252-N255 PolarHBondContact O-N 3.13Å; R253-N255 PolarHBondContact O-N 3.33Å; N255-G257 PolarHBondContact O-N 3.45Å
256	E	53.8	Low	76.7	Confident	141 Å²	141	57 Å²	57	66%	0.659	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	14	-175.2	-64.2	-175.6	168.6	0	0	114	Q258	E256-Q258 PolarHBondContact O-N 3.11Å
257	G	47.2	Very low	76.9	Confident	78 Å²	78	60.4 Å²	60.4	80%	0.804	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	6	-179.1	0	0	0	0	0	114.5	N255	N255-G257 PolarHBondContact O-N 3.45Å
258	Q	52.7	Low	77.1	Confident	78 Å²	78	61.9 Å²	61.9	36%	0.364	36%	0.361	S	S	.	.	S	Bend	trans	-81	153.5	167.3	-69.8	-164.6	-26.6	0	0	110.7	E256 C260	E256-Q258 PolarHBondContact O-N 3.11Å; Q258-C260 PolarHBondContact O-N 3.06Å
259	P	55.8	Low	77.4	Confident	46 Å²	46	61 Å²	61	30%	0.299	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-57.2	131.7	-178	-17.9	27	0	0	0	111.4	Y344	P259-Y344 HydrophobicContact CB-CE1 3.85Å; P259-Y344 HydrophobicContact CB-CE2 3.75Å; P259-Y344 WeakPolarHBondContact CB-OH 3.38Å; P259-Y344 VanDerWaalsContact CD-OH 3.23Å; P259-Y344 WeakPolarHBondContact CD-OH 3.23Å; P259-Y344 HydrophobicContact CG-CE1 3.56Å; P259-Y344 HydrophobicContact CG-CE2 4.33Å; P259-Y344 VanDerWaalsContact CG-CZ 3.47Å; P259-Y344 WeakPolarHBondContact CG-OH 3.47Å
260	C	70.5	Confident	77.6	Confident	40 Å²	40	59.7 Å²	59.7	27%	0.27	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-65	135	-164.4	-58.8	0	0	0	0	113.8	M254 Q258 Y262	M254-C260 HydrophobicContact CG-CB 3.86Å; M254-C260 HydrophobicContact SD-CB 3.83Å; Q258-C260 PolarHBondContact O-N 3.06Å; C260-Y262 HydrophobicContact CB-CE1 4.18Å; C260-Y262 HydrophobicContact CB-CE2 3.92Å; C260-Y262 VanDerWaalsContact O-CD2 3.23Å; C260-Y262 WeakPolarHBondContact O-CD2 3.43Å; C260-Y262 WeakPolarHBondContact O-CE2 3.47Å
261	N	86.3	Confident	77.7	Confident	2 Å²	2	64 Å²	64	1%	0.011	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.8	166.1	-67.5	-14.3	0	0	0	109.4	W250 M254 R346 V348	W250-N261 WeakPolarHBondContact O-CB 3.34Å; W250-N261 PolarHBondContact O-ND2 3.09Å; M254-N261 WeakPolarHBondContact CG-O 3.27Å; N261-R346 VanDerWaalsContact OD1-CD 3.24Å; N261-R346 WeakPolarHBondContact OD1-CD 3.23Å; N261-V348 HydrophobicContact CB-CG2 3.73Å
262	Y	88.2	Confident	77.9	Confident	66 Å²	66	62.6 Å²	62.6	26%	0.259	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.3	-174.1	-64.4	-84.3	0	0	0	111.8	C260 L345 R346 L347 V348	C260-Y262 HydrophobicContact CB-CE1 4.18Å; C260-Y262 HydrophobicContact CB-CE2 3.92Å; C260-Y262 VanDerWaalsContact O-CD2 3.23Å; C260-Y262 WeakPolarHBondContact O-CD2 3.43Å; C260-Y262 WeakPolarHBondContact O-CE2 3.47Å; Y262-L345 HydrophobicContact CD2-CD1 3.46Å; Y262-L345 VanDerWaalsContact CD2-CD1 3.46Å; Y262-L345 HydrophobicContact CE2-CD1 3.69Å; Y262-L345 HydrophobicContact CG-CD1 4.36Å; Y262-R346 PolarHBondContact N-O 2.75Å; Y262-L347 CarbonylContact O-C 3.57Å; Y262-L347 WeakPolarHBondContact O-CA 3.34Å; Y262-V348 PolarHBondContact O-N 2.87Å
263	P	92.7	Very high	78.6	Confident	80 Å²	80	59.8 Å²	59.8	52%	0.519	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.7	174.7	28.5	-32.3	0	0	0	110.6	L251 V348	L251-P263 HydrophobicContact CD1-CB 4.23Å; L251-P263 HydrophobicContact CD2-CB 3.93Å; L251-P263 HydrophobicContact CD2-CG 4.26Å; P263-V348 CarbonylContact C-O 3.5Å; P263-V348 WeakPolarHBondContact CA-O 3.43Å
264	V	94.4	Very high	80	Confident	20 Å²	20	58.2 Å²	58.2	12%	0.121	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.9	173.5	-66.7	0	0	0	0	110.8	L266 F328 L347 V348	V264-L266 HydrophobicContact CB-CD2 4Å; V264-L266 HydrophobicContact CB-CG 4.43Å; V264-L266 HydrophobicContact CG2-CD1 4.22Å; V264-L266 HydrophobicContact CG2-CD2 3.91Å; V264-L266 HydrophobicContact CG2-CG 3.94Å; V264-F328 HydrophobicContact CG2-CE1 3.9Å; V264-F328 HydrophobicContact CG2-CZ 4.45Å; V264-L347 HydrophobicContact CG1-CB 4.2Å; V264-L347 HydrophobicContact CG1-CD1 4.45Å; V264-L347 HydrophobicContact CG1-CD2 3.91Å; V264-L347 HydrophobicContact CG1-CG 4.41Å; V264-L347 HydrophobicContact CG2-CB 4.14Å; V264-V348 WeakPolarHBondContact CG2-O 3.49Å; V264-V348 PolarHBondContact N-O 3.26Å
265	C	94.5	Very high	82.1	Confident	139 Å²	139	55 Å²	55	94%	0.939	32%	0.319	S	S	*	.			trans	-104.4	105.5	171.4	-62.1	0	0	0	0	108.4
266	L	96.5	Very high	84.6	Confident	22 Å²	22	49.1 Å²	49.1	12%	0.115	29%	0.287	C	S	.	.			trans	-98.8	162.5	-178.5	-50.7	-176.4	0	0	0	110.9	V264 S322 A327 F328 Y331	V264-L266 HydrophobicContact CB-CD2 4Å; V264-L266 HydrophobicContact CB-CG 4.43Å; V264-L266 HydrophobicContact CG2-CD1 4.22Å; V264-L266 HydrophobicContact CG2-CD2 3.91Å; V264-L266 HydrophobicContact CG2-CG 3.94Å; L266-S322 WeakPolarHBondContact CB-O 3.26Å; L266-S322 WeakPolarHBondContact CD1-O 3.26Å; L266-S322 WeakPolarHBondContact O-CB 3.47Å; L266-A327 HydrophobicContact CB-CB 3.97Å; L266-A327 HydrophobicContact CD1-CB 4.03Å; L266-F328 HydrophobicContact CD1-CB 4.38Å; L266-F328 HydrophobicContact CD1-CD1 3.65Å; L266-F328 HydrophobicContact CD1-CD2 3.98Å; L266-F328 HydrophobicContact CD1-CE1 3.82Å; L266-F328 HydrophobicContact CD1-CE2 4.14Å; L266-F328 HydrophobicContact CD1-CG 3.74Å; L266-F328 HydrophobicContact CD1-CZ 4.07Å; L266-Y331 HydrophobicContact CD2-CD1 4.43Å; L266-Y331 HydrophobicContact CD2-CD2 3.94Å; L266-Y331 HydrophobicContact CD2-CG 3.8Å
267	S	96	Very high	86.5	Confident	70 Å²	70	42.4 Å²	42.4	49%	0.49	26%	0.255	S	S	.	.			trans	-78.4	142.5	175.8	178.5	0	0	0	0	110.8	I269	S267-I269 WeakPolarHBondContact CB-O 3.11Å; S267-I269 PolarHBondContact O-N 2.9Å; S267-I269 PolarHBondContact OG-N 3.19Å; S267-I269 PolarHBondContact OG-O 2.56Å
268	D	95.6	Very high	88.8	Confident	53 Å²	53	38.7 Å²	38.7	28%	0.283	22%	0.217	S	C	.	.	S	Bend	trans	-72	-17.8	168.2	-66.1	-45.9	0	0	0	112.4	L319 V320 G321 S322 Y354	D268-L319 HydrophobicContact CB-CD1 4.12Å; D268-V320 PolarHBondContact O-N 2.61Å; D268-G321 PolarHBondContact O-N 2.86Å; D268-G321 WeakPolarHBondContact OD1-CA 3.15Å; D268-S322 VanDerWaalsContact OD1-CB 3.23Å; D268-S322 WeakPolarHBondContact OD1-CB 3.36Å; D268-S322 PolarHBondContact OD1-N 3.08Å; D268-S322 PolarHBondContact OD1-OG 3.3Å; D268-Y354 HydrophobicContact CB-CE2 4.01Å
269	I	95.7	Very high	90.6	Very high	72 Å²	72	36.8 Å²	36.8	37%	0.369	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.5	-177.5	-55.8	171.6	0	0	0	109.7	S267 L289 D317 Y318 L319	S267-I269 WeakPolarHBondContact CB-O 3.11Å; S267-I269 PolarHBondContact O-N 2.9Å; S267-I269 PolarHBondContact OG-N 3.19Å; S267-I269 PolarHBondContact OG-O 2.56Å; I269-L289 HydrophobicContact CD1-CD1 3.74Å; I269-L289 HydrophobicContact CG1-CD1 3.97Å; I269-L289 HydrophobicContact CG2-CD1 3.83Å; I269-D317 HydrophobicContact CG2-CB 3.84Å; I269-Y318 CarbonylContact C-O 3.41Å; I269-Y318 VanDerWaalsContact CA-O 3.29Å; I269-Y318 WeakPolarHBondContact CA-O 3.33Å; I269-L319 HydrophobicContact CG1-CD1 4.38Å
270	V	94.2	Very high	92	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156	176.6	-58.7	0	0	0	0	111.3	A274 L275 Y318 V320 A326 A327 A330	V270-A274 HydrophobicContact CB-CB 4.43Å; V270-L275 HydrophobicContact CG2-CB 4.09Å; V270-Y318 PolarHBondContact N-O 2.72Å; V270-Y318 PolarHBondContact O-N 3.26Å; V270-V320 HydrophobicContact CB-CG2 4.17Å; V270-V320 HydrophobicContact CG1-CG2 3.57Å; V270-V320 HydrophobicContact CG2-CB 4.3Å; V270-V320 HydrophobicContact CG2-CG1 3.66Å; V270-V320 HydrophobicContact CG2-CG2 3.59Å; V270-A326 HydrophobicContact CG2-CB 4.32Å; V270-A327 HydrophobicContact CG1-CB 4.46Å; V270-A330 HydrophobicContact CB-CB 4.09Å; V270-A330 HydrophobicContact CG1-CB 3.63Å
271	R	92.5	Very high	92.6	Very high	91 Å²	91	36.7 Å²	36.7	34%	0.343	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	152.2	171.4	-62.2	-75.5	177.2	-159.3	-30.3	110.2	P273 A274 L275 D295 T315 A316 D317	R271-P273 VanDerWaalsContact C-N 3.33Å; R271-P273 VanDerWaalsContact O-N 3.15Å; R271-A274 PolarHBondContact O-N 2.72Å; R271-A274 VanDerWaalsContact O-N 3.09Å; R271-L275 PolarHBondContact O-N 3.43Å; R271-D295 IonicContact NH1-OD1 2.76Å; R271-T315 VanDerWaalsContact CD-O 3.23Å; R271-T315 WeakPolarHBondContact CD-O 3.31Å; R271-T315 PolarHBondContact NH1-O 2.56Å; R271-A316 CarbonylContact C-O 3.07Å; R271-A316 WeakPolarHBondContact CA-O 3.26Å; R271-D317 WeakPolarHBondContact CD-OD1 3.35Å; R271-D317 IonicContact CZ-OD1 3.48Å; R271-D317 IonicContact CZ-OD2 3.6Å; R271-D317 IonicContact NE-OD1 2.69Å; R271-D317 PolarHBondContact NE-OD1 3.49Å; R271-D317 VanDerWaalsContact NE-OD1 3.09Å; R271-D317 IonicContact NH1-OD1 2.94Å; R271-D317 PolarHBondContact NH1-OD1 3.41Å; R271-D317 IonicContact NH1-OD2 2.7Å; R271-D317 PolarHBondContact NH1-OD2 2.76Å; R271-D317 IonicContact NH2-OD1 3.6Å; R271-D317 PolarHBondContact NH2-OD1 2.57Å; R271-D317 VanDerWaalsContact NH2-OD1 3.11Å; R271-D317 IonicContact NH2-OD2 2.82Å; R271-D317 PolarHBondContact NH2-OD2 2.86Å
272	G	92.1	Very high	92.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-40.3	-49.3	178.8	0	0	0	0	0	115.8	T70 A274 L275 E276 A316	T70-G272 VanDerWaalsContact OG1-C 3.23Å; T70-G272 PolarHBondContact OG1-O 2.94Å; G272-A274 VanDerWaalsContact C-N 3.31Å; G272-A274 PolarHBondContact O-N 2.83Å; G272-L275 WeakPolarHBondContact O-CB 3.32Å; G272-L275 PolarHBondContact O-N 2.93Å; G272-E276 PolarHBondContact O-N 3.35Å; G272-A316 PolarHBondContact N-O 3.46Å
273	P	93.6	Very high	92.4	Very high	4 Å²	4	38 Å²	38	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-36.1	-176.1	-19.8	29.4	0	0	0	114	T70 L71 L82 R271 A277 H314 M333	T70-P273 VanDerWaalsContact OG1-CA 3.25Å; T70-P273 WeakPolarHBondContact OG1-CA 3.44Å; L71-P273 HydrophobicContact CD2-CB 4.37Å; L82-P273 HydrophobicContact CD1-CB 3.48Å; L82-P273 VanDerWaalsContact CD1-CB 3.48Å; L82-P273 HydrophobicContact CG-CB 4.33Å; R271-P273 VanDerWaalsContact C-N 3.33Å; R271-P273 VanDerWaalsContact O-N 3.15Å; P273-A277 WeakPolarHBondContact O-CB 3.41Å; P273-A277 PolarHBondContact O-N 3.19Å; P273-A277 VanDerWaalsContact O-N 3.17Å; P273-H314 WeakPolarHBondContact CD-O 3.47Å; P273-H314 HydrophobicContact CG-CB 4.24Å; P273-M333 HydrophobicContact CB-SD 4.38Å
274	A	94.5	Very high	91.9	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-69.7	-36.1	176.8	0	0	0	0	0	112.2	V270 R271 G272 T278 S329 A330 M333	V270-A274 HydrophobicContact CB-CB 4.43Å; R271-A274 PolarHBondContact O-N 2.72Å; R271-A274 VanDerWaalsContact O-N 3.09Å; G272-A274 VanDerWaalsContact C-N 3.31Å; G272-A274 PolarHBondContact O-N 2.83Å; A274-T278 WeakPolarHBondContact O-CG2 3.47Å; A274-S329 PolarHBondContact O-OG 3.34Å; A274-A330 HydrophobicContact CB-CB 3.59Å; A274-M333 HydrophobicContact CB-SD 4.48Å
275	L	94.7	Very high	91.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-54.3	177.7	171.4	62.5	0	0	0	111.2	V270 R271 G272 A277 T278 S279 P281 M283 A286 Y318 V320 A326	V270-L275 HydrophobicContact CG2-CB 4.09Å; R271-L275 PolarHBondContact O-N 3.43Å; G272-L275 WeakPolarHBondContact O-CB 3.32Å; G272-L275 PolarHBondContact O-N 2.93Å; L275-A277 PolarHBondContact O-N 2.63Å; L275-T278 PolarHBondContact O-N 3.39Å; L275-T278 PolarHBondContact O-OG1 2.6Å; L275-S279 PolarHBondContact O-N 3.41Å; L275-P281 HydrophobicContact CD1-CG 4.09Å; L275-M283 HydrophobicContact CB-SD 4.1Å; L275-M283 HydrophobicContact CD2-SD 3.43Å; L275-M283 WeakPolarHBondContact CD2-SD 3.5Å; L275-M283 HydrophobicContact CG-SD 3.61Å; L275-A286 HydrophobicContact CD1-CB 4.38Å; L275-A286 HydrophobicContact CD2-CB 3.37Å; L275-A286 HydrophobicContact CG-CB 4.44Å; L275-Y318 HydrophobicContact CD2-CD1 3.5Å; L275-Y318 HydrophobicContact CD2-CD2 3.92Å; L275-Y318 HydrophobicContact CD2-CE1 4.03Å; L275-Y318 HydrophobicContact CD2-CE2 4.42Å; L275-Y318 HydrophobicContact CD2-CG 3.43Å; L275-Y318 VanDerWaalsContact CD2-CG 3.43Å; L275-V320 HydrophobicContact CD1-CG1 3.96Å; L275-A326 HydrophobicContact CD1-CB 4.07Å
276	E	94.4	Very high	91.1	Very high	23 Å²	23	37.1 Å²	37.1	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-36.7	-178.2	-169.1	173.4	162.4	0	0	111.7	S69 T70 L71 G272 T278 S279 M283	S69-E276 WeakPolarHBondContact CB-OE1 3.45Å; S69-E276 VanDerWaalsContact OG-CD 3.28Å; S69-E276 PolarHBondContact OG-OE1 2.91Å; S69-E276 PolarHBondContact OG-OE2 2.79Å; T70-E276 WeakPolarHBondContact CA-OE2 3.45Å; T70-E276 VanDerWaalsContact CB-OE2 3.24Å; T70-E276 WeakPolarHBondContact CB-OE2 3.15Å; T70-E276 WeakPolarHBondContact CG2-OE2 3.11Å; T70-E276 PolarHBondContact N-OE2 3.11Å; T70-E276 WeakPolarHBondContact OG1-CB 3.35Å; T70-E276 PolarHBondContact OG1-OE2 2.87Å; L71-E276 HydrophobicContact CD1-CB 4.19Å; L71-E276 HydrophobicContact CD1-CG 3.83Å; L71-E276 HydrophobicContact CG-CB 4.07Å; L71-E276 HydrophobicContact CG-CG 3.97Å; G272-E276 PolarHBondContact O-N 3.35Å; E276-T278 PolarHBondContact O-N 3.09Å; E276-T278 VanDerWaalsContact O-N 3.14Å; E276-S279 PolarHBondContact O-N 2.96Å; E276-S279 VanDerWaalsContact O-N 3.08Å; E276-S279 PolarHBondContact O-OG 3.03Å; E276-M283 HydrophobicContact CB-CG 3.87Å; E276-M283 HydrophobicContact CB-SD 3.92Å; E276-M283 HydrophobicContact CG-CG 3.98Å
277	A	94.8	Very high	90.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.8	176.6	0	0	0	0	0	114.7	L71 P273 L275 W467 R471 I472	L71-A277 HydrophobicContact CD2-CB 4.25Å; P273-A277 WeakPolarHBondContact O-CB 3.41Å; P273-A277 PolarHBondContact O-N 3.19Å; P273-A277 VanDerWaalsContact O-N 3.17Å; L275-A277 PolarHBondContact O-N 2.63Å; A277-W467 WeakPolarHBondContact O-CZ3 3.15Å; A277-R471 HydrophobicContact CB-CB 3.65Å; A277-I472 HydrophobicContact CB-CG2 3.3Å
278	T	94.9	Very high	90.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-25.5	174.9	67	0	0	0	0	112.9	A274 L275 E276 W280 L325 A326 C435 I468	A274-T278 WeakPolarHBondContact O-CG2 3.47Å; L275-T278 PolarHBondContact O-N 3.39Å; L275-T278 PolarHBondContact O-OG1 2.6Å; E276-T278 PolarHBondContact O-N 3.09Å; E276-T278 VanDerWaalsContact O-N 3.14Å; T278-W280 PolarHBondContact O-N 2.93Å; T278-W280 PolarHBondContact OG1-N 3.39Å; T278-W280 PolarHBondContact OG1-O 2.78Å; T278-L325 HydrophobicContact CG2-CG 3.96Å; T278-A326 HydrophobicContact CG2-CB 4.44Å; T278-C435 WeakPolarHBondContact O-CB 3.5Å; T278-C435 PolarHBondContact O-SG 3.36Å; T278-I468 HydrophobicContact CG2-CD1 4.1Å; T278-I468 HydrophobicContact CG2-CG2 4.31Å
279	S	90	Very high	90	Very high	38 Å²	38	37.6 Å²	37.6	27%	0.266	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	21.1	-170.5	-65	0	0	0	0	114.3	L275 E276 P281 W467	L275-S279 PolarHBondContact O-N 3.41Å; E276-S279 PolarHBondContact O-N 2.96Å; E276-S279 VanDerWaalsContact O-N 3.08Å; E276-S279 PolarHBondContact O-OG 3.03Å; S279-P281 CarbonylContact C-O 3.53Å; S279-W467 WeakPolarHBondContact OG-CH2 3.48Å
280	W	84.9	Confident	89.5	Confident	46 Å²	46	40.9 Å²	40.9	17%	0.174	20%	0.196	C	C	.	.	S	Bend	trans	-143.9	101.9	-179.5	-176.4	20.7	0	0	0	111	T278 L325 Y433 F494	T278-W280 PolarHBondContact O-N 2.93Å; T278-W280 PolarHBondContact OG1-N 3.39Å; T278-W280 PolarHBondContact OG1-O 2.78Å; W280-L325 HydrophobicContact CE3-CD2 3.75Å; W280-L325 HydrophobicContact CZ3-CD2 4.33Å; W280-Y433 HydrophobicContact CB-CG 4.49Å; W280-Y433 AromaticContact CD1-CE1 3.72Å; W280-Y433 AromaticContact CD1-CE2 3.97Å; W280-Y433 AromaticContact CD1-CZ 3.67Å; W280-Y433 AromaticContact CD2-CD2 3.77Å; W280-Y433 HydrophobicContact CD2-CD2 3.77Å; W280-Y433 AromaticContact CD2-CE2 3.77Å; W280-Y433 HydrophobicContact CD2-CE2 3.77Å; W280-Y433 HydrophobicContact CD2-CG 4.23Å; W280-Y433 AromaticContact CE2-CD2 3.85Å; W280-Y433 AromaticContact CE2-CE2 3.33Å; W280-Y433 AromaticContact CE2-CZ 3.73Å; W280-Y433 HydrophobicContact CE3-CD2 4.04Å; W280-Y433 HydrophobicContact CE3-CE2 4.34Å; W280-Y433 HydrophobicContact CG-CD1 4.19Å; W280-Y433 HydrophobicContact CG-CD2 4.13Å; W280-Y433 HydrophobicContact CG-CE1 4.27Å; W280-Y433 HydrophobicContact CG-CE2 4.18Å; W280-Y433 HydrophobicContact CG-CG 4.14Å; W280-Y433 HydrophobicContact CH2-CD2 4.46Å; W280-Y433 HydrophobicContact CH2-CE2 4.19Å; W280-Y433 HydrophobicContact CZ2-CD2 4.22Å; W280-Y433 AromaticContact CZ2-CE2 3.59Å; W280-Y433 HydrophobicContact CZ2-CE2 3.59Å; W280-Y433 HydrophobicContact CZ3-CD2 4.37Å; W280-Y433 AromaticContact NE1-CE1 3.87Å; W280-Y433 AromaticContact NE1-CE2 3.47Å; W280-Y433 AromaticContact NE1-CZ 3.31Å; W280-Y433 VanDerWaalsContact NE1-CZ 3.31Å; W280-Y433 PolarHBondContact NE1-OH 2.77Å; W280-F494 HydrophobicContact CH2-CD1 4.19Å; W280-F494 AromaticContact CH2-CE1 3.89Å; W280-F494 HydrophobicContact CH2-CE1 3.89Å; W280-F494 AromaticContact CZ3-CD1 3.71Å; W280-F494 HydrophobicContact CZ3-CD1 3.71Å; W280-F494 AromaticContact CZ3-CE1 3.74Å; W280-F494 HydrophobicContact CZ3-CE1 3.74Å
281	P	83.2	Confident	89	Confident	39 Å²	39	41.1 Å²	41.1	25%	0.253	20%	0.198	S	C	.	.	S	Bend	cis	-70.5	169.6	-2.8	31.7	-35.6	0	0	0	112.7	L275 S279 A286	L275-P281 HydrophobicContact CD1-CG 4.09Å; S279-P281 CarbonylContact C-O 3.53Å; P281-A286 HydrophobicContact CG-CB 4.21Å
282	S	85.3	Confident	88.6	Confident	47 Å²	47	38.7 Å²	38.7	33%	0.329	19%	0.194	S	C	.	.			trans	-65.5	153.6	172.7	86.6	0	0	0	0	110.7	K284 S285 A286	S282-K284 PolarHBondContact O-N 2.93Å; S282-K284 VanDerWaalsContact O-N 3.13Å; S282-K284 PolarHBondContact OG-N 2.76Å; S282-S285 WeakPolarHBondContact CA-OG 3.33Å; S282-S285 PolarHBondContact N-OG 2.64Å; S282-S285 PolarHBondContact O-N 2.88Å; S282-S285 VanDerWaalsContact O-N 3.09Å; S282-S285 PolarHBondContact O-OG 2.79Å; S282-S285 PolarHBondContact OG-N 3.37Å; S282-S285 PolarHBondContact OG-OG 3.06Å; S282-A286 PolarHBondContact O-N 2.81Å
283	M	85.1	Confident	88.1	Confident	47 Å²	47	44.6 Å²	44.6	23%	0.232	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.2	176.7	-73.5	-67.1	-69.2	0	0	113.2	T70 L275 E276 Y318	T70-M283 HydrophobicContact CG2-CE 3.44Å; T70-M283 VanDerWaalsContact CG2-CE 3.44Å; T70-M283 HydrophobicContact CG2-SD 4.46Å; L275-M283 HydrophobicContact CB-SD 4.1Å; L275-M283 HydrophobicContact CD2-SD 3.43Å; L275-M283 WeakPolarHBondContact CD2-SD 3.5Å; L275-M283 HydrophobicContact CG-SD 3.61Å; E276-M283 HydrophobicContact CB-CG 3.87Å; E276-M283 HydrophobicContact CB-SD 3.92Å; E276-M283 HydrophobicContact CG-CG 3.98Å; M283-Y318 HydrophobicContact CE-CE1 4.1Å; M283-Y318 HydrophobicContact CE-CE2 3.83Å; M283-Y318 VanDerWaalsContact CE-CZ 3.41Å; M283-Y318 WeakPolarHBondContact CE-OH 3.46Å
284	K	82.8	Confident	87.6	Confident	201 Å²	201	49.2 Å²	49.2	87%	0.874	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-33.6	178.9	-65.8	-175.8	177.8	-175.6	0	112.7	S282	S282-K284 PolarHBondContact O-N 2.93Å; S282-K284 VanDerWaalsContact O-N 3.13Å; S282-K284 PolarHBondContact OG-N 2.76Å
285	S	83.7	Confident	87.2	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.063	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-18.1	-178.5	50.3	0	0	0	0	113.3	S282 N356 E359	S282-S285 WeakPolarHBondContact CA-OG 3.33Å; S282-S285 PolarHBondContact N-OG 2.64Å; S282-S285 PolarHBondContact O-N 2.88Å; S282-S285 VanDerWaalsContact O-N 3.09Å; S282-S285 PolarHBondContact O-OG 2.79Å; S282-S285 PolarHBondContact OG-N 3.37Å; S282-S285 PolarHBondContact OG-OG 3.06Å; S285-N356 VanDerWaalsContact O-CB 3.24Å; S285-N356 WeakPolarHBondContact O-CB 3.14Å; S285-E359 WeakPolarHBondContact CB-OE1 3.36Å; S285-E359 WeakPolarHBondContact CB-OE2 3.48Å
286	A	88	Confident	86.8	Confident	11 Å²	11	50.2 Å²	50.2	9%	0.091	25%	0.25	C	C	.	.	S	Bend	trans	-68.4	145.5	-177.4	0	0	0	0	0	112.5	L275 P281 S282 R288 Y318	L275-A286 HydrophobicContact CD1-CB 4.38Å; L275-A286 HydrophobicContact CD2-CB 3.37Å; L275-A286 HydrophobicContact CG-CB 4.44Å; P281-A286 HydrophobicContact CG-CB 4.21Å; S282-A286 PolarHBondContact O-N 2.81Å; A286-R288 PolarHBondContact O-N 2.92Å; A286-R288 VanDerWaalsContact O-N 3.1Å; A286-Y318 HydrophobicContact CB-CD1 3.71Å; A286-Y318 HydrophobicContact CB-CE1 4.25Å
287	I	89.3	Confident	86.5	Confident	27 Å²	27	52.4 Å²	52.4	14%	0.138	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	98.6	179.1	-57.3	161.4	0	0	0	108.2	Y318 L319 N356 F380	I287-Y318 WeakPolarHBondContact O-CA 3.49Å; I287-L319 HydrophobicContact CB-CB 4.17Å; I287-L319 HydrophobicContact CG2-CB 4.16Å; I287-L319 HydrophobicContact CG2-CD2 4.4Å; I287-L319 PolarHBondContact O-N 2.85Å; I287-N356 HydrophobicContact CG1-CB 4.17Å; I287-F380 HydrophobicContact CD1-CB 3.42Å; I287-F380 VanDerWaalsContact CD1-CB 3.42Å; I287-F380 HydrophobicContact CD1-CD1 4.35Å; I287-F380 HydrophobicContact CD1-CD2 4.33Å; I287-F380 HydrophobicContact CD1-CG 3.8Å; I287-F380 HydrophobicContact CG1-CB 4.28Å
288	R	88.7	Confident	86.1	Confident	72 Å²	72	56.1 Å²	56.1	27%	0.272	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.7	178.1	-171.8	179.1	66.4	161.7	-1.3	110.7	K62 N64 A286 Y318	K62-R288 PolarHBondContact O-NH2 3.24Å; N64-R288 VanDerWaalsContact O-CZ 3.24Å; N64-R288 PolarHBondContact O-NH1 3.01Å; N64-R288 PolarHBondContact O-NH2 3.04Å; A286-R288 PolarHBondContact O-N 2.92Å; A286-R288 VanDerWaalsContact O-N 3.1Å; R288-Y318 HydrophobicContact CB-CD1 4.03Å; R288-Y318 HydrophobicContact CB-CE1 3.77Å; R288-Y318 HydrophobicContact CG-CD1 4.36Å; R288-Y318 HydrophobicContact CG-CE1 3.9Å
289	L	88	Confident	85.7	Confident	56 Å²	56	57.6 Å²	57.6	29%	0.293	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-77.6	155.6	171.5	-60.5	-173.5	0	0	0	110.7	I269 D317 L319	I269-L289 HydrophobicContact CD1-CD1 3.74Å; I269-L289 HydrophobicContact CG1-CD1 3.97Å; I269-L289 HydrophobicContact CG2-CD1 3.83Å; L289-D317 HydrophobicContact CB-CB 4.13Å; L289-D317 HydrophobicContact CD1-CB 4.07Å; L289-D317 HydrophobicContact CG-CB 4.41Å; L289-D317 PolarHBondContact N-O 2.83Å; L289-L319 HydrophobicContact CD2-CB 4.1Å
290	K	84.8	Confident	85.6	Confident	142 Å²	142	62 Å²	62	62%	0.617	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-57.6	132.8	175.9	-77.5	175.8	169.4	-173.2	0	109.8	L58	L58-K290 HydrophobicContact CD2-CD 4.15Å
291	P	84.6	Confident	85.4	Confident	10 Å²	10	62.7 Å²	62.7	7%	0.065	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-63.5	141.6	179.5	27	-34.3	0	0	0	110.5	L58 D295 M296 I311	L58-P291 VanDerWaalsContact CD1-O 3.23Å; L58-P291 WeakPolarHBondContact CD1-O 3.34Å; P291-D295 HydrophobicContact CB-CB 3.95Å; P291-M296 HydrophobicContact CB-CG 3.98Å; P291-M296 HydrophobicContact CB-SD 4.38Å; P291-M296 HydrophobicContact CG-CG 4.2Å; P291-M296 HydrophobicContact CG-SD 4.01Å; P291-I311 HydrophobicContact CB-CD1 4.41Å; P291-I311 HydrophobicContact CB-CG1 4.38Å; P291-I311 HydrophobicContact CB-CG2 4.27Å; P291-I311 HydrophobicContact CG-CD1 3.94Å; P291-I311 HydrophobicContact CG-CG1 4.32Å
292	S	82.8	Confident	85.3	Confident	39 Å²	39	66.2 Å²	66.2	27%	0.273	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-79.8	167.4	170.8	78	0	0	0	0	110.9	N294 D295	S292-N294 PolarHBondContact O-N 2.81Å; S292-N294 PolarHBondContact OG-N 3.42Å; S292-D295 WeakPolarHBondContact CA-OD2 3.16Å; S292-D295 VanDerWaalsContact CB-OD2 3.23Å; S292-D295 WeakPolarHBondContact CB-OD2 3.35Å; S292-D295 PolarHBondContact N-OD2 2.78Å; S292-D295 WeakPolarHBondContact O-CB 3.49Å; S292-D295 PolarHBondContact O-N 3.14Å; S292-D295 VanDerWaalsContact OG-CG 3.3Å; S292-D295 PolarHBondContact OG-OD2 3.16Å
293	K	82.2	Confident	85.2	Confident	125 Å²	125	70.9 Å²	70.9	54%	0.543	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.1	173.6	-169.4	174	179	173.2	0	113.2	F54 D295	F54-K293 HydrophobicContact CD2-CB 3.97Å; F54-K293 HydrophobicContact CD2-CD 4.36Å; F54-K293 HydrophobicContact CD2-CG 4.12Å; F54-K293 HydrophobicContact CE2-CB 3.54Å; F54-K293 HydrophobicContact CE2-CG 4.17Å; F54-K293 HydrophobicContact CZ-CB 4.34Å; K293-D295 VanDerWaalsContact C-N 3.35Å
294	N	83.9	Confident	85.2	Confident	100 Å²	100	72.4 Å²	72.4	54%	0.535	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-14	-179.4	-52	-75.1	0	0	0	113.4	R29 S292 M296	R29-N294 VanDerWaalsContact CZ-ND2 3.33Å; R29-N294 PolarHBondContact NH1-ND2 3Å; R29-N294 PolarHBondContact NH2-ND2 3.18Å; R29-N294 PolarHBondContact NH2-OD1 2.66Å; S292-N294 PolarHBondContact O-N 2.81Å; S292-N294 PolarHBondContact OG-N 3.42Å; N294-M296 VanDerWaalsContact C-N 3.34Å
295	D	85.4	Confident	85.2	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.027	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.7	178.3	-54.6	-47.3	0	0	0	111.2	R271 P291 S292 K293 I311 N312 T315	R271-D295 IonicContact NH1-OD1 2.76Å; P291-D295 HydrophobicContact CB-CB 3.95Å; S292-D295 WeakPolarHBondContact CA-OD2 3.16Å; S292-D295 VanDerWaalsContact CB-OD2 3.23Å; S292-D295 WeakPolarHBondContact CB-OD2 3.35Å; S292-D295 PolarHBondContact N-OD2 2.78Å; S292-D295 WeakPolarHBondContact O-CB 3.49Å; S292-D295 PolarHBondContact O-N 3.14Å; S292-D295 VanDerWaalsContact OG-CG 3.3Å; S292-D295 PolarHBondContact OG-OD2 3.16Å; K293-D295 VanDerWaalsContact C-N 3.35Å; D295-I311 CarbonylContact O-C 3.47Å; D295-I311 WeakPolarHBondContact O-CA 3.35Å; D295-N312 PolarHBondContact O-N 2.92Å; D295-T315 WeakPolarHBondContact OD1-CB 3.24Å; D295-T315 PolarHBondContact OD1-OG1 3.3Å
296	M	86.7	Confident	85.1	Confident	18 Å²	18	69 Å²	69	9%	0.089	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.8	-173.4	-61.7	-171.7	-61.8	0	0	111.7	F54 A61 P291 N294 W309 L310 I311	F54-M296 HydrophobicContact CD2-CE 4.09Å; F54-M296 HydrophobicContact CE2-CE 3.46Å; F54-M296 VanDerWaalsContact CE2-CE 3.46Å; F54-M296 HydrophobicContact CZ-CE 4.31Å; A61-M296 HydrophobicContact CB-SD 3.55Å; A61-M296 VanDerWaalsContact CB-SD 3.55Å; P291-M296 HydrophobicContact CB-CG 3.98Å; P291-M296 HydrophobicContact CB-SD 4.38Å; P291-M296 HydrophobicContact CG-CG 4.2Å; P291-M296 HydrophobicContact CG-SD 4.01Å; N294-M296 VanDerWaalsContact C-N 3.34Å; M296-W309 HydrophobicContact CB-CE3 3.82Å; M296-W309 HydrophobicContact CB-CZ3 4.04Å; M296-L310 WeakPolarHBondContact CA-O 3.49Å; M296-I311 HydrophobicContact CG-CG1 4.36Å
297	L	87.4	Confident	84.9	Confident	68 Å²	68	71.2 Å²	71.2	36%	0.356	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.8	173.3	-179	69.1	0	0	0	109.1	H77 F78 V299 L310	H77-L297 HydrophobicContact CB-CD2 3.64Å; F78-L297 HydrophobicContact CE1-CB 4.04Å; F78-L297 HydrophobicContact CE1-CD2 4.15Å; F78-L297 HydrophobicContact CZ-CB 3.97Å; F78-L297 HydrophobicContact CZ-CD2 4.34Å; L297-V299 HydrophobicContact CD2-CG2 3.72Å; L297-V299 HydrophobicContact CG-CG2 3.85Å; L297-L310 PolarHBondContact N-O 3.15Å; L297-L310 PolarHBondContact O-N 2.74Å
298	L	87.1	Confident	84.6	Confident	79 Å²	79	74.3 Å²	74.3	41%	0.414	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123	170.4	-170.5	59.8	0	0	0	108.6	W309	L298-W309 HydrophobicContact CB-CD2 4.25Å; L298-W309 HydrophobicContact CB-CE3 3.98Å; L298-W309 HydrophobicContact CB-CH2 3.68Å; L298-W309 HydrophobicContact CB-CZ2 3.9Å; L298-W309 HydrophobicContact CB-CZ3 3.73Å; L298-W309 HydrophobicContact CD1-CD2 3.83Å; L298-W309 HydrophobicContact CD1-CE3 4.4Å; L298-W309 HydrophobicContact CD1-CG 4.05Å; L298-W309 HydrophobicContact CD1-CZ2 3.94Å; L298-W309 HydrophobicContact CD2-CH2 4.42Å; L298-W309 HydrophobicContact CD2-CZ2 4Å; L298-W309 HydrophobicContact CG-CH2 4.45Å; L298-W309 HydrophobicContact CG-CZ2 4.17Å
299	V	86.7	Confident	84.4	Confident	30 Å²	30	73.1 Å²	73.1	18%	0.182	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.9	176.6	179	0	0	0	0	108.8	L297 S307 N308 L310	L297-V299 HydrophobicContact CD2-CG2 3.72Å; L297-V299 HydrophobicContact CG-CG2 3.85Å; V299-S307 CarbonylContact O-C 3.58Å; V299-S307 WeakPolarHBondContact O-CA 3.38Å; V299-N308 PolarHBondContact N-O 2.58Å; V299-N308 PolarHBondContact O-N 3.1Å; V299-L310 HydrophobicContact CB-CD1 4Å; V299-L310 HydrophobicContact CB-CG 4.3Å; V299-L310 HydrophobicContact CG2-CD1 3.47Å; V299-L310 VanDerWaalsContact CG2-CD1 3.47Å; V299-L310 HydrophobicContact CG2-CG 3.99Å
300	E	86.5	Confident	84.4	Confident	131 Å²	131	72 Å²	72	61%	0.612	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.1	172.9	-164.9	177.9	173.5	0	0	109.3	S302	E300-S302 PolarHBondContact O-N 3.29Å
301	D	81	Confident	84.6	Confident	60 Å²	60	65.3 Å²	65.3	32%	0.321	36%	0.364	S	S	.	.			trans	-70.2	115.2	172.3	173.3	4.5	0	0	0	109	N303 T304 G305 I306	D301-N303 PolarHBondContact O-N 3.39Å; D301-N303 WeakPolarHBondContact OD1-CB 3.13Å; D301-N303 PolarHBondContact OD1-N 3.2Å; D301-T304 WeakPolarHBondContact CB-OG1 3.45Å; D301-T304 VanDerWaalsContact CG-OG1 3.27Å; D301-T304 PolarHBondContact O-N 2.94Å; D301-T304 VanDerWaalsContact O-N 3.14Å; D301-T304 WeakPolarHBondContact OD2-CG2 3.15Å; D301-T304 PolarHBondContact OD2-OG1 3.49Å; D301-G305 WeakPolarHBondContact O-CA 3.49Å; D301-G305 PolarHBondContact O-N 3.29Å; D301-I306 PolarHBondContact N-O 3.19Å
302	S	81.8	Confident	84.8	Confident	113 Å²	113	66.2 Å²	66.2	79%	0.79	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.8	-178.5	56.3	0	0	0	0	113.9	E300	E300-S302 PolarHBondContact O-N 3.29Å
303	N	82.7	Confident	85.1	Confident	145 Å²	145	64.5 Å²	64.5	78%	0.775	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-30.9	-178.8	-63.8	-31.9	0	0	0	113	D301	D301-N303 PolarHBondContact O-N 3.39Å; D301-N303 WeakPolarHBondContact OD1-CB 3.13Å; D301-N303 PolarHBondContact OD1-N 3.2Å
304	T	85.5	Confident	85.5	Confident	79 Å²	79	59 Å²	59	49%	0.485	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-17.2	-172.3	59.6	0	0	0	0	113.4	D301 I306	D301-T304 WeakPolarHBondContact CB-OG1 3.45Å; D301-T304 VanDerWaalsContact CG-OG1 3.27Å; D301-T304 PolarHBondContact O-N 2.94Å; D301-T304 VanDerWaalsContact O-N 3.14Å; D301-T304 WeakPolarHBondContact OD2-CG2 3.15Å; D301-T304 PolarHBondContact OD2-OG1 3.49Å; T304-I306 PolarHBondContact O-N 3.35Å; T304-I306 PolarHBondContact OG1-N 3Å
305	G	82.6	Confident	85.8	Confident	42 Å²	42	56 Å²	56	43%	0.433	32%	0.318	S	S	.	.			trans	67.1	6.1	-169.7	0	0	0	0	0	113.2	D301 S307	D301-G305 WeakPolarHBondContact O-CA 3.49Å; D301-G305 PolarHBondContact O-N 3.29Å; G305-S307 PolarHBondContact O-N 3.47Å
306	I	82.5	Confident	85.9	Confident	98 Å²	98	56 Å²	56	50%	0.503	32%	0.318	S	S	.	.			trans	-83.1	122.3	-179.2	-59.1	174.2	0	0	0	108	D301 T304	D301-I306 PolarHBondContact N-O 3.19Å; T304-I306 PolarHBondContact O-N 3.35Å; T304-I306 PolarHBondContact OG1-N 3Å
307	S	82.3	Confident	86.2	Confident	57 Å²	57	56.7 Å²	56.7	40%	0.399	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124	176.1	-64.9	0	0	0	0	110.8	V299 G305	V299-S307 CarbonylContact O-C 3.58Å; V299-S307 WeakPolarHBondContact O-CA 3.38Å; G305-S307 PolarHBondContact O-N 3.47Å
308	N	83.1	Confident	86.4	Confident	92 Å²	92	53.7 Å²	53.7	49%	0.492	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.8	177.2	-73.9	-35.8	0	0	0	110.9	V299 L310	V299-N308 PolarHBondContact N-O 2.58Å; V299-N308 PolarHBondContact O-N 3.1Å; N308-L310 PolarHBondContact O-N 3.01Å
309	W	85.2	Confident	86.7	Confident	46 Å²	46	51.2 Å²	51.2	17%	0.174	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.5	172.8	-73.9	100.9	0	0	0	110.6	K57 A61 N64 M296 L298	K57-W309 HydrophobicContact CB-CH2 4.38Å; K57-W309 HydrophobicContact CB-CZ2 3.86Å; K57-W309 HydrophobicContact CD-CH2 3.58Å; K57-W309 HydrophobicContact CD-CZ2 3.4Å; K57-W309 VanDerWaalsContact CD-CZ2 3.4Å; K57-W309 HydrophobicContact CG-CH2 3.98Å; K57-W309 HydrophobicContact CG-CZ2 3.3Å; A61-W309 HydrophobicContact CB-CB 3.87Å; A61-W309 HydrophobicContact CB-CG 4.32Å; N64-W309 PolarHBondContact ND2-O 3.35Å; M296-W309 HydrophobicContact CB-CE3 3.82Å; M296-W309 HydrophobicContact CB-CZ3 4.04Å; L298-W309 HydrophobicContact CB-CD2 4.25Å; L298-W309 HydrophobicContact CB-CE3 3.98Å; L298-W309 HydrophobicContact CB-CH2 3.68Å; L298-W309 HydrophobicContact CB-CZ2 3.9Å; L298-W309 HydrophobicContact CB-CZ3 3.73Å; L298-W309 HydrophobicContact CD1-CD2 3.83Å; L298-W309 HydrophobicContact CD1-CE3 4.4Å; L298-W309 HydrophobicContact CD1-CG 4.05Å; L298-W309 HydrophobicContact CD1-CZ2 3.94Å; L298-W309 HydrophobicContact CD2-CH2 4.42Å; L298-W309 HydrophobicContact CD2-CZ2 4Å; L298-W309 HydrophobicContact CG-CH2 4.45Å; L298-W309 HydrophobicContact CG-CZ2 4.17Å
310	L	87.7	Confident	87	Confident	33 Å²	33	49.9 Å²	49.9	17%	0.173	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.5	170.6	-59.4	-174.5	0	0	0	110.1	S67 D75 F78 M296 L297 V299 N308	S67-L310 WeakPolarHBondContact OG-CB 3.37Å; D75-L310 WeakPolarHBondContact OD2-CD1 3.48Å; F78-L310 HydrophobicContact CE2-CB 3.86Å; F78-L310 HydrophobicContact CZ-CB 3.85Å; M296-L310 WeakPolarHBondContact CA-O 3.49Å; L297-L310 PolarHBondContact N-O 3.15Å; L297-L310 PolarHBondContact O-N 2.74Å; V299-L310 HydrophobicContact CB-CD1 4Å; V299-L310 HydrophobicContact CB-CG 4.3Å; V299-L310 HydrophobicContact CG2-CD1 3.47Å; V299-L310 VanDerWaalsContact CG2-CD1 3.47Å; V299-L310 HydrophobicContact CG2-CG 3.99Å; N308-L310 PolarHBondContact O-N 3.01Å
311	I	88.1	Confident	87.4	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.3	176.1	-66.5	164.4	0	0	0	108.8	A61 N64 P66 S67 P291 D295 M296 P313	A61-I311 HydrophobicContact CB-CD1 4.44Å; A61-I311 WeakPolarHBondContact O-CD1 3.47Å; N64-I311 HydrophobicContact CB-CD1 4.08Å; N64-I311 VanDerWaalsContact O-CD1 3.25Å; N64-I311 WeakPolarHBondContact O-CD1 3.42Å; P66-I311 HydrophobicContact CB-CG2 4.4Å; S67-I311 PolarHBondContact N-O 3.27Å; S67-I311 PolarHBondContact OG-O 2.85Å; P291-I311 HydrophobicContact CB-CD1 4.41Å; P291-I311 HydrophobicContact CB-CG1 4.38Å; P291-I311 HydrophobicContact CB-CG2 4.27Å; P291-I311 HydrophobicContact CG-CD1 3.94Å; P291-I311 HydrophobicContact CG-CG1 4.32Å; D295-I311 CarbonylContact O-C 3.47Å; D295-I311 WeakPolarHBondContact O-CA 3.35Å; M296-I311 HydrophobicContact CG-CG1 4.36Å; I311-P313 VanDerWaalsContact O-CD 3.26Å; I311-P313 WeakPolarHBondContact O-CD 3.45Å
312	N	90	Very high	88.2	Confident	28 Å²	28	41.4 Å²	41.4	15%	0.15	25%	0.246	C	C	.	.			trans	-64.8	113.1	179.1	-175.4	-15.3	0	0	0	110.4	F78 D295 H314 T315 A316	F78-N312 HydrophobicContact CD1-CB 3.73Å; F78-N312 HydrophobicContact CD2-CB 4.49Å; F78-N312 HydrophobicContact CE1-CB 3.63Å; F78-N312 HydrophobicContact CE2-CB 4.39Å; F78-N312 HydrophobicContact CG-CB 4.18Å; F78-N312 HydrophobicContact CZ-CB 3.98Å; D295-N312 PolarHBondContact O-N 2.92Å; N312-H314 VanDerWaalsContact C-N 3.28Å; N312-H314 PolarHBondContact O-N 2.92Å; N312-H314 WeakPolarHBondContact OD1-CB 3.18Å; N312-H314 PolarHBondContact OD1-CD2 2.83Å; N312-H314 PolarHBondContact OD1-N 3.35Å; N312-T315 WeakPolarHBondContact CB-OG1 3.4Å; N312-T315 PolarHBondContact O-N 3.47Å; N312-A316 PolarHBondContact O-N 3.36Å; N312-A316 VanDerWaalsContact O-N 3.09Å
313	P	89.3	Confident	88.9	Confident	4 Å²	4	36 Å²	36	3%	0.026	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-31.3	-178.8	27	-33.7	0	0	0	112.6	P66 S69 T70 I311 T315	P66-P313 HydrophobicContact CB-CB 3.81Å; S69-P313 WeakPolarHBondContact O-CG 3.07Å; T70-P313 HydrophobicContact CG2-CB 3.9Å; T70-P313 VanDerWaalsContact CG2-O 3.26Å; T70-P313 WeakPolarHBondContact CG2-O 3.4Å; I311-P313 VanDerWaalsContact O-CD 3.26Å; I311-P313 WeakPolarHBondContact O-CD 3.45Å; P313-T315 VanDerWaalsContact C-N 3.31Å; P313-T315 PolarHBondContact O-N 3.14Å
314	H	90	Very high	89.5	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.037	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-21.5	-175.9	-48.9	-63.7	0	0	0	113.2	S69 T70 C79 V81 P273 N312	S69-H314 PolarHBondContact O-CE1 3.3Å; T70-H314 WeakPolarHBondContact CA-ND1 3.35Å; T70-H314 PolarHBondContact O-CE1 2.73Å; T70-H314 PolarHBondContact O-ND1 3.06Å; C79-H314 PolarHBondContact O-CD2 3.4Å; C79-H314 VanDerWaalsContact O-CD2 3.3Å; V81-H314 HydrophobicContact CG2-CB 3.87Å; P273-H314 WeakPolarHBondContact CD-O 3.47Å; P273-H314 HydrophobicContact CG-CB 4.24Å; N312-H314 VanDerWaalsContact C-N 3.28Å; N312-H314 PolarHBondContact O-N 2.92Å; N312-H314 WeakPolarHBondContact OD1-CB 3.18Å; N312-H314 PolarHBondContact OD1-CD2 2.83Å; N312-H314 PolarHBondContact OD1-N 3.35Å
315	T	89.4	Confident	90	Very high	39 Å²	39	26 Å²	26	24%	0.239	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-6.8	178	66.1	0	0	0	0	112.9	R271 D295 N312 P313 D317	R271-T315 VanDerWaalsContact CD-O 3.23Å; R271-T315 WeakPolarHBondContact CD-O 3.31Å; R271-T315 PolarHBondContact NH1-O 2.56Å; D295-T315 WeakPolarHBondContact OD1-CB 3.24Å; D295-T315 PolarHBondContact OD1-OG1 3.3Å; N312-T315 WeakPolarHBondContact CB-OG1 3.4Å; N312-T315 PolarHBondContact O-N 3.47Å; P313-T315 VanDerWaalsContact C-N 3.31Å; P313-T315 PolarHBondContact O-N 3.14Å; T315-D317 PolarHBondContact O-N 3.47Å
316	A	88.6	Confident	90.7	Very high	3 Å²	3	24 Å²	24	3%	0.025	13%	0.131	C	C	.	.			trans	-57.6	135.6	174.4	0	0	0	0	0	112.3	P66 R271 G272 N312 Y318	P66-A316 HydrophobicContact CG-CB 4.46Å; R271-A316 CarbonylContact C-O 3.07Å; R271-A316 WeakPolarHBondContact CA-O 3.26Å; G272-A316 PolarHBondContact N-O 3.46Å; N312-A316 PolarHBondContact O-N 3.36Å; N312-A316 VanDerWaalsContact O-N 3.09Å; A316-Y318 HydrophobicContact CB-CE2 3.8Å
317	D	91.9	Very high	91.4	Very high	34 Å²	34	19.5 Å²	19.5	18%	0.182	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141.4	179.2	-78.7	-44.9	0	0	0	111.6	I269 R271 L289 T315	I269-D317 HydrophobicContact CG2-CB 3.84Å; R271-D317 WeakPolarHBondContact CD-OD1 3.35Å; R271-D317 IonicContact CZ-OD1 3.48Å; R271-D317 IonicContact CZ-OD2 3.6Å; R271-D317 IonicContact NE-OD1 2.69Å; R271-D317 PolarHBondContact NE-OD1 3.49Å; R271-D317 VanDerWaalsContact NE-OD1 3.09Å; R271-D317 IonicContact NH1-OD1 2.94Å; R271-D317 PolarHBondContact NH1-OD1 3.41Å; R271-D317 IonicContact NH1-OD2 2.7Å; R271-D317 PolarHBondContact NH1-OD2 2.76Å; R271-D317 IonicContact NH2-OD1 3.6Å; R271-D317 PolarHBondContact NH2-OD1 2.57Å; R271-D317 VanDerWaalsContact NH2-OD1 3.11Å; R271-D317 IonicContact NH2-OD2 2.82Å; R271-D317 PolarHBondContact NH2-OD2 2.86Å; L289-D317 HydrophobicContact CB-CB 4.13Å; L289-D317 HydrophobicContact CD1-CB 4.07Å; L289-D317 HydrophobicContact CG-CB 4.41Å; L289-D317 PolarHBondContact N-O 2.83Å; T315-D317 PolarHBondContact O-N 3.47Å
318	Y	92.8	Very high	92.1	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.02	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.1	-178.9	-65.6	-94.2	0	0	0	110.9	P66 I269 V270 L275 M283 A286 I287 R288 A316	P66-Y318 WeakPolarHBondContact CG-OH 3.05Å; I269-Y318 CarbonylContact C-O 3.41Å; I269-Y318 VanDerWaalsContact CA-O 3.29Å; I269-Y318 WeakPolarHBondContact CA-O 3.33Å; V270-Y318 PolarHBondContact N-O 2.72Å; V270-Y318 PolarHBondContact O-N 3.26Å; L275-Y318 HydrophobicContact CD2-CD1 3.5Å; L275-Y318 HydrophobicContact CD2-CD2 3.92Å; L275-Y318 HydrophobicContact CD2-CE1 4.03Å; L275-Y318 HydrophobicContact CD2-CE2 4.42Å; L275-Y318 HydrophobicContact CD2-CG 3.43Å; L275-Y318 VanDerWaalsContact CD2-CG 3.43Å; M283-Y318 HydrophobicContact CE-CE1 4.1Å; M283-Y318 HydrophobicContact CE-CE2 3.83Å; M283-Y318 VanDerWaalsContact CE-CZ 3.41Å; M283-Y318 WeakPolarHBondContact CE-OH 3.46Å; A286-Y318 HydrophobicContact CB-CD1 3.71Å; A286-Y318 HydrophobicContact CB-CE1 4.25Å; I287-Y318 WeakPolarHBondContact O-CA 3.49Å; R288-Y318 HydrophobicContact CB-CD1 4.03Å; R288-Y318 HydrophobicContact CB-CE1 3.77Å; R288-Y318 HydrophobicContact CG-CD1 4.36Å; R288-Y318 HydrophobicContact CG-CE1 3.9Å; A316-Y318 HydrophobicContact CB-CE2 3.8Å
319	L	93.3	Very high	92.8	Very high	27 Å²	27	12.5 Å²	12.5	14%	0.141	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.7	171.7	-176.3	68.1	0	0	0	109.1	D268 I269 I287 L289 Y354	D268-L319 HydrophobicContact CB-CD1 4.12Å; I269-L319 HydrophobicContact CG1-CD1 4.38Å; I287-L319 HydrophobicContact CB-CB 4.17Å; I287-L319 HydrophobicContact CG2-CB 4.16Å; I287-L319 HydrophobicContact CG2-CD2 4.4Å; I287-L319 PolarHBondContact O-N 2.85Å; L289-L319 HydrophobicContact CD2-CB 4.1Å; L319-Y354 HydrophobicContact CD1-CD2 3.78Å; L319-Y354 HydrophobicContact CD1-CE1 4.49Å; L319-Y354 HydrophobicContact CD1-CE2 3.72Å; L319-Y354 HydrophobicContact CD1-CG 4.22Å; L319-Y354 HydrophobicContact CD2-CD1 3.69Å; L319-Y354 HydrophobicContact CD2-CD2 4.2Å; L319-Y354 HydrophobicContact CD2-CE1 4.04Å; L319-Y354 HydrophobicContact CD2-CG 3.76Å; L319-Y354 HydrophobicContact CG-CD1 4.1Å; L319-Y354 HydrophobicContact CG-CD2 3.67Å; L319-Y354 HydrophobicContact CG-CE1 4.48Å; L319-Y354 HydrophobicContact CG-CE2 4.11Å; L319-Y354 HydrophobicContact CG-CG 3.67Å
320	V	93.9	Very high	93.3	Very high	2 Å²	2	12 Å²	12	1%	0.012	7%	0.072	C	C	.	.			trans	-124.5	-30.5	-176.2	-63.3	0	0	0	0	112.2	D268 V270 L275 S324 A326 Y354	D268-V320 PolarHBondContact O-N 2.61Å; V270-V320 HydrophobicContact CB-CG2 4.17Å; V270-V320 HydrophobicContact CG1-CG2 3.57Å; V270-V320 HydrophobicContact CG2-CB 4.3Å; V270-V320 HydrophobicContact CG2-CG1 3.66Å; V270-V320 HydrophobicContact CG2-CG2 3.59Å; L275-V320 HydrophobicContact CD1-CG1 3.96Å; V320-S324 WeakPolarHBondContact CG2-OG 3.2Å; V320-A326 HydrophobicContact CB-CB 4.16Å; V320-A326 HydrophobicContact CG1-CB 4.08Å; V320-A326 HydrophobicContact CG2-CB 4.08Å; V320-Y354 PolarHBondContact O-N 3.04Å
321	G	94.5	Very high	93.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.			trans	93.2	143.2	-177.5	0	0	0	0	0	113.3	D268 A323 S324 A327 S352	D268-G321 PolarHBondContact O-N 2.86Å; D268-G321 WeakPolarHBondContact OD1-CA 3.15Å; G321-A323 PolarHBondContact O-N 3.02Å; G321-S324 WeakPolarHBondContact O-CB 3.33Å; G321-S324 PolarHBondContact O-N 2.73Å; G321-S324 PolarHBondContact O-OG 3.1Å; G321-A327 WeakPolarHBondContact O-CB 3.49Å; G321-S352 CarbonylContact C-O 3.6Å; G321-S352 WeakPolarHBondContact CA-O 3.26Å
322	S	96.5	Very high	93.9	Very high	13 Å²	13	15.3 Å²	15.3	9%	0.091	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.5	-173.3	41.1	0	0	0	0	114.1	L266 D268 S349 G351 S352	L266-S322 WeakPolarHBondContact CB-O 3.26Å; L266-S322 WeakPolarHBondContact CD1-O 3.26Å; L266-S322 WeakPolarHBondContact O-CB 3.47Å; D268-S322 VanDerWaalsContact OD1-CB 3.23Å; D268-S322 WeakPolarHBondContact OD1-CB 3.36Å; D268-S322 PolarHBondContact OD1-N 3.08Å; D268-S322 PolarHBondContact OD1-OG 3.3Å; S322-S349 PolarHBondContact O-OG 2.89Å; S322-G351 VanDerWaalsContact OG-CA 3.29Å; S322-G351 WeakPolarHBondContact OG-CA 3.36Å; S322-S352 PolarHBondContact N-O 3.36Å; S322-S352 VanDerWaalsContact N-O 3.09Å; S322-S352 PolarHBondContact OG-N 2.85Å
323	A	96.5	Very high	94.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	4.4	173.7	0	0	0	0	0	113.1	G321 S352 V353 Q385 S387	G321-A323 PolarHBondContact O-N 3.02Å; A323-S352 PolarHBondContact N-O 3.23Å; A323-V353 HydrophobicContact CB-CG2 4.12Å; A323-Q385 HydrophobicContact CB-CB 3.86Å; A323-Q385 HydrophobicContact CB-CG 4.12Å; A323-Q385 WeakPolarHBondContact CB-O 3.43Å; A323-Q385 PolarHBondContact O-NE2 3.49Å; A323-S387 VanDerWaalsContact O-CB 3.26Å; A323-S387 WeakPolarHBondContact O-CB 3.4Å; A323-S387 PolarHBondContact O-OG 2.93Å
324	S	96.1	Very high	94.1	Very high	8 Å²	8	20.9 Å²	20.9	6%	0.056	11%	0.109	C	C	.	.	S	Bend	trans	-78.7	155	178.7	72.3	0	0	0	0	112.6	V320 G321 A326 A327 F328	V320-S324 WeakPolarHBondContact CG2-OG 3.2Å; G321-S324 WeakPolarHBondContact O-CB 3.33Å; G321-S324 PolarHBondContact O-N 2.73Å; G321-S324 PolarHBondContact O-OG 3.1Å; S324-A326 PolarHBondContact O-N 3.03Å; S324-A327 WeakPolarHBondContact O-CB 3.43Å; S324-A327 PolarHBondContact O-N 2.84Å; S324-A327 VanDerWaalsContact O-N 3.13Å; S324-A327 PolarHBondContact OG-N 2.9Å; S324-A327 VanDerWaalsContact OG-N 3.11Å; S324-F328 WeakPolarHBondContact O-CD2 3.23Å; S324-F328 PolarHBondContact O-N 3.14Å
325	L	97	Very high	94	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-59.7	-34.3	171.7	-178.1	56.1	0	0	0	112	T278 W280 A327 F328 S329 L389 I464 I468 F494	T278-L325 HydrophobicContact CG2-CG 3.96Å; W280-L325 HydrophobicContact CE3-CD2 3.75Å; W280-L325 HydrophobicContact CZ3-CD2 4.33Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 2.84Å; L325-F328 WeakPolarHBondContact O-CB 3.46Å; L325-F328 PolarHBondContact O-N 3.25Å; L325-S329 WeakPolarHBondContact O-CB 3.23Å; L325-S329 PolarHBondContact O-N 3.4Å; L325-L389 HydrophobicContact CD1-CD1 4.03Å; L325-I464 HydrophobicContact CD1-CD1 3.96Å; L325-I464 HydrophobicContact CD2-CD1 3.9Å; L325-I468 HydrophobicContact CD1-CD1 4.01Å; L325-I468 HydrophobicContact CD2-CD1 3.67Å; L325-I468 HydrophobicContact CG-CD1 3.94Å; L325-F494 HydrophobicContact CB-CD1 4.47Å; L325-F494 HydrophobicContact CB-CD2 4.34Å; L325-F494 HydrophobicContact CB-CE1 4.28Å; L325-F494 HydrophobicContact CB-CE2 4.14Å; L325-F494 HydrophobicContact CB-CG 4.5Å; L325-F494 HydrophobicContact CB-CZ 4.11Å; L325-F494 HydrophobicContact CD1-CB 4.06Å; L325-F494 HydrophobicContact CD1-CD2 3.74Å; L325-F494 HydrophobicContact CD1-CE2 4.31Å; L325-F494 HydrophobicContact CD1-CG 3.87Å
326	A	96.6	Very high	93.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-36	175.4	0	0	0	0	0	112.7	V270 L275 T278 V320 S324 S329 A330	V270-A326 HydrophobicContact CG2-CB 4.32Å; L275-A326 HydrophobicContact CD1-CB 4.07Å; T278-A326 HydrophobicContact CG2-CB 4.44Å; V320-A326 HydrophobicContact CB-CB 4.16Å; V320-A326 HydrophobicContact CG1-CB 4.08Å; V320-A326 HydrophobicContact CG2-CB 4.08Å; S324-A326 PolarHBondContact O-N 3.03Å; A326-S329 WeakPolarHBondContact O-CB 3.43Å; A326-S329 PolarHBondContact O-N 3.07Å; A326-A330 WeakPolarHBondContact O-CB 3.41Å; A326-A330 PolarHBondContact O-N 3.03Å
327	A	97.1	Very high	93.2	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-66.8	-40.3	174.9	0	0	0	0	0	112.1	L266 V270 G321 S324 L325 A330 Y331	L266-A327 HydrophobicContact CB-CB 3.97Å; L266-A327 HydrophobicContact CD1-CB 4.03Å; V270-A327 HydrophobicContact CG1-CB 4.46Å; G321-A327 WeakPolarHBondContact O-CB 3.49Å; S324-A327 WeakPolarHBondContact O-CB 3.43Å; S324-A327 PolarHBondContact O-N 2.84Å; S324-A327 VanDerWaalsContact O-N 3.13Å; S324-A327 PolarHBondContact OG-N 2.9Å; S324-A327 VanDerWaalsContact OG-N 3.11Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 2.84Å; A327-A330 PolarHBondContact O-N 2.8Å; A327-Y331 PolarHBondContact O-N 3.3Å
328	F	97.1	Very high	92.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-44.4	172	-80.3	-74	0	0	0	112.1	V264 L266 S324 L325 A330 Y331 L332 L347 S349 L389 F494	V264-F328 HydrophobicContact CG2-CE1 3.9Å; V264-F328 HydrophobicContact CG2-CZ 4.45Å; L266-F328 HydrophobicContact CD1-CB 4.38Å; L266-F328 HydrophobicContact CD1-CD1 3.65Å; L266-F328 HydrophobicContact CD1-CD2 3.98Å; L266-F328 HydrophobicContact CD1-CE1 3.82Å; L266-F328 HydrophobicContact CD1-CE2 4.14Å; L266-F328 HydrophobicContact CD1-CG 3.74Å; L266-F328 HydrophobicContact CD1-CZ 4.07Å; S324-F328 WeakPolarHBondContact O-CD2 3.23Å; S324-F328 PolarHBondContact O-N 3.14Å; L325-F328 WeakPolarHBondContact O-CB 3.46Å; L325-F328 PolarHBondContact O-N 3.25Å; F328-A330 VanDerWaalsContact C-N 3.33Å; F328-A330 PolarHBondContact O-N 2.89Å; F328-Y331 WeakPolarHBondContact O-CB 3.5Å; F328-Y331 PolarHBondContact O-N 3.06Å; F328-L332 WeakPolarHBondContact O-CG 3.38Å; F328-L332 PolarHBondContact O-N 2.84Å; F328-L347 HydrophobicContact CD1-CB 4.44Å; F328-L347 HydrophobicContact CD1-CD1 4.39Å; F328-L347 HydrophobicContact CE1-CB 3.75Å; F328-L347 HydrophobicContact CE1-CD1 4.47Å; F328-S349 VanDerWaalsContact CZ-CB 3.49Å; F328-L389 HydrophobicContact CB-CD2 4.04Å; F328-L389 HydrophobicContact CD1-CB 3.59Å; F328-L389 HydrophobicContact CD1-CD2 3.97Å; F328-L389 HydrophobicContact CD1-CG 4.38Å; F328-L389 HydrophobicContact CD2-CB 4.37Å; F328-L389 HydrophobicContact CE1-CB 3.73Å; F328-L389 HydrophobicContact CE2-CB 4.5Å; F328-L389 HydrophobicContact CG-CB 3.94Å; F328-L389 HydrophobicContact CG-CD2 4.21Å; F328-L389 HydrophobicContact CZ-CB 4.18Å; F328-F494 HydrophobicContact CD2-CD2 4.4Å; F328-F494 AromaticContact CD2-CE2 3.92Å; F328-F494 HydrophobicContact CD2-CE2 3.92Å; F328-F494 AromaticContact CE2-CE2 3.96Å; F328-F494 HydrophobicContact CE2-CE2 3.96Å
329	S	96.4	Very high	91	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-56.9	-46.2	175.3	176.1	0	0	0	0	111.4	A274 L325 A326 Y331 L332 M333 I472	A274-S329 PolarHBondContact O-OG 3.34Å; L325-S329 WeakPolarHBondContact O-CB 3.23Å; L325-S329 PolarHBondContact O-N 3.4Å; A326-S329 WeakPolarHBondContact O-CB 3.43Å; A326-S329 PolarHBondContact O-N 3.07Å; S329-Y331 VanDerWaalsContact C-N 3.32Å; S329-Y331 PolarHBondContact O-N 3.28Å; S329-L332 PolarHBondContact O-N 2.99Å; S329-M333 PolarHBondContact O-N 2.99Å; S329-I472 WeakPolarHBondContact O-CD1 3.35Å; S329-I472 WeakPolarHBondContact OG-CG2 3.07Å
330	A	95.9	Very high	89.2	Confident	34 Å²	34	35.5 Å²	35.5	28%	0.281	17%	0.17	S	C	.	.	H	α-helix	trans	-61.8	-39.6	176.6	0	0	0	0	0	112.5	V270 A274 A326 A327 F328 L332	V270-A330 HydrophobicContact CB-CB 4.09Å; V270-A330 HydrophobicContact CG1-CB 3.63Å; A274-A330 HydrophobicContact CB-CB 3.59Å; A326-A330 WeakPolarHBondContact O-CB 3.41Å; A326-A330 PolarHBondContact O-N 3.03Å; A327-A330 PolarHBondContact O-N 2.8Å; F328-A330 VanDerWaalsContact C-N 3.33Å; F328-A330 PolarHBondContact O-N 2.89Å; A330-L332 VanDerWaalsContact C-N 3.31Å; A330-L332 PolarHBondContact O-N 3.05Å
331	Y	95.3	Very high	87.3	Confident	94 Å²	94	40.9 Å²	40.9	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-65.6	-32.7	177.4	178.4	-104.5	0	0	0	113.1	L266 A327 F328 S329 H335 L347	L266-Y331 HydrophobicContact CD2-CD1 4.43Å; L266-Y331 HydrophobicContact CD2-CD2 3.94Å; L266-Y331 HydrophobicContact CD2-CG 3.8Å; A327-Y331 PolarHBondContact O-N 3.3Å; F328-Y331 WeakPolarHBondContact O-CB 3.5Å; F328-Y331 PolarHBondContact O-N 3.06Å; S329-Y331 VanDerWaalsContact C-N 3.32Å; S329-Y331 PolarHBondContact O-N 3.28Å; Y331-H335 PolarHBondContact O-CD2 3.23Å; Y331-H335 PolarHBondContact O-NE2 3.06Å; Y331-L347 HydrophobicContact CD1-CD1 4.24Å; Y331-L347 HydrophobicContact CE1-CD1 4.08Å
332	L	94	Very high	85.7	Confident	11 Å²	11	43.8 Å²	43.8	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-94.3	-9.9	-177.6	-65	175.5	0	0	0	113.9	F328 S329 A330 H334 H335 L389 L391 I472 T474 M492	F328-L332 WeakPolarHBondContact O-CG 3.38Å; F328-L332 PolarHBondContact O-N 2.84Å; S329-L332 PolarHBondContact O-N 2.99Å; A330-L332 VanDerWaalsContact C-N 3.31Å; A330-L332 PolarHBondContact O-N 3.05Å; L332-H334 PolarHBondContact O-N 3.09Å; L332-H335 WeakPolarHBondContact O-CB 3.29Å; L332-H335 PolarHBondContact O-N 3.23Å; L332-L389 HydrophobicContact CD1-CD2 3.45Å; L332-L389 VanDerWaalsContact CD1-CD2 3.45Å; L332-L391 HydrophobicContact CD1-CD1 3.86Å; L332-L391 HydrophobicContact CD1-CD2 3.93Å; L332-L391 HydrophobicContact CD1-CG 4.43Å; L332-L391 HydrophobicContact CD2-CD1 3.91Å; L332-I472 HydrophobicContact CB-CD1 3.84Å; L332-T474 HydrophobicContact CB-CG2 4.1Å; L332-T474 WeakPolarHBondContact CB-OG1 3.37Å; L332-T474 PolarHBondContact O-OG1 3.37Å; L332-M492 HydrophobicContact CD1-CE 3.8Å
333	M	93.4	Very high	84.6	Confident	53 Å²	53	45.9 Å²	45.9	26%	0.261	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	128.1	-174.9	-171.6	175.1	65.6	0	0	111.5	L82 P273 A274 S329 H335 I472	L82-M333 HydrophobicContact CD1-CG 4.16Å; L82-M333 HydrophobicContact CD1-SD 3.8Å; L82-M333 HydrophobicContact CD2-CG 3.92Å; L82-M333 HydrophobicContact CD2-SD 4.38Å; L82-M333 HydrophobicContact CG-CG 4.45Å; L82-M333 HydrophobicContact CG-SD 4.29Å; P273-M333 HydrophobicContact CB-SD 4.38Å; A274-M333 HydrophobicContact CB-SD 4.48Å; S329-M333 PolarHBondContact O-N 2.99Å; M333-H335 PolarHBondContact O-N 2.63Å; M333-I472 WeakPolarHBondContact CA-O 3.42Å; M333-I472 HydrophobicContact CB-CB 4.26Å; M333-I472 HydrophobicContact CG-CB 4.18Å
334	H	90.1	Very high	84.1	Confident	97 Å²	97	47 Å²	47	45%	0.449	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	7.5	-174.8	-72.4	-66.1	0	0	0	116.4	V81 L82 L332 I472	V81-H334 PolarHBondContact O-CE1 3.25Å; V81-H334 PolarHBondContact O-NE2 2.65Å; L82-H334 VanDerWaalsContact CD2-CE1 3.44Å; L82-H334 WeakPolarHBondContact CD2-CE1 3.46Å; L82-H334 WeakPolarHBondContact CD2-NE2 3.04Å; L332-H334 PolarHBondContact O-N 3.09Å; H334-I472 PolarHBondContact N-O 2.82Å
335	H	87.9	Confident	83.7	Confident	67 Å²	67	49 Å²	49	31%	0.31	25%	0.248	S	C	.	.			trans	-73.2	145.1	179.1	-88.9	-86.1	0	0	0	112.4	Y331 L332 M333 T474 K475	Y331-H335 PolarHBondContact O-CD2 3.23Å; Y331-H335 PolarHBondContact O-NE2 3.06Å; L332-H335 WeakPolarHBondContact O-CB 3.29Å; L332-H335 PolarHBondContact O-N 3.23Å; M333-H335 PolarHBondContact O-N 2.63Å; H335-T474 CarbonylContact O-C 3.58Å; H335-T474 WeakPolarHBondContact O-CA 3.32Å; H335-K475 PolarHBondContact O-N 3.17Å
336	R	84.3	Confident	83.4	Confident	160 Å²	160	48.9 Å²	48.9	60%	0.604	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	96.4	166.2	-70.6	-177.4	171.6	178.8	-6.7	109.7	K475 E487	R336-K475 CarbonylContact C-O 3.41Å; R336-K475 VanDerWaalsContact CA-O 3.22Å; R336-K475 WeakPolarHBondContact CA-O 3.48Å; R336-K475 HydrophobicContact CG-CB 4.47Å; R336-E487 IonicContact CZ-OE1 2.87Å; R336-E487 VanDerWaalsContact CZ-OE1 3.27Å; R336-E487 IonicContact NE-OE1 3.11Å; R336-E487 IonicContact NH2-OE1 2.79Å; R336-E487 PolarHBondContact NH2-OE1 3.34Å; R336-E487 IonicContact NH2-OE2 3.06Å
337	A	76.1	Confident	83.2	Confident	17 Å²	17	49.3 Å²	49.3	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.6	-179.3	0	0	0	0	0	111.3	L339 K475 I476 K477	A337-L339 HydrophobicContact CB-CG 4.34Å; A337-K475 PolarHBondContact N-O 2.72Å; A337-I476 WeakPolarHBondContact O-CA 3.13Å; A337-K477 PolarHBondContact O-N 3.34Å
338	N	73.4	Confident	83.1	Confident	92 Å²	92	49.2 Å²	49.2	49%	0.492	25%	0.248	S	C	.	.			trans	-109	83.6	176.7	-146.5	23.6	0	0	0	108.3	F340	N338-F340 PolarHBondContact O-N 2.71Å; N338-F340 VanDerWaalsContact OD1-CD2 3.24Å; N338-F340 WeakPolarHBondContact OD1-CD2 3.35Å
339	L	65.6	Low	83.1	Confident	11 Å²	11	49.2 Å²	49.2	6%	0.058	25%	0.248	C	C	.	.			trans	-80.7	8.4	-171.8	-70	166.7	0	0	0	114.1	A337 T341 L345 L391 K393 I476 P490	A337-L339 HydrophobicContact CB-CG 4.34Å; L339-T341 VanDerWaalsContact C-N 3.32Å; L339-T341 PolarHBondContact O-N 2.94Å; L339-T341 VanDerWaalsContact O-N 3.08Å; L339-L345 HydrophobicContact CD2-CB 3.6Å; L339-L345 HydrophobicContact CD2-CD2 4.33Å; L339-L391 HydrophobicContact CD2-CB 4.27Å; L339-K393 HydrophobicContact CD1-CB 4.46Å; L339-I476 HydrophobicContact CD1-CD1 3.87Å; L339-I476 HydrophobicContact CD1-CG1 3.99Å; L339-P490 HydrophobicContact CD1-CB 4.2Å
340	F	54.7	Low	83.1	Confident	75 Å²	75	52.7 Å²	52.7	33%	0.329	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	13.6	-155.4	-63.5	-84.9	0	0	0	117.5	N338 I476 K477 T479	N338-F340 PolarHBondContact O-N 2.71Å; N338-F340 VanDerWaalsContact OD1-CD2 3.24Å; N338-F340 WeakPolarHBondContact OD1-CD2 3.35Å; F340-I476 HydrophobicContact CE2-CG2 3.6Å; F340-I476 HydrophobicContact CZ-CG2 3.45Å; F340-I476 VanDerWaalsContact CZ-CG2 3.45Å; F340-K477 WeakPolarHBondContact CE2-O 3.47Å; F340-K477 WeakPolarHBondContact CZ-O 3.41Å; F340-T479 HydrophobicContact CB-CG2 4.11Å; F340-T479 HydrophobicContact CD1-CG2 3.68Å; F340-T479 WeakPolarHBondContact CD1-OG1 3.49Å; F340-T479 HydrophobicContact CD2-CG2 3.47Å; F340-T479 VanDerWaalsContact CD2-CG2 3.47Å; F340-T479 HydrophobicContact CE1-CG2 3.91Å; F340-T479 WeakPolarHBondContact CE1-OG1 3.17Å; F340-T479 HydrophobicContact CE2-CG2 3.73Å; F340-T479 HydrophobicContact CG-CG2 3.44Å; F340-T479 VanDerWaalsContact CG-CG2 3.44Å; F340-T479 HydrophobicContact CZ-CG2 3.91Å
341	T	55.7	Low	83.1	Confident	115 Å²	115	51.5 Å²	51.5	71%	0.706	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-26.6	173.9	49.8	0	0	0	0	114	L339	L339-T341 VanDerWaalsContact C-N 3.32Å; L339-T341 PolarHBondContact O-N 2.94Å; L339-T341 VanDerWaalsContact O-N 3.08Å
342	N	59.7	Low	83	Confident	62 Å²	62	47 Å²	47	33%	0.332	24%	0.237	S	C	.	.	S	Bend	trans	-121.5	154.5	179.4	-66.8	-15.6	0	0	0	110.3	Y344	N342-Y344 WeakPolarHBondContact CB-O 3.32Å; N342-Y344 PolarHBondContact O-N 2.91Å
343	S	74	Confident	83	Confident	56 Å²	56	47.4 Å²	47.4	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	-59.4	-30.2	172.6	41	0	0	0	0	112	Q397	S343-Q397 PolarHBondContact O-OE1 2.93Å
344	Y	85.1	Confident	83	Confident	25 Å²	25	46.4 Å²	46.4	10%	0.098	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.4	178.3	61.6	-95.2	0	0	0	112.6	P259 N342 R346 E390 L391	P259-Y344 HydrophobicContact CB-CE1 3.85Å; P259-Y344 HydrophobicContact CB-CE2 3.75Å; P259-Y344 WeakPolarHBondContact CB-OH 3.38Å; P259-Y344 VanDerWaalsContact CD-OH 3.23Å; P259-Y344 WeakPolarHBondContact CD-OH 3.23Å; P259-Y344 HydrophobicContact CG-CE1 3.56Å; P259-Y344 HydrophobicContact CG-CE2 4.33Å; P259-Y344 VanDerWaalsContact CG-CZ 3.47Å; P259-Y344 WeakPolarHBondContact CG-OH 3.47Å; N342-Y344 WeakPolarHBondContact CB-O 3.32Å; N342-Y344 PolarHBondContact O-N 2.91Å; Y344-R346 HydrophobicContact CD2-CB 4.05Å; Y344-R346 HydrophobicContact CE2-CB 4.06Å; Y344-E390 HydrophobicContact CD2-CG 3.94Å; Y344-E390 HydrophobicContact CG-CG 4.07Å; Y344-L391 CarbonylContact C-O 3.55Å; Y344-L391 VanDerWaalsContact CA-O 3.27Å; Y344-L391 WeakPolarHBondContact CA-O 3.43Å
345	L	87.8	Confident	82.8	Confident	50 Å²	50	46 Å²	46	26%	0.262	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.6	167.3	170	63.3	0	0	0	108.3	Y262 L339 L347 E390 L391	Y262-L345 HydrophobicContact CD2-CD1 3.46Å; Y262-L345 VanDerWaalsContact CD2-CD1 3.46Å; Y262-L345 HydrophobicContact CE2-CD1 3.69Å; Y262-L345 HydrophobicContact CG-CD1 4.36Å; L339-L345 HydrophobicContact CD2-CB 3.6Å; L339-L345 HydrophobicContact CD2-CD2 4.33Å; L345-L347 HydrophobicContact CD1-CD2 3.93Å; L345-L347 HydrophobicContact CD2-CD2 4.23Å; L345-L347 HydrophobicContact CG-CD2 3.98Å; L345-L347 HydrophobicContact CG-CG 4.39Å; L345-E390 CarbonylContact O-C 3.55Å; L345-E390 WeakPolarHBondContact O-CA 3.41Å; L345-L391 HydrophobicContact CB-CB 4.36Å; L345-L391 HydrophobicContact CD2-CD1 4.23Å; L345-L391 PolarHBondContact N-O 3.07Å; L345-L391 PolarHBondContact O-N 2.85Å
346	R	90.6	Very high	82.6	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.9	177.6	-159.9	176.4	-56.9	164.8	-14.7	110.7	N261 Y262 Y344 L388 L389 E390 L405 E408	N261-R346 VanDerWaalsContact OD1-CD 3.24Å; N261-R346 WeakPolarHBondContact OD1-CD 3.23Å; Y262-R346 PolarHBondContact N-O 2.75Å; Y344-R346 HydrophobicContact CD2-CB 4.05Å; Y344-R346 HydrophobicContact CE2-CB 4.06Å; R346-L388 HydrophobicContact CG-CB 4.44Å; R346-L388 HydrophobicContact CG-CD2 4.22Å; R346-L389 CarbonylContact C-O 3.59Å; R346-L389 WeakPolarHBondContact CA-O 3.36Å; R346-E390 HydrophobicContact CG-CB 4.28Å; R346-E390 IonicContact CZ-OE2 2.58Å; R346-E390 IonicContact NE-OE2 3.66Å; R346-E390 PolarHBondContact NE-OE2 3.27Å; R346-E390 IonicContact NH2-OE2 3.29Å; R346-E390 PolarHBondContact NH2-OE2 2.99Å; R346-L405 VanDerWaalsContact CZ-CD2 3.49Å; R346-E408 IonicContact CZ-OE2 3.83Å; R346-E408 IonicContact NH1-OE2 2.76Å; R346-E408 PolarHBondContact NH1-OE2 3.04Å; R346-E408 IonicContact NH2-OE2 3.61Å
347	L	93.5	Very high	81.7	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	140	178.5	-54.9	179.6	0	0	0	109.3	Y262 V264 F328 Y331 L345 L388 L389	Y262-L347 CarbonylContact O-C 3.57Å; Y262-L347 WeakPolarHBondContact O-CA 3.34Å; V264-L347 HydrophobicContact CG1-CB 4.2Å; V264-L347 HydrophobicContact CG1-CD1 4.45Å; V264-L347 HydrophobicContact CG1-CD2 3.91Å; V264-L347 HydrophobicContact CG1-CG 4.41Å; V264-L347 HydrophobicContact CG2-CB 4.14Å; F328-L347 HydrophobicContact CD1-CB 4.44Å; F328-L347 HydrophobicContact CD1-CD1 4.39Å; F328-L347 HydrophobicContact CE1-CB 3.75Å; F328-L347 HydrophobicContact CE1-CD1 4.47Å; Y331-L347 HydrophobicContact CD1-CD1 4.24Å; Y331-L347 HydrophobicContact CE1-CD1 4.08Å; L345-L347 HydrophobicContact CD1-CD2 3.93Å; L345-L347 HydrophobicContact CD2-CD2 4.23Å; L345-L347 HydrophobicContact CG-CD2 3.98Å; L345-L347 HydrophobicContact CG-CG 4.39Å; L347-L388 CarbonylContact O-C 3.54Å; L347-L388 WeakPolarHBondContact O-CA 3.43Å; L347-L389 PolarHBondContact N-O 3.37Å; L347-L389 PolarHBondContact O-N 2.96Å
348	V	95.3	Very high	80.9	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.4	179.1	-171.9	0	0	0	0	109.1	W250 L251 N261 Y262 P263 V264 I386 S387 L388	W250-V348 HydrophobicContact CB-CG1 4.45Å; L251-V348 HydrophobicContact CD2-CB 4.11Å; L251-V348 HydrophobicContact CD2-CG1 4.42Å; L251-V348 HydrophobicContact CD2-CG2 4.13Å; N261-V348 HydrophobicContact CB-CG2 3.73Å; Y262-V348 PolarHBondContact O-N 2.87Å; P263-V348 CarbonylContact C-O 3.5Å; P263-V348 WeakPolarHBondContact CA-O 3.43Å; V264-V348 WeakPolarHBondContact CG2-O 3.49Å; V264-V348 PolarHBondContact N-O 3.26Å; V348-I386 HydrophobicContact CG1-CG2 4.17Å; V348-S387 WeakPolarHBondContact CA-O 3.38Å; V348-L388 HydrophobicContact CB-CG 4.48Å; V348-L388 HydrophobicContact CG1-CG 4.29Å; V348-L388 HydrophobicContact CG2-CD2 3.95Å; V348-L388 HydrophobicContact CG2-CG 4Å
349	S	96.6	Very high	79.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.4	173.1	-175	0	0	0	0	109.9	S322 F328 I386 S387	S322-S349 PolarHBondContact O-OG 2.89Å; F328-S349 VanDerWaalsContact CZ-CB 3.49Å; S349-I386 WeakPolarHBondContact O-CA 3.26Å; S349-S387 PolarHBondContact N-O 3.02Å; S349-S387 PolarHBondContact O-N 3.1Å
350	K	95.9	Very high	78.3	Confident	75 Å²	75	49 Å²	49	33%	0.326	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.7	168.1	168.5	-174.6	163.2	179.4	0	107.3	M243 N244 N247 I386	M243-K350 HydrophobicContact CG-CD 4.16Å; M243-K350 HydrophobicContact CG-CG 4.08Å; M243-K350 HydrophobicContact SD-CD 4.39Å; M243-K350 HydrophobicContact SD-CG 4.01Å; N244-K350 PolarHBondContact OD1-NZ 3.46Å; N247-K350 HydrophobicContact CB-CD 3.94Å; K350-I386 HydrophobicContact CB-CG1 4.25Å; K350-I386 HydrophobicContact CG-CG1 4.33Å
351	G	95.7	Very high	77	Confident	8 Å²	8	51.5 Å²	51.5	8%	0.082	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	-156.9	-170.2	0	0	0	0	0	114	S322 K384 Q385	S322-G351 VanDerWaalsContact OG-CA 3.29Å; S322-G351 WeakPolarHBondContact OG-CA 3.36Å; G351-K384 WeakPolarHBondContact O-CA 3.5Å; G351-Q385 PolarHBondContact N-O 3.11Å; G351-Q385 PolarHBondContact O-N 2.87Å
352	S	94.5	Very high	75.6	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	161.9	175.1	-80	0	0	0	0	111.6	G321 S322 A323 Q382 S383 K384	G321-S352 CarbonylContact C-O 3.6Å; G321-S352 WeakPolarHBondContact CA-O 3.26Å; S322-S352 PolarHBondContact N-O 3.36Å; S322-S352 VanDerWaalsContact N-O 3.09Å; S322-S352 PolarHBondContact OG-N 2.85Å; A323-S352 PolarHBondContact N-O 3.23Å; S352-Q382 PolarHBondContact OG-NE2 3.5Å; S352-S383 CarbonylContact C-O 3.58Å; S352-S383 WeakPolarHBondContact CA-O 3.32Å; S352-K384 PolarHBondContact OG-NZ 3.27Å
353	V	94.2	Very high	73.9	Confident	19 Å²	19	54.4 Å²	54.4	12%	0.115	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141	163.8	177.7	0	0	0	0	107.8	A323 I355 Q382 S383 Q385	A323-V353 HydrophobicContact CB-CG2 4.12Å; V353-I355 HydrophobicContact CG1-CD1 4.46Å; V353-I355 HydrophobicContact CG1-CG1 4.1Å; V353-Q382 WeakPolarHBondContact O-CA 3.28Å; V353-S383 PolarHBondContact N-O 3.35Å; V353-S383 PolarHBondContact O-N 3.5Å; V353-Q385 HydrophobicContact CG2-CB 4Å; V353-Q385 HydrophobicContact CG2-CG 4.32Å
354	Y	91.7	Very high	71.7	Confident	31 Å²	31	59.4 Å²	59.4	12%	0.122	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.5	178.8	-57.4	-94.2	0	0	0	109.8	D268 L319 V320 F380 H381 Q382	D268-Y354 HydrophobicContact CB-CE2 4.01Å; L319-Y354 HydrophobicContact CD1-CD2 3.78Å; L319-Y354 HydrophobicContact CD1-CE1 4.49Å; L319-Y354 HydrophobicContact CD1-CE2 3.72Å; L319-Y354 HydrophobicContact CD1-CG 4.22Å; L319-Y354 HydrophobicContact CD2-CD1 3.69Å; L319-Y354 HydrophobicContact CD2-CD2 4.2Å; L319-Y354 HydrophobicContact CD2-CE1 4.04Å; L319-Y354 HydrophobicContact CD2-CG 3.76Å; L319-Y354 HydrophobicContact CG-CD1 4.1Å; L319-Y354 HydrophobicContact CG-CD2 3.67Å; L319-Y354 HydrophobicContact CG-CE1 4.48Å; L319-Y354 HydrophobicContact CG-CE2 4.11Å; L319-Y354 HydrophobicContact CG-CG 3.67Å; V320-Y354 PolarHBondContact O-N 3.04Å; Y354-F380 HydrophobicContact CD1-CD2 4.02Å; Y354-F380 AromaticContact CD1-CE2 3.95Å; Y354-F380 HydrophobicContact CD1-CE2 3.95Å; Y354-F380 HydrophobicContact CE1-CE2 4.36Å; Y354-H381 WeakPolarHBondContact CA-O 3.49Å; Y354-Q382 HydrophobicContact CD1-CB 3.89Å; Y354-Q382 HydrophobicContact CD1-CG 3.97Å; Y354-Q382 HydrophobicContact CE1-CB 3.84Å; Y354-Q382 VanDerWaalsContact CE1-CD 3.48Å; Y354-Q382 HydrophobicContact CE1-CG 3.53Å; Y354-Q382 PolarHBondContact OH-NE2 2.96Å
355	I	87.4	Confident	68.8	Low	89 Å²	89	66.6 Å²	66.6	46%	0.456	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.5	-176.7	-56.8	177.6	0	0	0	108.3	V353 F380 H381	V353-I355 HydrophobicContact CG1-CD1 4.46Å; V353-I355 HydrophobicContact CG1-CG1 4.1Å; I355-F380 CarbonylContact O-C 3.42Å; I355-F380 VanDerWaalsContact O-CA 3.24Å; I355-F380 WeakPolarHBondContact O-CA 3.48Å; I355-F380 VanDerWaalsContact O-CB 3.25Å; I355-F380 WeakPolarHBondContact O-CB 3.44Å; I355-H381 PolarHBondContact N-O 3.35Å; I355-H381 PolarHBondContact O-N 2.86Å
356	N	82.3	Confident	65.9	Low	34 Å²	34	69.2 Å²	69.2	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.4	177.1	-168.1	-13.3	0	0	0	110.4	S285 I287 N358 P379	S285-N356 VanDerWaalsContact O-CB 3.24Å; S285-N356 WeakPolarHBondContact O-CB 3.14Å; I287-N356 HydrophobicContact CG1-CB 4.17Å; N356-N358 PolarHBondContact O-N 3.47Å; N356-N358 PolarHBondContact OD1-N 3.39Å; N356-P379 PolarHBondContact OD1-O 3Å; N356-P379 VanDerWaalsContact OD1-O 3.12Å
357	D	67	Low	62.9	Low	7 Å²	7	74 Å²	74	4%	0.037	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-69.9	-19.2	-177	-79.5	16	0	0	0	112.7	E359 N360 S378 H381	D357-E359 PolarHBondContact O-N 2.91Å; D357-N360 PolarHBondContact O-N 3.27Å; D357-S378 VanDerWaalsContact OD2-O 3.06Å; D357-H381 VanDerWaalsContact CG-CE1 3.47Å; D357-H381 IonicContact OD1-CD2 3.28Å; D357-H381 PolarHBondContact OD1-CD2 3.13Å; D357-H381 IonicContact OD1-CE1 3.99Å; D357-H381 PolarHBondContact OD1-CE1 2.92Å; D357-H381 VanDerWaalsContact OD1-CE1 3.27Å; D357-H381 IonicContact OD1-CG 3.07Å; D357-H381 PolarHBondContact OD1-N 3.37Å; D357-H381 IonicContact OD1-ND1 2.94Å; D357-H381 PolarHBondContact OD1-ND1 2.92Å; D357-H381 IonicContact OD1-NE2 3.65Å; D357-H381 PolarHBondContact OD1-NE2 3.2Å; D357-H381 IonicContact OD2-CD2 2.67Å; D357-H381 IonicContact OD2-CE1 2.99Å; D357-H381 PolarHBondContact OD2-CE1 3.35Å; D357-H381 IonicContact OD2-ND1 3.78Å; D357-H381 IonicContact OD2-NE2 3.68Å; D357-H381 PolarHBondContact OD2-NE2 3.39Å
358	N	57.9	Low	59.8	Low	137 Å²	137	80.4 Å²	80.4	73%	0.733	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-65.1	-10.6	-175.1	-70.8	-14.3	0	0	0	114.8	N356	N356-N358 PolarHBondContact O-N 3.47Å; N356-N358 PolarHBondContact OD1-N 3.39Å
359	E	46.7	Very low	56.7	Low	120 Å²	120	88.3 Å²	88.3	56%	0.561	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-100	-12.1	177.6	-78.3	-165.5	152.2	0	0	115	S285 D357	S285-E359 WeakPolarHBondContact CB-OE1 3.36Å; S285-E359 WeakPolarHBondContact CB-OE2 3.48Å; D357-E359 PolarHBondContact O-N 2.91Å
360	N	38.1	Very low	53.4	Low	113 Å²	113	96.6 Å²	96.6	60%	0.604	52%	0.523	S	S	*	.			trans	-97.4	7.6	-173.4	-80.7	-15.8	0	0	0	115.8	D357 V362	D357-N360 PolarHBondContact O-N 3.27Å; N360-V362 PolarHBondContact O-N 3.5Å
361	D	28.2	Very low	50.5	Low	127 Å²	127	99.5 Å²	99.5	68%	0.679	55%	0.547	S	S	*	.			trans	-81.5	43.5	175.2	-80.1	-16.8	0	0	0	113	K377	D361-K377 VanDerWaalsContact CG-NZ 3.3Å; D361-K377 IonicContact OD1-NZ 2.84Å; D361-K377 PolarHBondContact OD1-NZ 3.29Å; D361-K377 IonicContact OD2-NZ 3.71Å; D361-K377 PolarHBondContact OD2-NZ 2.92Å
362	V	26.2	Very low	47.5	Very low	117 Å²	117	107.3 Å²	107.3	71%	0.709	59%	0.585	S	S	*	*	S	Bend	trans	-121.3	104.9	161.9	-174.7	0	0	0	0	107.5	N360	N360-V362 PolarHBondContact O-N 3.5Å
363	T	24.2	Very low	44.8	Very low	120 Å²	120	115.3 Å²	115.3	74%	0.736	62%	0.622	S	S	*	*	S	Bend	trans	79.1	69.9	168	63.5	0	0	0	0	119
364	H	26.9	Very low	42.1	Very low	162 Å²	162	119.2 Å²	119.2	75%	0.75	65%	0.648	S	S	*	*			trans	-144.8	86.9	132	-93	-62.4	0	0	0	109.3	S366	H364-S366 PolarHBondContact O-N 3.22Å
365	N	23.5	Very low	40	Very low	175 Å²	175	123 Å²	123	94%	0.936	68%	0.679	S	S	*	*			trans	-66.8	87.9	155.9	-78.9	-11.8	0	0	0	107.1
366	S	27.9	Very low	38.4	Very low	105 Å²	105	125.5 Å²	125.5	73%	0.734	69%	0.687	S	S	*	*			trans	-84.1	110.3	157.5	58.2	0	0	0	0	107.5	H364	H364-S366 PolarHBondContact O-N 3.22Å
367	S	27.3	Very low	37.3	Very low	105 Å²	105	129.8 Å²	129.8	73%	0.734	70%	0.704	S	S	*	*			trans	-45.3	134.2	168.7	48.3	0	0	0	0	112.9
368	D	27.5	Very low	37.2	Very low	141 Å²	141	130 Å²	130	75%	0.754	71%	0.705	S	S	*	*			trans	19.8	102.7	146.2	-60.3	-36.6	0	0	0	117.4
369	D	30.4	Very low	38	Very low	168 Å²	168	127.1 Å²	127.1	90%	0.898	70%	0.695	S	S	*	*				-144.9	122.1	129.9	-109.6	-24.4	0	0	0	110.7	T371	D369-T371 PolarHBondContact O-N 3.14Å
370	Q	28.5	Very low	39.6	Very low	175 Å²	175	123.7 Å²	123.7	82%	0.818	68%	0.678	S	S	*	*			trans	-84.2	102.8	-174.3	-67.1	174.9	-1.3	0	0	110.2
371	T	34.2	Very low	41.8	Very low	136 Å²	136	121.2 Å²	121.2	83%	0.834	66%	0.663	S	S	*	*			trans	-135.6	113.9	146.7	42	0	0	0	0	109.1	D369 Q373	D369-T371 PolarHBondContact O-N 3.14Å; T371-Q373 PolarHBondContact O-N 3.31Å
372	I	34	Very low	44.7	Very low	172 Å²	172	119.5 Å²	119.5	88%	0.882	65%	0.65	S	S	*	*			trans	-69.2	90.3	-176.7	-58.5	165.4	0	0	0	108.7
373	Q	35.7	Very low	47.8	Very low	168 Å²	168	114.4 Å²	114.4	79%	0.785	62%	0.62	S	S	*	*			trans	-112.4	138.2	145	-78.4	-162	-12.6	0	0	107.2	T371 S375	T371-Q373 PolarHBondContact O-N 3.31Å; Q373-S375 VanDerWaalsContact C-N 3.26Å; Q373-S375 PolarHBondContact O-N 3.28Å
374	P	37.8	Very low	51.2	Low	101 Å²	101	111.6 Å²	111.6	66%	0.656	60%	0.598	S	S	*	*			trans	-64.4	96	170.8	27	-29.4	0	0	0	107	F376	P374-F376 VanDerWaalsContact C-N 3.34Å; P374-F376 HydrophobicContact CG-CE2 4.31Å; P374-F376 WeakPolarHBondContact O-CD2 3.41Å; P374-F376 PolarHBondContact O-N 3.41Å
375	S	47.6	Very low	54.5	Low	112 Å²	112	104.6 Å²	104.6	78%	0.783	57%	0.565	S	S	*	*			trans	-69	97.8	174.6	61	0	0	0	0	106.8	Q373 K377	Q373-S375 VanDerWaalsContact C-N 3.26Å; Q373-S375 PolarHBondContact O-N 3.28Å; S375-K377 PolarHBondContact O-N 2.76Å
376	F	54.3	Low	58	Low	141 Å²	141	96.2 Å²	96.2	62%	0.618	52%	0.521	S	S	*	.			trans	-60.6	110.4	172.2	-73.3	-83.3	0	0	0	108.1	V226 P374 S378	V226-F376 HydrophobicContact CG2-CB 4Å; V226-F376 HydrophobicContact CG2-CD1 3.85Å; V226-F376 HydrophobicContact CG2-CD2 4.33Å; V226-F376 HydrophobicContact CG2-CE1 4.41Å; V226-F376 HydrophobicContact CG2-CG 3.8Å; P374-F376 VanDerWaalsContact C-N 3.34Å; P374-F376 HydrophobicContact CG-CE2 4.31Å; P374-F376 WeakPolarHBondContact O-CD2 3.41Å; P374-F376 PolarHBondContact O-N 3.41Å; F376-S378 PolarHBondContact O-N 2.94Å
377	K	59.1	Low	61.3	Low	124 Å²	124	91.2 Å²	91.2	54%	0.539	49%	0.486	S	S	.	.			trans	-78.5	117.2	173.4	-161.6	174.2	-178.1	179.3	0	106.8	D361 S375	D361-K377 VanDerWaalsContact CG-NZ 3.3Å; D361-K377 IonicContact OD1-NZ 2.84Å; D361-K377 PolarHBondContact OD1-NZ 3.29Å; D361-K377 IonicContact OD2-NZ 3.71Å; D361-K377 PolarHBondContact OD2-NZ 2.92Å; S375-K377 PolarHBondContact O-N 2.76Å
378	S	65.5	Low	64.6	Low	10 Å²	10	86.2 Å²	86.2	7%	0.07	45%	0.451	C	S	.	.			trans	-59.1	144.1	177.2	-169	0	0	0	0	109.5	V226 G228 D357 F376 F380	V226-S378 PolarHBondContact O-OG 3.34Å; G228-S378 WeakPolarHBondContact CA-OG 3.43Å; G228-S378 PolarHBondContact N-OG 3.07Å; D357-S378 VanDerWaalsContact OD2-O 3.06Å; F376-S378 PolarHBondContact O-N 2.94Å; S378-F380 WeakPolarHBondContact CB-O 3.17Å; S378-F380 PolarHBondContact O-N 2.98Å; S378-F380 PolarHBondContact OG-O 2.92Å; S378-F380 VanDerWaalsContact OG-O 3.06Å
379	P	73.9	Confident	67.9	Low	78 Å²	78	79.6 Å²	79.6	51%	0.506	42%	0.415	S	S	.	.	S	Bend	trans	-67.4	-14.4	178.1	25.6	-33.4	0	0	0	113.1	V226 N356	V226-P379 WeakPolarHBondContact O-CD 3.23Å; N356-P379 PolarHBondContact OD1-O 3Å; N356-P379 VanDerWaalsContact OD1-O 3.12Å
380	F	80.8	Confident	70.9	Confident	48 Å²	48	71.6 Å²	71.6	21%	0.211	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	159.6	177.2	58.9	-92.7	0	0	0	111.5	I287 Y354 I355 S378	I287-F380 HydrophobicContact CD1-CB 3.42Å; I287-F380 VanDerWaalsContact CD1-CB 3.42Å; I287-F380 HydrophobicContact CD1-CD1 4.35Å; I287-F380 HydrophobicContact CD1-CD2 4.33Å; I287-F380 HydrophobicContact CD1-CG 3.8Å; I287-F380 HydrophobicContact CG1-CB 4.28Å; Y354-F380 HydrophobicContact CD1-CD2 4.02Å; Y354-F380 AromaticContact CD1-CE2 3.95Å; Y354-F380 HydrophobicContact CD1-CE2 3.95Å; Y354-F380 HydrophobicContact CE1-CE2 4.36Å; I355-F380 CarbonylContact O-C 3.42Å; I355-F380 VanDerWaalsContact O-CA 3.24Å; I355-F380 WeakPolarHBondContact O-CA 3.48Å; I355-F380 VanDerWaalsContact O-CB 3.25Å; I355-F380 WeakPolarHBondContact O-CB 3.44Å; S378-F380 WeakPolarHBondContact CB-O 3.17Å; S378-F380 PolarHBondContact O-N 2.98Å; S378-F380 PolarHBondContact OG-O 2.92Å; S378-F380 VanDerWaalsContact OG-O 3.06Å
381	H	84.6	Confident	74	Confident	61 Å²	61	63.3 Å²	63.3	28%	0.282	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.9	169.2	-68.4	-28.4	0	0	0	111.2	Y354 I355 D357	Y354-H381 WeakPolarHBondContact CA-O 3.49Å; I355-H381 PolarHBondContact N-O 3.35Å; I355-H381 PolarHBondContact O-N 2.86Å; D357-H381 VanDerWaalsContact CG-CE1 3.47Å; D357-H381 IonicContact OD1-CD2 3.28Å; D357-H381 PolarHBondContact OD1-CD2 3.13Å; D357-H381 IonicContact OD1-CE1 3.99Å; D357-H381 PolarHBondContact OD1-CE1 2.92Å; D357-H381 VanDerWaalsContact OD1-CE1 3.27Å; D357-H381 IonicContact OD1-CG 3.07Å; D357-H381 PolarHBondContact OD1-N 3.37Å; D357-H381 IonicContact OD1-ND1 2.94Å; D357-H381 PolarHBondContact OD1-ND1 2.92Å; D357-H381 IonicContact OD1-NE2 3.65Å; D357-H381 PolarHBondContact OD1-NE2 3.2Å; D357-H381 IonicContact OD2-CD2 2.67Å; D357-H381 IonicContact OD2-CE1 2.99Å; D357-H381 PolarHBondContact OD2-CE1 3.35Å; D357-H381 IonicContact OD2-ND1 3.78Å; D357-H381 IonicContact OD2-NE2 3.68Å; D357-H381 PolarHBondContact OD2-NE2 3.39Å
382	Q	89.2	Confident	76.7	Confident	90 Å²	90	57 Å²	57	42%	0.421	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.8	167.1	-178.6	-180	1.9	0	0	109	S352 V353 Y354	S352-Q382 PolarHBondContact OG-NE2 3.5Å; V353-Q382 WeakPolarHBondContact O-CA 3.28Å; Y354-Q382 HydrophobicContact CD1-CB 3.89Å; Y354-Q382 HydrophobicContact CD1-CG 3.97Å; Y354-Q382 HydrophobicContact CE1-CB 3.84Å; Y354-Q382 VanDerWaalsContact CE1-CD 3.48Å; Y354-Q382 HydrophobicContact CE1-CG 3.53Å; Y354-Q382 PolarHBondContact OH-NE2 2.96Å
383	S	90.8	Very high	79.2	Confident	11 Å²	11	53.1 Å²	53.1	8%	0.077	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.9	172.3	-174.1	0	0	0	0	110.9	S352 V353 N499 R501	S352-S383 CarbonylContact C-O 3.58Å; S352-S383 WeakPolarHBondContact CA-O 3.32Å; V353-S383 PolarHBondContact N-O 3.35Å; V353-S383 PolarHBondContact O-N 3.5Å; S383-N499 PolarHBondContact OG-ND2 2.87Å; S383-N499 PolarHBondContact OG-OD1 3.45Å; S383-R501 VanDerWaalsContact OG-CB 3.23Å; S383-R501 WeakPolarHBondContact OG-CB 3.33Å; S383-R501 PolarHBondContact OG-N 3.48Å; S383-R501 VanDerWaalsContact OG-N 3.12Å
384	K	95	Very high	81.6	Confident	61 Å²	61	47.1 Å²	47.1	27%	0.265	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.8	169.2	-66.9	-63.3	176.1	-167.8	0	110	E239 M243 G351 S352 W498 N499 F500	E239-K384 HydrophobicContact CG-CB 4.48Å; E239-K384 HydrophobicContact CG-CG 4.23Å; E239-K384 VanDerWaalsContact OE1-CG 3.24Å; E239-K384 WeakPolarHBondContact OE1-CG 3.5Å; M243-K384 HydrophobicContact CE-CD 4.36Å; M243-K384 HydrophobicContact CE-CG 4.48Å; M243-K384 HydrophobicContact SD-CB 3.83Å; M243-K384 HydrophobicContact SD-CD 3.92Å; M243-K384 HydrophobicContact SD-CG 4.01Å; G351-K384 WeakPolarHBondContact O-CA 3.5Å; S352-K384 PolarHBondContact OG-NZ 3.27Å; K384-W498 HydrophobicContact CB-CZ3 4.42Å; K384-N499 WeakPolarHBondContact O-CA 3.48Å; K384-F500 HydrophobicContact CB-CB 4.33Å; K384-F500 PolarHBondContact O-N 3.33Å
385	Q	96.3	Very high	84.2	Confident	14 Å²	14	45.4 Å²	45.4	7%	0.065	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.9	-174.1	-177.9	169.3	-62.4	0	0	111.4	A323 G351 V353 S387 N496 W498 N499	A323-Q385 HydrophobicContact CB-CB 3.86Å; A323-Q385 HydrophobicContact CB-CG 4.12Å; A323-Q385 WeakPolarHBondContact CB-O 3.43Å; A323-Q385 PolarHBondContact O-NE2 3.49Å; G351-Q385 PolarHBondContact N-O 3.11Å; G351-Q385 PolarHBondContact O-N 2.87Å; V353-Q385 HydrophobicContact CG2-CB 4Å; V353-Q385 HydrophobicContact CG2-CG 4.32Å; Q385-S387 WeakPolarHBondContact CG-OG 3.48Å; Q385-S387 PolarHBondContact NE2-OG 3.24Å; Q385-N496 VanDerWaalsContact CD-OD1 3.27Å; Q385-N496 VanDerWaalsContact CG-OD1 3.31Å; Q385-N496 WeakPolarHBondContact CG-OD1 3.42Å; Q385-N496 PolarHBondContact OE1-ND2 2.86Å; Q385-W498 VanDerWaalsContact CA-O 3.31Å; Q385-W498 WeakPolarHBondContact CA-O 3.47Å; Q385-W498 WeakPolarHBondContact CG-O 3.41Å; Q385-N499 HydrophobicContact CG-CB 4.43Å; Q385-N499 PolarHBondContact OE1-ND2 2.8Å
386	I	97.1	Very high	86.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.2	167.5	-66.7	165.1	0	0	0	108.1	M243 V246 N247 V348 S349 K350 L388 A497 W498	M243-I386 HydrophobicContact CG-CD1 4.29Å; M243-I386 WeakPolarHBondContact O-CD1 3.37Å; V246-I386 HydrophobicContact CB-CD1 3.65Å; V246-I386 HydrophobicContact CG1-CD1 3.53Å; N247-I386 HydrophobicContact CB-CD1 3.85Å; V348-I386 HydrophobicContact CG1-CG2 4.17Å; S349-I386 WeakPolarHBondContact O-CA 3.26Å; K350-I386 HydrophobicContact CB-CG1 4.25Å; K350-I386 HydrophobicContact CG-CG1 4.33Å; I386-L388 HydrophobicContact CG2-CD1 4.32Å; I386-A497 PolarHBondContact O-N 3Å; I386-W498 PolarHBondContact N-O 3.5Å
387	S	97.6	Very high	88	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.1	-176.5	-63.3	0	0	0	0	111.9	A323 V348 S349 Q385 M495	A323-S387 VanDerWaalsContact O-CB 3.26Å; A323-S387 WeakPolarHBondContact O-CB 3.4Å; A323-S387 PolarHBondContact O-OG 2.93Å; V348-S387 WeakPolarHBondContact CA-O 3.38Å; S349-S387 PolarHBondContact N-O 3.02Å; S349-S387 PolarHBondContact O-N 3.1Å; Q385-S387 WeakPolarHBondContact CG-OG 3.48Å; Q385-S387 PolarHBondContact NE2-OG 3.24Å; S387-M495 CarbonylContact C-O 3.6Å; S387-M495 WeakPolarHBondContact CA-O 3.19Å; S387-M495 WeakPolarHBondContact CB-O 3.49Å
388	L	96.8	Very high	89.7	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.3	179.4	-61.4	76.6	0	0	0	110	W250 R346 L347 V348 I386 F494 M495 A497	W250-L388 HydrophobicContact CD2-CD1 4.31Å; W250-L388 HydrophobicContact CD2-CD2 4.15Å; W250-L388 HydrophobicContact CE3-CD2 3.76Å; W250-L388 HydrophobicContact CG-CD1 4.41Å; W250-L388 HydrophobicContact CZ3-CD2 4.31Å; R346-L388 HydrophobicContact CG-CB 4.44Å; R346-L388 HydrophobicContact CG-CD2 4.22Å; L347-L388 CarbonylContact O-C 3.54Å; L347-L388 WeakPolarHBondContact O-CA 3.43Å; V348-L388 HydrophobicContact CB-CG 4.48Å; V348-L388 HydrophobicContact CG1-CG 4.29Å; V348-L388 HydrophobicContact CG2-CD2 3.95Å; V348-L388 HydrophobicContact CG2-CG 4Å; I386-L388 HydrophobicContact CG2-CD1 4.32Å; L388-F494 CarbonylContact O-C 3.57Å; L388-F494 WeakPolarHBondContact O-CA 3.22Å; L388-F494 WeakPolarHBondContact O-CD2 3.38Å; L388-M495 HydrophobicContact CB-CB 4.33Å; L388-M495 HydrophobicContact CB-CE 4.1Å; L388-M495 HydrophobicContact CD1-CE 3.39Å; L388-M495 HydrophobicContact CD2-CE 3.6Å; L388-M495 HydrophobicContact CG-CE 3.86Å; L388-M495 PolarHBondContact N-O 3.2Å; L388-M495 PolarHBondContact O-N 3.02Å; L388-A497 HydrophobicContact CD1-CB 3.79Å
389	L	96.5	Very high	91.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.2	168.3	-173.1	84.5	0	0	0	108.9	L325 F328 L332 R346 L347 L391 M492 V493 F494	L325-L389 HydrophobicContact CD1-CD1 4.03Å; F328-L389 HydrophobicContact CB-CD2 4.04Å; F328-L389 HydrophobicContact CD1-CB 3.59Å; F328-L389 HydrophobicContact CD1-CD2 3.97Å; F328-L389 HydrophobicContact CD1-CG 4.38Å; F328-L389 HydrophobicContact CD2-CB 4.37Å; F328-L389 HydrophobicContact CE1-CB 3.73Å; F328-L389 HydrophobicContact CE2-CB 4.5Å; F328-L389 HydrophobicContact CG-CB 3.94Å; F328-L389 HydrophobicContact CG-CD2 4.21Å; F328-L389 HydrophobicContact CZ-CB 4.18Å; L332-L389 HydrophobicContact CD1-CD2 3.45Å; L332-L389 VanDerWaalsContact CD1-CD2 3.45Å; R346-L389 CarbonylContact C-O 3.59Å; R346-L389 WeakPolarHBondContact CA-O 3.36Å; L347-L389 PolarHBondContact N-O 3.37Å; L347-L389 PolarHBondContact O-N 2.96Å; L389-L391 HydrophobicContact CD2-CD2 3.8Å; L389-L391 HydrophobicContact CD2-CG 4.23Å; L389-L391 HydrophobicContact CG-CD2 4.3Å; L389-M492 HydrophobicContact CD1-CB 4.43Å; L389-V493 WeakPolarHBondContact CA-O 3.47Å; L389-F494 HydrophobicContact CD1-CB 4.21Å; L389-F494 HydrophobicContact CD1-CD2 4.23Å
390	E	94.2	Very high	92	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.9	171.7	-170.6	172.5	108.6	0	0	110.5	Y344 L345 R346 T392 G401 L405 M492 V493	Y344-E390 HydrophobicContact CD2-CG 3.94Å; Y344-E390 HydrophobicContact CG-CG 4.07Å; L345-E390 CarbonylContact O-C 3.55Å; L345-E390 WeakPolarHBondContact O-CA 3.41Å; R346-E390 HydrophobicContact CG-CB 4.28Å; R346-E390 IonicContact CZ-OE2 2.58Å; R346-E390 IonicContact NE-OE2 3.66Å; R346-E390 PolarHBondContact NE-OE2 3.27Å; R346-E390 IonicContact NH2-OE2 3.29Å; R346-E390 PolarHBondContact NH2-OE2 2.99Å; E390-T392 HydrophobicContact CG-CG2 4.42Å; E390-G401 WeakPolarHBondContact OE1-CA 3.41Å; E390-L405 HydrophobicContact CB-CD1 4.21Å; E390-M492 WeakPolarHBondContact O-CA 3.21Å; E390-V493 HydrophobicContact CB-CB 4.28Å; E390-V493 PolarHBondContact N-O 3.5Å; E390-V493 PolarHBondContact O-N 3.06Å
391	L	93.2	Very high	92.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.1	175.1	-58.4	177.9	0	0	0	109.9	L332 L339 Y344 L345 L389 Y491 M492	L332-L391 HydrophobicContact CD1-CD1 3.86Å; L332-L391 HydrophobicContact CD1-CD2 3.93Å; L332-L391 HydrophobicContact CD1-CG 4.43Å; L332-L391 HydrophobicContact CD2-CD1 3.91Å; L339-L391 HydrophobicContact CD2-CB 4.27Å; Y344-L391 CarbonylContact C-O 3.55Å; Y344-L391 VanDerWaalsContact CA-O 3.27Å; Y344-L391 WeakPolarHBondContact CA-O 3.43Å; L345-L391 HydrophobicContact CB-CB 4.36Å; L345-L391 HydrophobicContact CD2-CD1 4.23Å; L345-L391 PolarHBondContact N-O 3.07Å; L345-L391 PolarHBondContact O-N 2.85Å; L389-L391 HydrophobicContact CD2-CD2 3.8Å; L389-L391 HydrophobicContact CD2-CG 4.23Å; L389-L391 HydrophobicContact CG-CD2 4.3Å; L391-Y491 WeakPolarHBondContact CA-O 3.48Å; L391-M492 HydrophobicContact CD2-CE 3.89Å; L391-M492 HydrophobicContact CD2-CG 3.7Å; L391-M492 HydrophobicContact CD2-SD 4.33Å
392	T	90.2	Very high	93.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161.3	177.8	51.5	0	0	0	0	111.1	E390 Q397 C398 P490 Y491	E390-T392 HydrophobicContact CG-CG2 4.42Å; T392-Q397 HydrophobicContact CG2-CB 4.02Å; T392-C398 WeakPolarHBondContact OG1-CA 3.19Å; T392-C398 VanDerWaalsContact OG1-CB 3.24Å; T392-C398 WeakPolarHBondContact OG1-CB 3.33Å; T392-P490 WeakPolarHBondContact O-CA 3.09Å; T392-Y491 PolarHBondContact N-O 3.37Å; T392-Y491 PolarHBondContact O-N 2.86Å; T392-Y491 PolarHBondContact OG1-O 2.91Å
393	K	87.3	Confident	93.5	Very high	91 Å²	91	31 Å²	31	40%	0.396	16%	0.159	S	C	.	.	S	Bend	trans	-92.8	-20.9	-177.5	68.6	-174.8	176.4	-178.1	0	114.1	L339 I476	L339-K393 HydrophobicContact CD1-CB 4.46Å; K393-I476 HydrophobicContact CB-CD1 3.93Å
394	D	86.9	Confident	93.6	Very high	43 Å²	43	33.9 Å²	33.9	23%	0.23	17%	0.172	C	C	.	.	S	Bend	trans	-136.5	154.6	-177.3	57.6	83.6	0	0	0	111.2	Q397 C398	D394-Q397 VanDerWaalsContact CG-CD 3.46Å; D394-Q397 PolarHBondContact O-N 2.77Å; D394-Q397 WeakPolarHBondContact OD1-CB 3.23Å; D394-Q397 WeakPolarHBondContact OD1-CG 3.33Å; D394-Q397 PolarHBondContact OD1-N 3.39Å; D394-Q397 PolarHBondContact OD1-NE2 2.76Å; D394-Q397 PolarHBondContact OD2-NE2 3.24Å; D394-Q397 PolarHBondContact OD2-OE1 3.48Å; D394-Q397 VanDerWaalsContact OD2-OE1 3.1Å; D394-C398 PolarHBondContact O-N 3.4Å; D394-C398 VanDerWaalsContact O-N 3.11Å
395	W	91.4	Very high	93.6	Very high	65 Å²	65	31 Å²	31	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-44.4	-176.7	173.4	-100.5	0	0	0	112	Q397 C398 E399 M437 L463 Y491	W395-Q397 VanDerWaalsContact C-N 3.32Å; W395-Q397 PolarHBondContact O-N 3.41Å; W395-C398 WeakPolarHBondContact O-CA 3.43Å; W395-C398 VanDerWaalsContact O-CB 3.22Å; W395-C398 WeakPolarHBondContact O-CB 3.07Å; W395-C398 PolarHBondContact O-N 3.4Å; W395-E399 HydrophobicContact CZ2-CB 4.46Å; W395-E399 PolarHBondContact NE1-OE2 3.47Å; W395-E399 PolarHBondContact O-N 3.43Å; W395-M437 HydrophobicContact CH2-CE 3.39Å; W395-M437 HydrophobicContact CH2-SD 3.44Å; W395-M437 WeakPolarHBondContact CH2-SD 3.29Å; W395-M437 HydrophobicContact CZ2-CE 4.18Å; W395-M437 HydrophobicContact CZ3-CE 3.87Å; W395-M437 HydrophobicContact CZ3-SD 3.5Å; W395-M437 VanDerWaalsContact CZ3-SD 3.5Å; W395-L463 HydrophobicContact CH2-CD1 4.21Å; W395-L463 HydrophobicContact CH2-CD2 3.71Å; W395-L463 HydrophobicContact CH2-CG 4.1Å; W395-L463 HydrophobicContact CZ2-CD2 4.25Å; W395-L463 HydrophobicContact CZ3-CD1 4.3Å; W395-Y491 HydrophobicContact CB-CE1 4.35Å; W395-Y491 HydrophobicContact CB-CE2 4.46Å; W395-Y491 AromaticContact CE3-CD1 3.77Å; W395-Y491 HydrophobicContact CE3-CD1 3.77Å; W395-Y491 AromaticContact CE3-CE1 3.95Å; W395-Y491 HydrophobicContact CE3-CE1 3.95Å; W395-Y491 HydrophobicContact CZ3-CD1 4.41Å
396	D	91.9	Very high	93.6	Very high	121 Å²	121	30.5 Å²	30.5	65%	0.647	16%	0.158	S	C	*	.	H	α-helix	trans	-61.8	-41.2	-176.9	-58.4	-22.6	0	0	0	111.3	A400	D396-A400 VanDerWaalsContact O-CB 3.29Å; D396-A400 WeakPolarHBondContact O-CB 3.29Å; D396-A400 PolarHBondContact O-N 3.27Å
397	Q	90	Very high	93.4	Very high	57 Å²	57	33.2 Å²	33.2	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-65.9	-36.6	172.2	-78.7	164.8	32.3	0	0	112.5	S343 T392 D394 W395 G401	S343-Q397 PolarHBondContact O-OE1 2.93Å; T392-Q397 HydrophobicContact CG2-CB 4.02Å; D394-Q397 VanDerWaalsContact CG-CD 3.46Å; D394-Q397 PolarHBondContact O-N 2.77Å; D394-Q397 WeakPolarHBondContact OD1-CB 3.23Å; D394-Q397 WeakPolarHBondContact OD1-CG 3.33Å; D394-Q397 PolarHBondContact OD1-N 3.39Å; D394-Q397 PolarHBondContact OD1-NE2 2.76Å; D394-Q397 PolarHBondContact OD2-NE2 3.24Å; D394-Q397 PolarHBondContact OD2-OE1 3.48Å; D394-Q397 VanDerWaalsContact OD2-OE1 3.1Å; W395-Q397 VanDerWaalsContact C-N 3.32Å; W395-Q397 PolarHBondContact O-N 3.41Å; Q397-G401 PolarHBondContact O-N 2.93Å
398	C	93.9	Very high	93.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-47.7	175.8	-167.4	0	0	0	0	111.9	T392 D394 W395 G401 F402 L463 Y491	T392-C398 WeakPolarHBondContact OG1-CA 3.19Å; T392-C398 VanDerWaalsContact OG1-CB 3.24Å; T392-C398 WeakPolarHBondContact OG1-CB 3.33Å; D394-C398 PolarHBondContact O-N 3.4Å; D394-C398 VanDerWaalsContact O-N 3.11Å; W395-C398 WeakPolarHBondContact O-CA 3.43Å; W395-C398 VanDerWaalsContact O-CB 3.22Å; W395-C398 WeakPolarHBondContact O-CB 3.07Å; W395-C398 PolarHBondContact O-N 3.4Å; C398-G401 PolarHBondContact O-N 3.25Å; C398-F402 PolarHBondContact O-N 3.31Å; C398-L463 VanDerWaalsContact SG-CD1 3.55Å; C398-Y491 HydrophobicContact CB-CG 4.29Å; C398-Y491 WeakPolarHBondContact SG-CB 3.37Å
399	E	95.5	Very high	93.1	Very high	54 Å²	54	33.5 Å²	33.5	25%	0.252	17%	0.172	S	C	.	.	H	α-helix	trans	-66	-43.9	179.6	-168.5	178.8	160.6	0	0	111.1	H186 W395 G401 F402 H403	H186-E399 IonicContact CE1-OE1 2.74Å; H186-E399 PolarHBondContact CE1-OE1 2.91Å; H186-E399 IonicContact NE2-OE1 2.78Å; H186-E399 PolarHBondContact NE2-OE1 3.38Å; H186-E399 VanDerWaalsContact NE2-OE1 3.16Å; H186-E399 IonicContact NE2-OE2 2.66Å; W395-E399 HydrophobicContact CZ2-CB 4.46Å; W395-E399 PolarHBondContact NE1-OE2 3.47Å; W395-E399 PolarHBondContact O-N 3.43Å; E399-G401 VanDerWaalsContact C-N 3.33Å; E399-G401 PolarHBondContact O-N 3.02Å; E399-F402 WeakPolarHBondContact O-CB 3.29Å; E399-F402 PolarHBondContact O-N 3.43Å; E399-H403 PolarHBondContact O-CD2 3.42Å; E399-H403 PolarHBondContact O-N 2.89Å; E399-H403 VanDerWaalsContact O-N 3.16Å
400	A	93.6	Very high	93	Very high	61 Å²	61	33.8 Å²	33.8	50%	0.504	17%	0.173	S	C	.	.	H	α-helix	trans	-61.2	-41.4	173	0	0	0	0	0	112.2	D396 H403 L404	D396-A400 VanDerWaalsContact O-CB 3.29Å; D396-A400 WeakPolarHBondContact O-CB 3.29Å; D396-A400 PolarHBondContact O-N 3.27Å; A400-H403 PolarHBondContact O-N 2.86Å; A400-L404 WeakPolarHBondContact O-CB 3.25Å; A400-L404 PolarHBondContact O-N 3.49Å
401	G	92.7	Very high	92.8	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-40	175.9	0	0	0	0	0	112.8	E390 Q397 C398 E399 L404 L405	E390-G401 WeakPolarHBondContact OE1-CA 3.41Å; Q397-G401 PolarHBondContact O-N 2.93Å; C398-G401 PolarHBondContact O-N 3.25Å; E399-G401 VanDerWaalsContact C-N 3.33Å; E399-G401 PolarHBondContact O-N 3.02Å; G401-L404 PolarHBondContact O-N 3.03Å; G401-L405 WeakPolarHBondContact O-CB 3.36Å; G401-L405 WeakPolarHBondContact O-CG 3.44Å; G401-L405 PolarHBondContact O-N 2.9Å
402	F	96.7	Very high	92.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-52.4	172.4	169.5	-95.2	0	0	0	111.8	C398 E399 L404 L405 V406 Y426 L438 A440 V461 L463 V493	C398-F402 PolarHBondContact O-N 3.31Å; E399-F402 WeakPolarHBondContact O-CB 3.29Å; E399-F402 PolarHBondContact O-N 3.43Å; F402-L404 VanDerWaalsContact C-N 3.31Å; F402-L404 PolarHBondContact O-N 2.95Å; F402-L405 PolarHBondContact O-N 2.82Å; F402-V406 HydrophobicContact CD1-CG2 4.36Å; F402-V406 HydrophobicContact CD2-CG2 4.39Å; F402-V406 HydrophobicContact CE1-CG2 3.94Å; F402-V406 HydrophobicContact CE2-CG2 4.01Å; F402-V406 HydrophobicContact CZ-CG2 3.77Å; F402-V406 VanDerWaalsContact O-CG2 3.29Å; F402-V406 WeakPolarHBondContact O-CG2 3.42Å; F402-V406 PolarHBondContact O-N 3.3Å; F402-Y426 HydrophobicContact CE1-CE1 4.05Å; F402-Y426 HydrophobicContact CZ-CE1 4.03Å; F402-L438 HydrophobicContact CD1-CD2 4.35Å; F402-L438 HydrophobicContact CE1-CD2 3.49Å; F402-L438 VanDerWaalsContact CE1-CD2 3.49Å; F402-L438 HydrophobicContact CE1-CG 4.18Å; F402-L438 HydrophobicContact CZ-CB 4.45Å; F402-L438 HydrophobicContact CZ-CD2 3.71Å; F402-L438 HydrophobicContact CZ-CG 3.85Å; F402-A440 HydrophobicContact CZ-CB 4.18Å; F402-V461 HydrophobicContact CD2-CB 4.46Å; F402-V461 HydrophobicContact CD2-CG1 3.75Å; F402-V461 HydrophobicContact CE2-CB 4.16Å; F402-V461 HydrophobicContact CE2-CG1 3.94Å; F402-L463 HydrophobicContact CB-CB 4.39Å; F402-L463 HydrophobicContact CB-CD1 4.14Å; F402-L463 HydrophobicContact CD2-CB 3.63Å; F402-L463 HydrophobicContact CE2-CB 4.03Å; F402-L463 HydrophobicContact CG-CB 4Å; F402-V493 HydrophobicContact CB-CG1 4.27Å; F402-V493 HydrophobicContact CB-CG2 4.02Å; F402-V493 HydrophobicContact CD2-CG1 4.16Å
403	H	95.8	Very high	92.8	Very high	63 Å²	63	40.2 Å²	40.2	29%	0.292	20%	0.197	S	C	.	.	H	α-helix	trans	-63	-38.2	179.9	-70.5	-57.5	0	0	0	112.5	E399 A400 V406 E407	E399-H403 PolarHBondContact O-CD2 3.42Å; E399-H403 PolarHBondContact O-N 2.89Å; E399-H403 VanDerWaalsContact O-N 3.16Å; A400-H403 PolarHBondContact O-N 2.86Å; H403-V406 PolarHBondContact O-N 3.05Å; H403-E407 WeakPolarHBondContact O-CG 3.38Å; H403-E407 PolarHBondContact O-N 3.35Å; H403-E407 VanDerWaalsContact O-N 3.09Å
404	L	93.4	Very high	92.9	Very high	70 Å²	70	39 Å²	39	37%	0.366	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-47.5	174.3	-178	66.2	0	0	0	111.5	A400 G401 F402 V406 E407 E408	A400-L404 WeakPolarHBondContact O-CB 3.25Å; A400-L404 PolarHBondContact O-N 3.49Å; G401-L404 PolarHBondContact O-N 3.03Å; F402-L404 VanDerWaalsContact C-N 3.31Å; F402-L404 PolarHBondContact O-N 2.95Å; L404-V406 VanDerWaalsContact C-N 3.31Å; L404-V406 PolarHBondContact O-N 3.49Å; L404-E407 WeakPolarHBondContact O-CB 3.23Å; L404-E407 PolarHBondContact O-N 2.91Å; L404-E408 HydrophobicContact CD1-CG 4.47Å; L404-E408 HydrophobicContact CG-CG 4.46Å; L404-E408 WeakPolarHBondContact O-CG 3.42Å; L404-E408 PolarHBondContact O-N 2.9Å
405	L	94.6	Very high	92.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-36	178.5	-80.9	173	0	0	0	112.6	R346 E390 G401 F402 E407 E408 L409 V461 V493 M495	R346-L405 VanDerWaalsContact CZ-CD2 3.49Å; E390-L405 HydrophobicContact CB-CD1 4.21Å; G401-L405 WeakPolarHBondContact O-CB 3.36Å; G401-L405 WeakPolarHBondContact O-CG 3.44Å; G401-L405 PolarHBondContact O-N 2.9Å; F402-L405 PolarHBondContact O-N 2.82Å; L405-E407 VanDerWaalsContact C-N 3.34Å; L405-E408 PolarHBondContact O-N 3.13Å; L405-L409 VanDerWaalsContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CB 3.12Å; L405-L409 PolarHBondContact O-N 2.99Å; L405-V461 HydrophobicContact CB-CG1 3.93Å; L405-V493 HydrophobicContact CD1-CB 4.17Å; L405-V493 HydrophobicContact CD1-CG1 3.69Å; L405-M495 HydrophobicContact CD2-CE 3.78Å; L405-M495 HydrophobicContact CD2-SD 4.21Å
406	V	96.2	Very high	92.7	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-45.1	173.4	169.2	0	0	0	0	111.2	F402 H403 L404 F410 L424 A440 V461	F402-V406 HydrophobicContact CD1-CG2 4.36Å; F402-V406 HydrophobicContact CD2-CG2 4.39Å; F402-V406 HydrophobicContact CE1-CG2 3.94Å; F402-V406 HydrophobicContact CE2-CG2 4.01Å; F402-V406 HydrophobicContact CZ-CG2 3.77Å; F402-V406 VanDerWaalsContact O-CG2 3.29Å; F402-V406 WeakPolarHBondContact O-CG2 3.42Å; F402-V406 PolarHBondContact O-N 3.3Å; H403-V406 PolarHBondContact O-N 3.05Å; L404-V406 VanDerWaalsContact C-N 3.31Å; L404-V406 PolarHBondContact O-N 3.49Å; V406-F410 PolarHBondContact O-N 2.91Å; V406-F410 VanDerWaalsContact O-N 3.15Å; V406-L424 HydrophobicContact CG1-CD2 3.34Å; V406-A440 HydrophobicContact CG1-CB 4.37Å; V406-A440 HydrophobicContact CG2-CB 3.79Å; V406-V461 HydrophobicContact CG2-CB 3.85Å; V406-V461 HydrophobicContact CG2-CG1 4.18Å; V406-V461 HydrophobicContact CG2-CG2 4Å
407	E	94.1	Very high	92.4	Very high	57 Å²	57	34.8 Å²	34.8	27%	0.266	17%	0.17	S	C	.	.	H	α-helix	trans	-65.4	-44.3	176.2	-74.5	-66.6	163.4	0	0	112.6	K201 H403 L404 L405 F410 R411	K201-E407 WeakPolarHBondContact CE-OE1 3.32Å; K201-E407 IonicContact NZ-OE1 3.34Å; K201-E407 PolarHBondContact NZ-OE1 3.09Å; K201-E407 IonicContact NZ-OE2 3.92Å; K201-E407 PolarHBondContact NZ-OE2 3.45Å; H403-E407 WeakPolarHBondContact O-CG 3.38Å; H403-E407 PolarHBondContact O-N 3.35Å; H403-E407 VanDerWaalsContact O-N 3.09Å; L404-E407 WeakPolarHBondContact O-CB 3.23Å; L404-E407 PolarHBondContact O-N 2.91Å; L405-E407 VanDerWaalsContact C-N 3.34Å; E407-F410 PolarHBondContact O-N 2.98Å; E407-R411 WeakPolarHBondContact O-CG 3.34Å; E407-R411 PolarHBondContact O-N 2.79Å
408	E	92.1	Very high	92.2	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.023	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-41.1	177.2	-72.4	-171.6	148.9	0	0	112	W250 R253 R346 L404 L405 F410 R411 F412	W250-E408 HydrophobicContact CH2-CB 4.08Å; W250-E408 HydrophobicContact CZ3-CB 4.19Å; R253-E408 IonicContact NH1-OE1 3.64Å; R253-E408 PolarHBondContact NH1-OE1 3.43Å; R346-E408 IonicContact CZ-OE2 3.83Å; R346-E408 IonicContact NH1-OE2 2.76Å; R346-E408 PolarHBondContact NH1-OE2 3.04Å; R346-E408 IonicContact NH2-OE2 3.61Å; L404-E408 HydrophobicContact CD1-CG 4.47Å; L404-E408 HydrophobicContact CG-CG 4.46Å; L404-E408 WeakPolarHBondContact O-CG 3.42Å; L404-E408 PolarHBondContact O-N 2.9Å; L405-E408 PolarHBondContact O-N 3.13Å; E408-F410 VanDerWaalsContact C-N 3.33Å; E408-F410 PolarHBondContact O-N 3.41Å; E408-R411 PolarHBondContact O-N 2.99Å; E408-F412 WeakPolarHBondContact O-CB 3.43Å; E408-F412 PolarHBondContact O-N 3.1Å
409	L	94.8	Very high	91.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.3	-47.1	175.6	-178.3	70	0	0	0	110.7	W250 L405 F412 W413 A459 V461 M495 A497	W250-L409 HydrophobicContact CZ2-CD1 4.49Å; L405-L409 VanDerWaalsContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CB 3.12Å; L405-L409 PolarHBondContact O-N 2.99Å; L409-F412 HydrophobicContact CD1-CD1 4.4Å; L409-F412 WeakPolarHBondContact O-CB 3.13Å; L409-F412 PolarHBondContact O-N 3.2Å; L409-W413 VanDerWaalsContact O-CD1 3.32Å; L409-W413 PolarHBondContact O-N 3.04Å; L409-A459 HydrophobicContact CD1-CB 3.78Å; L409-A459 HydrophobicContact CD2-CB 3.91Å; L409-A459 HydrophobicContact CG-CB 4.3Å; L409-V461 HydrophobicContact CB-CG2 4.25Å; L409-V461 HydrophobicContact CD2-CG2 3.77Å; L409-M495 HydrophobicContact CB-SD 3.99Å; L409-M495 HydrophobicContact CD1-CG 4.46Å; L409-M495 HydrophobicContact CD1-SD 3.89Å; L409-M495 HydrophobicContact CG-SD 4.4Å; L409-A497 HydrophobicContact CD1-CB 4.42Å
410	F	93.7	Very high	91.7	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-44.3	-179.9	-167.1	-101.1	0	0	0	111.6	K201 V406 E407 E408 F412 W413 Q414 Y422 L424 L442	K201-F410 HydrophobicContact CB-CD1 4.17Å; K201-F410 HydrophobicContact CB-CD2 4.04Å; K201-F410 HydrophobicContact CB-CE1 3.82Å; K201-F410 HydrophobicContact CB-CE2 3.7Å; K201-F410 HydrophobicContact CB-CG 4.26Å; K201-F410 HydrophobicContact CB-CZ 3.59Å; K201-F410 HydrophobicContact CD-CD1 3.74Å; K201-F410 HydrophobicContact CD-CE1 3.93Å; K201-F410 HydrophobicContact CD-CG 4.19Å; K201-F410 HydrophobicContact CG-CE1 4.49Å; V406-F410 PolarHBondContact O-N 2.91Å; V406-F410 VanDerWaalsContact O-N 3.15Å; E407-F410 PolarHBondContact O-N 2.98Å; E408-F410 VanDerWaalsContact C-N 3.33Å; E408-F410 PolarHBondContact O-N 3.41Å; F410-F412 PolarHBondContact O-N 2.87Å; F410-W413 PolarHBondContact O-N 2.69Å; F410-Q414 HydrophobicContact CD1-CG 4.23Å; F410-Q414 HydrophobicContact CE1-CG 4.07Å; F410-Q414 VanDerWaalsContact CE1-NE2 3.26Å; F410-Q414 WeakPolarHBondContact O-CG 3.37Å; F410-Q414 PolarHBondContact O-N 3.49Å; F410-Y422 HydrophobicContact CD2-CE2 4.3Å; F410-Y422 AromaticContact CE2-CD2 3.99Å; F410-Y422 HydrophobicContact CE2-CD2 3.99Å; F410-Y422 AromaticContact CE2-CE2 3.82Å; F410-Y422 HydrophobicContact CE2-CE2 3.82Å; F410-Y422 HydrophobicContact CZ-CE2 4.2Å; F410-L424 HydrophobicContact CD2-CB 4.07Å; F410-L424 HydrophobicContact CE2-CB 4.37Å; F410-L442 HydrophobicContact CD2-CD1 3.85Å; F410-L442 HydrophobicContact CE2-CD1 4.2Å
411	R	91	Very high	91.6	Very high	138 Å²	138	27.7 Å²	27.7	52%	0.521	13%	0.13	S	C	.	.	H	α-helix	trans	-62.2	-40.1	174.8	-71.7	179.5	-170.1	174.5	4.6	112.7	E407 E408 W413 Q414 H415	E407-R411 WeakPolarHBondContact O-CG 3.34Å; E407-R411 PolarHBondContact O-N 2.79Å; E408-R411 PolarHBondContact O-N 2.99Å; R411-W413 PolarHBondContact O-N 3.03Å; R411-Q414 WeakPolarHBondContact O-CB 3.2Å; R411-Q414 PolarHBondContact O-N 3.39Å; R411-H415 PolarHBondContact O-N 3.42Å
412	F	92	Very high	91.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.1	-49.4	174.6	159.7	-107.7	0	0	0	110.6	V246 Y249 W250 E408 L409 F410 Q414 H415 Y416 M521	V246-F412 HydrophobicContact CB-CE2 4.32Å; V246-F412 HydrophobicContact CB-CZ 4.19Å; V246-F412 HydrophobicContact CG1-CE1 4.39Å; V246-F412 HydrophobicContact CG1-CE2 3.84Å; V246-F412 HydrophobicContact CG1-CZ 3.53Å; V246-F412 HydrophobicContact CG2-CE2 3.93Å; V246-F412 HydrophobicContact CG2-CZ 3.65Å; Y249-F412 HydrophobicContact CD1-CB 4.37Å; Y249-F412 AromaticContact CD1-CD2 3.53Å; Y249-F412 HydrophobicContact CD1-CD2 3.53Å; Y249-F412 HydrophobicContact CD1-CE2 4.3Å; Y249-F412 HydrophobicContact CD1-CG 4.28Å; Y249-F412 HydrophobicContact CD2-CD2 4.36Å; Y249-F412 HydrophobicContact CE1-CB 3.67Å; Y249-F412 AromaticContact CE1-CD2 3.68Å; Y249-F412 HydrophobicContact CE1-CD2 3.68Å; Y249-F412 HydrophobicContact CE1-CG 4.07Å; Y249-F412 HydrophobicContact CE2-CD2 4.46Å; Y249-F412 AromaticContact CG-CD2 3.91Å; Y249-F412 HydrophobicContact CG-CD2 3.91Å; Y249-F412 HydrophobicContact CG-CE2 4.41Å; W250-F412 HydrophobicContact CH2-CB 4.36Å; W250-F412 HydrophobicContact CZ2-CB 3.83Å; W250-F412 HydrophobicContact CZ2-CD1 4.1Å; W250-F412 AromaticContact CZ2-CG 3.89Å; W250-F412 HydrophobicContact CZ2-CG 3.89Å; E408-F412 WeakPolarHBondContact O-CB 3.43Å; E408-F412 PolarHBondContact O-N 3.1Å; L409-F412 HydrophobicContact CD1-CD1 4.4Å; L409-F412 WeakPolarHBondContact O-CB 3.13Å; L409-F412 PolarHBondContact O-N 3.2Å; F410-F412 PolarHBondContact O-N 2.87Å; F412-Q414 VanDerWaalsContact C-N 3.3Å; F412-Q414 PolarHBondContact O-N 2.95Å; F412-H415 CarbonylContact O-C 3.59Å; F412-H415 WeakPolarHBondContact O-CB 3.48Å; F412-H415 PolarHBondContact O-N 2.79Å; F412-H415 VanDerWaalsContact O-N 3.1Å; F412-Y416 AromaticContact CE2-CD2 3.99Å; F412-Y416 HydrophobicContact CE2-CD2 3.99Å; F412-Y416 HydrophobicContact CE2-CG 4.42Å; F412-Y416 AromaticContact CZ-CD2 3.63Å; F412-Y416 HydrophobicContact CZ-CD2 3.63Å; F412-Y416 HydrophobicContact CZ-CG 4.06Å; F412-Y416 VanDerWaalsContact O-CB 3.29Å; F412-Y416 WeakPolarHBondContact O-CB 3.36Å; F412-Y416 PolarHBondContact O-N 3.21Å; F412-M521 HydrophobicContact CE2-CE 4.36Å
413	W	92.1	Very high	91.5	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-67.6	-28.9	179.1	-79.6	94.6	0	0	0	113.4	L409 F410 R411 H415 Y416 Q417 P418 Y422 L442 L458 A459 A497 W498 L503	L409-W413 VanDerWaalsContact O-CD1 3.32Å; L409-W413 PolarHBondContact O-N 3.04Å; F410-W413 PolarHBondContact O-N 2.69Å; R411-W413 PolarHBondContact O-N 3.03Å; W413-H415 VanDerWaalsContact C-N 3.28Å; W413-H415 PolarHBondContact O-N 3.4Å; W413-Y416 AromaticContact CE3-CD1 3.73Å; W413-Y416 HydrophobicContact CE3-CD1 3.73Å; W413-Y416 HydrophobicContact CE3-CE1 4.25Å; W413-Y416 HydrophobicContact CE3-CG 4.35Å; W413-Y416 HydrophobicContact CH2-CE1 4.35Å; W413-Y416 AromaticContact CZ3-CD1 3.67Å; W413-Y416 HydrophobicContact CZ3-CD1 3.67Å; W413-Y416 AromaticContact CZ3-CE1 3.7Å; W413-Y416 HydrophobicContact CZ3-CE1 3.7Å; W413-Y416 PolarHBondContact O-N 3.12Å; W413-Q417 PolarHBondContact O-N 2.89Å; W413-P418 HydrophobicContact CE3-CG 4.38Å; W413-P418 HydrophobicContact CZ3-CG 4.26Å; W413-Y422 HydrophobicContact CB-CE1 4.46Å; W413-Y422 HydrophobicContact CB-CE2 4.07Å; W413-Y422 PolarHBondContact O-OH 3.31Å; W413-L442 HydrophobicContact CB-CD2 3.74Å; W413-L442 HydrophobicContact CD2-CD2 3.6Å; W413-L442 HydrophobicContact CE3-CD2 4.38Å; W413-L442 HydrophobicContact CG-CD2 3.25Å; W413-L458 HydrophobicContact CE3-CD1 4.22Å; W413-L458 HydrophobicContact CH2-CB 3.93Å; W413-L458 HydrophobicContact CH2-CD1 4.18Å; W413-L458 HydrophobicContact CH2-CD2 4.23Å; W413-L458 HydrophobicContact CH2-CG 4.36Å; W413-L458 HydrophobicContact CZ2-CB 3.83Å; W413-L458 HydrophobicContact CZ3-CD1 3.95Å; W413-A459 HydrophobicContact CZ2-CB 4.27Å; W413-A497 PolarHBondContact NE1-O 3.39Å; W413-W498 AromaticContact CH2-CD1 3.95Å; W413-W498 AromaticContact CZ2-CD1 3.99Å; W413-L503 HydrophobicContact CH2-CD1 4.32Å; W413-L503 HydrophobicContact CZ3-CD1 4.32Å
414	Q	88.7	Confident	91.5	Very high	67 Å²	67	25.5 Å²	25.5	31%	0.313	12%	0.118	S	C	.	.	H	α-helix	trans	-68.1	-27.4	171.6	-73.4	-178.6	-41.7	0	0	113.7	Y203 F410 R411 F412 Q417 Y422	Y203-Q414 HydrophobicContact CD2-CG 3.84Å; Y203-Q414 HydrophobicContact CE2-CG 4.3Å; Y203-Q414 HydrophobicContact CG-CG 4.35Å; F410-Q414 HydrophobicContact CD1-CG 4.23Å; F410-Q414 HydrophobicContact CE1-CG 4.07Å; F410-Q414 VanDerWaalsContact CE1-NE2 3.26Å; F410-Q414 WeakPolarHBondContact O-CG 3.37Å; F410-Q414 PolarHBondContact O-N 3.49Å; R411-Q414 WeakPolarHBondContact O-CB 3.2Å; R411-Q414 PolarHBondContact O-N 3.39Å; F412-Q414 VanDerWaalsContact C-N 3.3Å; F412-Q414 PolarHBondContact O-N 2.95Å; Q414-Q417 WeakPolarHBondContact O-CG 3.17Å; Q414-Q417 PolarHBondContact O-NE2 3.21Å; Q414-Y422 WeakPolarHBondContact CA-OH 3.42Å; Q414-Y422 VanDerWaalsContact CG-OH 3.3Å; Q414-Y422 WeakPolarHBondContact CG-OH 3.43Å; Q414-Y422 PolarHBondContact N-OH 2.87Å
415	H	86.9	Confident	91.6	Very high	72 Å²	72	22.6 Å²	22.6	33%	0.333	10%	0.103	S	C	.	.	H	α-helix	trans	-86.6	-38.9	173.8	-173.4	76	0	0	0	111	Y249 R411 F412 W413 Q417 N520 M521	Y249-H415 AromaticContact CD2-CD2 3.9Å; Y249-H415 AromaticContact CE2-CD2 3.7Å; R411-H415 PolarHBondContact O-N 3.42Å; F412-H415 CarbonylContact O-C 3.59Å; F412-H415 WeakPolarHBondContact O-CB 3.48Å; F412-H415 PolarHBondContact O-N 2.79Å; F412-H415 VanDerWaalsContact O-N 3.1Å; W413-H415 VanDerWaalsContact C-N 3.28Å; W413-H415 PolarHBondContact O-N 3.4Å; H415-Q417 VanDerWaalsContact C-N 3.33Å; H415-Q417 PolarHBondContact O-N 3.32Å; H415-N520 PolarHBondContact CE1-O 2.9Å; H415-N520 PolarHBondContact ND1-O 2.95Å; H415-N520 PolarHBondContact NE2-O 3.2Å; H415-M521 PolarHBondContact CD2-SD 2.92Å; H415-M521 WeakPolarHBondContact NE2-CA 3.3Å
416	Y	87.7	Confident	91.6	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-65.2	-34.6	179.7	179.2	-79.1	0	0	0	112.2	H242 V246 F412 W413 P418 W498 L503 Y516 M521	H242-Y416 AromaticContact ND1-CZ 3.67Å; H242-Y416 PolarHBondContact ND1-OH 2.73Å; V246-Y416 HydrophobicContact CG2-CD2 3.72Å; V246-Y416 HydrophobicContact CG2-CE2 3.61Å; F412-Y416 AromaticContact CE2-CD2 3.99Å; F412-Y416 HydrophobicContact CE2-CD2 3.99Å; F412-Y416 HydrophobicContact CE2-CG 4.42Å; F412-Y416 AromaticContact CZ-CD2 3.63Å; F412-Y416 HydrophobicContact CZ-CD2 3.63Å; F412-Y416 HydrophobicContact CZ-CG 4.06Å; F412-Y416 VanDerWaalsContact O-CB 3.29Å; F412-Y416 WeakPolarHBondContact O-CB 3.36Å; F412-Y416 PolarHBondContact O-N 3.21Å; W413-Y416 AromaticContact CE3-CD1 3.73Å; W413-Y416 HydrophobicContact CE3-CD1 3.73Å; W413-Y416 HydrophobicContact CE3-CE1 4.25Å; W413-Y416 HydrophobicContact CE3-CG 4.35Å; W413-Y416 HydrophobicContact CH2-CE1 4.35Å; W413-Y416 AromaticContact CZ3-CD1 3.67Å; W413-Y416 HydrophobicContact CZ3-CD1 3.67Å; W413-Y416 AromaticContact CZ3-CE1 3.7Å; W413-Y416 HydrophobicContact CZ3-CE1 3.7Å; W413-Y416 PolarHBondContact O-N 3.12Å; Y416-P418 HydrophobicContact CD1-CB 4.38Å; Y416-P418 HydrophobicContact CD1-CG 4.41Å; Y416-P418 HydrophobicContact CE1-CB 4.07Å; Y416-P418 HydrophobicContact CE1-CG 4.48Å; Y416-W498 AromaticContact CE2-NE1 3.67Å; Y416-W498 AromaticContact CZ-NE1 3.57Å; Y416-W498 PolarHBondContact OH-NE1 2.98Å; Y416-L503 HydrophobicContact CE1-CD1 4.06Å; Y416-L503 WeakPolarHBondContact OH-CD2 3.32Å; Y416-Y516 VanDerWaalsContact C-OH 3.24Å; Y416-Y516 WeakPolarHBondContact CA-OH 3.37Å; Y416-Y516 WeakPolarHBondContact CB-OH 3.35Å; Y416-Y516 HydrophobicContact CD1-CE2 4.28Å; Y416-Y516 WeakPolarHBondContact CD1-OH 3.5Å; Y416-Y516 HydrophobicContact CD2-CE2 4.12Å; Y416-Y516 AromaticContact CD2-CZ 3.75Å; Y416-Y516 WeakPolarHBondContact CD2-OH 3.5Å; Y416-Y516 HydrophobicContact CE1-CE2 4.07Å; Y416-Y516 AromaticContact CE2-CE2 3.81Å; Y416-Y516 HydrophobicContact CE2-CE2 3.81Å; Y416-Y516 AromaticContact CE2-CZ 3.9Å; Y416-Y516 WeakPolarHBondContact CE2-OH 3.39Å; Y416-Y516 HydrophobicContact CG-CE2 4.29Å; Y416-Y516 AromaticContact CG-CZ 3.89Å; Y416-Y516 AromaticContact CZ-CE2 3.8Å; Y416-Y516 WeakPolarHBondContact O-CE2 3.43Å; Y416-Y516 PolarHBondContact O-OH 3.35Å; Y416-M521 HydrophobicContact CD2-CE 4.13Å
417	Q	85.1	Confident	91.5	Very high	66 Å²	66	25.6 Å²	25.6	31%	0.308	12%	0.116	S	C	.	.			trans	37.7	74.9	172.8	-59.8	-163.8	-1.8	0	0	115.7	Y203 W413 Q414 H415 G419	Y203-Q417 PolarHBondContact OH-NE2 3.39Å; W413-Q417 PolarHBondContact O-N 2.89Å; Q414-Q417 WeakPolarHBondContact O-CG 3.17Å; Q414-Q417 PolarHBondContact O-NE2 3.21Å; H415-Q417 VanDerWaalsContact C-N 3.33Å; H415-Q417 PolarHBondContact O-N 3.32Å; Q417-G419 PolarHBondContact O-N 2.72Å
418	P	86.7	Confident	91.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.111	C	C	.	.			trans	-67.1	-2.7	175	30.3	-30.3	0	0	0	112.8	W413 Y416 W420 M513 N514	W413-P418 HydrophobicContact CE3-CG 4.38Å; W413-P418 HydrophobicContact CZ3-CG 4.26Å; Y416-P418 HydrophobicContact CD1-CB 4.38Å; Y416-P418 HydrophobicContact CD1-CG 4.41Å; Y416-P418 HydrophobicContact CE1-CB 4.07Å; Y416-P418 HydrophobicContact CE1-CG 4.48Å; P418-W420 HydrophobicContact CB-CD2 3.76Å; P418-W420 HydrophobicContact CB-CE3 3.67Å; P418-W420 HydrophobicContact CB-CG 4.34Å; P418-W420 HydrophobicContact CB-CH2 4.23Å; P418-W420 HydrophobicContact CB-CZ2 4.31Å; P418-W420 HydrophobicContact CB-CZ3 3.92Å; P418-W420 HydrophobicContact CG-CB 4.28Å; P418-W420 HydrophobicContact CG-CD2 3.84Å; P418-W420 HydrophobicContact CG-CE3 3.57Å; P418-W420 HydrophobicContact CG-CG 4.19Å; P418-W420 HydrophobicContact CG-CZ3 4.18Å; P418-M513 HydrophobicContact CB-CG 4.14Å; P418-M513 WeakPolarHBondContact O-CA 3.36Å; P418-M513 WeakPolarHBondContact O-CG 3.49Å; P418-N514 PolarHBondContact O-N 2.81Å
419	G	87.4	Confident	91.6	Very high	5 Å²	5	24.4 Å²	24.4	5%	0.052	11%	0.11	C	C	.	.	S	Bend	trans	87.9	19.9	-175.5	0	0	0	0	0	113.6	K205 Q417 Y512 N514	K205-G419 WeakPolarHBondContact CD-O 2.9Å; K205-G419 WeakPolarHBondContact CE-O 3.45Å; K205-G419 WeakPolarHBondContact CG-O 3.23Å; Q417-G419 PolarHBondContact O-N 2.72Å; G419-Y512 PolarHBondContact O-OH 2.95Å; G419-N514 VanDerWaalsContact CA-CG 3.43Å; G419-N514 WeakPolarHBondContact CA-ND2 3.47Å
420	W	89.9	Confident	91.5	Very high	1 Å²	1	26 Å²	26	0%	0.004	12%	0.121	C	C	.	.			trans	-121.8	155.7	-176.9	-47.8	-32.7	0	0	0	111.3	P418 Y422 T444 M446 L458 L503 S506 F507 I510 Y512 M513	P418-W420 HydrophobicContact CB-CD2 3.76Å; P418-W420 HydrophobicContact CB-CE3 3.67Å; P418-W420 HydrophobicContact CB-CG 4.34Å; P418-W420 HydrophobicContact CB-CH2 4.23Å; P418-W420 HydrophobicContact CB-CZ2 4.31Å; P418-W420 HydrophobicContact CB-CZ3 3.92Å; P418-W420 HydrophobicContact CG-CB 4.28Å; P418-W420 HydrophobicContact CG-CD2 3.84Å; P418-W420 HydrophobicContact CG-CE3 3.57Å; P418-W420 HydrophobicContact CG-CG 4.19Å; P418-W420 HydrophobicContact CG-CZ3 4.18Å; W420-Y422 WeakPolarHBondContact O-CD1 3.35Å; W420-T444 HydrophobicContact CE3-CG2 3.99Å; W420-T444 HydrophobicContact CZ3-CG2 4.46Å; W420-M446 HydrophobicContact CB-CE 4.49Å; W420-M446 HydrophobicContact CB-CG 4.03Å; W420-M446 HydrophobicContact CB-SD 4.03Å; W420-L458 HydrophobicContact CZ3-CD2 4.34Å; W420-L503 HydrophobicContact CH2-CD1 3.81Å; W420-L503 HydrophobicContact CH2-CG 4.43Å; W420-L503 HydrophobicContact CZ3-CD1 3.8Å; W420-S506 VanDerWaalsContact CZ3-CB 3.41Å; W420-F507 HydrophobicContact CH2-CB 3.97Å; W420-F507 HydrophobicContact CZ2-CB 3.96Å; W420-I510 HydrophobicContact CB-CD1 4.33Å; W420-I510 HydrophobicContact CD2-CD1 3.5Å; W420-I510 HydrophobicContact CE3-CD1 3.92Å; W420-I510 HydrophobicContact CG-CD1 3.67Å; W420-I510 HydrophobicContact CZ2-CD1 4.31Å; W420-I510 HydrophobicContact CZ3-CD1 4.48Å; W420-Y512 PolarHBondContact NE1-O 2.81Å; W420-M513 HydrophobicContact CZ2-CB 3.95Å; W420-M513 HydrophobicContact CZ2-CG 4.01Å
421	S	92.3	Very high	91.5	Very high	16 Å²	16	30.6 Å²	30.6	11%	0.112	15%	0.146	C	C	.	.			trans	-79.4	147.2	163.3	-61.4	0	0	0	0	109.3	Y203 K205 D445 M446	Y203-S421 WeakPolarHBondContact O-CA 2.99Å; Y203-S421 WeakPolarHBondContact O-CB 3.33Å; K205-S421 PolarHBondContact N-OG 3.35Å; S421-D445 VanDerWaalsContact CB-O 3.25Å; S421-D445 WeakPolarHBondContact CB-O 3.41Å; S421-D445 PolarHBondContact O-N 3.46Å; S421-M446 PolarHBondContact N-SD 2.86Å
422	Y	93.5	Very high	91.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.5	177.4	47.7	-99.7	0	0	0	110.6	Y203 F410 W413 Q414 W420 L442 Y443	Y203-Y422 HydrophobicContact CD1-CD1 4.12Å; Y203-Y422 AromaticContact CD1-CE1 3.41Å; Y203-Y422 HydrophobicContact CD1-CE1 3.41Å; Y203-Y422 VanDerWaalsContact CD1-CE1 3.41Å; Y203-Y422 HydrophobicContact CD1-CE2 4.1Å; Y203-Y422 AromaticContact CD1-CZ 3.38Å; Y203-Y422 WeakPolarHBondContact CD1-OH 3.5Å; Y203-Y422 HydrophobicContact CE1-CE1 4.07Å; Y203-Y422 HydrophobicContact CG-CE1 4.05Å; Y203-Y422 AromaticContact CG-CE2 3.87Å; Y203-Y422 HydrophobicContact CG-CE2 3.87Å; Y203-Y422 AromaticContact CG-CZ 3.52Å; Y203-Y422 PolarHBondContact N-O 2.76Å; Y203-Y422 PolarHBondContact O-N 3.17Å; F410-Y422 HydrophobicContact CD2-CE2 4.3Å; F410-Y422 AromaticContact CE2-CD2 3.99Å; F410-Y422 HydrophobicContact CE2-CD2 3.99Å; F410-Y422 AromaticContact CE2-CE2 3.82Å; F410-Y422 HydrophobicContact CE2-CE2 3.82Å; F410-Y422 HydrophobicContact CZ-CE2 4.2Å; W413-Y422 HydrophobicContact CB-CE1 4.46Å; W413-Y422 HydrophobicContact CB-CE2 4.07Å; W413-Y422 PolarHBondContact O-OH 3.31Å; Q414-Y422 WeakPolarHBondContact CA-OH 3.42Å; Q414-Y422 VanDerWaalsContact CG-OH 3.3Å; Q414-Y422 WeakPolarHBondContact CG-OH 3.43Å; Q414-Y422 PolarHBondContact N-OH 2.87Å; W420-Y422 WeakPolarHBondContact O-CD1 3.35Å; Y422-L442 HydrophobicContact CD2-CD1 3.69Å; Y422-L442 HydrophobicContact CD2-CD2 4.18Å; Y422-L442 HydrophobicContact CD2-CG 4.21Å; Y422-L442 HydrophobicContact CE2-CD1 4.35Å; Y422-L442 HydrophobicContact CG-CD1 4.43Å; Y422-L442 HydrophobicContact CG-CD2 4.42Å; Y422-Y443 CarbonylContact C-O 3.49Å; Y422-Y443 WeakPolarHBondContact CA-O 3.45Å; Y422-Y443 WeakPolarHBondContact CB-O 3.17Å
423	K	94.5	Very high	91.8	Very high	23 Å²	23	29 Å²	29	10%	0.1	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.6	179.7	67	-174.1	169.4	-151.3	0	110.8	P199 K201 T425 L442 Y443 D445	P199-K423 HydrophobicContact CB-CB 4.08Å; K201-K423 WeakPolarHBondContact O-CA 3.12Å; K423-T425 HydrophobicContact CD-CG2 4.48Å; K423-T425 HydrophobicContact CG-CG2 4.39Å; K423-L442 CarbonylContact O-C 3.58Å; K423-L442 WeakPolarHBondContact O-CA 3.32Å; K423-Y443 PolarHBondContact N-O 2.88Å; K423-Y443 PolarHBondContact O-N 2.83Å; K423-D445 HydrophobicContact CB-CB 4.3Å; K423-D445 HydrophobicContact CD-CB 4.19Å; K423-D445 WeakPolarHBondContact CE-OD1 3.17Å; K423-D445 HydrophobicContact CG-CB 4.09Å; K423-D445 IonicContact NZ-OD1 3.17Å; K423-D445 PolarHBondContact NZ-OD1 3.47Å
424	L	95.5	Very high	91.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.1	177.1	-175.2	82.6	0	0	0	108.6	P199 I200 K201 V406 F410 A440 V441 L442	P199-L424 CarbonylContact C-O 3.5Å; P199-L424 WeakPolarHBondContact CA-O 3.34Å; I200-L424 HydrophobicContact CB-CD2 4.03Å; I200-L424 HydrophobicContact CB-CG 4.45Å; I200-L424 HydrophobicContact CD1-CD2 4.01Å; I200-L424 HydrophobicContact CD1-CG 4.15Å; I200-L424 HydrophobicContact CG2-CD2 4.12Å; I200-L424 PolarHBondContact N-O 2.95Å; K201-L424 PolarHBondContact O-N 2.99Å; V406-L424 HydrophobicContact CG1-CD2 3.34Å; F410-L424 HydrophobicContact CD2-CB 4.07Å; F410-L424 HydrophobicContact CE2-CB 4.37Å; L424-A440 HydrophobicContact CD1-CB 4.39Å; L424-V441 WeakPolarHBondContact CA-O 3.49Å; L424-L442 HydrophobicContact CB-CD1 4.01Å; L424-L442 HydrophobicContact CD1-CB 4.15Å; L424-L442 HydrophobicContact CD1-CD1 4.02Å
425	T	94.5	Very high	92.2	Very high	9 Å²	9	27.3 Å²	27.3	6%	0.055	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.6	-177.7	56	0	0	0	0	111.1	P199 K423 A440 V441 Y443	P199-T425 HydrophobicContact CB-CG2 4.49Å; K423-T425 HydrophobicContact CD-CG2 4.48Å; K423-T425 HydrophobicContact CG-CG2 4.39Å; T425-A440 CarbonylContact O-C 3.59Å; T425-A440 VanDerWaalsContact O-CA 3.32Å; T425-A440 WeakPolarHBondContact O-CA 3.23Å; T425-V441 PolarHBondContact N-O 3.21Å; T425-V441 PolarHBondContact O-N 2.81Å; T425-Y443 WeakPolarHBondContact OG1-CD2 3.3Å; T425-Y443 WeakPolarHBondContact OG1-CE2 3.42Å
426	Y	95.1	Very high	92.7	Very high	56 Å²	56	23.9 Å²	23.9	22%	0.22	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142	166.4	-68.5	-57.1	0	0	0	110.7	I200 F402 L438 R439 A440	I200-Y426 HydrophobicContact CD1-CD1 3.63Å; I200-Y426 HydrophobicContact CD1-CD2 3.65Å; I200-Y426 HydrophobicContact CD1-CE1 3.49Å; I200-Y426 VanDerWaalsContact CD1-CE1 3.49Å; I200-Y426 HydrophobicContact CD1-CE2 3.52Å; I200-Y426 HydrophobicContact CD1-CG 3.71Å; I200-Y426 VanDerWaalsContact CD1-CZ 3.44Å; I200-Y426 HydrophobicContact CG1-CD2 3.83Å; I200-Y426 HydrophobicContact CG1-CE2 3.7Å; I200-Y426 HydrophobicContact CG1-CG 4.32Å; F402-Y426 HydrophobicContact CE1-CE1 4.05Å; F402-Y426 HydrophobicContact CZ-CE1 4.03Å; Y426-L438 HydrophobicContact CD1-CD1 3.63Å; Y426-L438 HydrophobicContact CD1-CD2 4.16Å; Y426-L438 HydrophobicContact CD1-CG 3.93Å; Y426-L438 HydrophobicContact CE1-CD1 4.09Å; Y426-L438 HydrophobicContact CE1-CD2 3.75Å; Y426-L438 HydrophobicContact CE1-CG 4Å; Y426-L438 HydrophobicContact CG-CD1 4.06Å; Y426-R439 WeakPolarHBondContact CA-O 3.26Å; Y426-A440 HydrophobicContact CD1-CB 4.08Å; Y426-A440 HydrophobicContact CE1-CB 4.09Å
427	T	93.9	Very high	93.2	Very high	12 Å²	12	24.8 Å²	24.8	7%	0.074	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-77.3	139.3	176.2	-55.9	0	0	0	0	111.1	P190 D431 L432 R439 V441	P190-T427 WeakPolarHBondContact CD-O 3.43Å; T427-D431 HydrophobicContact CG2-CB 3.7Å; T427-L432 HydrophobicContact CG2-CD2 4.04Å; T427-R439 PolarHBondContact N-O 2.7Å; T427-V441 WeakPolarHBondContact OG1-CG2 3.43Å
428	E	93.1	Very high	93.8	Very high	37 Å²	37	21.7 Å²	21.7	17%	0.173	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-59.8	144.8	173.3	-166.9	-164.1	160.5	0	0	110.2	R101 S430 D431 L432	R101-E428 IonicContact CZ-OE1 2.66Å; R101-E428 IonicContact NE-OE1 3.37Å; R101-E428 IonicContact NH2-OE1 3.9Å; R101-E428 PolarHBondContact NH2-OE1 2.96Å; R101-E428 IonicContact NH2-OE2 3.37Å; E428-S430 PolarHBondContact O-N 2.92Å; E428-S430 VanDerWaalsContact O-N 3.13Å; E428-S430 PolarHBondContact OE1-OG 3.45Å; E428-S430 PolarHBondContact OE2-OG 3.41Å; E428-D431 PolarHBondContact O-N 3.19Å; E428-L432 PolarHBondContact O-N 2.99Å
429	A	95	Very high	94.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-47.6	-40.8	174.7	0	0	0	0	0	113.6	A99 R100 I185 T189 P190 V191 D431 L432	A99-A429 HydrophobicContact CB-CB 3.88Å; R100-A429 WeakPolarHBondContact CG-O 3.42Å; I185-A429 HydrophobicContact CG2-CB 4.48Å; T189-A429 HydrophobicContact CG2-CB 3.8Å; P190-A429 PolarHBondContact O-N 3.49Å; V191-A429 HydrophobicContact CG2-CB 4.19Å; A429-D431 PolarHBondContact O-N 2.78Å; A429-L432 PolarHBondContact O-N 2.99Å
430	S	93.5	Very high	94.8	Very high	34 Å²	34	23.2 Å²	23.2	24%	0.238	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-61.9	-24.3	-180	59.7	0	0	0	0	114.5	E428	E428-S430 PolarHBondContact O-N 2.92Å; E428-S430 VanDerWaalsContact O-N 3.13Å; E428-S430 PolarHBondContact OE1-OG 3.45Å; E428-S430 PolarHBondContact OE2-OG 3.41Å
431	D	92.7	Very high	95.1	Very high	103 Å²	103	23.2 Å²	23.2	55%	0.551	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-105	-1	-172.4	-55.5	-17.9	0	0	0	112	T427 E428 A429	T427-D431 HydrophobicContact CG2-CB 3.7Å; E428-D431 PolarHBondContact O-N 3.19Å; A429-D431 PolarHBondContact O-N 2.78Å
432	L	94.6	Very high	95.3	Very high	14 Å²	14	22.5 Å²	22.5	7%	0.073	11%	0.111	C	C	.	.	S	Bend	trans	-70.7	138	173.2	-70	-178.5	0	0	0	111.1	R100 I185 T189 T427 E428 A429 E436 R439	R100-L432 VanDerWaalsContact NH1-CB 3.27Å; R100-L432 PolarHBondContact NH1-O 3.29Å; R100-L432 VanDerWaalsContact NH1-O 3.08Å; I185-L432 HydrophobicContact CG2-CD1 4.43Å; T189-L432 HydrophobicContact CG2-CD1 3.68Å; T427-L432 HydrophobicContact CG2-CD2 4.04Å; E428-L432 PolarHBondContact O-N 2.99Å; A429-L432 PolarHBondContact O-N 2.99Å; L432-E436 HydrophobicContact CB-CB 4.39Å; L432-E436 HydrophobicContact CD2-CB 4.21Å; L432-R439 HydrophobicContact CD2-CB 3.4Å; L432-R439 VanDerWaalsContact CD2-CB 3.4Å
433	Y	94.6	Very high	95.4	Very high	89 Å²	89	25.1 Å²	25.1	35%	0.349	12%	0.121	S	C	.	.			trans	-63.7	156.5	167.9	-65.1	-71.4	0	0	0	110.8	R100 W280 C435 E436 R439	R100-Y433 PolarHBondContact NH1-O 3.38Å; W280-Y433 HydrophobicContact CB-CG 4.49Å; W280-Y433 AromaticContact CD1-CE1 3.72Å; W280-Y433 AromaticContact CD1-CE2 3.97Å; W280-Y433 AromaticContact CD1-CZ 3.67Å; W280-Y433 AromaticContact CD2-CD2 3.77Å; W280-Y433 HydrophobicContact CD2-CD2 3.77Å; W280-Y433 AromaticContact CD2-CE2 3.77Å; W280-Y433 HydrophobicContact CD2-CE2 3.77Å; W280-Y433 HydrophobicContact CD2-CG 4.23Å; W280-Y433 AromaticContact CE2-CD2 3.85Å; W280-Y433 AromaticContact CE2-CE2 3.33Å; W280-Y433 AromaticContact CE2-CZ 3.73Å; W280-Y433 HydrophobicContact CE3-CD2 4.04Å; W280-Y433 HydrophobicContact CE3-CE2 4.34Å; W280-Y433 HydrophobicContact CG-CD1 4.19Å; W280-Y433 HydrophobicContact CG-CD2 4.13Å; W280-Y433 HydrophobicContact CG-CE1 4.27Å; W280-Y433 HydrophobicContact CG-CE2 4.18Å; W280-Y433 HydrophobicContact CG-CG 4.14Å; W280-Y433 HydrophobicContact CH2-CD2 4.46Å; W280-Y433 HydrophobicContact CH2-CE2 4.19Å; W280-Y433 HydrophobicContact CZ2-CD2 4.22Å; W280-Y433 AromaticContact CZ2-CE2 3.59Å; W280-Y433 HydrophobicContact CZ2-CE2 3.59Å; W280-Y433 HydrophobicContact CZ3-CD2 4.37Å; W280-Y433 AromaticContact NE1-CE1 3.87Å; W280-Y433 AromaticContact NE1-CE2 3.47Å; W280-Y433 AromaticContact NE1-CZ 3.31Å; W280-Y433 VanDerWaalsContact NE1-CZ 3.31Å; W280-Y433 PolarHBondContact NE1-OH 2.77Å; Y433-C435 PolarHBondContact O-N 2.94Å; Y433-C435 VanDerWaalsContact O-N 3.1Å; Y433-E436 WeakPolarHBondContact CD2-OE2 3.16Å; Y433-E436 PolarHBondContact N-OE2 3.37Å; Y433-E436 PolarHBondContact O-N 3.31Å; Y433-R439 VanDerWaalsContact CE2-NH1 3.25Å
434	S	94.7	Very high	95.4	Very high	34 Å²	34	24 Å²	24	24%	0.238	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.1	-176.1	-60.6	0	0	0	0	113.5	P182 N183	P182-S434 CarbonylContact C-O 3.5Å; N183-S434 VanDerWaalsContact CB-O 3.26Å; N183-S434 WeakPolarHBondContact CB-O 3.45Å; N183-S434 PolarHBondContact N-O 3.21Å
435	C	96.1	Very high	95.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.4	-179.2	60.5	0	0	0	0	114.3	N183 T278 Y433 W467 I468	N183-C435 PolarHBondContact ND2-O 3.16Å; T278-C435 WeakPolarHBondContact O-CB 3.5Å; T278-C435 PolarHBondContact O-SG 3.36Å; Y433-C435 PolarHBondContact O-N 2.94Å; Y433-C435 VanDerWaalsContact O-N 3.1Å; C435-W467 HydrophobicContact CB-CD2 4.08Å; C435-W467 HydrophobicContact CB-CE3 3.4Å; C435-W467 VanDerWaalsContact CB-CE3 3.4Å; C435-W467 HydrophobicContact CB-CH2 4.33Å; C435-W467 HydrophobicContact CB-CZ3 3.55Å; C435-I468 HydrophobicContact CB-CD1 4.21Å; C435-I468 HydrophobicContact CB-CG1 4.14Å
436	E	97.4	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.			trans	-88.3	135.1	-170.7	-61	179.8	134.7	0	0	111.6	R100 L432 Y433 R439 S462	R100-E436 PolarHBondContact NH2-O 3.26Å; L432-E436 HydrophobicContact CB-CB 4.39Å; L432-E436 HydrophobicContact CD2-CB 4.21Å; Y433-E436 WeakPolarHBondContact CD2-OE2 3.16Å; Y433-E436 PolarHBondContact N-OE2 3.37Å; Y433-E436 PolarHBondContact O-N 3.31Å; E436-R439 VanDerWaalsContact OE1-CD 3.3Å; E436-R439 WeakPolarHBondContact OE1-CD 3.31Å; E436-R439 IonicContact OE1-NE 2.69Å; E436-S462 VanDerWaalsContact OE1-CB 3.28Å; E436-S462 WeakPolarHBondContact OE1-CB 3.46Å; E436-S462 PolarHBondContact OE1-OG 2.87Å
437	M	97.6	Very high	94.4	Very high	21 Å²	21	30.6 Å²	30.6	10%	0.103	15%	0.149	C	C	.	.	S	Bend	trans	-88.7	-37.5	170.5	-54.2	-176.6	64.8	0	0	111.3	N183 I184 I185 H186 T189 W395 L463	N183-M437 HydrophobicContact CB-CG 4.47Å; N183-M437 WeakPolarHBondContact ND2-CG 2.92Å; I184-M437 HydrophobicContact CB-CE 4.5Å; I184-M437 WeakPolarHBondContact O-CA 2.64Å; I184-M437 VanDerWaalsContact O-CB 3.27Å; I184-M437 WeakPolarHBondContact O-CB 3.19Å; I184-M437 VanDerWaalsContact O-CG 3.23Å; I184-M437 WeakPolarHBondContact O-CG 3.39Å; I185-M437 WeakPolarHBondContact CA-O 3.37Å; H186-M437 PolarHBondContact N-O 2.82Å; T189-M437 PolarHBondContact OG1-O 2.93Å; W395-M437 HydrophobicContact CH2-CE 3.39Å; W395-M437 HydrophobicContact CH2-SD 3.44Å; W395-M437 WeakPolarHBondContact CH2-SD 3.29Å; W395-M437 HydrophobicContact CZ2-CE 4.18Å; W395-M437 HydrophobicContact CZ3-CE 3.87Å; W395-M437 HydrophobicContact CZ3-SD 3.5Å; W395-M437 VanDerWaalsContact CZ3-SD 3.5Å; M437-L463 HydrophobicContact CB-CD2 4.49Å; M437-L463 HydrophobicContact CB-CG 4.28Å; M437-L463 PolarHBondContact N-O 2.7Å
438	L	97.6	Very high	93.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	145.8	179.2	-178	62.4	0	0	0	108.4	H186 L188 T189 F402 Y426 S462 L463	H186-L438 HydrophobicContact CB-CB 3.79Å; H186-L438 HydrophobicContact CB-CD2 4.3Å; H186-L438 HydrophobicContact CB-CG 4.49Å; L188-L438 HydrophobicContact CB-CD1 4.42Å; L188-L438 HydrophobicContact CB-CD2 4.07Å; L188-L438 HydrophobicContact CD1-CD2 4.38Å; T189-L438 WeakPolarHBondContact OG1-CD1 3.41Å; F402-L438 HydrophobicContact CD1-CD2 4.35Å; F402-L438 HydrophobicContact CE1-CD2 3.49Å; F402-L438 VanDerWaalsContact CE1-CD2 3.49Å; F402-L438 HydrophobicContact CE1-CG 4.18Å; F402-L438 HydrophobicContact CZ-CB 4.45Å; F402-L438 HydrophobicContact CZ-CD2 3.71Å; F402-L438 HydrophobicContact CZ-CG 3.85Å; Y426-L438 HydrophobicContact CD1-CD1 3.63Å; Y426-L438 HydrophobicContact CD1-CD2 4.16Å; Y426-L438 HydrophobicContact CD1-CG 3.93Å; Y426-L438 HydrophobicContact CE1-CD1 4.09Å; Y426-L438 HydrophobicContact CE1-CD2 3.75Å; Y426-L438 HydrophobicContact CE1-CG 4Å; Y426-L438 HydrophobicContact CG-CD1 4.06Å; L438-S462 WeakPolarHBondContact O-CA 3.36Å; L438-L463 HydrophobicContact CB-CB 4.2Å; L438-L463 HydrophobicContact CB-CD2 4.48Å; L438-L463 PolarHBondContact O-N 3.38Å
439	R	97.2	Very high	92.8	Very high	37 Å²	37	36.4 Å²	36.4	14%	0.14	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.6	175.9	-173.2	-175	-173.4	-176.6	-3.7	110.1	Y426 T427 L432 Y433 E436 V441 S460 V461	Y426-R439 WeakPolarHBondContact CA-O 3.26Å; T427-R439 PolarHBondContact N-O 2.7Å; L432-R439 HydrophobicContact CD2-CB 3.4Å; L432-R439 VanDerWaalsContact CD2-CB 3.4Å; Y433-R439 VanDerWaalsContact CE2-NH1 3.25Å; E436-R439 VanDerWaalsContact OE1-CD 3.3Å; E436-R439 WeakPolarHBondContact OE1-CD 3.31Å; E436-R439 IonicContact OE1-NE 2.69Å; R439-V441 HydrophobicContact CG-CG2 3.84Å; R439-S460 PolarHBondContact NH2-OG 2.92Å; R439-V461 CarbonylContact C-O 3.55Å; R439-V461 WeakPolarHBondContact CA-O 3.47Å
440	A	97.4	Very high	92.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.2	168	0	0	0	0	0	108.9	I200 F402 V406 L424 T425 Y426 S460 V461	I200-A440 HydrophobicContact CD1-CB 4.25Å; F402-A440 HydrophobicContact CZ-CB 4.18Å; V406-A440 HydrophobicContact CG1-CB 4.37Å; V406-A440 HydrophobicContact CG2-CB 3.79Å; L424-A440 HydrophobicContact CD1-CB 4.39Å; T425-A440 CarbonylContact O-C 3.59Å; T425-A440 VanDerWaalsContact O-CA 3.32Å; T425-A440 WeakPolarHBondContact O-CA 3.23Å; Y426-A440 HydrophobicContact CD1-CB 4.08Å; Y426-A440 HydrophobicContact CE1-CB 4.09Å; A440-S460 CarbonylContact O-C 3.59Å; A440-S460 WeakPolarHBondContact O-CA 3.33Å; A440-S460 VanDerWaalsContact O-CB 3.32Å; A440-S460 WeakPolarHBondContact O-CB 3.45Å; A440-V461 PolarHBondContact N-O 3.37Å; A440-V461 PolarHBondContact O-N 3.44Å
441	V	97	Very high	91.5	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134	-177.8	-175.9	0	0	0	0	109.3	L424 T425 T427 R439 Y443 P457	L424-V441 WeakPolarHBondContact CA-O 3.49Å; T425-V441 PolarHBondContact N-O 3.21Å; T425-V441 PolarHBondContact O-N 2.81Å; T427-V441 WeakPolarHBondContact OG1-CG2 3.43Å; R439-V441 HydrophobicContact CG-CG2 3.84Å; V441-Y443 HydrophobicContact CB-CD2 4.13Å; V441-Y443 HydrophobicContact CB-CE2 3.49Å; V441-Y443 VanDerWaalsContact CB-CE2 3.49Å; V441-Y443 HydrophobicContact CG1-CD1 4.49Å; V441-Y443 HydrophobicContact CG1-CD2 3.91Å; V441-Y443 HydrophobicContact CG1-CE1 4.06Å; V441-Y443 HydrophobicContact CG1-CE2 3.42Å; V441-Y443 VanDerWaalsContact CG1-CE2 3.42Å; V441-Y443 HydrophobicContact CG1-CG 4.42Å; V441-Y443 VanDerWaalsContact CG1-CZ 3.49Å; V441-Y443 HydrophobicContact CG2-CE2 4.48Å; V441-P457 HydrophobicContact CG1-CB 3.75Å
442	L	96.5	Very high	91.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118	171.9	-167.4	80.3	0	0	0	108.5	F410 W413 Y422 K423 L424 L458 A459	F410-L442 HydrophobicContact CD2-CD1 3.85Å; F410-L442 HydrophobicContact CE2-CD1 4.2Å; W413-L442 HydrophobicContact CB-CD2 3.74Å; W413-L442 HydrophobicContact CD2-CD2 3.6Å; W413-L442 HydrophobicContact CE3-CD2 4.38Å; W413-L442 HydrophobicContact CG-CD2 3.25Å; Y422-L442 HydrophobicContact CD2-CD1 3.69Å; Y422-L442 HydrophobicContact CD2-CD2 4.18Å; Y422-L442 HydrophobicContact CD2-CG 4.21Å; Y422-L442 HydrophobicContact CE2-CD1 4.35Å; Y422-L442 HydrophobicContact CG-CD1 4.43Å; Y422-L442 HydrophobicContact CG-CD2 4.42Å; K423-L442 CarbonylContact O-C 3.58Å; K423-L442 WeakPolarHBondContact O-CA 3.32Å; L424-L442 HydrophobicContact CB-CD1 4.01Å; L424-L442 HydrophobicContact CD1-CB 4.15Å; L424-L442 HydrophobicContact CD1-CD1 4.02Å; L442-L458 HydrophobicContact CD2-CB 4.31Å; L442-L458 HydrophobicContact CD2-CD1 4.2Å; L442-L458 PolarHBondContact O-N 2.97Å; L442-A459 HydrophobicContact CB-CB 4.33Å; L442-A459 PolarHBondContact N-O 3.28Å
443	Y	95.1	Very high	90.7	Very high	56 Å²	56	49.9 Å²	49.9	22%	0.22	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.7	175.7	-69.1	-85.7	0	0	0	110.6	Y422 K423 T425 V441 S455 I456 P457	Y422-Y443 CarbonylContact C-O 3.49Å; Y422-Y443 WeakPolarHBondContact CA-O 3.45Å; Y422-Y443 WeakPolarHBondContact CB-O 3.17Å; K423-Y443 PolarHBondContact N-O 2.88Å; K423-Y443 PolarHBondContact O-N 2.83Å; T425-Y443 WeakPolarHBondContact OG1-CD2 3.3Å; T425-Y443 WeakPolarHBondContact OG1-CE2 3.42Å; V441-Y443 HydrophobicContact CB-CD2 4.13Å; V441-Y443 HydrophobicContact CB-CE2 3.49Å; V441-Y443 VanDerWaalsContact CB-CE2 3.49Å; V441-Y443 HydrophobicContact CG1-CD1 4.49Å; V441-Y443 HydrophobicContact CG1-CD2 3.91Å; V441-Y443 HydrophobicContact CG1-CE1 4.06Å; V441-Y443 HydrophobicContact CG1-CE2 3.42Å; V441-Y443 VanDerWaalsContact CG1-CE2 3.42Å; V441-Y443 HydrophobicContact CG1-CG 4.42Å; V441-Y443 VanDerWaalsContact CG1-CZ 3.49Å; V441-Y443 HydrophobicContact CG2-CE2 4.48Å; Y443-S455 WeakPolarHBondContact CD1-OG 3.31Å; Y443-I456 WeakPolarHBondContact CA-O 3.31Å; Y443-P457 HydrophobicContact CD1-CB 4.07Å; Y443-P457 HydrophobicContact CE1-CB 3.74Å; Y443-P457 HydrophobicContact CE1-CG 4.23Å
444	T	93.5	Very high	90.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	146	157.7	48.3	0	0	0	0	110	W420 I454 S455 I456 L458 S506 I510	W420-T444 HydrophobicContact CE3-CG2 3.99Å; W420-T444 HydrophobicContact CZ3-CG2 4.46Å; T444-I454 CarbonylContact C-O 3.51Å; T444-I454 VanDerWaalsContact O-O 3.1Å; T444-I454 PolarHBondContact OG1-O 3.41Å; T444-S455 WeakPolarHBondContact O-CA 3.08Å; T444-I456 PolarHBondContact N-O 2.96Å; T444-I456 PolarHBondContact OG1-N 3.26Å; T444-I456 PolarHBondContact OG1-O 3.05Å; T444-L458 HydrophobicContact CG2-CD1 3.75Å; T444-L458 HydrophobicContact CG2-CD2 3.96Å; T444-L458 HydrophobicContact CG2-CG 3.93Å; T444-S506 WeakPolarHBondContact CG2-OG 3.44Å; T444-I510 HydrophobicContact CG2-CD1 4.22Å
445	D	91.4	Very high	90.1	Very high	57 Å²	57	46.9 Å²	46.9	31%	0.305	26%	0.255	S	S	.	.			trans	-133.6	64.3	179.2	-165.1	40.5	0	0	0	108.6	S421 K423	S421-D445 VanDerWaalsContact CB-O 3.25Å; S421-D445 WeakPolarHBondContact CB-O 3.41Å; S421-D445 PolarHBondContact O-N 3.46Å; K423-D445 HydrophobicContact CB-CB 4.3Å; K423-D445 HydrophobicContact CD-CB 4.19Å; K423-D445 WeakPolarHBondContact CE-OD1 3.17Å; K423-D445 HydrophobicContact CG-CB 4.09Å; K423-D445 IonicContact NZ-OD1 3.17Å; K423-D445 PolarHBondContact NZ-OD1 3.47Å
446	M	88.5	Confident	89.8	Confident	25 Å²	25	47.9 Å²	47.9	12%	0.123	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158	-173.2	-67.2	-70.9	-73.8	0	0	110	W420 S421 I454 I510	W420-M446 HydrophobicContact CB-CE 4.49Å; W420-M446 HydrophobicContact CB-CG 4.03Å; W420-M446 HydrophobicContact CB-SD 4.03Å; S421-M446 PolarHBondContact N-SD 2.86Å; M446-I454 HydrophobicContact CB-CB 4.37Å; M446-I454 PolarHBondContact N-O 3.12Å; M446-I454 PolarHBondContact O-N 2.93Å; M446-I510 HydrophobicContact CB-CD1 4.25Å; M446-I510 HydrophobicContact CB-CG1 4.25Å; M446-I510 HydrophobicContact CE-CG2 3.96Å; M446-I510 HydrophobicContact CG-CD1 3.86Å; M446-I510 HydrophobicContact CG-CG1 4.34Å
447	K	84.8	Confident	89.7	Confident	122 Å²	122	50.6 Å²	50.6	53%	0.53	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.6	167.9	-67.2	-172.8	177.6	-168.8	0	109.6	I452 E453	K447-I452 CarbonylContact C-O 3.55Å; K447-I452 VanDerWaalsContact CA-O 3.32Å; K447-I452 WeakPolarHBondContact CA-O 3.44Å; K447-E453 HydrophobicContact CG-CG 4.23Å; K447-E453 IonicContact NZ-OE1 2.88Å
448	T	76.9	Confident	89.5	Confident	36 Å²	36	49.7 Å²	49.7	22%	0.221	27%	0.273	C	S	.	.			trans	-64.9	170.2	166.9	60.8	0	0	0	0	110.1	S450 D451 I452 I454	T448-S450 PolarHBondContact O-N 2.75Å; T448-S450 VanDerWaalsContact O-N 3.13Å; T448-S450 PolarHBondContact OG1-N 2.9Å; T448-S450 PolarHBondContact OG1-OG 3.05Å; T448-D451 PolarHBondContact O-N 3.3Å; T448-D451 PolarHBondContact OG1-N 2.94Å; T448-I452 HydrophobicContact CG2-CB 4.18Å; T448-I452 PolarHBondContact N-O 3.28Å; T448-I452 WeakPolarHBondContact OG1-CB 3.24Å; T448-I452 PolarHBondContact OG1-N 2.79Å; T448-I454 HydrophobicContact CG2-CD1 3.63Å; T448-I454 HydrophobicContact CG2-CG1 3.95Å
449	S	75.8	Confident	89.5	Confident	135 Å²	135	49.8 Å²	49.8	94%	0.944	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.4	168.1	50.1	0	0	0	0	113.6
450	S	81.6	Confident	89.5	Confident	76 Å²	76	48.1 Å²	48.1	53%	0.531	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	17.2	175.8	53.2	0	0	0	0	113.8	T448 I452	T448-S450 PolarHBondContact O-N 2.75Å; T448-S450 VanDerWaalsContact O-N 3.13Å; T448-S450 PolarHBondContact OG1-N 2.9Å; T448-S450 PolarHBondContact OG1-OG 3.05Å; S450-I452 PolarHBondContact O-N 3.12Å; S450-I452 WeakPolarHBondContact OG-CD1 3.21Å
451	D	81	Confident	89.6	Confident	123 Å²	123	48.1 Å²	48.1	66%	0.658	27%	0.268	S	S	*	.			trans	60.6	18.9	-179.9	-77.8	-38.1	0	0	0	115.6	T448	T448-D451 PolarHBondContact O-N 3.3Å; T448-D451 PolarHBondContact OG1-N 2.94Å
452	I	84.2	Confident	89.6	Confident	106 Å²	106	48 Å²	48	54%	0.544	27%	0.267	S	S	.	.			trans	-79.6	125.3	173.6	-56.2	173.1	0	0	0	108.5	K447 T448 S450 I454	K447-I452 CarbonylContact C-O 3.55Å; K447-I452 VanDerWaalsContact CA-O 3.32Å; K447-I452 WeakPolarHBondContact CA-O 3.44Å; T448-I452 HydrophobicContact CG2-CB 4.18Å; T448-I452 PolarHBondContact N-O 3.28Å; T448-I452 WeakPolarHBondContact OG1-CB 3.24Å; T448-I452 PolarHBondContact OG1-N 2.79Å; S450-I452 PolarHBondContact O-N 3.12Å; S450-I452 WeakPolarHBondContact OG-CD1 3.21Å; I452-I454 PolarHBondContact O-N 2.86Å
453	E	86.4	Confident	89.7	Confident	128 Å²	128	48.1 Å²	48.1	60%	0.598	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	126.4	175.7	-71.6	-175.5	176.3	0	0	111.2	K447	K447-E453 HydrophobicContact CG-CG 4.23Å; K447-E453 IonicContact NZ-OE1 2.88Å
454	I	85.7	Confident	89.9	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.3	173	-60.5	164.8	0	0	0	107.1	T444 M446 T448 I452 I456 Q509 I510	T444-I454 CarbonylContact C-O 3.51Å; T444-I454 VanDerWaalsContact O-O 3.1Å; T444-I454 PolarHBondContact OG1-O 3.41Å; M446-I454 HydrophobicContact CB-CB 4.37Å; M446-I454 PolarHBondContact N-O 3.12Å; M446-I454 PolarHBondContact O-N 2.93Å; T448-I454 HydrophobicContact CG2-CD1 3.63Å; T448-I454 HydrophobicContact CG2-CG1 3.95Å; I452-I454 PolarHBondContact O-N 2.86Å; I454-I456 HydrophobicContact CG2-CD1 3.86Å; I454-I456 HydrophobicContact CG2-CG1 4.12Å; I454-Q509 HydrophobicContact CD1-CB 4.06Å; I454-Q509 HydrophobicContact CG1-CB 4.4Å; I454-Q509 HydrophobicContact CG2-CB 4.26Å; I454-I510 HydrophobicContact CD1-CG1 3.81Å; I454-I510 HydrophobicContact CG2-CG1 4.43Å
455	S	89.7	Confident	90	Very high	57 Å²	57	45.5 Å²	45.5	40%	0.399	26%	0.258	S	S	.	.			trans	-130	76.7	179.3	179.2	0	0	0	0	110.6	Y443 T444	Y443-S455 WeakPolarHBondContact CD1-OG 3.31Å; T444-S455 WeakPolarHBondContact O-CA 3.08Å
456	I	91.1	Very high	90.1	Very high	20 Å²	20	44 Å²	44	10%	0.103	25%	0.25	C	C	.	.			trans	-98.7	130.4	179.3	-64.9	165	0	0	0	109.1	Y443 T444 I454 L458 D505 S506 Q509	Y443-I456 WeakPolarHBondContact CA-O 3.31Å; T444-I456 PolarHBondContact N-O 2.96Å; T444-I456 PolarHBondContact OG1-N 3.26Å; T444-I456 PolarHBondContact OG1-O 3.05Å; I454-I456 HydrophobicContact CG2-CD1 3.86Å; I454-I456 HydrophobicContact CG2-CG1 4.12Å; I456-L458 PolarHBondContact O-N 2.82Å; I456-D505 HydrophobicContact CD1-CB 4.36Å; I456-S506 WeakPolarHBondContact CB-OG 2.95Å; I456-S506 WeakPolarHBondContact CG2-OG 3.28Å; I456-Q509 HydrophobicContact CD1-CB 4.37Å; I456-Q509 HydrophobicContact CD1-CG 4.18Å
457	P	94	Very high	90.5	Very high	57 Å²	57	43.5 Å²	43.5	37%	0.37	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	124.7	175.4	28	-33.4	0	0	0	110.2	V441 Y443 C502	V441-P457 HydrophobicContact CG1-CB 3.75Å; Y443-P457 HydrophobicContact CD1-CB 4.07Å; Y443-P457 HydrophobicContact CE1-CB 3.74Å; Y443-P457 HydrophobicContact CE1-CG 4.23Å; P457-C502 VanDerWaalsContact O-CB 3.26Å; P457-C502 WeakPolarHBondContact O-CB 3.24Å; P457-C502 PolarHBondContact O-SG 3.24Å; P457-C502 VanDerWaalsContact O-SG 3.41Å
458	L	95	Very high	91	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-38.7	179.5	-67	176.1	0	0	0	112.6	W413 W420 L442 T444 I456 S506	W413-L458 HydrophobicContact CE3-CD1 4.22Å; W413-L458 HydrophobicContact CH2-CB 3.93Å; W413-L458 HydrophobicContact CH2-CD1 4.18Å; W413-L458 HydrophobicContact CH2-CD2 4.23Å; W413-L458 HydrophobicContact CH2-CG 4.36Å; W413-L458 HydrophobicContact CZ2-CB 3.83Å; W413-L458 HydrophobicContact CZ3-CD1 3.95Å; W420-L458 HydrophobicContact CZ3-CD2 4.34Å; L442-L458 HydrophobicContact CD2-CB 4.31Å; L442-L458 HydrophobicContact CD2-CD1 4.2Å; L442-L458 PolarHBondContact O-N 2.97Å; T444-L458 HydrophobicContact CG2-CD1 3.75Å; T444-L458 HydrophobicContact CG2-CD2 3.96Å; T444-L458 HydrophobicContact CG2-CG 3.93Å; I456-L458 PolarHBondContact O-N 2.82Å; L458-S506 WeakPolarHBondContact CD2-OG 3.48Å
459	A	96.9	Very high	91.9	Very high	3 Å²	3	36 Å²	36	3%	0.025	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	161.9	-173.2	0	0	0	0	0	110.5	L409 W413 L442 N496 A497	L409-A459 HydrophobicContact CD1-CB 3.78Å; L409-A459 HydrophobicContact CD2-CB 3.91Å; L409-A459 HydrophobicContact CG-CB 4.3Å; W413-A459 HydrophobicContact CZ2-CB 4.27Å; L442-A459 HydrophobicContact CB-CB 4.33Å; L442-A459 PolarHBondContact N-O 3.28Å; A459-N496 CarbonylContact C-O 3.54Å; A459-N496 VanDerWaalsContact CA-O 3.31Å; A459-N496 WeakPolarHBondContact CA-O 3.47Å; A459-N496 VanDerWaalsContact CB-O 3.26Å; A459-N496 WeakPolarHBondContact CB-O 3.47Å; A459-A497 WeakPolarHBondContact CB-O 3.5Å
460	S	97.7	Very high	92.8	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	152.4	176.8	63	0	0	0	0	113.6	R439 A440 M495 N496	R439-S460 PolarHBondContact NH2-OG 2.92Å; A440-S460 CarbonylContact O-C 3.59Å; A440-S460 WeakPolarHBondContact O-CA 3.33Å; A440-S460 VanDerWaalsContact O-CB 3.32Å; A440-S460 WeakPolarHBondContact O-CB 3.45Å; S460-M495 CarbonylContact O-C 3.51Å; S460-M495 WeakPolarHBondContact O-CA 3.13Å; S460-N496 PolarHBondContact N-O 2.79Å; S460-N496 PolarHBondContact O-N 2.91Å
461	V	98.4	Very high	93.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.6	168.6	-167.7	0	0	0	0	108.5	F402 L405 V406 L409 R439 A440 V493 F494 M495	F402-V461 HydrophobicContact CD2-CB 4.46Å; F402-V461 HydrophobicContact CD2-CG1 3.75Å; F402-V461 HydrophobicContact CE2-CB 4.16Å; F402-V461 HydrophobicContact CE2-CG1 3.94Å; L405-V461 HydrophobicContact CB-CG1 3.93Å; V406-V461 HydrophobicContact CG2-CB 3.85Å; V406-V461 HydrophobicContact CG2-CG1 4.18Å; V406-V461 HydrophobicContact CG2-CG2 4Å; L409-V461 HydrophobicContact CB-CG2 4.25Å; L409-V461 HydrophobicContact CD2-CG2 3.77Å; R439-V461 CarbonylContact C-O 3.55Å; R439-V461 WeakPolarHBondContact CA-O 3.47Å; A440-V461 PolarHBondContact N-O 3.37Å; A440-V461 PolarHBondContact O-N 3.44Å; V461-V493 HydrophobicContact CG1-CG1 3.66Å; V461-F494 CarbonylContact C-O 3.58Å; V461-F494 WeakPolarHBondContact CA-O 3.49Å; V461-M495 HydrophobicContact CG1-CB 4.48Å; V461-M495 HydrophobicContact CG2-CB 4.35Å; V461-M495 HydrophobicContact CG2-CG 3.99Å; V461-M495 HydrophobicContact CG2-SD 3.9Å
462	S	98.4	Very high	94.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.2	-176.9	-56.1	0	0	0	0	109.8	E436 L438 V493 F494	E436-S462 VanDerWaalsContact OE1-CB 3.28Å; E436-S462 WeakPolarHBondContact OE1-CB 3.46Å; E436-S462 PolarHBondContact OE1-OG 2.87Å; L438-S462 WeakPolarHBondContact O-CA 3.36Å; S462-V493 WeakPolarHBondContact O-CA 3.44Å; S462-V493 WeakPolarHBondContact O-CG1 3.11Å; S462-F494 PolarHBondContact N-O 2.97Å; S462-F494 PolarHBondContact O-N 3.36Å
463	L	98.6	Very high	94.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.9	169.2	178.9	57.3	0	0	0	108.3	W395 C398 F402 M437 L438 V493	W395-L463 HydrophobicContact CH2-CD1 4.21Å; W395-L463 HydrophobicContact CH2-CD2 3.71Å; W395-L463 HydrophobicContact CH2-CG 4.1Å; W395-L463 HydrophobicContact CZ2-CD2 4.25Å; W395-L463 HydrophobicContact CZ3-CD1 4.3Å; C398-L463 VanDerWaalsContact SG-CD1 3.55Å; F402-L463 HydrophobicContact CB-CB 4.39Å; F402-L463 HydrophobicContact CB-CD1 4.14Å; F402-L463 HydrophobicContact CD2-CB 3.63Å; F402-L463 HydrophobicContact CE2-CB 4.03Å; F402-L463 HydrophobicContact CG-CB 4Å; M437-L463 HydrophobicContact CB-CD2 4.49Å; M437-L463 HydrophobicContact CB-CG 4.28Å; M437-L463 PolarHBondContact N-O 2.7Å; L438-L463 HydrophobicContact CB-CB 4.2Å; L438-L463 HydrophobicContact CB-CD2 4.48Å; L438-L463 PolarHBondContact O-N 3.38Å; L463-V493 HydrophobicContact CD1-CG2 4.03Å
464	I	97.7	Very high	94.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-33	-176.1	-64	166	0	0	0	110.8	N183 L325 I468 M492 F494	N183-I464 PolarHBondContact ND2-O 3.03Å; L325-I464 HydrophobicContact CD1-CD1 3.96Å; L325-I464 HydrophobicContact CD2-CD1 3.9Å; I464-I468 HydrophobicContact CD1-CD1 3.94Å; I464-I468 HydrophobicContact CG2-CB 4.29Å; I464-I468 HydrophobicContact CG2-CD1 3.71Å; I464-I468 HydrophobicContact CG2-CG1 3.7Å; I464-M492 WeakPolarHBondContact CA-O 3.39Å; I464-M492 HydrophobicContact CB-CB 4.02Å; I464-M492 WeakPolarHBondContact CB-O 3.25Å; I464-M492 HydrophobicContact CD1-CB 4.49Å; I464-M492 HydrophobicContact CG2-CB 4.19Å; I464-M492 PolarHBondContact N-O 2.82Å; I464-F494 HydrophobicContact CD1-CB 3.49Å; I464-F494 VanDerWaalsContact CD1-CB 3.49Å
465	G	95.8	Very high	94.9	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.01	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.8	-142.6	-172	0	0	0	0	0	111	Y491 M492	G465-Y491 CarbonylContact O-C 3.56Å; G465-Y491 WeakPolarHBondContact O-CA 3.24Å; G465-M492 PolarHBondContact N-O 2.99Å; G465-M492 PolarHBondContact O-N 2.85Å
466	D	95	Very high	94.7	Very high	25 Å²	25	11 Å²	11	13%	0.134	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.6	-175	63.8	2.6	0	0	0	113.8	I468 S469 R470 Y491	D466-I468 PolarHBondContact O-N 2.93Å; D466-S469 WeakPolarHBondContact CA-OG 3.21Å; D466-S469 PolarHBondContact O-N 2.7Å; D466-S469 PolarHBondContact O-OG 2.78Å; D466-R470 HydrophobicContact CB-CG 4.46Å; D466-R470 WeakPolarHBondContact O-CG 3.44Å; D466-R470 PolarHBondContact O-N 3.39Å; D466-R470 IonicContact OD1-NE 3.27Å; D466-R470 PolarHBondContact OD1-NE 2.83Å; D466-R470 IonicContact OD2-CZ 3.73Å; D466-R470 IonicContact OD2-NE 2.77Å; D466-R470 PolarHBondContact OD2-NE 3.09Å; D466-R470 IonicContact OD2-NH2 2.7Å; D466-R470 PolarHBondContact OD2-NH2 3.37Å; D466-Y491 HydrophobicContact CB-CD1 3.87Å; D466-Y491 HydrophobicContact CB-CE1 3.92Å
467	W	95.8	Very high	94	Very high	15 Å²	15	15 Å²	15	6%	0.057	7%	0.073	C	C	.	.	H	α-helix	trans	-57.3	-44	-171.7	-169	95.4	0	0	0	114.1	N183 A277 S279 C435 R471	N183-W467 HydrophobicContact CB-CB 4.31Å; N183-W467 HydrophobicContact CB-CD2 4.45Å; N183-W467 HydrophobicContact CB-CG 3.84Å; N183-W467 VanDerWaalsContact ND2-CB 3.31Å; N183-W467 WeakPolarHBondContact ND2-CB 3.48Å; A277-W467 WeakPolarHBondContact O-CZ3 3.15Å; S279-W467 WeakPolarHBondContact OG-CH2 3.48Å; C435-W467 HydrophobicContact CB-CD2 4.08Å; C435-W467 HydrophobicContact CB-CE3 3.4Å; C435-W467 VanDerWaalsContact CB-CE3 3.4Å; C435-W467 HydrophobicContact CB-CH2 4.33Å; C435-W467 HydrophobicContact CB-CZ3 3.55Å; W467-R471 VanDerWaalsContact CD1-NH1 3.26Å; W467-R471 VanDerWaalsContact CD2-CZ 3.48Å; W467-R471 VanDerWaalsContact NE1-NH1 3.16Å; W467-R471 WeakPolarHBondContact O-CG 3.48Å; W467-R471 PolarHBondContact O-NH1 2.78Å
468	I	96.3	Very high	92.6	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-74.2	-49.3	176.7	-62.7	178.2	0	0	0	109.7	T278 L325 C435 I464 D466 R470 R471 I472 M492	T278-I468 HydrophobicContact CG2-CD1 4.1Å; T278-I468 HydrophobicContact CG2-CG2 4.31Å; L325-I468 HydrophobicContact CD1-CD1 4.01Å; L325-I468 HydrophobicContact CD2-CD1 3.67Å; L325-I468 HydrophobicContact CG-CD1 3.94Å; C435-I468 HydrophobicContact CB-CD1 4.21Å; C435-I468 HydrophobicContact CB-CG1 4.14Å; I464-I468 HydrophobicContact CD1-CD1 3.94Å; I464-I468 HydrophobicContact CG2-CB 4.29Å; I464-I468 HydrophobicContact CG2-CD1 3.71Å; I464-I468 HydrophobicContact CG2-CG1 3.7Å; D466-I468 PolarHBondContact O-N 2.93Å; I468-R470 PolarHBondContact O-N 3.42Å; I468-R470 VanDerWaalsContact O-N 3.14Å; I468-R471 WeakPolarHBondContact O-CA 3.35Å; I468-R471 WeakPolarHBondContact O-CB 3.35Å; I468-R471 PolarHBondContact O-N 3.16Å; I468-I472 HydrophobicContact CG2-CD1 4.09Å; I468-I472 HydrophobicContact CG2-CG1 4.29Å; I468-I472 WeakPolarHBondContact O-CG1 3.46Å; I468-I472 PolarHBondContact O-N 2.94Å; I468-M492 HydrophobicContact CB-SD 3.92Å; I468-M492 HydrophobicContact CG2-SD 4.14Å
469	S	95.3	Very high	90.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-54.6	-36.5	-176.7	72.3	0	0	0	0	113.4	D466 M473 T474 Y489 P490	D466-S469 WeakPolarHBondContact CA-OG 3.21Å; D466-S469 PolarHBondContact O-N 2.7Å; D466-S469 PolarHBondContact O-OG 2.78Å; S469-M473 WeakPolarHBondContact O-CA 3.42Å; S469-M473 PolarHBondContact O-N 3.34Å; S469-T474 PolarHBondContact O-N 3.25Å; S469-T474 VanDerWaalsContact O-N 3.07Å; S469-Y489 WeakPolarHBondContact O-CD1 3.25Å; S469-Y489 WeakPolarHBondContact OG-CB 3.23Å; S469-P490 VanDerWaalsContact CB-O 3.32Å; S469-P490 WeakPolarHBondContact CB-O 3.46Å; S469-P490 PolarHBondContact OG-O 2.86Å
470	R	94.2	Very high	88.4	Confident	25 Å²	25	27.1 Å²	27.1	9%	0.094	13%	0.132	C	C	.	.	H	α-helix	trans	-66.7	-32.3	174.1	-74.8	177.6	178.2	-61.8	-19.2	113.9	P84 D85 I87 D466 I468 Y489	P84-R470 WeakPolarHBondContact CA-O 3.15Å; D85-R470 PolarHBondContact N-O 3.46Å; D85-R470 VanDerWaalsContact O-CD 3.26Å; D85-R470 WeakPolarHBondContact O-CD 3.49Å; D85-R470 WeakPolarHBondContact O-CG 3.46Å; D85-R470 PolarHBondContact O-NH1 2.84Å; I87-R470 VanDerWaalsContact CG1-CZ 3.43Å; D466-R470 HydrophobicContact CB-CG 4.46Å; D466-R470 WeakPolarHBondContact O-CG 3.44Å; D466-R470 PolarHBondContact O-N 3.39Å; D466-R470 IonicContact OD1-NE 3.27Å; D466-R470 PolarHBondContact OD1-NE 2.83Å; D466-R470 IonicContact OD2-CZ 3.73Å; D466-R470 IonicContact OD2-NE 2.77Å; D466-R470 PolarHBondContact OD2-NE 3.09Å; D466-R470 IonicContact OD2-NH2 2.7Å; D466-R470 PolarHBondContact OD2-NH2 3.37Å; I468-R470 PolarHBondContact O-N 3.42Å; I468-R470 VanDerWaalsContact O-N 3.14Å; R470-Y489 HydrophobicContact CB-CD1 4.41Å; R470-Y489 HydrophobicContact CG-CD1 3.91Å; R470-Y489 HydrophobicContact CG-CD2 4.01Å; R470-Y489 HydrophobicContact CG-CE1 4.26Å; R470-Y489 HydrophobicContact CG-CE2 4.37Å; R470-Y489 HydrophobicContact CG-CG 3.78Å
471	R	94.8	Very high	86	Confident	8 Å²	8	36.6 Å²	36.6	3%	0.03	17%	0.173	C	C	.	.	H	α-helix	trans	-80.6	-39.9	179.1	-71.3	174.9	169.7	72.5	-2	112	L71 P84 L179 A277 W467 I468	L71-R471 HydrophobicContact CD1-CG 4.49Å; P84-R471 HydrophobicContact CB-CG 4.37Å; L179-R471 PolarHBondContact O-NH2 3.41Å; A277-R471 HydrophobicContact CB-CB 3.65Å; W467-R471 VanDerWaalsContact CD1-NH1 3.26Å; W467-R471 VanDerWaalsContact CD2-CZ 3.48Å; W467-R471 VanDerWaalsContact NE1-NH1 3.16Å; W467-R471 WeakPolarHBondContact O-CG 3.48Å; W467-R471 PolarHBondContact O-NH1 2.78Å; I468-R471 WeakPolarHBondContact O-CA 3.35Å; I468-R471 WeakPolarHBondContact O-CB 3.35Å; I468-R471 PolarHBondContact O-N 3.16Å
472	I	94.2	Very high	83.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-89.8	1.9	177.4	62.9	170.4	0	0	0	114.8	A277 S329 L332 M333 H334 I468 T474 M492	A277-I472 HydrophobicContact CB-CG2 3.3Å; S329-I472 WeakPolarHBondContact O-CD1 3.35Å; S329-I472 WeakPolarHBondContact OG-CG2 3.07Å; L332-I472 HydrophobicContact CB-CD1 3.84Å; M333-I472 WeakPolarHBondContact CA-O 3.42Å; M333-I472 HydrophobicContact CB-CB 4.26Å; M333-I472 HydrophobicContact CG-CB 4.18Å; H334-I472 PolarHBondContact N-O 2.82Å; I468-I472 HydrophobicContact CG2-CD1 4.09Å; I468-I472 HydrophobicContact CG2-CG1 4.29Å; I468-I472 WeakPolarHBondContact O-CG1 3.46Å; I468-I472 PolarHBondContact O-N 2.94Å; I472-T474 WeakPolarHBondContact CD1-OG1 3.47Å; I472-T474 VanDerWaalsContact CG1-OG1 3.28Å; I472-T474 WeakPolarHBondContact CG1-OG1 3.26Å; I472-T474 PolarHBondContact O-N 2.66Å; I472-M492 HydrophobicContact CD1-CE 4.33Å
473	M	93.3	Very high	80.8	Confident	31 Å²	31	49.7 Å²	49.7	15%	0.153	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	34	177.5	-60.9	-61.9	-85.4	0	0	114.2	L82 F83 D85 S469 Y489	L82-M473 HydrophobicContact CD2-CB 4.11Å; L82-M473 HydrophobicContact CD2-CG 4.04Å; F83-M473 VanDerWaalsContact O-CE 3.31Å; F83-M473 WeakPolarHBondContact O-CE 3.37Å; D85-M473 HydrophobicContact CB-SD 4.35Å; S469-M473 WeakPolarHBondContact O-CA 3.42Å; S469-M473 PolarHBondContact O-N 3.34Å; M473-Y489 HydrophobicContact SD-CE1 4.05Å; M473-Y489 PolarHBondContact SD-OH 3.27Å; M473-Y489 VanDerWaalsContact SD-OH 3.41Å
474	T	91.9	Very high	78.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.281	C	S	.	.			trans	-76.1	123.3	169.1	-50.1	0	0	0	0	108.8	L332 H335 S469 I472 Y489 P490	L332-T474 HydrophobicContact CB-CG2 4.1Å; L332-T474 WeakPolarHBondContact CB-OG1 3.37Å; L332-T474 PolarHBondContact O-OG1 3.37Å; H335-T474 CarbonylContact O-C 3.58Å; H335-T474 WeakPolarHBondContact O-CA 3.32Å; S469-T474 PolarHBondContact O-N 3.25Å; S469-T474 VanDerWaalsContact O-N 3.07Å; I472-T474 WeakPolarHBondContact CD1-OG1 3.47Å; I472-T474 VanDerWaalsContact CG1-OG1 3.28Å; I472-T474 WeakPolarHBondContact CG1-OG1 3.26Å; I472-T474 PolarHBondContact O-N 2.66Å; T474-Y489 VanDerWaalsContact O-CD1 3.22Å; T474-Y489 WeakPolarHBondContact O-CD1 3.23Å; T474-P490 HydrophobicContact CG2-CG 3.89Å; T474-P490 WeakPolarHBondContact O-CD 3.25Å
475	K	89.4	Confident	75.6	Confident	38 Å²	38	67.7 Å²	67.7	17%	0.165	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	154.1	-174.9	-67.5	-179.9	169.1	-176.1	0	111.4	H335 R336 A337 E487 Y489	H335-K475 PolarHBondContact O-N 3.17Å; R336-K475 CarbonylContact C-O 3.41Å; R336-K475 VanDerWaalsContact CA-O 3.22Å; R336-K475 WeakPolarHBondContact CA-O 3.48Å; R336-K475 HydrophobicContact CG-CB 4.47Å; A337-K475 PolarHBondContact N-O 2.72Å; K475-E487 HydrophobicContact CB-CB 4.49Å; K475-E487 HydrophobicContact CD-CB 3.82Å; K475-E487 HydrophobicContact CD-CG 4.41Å; K475-E487 WeakPolarHBondContact CD-OE2 3.33Å; K475-E487 WeakPolarHBondContact CE-OE2 3.2Å; K475-E487 HydrophobicContact CG-CB 4.43Å; K475-E487 IonicContact NZ-OE2 2.91Å; K475-E487 PolarHBondContact NZ-OE2 3.37Å; K475-Y489 WeakPolarHBondContact CE-OH 3.48Å; K475-Y489 HydrophobicContact CG-CD1 4.37Å; K475-Y489 HydrophobicContact CG-CE1 4.04Å
476	I	85.3	Confident	73.6	Confident	3 Å²	3	71.8 Å²	71.8	2%	0.015	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.8	170.6	-55.9	176.2	0	0	0	107.9	A337 L339 F340 K393 K478 S488 P490	A337-I476 WeakPolarHBondContact O-CA 3.13Å; L339-I476 HydrophobicContact CD1-CD1 3.87Å; L339-I476 HydrophobicContact CD1-CG1 3.99Å; F340-I476 HydrophobicContact CE2-CG2 3.6Å; F340-I476 HydrophobicContact CZ-CG2 3.45Å; F340-I476 VanDerWaalsContact CZ-CG2 3.45Å; K393-I476 HydrophobicContact CB-CD1 3.93Å; I476-K478 PolarHBondContact O-N 2.97Å; I476-S488 PolarHBondContact N-O 3.07Å; I476-P490 HydrophobicContact CD1-CB 4.15Å; I476-P490 HydrophobicContact CG1-CB 4.07Å; I476-P490 HydrophobicContact CG1-CG 4.48Å
477	K	76.3	Confident	71.8	Confident	104 Å²	104	73.2 Å²	73.2	45%	0.452	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-63.2	127.8	176.6	-169	175.1	-178.7	-178.9	0	109	A337 F340 T479	A337-K477 PolarHBondContact O-N 3.34Å; F340-K477 WeakPolarHBondContact CE2-O 3.47Å; F340-K477 WeakPolarHBondContact CZ-O 3.41Å; K477-T479 PolarHBondContact O-N 3.27Å
478	K	65.3	Low	71.2	Confident	91 Å²	91	75.2 Å²	75.2	40%	0.396	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-60.4	124.2	174.8	-73.7	178.8	177.7	165.3	0	109.6	I476 R484 S486	I476-K478 PolarHBondContact O-N 2.97Å; K478-R484 PolarHBondContact NZ-O 3.29Å; K478-S486 WeakPolarHBondContact CE-O 3.35Å
479	T	55.2	Low	71	Confident	54 Å²	54	75.7 Å²	75.7	33%	0.331	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-89.8	146.4	156.4	47.9	0	0	0	0	108	F340 K477 K481	F340-T479 HydrophobicContact CB-CG2 4.11Å; F340-T479 HydrophobicContact CD1-CG2 3.68Å; F340-T479 WeakPolarHBondContact CD1-OG1 3.49Å; F340-T479 HydrophobicContact CD2-CG2 3.47Å; F340-T479 VanDerWaalsContact CD2-CG2 3.47Å; F340-T479 HydrophobicContact CE1-CG2 3.91Å; F340-T479 WeakPolarHBondContact CE1-OG1 3.17Å; F340-T479 HydrophobicContact CE2-CG2 3.73Å; F340-T479 HydrophobicContact CG-CG2 3.44Å; F340-T479 VanDerWaalsContact CG-CG2 3.44Å; F340-T479 HydrophobicContact CZ-CG2 3.91Å; K477-T479 PolarHBondContact O-N 3.27Å; T479-K481 PolarHBondContact O-N 3.39Å
480	D	47.8	Very low	70.8	Confident	170 Å²	170	75.7 Å²	75.7	91%	0.909	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	7.5	-160.1	-67.9	-44.8	0	0	0	117.5
481	K	47.1	Very low	70.9	Confident	201 Å²	201	77.2 Å²	77.2	87%	0.874	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-2.1	-169.8	-68.5	-171	177.2	-178	0	117.1	T479	T479-K481 PolarHBondContact O-N 3.39Å
482	I	44.5	Very low	70.9	Confident	131 Å²	131	76.9 Å²	76.9	67%	0.672	38%	0.379	S	S	*	.	S	Bend	trans	-120.3	119.4	179.9	-54.9	177.4	0	0	0	109.9
483	N	43.2	Very low	71.1	Confident	144 Å²	144	77 Å²	77	77%	0.77	38%	0.379	S	S	*	.			trans	15.8	110.8	173.8	-107	-22.8	0	0	0	117.6	N485	N483-N485 PolarHBondContact O-N 3.05Å
484	R	42.6	Very low	71.3	Confident	222 Å²	222	75.6 Å²	75.6	84%	0.838	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.3	-171	-73.5	-178.9	174.7	174.1	-1.7	115.9	K478	K478-R484 PolarHBondContact NZ-O 3.29Å
485	N	45.3	Very low	71.6	Confident	157 Å²	157	75.6 Å²	75.6	84%	0.84	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	0.5	-162.7	-72.4	0.3	0	0	0	118.1	N483	N483-N485 PolarHBondContact O-N 3.05Å
486	S	52.2	Low	72	Confident	87 Å²	87	74.7 Å²	74.7	61%	0.608	37%	0.369	S	S	*	.			trans	-143.6	129.8	167.6	53.2	0	0	0	0	111.3	K478 S488	K478-S486 WeakPolarHBondContact CE-O 3.35Å; S486-S488 PolarHBondContact O-N 3.49Å
487	E	58.2	Low	72.5	Confident	56 Å²	56	74.6 Å²	74.6	26%	0.262	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-69.3	122.1	162.9	-66.6	179.5	138.2	0	0	106.5	R336 K475	R336-E487 IonicContact CZ-OE1 2.87Å; R336-E487 VanDerWaalsContact CZ-OE1 3.27Å; R336-E487 IonicContact NE-OE1 3.11Å; R336-E487 IonicContact NH2-OE1 2.79Å; R336-E487 PolarHBondContact NH2-OE1 3.34Å; R336-E487 IonicContact NH2-OE2 3.06Å; K475-E487 HydrophobicContact CB-CB 4.49Å; K475-E487 HydrophobicContact CD-CB 3.82Å; K475-E487 HydrophobicContact CD-CG 4.41Å; K475-E487 WeakPolarHBondContact CD-OE2 3.33Å; K475-E487 WeakPolarHBondContact CE-OE2 3.2Å; K475-E487 HydrophobicContact CG-CB 4.43Å; K475-E487 IonicContact NZ-OE2 2.91Å; K475-E487 PolarHBondContact NZ-OE2 3.37Å
488	S	82.9	Confident	73.4	Confident	56 Å²	56	69.6 Å²	69.6	39%	0.392	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-82.4	152.2	-179.6	57.5	0	0	0	0	111.2	I476 S486	I476-S488 PolarHBondContact N-O 3.07Å; S486-S488 PolarHBondContact O-N 3.49Å
489	Y	91.4	Very high	74.8	Confident	11 Å²	11	65.8 Å²	65.8	4%	0.043	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-99.2	137.8	178.1	-69.6	-89.4	0	0	0	109.1	D85 S469 R470 M473 T474 K475	D85-Y489 HydrophobicContact CB-CE2 4.4Å; D85-Y489 VanDerWaalsContact CB-OH 3.3Å; D85-Y489 WeakPolarHBondContact CB-OH 3.35Å; D85-Y489 PolarHBondContact OD2-OH 3.06Å; S469-Y489 WeakPolarHBondContact O-CD1 3.25Å; S469-Y489 WeakPolarHBondContact OG-CB 3.23Å; R470-Y489 HydrophobicContact CB-CD1 4.41Å; R470-Y489 HydrophobicContact CG-CD1 3.91Å; R470-Y489 HydrophobicContact CG-CD2 4.01Å; R470-Y489 HydrophobicContact CG-CE1 4.26Å; R470-Y489 HydrophobicContact CG-CE2 4.37Å; R470-Y489 HydrophobicContact CG-CG 3.78Å; M473-Y489 HydrophobicContact SD-CE1 4.05Å; M473-Y489 PolarHBondContact SD-OH 3.27Å; M473-Y489 VanDerWaalsContact SD-OH 3.41Å; T474-Y489 VanDerWaalsContact O-CD1 3.22Å; T474-Y489 WeakPolarHBondContact O-CD1 3.23Å; K475-Y489 WeakPolarHBondContact CE-OH 3.48Å; K475-Y489 HydrophobicContact CG-CD1 4.37Å; K475-Y489 HydrophobicContact CG-CE1 4.04Å
490	P	92.5	Very high	76.6	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-70.5	142.7	176.1	30.5	-33.5	0	0	0	111.3	L339 T392 S469 T474 I476	L339-P490 HydrophobicContact CD1-CB 4.2Å; T392-P490 WeakPolarHBondContact O-CA 3.09Å; S469-P490 VanDerWaalsContact CB-O 3.32Å; S469-P490 WeakPolarHBondContact CB-O 3.46Å; S469-P490 PolarHBondContact OG-O 2.86Å; T474-P490 HydrophobicContact CG2-CG 3.89Å; T474-P490 WeakPolarHBondContact O-CD 3.25Å; I476-P490 HydrophobicContact CD1-CB 4.15Å; I476-P490 HydrophobicContact CG1-CB 4.07Å; I476-P490 HydrophobicContact CG1-CG 4.48Å
491	Y	94.6	Very high	78.7	Confident	57 Å²	57	58.9 Å²	58.9	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	148	171.2	-60.3	-89.1	0	0	0	109.9	L391 T392 W395 C398 G465 D466	L391-Y491 WeakPolarHBondContact CA-O 3.48Å; T392-Y491 PolarHBondContact N-O 3.37Å; T392-Y491 PolarHBondContact O-N 2.86Å; T392-Y491 PolarHBondContact OG1-O 2.91Å; W395-Y491 HydrophobicContact CB-CE1 4.35Å; W395-Y491 HydrophobicContact CB-CE2 4.46Å; W395-Y491 AromaticContact CE3-CD1 3.77Å; W395-Y491 HydrophobicContact CE3-CD1 3.77Å; W395-Y491 AromaticContact CE3-CE1 3.95Å; W395-Y491 HydrophobicContact CE3-CE1 3.95Å; W395-Y491 HydrophobicContact CZ3-CD1 4.41Å; C398-Y491 HydrophobicContact CB-CG 4.29Å; C398-Y491 WeakPolarHBondContact SG-CB 3.37Å; G465-Y491 CarbonylContact O-C 3.56Å; G465-Y491 WeakPolarHBondContact O-CA 3.24Å; D466-Y491 HydrophobicContact CB-CD1 3.87Å; D466-Y491 HydrophobicContact CB-CE1 3.92Å
492	M	96.4	Very high	80.9	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.5	-170.1	-56.2	-170.6	167	0	0	112.2	L332 L389 E390 L391 I464 G465 I468 I472	L332-M492 HydrophobicContact CD1-CE 3.8Å; L389-M492 HydrophobicContact CD1-CB 4.43Å; E390-M492 WeakPolarHBondContact O-CA 3.21Å; L391-M492 HydrophobicContact CD2-CE 3.89Å; L391-M492 HydrophobicContact CD2-CG 3.7Å; L391-M492 HydrophobicContact CD2-SD 4.33Å; I464-M492 WeakPolarHBondContact CA-O 3.39Å; I464-M492 HydrophobicContact CB-CB 4.02Å; I464-M492 WeakPolarHBondContact CB-O 3.25Å; I464-M492 HydrophobicContact CD1-CB 4.49Å; I464-M492 HydrophobicContact CG2-CB 4.19Å; I464-M492 PolarHBondContact N-O 2.82Å; G465-M492 PolarHBondContact N-O 2.99Å; G465-M492 PolarHBondContact O-N 2.85Å; I468-M492 HydrophobicContact CB-SD 3.92Å; I468-M492 HydrophobicContact CG2-SD 4.14Å; I472-M492 HydrophobicContact CD1-CE 4.33Å
493	V	97.6	Very high	83.1	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.5	162.2	-176.3	0	0	0	0	108	L389 E390 F402 L405 V461 S462 L463	L389-V493 WeakPolarHBondContact CA-O 3.47Å; E390-V493 HydrophobicContact CB-CB 4.28Å; E390-V493 PolarHBondContact N-O 3.5Å; E390-V493 PolarHBondContact O-N 3.06Å; F402-V493 HydrophobicContact CB-CG1 4.27Å; F402-V493 HydrophobicContact CB-CG2 4.02Å; F402-V493 HydrophobicContact CD2-CG1 4.16Å; L405-V493 HydrophobicContact CD1-CB 4.17Å; L405-V493 HydrophobicContact CD1-CG1 3.69Å; V461-V493 HydrophobicContact CG1-CG1 3.66Å; S462-V493 WeakPolarHBondContact O-CA 3.44Å; S462-V493 WeakPolarHBondContact O-CG1 3.11Å; L463-V493 HydrophobicContact CD1-CG2 4.03Å
494	F	98.2	Very high	85.4	Confident	3 Å²	3	38 Å²	38	1%	0.013	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.8	177	177.8	-107.3	0	0	0	110.4	W280 L325 F328 L388 L389 V461 S462 I464	W280-F494 HydrophobicContact CH2-CD1 4.19Å; W280-F494 AromaticContact CH2-CE1 3.89Å; W280-F494 HydrophobicContact CH2-CE1 3.89Å; W280-F494 AromaticContact CZ3-CD1 3.71Å; W280-F494 HydrophobicContact CZ3-CD1 3.71Å; W280-F494 AromaticContact CZ3-CE1 3.74Å; W280-F494 HydrophobicContact CZ3-CE1 3.74Å; L325-F494 HydrophobicContact CB-CD1 4.47Å; L325-F494 HydrophobicContact CB-CD2 4.34Å; L325-F494 HydrophobicContact CB-CE1 4.28Å; L325-F494 HydrophobicContact CB-CE2 4.14Å; L325-F494 HydrophobicContact CB-CG 4.5Å; L325-F494 HydrophobicContact CB-CZ 4.11Å; L325-F494 HydrophobicContact CD1-CB 4.06Å; L325-F494 HydrophobicContact CD1-CD2 3.74Å; L325-F494 HydrophobicContact CD1-CE2 4.31Å; L325-F494 HydrophobicContact CD1-CG 3.87Å; F328-F494 HydrophobicContact CD2-CD2 4.4Å; F328-F494 AromaticContact CD2-CE2 3.92Å; F328-F494 HydrophobicContact CD2-CE2 3.92Å; F328-F494 AromaticContact CE2-CE2 3.96Å; F328-F494 HydrophobicContact CE2-CE2 3.96Å; L388-F494 CarbonylContact O-C 3.57Å; L388-F494 WeakPolarHBondContact O-CA 3.22Å; L388-F494 WeakPolarHBondContact O-CD2 3.38Å; L389-F494 HydrophobicContact CD1-CB 4.21Å; L389-F494 HydrophobicContact CD1-CD2 4.23Å; V461-F494 CarbonylContact C-O 3.58Å; V461-F494 WeakPolarHBondContact CA-O 3.49Å; S462-F494 PolarHBondContact N-O 2.97Å; S462-F494 PolarHBondContact O-N 3.36Å; I464-F494 HydrophobicContact CD1-CB 3.49Å; I464-F494 VanDerWaalsContact CD1-CB 3.49Å
495	M	97.8	Very high	87.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.1	176.1	175.4	168.2	72.1	0	0	110.3	W250 S387 L388 L405 L409 S460 V461 A497	W250-M495 HydrophobicContact CD2-CE 4.33Å; W250-M495 HydrophobicContact CE3-CE 4.07Å; W250-M495 HydrophobicContact CH2-CE 3.32Å; W250-M495 HydrophobicContact CH2-SD 4.09Å; W250-M495 HydrophobicContact CZ2-CE 3.62Å; W250-M495 HydrophobicContact CZ2-SD 4.33Å; W250-M495 HydrophobicContact CZ3-CE 3.57Å; S387-M495 CarbonylContact C-O 3.6Å; S387-M495 WeakPolarHBondContact CA-O 3.19Å; S387-M495 WeakPolarHBondContact CB-O 3.49Å; L388-M495 HydrophobicContact CB-CB 4.33Å; L388-M495 HydrophobicContact CB-CE 4.1Å; L388-M495 HydrophobicContact CD1-CE 3.39Å; L388-M495 HydrophobicContact CD2-CE 3.6Å; L388-M495 HydrophobicContact CG-CE 3.86Å; L388-M495 PolarHBondContact N-O 3.2Å; L388-M495 PolarHBondContact O-N 3.02Å; L405-M495 HydrophobicContact CD2-CE 3.78Å; L405-M495 HydrophobicContact CD2-SD 4.21Å; L409-M495 HydrophobicContact CB-SD 3.99Å; L409-M495 HydrophobicContact CD1-CG 4.46Å; L409-M495 HydrophobicContact CD1-SD 3.89Å; L409-M495 HydrophobicContact CG-SD 4.4Å; S460-M495 CarbonylContact O-C 3.51Å; S460-M495 WeakPolarHBondContact O-CA 3.13Å; V461-M495 HydrophobicContact CG1-CB 4.48Å; V461-M495 HydrophobicContact CG2-CB 4.35Å; V461-M495 HydrophobicContact CG2-CG 3.99Å; V461-M495 HydrophobicContact CG2-SD 3.9Å; M495-A497 HydrophobicContact CG-CB 4.19Å; M495-A497 HydrophobicContact CE-CB 4.05Å; M495-A497 HydrophobicContact SD-CB 4.42Å
496	N	96.9	Very high	90	Very high	19 Å²	19	22.3 Å²	22.3	10%	0.102	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	99.5	158.1	178.5	6.8	0	0	0	107.3	Q385 A459 S460 W498	Q385-N496 VanDerWaalsContact CD-OD1 3.27Å; Q385-N496 VanDerWaalsContact CG-OD1 3.31Å; Q385-N496 WeakPolarHBondContact CG-OD1 3.42Å; Q385-N496 PolarHBondContact OE1-ND2 2.86Å; A459-N496 CarbonylContact C-O 3.54Å; A459-N496 VanDerWaalsContact CA-O 3.31Å; A459-N496 WeakPolarHBondContact CA-O 3.47Å; A459-N496 VanDerWaalsContact CB-O 3.26Å; A459-N496 WeakPolarHBondContact CB-O 3.47Å; S460-N496 PolarHBondContact N-O 2.79Å; S460-N496 PolarHBondContact O-N 2.91Å; N496-W498 PolarHBondContact OD1-O 3.39Å
497	A	95.9	Very high	91.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-35.7	-173.4	0	0	0	0	0	112.3	W250 I386 L388 L409 W413 A459 M495	W250-A497 HydrophobicContact CZ2-CB 4Å; I386-A497 PolarHBondContact O-N 3Å; L388-A497 HydrophobicContact CD1-CB 3.79Å; L409-A497 HydrophobicContact CD1-CB 4.42Å; W413-A497 PolarHBondContact NE1-O 3.39Å; A459-A497 WeakPolarHBondContact CB-O 3.5Å; M495-A497 HydrophobicContact CG-CB 4.19Å; M495-A497 HydrophobicContact CE-CB 4.05Å; M495-A497 HydrophobicContact SD-CB 4.42Å
498	W	95.8	Very high	93.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	133.1	-175.6	-177.7	92.3	0	0	0	110.5	H242 M243 V246 K384 Q385 I386 W413 Y416 N496 F500 L503	H242-W498 HydrophobicContact CB-CH2 4.31Å; H242-W498 HydrophobicContact CB-CZ2 3.74Å; M243-W498 HydrophobicContact CB-CH2 4.19Å; M243-W498 HydrophobicContact CB-CZ3 4.07Å; M243-W498 HydrophobicContact CG-CZ3 4.32Å; V246-W498 HydrophobicContact CG1-CB 3.83Å; V246-W498 HydrophobicContact CG1-CG 4.19Å; V246-W498 HydrophobicContact CG2-CG 4.22Å; K384-W498 HydrophobicContact CB-CZ3 4.42Å; Q385-W498 VanDerWaalsContact CA-O 3.31Å; Q385-W498 WeakPolarHBondContact CA-O 3.47Å; Q385-W498 WeakPolarHBondContact CG-O 3.41Å; I386-W498 PolarHBondContact N-O 3.5Å; W413-W498 AromaticContact CH2-CD1 3.95Å; W413-W498 AromaticContact CZ2-CD1 3.99Å; Y416-W498 AromaticContact CE2-NE1 3.67Å; Y416-W498 AromaticContact CZ-NE1 3.57Å; Y416-W498 PolarHBondContact OH-NE1 2.98Å; N496-W498 PolarHBondContact OD1-O 3.39Å; W498-F500 HydrophobicContact CZ2-CG 4.33Å; W498-F500 HydrophobicContact CZ3-CB 3.79Å; W498-F500 HydrophobicContact CZ2-CD2 3.6Å; W498-F500 AromaticContact CZ2-CD2 3.6Å; W498-F500 HydrophobicContact CZ2-CB 4.11Å; W498-F500 HydrophobicContact CH2-CG 3.86Å; W498-F500 AromaticContact CH2-CG 3.86Å; W498-F500 VanDerWaalsContact CH2-CD2 3.5Å; W498-F500 HydrophobicContact CH2-CD2 3.5Å; W498-F500 AromaticContact CH2-CD2 3.5Å; W498-F500 VanDerWaalsContact CH2-CB 3.46Å; W498-F500 HydrophobicContact CH2-CB 3.46Å; W498-L503 HydrophobicContact CZ2-CD2 4.03Å
499	N	94.7	Very high	93.8	Very high	11 Å²	11	23.1 Å²	23.1	6%	0.059	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.9	174	-178.7	-62	0	0	0	109.3	S383 K384 Q385 R501 C502 L503	S383-N499 PolarHBondContact OG-ND2 2.87Å; S383-N499 PolarHBondContact OG-OD1 3.45Å; K384-N499 WeakPolarHBondContact O-CA 3.48Å; Q385-N499 HydrophobicContact CG-CB 4.43Å; Q385-N499 PolarHBondContact OE1-ND2 2.8Å; N499-R501 VanDerWaalsContact C-N 3.31Å; N499-R501 PolarHBondContact O-N 2.8Å; N499-R501 WeakPolarHBondContact OD1-CA 3.01Å; N499-R501 WeakPolarHBondContact OD1-CB 2.98Å; N499-R501 PolarHBondContact OD1-N 3.44Å; N499-C502 HydrophobicContact CB-CB 4.18Å; N499-C502 PolarHBondContact O-N 2.89Å; N499-C502 PolarHBondContact OD1-N 3.43Å; N499-L503 PolarHBondContact O-N 3.32Å; N499-L503 VanDerWaalsContact O-N 3.16Å
500	F	93.8	Very high	93.7	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.022	11%	0.11	C	C	.	.	H	α-helix	trans	-64.6	-35.9	-174.6	-171	-120.4	0	0	0	112.5	Y231 L235 E239 K384 W498 L503 L504	Y231-F500 HydrophobicContact CD2-CD1 4.15Å; Y231-F500 AromaticContact CD2-CE1 3.73Å; Y231-F500 HydrophobicContact CD2-CE1 3.73Å; Y231-F500 AromaticContact CE2-CD1 3.59Å; Y231-F500 HydrophobicContact CE2-CD1 3.59Å; Y231-F500 AromaticContact CE2-CE1 3.54Å; Y231-F500 HydrophobicContact CE2-CE1 3.54Å; Y231-F500 HydrophobicContact CG-CE1 4.33Å; Y231-F500 AromaticContact CZ-CE1 3.97Å; L235-F500 HydrophobicContact CD1-CZ 3.99Å; L235-F500 HydrophobicContact CG-CZ 4.4Å; E239-F500 HydrophobicContact CB-CD1 3.97Å; E239-F500 HydrophobicContact CB-CD2 4.24Å; E239-F500 HydrophobicContact CB-CE1 3.61Å; E239-F500 HydrophobicContact CB-CE2 3.89Å; E239-F500 HydrophobicContact CB-CG 4.27Å; E239-F500 HydrophobicContact CB-CZ 3.56Å; E239-F500 HydrophobicContact CG-CB 4.39Å; E239-F500 HydrophobicContact CG-CD1 3.6Å; E239-F500 HydrophobicContact CG-CD2 4.11Å; E239-F500 HydrophobicContact CG-CE1 3.79Å; E239-F500 HydrophobicContact CG-CE2 4.28Å; E239-F500 HydrophobicContact CG-CG 3.77Å; E239-F500 HydrophobicContact CG-CZ 4.12Å; E239-F500 VanDerWaalsContact OE1-CD1 3.25Å; E239-F500 WeakPolarHBondContact OE1-CD1 3.42Å; K384-F500 HydrophobicContact CB-CB 4.33Å; K384-F500 PolarHBondContact O-N 3.33Å; W498-F500 HydrophobicContact CZ2-CG 4.33Å; W498-F500 HydrophobicContact CZ3-CB 3.79Å; W498-F500 HydrophobicContact CZ2-CD2 3.6Å; W498-F500 AromaticContact CZ2-CD2 3.6Å; W498-F500 HydrophobicContact CZ2-CB 4.11Å; W498-F500 HydrophobicContact CH2-CG 3.86Å; W498-F500 AromaticContact CH2-CG 3.86Å; W498-F500 VanDerWaalsContact CH2-CD2 3.5Å; W498-F500 HydrophobicContact CH2-CD2 3.5Å; W498-F500 AromaticContact CH2-CD2 3.5Å; W498-F500 VanDerWaalsContact CH2-CB 3.46Å; W498-F500 HydrophobicContact CH2-CB 3.46Å; F500-L503 HydrophobicContact CD2-CD2 4.11Å; F500-L503 HydrophobicContact CE2-CD2 4.25Å; F500-L503 WeakPolarHBondContact O-CB 3.36Å; F500-L503 PolarHBondContact O-N 2.81Å; F500-L504 HydrophobicContact CE1-CD1 4.4Å; F500-L504 HydrophobicContact CZ-CD1 4.36Å; F500-L504 WeakPolarHBondContact O-CB 3.19Å; F500-L504 PolarHBondContact O-N 3.11Å
501	R	91.2	Very high	93.6	Very high	73 Å²	73	25.1 Å²	25.1	28%	0.275	12%	0.123	S	C	.	.	H	α-helix	trans	-66.2	-44.7	179	-178.5	58.4	-176.8	-142.4	-7.7	111.8	S383 N499 L503 L504 D505	S383-R501 VanDerWaalsContact OG-CB 3.23Å; S383-R501 WeakPolarHBondContact OG-CB 3.33Å; S383-R501 PolarHBondContact OG-N 3.48Å; S383-R501 VanDerWaalsContact OG-N 3.12Å; N499-R501 VanDerWaalsContact C-N 3.31Å; N499-R501 PolarHBondContact O-N 2.8Å; N499-R501 WeakPolarHBondContact OD1-CA 3.01Å; N499-R501 WeakPolarHBondContact OD1-CB 2.98Å; N499-R501 PolarHBondContact OD1-N 3.44Å; R501-L503 VanDerWaalsContact C-N 3.27Å; R501-L503 PolarHBondContact O-N 2.87Å; R501-L504 PolarHBondContact O-N 2.96Å; R501-L504 VanDerWaalsContact O-N 3.09Å; R501-L504 WeakPolarHBondContact O-CB 3.42Å; R501-D505 IonicContact CZ-OD1 2.97Å; R501-D505 IonicContact NE-OD1 3.11Å; R501-D505 PolarHBondContact NE-OD1 2.88Å; R501-D505 IonicContact NE-OD2 3.27Å; R501-D505 PolarHBondContact NE-OD2 3.2Å; R501-D505 IonicContact NH2-OD1 4Å; R501-D505 VanDerWaalsContact O-CG 3.29Å; R501-D505 PolarHBondContact O-N 2.94Å
502	C	92.2	Very high	93.3	Very high	28 Å²	28	24 Å²	24	19%	0.189	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-40.6	174.3	-65.6	0	0	0	0	112.2	P457 N499 S506	P457-C502 VanDerWaalsContact O-CB 3.26Å; P457-C502 WeakPolarHBondContact O-CB 3.24Å; P457-C502 PolarHBondContact O-SG 3.24Å; P457-C502 VanDerWaalsContact O-SG 3.41Å; N499-C502 HydrophobicContact CB-CB 4.18Å; N499-C502 PolarHBondContact O-N 2.89Å; N499-C502 PolarHBondContact OD1-N 3.43Å; C502-S506 WeakPolarHBondContact O-CB 3.41Å; C502-S506 PolarHBondContact O-OG 3.47Å; C502-S506 PolarHBondContact O-N 3.3Å; C502-S506 VanDerWaalsContact O-N 3.16Å
503	L	92.3	Very high	93	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-63.6	-45.2	173.7	-176.9	77.4	0	0	0	111.2	W413 Y416 W420 W498 N499 F500 R501 S506 F507 M513	W413-L503 HydrophobicContact CH2-CD1 4.32Å; W413-L503 HydrophobicContact CZ3-CD1 4.32Å; Y416-L503 HydrophobicContact CE1-CD1 4.06Å; Y416-L503 WeakPolarHBondContact OH-CD2 3.32Å; W420-L503 HydrophobicContact CH2-CD1 3.81Å; W420-L503 HydrophobicContact CH2-CG 4.43Å; W420-L503 HydrophobicContact CZ3-CD1 3.8Å; W498-L503 HydrophobicContact CZ2-CD2 4.03Å; N499-L503 PolarHBondContact O-N 3.32Å; N499-L503 VanDerWaalsContact O-N 3.16Å; F500-L503 HydrophobicContact CD2-CD2 4.11Å; F500-L503 HydrophobicContact CE2-CD2 4.25Å; F500-L503 WeakPolarHBondContact O-CB 3.36Å; F500-L503 PolarHBondContact O-N 2.81Å; R501-L503 VanDerWaalsContact C-N 3.27Å; R501-L503 PolarHBondContact O-N 2.87Å; L503-S506 WeakPolarHBondContact O-CB 3.37Å; L503-S506 PolarHBondContact O-N 2.81Å; L503-F507 WeakPolarHBondContact O-CB 3.38Å; L503-F507 PolarHBondContact O-N 3.18Å; L503-M513 HydrophobicContact CD1-SD 4.14Å; L503-M513 HydrophobicContact CD2-SD 4.13Å; L503-M513 HydrophobicContact CG-SD 4.3Å
504	L	91.6	Very high	92.5	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-64	-45	-179.8	-166.4	80	0	0	0	112	W215 I222 Y231 L235 F500 R501 S506 F507 K508	W215-L504 HydrophobicContact CH2-CD1 4Å; W215-L504 HydrophobicContact CH2-CD2 4.49Å; W215-L504 HydrophobicContact CH2-CG 4.08Å; W215-L504 HydrophobicContact CZ3-CD1 3.58Å; W215-L504 HydrophobicContact CZ3-CG 4.06Å; I222-L504 HydrophobicContact CD1-CD2 3.99Å; Y231-L504 HydrophobicContact CE1-CD2 3.87Å; L235-L504 HydrophobicContact CD1-CD1 3.71Å; L235-L504 HydrophobicContact CD2-CD1 4.06Å; L235-L504 HydrophobicContact CG-CD1 4.41Å; F500-L504 HydrophobicContact CE1-CD1 4.4Å; F500-L504 HydrophobicContact CZ-CD1 4.36Å; F500-L504 WeakPolarHBondContact O-CB 3.19Å; F500-L504 PolarHBondContact O-N 3.11Å; R501-L504 PolarHBondContact O-N 2.96Å; R501-L504 VanDerWaalsContact O-N 3.09Å; R501-L504 WeakPolarHBondContact O-CB 3.42Å; L504-S506 VanDerWaalsContact C-N 3.28Å; L504-S506 PolarHBondContact O-N 2.87Å; L504-F507 PolarHBondContact O-N 3.09Å; L504-K508 WeakPolarHBondContact O-CB 3.49Å; L504-K508 PolarHBondContact O-N 3.03Å
505	D	91.3	Very high	91.4	Very high	50 Å²	50	26.8 Å²	26.8	27%	0.267	13%	0.133	S	C	.	.	H	α-helix	trans	-61.7	-40.6	178.2	-68.5	-28.5	0	0	0	110.4	I456 R501 Q509	I456-D505 HydrophobicContact CD1-CB 4.36Å; R501-D505 IonicContact CZ-OD1 2.97Å; R501-D505 IonicContact NE-OD1 3.11Å; R501-D505 PolarHBondContact NE-OD1 2.88Å; R501-D505 IonicContact NE-OD2 3.27Å; R501-D505 PolarHBondContact NE-OD2 3.2Å; R501-D505 IonicContact NH2-OD1 4Å; R501-D505 VanDerWaalsContact O-CG 3.29Å; R501-D505 PolarHBondContact O-N 2.94Å; D505-Q509 PolarHBondContact O-N 2.61Å; D505-Q509 VanDerWaalsContact O-N 3.11Å
506	S	91.5	Very high	89.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-45.6	173	-60.7	0	0	0	0	112.2	W420 T444 I456 L458 C502 L503 L504 K508 Q509 I510	W420-S506 VanDerWaalsContact CZ3-CB 3.41Å; T444-S506 WeakPolarHBondContact CG2-OG 3.44Å; I456-S506 WeakPolarHBondContact CB-OG 2.95Å; I456-S506 WeakPolarHBondContact CG2-OG 3.28Å; L458-S506 WeakPolarHBondContact CD2-OG 3.48Å; C502-S506 WeakPolarHBondContact O-CB 3.41Å; C502-S506 PolarHBondContact O-OG 3.47Å; C502-S506 PolarHBondContact O-N 3.3Å; C502-S506 VanDerWaalsContact O-N 3.16Å; L503-S506 WeakPolarHBondContact O-CB 3.37Å; L503-S506 PolarHBondContact O-N 2.81Å; L504-S506 VanDerWaalsContact C-N 3.28Å; L504-S506 PolarHBondContact O-N 2.87Å; S506-K508 VanDerWaalsContact C-N 3.32Å; S506-K508 PolarHBondContact O-N 3.02Å; S506-Q509 PolarHBondContact O-N 3.24Å; S506-I510 PolarHBondContact O-N 3.18Å; S506-I510 WeakPolarHBondContact O-CG1 3.22Å; S506-I510 VanDerWaalsContact O-CG1 3.22Å; S506-I510 WeakPolarHBondContact O-CB 3.47Å; S506-I510 VanDerWaalsContact O-CB 3.29Å; S506-I510 WeakPolarHBondContact O-CD1 3.29Å
507	F	91.7	Very high	87.3	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-62.1	-40.4	178.8	178.2	-152.4	0	0	0	111.8	V213 W215 L218 W420 L503 L504 G511 Y512 M513	V213-F507 HydrophobicContact CG1-CZ 4.15Å; V213-F507 WeakPolarHBondContact O-CE2 3.23Å; W215-F507 HydrophobicContact CB-CD2 4.23Å; W215-F507 HydrophobicContact CB-CE2 3.88Å; W215-F507 HydrophobicContact CB-CZ 4.13Å; W215-F507 AromaticContact CE3-CD1 3.62Å; W215-F507 HydrophobicContact CE3-CD1 3.62Å; W215-F507 AromaticContact CE3-CE1 3.67Å; W215-F507 HydrophobicContact CE3-CE1 3.67Å; W215-F507 HydrophobicContact CE3-CG 4.15Å; W215-F507 HydrophobicContact CE3-CZ 4.22Å; W215-F507 HydrophobicContact CZ3-CD1 4.04Å; W215-F507 HydrophobicContact CZ3-CE1 4.28Å; W215-F507 VanDerWaalsContact N-CE2 3.35Å; L218-F507 HydrophobicContact CD1-CE1 3.84Å; L218-F507 HydrophobicContact CD1-CZ 4.07Å; W420-F507 HydrophobicContact CH2-CB 3.97Å; W420-F507 HydrophobicContact CZ2-CB 3.96Å; L503-F507 WeakPolarHBondContact O-CB 3.38Å; L503-F507 PolarHBondContact O-N 3.18Å; L504-F507 PolarHBondContact O-N 3.09Å; F507-G511 WeakPolarHBondContact O-CA 3.49Å; F507-G511 PolarHBondContact O-N 3.02Å; F507-Y512 VanDerWaalsContact CD2-C 3.42Å; F507-Y512 VanDerWaalsContact CE2-C 3.46Å; F507-M513 HydrophobicContact CD2-CB 3.85Å; F507-M513 HydrophobicContact CE2-CB 3.99Å; F507-M513 HydrophobicContact CG-CB 4.29Å
508	K	91.4	Very high	84.6	Confident	130 Å²	130	34.2 Å²	34.2	57%	0.565	18%	0.181	S	C	*	.	H	α-helix	trans	-62.5	-46.6	175.6	179.6	176.5	179.1	-176.4	0	112	W215 L504 S506	W215-K508 HydrophobicContact CD2-CB 4.17Å; W215-K508 HydrophobicContact CD2-CG 4.46Å; W215-K508 HydrophobicContact CH2-CB 4.28Å; W215-K508 HydrophobicContact CZ2-CB 3.98Å; W215-K508 HydrophobicContact CZ2-CD 3.95Å; W215-K508 HydrophobicContact CZ2-CG 3.88Å; L504-K508 WeakPolarHBondContact O-CB 3.49Å; L504-K508 PolarHBondContact O-N 3.03Å; S506-K508 VanDerWaalsContact C-N 3.32Å; S506-K508 PolarHBondContact O-N 3.02Å
509	Q	90.3	Very high	81.8	Confident	83 Å²	83	38.9 Å²	38.9	39%	0.388	21%	0.209	S	C	.	.	H	α-helix	trans	-73.6	-36.5	-179.1	-69.7	-168.6	16.3	0	0	113.1	I454 I456 D505 S506	I454-Q509 HydrophobicContact CD1-CB 4.06Å; I454-Q509 HydrophobicContact CG1-CB 4.4Å; I454-Q509 HydrophobicContact CG2-CB 4.26Å; I456-Q509 HydrophobicContact CD1-CB 4.37Å; I456-Q509 HydrophobicContact CD1-CG 4.18Å; D505-Q509 PolarHBondContact O-N 2.61Å; D505-Q509 VanDerWaalsContact O-N 3.11Å; S506-Q509 PolarHBondContact O-N 3.24Å
510	I	89.5	Confident	79.2	Confident	25 Å²	25	42.3 Å²	42.3	13%	0.128	23%	0.228	C	C	.	.	H	α-helix	trans	-80.7	-30	-179.6	-63.3	165.9	0	0	0	111.6	W420 T444 M446 I454 S506 Y512	W420-I510 HydrophobicContact CB-CD1 4.33Å; W420-I510 HydrophobicContact CD2-CD1 3.5Å; W420-I510 HydrophobicContact CE3-CD1 3.92Å; W420-I510 HydrophobicContact CG-CD1 3.67Å; W420-I510 HydrophobicContact CZ2-CD1 4.31Å; W420-I510 HydrophobicContact CZ3-CD1 4.48Å; T444-I510 HydrophobicContact CG2-CD1 4.22Å; M446-I510 HydrophobicContact CB-CD1 4.25Å; M446-I510 HydrophobicContact CB-CG1 4.25Å; M446-I510 HydrophobicContact CE-CG2 3.96Å; M446-I510 HydrophobicContact CG-CD1 3.86Å; M446-I510 HydrophobicContact CG-CG1 4.34Å; I454-I510 HydrophobicContact CD1-CG1 3.81Å; I454-I510 HydrophobicContact CG2-CG1 4.43Å; S506-I510 PolarHBondContact O-N 3.18Å; S506-I510 WeakPolarHBondContact O-CG1 3.22Å; S506-I510 VanDerWaalsContact O-CG1 3.22Å; S506-I510 WeakPolarHBondContact O-CB 3.47Å; S506-I510 VanDerWaalsContact O-CB 3.29Å; S506-I510 WeakPolarHBondContact O-CD1 3.29Å; I510-Y512 PolarHBondContact O-N 2.93Å; I510-Y512 HydrophobicContact CG2-CE1 3.71Å; I510-Y512 HydrophobicContact CG2-CD1 3.98Å
511	G	90.1	Very high	76.8	Confident	27 Å²	27	43.7 Å²	43.7	28%	0.278	24%	0.235	S	C	.	.			trans	88.2	-11.1	175.2	0	0	0	0	0	115.8	F214 W215 F507	F214-G511 WeakPolarHBondContact CA-O 3.49Å; W215-G511 PolarHBondContact N-O 3.13Å; F507-G511 WeakPolarHBondContact O-CA 3.49Å; F507-G511 PolarHBondContact O-N 3.02Å
512	Y	90.1	Very high	74.2	Confident	35 Å²	35	50.1 Å²	50.1	14%	0.137	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.2	175.2	74	-84.1	0	0	0	111.8	K205 K212 V213 G419 W420 F507 I510	K205-Y512 PolarHBondContact NZ-OH 2.93Å; K212-Y512 HydrophobicContact CD-CD2 3.83Å; K212-Y512 HydrophobicContact CD-CE2 4.31Å; K212-Y512 HydrophobicContact CD-CG 4.28Å; K212-Y512 HydrophobicContact CG-CD2 4.18Å; V213-Y512 CarbonylContact O-C 3.59Å; V213-Y512 VanDerWaalsContact O-CA 3.23Å; V213-Y512 WeakPolarHBondContact O-CA 3.37Å; G419-Y512 PolarHBondContact O-OH 2.95Å; W420-Y512 PolarHBondContact NE1-O 2.81Å; F507-Y512 VanDerWaalsContact CD2-C 3.42Å; F507-Y512 VanDerWaalsContact CE2-C 3.46Å; I510-Y512 PolarHBondContact O-N 2.93Å; I510-Y512 HydrophobicContact CG2-CE1 3.71Å; I510-Y512 HydrophobicContact CG2-CD1 3.98Å
513	M	89.2	Confident	73.3	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.02	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.7	167.7	-172.9	178.2	60.9	0	0	108.6	K212 V213 L238 H242 P418 W420 L503 F507 E515	K212-M513 WeakPolarHBondContact CA-O 3.49Å; V213-M513 PolarHBondContact N-O 3.24Å; V213-M513 PolarHBondContact O-N 2.77Å; L238-M513 HydrophobicContact CD2-CE 4.44Å; H242-M513 VanDerWaalsContact CE1-CE 3.47Å; H242-M513 WeakPolarHBondContact CE1-CE 3.25Å; P418-M513 HydrophobicContact CB-CG 4.14Å; P418-M513 WeakPolarHBondContact O-CA 3.36Å; P418-M513 WeakPolarHBondContact O-CG 3.49Å; W420-M513 HydrophobicContact CZ2-CB 3.95Å; W420-M513 HydrophobicContact CZ2-CG 4.01Å; L503-M513 HydrophobicContact CD1-SD 4.14Å; L503-M513 HydrophobicContact CD2-SD 4.13Å; L503-M513 HydrophobicContact CG-SD 4.3Å; F507-M513 HydrophobicContact CD2-CB 3.85Å; F507-M513 HydrophobicContact CE2-CB 3.99Å; F507-M513 HydrophobicContact CG-CB 4.29Å; M513-E515 PolarHBondContact O-N 2.88Å
514	N	86.1	Confident	72.3	Confident	16 Å²	16	53.7 Å²	53.7	9%	0.086	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	131.4	170	-78.6	-8	0	0	0	110.1	S210 P418 G419 Y516	S210-N514 PolarHBondContact OG-ND2 2.86Å; S210-N514 PolarHBondContact OG-OD1 3.43Å; P418-N514 PolarHBondContact O-N 2.81Å; G419-N514 VanDerWaalsContact CA-CG 3.43Å; G419-N514 WeakPolarHBondContact CA-ND2 3.47Å; N514-Y516 PolarHBondContact O-N 3.12Å
515	E	75.9	Confident	71.2	Confident	44 Å²	44	56.4 Å²	56.4	21%	0.206	31%	0.307	C	S	.	.			trans	-70.7	123.8	169.5	-159.6	172.1	-175.8	0	0	107.8	K211 V213 R234 M513 S517	K211-E515 HydrophobicContact CB-CB 4.19Å; K211-E515 WeakPolarHBondContact CD-OE2 3.34Å; K211-E515 WeakPolarHBondContact CE-OE2 3.48Å; K211-E515 HydrophobicContact CG-CB 4.45Å; K211-E515 WeakPolarHBondContact CG-OE2 3.43Å; K211-E515 IonicContact NZ-OE1 3.6Å; K211-E515 PolarHBondContact NZ-OE1 2.96Å; K211-E515 IonicContact NZ-OE2 3.34Å; K211-E515 PolarHBondContact NZ-OE2 3.02Å; K211-E515 WeakPolarHBondContact O-CB 3.24Å; K211-E515 PolarHBondContact O-N 3.39Å; V213-E515 HydrophobicContact CG2-CB 3.68Å; V213-E515 HydrophobicContact CG2-CG 3.72Å; R234-E515 IonicContact CZ-OE1 2.99Å; R234-E515 IonicContact NH2-OE1 3.29Å; R234-E515 PolarHBondContact NH2-OE1 2.91Å; M513-E515 PolarHBondContact O-N 2.88Å; E515-S517 PolarHBondContact O-N 2.93Å
516	Y	65.2	Low	70	Confident	34 Å²	34	56.8 Å²	56.8	13%	0.133	31%	0.31	C	S	.	.			trans	-65.8	99.5	175.4	-100.5	-82.8	0	0	0	110.4	H242 Y416 N514 S518 M521	H242-Y516 AromaticContact CE1-CD2 3.48Å; H242-Y516 VanDerWaalsContact CE1-CD2 3.48Å; H242-Y516 WeakPolarHBondContact CE1-CD2 3.01Å; H242-Y516 AromaticContact CE1-CE2 3.73Å; H242-Y516 AromaticContact NE2-CD2 3.47Å; H242-Y516 WeakPolarHBondContact NE2-CD2 3.32Å; Y416-Y516 VanDerWaalsContact C-OH 3.24Å; Y416-Y516 WeakPolarHBondContact CA-OH 3.37Å; Y416-Y516 WeakPolarHBondContact CB-OH 3.35Å; Y416-Y516 HydrophobicContact CD1-CE2 4.28Å; Y416-Y516 WeakPolarHBondContact CD1-OH 3.5Å; Y416-Y516 HydrophobicContact CD2-CE2 4.12Å; Y416-Y516 AromaticContact CD2-CZ 3.75Å; Y416-Y516 WeakPolarHBondContact CD2-OH 3.5Å; Y416-Y516 HydrophobicContact CE1-CE2 4.07Å; Y416-Y516 AromaticContact CE2-CE2 3.81Å; Y416-Y516 HydrophobicContact CE2-CE2 3.81Å; Y416-Y516 AromaticContact CE2-CZ 3.9Å; Y416-Y516 WeakPolarHBondContact CE2-OH 3.39Å; Y416-Y516 HydrophobicContact CG-CE2 4.29Å; Y416-Y516 AromaticContact CG-CZ 3.89Å; Y416-Y516 AromaticContact CZ-CE2 3.8Å; Y416-Y516 WeakPolarHBondContact O-CE2 3.43Å; Y416-Y516 PolarHBondContact O-OH 3.35Å; N514-Y516 PolarHBondContact O-N 3.12Å; Y516-S518 PolarHBondContact O-N 2.93Å; Y516-M521 HydrophobicContact CE1-CE 4.16Å; Y516-M521 HydrophobicContact CE1-CG 4.1Å; Y516-M521 WeakPolarHBondContact OH-CE 3.49Å
517	S	43.2	Very low	68.7	Low	62 Å²	62	60.3 Å²	60.3	43%	0.434	33%	0.329	S	S	.	.			trans	-63.9	129.4	158.8	61	0	0	0	0	107.2	E515 T519 N520	E515-S517 PolarHBondContact O-N 2.93Å; S517-T519 PolarHBondContact O-N 2.79Å; S517-T519 PolarHBondContact OG-OG1 3.48Å; S517-N520 PolarHBondContact O-N 3.06Å
518	S	39.6	Very low	67.1	Low	78 Å²	78	64.1 Å²	64.1	55%	0.545	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-48.4	-22.7	178.3	41.5	0	0	0	0	113.8	Y516 N520	Y516-S518 PolarHBondContact O-N 2.93Å; S518-N520 VanDerWaalsContact C-N 3.34Å; S518-N520 PolarHBondContact O-N 3.41Å
519	T	36.3	Very low	65.4	Low	98 Å²	98	59.4 Å²	59.4	60%	0.601	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-68.4	-16.3	-173.5	54.6	0	0	0	0	117	S517	S517-T519 PolarHBondContact O-N 2.79Å; S517-T519 PolarHBondContact OG-OG1 3.48Å
520	N	40.9	Very low	63.5	Low	83 Å²	83	57.5 Å²	57.5	44%	0.444	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-96.3	-3	-169.6	-77	5.3	0	0	0	115	H415 S517 S518	H415-N520 PolarHBondContact CE1-O 2.9Å; H415-N520 PolarHBondContact ND1-O 2.95Å; H415-N520 PolarHBondContact NE2-O 3.2Å; S517-N520 PolarHBondContact O-N 3.06Å; S518-N520 VanDerWaalsContact C-N 3.34Å; S518-N520 PolarHBondContact O-N 3.41Å
521	M	44.2	Very low	61.3	Low	34 Å²	34	60.3 Å²	60.3	17%	0.167	35%	0.347	C	S	.	.			trans	-124.7	4.1	-177.1	-81.5	-104.7	-133.6	0	0	114.3	K245 Y249 F412 H415 Y416 Y516	K245-M521 HydrophobicContact CB-CE 4.21Å; Y249-M521 HydrophobicContact CD2-SD 3.95Å; F412-M521 HydrophobicContact CE2-CE 4.36Å; H415-M521 PolarHBondContact CD2-SD 2.92Å; H415-M521 WeakPolarHBondContact NE2-CA 3.3Å; Y416-M521 HydrophobicContact CD2-CE 4.13Å; Y516-M521 HydrophobicContact CE1-CE 4.16Å; Y516-M521 HydrophobicContact CE1-CG 4.1Å; Y516-M521 WeakPolarHBondContact OH-CE 3.49Å
522	D	34.7	Very low	58.7	Low	208 Å²	208	63.3 Å²	63.3	100%	1.112	35%	0.353	S	S	*	.			trans	-94.5	0	178.4	-71.5	-20.7	0	0	0	112

Retrieved 522 of 522 residues in 1306.9 ms (Link to these results)

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