A0A087XYA0_POEFO Loading...

Growth differentiation factor 9

AlphaFold DB , UniProt , Accession A0A087XYA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 427 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.7	Very low	46.8	Very low	240 Å²	240	138.8 Å²	138.8	100%	1.182	74%	0.738	S	S	*	*				0	62.6	0	-73.9	159.2	69.1	0	0	111.5
2	M	45.2	Very low	47.3	Very low	173 Å²	173	134.3 Å²	134.3	85%	0.852	72%	0.719	S	S	*	*			trans	-139.2	6.9	174.1	-71.6	-171	108.4	0	0	114.3
3	G	44.7	Very low	47.2	Very low	68 Å²	68	126.5 Å²	126.5	70%	0.701	69%	0.69	S	S	*	*	S	Bend	trans	-93.3	-10.1	-178	0	0	0	0	0	116.2
4	K	45.3	Very low	47.3	Very low	189 Å²	189	131.7 Å²	131.7	82%	0.822	69%	0.694	S	S	*	*	S	Bend	trans	-101.4	-15.2	-176.1	-78.3	-176.3	173.1	-178.3	0	114.8
5	Q	44.9	Very low	47	Very low	155 Å²	155	130.2 Å²	130.2	72%	0.724	69%	0.686	S	S	*	*	H	α-helix	trans	-82.8	-27.4	177.3	-87	173.9	-4.6	0	0	113.3	L7	Q5-L7 VanDerWaalsContact C-N 3.35Å
6	M	45.7	Very low	46.8	Very low	159 Å²	159	129.4 Å²	129.4	78%	0.783	68%	0.682	S	S	*	*	H	α-helix	trans	-75	-24.4	178.8	-128.8	159.8	85.2	0	0	113.1
7	L	46.1	Very low	46.6	Very low	130 Å²	130	128.9 Å²	128.9	68%	0.681	68%	0.679	S	S	*	*	H	α-helix	trans	-77.8	-31.7	177.7	-143.8	80.7	0	0	0	112.4	Q5 V11	Q5-L7 VanDerWaalsContact C-N 3.35Å; L7-V11 VanDerWaalsContact O-CG2 3.3Å; L7-V11 WeakPolarHBondContact O-CG2 3.4Å; L7-V11 PolarHBondContact O-N 3.17Å
8	M	46.3	Very low	46.4	Very low	136 Å²	136	128.3 Å²	128.3	67%	0.67	68%	0.675	S	S	*	*	H	α-helix	trans	-74.5	-31.8	179.1	-71.3	-70.4	-90.8	0	0	112.5	V12	M8-V12 VanDerWaalsContact O-CG2 3.27Å; M8-V12 WeakPolarHBondContact O-CG2 3.46Å; M8-V12 PolarHBondContact O-N 2.88Å
9	L	45.6	Very low	46.1	Very low	134 Å²	134	128.7 Å²	128.7	70%	0.702	68%	0.677	S	S	*	*	H	α-helix	trans	-71.9	-33.3	175.1	-83.3	154.2	0	0	0	112.7	G13	L9-G13 PolarHBondContact O-N 3.25Å; L9-G13 VanDerWaalsContact O-N 3.08Å
10	A	49.3	Very low	45.8	Very low	59 Å²	59	126.3 Å²	126.3	49%	0.488	68%	0.676	S	S	.	*	H	α-helix	trans	-70.4	-37.2	175.6	0	0	0	0	0	112.6	W14	A10-W14 PolarHBondContact O-N 2.94Å; A10-W14 VanDerWaalsContact O-N 3.08Å
11	V	51.4	Low	45.6	Very low	84 Å²	84	125 Å²	125	51%	0.509	68%	0.677	S	S	.	*	H	α-helix	trans	-73.6	-36.6	179.5	176.1	0	0	0	0	111.8	L7 L15	L7-V11 VanDerWaalsContact O-CG2 3.3Å; L7-V11 WeakPolarHBondContact O-CG2 3.4Å; L7-V11 PolarHBondContact O-N 3.17Å; V11-L15 PolarHBondContact O-N 3.39Å
12	V	53.4	Low	44.9	Very low	85 Å²	85	118.8 Å²	118.8	52%	0.515	66%	0.656	S	S	.	*	H	α-helix	trans	-72.3	-35.5	175.6	176.8	0	0	0	0	111.4	M8 L15 L16	M8-V12 VanDerWaalsContact O-CG2 3.27Å; M8-V12 WeakPolarHBondContact O-CG2 3.46Å; M8-V12 PolarHBondContact O-N 2.88Å; V12-L15 PolarHBondContact O-N 3.38Å; V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 PolarHBondContact O-N 3.18Å; V12-L16 VanDerWaalsContact O-N 3.07Å
13	G	46.2	Very low	44.5	Very low	33 Å²	33	115.5 Å²	115.5	34%	0.34	65%	0.65	S	S	.	*	H	α-helix	trans	-65.5	-38.4	173.5	0	0	0	0	0	113.5	L9 L17	L9-G13 PolarHBondContact O-N 3.25Å; L9-G13 VanDerWaalsContact O-N 3.08Å; G13-L17 PolarHBondContact O-N 3.17Å; G13-L17 VanDerWaalsContact O-N 3.15Å
14	W	47.6	Very low	44.2	Very low	199 Å²	199	117.6 Å²	117.6	75%	0.754	65%	0.651	S	S	*	*	H	α-helix	trans	-72.6	-33.6	173.7	-88.6	19.5	0	0	0	113.3	A10 L17 I18	A10-W14 PolarHBondContact O-N 2.94Å; A10-W14 VanDerWaalsContact O-N 3.08Å; W14-L17 PolarHBondContact O-N 2.67Å; W14-I18 VanDerWaalsContact O-CG1 3.27Å; W14-I18 WeakPolarHBondContact O-CG1 3.42Å; W14-I18 PolarHBondContact O-N 2.92Å; W14-I18 VanDerWaalsContact O-N 3.15Å
15	L	43.9	Very low	43.6	Very low	109 Å²	109	113.9 Å²	113.9	57%	0.571	65%	0.646	S	S	*	*	H	α-helix	trans	-67.7	-36.3	174.4	-122.5	83.6	0	0	0	112.6	V11 V12 L19	V11-L15 PolarHBondContact O-N 3.39Å; V12-L15 PolarHBondContact O-N 3.38Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 3.39Å
16	L	43.3	Very low	43	Very low	117 Å²	117	115.1 Å²	115.1	61%	0.613	66%	0.657	S	S	*	*	H	α-helix	trans	-74.2	-31.1	177.1	-87.5	155	0	0	0	113.1	V12 A20	V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 PolarHBondContact O-N 3.18Å; V12-L16 VanDerWaalsContact O-N 3.07Å; L16-A20 PolarHBondContact O-N 3.07Å
17	L	42.7	Very low	42.3	Very low	121 Å²	121	111.9 Å²	111.9	63%	0.634	65%	0.646	S	S	*	*	H	α-helix	trans	-72.3	-30.6	173.2	-88.5	158.2	0	0	0	112.9	G13 W14	G13-L17 PolarHBondContact O-N 3.17Å; G13-L17 VanDerWaalsContact O-N 3.15Å; W14-L17 PolarHBondContact O-N 2.67Å
18	I	43.6	Very low	41.6	Very low	118 Å²	118	108.6 Å²	108.6	61%	0.605	63%	0.634	S	S	*	*	H	α-helix	trans	-78.5	-28.8	176.5	-66.3	170.4	0	0	0	111.7	W14 A20	W14-I18 VanDerWaalsContact O-CG1 3.27Å; W14-I18 WeakPolarHBondContact O-CG1 3.42Å; W14-I18 PolarHBondContact O-N 2.92Å; W14-I18 VanDerWaalsContact O-N 3.15Å; I18-A20 VanDerWaalsContact C-N 3.33Å
19	L	40.8	Very low	41	Very low	136 Å²	136	108.3 Å²	108.3	71%	0.712	64%	0.642	S	S	*	*	H	α-helix	trans	-78.8	-13.8	175.3	-71.9	169.4	0	0	0	113.7	L15	L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 3.39Å
20	A	40.7	Very low	40.5	Very low	81 Å²	81	105.8 Å²	105.8	67%	0.669	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-6.9	178.5	0	0	0	0	0	114.6	L16 I18	L16-A20 PolarHBondContact O-N 3.07Å; I18-A20 VanDerWaalsContact C-N 3.33Å
21	S	40.6	Very low	39.5	Very low	98 Å²	98	107.5 Å²	107.5	69%	0.685	64%	0.637	S	S	*	*	S	Bend	trans	-111.3	12.6	-176.4	62.9	0	0	0	0	115.1
22	C	35	Very low	38.6	Very low	110 Å²	110	107.4 Å²	107.4	74%	0.743	65%	0.645	S	S	*	*			trans	-136.1	66.9	178.5	-146.3	0	0	0	0	111.8
23	S	37	Very low	37.7	Very low	105 Å²	105	108.5 Å²	108.5	73%	0.734	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-98.6	122	155	-59.2	0	0	0	0	107.1
24	P	38.3	Very low	37	Very low	112 Å²	112	113.6 Å²	113.6	73%	0.727	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-65.6	140.3	168.7	29	-30.6	0	0	0	107.6	L26	P24-L26 PolarHBondContact O-N 2.95Å
25	P	32.5	Very low	36.3	Very low	110 Å²	110	109.9 Å²	109.9	71%	0.714	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-62.8	130.7	170.5	26.9	-29.6	0	0	0	107.2	V27	P25-V27 HydrophobicContact CB-CG2 4.4Å; P25-V27 HydrophobicContact CG-CG2 4.17Å; P25-V27 PolarHBondContact O-N 3.43Å
26	L	33.6	Very low	35.9	Very low	181 Å²	181	109.4 Å²	109.4	95%	0.948	65%	0.654	S	S	*	*			trans	-67.6	85.3	170.7	-156	81.8	0	0	0	107	P24 S28	P24-L26 PolarHBondContact O-N 2.95Å; L26-S28 PolarHBondContact O-N 3.29Å
27	V	30.5	Very low	35.4	Very low	91 Å²	91	108.5 Å²	108.5	55%	0.552	66%	0.658	S	S	*	*			trans	-73.1	109.5	177.8	177.3	0	0	0	0	107.6	P25 D31	P25-V27 HydrophobicContact CB-CG2 4.4Å; P25-V27 HydrophobicContact CG-CG2 4.17Å; P25-V27 PolarHBondContact O-N 3.43Å; V27-D31 HydrophobicContact CG1-CB 3.99Å
28	S	31.7	Very low	34.9	Very low	61 Å²	61	106.2 Å²	106.2	43%	0.427	66%	0.656	S	S	.	*			trans	-51.1	145.3	164.4	23.4	0	0	0	0	110.6	L26 S30 D31	L26-S28 PolarHBondContact O-N 3.29Å; S28-S30 PolarHBondContact O-N 2.78Å; S28-D31 PolarHBondContact O-N 2.74Å
29	P	34.3	Very low	34.4	Very low	130 Å²	130	107.3 Å²	107.3	84%	0.844	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	8.2	-173.7	27.3	-33.9	0	0	0	114.9
30	S	34.2	Very low	34	Very low	82 Å²	82	106.6 Å²	106.6	57%	0.573	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-27.9	-179.7	-40.6	0	0	0	0	113.2	S28	S28-S30 PolarHBondContact O-N 2.78Å
31	D	28.4	Very low	33.7	Very low	94 Å²	94	112.7 Å²	112.7	50%	0.503	67%	0.671	S	S	.	*	G	3₁₀ helix	trans	-91.7	-12	-170.2	-69	-41.6	0	0	0	114.5	V27 S28 L33	V27-D31 HydrophobicContact CG1-CB 3.99Å; S28-D31 PolarHBondContact O-N 2.74Å; D31-L33 PolarHBondContact O-N 3.07Å
32	A	32.3	Very low	33.4	Very low	82 Å²	82	113 Å²	113	68%	0.678	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-69.2	-9.5	174.7	0	0	0	0	0	113.5
33	L	35.2	Very low	33.4	Very low	108 Å²	108	115.4 Å²	115.4	57%	0.565	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-95	-14.9	-174.8	-153.9	75.2	0	0	0	113.9	D31 W62	D31-L33 PolarHBondContact O-N 3.07Å; L33-W62 HydrophobicContact CD1-CZ3 3.82Å; L33-W62 HydrophobicContact CG-CE3 4.42Å; L33-W62 HydrophobicContact CG-CZ3 4.15Å
34	H	32	Very low	33.3	Very low	141 Å²	141	115 Å²	115	65%	0.653	66%	0.663	S	S	*	*	S	Bend	trans	-91.9	-8.3	-171.3	-81	-63.2	0	0	0	115.5
35	N	31.1	Very low	33.6	Very low	121 Å²	121	114.5 Å²	114.5	65%	0.647	66%	0.662	S	S	*	*			trans	-110.6	32.7	-175.2	-86.3	-24.5	0	0	0	114.8	S37	N35-S37 PolarHBondContact O-N 2.87Å
36	L	36	Very low	34.2	Very low	98 Å²	98	114.7 Å²	114.7	51%	0.513	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-72	-13	170	-107.9	79.6	0	0	0	113.5	A38 W62	L36-A38 VanDerWaalsContact C-N 3.35Å; L36-W62 HydrophobicContact CD1-CZ3 4.1Å; L36-W62 HydrophobicContact CD2-CE3 4.42Å; L36-W62 HydrophobicContact CD2-CH2 3.76Å; L36-W62 HydrophobicContact CD2-CZ2 4.35Å; L36-W62 HydrophobicContact CD2-CZ3 3.8Å; L36-W62 HydrophobicContact CG-CZ3 4.5Å
37	S	33.6	Very low	34.7	Very low	98 Å²	98	109.6 Å²	109.6	69%	0.685	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-79.1	-13.8	178.1	51	0	0	0	0	113.9	N35 T40	N35-S37 PolarHBondContact O-N 2.87Å; S37-T40 PolarHBondContact O-OG1 2.88Å
38	A	31	Very low	35.9	Very low	73 Å²	73	107.7 Å²	107.7	60%	0.603	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-88.1	-0.9	-177.2	0	0	0	0	0	114.5	L36 T40	L36-A38 VanDerWaalsContact C-N 3.35Å; A38-T40 PolarHBondContact O-N 2.9Å; A38-T40 VanDerWaalsContact O-N 3.1Å
39	L	33.4	Very low	37.1	Very low	141 Å²	141	106.1 Å²	106.1	74%	0.738	61%	0.608	S	S	*	*			trans	-84.6	36.5	-179.8	-69.9	171.5	0	0	0	113.4	Y41	L39-Y41 VanDerWaalsContact C-N 3.31Å; L39-Y41 PolarHBondContact O-N 2.82Å
40	T	33.5	Very low	38.1	Very low	122 Å²	122	101.4 Å²	101.4	75%	0.748	58%	0.576	S	S	*	*			trans	-89	64.3	174.7	-25.2	0	0	0	0	110.8	S37 A38	S37-T40 PolarHBondContact O-OG1 2.88Å; A38-T40 PolarHBondContact O-N 2.9Å; A38-T40 VanDerWaalsContact O-N 3.1Å
41	Y	33	Very low	39.2	Very low	208 Å²	208	101.7 Å²	101.7	82%	0.816	57%	0.571	S	S	*	*	S	Bend	trans	-140.7	161.3	167.3	-101.7	-89.4	0	0	0	108.6	L39 Y43	L39-Y41 VanDerWaalsContact C-N 3.31Å; L39-Y41 PolarHBondContact O-N 2.82Å; Y41-Y43 PolarHBondContact O-N 3.2Å
42	P	35.3	Very low	40.8	Very low	105 Å²	105	101.6 Å²	101.6	68%	0.682	57%	0.566	S	S	*	*	S	Bend	trans	-78.9	40.8	-143.3	34	-37.6	0	0	0	115.3
43	Y	35.4	Very low	41.9	Very low	161 Å²	161	97.9 Å²	97.9	63%	0.631	54%	0.535	S	S	*	.			trans	-106.9	28.6	176.3	-83.8	-58.9	0	0	0	113.4	Y41 S45 I46	Y41-Y43 PolarHBondContact O-N 3.2Å; Y43-S45 PolarHBondContact O-N 3.45Å; Y43-I46 HydrophobicContact CD1-CB 3.98Å; Y43-I46 HydrophobicContact CD1-CD1 3.17Å; Y43-I46 HydrophobicContact CD1-CG1 3.5Å; Y43-I46 VanDerWaalsContact CD1-CG1 3.5Å; Y43-I46 HydrophobicContact CE1-CD1 3.1Å; Y43-I46 HydrophobicContact CE1-CG1 3.94Å; Y43-I46 HydrophobicContact CG-CD1 4.28Å; Y43-I46 PolarHBondContact O-N 2.83Å
44	S	33.8	Very low	42.9	Very low	96 Å²	96	94 Å²	94	67%	0.671	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-9.9	169.8	58.1	0	0	0	0	113.6
45	S	43.9	Very low	44	Very low	102 Å²	102	90.9 Å²	90.9	71%	0.713	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.3	174.3	58.4	0	0	0	0	114.9	Y43	Y43-S45 PolarHBondContact O-N 3.45Å
46	I	45.3	Very low	45.3	Very low	114 Å²	114	89.9 Å²	89.9	59%	0.585	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-15.6	-176.7	-69.7	-164.9	0	0	0	113.6	Y43 S48	Y43-I46 HydrophobicContact CD1-CB 3.98Å; Y43-I46 HydrophobicContact CD1-CD1 3.17Å; Y43-I46 HydrophobicContact CD1-CG1 3.5Å; Y43-I46 VanDerWaalsContact CD1-CG1 3.5Å; Y43-I46 HydrophobicContact CE1-CD1 3.1Å; Y43-I46 HydrophobicContact CE1-CG1 3.94Å; Y43-I46 HydrophobicContact CG-CD1 4.28Å; Y43-I46 PolarHBondContact O-N 2.83Å; I46-S48 PolarHBondContact O-N 3.47Å; I46-S48 VanDerWaalsContact O-N 3.12Å
47	L	44.3	Very low	46.1	Very low	73 Å²	73	87.7 Å²	87.7	38%	0.382	49%	0.487	S	S	.	.	S	Bend	trans	-59.7	123.8	173.9	-64.2	177.2	0	0	0	109.1	L51 K52	L47-L51 HydrophobicContact CB-CB 3.97Å; L47-L51 HydrophobicContact CD2-CB 4.09Å; L47-L51 HydrophobicContact CD2-CD1 4.18Å; L47-K52 HydrophobicContact CB-CB 4.42Å
48	S	57.1	Low	46.6	Very low	51 Å²	51	83.3 Å²	83.3	36%	0.357	46%	0.457	S	S	.	.			trans	-50.3	149.3	170.9	65.6	0	0	0	0	109.2	I46 L50 L51 K52	I46-S48 PolarHBondContact O-N 3.47Å; I46-S48 VanDerWaalsContact O-N 3.12Å; S48-L50 CarbonylContact O-C 3.5Å; S48-L50 PolarHBondContact O-N 2.82Å; S48-L51 WeakPolarHBondContact O-CA 3.41Å; S48-L51 PolarHBondContact O-N 3.34Å; S48-L51 WeakPolarHBondContact OG-CG 3.45Å; S48-L51 PolarHBondContact OG-N 3.24Å; S48-K52 PolarHBondContact O-N 3.12Å
49	P	55.9	Low	47.4	Very low	28 Å²	28	83 Å²	83	18%	0.182	46%	0.461	C	S	.	.	H	α-helix	trans	-54	-29.3	-179.3	-29	36.7	0	0	0	113.1	A53 K417 D418	P49-A53 WeakPolarHBondContact O-CB 3.37Å; P49-A53 PolarHBondContact O-N 3.37Å; P49-K417 HydrophobicContact CB-CB 4.45Å; P49-K417 VanDerWaalsContact CB-O 3.29Å; P49-K417 WeakPolarHBondContact CB-O 3.39Å; P49-K417 HydrophobicContact CG-CB 4.33Å; P49-K417 WeakPolarHBondContact CG-O 3.06Å; P49-D418 HydrophobicContact CG-CB 3.89Å; P49-D418 WeakPolarHBondContact CG-OD2 3.03Å
50	L	55.4	Low	47.9	Very low	32 Å²	32	80.7 Å²	80.7	17%	0.168	45%	0.453	C	S	.	.	H	α-helix	trans	-63.5	-52.9	169.3	-174.4	68.9	0	0	0	112	S48 K52 A53 L54 L340 M419	S48-L50 CarbonylContact O-C 3.5Å; S48-L50 PolarHBondContact O-N 2.82Å; L50-K52 VanDerWaalsContact C-N 3.28Å; L50-K52 PolarHBondContact O-N 2.03Å; L50-A53 CarbonylContact O-C 3.41Å; L50-A53 PolarHBondContact O-N 2.86Å; L50-L54 HydrophobicContact CD1-CD1 4.35Å; L50-L54 HydrophobicContact CD1-CG 4.31Å; L50-L54 HydrophobicContact CD2-CD1 4.27Å; L50-L54 HydrophobicContact CG-CD1 3.8Å; L50-L54 HydrophobicContact CG-CG 4.16Å; L50-L54 VanDerWaalsContact O-CB 3.3Å; L50-L54 WeakPolarHBondContact O-CB 3.47Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 3.43Å; L50-L340 HydrophobicContact CD1-CD1 4.43Å; L50-M419 HydrophobicContact CB-SD 3.79Å; L50-M419 HydrophobicContact CD1-CE 3.87Å; L50-M419 HydrophobicContact CD1-SD 3.99Å; L50-M419 HydrophobicContact CD2-CE 4.43Å; L50-M419 HydrophobicContact CG-SD 4.32Å
51	L	58.2	Low	48.6	Very low	88 Å²	88	77 Å²	77	46%	0.461	43%	0.425	S	S	.	.	H	α-helix	trans	-62.4	-36.2	179.1	-75.4	168.1	0	0	0	112.2	L47 S48 L54 S55	L47-L51 HydrophobicContact CB-CB 3.97Å; L47-L51 HydrophobicContact CD2-CB 4.09Å; L47-L51 HydrophobicContact CD2-CD1 4.18Å; S48-L51 WeakPolarHBondContact O-CA 3.41Å; S48-L51 PolarHBondContact O-N 3.34Å; S48-L51 WeakPolarHBondContact OG-CG 3.45Å; S48-L51 PolarHBondContact OG-N 3.24Å; L51-L54 HydrophobicContact CD2-CD1 4.44Å; L51-L54 PolarHBondContact O-N 2.88Å; L51-S55 VanDerWaalsContact O-CB 3.29Å; L51-S55 WeakPolarHBondContact O-CB 3.46Å; L51-S55 PolarHBondContact O-N 3.13Å
52	K	60.2	Low	49.1	Very low	92 Å²	92	72.6 Å²	72.6	40%	0.4	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-45.8	172.4	-175.1	167.6	-176.9	166.9	0	111.7	L47 S48 L50 L54 S55 E56	L47-K52 HydrophobicContact CB-CB 4.42Å; S48-K52 PolarHBondContact O-N 3.12Å; L50-K52 VanDerWaalsContact C-N 3.28Å; L50-K52 PolarHBondContact O-N 2.03Å; K52-L54 VanDerWaalsContact C-N 3.33Å; K52-L54 PolarHBondContact O-N 3.5Å; K52-S55 PolarHBondContact O-N 3.15Å; K52-E56 WeakPolarHBondContact CE-OE1 3.25Å; K52-E56 WeakPolarHBondContact CG-OE1 3.4Å; K52-E56 WeakPolarHBondContact O-CB 3.45Å; K52-E56 WeakPolarHBondContact O-CG 3.17Å; K52-E56 PolarHBondContact O-N 2.82Å
53	A	56	Low	49.3	Very low	3 Å²	3	71 Å²	71	3%	0.025	40%	0.398	C	S	.	.	H	α-helix	trans	-63.5	-38	174.1	0	0	0	0	0	112.6	P49 L50 S55 E56 H57 F416	P49-A53 WeakPolarHBondContact O-CB 3.37Å; P49-A53 PolarHBondContact O-N 3.37Å; L50-A53 CarbonylContact O-C 3.41Å; L50-A53 PolarHBondContact O-N 2.86Å; A53-S55 VanDerWaalsContact C-N 3.34Å; A53-E56 PolarHBondContact O-N 3.01Å; A53-H57 VanDerWaalsContact O-CB 3.24Å; A53-H57 WeakPolarHBondContact O-CB 3.32Å; A53-H57 PolarHBondContact O-CD2 3.08Å; A53-H57 VanDerWaalsContact O-CD2 3.25Å; A53-H57 PolarHBondContact O-N 2.71Å; A53-F416 HydrophobicContact CB-CD1 3.88Å; A53-F416 HydrophobicContact CB-CE1 3.31Å; A53-F416 HydrophobicContact CB-CZ 4.05Å
54	L	55.6	Low	49.6	Very low	27 Å²	27	71 Å²	71	14%	0.141	41%	0.408	C	S	.	.	H	α-helix	trans	-68.6	-33.5	175.5	-71.8	173.2	0	0	0	111.6	L50 L51 K52 G58 L340 W343	L50-L54 HydrophobicContact CD1-CD1 4.35Å; L50-L54 HydrophobicContact CD1-CG 4.31Å; L50-L54 HydrophobicContact CD2-CD1 4.27Å; L50-L54 HydrophobicContact CG-CD1 3.8Å; L50-L54 HydrophobicContact CG-CG 4.16Å; L50-L54 VanDerWaalsContact O-CB 3.3Å; L50-L54 WeakPolarHBondContact O-CB 3.47Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 3.43Å; L51-L54 HydrophobicContact CD2-CD1 4.44Å; L51-L54 PolarHBondContact O-N 2.88Å; K52-L54 VanDerWaalsContact C-N 3.33Å; K52-L54 PolarHBondContact O-N 3.5Å; L54-G58 WeakPolarHBondContact O-CA 3.39Å; L54-G58 PolarHBondContact O-N 2.84Å; L54-L340 HydrophobicContact CD2-CD1 4.15Å; L54-L340 HydrophobicContact CD2-CD2 3.39Å; L54-L340 HydrophobicContact CD2-CG 4.42Å; L54-W343 HydrophobicContact CD2-CZ2 3.67Å
55	S	56.7	Low	49.6	Very low	76 Å²	76	72.9 Å²	72.9	53%	0.531	41%	0.411	S	S	.	.	H	α-helix	trans	-69.3	-48.3	172.6	177.7	0	0	0	0	110.9	L51 K52 A53 H57 G59	L51-S55 VanDerWaalsContact O-CB 3.29Å; L51-S55 WeakPolarHBondContact O-CB 3.46Å; L51-S55 PolarHBondContact O-N 3.13Å; K52-S55 PolarHBondContact O-N 3.15Å; A53-S55 VanDerWaalsContact C-N 3.34Å; S55-H57 PolarHBondContact O-N 2.9Å; S55-G59 PolarHBondContact O-N 3.11Å; S55-G59 VanDerWaalsContact O-N 3.14Å
56	E	56.9	Low	49.4	Very low	99 Å²	99	73 Å²	73	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-66.8	-33.5	179.8	-71.6	172.1	-174.2	0	0	113.6	K52 A53	K52-E56 WeakPolarHBondContact CE-OE1 3.25Å; K52-E56 WeakPolarHBondContact CG-OE1 3.4Å; K52-E56 WeakPolarHBondContact O-CB 3.45Å; K52-E56 WeakPolarHBondContact O-CG 3.17Å; K52-E56 PolarHBondContact O-N 2.82Å; A53-E56 PolarHBondContact O-N 3.01Å
57	H	52.8	Low	49.3	Very low	53 Å²	53	78.2 Å²	78.2	25%	0.245	43%	0.431	C	S	.	.	H	α-helix	trans	-103.8	-10.9	-179.3	-71.3	-91.5	0	0	0	113.8	A53 S55 K414	A53-H57 VanDerWaalsContact O-CB 3.24Å; A53-H57 WeakPolarHBondContact O-CB 3.32Å; A53-H57 PolarHBondContact O-CD2 3.08Å; A53-H57 VanDerWaalsContact O-CD2 3.25Å; A53-H57 PolarHBondContact O-N 2.71Å; S55-H57 PolarHBondContact O-N 2.9Å; H57-K414 PolarHBondContact NE2-NZ 2.91Å; H57-K414 VanDerWaalsContact NE2-NZ 3.13Å
58	G	44	Very low	49.5	Very low	6 Å²	6	84.5 Å²	84.5	6%	0.062	46%	0.455	C	S	.	.	H	α-helix	trans	-105.7	-23.3	-176.1	0	0	0	0	0	114.3	L54 T60 R61 W62	L54-G58 WeakPolarHBondContact O-CA 3.39Å; L54-G58 PolarHBondContact O-N 2.84Å; G58-T60 PolarHBondContact O-N 2.7Å; G58-T60 VanDerWaalsContact O-N 3.09Å; G58-R61 PolarHBondContact O-N 2.81Å; G58-W62 PolarHBondContact O-N 2.61Å
59	G	47.5	Very low	49.4	Very low	66 Å²	66	88.7 Å²	88.7	68%	0.68	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-37.7	-175.4	0	0	0	0	0	114.6	S55	S55-G59 PolarHBondContact O-N 3.11Å; S55-G59 VanDerWaalsContact O-N 3.14Å
60	T	45.4	Very low	49.8	Very low	92 Å²	92	91.6 Å²	91.6	56%	0.564	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-24.2	175.5	49.9	0	0	0	0	113.5	G58 S63 E407	G58-T60 PolarHBondContact O-N 2.7Å; G58-T60 VanDerWaalsContact O-N 3.09Å; T60-S63 PolarHBondContact O-OG 2.9Å; T60-E407 PolarHBondContact OG1-OE1 2.79Å
61	R	46.8	Very low	50.2	Low	45 Å²	45	98.1 Å²	98.1	17%	0.17	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-17	-167	-160.3	169.9	-170.8	159.1	-3.3	114.4	G58 S63 H342 W343 F405	G58-R61 PolarHBondContact O-N 2.81Å; R61-S63 VanDerWaalsContact C-N 3.29Å; R61-H342 PolarHBondContact NE-CD2 2.8Å; R61-H342 PolarHBondContact NH2-O 2.59Å; R61-W343 VanDerWaalsContact CZ-CB 3.46Å; R61-F405 PolarHBondContact NH1-O 3.21Å
62	W	44.9	Very low	50.8	Low	115 Å²	115	95.8 Å²	95.8	44%	0.436	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.9	175.6	-67.3	39.9	0	0	0	111.8	L33 L36 G58 L64	L33-W62 HydrophobicContact CD1-CZ3 3.82Å; L33-W62 HydrophobicContact CG-CE3 4.42Å; L33-W62 HydrophobicContact CG-CZ3 4.15Å; L36-W62 HydrophobicContact CD1-CZ3 4.1Å; L36-W62 HydrophobicContact CD2-CE3 4.42Å; L36-W62 HydrophobicContact CD2-CH2 3.76Å; L36-W62 HydrophobicContact CD2-CZ2 4.35Å; L36-W62 HydrophobicContact CD2-CZ3 3.8Å; L36-W62 HydrophobicContact CG-CZ3 4.5Å; G58-W62 PolarHBondContact O-N 2.61Å; W62-L64 PolarHBondContact O-N 2.83Å
63	S	38.7	Very low	51.2	Low	71 Å²	71	95.2 Å²	95.2	50%	0.497	50%	0.5	S	S	.	.			trans	-68.2	116.9	167.9	68.4	0	0	0	0	109.4	T60 R61 D65	T60-S63 PolarHBondContact O-OG 2.9Å; R61-S63 VanDerWaalsContact C-N 3.29Å; S63-D65 PolarHBondContact O-N 3.31Å
64	L	41.2	Very low	52	Low	161 Å²	161	103 Å²	103	84%	0.843	54%	0.535	S	S	*	.			trans	-81.4	39.5	-175.2	-124.1	150.7	0	0	0	110.7	W62	W62-L64 PolarHBondContact O-N 2.83Å
65	D	35.8	Very low	52.9	Low	137 Å²	137	105.9 Å²	105.9	73%	0.733	54%	0.544	S	S	*	.			trans	-117.3	100.6	179.8	-91	-30.7	0	0	0	112	S63 R67	S63-D65 PolarHBondContact O-N 3.31Å; D65-R67 VanDerWaalsContact C-N 3.25Å; D65-R67 PolarHBondContact O-N 2.81Å
66	A	39	Very low	53.8	Low	105 Å²	105	103.2 Å²	103.2	87%	0.868	52%	0.523	S	S	*	.			trans	41.1	15.5	134.5	0	0	0	0	0	122.1	K68	A66-K68 PolarHBondContact O-N 2.81Å
67	R	42.8	Very low	54.9	Low	223 Å²	223	99.8 Å²	99.8	84%	0.842	51%	0.508	S	S	*	.			trans	-75.2	122.5	158.6	-70.8	-166.5	-169.1	-164.4	3.7	107.5	D65 K69	D65-R67 VanDerWaalsContact C-N 3.25Å; D65-R67 PolarHBondContact O-N 2.81Å; R67-K69 VanDerWaalsContact C-N 3.32Å; R67-K69 PolarHBondContact O-N 2.88Å
68	K	48.9	Very low	56.3	Low	205 Å²	205	103.9 Å²	103.9	89%	0.891	53%	0.525	S	S	*	.			trans	-42.4	96.5	172.8	-74.1	178.1	178.4	176.1	0	108.5	A66 V70	A66-K68 PolarHBondContact O-N 2.81Å; K68-V70 PolarHBondContact O-N 3.41Å
69	K	54.6	Low	58.1	Low	139 Å²	139	104.4 Å²	104.4	60%	0.604	53%	0.526	S	S	*	.			trans	-65.1	101.8	-177.5	-75.9	-175.7	177.4	179.3	0	105.8	R67 K71	R67-K69 VanDerWaalsContact C-N 3.32Å; R67-K69 PolarHBondContact O-N 2.88Å; K69-K71 PolarHBondContact O-N 3.17Å; K69-K71 VanDerWaalsContact O-N 3.11Å
70	V	63.4	Low	59.7	Low	89 Å²	89	101.3 Å²	101.3	54%	0.539	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-55.2	121.3	172.6	-173	0	0	0	0	105.2	K68 F405	K68-V70 PolarHBondContact O-N 3.41Å; V70-F405 HydrophobicContact CB-CE1 4.23Å; V70-F405 HydrophobicContact CB-CZ 4.12Å; V70-F405 HydrophobicContact CG1-CE1 4.37Å; V70-F405 HydrophobicContact CG1-CZ 3.77Å; V70-F405 WeakPolarHBondContact O-CE1 3.32Å
71	K	65.4	Low	61.4	Low	169 Å²	169	97.5 Å²	97.5	74%	0.735	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-98	143.3	179.7	-74.8	-176.6	-179.5	178.3	0	108.7	K69 E73	K69-K71 PolarHBondContact O-N 3.17Å; K69-K71 VanDerWaalsContact O-N 3.11Å; K71-E73 PolarHBondContact O-N 2.9Å
72	P	69.4	Low	63	Low	39 Å²	39	99.7 Å²	99.7	25%	0.253	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-55.3	124	170.6	-22.3	30.8	0	0	0	110.2	H74 V77 V345 F405 Y411	P72-H74 PolarHBondContact O-N 3.28Å; P72-V77 HydrophobicContact CB-CG2 3.88Å; P72-V345 HydrophobicContact CB-CG2 4.44Å; P72-V345 HydrophobicContact CG-CG2 4.02Å; P72-F405 HydrophobicContact CB-CD2 4.4Å; P72-F405 HydrophobicContact CG-CB 4.02Å; P72-F405 HydrophobicContact CG-CD1 3.98Å; P72-F405 HydrophobicContact CG-CD2 4.02Å; P72-F405 HydrophobicContact CG-CE1 4.47Å; P72-F405 HydrophobicContact CG-CE2 4.47Å; P72-F405 HydrophobicContact CG-CG 3.72Å; P72-Y411 WeakPolarHBondContact CA-OH 3.45Å; P72-Y411 HydrophobicContact CB-CE1 4.22Å; P72-Y411 WeakPolarHBondContact CB-OH 3.44Å
73	E	70.3	Confident	64.6	Low	79 Å²	79	94.5 Å²	94.5	37%	0.369	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-72.7	120.6	175.6	-80.2	-169.1	-162.2	0	0	110.9	K71 R75 Y76 V77 K107	K71-E73 PolarHBondContact O-N 2.9Å; E73-R75 PolarHBondContact O-N 2.72Å; E73-Y76 HydrophobicContact CB-CD2 3.89Å; E73-Y76 HydrophobicContact CB-CE2 4.42Å; E73-Y76 PolarHBondContact O-N 2.79Å; E73-Y76 VanDerWaalsContact O-N 3.07Å; E73-Y76 WeakPolarHBondContact OE2-CE2 3.44Å; E73-V77 WeakPolarHBondContact O-CG2 3.2Å; E73-V77 PolarHBondContact O-N 2.8Å; E73-K107 WeakPolarHBondContact OE1-CE 3.39Å; E73-K107 IonicContact OE1-NZ 2.59Å; E73-K107 PolarHBondContact OE1-NZ 3.24Å
74	H	71.2	Confident	66.4	Low	168 Å²	168	92.1 Å²	92.1	78%	0.778	44%	0.444	S	S	*	.	H	α-helix	trans	-53.2	-31.3	-176.1	-174.2	-97.6	0	0	0	113.6	P72	P72-H74 PolarHBondContact O-N 3.28Å
75	R	74.4	Confident	68.1	Low	87 Å²	87	88.1 Å²	88.1	33%	0.328	42%	0.419	S	S	.	.	H	α-helix	trans	-62.1	-45.3	-179.8	-167.8	-172.2	-69.3	175	2.6	112.2	E73 W196	E73-R75 PolarHBondContact O-N 2.72Å; R75-W196 HydrophobicContact CG-CH2 3.65Å; R75-W196 HydrophobicContact CG-CZ2 3.74Å; R75-W196 WeakPolarHBondContact O-CZ2 3.36Å
76	Y	77.2	Confident	69.7	Low	19 Å²	19	85.7 Å²	85.7	8%	0.075	40%	0.403	C	S	.	.	H	α-helix	trans	-83.4	-27.8	-177.5	-57.7	-60.9	0	0	0	112.7	E73 K78 Y79 L80 L105 L144 W196 P244	E73-Y76 HydrophobicContact CB-CD2 3.89Å; E73-Y76 HydrophobicContact CB-CE2 4.42Å; E73-Y76 PolarHBondContact O-N 2.79Å; E73-Y76 VanDerWaalsContact O-N 3.07Å; E73-Y76 WeakPolarHBondContact OE2-CE2 3.44Å; Y76-K78 PolarHBondContact O-N 2.77Å; Y76-Y79 PolarHBondContact O-N 3.4Å; Y76-L80 WeakPolarHBondContact O-CG 3.17Å; Y76-L80 PolarHBondContact O-N 3.26Å; Y76-L105 HydrophobicContact CD1-CD1 4.1Å; Y76-L105 HydrophobicContact CD2-CD1 4.18Å; Y76-L105 HydrophobicContact CG-CD1 3.72Å; Y76-L144 HydrophobicContact CD1-CD2 4.06Å; Y76-L144 HydrophobicContact CE1-CD2 4.41Å; Y76-W196 AromaticContact CD1-CH2 3.82Å; Y76-W196 HydrophobicContact CD1-CH2 3.82Å; Y76-W196 HydrophobicContact CD1-CZ3 4.13Å; Y76-W196 AromaticContact CE1-CH2 3.8Å; Y76-W196 HydrophobicContact CE1-CH2 3.8Å; Y76-W196 AromaticContact CE1-CZ3 3.92Å; Y76-W196 HydrophobicContact CE1-CZ3 3.92Å; Y76-P244 HydrophobicContact CD1-CG 4.09Å; Y76-P244 HydrophobicContact CE1-CG 3.45Å; Y76-P244 VanDerWaalsContact CE1-CG 3.45Å
77	V	79.2	Confident	70.8	Confident	27 Å²	27	82.1 Å²	82.1	16%	0.164	37%	0.371	C	S	.	.	H	α-helix	trans	-54.6	-39.5	175.5	172.6	0	0	0	0	111.6	P72 E73 T81 V345	P72-V77 HydrophobicContact CB-CG2 3.88Å; E73-V77 WeakPolarHBondContact O-CG2 3.2Å; E73-V77 PolarHBondContact O-N 2.8Å; V77-T81 WeakPolarHBondContact O-CB 3.38Å; V77-T81 PolarHBondContact O-N 2.97Å; V77-T81 PolarHBondContact O-OG1 3.18Å; V77-V345 HydrophobicContact CB-CG1 4.38Å; V77-V345 HydrophobicContact CG1-CG1 3.64Å; V77-V345 HydrophobicContact CG2-CG1 3.85Å
78	K	81.5	Confident	71.6	Confident	139 Å²	139	73.1 Å²	73.1	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-62.6	-45.5	177.4	-174	179.7	-180	-178.4	0	112.1	Y76 E82	Y76-K78 PolarHBondContact O-N 2.77Å; K78-E82 WeakPolarHBondContact O-CG 3.46Å; K78-E82 PolarHBondContact O-N 3.31Å
79	Y	81.5	Confident	71.8	Confident	17 Å²	17	72.6 Å²	72.6	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-51	177.8	166	-90.8	0	0	0	110.7	Y76 T81 E82 V83 L144 W196 E198 I246 Y248	Y76-Y79 PolarHBondContact O-N 3.4Å; Y79-T81 VanDerWaalsContact C-N 3.27Å; Y79-T81 PolarHBondContact O-N 2.87Å; Y79-E82 WeakPolarHBondContact O-CA 3.43Å; Y79-E82 WeakPolarHBondContact O-CB 3.32Å; Y79-E82 PolarHBondContact O-N 3.29Å; Y79-V83 HydrophobicContact CD1-CG2 4.24Å; Y79-V83 HydrophobicContact CE1-CG2 3.63Å; Y79-V83 HydrophobicContact CE2-CG2 4.1Å; Y79-V83 PolarHBondContact O-N 3.26Å; Y79-L144 HydrophobicContact CD1-CD1 4.42Å; Y79-L144 HydrophobicContact CD1-CD2 3.72Å; Y79-L144 HydrophobicContact CD2-CD1 3.78Å; Y79-L144 HydrophobicContact CD2-CD2 4.25Å; Y79-L144 HydrophobicContact CE1-CD1 4.22Å; Y79-L144 HydrophobicContact CE1-CD2 4.03Å; Y79-L144 HydrophobicContact CE2-CD1 3.51Å; Y79-L144 HydrophobicContact CG-CD1 4.24Å; Y79-L144 HydrophobicContact CG-CD2 3.85Å; Y79-W196 HydrophobicContact CD2-CB 4.04Å; Y79-W196 HydrophobicContact CD2-CG 4.04Å; Y79-E198 HydrophobicContact CE2-CG 4.28Å; Y79-E198 WeakPolarHBondContact CE2-OE1 3.29Å; Y79-E198 WeakPolarHBondContact OH-CG 3.16Å; Y79-E198 PolarHBondContact OH-OE1 3.03Å; Y79-I246 HydrophobicContact CD1-CD1 4.09Å; Y79-I246 HydrophobicContact CE1-CD1 3.36Å; Y79-Y248 PolarHBondContact OH-OH 3.25Å
80	L	82.1	Confident	71.1	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-36.4	-179.2	-67.8	170.9	0	0	0	112.2	Y76 E82 V83 Y84 I103 L105 M403 Y411	Y76-L80 WeakPolarHBondContact O-CG 3.17Å; Y76-L80 PolarHBondContact O-N 3.26Å; L80-E82 VanDerWaalsContact C-N 3.32Å; L80-E82 PolarHBondContact O-N 3.3Å; L80-V83 WeakPolarHBondContact O-CB 3.26Å; L80-V83 PolarHBondContact O-N 2.76Å; L80-Y84 PolarHBondContact O-N 3.1Å; L80-I103 HydrophobicContact CD2-CG2 4.02Å; L80-L105 HydrophobicContact CD1-CD1 4.34Å; L80-M403 HydrophobicContact CB-CE 3.93Å; L80-M403 HydrophobicContact CB-SD 3.7Å; L80-Y411 HydrophobicContact CD1-CD1 3.78Å; L80-Y411 HydrophobicContact CD1-CD2 3.55Å; L80-Y411 HydrophobicContact CD1-CE1 3.86Å; L80-Y411 HydrophobicContact CD1-CE2 3.67Å; L80-Y411 HydrophobicContact CD1-CG 3.62Å
81	T	82.1	Confident	70.1	Confident	13 Å²	13	73.3 Å²	73.3	8%	0.08	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-38.9	172.8	-64.5	0	0	0	0	112.3	V77 Y79 Y84 K85 F346	V77-T81 WeakPolarHBondContact O-CB 3.38Å; V77-T81 PolarHBondContact O-N 2.97Å; V77-T81 PolarHBondContact O-OG1 3.18Å; Y79-T81 VanDerWaalsContact C-N 3.27Å; Y79-T81 PolarHBondContact O-N 2.87Å; T81-Y84 PolarHBondContact O-N 2.98Å; T81-K85 HydrophobicContact CG2-CD 4.36Å; T81-K85 VanDerWaalsContact O-CG 3.32Å; T81-K85 WeakPolarHBondContact O-CG 3.07Å; T81-K85 PolarHBondContact O-N 2.68Å; T81-F346 HydrophobicContact CG2-CD1 4.45Å; T81-F346 HydrophobicContact CG2-CD2 3.45Å; T81-F346 VanDerWaalsContact CG2-CD2 3.45Å; T81-F346 HydrophobicContact CG2-CE1 4.31Å; T81-F346 HydrophobicContact CG2-CE2 3.29Å; T81-F346 HydrophobicContact CG2-CG 4.06Å; T81-F346 HydrophobicContact CG2-CZ 3.76Å
82	E	79.6	Confident	69	Low	90 Å²	90	75.2 Å²	75.2	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-72	-33.6	177	-68.7	-60.1	126.2	0	0	111.9	K78 Y79 L80 K85 K86	K78-E82 WeakPolarHBondContact O-CG 3.46Å; K78-E82 PolarHBondContact O-N 3.31Å; Y79-E82 WeakPolarHBondContact O-CA 3.43Å; Y79-E82 WeakPolarHBondContact O-CB 3.32Å; Y79-E82 PolarHBondContact O-N 3.29Å; L80-E82 VanDerWaalsContact C-N 3.32Å; L80-E82 PolarHBondContact O-N 3.3Å; E82-K85 PolarHBondContact O-N 2.76Å; E82-K85 IonicContact OE1-NZ 2.7Å; E82-K85 PolarHBondContact OE1-NZ 2.93Å; E82-K86 WeakPolarHBondContact O-CG 3.38Å; E82-K86 PolarHBondContact O-N 2.88Å
83	V	77.9	Confident	67.3	Low	6 Å²	6	76 Å²	76	4%	0.036	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-50.5	170.1	179.4	0	0	0	0	110	Y79 L80 K85 K86 S87 I103 Y248 Y413	Y79-V83 HydrophobicContact CD1-CG2 4.24Å; Y79-V83 HydrophobicContact CE1-CG2 3.63Å; Y79-V83 HydrophobicContact CE2-CG2 4.1Å; Y79-V83 PolarHBondContact O-N 3.26Å; L80-V83 WeakPolarHBondContact O-CB 3.26Å; L80-V83 PolarHBondContact O-N 2.76Å; V83-K85 PolarHBondContact O-N 3.03Å; V83-K86 WeakPolarHBondContact O-CB 3.38Å; V83-K86 PolarHBondContact O-N 3.28Å; V83-K86 VanDerWaalsContact O-N 3.09Å; V83-S87 PolarHBondContact O-N 3.06Å; V83-S87 VanDerWaalsContact O-N 3.09Å; V83-S87 PolarHBondContact O-OG 2.99Å; V83-I103 HydrophobicContact CG1-CD1 3.91Å; V83-Y248 HydrophobicContact CG1-CE1 4.27Å; V83-Y413 WeakPolarHBondContact CG1-OH 3.05Å
84	Y	77.1	Confident	65.9	Low	22 Å²	22	79.7 Å²	79.7	9%	0.086	37%	0.371	C	S	.	.	H	α-helix	trans	-55.8	-44.2	176.3	178.6	-96	0	0	0	113.6	L80 T81 K86 S87 T88 F346 S401 Y413	L80-Y84 PolarHBondContact O-N 3.1Å; T81-Y84 PolarHBondContact O-N 2.98Å; Y84-K86 VanDerWaalsContact C-N 3.26Å; Y84-K86 PolarHBondContact O-N 2.83Å; Y84-S87 WeakPolarHBondContact CA-OG 3.23Å; Y84-S87 PolarHBondContact O-N 2.8Å; Y84-S87 PolarHBondContact O-OG 2.91Å; Y84-T88 HydrophobicContact CD1-CG2 4.14Å; Y84-T88 HydrophobicContact CD2-CG2 4.26Å; Y84-T88 HydrophobicContact CE1-CG2 3.64Å; Y84-T88 HydrophobicContact CE2-CG2 3.81Å; Y84-T88 HydrophobicContact CG-CG2 4.45Å; Y84-T88 VanDerWaalsContact CZ-CG2 3.47Å; Y84-T88 WeakPolarHBondContact O-CG2 3.41Å; Y84-T88 PolarHBondContact O-N 2.92Å; Y84-T88 PolarHBondContact O-OG1 3.01Å; Y84-F346 AromaticContact CD1-CD1 3.21Å; Y84-F346 HydrophobicContact CD1-CD1 3.21Å; Y84-F346 AromaticContact CD1-CE1 3.27Å; Y84-F346 HydrophobicContact CD1-CE1 3.27Å; Y84-F346 HydrophobicContact CD1-CG 4.44Å; Y84-F346 AromaticContact CE1-CD1 3.45Å; Y84-F346 HydrophobicContact CE1-CD1 3.45Å; Y84-F346 VanDerWaalsContact CE1-CD1 3.45Å; Y84-F346 AromaticContact CE1-CE1 3.43Å; Y84-F346 HydrophobicContact CE1-CE1 3.43Å; Y84-F346 VanDerWaalsContact CE1-CE1 3.43Å; Y84-F346 AromaticContact CG-CD1 3.96Å; Y84-F346 HydrophobicContact CG-CD1 3.96Å; Y84-F346 HydrophobicContact CG-CE1 4.37Å; Y84-S401 VanDerWaalsContact OH-C 3.23Å; Y84-S401 VanDerWaalsContact OH-CB 3.25Å; Y84-S401 WeakPolarHBondContact OH-CB 3.49Å; Y84-S401 PolarHBondContact OH-O 3.34Å; Y84-Y413 AromaticContact CD2-CD1 3.56Å; Y84-Y413 HydrophobicContact CD2-CD1 3.56Å; Y84-Y413 AromaticContact CD2-CE1 3.39Å; Y84-Y413 HydrophobicContact CD2-CE1 3.39Å; Y84-Y413 HydrophobicContact CE2-CD1 4.13Å; Y84-Y413 HydrophobicContact CE2-CE1 4.38Å; Y84-Y413 HydrophobicContact CG-CE1 4.08Å; Y84-Y413 PolarHBondContact N-OH 2.84Å
85	K	76.6	Confident	64.1	Low	76 Å²	76	78.7 Å²	78.7	33%	0.33	37%	0.372	S	S	.	.	H	α-helix	trans	-65.9	-29	179.2	-74.7	174.4	-169	163.3	0	113	T81 E82 V83 T88 R89 F346	T81-K85 HydrophobicContact CG2-CD 4.36Å; T81-K85 VanDerWaalsContact O-CG 3.32Å; T81-K85 WeakPolarHBondContact O-CG 3.07Å; T81-K85 PolarHBondContact O-N 2.68Å; E82-K85 PolarHBondContact O-N 2.76Å; E82-K85 IonicContact OE1-NZ 2.7Å; E82-K85 PolarHBondContact OE1-NZ 2.93Å; V83-K85 PolarHBondContact O-N 3.03Å; K85-T88 WeakPolarHBondContact CA-OG1 3.4Å; K85-T88 PolarHBondContact O-OG1 2.77Å; K85-R89 VanDerWaalsContact O-CG 3.3Å; K85-R89 WeakPolarHBondContact O-CG 3.45Å; K85-R89 PolarHBondContact O-N 3.37Å; K85-F346 HydrophobicContact CG-CZ 4.46Å
86	K	70	Confident	62.6	Low	87 Å²	87	77.8 Å²	77.8	38%	0.378	39%	0.389	S	S	.	.	H	α-helix	trans	-74.3	-47.5	175.7	-71.8	172	-175.3	175	0	110.8	E82 V83 Y84 T88 R89 M90	E82-K86 WeakPolarHBondContact O-CG 3.38Å; E82-K86 PolarHBondContact O-N 2.88Å; V83-K86 WeakPolarHBondContact O-CB 3.38Å; V83-K86 PolarHBondContact O-N 3.28Å; V83-K86 VanDerWaalsContact O-N 3.09Å; Y84-K86 VanDerWaalsContact C-N 3.26Å; Y84-K86 PolarHBondContact O-N 2.83Å; K86-T88 PolarHBondContact O-N 2.76Å; K86-R89 PolarHBondContact O-N 3.23Å; K86-R89 VanDerWaalsContact O-N 3.13Å; K86-M90 PolarHBondContact O-N 2.9Å
87	S	61.8	Low	61.1	Low	29 Å²	29	83.9 Å²	83.9	20%	0.203	42%	0.423	C	S	.	.	H	α-helix	trans	-63	-41.3	179.6	49.7	0	0	0	0	112.4	V83 Y84 R89 M90 Q91	V83-S87 PolarHBondContact O-N 3.06Å; V83-S87 VanDerWaalsContact O-N 3.09Å; V83-S87 PolarHBondContact O-OG 2.99Å; Y84-S87 WeakPolarHBondContact CA-OG 3.23Å; Y84-S87 PolarHBondContact O-N 2.8Å; Y84-S87 PolarHBondContact O-OG 2.91Å; S87-R89 VanDerWaalsContact C-N 3.26Å; S87-R89 PolarHBondContact O-N 3.23Å; S87-M90 PolarHBondContact O-N 3.21Å; S87-Q91 WeakPolarHBondContact O-CB 3.49Å; S87-Q91 PolarHBondContact O-N 3.07Å
88	T	58.5	Low	59.8	Low	35 Å²	35	88.8 Å²	88.8	22%	0.215	44%	0.444	C	S	.	.	H	α-helix	trans	-66.4	-21.4	174.8	51	0	0	0	0	114.7	Y84 K85 K86	Y84-T88 HydrophobicContact CD1-CG2 4.14Å; Y84-T88 HydrophobicContact CD2-CG2 4.26Å; Y84-T88 HydrophobicContact CE1-CG2 3.64Å; Y84-T88 HydrophobicContact CE2-CG2 3.81Å; Y84-T88 HydrophobicContact CG-CG2 4.45Å; Y84-T88 VanDerWaalsContact CZ-CG2 3.47Å; Y84-T88 WeakPolarHBondContact O-CG2 3.41Å; Y84-T88 PolarHBondContact O-N 2.92Å; Y84-T88 PolarHBondContact O-OG1 3.01Å; K85-T88 WeakPolarHBondContact CA-OG1 3.4Å; K85-T88 PolarHBondContact O-OG1 2.77Å; K86-T88 PolarHBondContact O-N 2.76Å
89	R	53.3	Low	58.9	Low	193 Å²	193	86.3 Å²	86.3	73%	0.728	44%	0.441	S	S	*	.	H	α-helix	trans	-82.3	-38.6	172.2	-75.3	176.9	-177.9	-163.1	-0.6	111.5	K85 K86 S87 R92	K85-R89 VanDerWaalsContact O-CG 3.3Å; K85-R89 WeakPolarHBondContact O-CG 3.45Å; K85-R89 PolarHBondContact O-N 3.37Å; K86-R89 PolarHBondContact O-N 3.23Å; K86-R89 VanDerWaalsContact O-N 3.13Å; S87-R89 VanDerWaalsContact C-N 3.26Å; S87-R89 PolarHBondContact O-N 3.23Å; R89-R92 PolarHBondContact O-N 3.38Å
90	M	40.5	Very low	58.6	Low	138 Å²	138	88 Å²	88	68%	0.68	45%	0.447	S	S	*	.	H	α-helix	trans	-69.5	-31.2	176.1	-150.5	76.7	173.7	0	0	112.2	K86 S87 R92 S93	K86-M90 PolarHBondContact O-N 2.9Å; S87-M90 PolarHBondContact O-N 3.21Å; M90-R92 PolarHBondContact O-N 2.83Å; M90-S93 PolarHBondContact O-N 3.14Å; M90-S93 PolarHBondContact O-OG 3.18Å
91	Q	42.5	Very low	58.3	Low	106 Å²	106	88.1 Å²	88.1	50%	0.495	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-8.8	173.7	-105.1	171.1	-27.5	0	0	115.1	S87	S87-Q91 WeakPolarHBondContact O-CB 3.49Å; S87-Q91 PolarHBondContact O-N 3.07Å
92	R	41.5	Very low	58.1	Low	209 Å²	209	87.8 Å²	87.8	79%	0.789	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.8	170.7	-67.7	-167.9	179.8	98.2	-0.3	113.3	R89 M90	R89-R92 PolarHBondContact O-N 3.38Å; M90-R92 PolarHBondContact O-N 2.83Å
93	S	34.4	Very low	58.3	Low	56 Å²	56	83.6 Å²	83.6	39%	0.392	43%	0.427	S	S	.	.	S	Bend	trans	-98.2	129.5	169.2	54.3	0	0	0	0	109.4	M90 D95	M90-S93 PolarHBondContact O-N 3.14Å; M90-S93 PolarHBondContact O-OG 3.18Å; S93-D95 PolarHBondContact O-N 3.35Å
94	V	41.8	Very low	58.6	Low	156 Å²	156	83.3 Å²	83.3	95%	0.945	43%	0.425	S	S	*	.			trans	-75.8	50.5	-173.4	-174.8	0	0	0	0	110.7
95	D	31.8	Very low	59	Low	146 Å²	146	82.9 Å²	82.9	78%	0.781	42%	0.424	S	S	*	.			trans	-137.1	124.5	-179.1	-144.3	3.3	0	0	0	112.4	S93 D97	S93-D95 PolarHBondContact O-N 3.35Å; D95-D97 PolarHBondContact O-N 3.06Å; D95-D97 VanDerWaalsContact O-N 3.14Å
96	G	44.1	Very low	59.4	Low	68 Å²	68	79.5 Å²	79.5	70%	0.701	41%	0.409	S	S	*	.			trans	-88.7	59.8	-159.4	0	0	0	0	0	114.4
97	D	44.5	Very low	60.1	Low	148 Å²	148	80.5 Å²	80.5	79%	0.791	41%	0.414	S	S	*	.	S	Bend	trans	-106.3	116.6	175	-109.9	-2.3	0	0	0	112.2	D95	D95-D97 PolarHBondContact O-N 3.06Å; D95-D97 VanDerWaalsContact O-N 3.14Å
98	E	53	Low	61.2	Low	129 Å²	129	80 Å²	80	60%	0.603	41%	0.41	S	S	*	.			trans	48.8	66.3	167.5	-62.4	-174.1	165.9	0	0	117.2	Y100	E98-Y100 PolarHBondContact O-N 2.89Å
99	V	63	Low	62.1	Low	87 Å²	87	83.4 Å²	83.4	53%	0.527	42%	0.423	S	S	.	.			trans	-78.2	85.4	172	-172.1	0	0	0	0	110.5
100	Y	74.8	Confident	62.8	Low	53 Å²	53	79 Å²	79	21%	0.208	41%	0.414	C	S	.	.			trans	-67.7	146.1	160.9	50.5	-95.3	0	0	0	110.3	E98 I103 Y248 L249 Y413	E98-Y100 PolarHBondContact O-N 2.89Å; Y100-I103 HydrophobicContact CD2-CD1 4.15Å; Y100-I103 HydrophobicContact CD2-CG1 4.01Å; Y100-I103 HydrophobicContact CE2-CD1 3.77Å; Y100-I103 HydrophobicContact CE2-CG1 4.16Å; Y100-Y248 AromaticContact CD1-CD1 3.74Å; Y100-Y248 HydrophobicContact CD1-CD1 3.74Å; Y100-Y248 HydrophobicContact CD1-CG 4.24Å; Y100-Y248 AromaticContact CD2-CD1 3.89Å; Y100-Y248 HydrophobicContact CD2-CD1 3.89Å; Y100-Y248 AromaticContact CE1-CD1 3.58Å; Y100-Y248 HydrophobicContact CE1-CD1 3.58Å; Y100-Y248 HydrophobicContact CE1-CE1 4.07Å; Y100-Y248 HydrophobicContact CE1-CG 4.37Å; Y100-Y248 AromaticContact CE2-CD1 3.77Å; Y100-Y248 HydrophobicContact CE2-CD1 3.77Å; Y100-Y248 HydrophobicContact CE2-CE1 4.14Å; Y100-Y248 AromaticContact CG-CD1 3.88Å; Y100-Y248 HydrophobicContact CG-CD1 3.88Å; Y100-Y248 HydrophobicContact CG-CG 4.46Å; Y100-Y248 AromaticContact CZ-CD1 3.59Å; Y100-Y248 AromaticContact CZ-CE1 3.78Å; Y100-L249 WeakPolarHBondContact CA-O 3.35Å; Y100-L249 WeakPolarHBondContact CB-O 3.45Å; Y100-Y413 HydrophobicContact CD2-CD2 4.25Å; Y100-Y413 HydrophobicContact CD2-CE2 4.01Å; Y100-Y413 HydrophobicContact CE2-CD2 4.35Å; Y100-Y413 AromaticContact CE2-CE2 3.73Å; Y100-Y413 HydrophobicContact CE2-CE2 3.73Å
101	N	74.6	Confident	63.7	Low	4 Å²	4	79.7 Å²	79.7	2%	0.021	42%	0.416	C	S	.	.			trans	-115	-12.4	177.4	70.7	8.7	0	0	0	113.4	L249 N250 D251 R259 Y413	N101-L249 PolarHBondContact N-O 3.32Å; N101-L249 PolarHBondContact OD1-O 3.14Å; N101-N250 PolarHBondContact ND2-OD1 3.02Å; N101-D251 PolarHBondContact ND2-N 3.09Å; N101-D251 PolarHBondContact ND2-O 3.45Å; N101-D251 WeakPolarHBondContact OD1-CB 3.27Å; N101-D251 PolarHBondContact OD1-N 2.73Å; N101-R259 VanDerWaalsContact CB-NH2 3.34Å; N101-Y413 CarbonylContact O-C 3.5Å; N101-Y413 WeakPolarHBondContact O-CA 3.49Å; N101-Y413 VanDerWaalsContact O-CB 3.27Å; N101-Y413 WeakPolarHBondContact O-CB 3.04Å; N101-Y413 PolarHBondContact O-N 3.05Å; N101-Y413 VanDerWaalsContact O-O 3.04Å
102	T	78.8	Confident	64.2	Low	6 Å²	6	77.4 Å²	77.4	4%	0.037	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.9	-174.8	-57.6	0	0	0	0	109.1	R104 L249 A412	T102-R104 HydrophobicContact CG2-CG 4.41Å; T102-L249 PolarHBondContact N-O 2.7Å; T102-L249 VanDerWaalsContact N-O 3.09Å; T102-L249 PolarHBondContact O-N 3.04Å; T102-A412 HydrophobicContact CG2-CB 4.17Å
103	I	83.3	Confident	64.7	Low	2 Å²	2	73.2 Å²	73.2	1%	0.01	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	104.6	176.5	-65.7	-171.4	0	0	0	110.5	L80 V83 Y100 I246 L247 Y248 Y411 Y413	L80-I103 HydrophobicContact CD2-CG2 4.02Å; V83-I103 HydrophobicContact CG1-CD1 3.91Å; Y100-I103 HydrophobicContact CD2-CD1 4.15Å; Y100-I103 HydrophobicContact CD2-CG1 4.01Å; Y100-I103 HydrophobicContact CE2-CD1 3.77Å; Y100-I103 HydrophobicContact CE2-CG1 4.16Å; I103-I246 HydrophobicContact CG2-CG2 3.67Å; I103-L247 CarbonylContact C-O 3.54Å; I103-L247 VanDerWaalsContact CA-O 3.27Å; I103-L247 WeakPolarHBondContact CA-O 3.32Å; I103-Y248 HydrophobicContact CD1-CD1 3.72Å; I103-Y248 HydrophobicContact CD1-CE1 3.57Å; I103-Y248 HydrophobicContact CG1-CD1 3.93Å; I103-Y248 HydrophobicContact CG1-CE1 4.27Å; I103-Y411 CarbonylContact C-O 3.51Å; I103-Y411 WeakPolarHBondContact CA-O 3.47Å; I103-Y411 PolarHBondContact N-O 2.87Å; I103-Y411 CarbonylContact O-C 3.52Å; I103-Y411 PolarHBondContact O-N 2.03Å; I103-Y413 HydrophobicContact CB-CE2 4.41Å; I103-Y413 HydrophobicContact CD1-CD2 4.38Å; I103-Y413 HydrophobicContact CD1-CE2 3.28Å; I103-Y413 WeakPolarHBondContact CD1-OH 3.33Å; I103-Y413 HydrophobicContact CG1-CD2 4.18Å; I103-Y413 HydrophobicContact CG1-CE2 3.5Å
104	R	84.5	Confident	65.6	Low	0 Å²	0	71.8 Å²	71.8	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.1	174.4	-61.6	-171.6	171.9	-82.8	-11.4	109.9	T102 I106 Q131 E136 I246 L247 L249 E406 D408 S410	T102-R104 HydrophobicContact CG2-CG 4.41Å; R104-I106 HydrophobicContact CB-CG1 4.42Å; R104-Q131 PolarHBondContact NE-O 2.85Å; R104-Q131 PolarHBondContact NH1-O 2.9Å; R104-E136 IonicContact CZ-OE1 2.87Å; R104-E136 IonicContact CZ-OE2 2.68Å; R104-E136 IonicContact NE-OE1 2.82Å; R104-E136 PolarHBondContact NE-OE1 2.82Å; R104-E136 IonicContact NE-OE2 3.83Å; R104-E136 PolarHBondContact NE-OE2 3.1Å; R104-E136 IonicContact NH2-OE1 2.72Å; R104-E136 PolarHBondContact NH2-OE1 3.26Å; R104-E136 IonicContact NH2-OE2 3.78Å; R104-E136 PolarHBondContact NH2-OE2 3.34Å; R104-I246 WeakPolarHBondContact O-CA 3.43Å; R104-L247 HydrophobicContact CB-CB 4.23Å; R104-L247 HydrophobicContact CB-CD1 4.43Å; R104-L247 PolarHBondContact N-O 3.21Å; R104-L247 PolarHBondContact O-N 2.99Å; R104-L249 HydrophobicContact CB-CD1 4.32Å; R104-L249 VanDerWaalsContact CD-CD1 3.48Å; R104-L249 HydrophobicContact CG-CD1 3.63Å; R104-E406 IonicContact NH2-OE2 3.37Å; R104-D408 IonicContact CZ-OD2 3.97Å; R104-D408 IonicContact NH1-OD1 3.59Å; R104-D408 IonicContact NH1-OD2 3.33Å; R104-D408 PolarHBondContact NH1-OD2 3.39Å; R104-D408 IonicContact NH2-OD2 2.71Å; R104-S410 VanDerWaalsContact NH1-CB 3.34Å; R104-S410 PolarHBondContact NH1-OG 3.41Å
105	L	86.2	Confident	66.2	Low	13 Å²	13	71.5 Å²	71.5	7%	0.068	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	110.8	169.8	-174.4	155.9	0	0	0	107.3	Y76 L80 K107 P244 Y411	Y76-L105 HydrophobicContact CD1-CD1 4.1Å; Y76-L105 HydrophobicContact CD2-CD1 4.18Å; Y76-L105 HydrophobicContact CG-CD1 3.72Å; L80-L105 HydrophobicContact CD1-CD1 4.34Å; L105-K107 HydrophobicContact CD2-CG 4.35Å; L105-P244 HydrophobicContact CD1-CG 4.49Å; L105-P244 HydrophobicContact CD2-CB 3.7Å; L105-P244 HydrophobicContact CD2-CG 4.42Å; L105-P244 HydrophobicContact CG-CB 3.96Å; L105-P244 HydrophobicContact CG-CG 4.45Å; L105-Y411 HydrophobicContact CB-CD2 4.14Å; L105-Y411 HydrophobicContact CB-CE2 4.3Å
106	I	85.5	Confident	67.1	Low	5 Å²	5	67.5 Å²	67.5	3%	0.026	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.6	-175.8	-57.5	179	0	0	0	108.2	R104 Y127 S128 L129 V132 P244 L245 L247	R104-I106 HydrophobicContact CB-CG1 4.42Å; I106-Y127 HydrophobicContact CG2-CD1 4.14Å; I106-S128 VanDerWaalsContact CG2-O 3.32Å; I106-S128 WeakPolarHBondContact CG2-O 3.27Å; I106-L129 HydrophobicContact CD1-CD2 3.43Å; I106-L129 VanDerWaalsContact CD1-CD2 3.43Å; I106-V132 HydrophobicContact CD1-CG2 4.41Å; I106-P244 CarbonylContact O-C 3.6Å; I106-P244 WeakPolarHBondContact O-CA 3.31Å; I106-L245 HydrophobicContact CB-CB 4.3Å; I106-L245 PolarHBondContact N-O 3.01Å; I106-L245 PolarHBondContact O-N 3.29Å; I106-L247 HydrophobicContact CD1-CD1 3.54Å; I106-L247 HydrophobicContact CD1-CG 4.18Å
107	K	84.2	Confident	67.6	Low	107 Å²	107	69.8 Å²	69.8	47%	0.465	37%	0.37	S	S	.	.			trans	-83.1	151	175.2	-68.8	-178.4	178.3	-178.6	0	110.5	E73 L105	E73-K107 WeakPolarHBondContact OE1-CE 3.39Å; E73-K107 IonicContact OE1-NZ 2.59Å; E73-K107 PolarHBondContact OE1-NZ 3.24Å; L105-K107 HydrophobicContact CD2-CG 4.35Å
108	P	84.3	Confident	68.1	Low	19 Å²	19	68.9 Å²	68.9	12%	0.123	37%	0.365	C	S	.	.			trans	-62.6	147.8	169.2	27.9	-32.7	0	0	0	110.2	L125 S126 Y127	P108-L125 HydrophobicContact CB-CD2 4.36Å; P108-S126 CarbonylContact C-O 3.59Å; P108-S126 WeakPolarHBondContact CA-O 3.48Å; P108-Y127 HydrophobicContact CB-CD1 4.38Å; P108-Y127 HydrophobicContact CB-CE1 3.91Å; P108-Y127 HydrophobicContact CG-CE1 4.44Å
109	Q	78.1	Confident	68.6	Low	106 Å²	106	68.5 Å²	68.5	50%	0.495	36%	0.363	S	S	.	.	S	Bend	trans	-67.5	-40.8	179.2	-65.8	-163.7	38	0	0	111.6	S126	Q109-S126 PolarHBondContact N-O 3.25Å
110	D	67.4	Low	68.8	Low	100 Å²	100	66.7 Å²	66.7	54%	0.535	35%	0.353	S	S	.	.	S	Bend	trans	-122.5	129.2	177.8	-61.3	-53.1	0	0	0	110.5	C112	D110-C112 PolarHBondContact O-N 2.81Å; D110-C112 VanDerWaalsContact O-N 3.07Å
111	E	59.3	Low	68.7	Low	154 Å²	154	65.7 Å²	65.7	72%	0.72	35%	0.349	S	S	*	.			trans	-80.9	70.4	168	-70.5	-171.5	175.9	0	0	109.2	P113	E111-P113 WeakPolarHBondContact O-CD 3.35Å
112	C	52.6	Low	68.8	Low	58 Å²	58	68.5 Å²	68.5	39%	0.392	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-67.3	122.1	172.2	-72	0	0	0	0	109.3	D110 A114	D110-C112 PolarHBondContact O-N 2.81Å; D110-C112 VanDerWaalsContact O-N 3.07Å; C112-A114 PolarHBondContact O-N 3.46Å
113	P	52.7	Low	68.8	Low	121 Å²	121	68.5 Å²	68.5	79%	0.786	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-61.6	133.9	173.8	24.7	-30.9	0	0	0	108.9	E111 Q115	E111-P113 WeakPolarHBondContact O-CD 3.35Å; P113-Q115 PolarHBondContact O-N 3.23Å
114	A	53.6	Low	68.8	Low	25 Å²	25	70.9 Å²	70.9	21%	0.207	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-57.1	123.4	178.6	0	0	0	0	0	109.3	C112 S116 F121 T122	C112-A114 PolarHBondContact O-N 3.46Å; A114-S116 PolarHBondContact O-N 2.92Å; A114-F121 HydrophobicContact CB-CB 4.41Å; A114-F121 HydrophobicContact CB-CD1 4.28Å; A114-T122 WeakPolarHBondContact CA-O 3.02Å
115	Q	53.6	Low	68.9	Low	150 Å²	150	70.9 Å²	70.9	70%	0.701	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	112.9	174.8	-160.4	167.3	2.8	0	0	106.7	P113 T122	P113-Q115 PolarHBondContact O-N 3.23Å; Q115-T122 PolarHBondContact N-O 3.03Å; Q115-T122 PolarHBondContact O-N 2.62Å; Q115-T122 PolarHBondContact O-OG1 2.79Å
116	S	51.9	Low	68.9	Low	63 Å²	63	71.1 Å²	71.1	44%	0.441	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.7	-174.7	171.6	0	0	0	0	109.2	A114 F121	A114-S116 PolarHBondContact O-N 2.92Å; S116-F121 WeakPolarHBondContact OG-CE1 3.26Å
117	N	53.3	Low	69	Low	116 Å²	116	70.9 Å²	70.9	62%	0.62	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	152.6	153	-69.3	-13.4	0	0	0	106.6	E119 T120	N117-E119 PolarHBondContact O-N 2.98Å; N117-T120 PolarHBondContact N-O 3.02Å; N117-T120 PolarHBondContact O-N 3.2Å
118	N	56.6	Low	69	Low	128 Å²	128	67.1 Å²	67.1	68%	0.684	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.2	-17.4	-163.7	-68.4	-15	0	0	0	118.8
119	E	61.6	Low	69.1	Low	121 Å²	121	67 Å²	67	57%	0.565	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	-7.7	179.6	-62.2	179.2	166.1	0	0	114.8	N117 C221	N117-E119 PolarHBondContact O-N 2.98Å; E119-C221 PolarHBondContact O-N 3.43Å
120	T	67.4	Low	69.2	Low	50 Å²	50	66.8 Å²	66.8	31%	0.307	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.8	-174.3	54.3	0	0	0	0	112.1	N117 I219	N117-T120 PolarHBondContact N-O 3.02Å; N117-T120 PolarHBondContact O-N 3.2Å; T120-I219 CarbonylContact C-O 3.6Å; T120-I219 WeakPolarHBondContact CA-O 3.14Å
121	F	72.7	Confident	69.5	Low	31 Å²	31	65.5 Å²	65.5	14%	0.136	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.7	174.9	-63.3	-85.1	0	0	0	108.9	A114 S116 N218 I219 F238	A114-F121 HydrophobicContact CB-CB 4.41Å; A114-F121 HydrophobicContact CB-CD1 4.28Å; S116-F121 WeakPolarHBondContact OG-CE1 3.26Å; F121-N218 PolarHBondContact O-OD1 3.16Å; F121-I219 HydrophobicContact CB-CB 4.33Å; F121-I219 PolarHBondContact N-O 3.3Å; F121-I219 PolarHBondContact O-N 3.37Å; F121-F238 HydrophobicContact CE2-CZ 4.46Å
122	T	76.7	Confident	70.5	Confident	64 Å²	64	59.6 Å²	59.6	39%	0.393	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.6	174.1	54.5	0	0	0	0	110	A114 Q115 V217 N218	A114-T122 WeakPolarHBondContact CA-O 3.02Å; Q115-T122 PolarHBondContact N-O 3.03Å; Q115-T122 PolarHBondContact O-N 2.62Å; Q115-T122 PolarHBondContact O-OG1 2.79Å; T122-V217 CarbonylContact C-O 3.59Å; T122-V217 WeakPolarHBondContact CA-O 3.48Å; T122-N218 HydrophobicContact CG2-CB 4.49Å
123	Q	79.6	Confident	71.8	Confident	6 Å²	6	62 Å²	62	3%	0.028	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.8	-179.5	-163.1	168.6	33.1	0	0	110.7	L125 V217 S242	Q123-L125 HydrophobicContact CB-CG 4.49Å; Q123-L125 HydrophobicContact CG-CD1 4.37Å; Q123-L125 HydrophobicContact CG-CD2 3.62Å; Q123-L125 HydrophobicContact CG-CG 3.81Å; Q123-V217 HydrophobicContact CB-CB 4.41Å; Q123-V217 PolarHBondContact N-O 2.97Å; Q123-V217 PolarHBondContact O-N 3.27Å; Q123-S242 PolarHBondContact NE2-OG 3.08Å
124	D	82.4	Confident	73.1	Confident	51 Å²	51	68.6 Å²	68.6	27%	0.273	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.3	171.3	-164.3	-17.5	0	0	0	108.5	R166 L216	D124-R166 IonicContact OD2-CZ 3.92Å; D124-R166 IonicContact OD2-NH1 2.74Å; D124-R166 PolarHBondContact OD2-NH1 3.39Å; D124-L216 HydrophobicContact CB-CD2 4Å
125	L	86.6	Confident	74.4	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.1	-173.5	-63.2	172.4	0	0	0	109.7	P108 Q123 Y127 H214 L215 V217 P243	P108-L125 HydrophobicContact CB-CD2 4.36Å; Q123-L125 HydrophobicContact CB-CG 4.49Å; Q123-L125 HydrophobicContact CG-CD1 4.37Å; Q123-L125 HydrophobicContact CG-CD2 3.62Å; Q123-L125 HydrophobicContact CG-CG 3.81Å; L125-Y127 HydrophobicContact CB-CD2 4.5Å; L125-Y127 HydrophobicContact CB-CE2 3.67Å; L125-Y127 HydrophobicContact CD1-CE2 4.42Å; L125-H214 CarbonylContact O-C 3.58Å; L125-H214 WeakPolarHBondContact O-CA 3.29Å; L125-L215 HydrophobicContact CB-CB 4.43Å; L125-L215 PolarHBondContact N-O 3.25Å; L125-L215 PolarHBondContact O-N 2.88Å; L125-V217 HydrophobicContact CD1-CG2 3.7Å; L125-P243 HydrophobicContact CD1-CG 3.84Å
126	S	86.3	Confident	75.8	Confident	19 Å²	19	66.9 Å²	66.9	13%	0.133	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.8	177.7	-59.5	0	0	0	0	109.8	P108 Q109 H214	P108-S126 CarbonylContact C-O 3.59Å; P108-S126 WeakPolarHBondContact CA-O 3.48Å; Q109-S126 PolarHBondContact N-O 3.25Å; S126-H214 WeakPolarHBondContact CB-ND1 3.34Å; S126-H214 PolarHBondContact OG-CE1 3.43Å; S126-H214 VanDerWaalsContact OG-CE1 3.29Å; S126-H214 PolarHBondContact OG-ND1 2.85Å
127	Y	87.4	Confident	77.3	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.1	179.4	-59.1	-84.3	0	0	0	110.6	I106 P108 L125 L143 N212 V213 L215 P243 L245	I106-Y127 HydrophobicContact CG2-CD1 4.14Å; P108-Y127 HydrophobicContact CB-CD1 4.38Å; P108-Y127 HydrophobicContact CB-CE1 3.91Å; P108-Y127 HydrophobicContact CG-CE1 4.44Å; L125-Y127 HydrophobicContact CB-CD2 4.5Å; L125-Y127 HydrophobicContact CB-CE2 3.67Å; L125-Y127 HydrophobicContact CD1-CE2 4.42Å; Y127-L143 HydrophobicContact CE2-CD2 4.07Å; Y127-L143 WeakPolarHBondContact OH-CD2 3.44Å; Y127-N212 VanDerWaalsContact O-CA 3.29Å; Y127-N212 WeakPolarHBondContact O-CA 3.4Å; Y127-V213 PolarHBondContact N-O 3.46Å; Y127-V213 PolarHBondContact O-N 2.74Å; Y127-L215 HydrophobicContact CE2-CD1 4.31Å; Y127-P243 PolarHBondContact OH-O 3.15Å; Y127-L245 HydrophobicContact CD1-CB 3.74Å; Y127-L245 HydrophobicContact CD1-CD2 4.3Å; Y127-L245 HydrophobicContact CD2-CD2 4.32Å; Y127-L245 HydrophobicContact CE1-CB 3.68Å; Y127-L245 HydrophobicContact CE2-CB 4.5Å; Y127-L245 HydrophobicContact CG-CB 4.19Å; Y127-L245 HydrophobicContact CG-CD2 3.99Å
128	S	85.6	Confident	78.9	Confident	27 Å²	27	64.6 Å²	64.6	19%	0.189	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.5	165.6	161.7	0	0	0	0	109.7	I106 D130 N212	I106-S128 VanDerWaalsContact CG2-O 3.32Å; I106-S128 WeakPolarHBondContact CG2-O 3.27Å; S128-D130 WeakPolarHBondContact OG-CB 3.19Å; S128-D130 VanDerWaalsContact OG-CG 3.28Å; S128-D130 PolarHBondContact OG-N 3.32Å; S128-D130 PolarHBondContact OG-OD2 2.99Å; S128-N212 WeakPolarHBondContact CA-OD1 3.24Å
129	L	85.2	Confident	80.3	Confident	17 Å²	17	61.3 Å²	61.3	9%	0.089	29%	0.291	C	S	.	.			trans	-98	12.4	176.2	-55.5	-171.8	0	0	0	112.1	I106 Q131 V132 L205 R211 V213 L245 L247	I106-L129 HydrophobicContact CD1-CD2 3.43Å; I106-L129 VanDerWaalsContact CD1-CD2 3.43Å; L129-Q131 PolarHBondContact O-N 3.26Å; L129-V132 HydrophobicContact CB-CG2 4.23Å; L129-V132 WeakPolarHBondContact O-CB 3.45Å; L129-V132 WeakPolarHBondContact O-CG2 3.49Å; L129-V132 PolarHBondContact O-N 2.81Å; L129-L205 HydrophobicContact CD1-CD2 3.91Å; L129-L205 HydrophobicContact CD1-CG 4.45Å; L129-R211 PolarHBondContact N-O 2.77Å; L129-V213 HydrophobicContact CD1-CG2 3.74Å; L129-V213 HydrophobicContact CG-CG2 4.31Å; L129-L245 HydrophobicContact CD2-CD2 3.84Å; L129-L247 HydrophobicContact CD2-CD1 4.22Å
130	D	80.3	Confident	81.5	Confident	102 Å²	102	58.6 Å²	58.6	55%	0.545	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.3	-179	-66.3	-45.3	0	0	0	113.2	S128 V132	S128-D130 WeakPolarHBondContact OG-CB 3.19Å; S128-D130 VanDerWaalsContact OG-CG 3.28Å; S128-D130 PolarHBondContact OG-N 3.32Å; S128-D130 PolarHBondContact OG-OD2 2.99Å; D130-V132 VanDerWaalsContact C-N 3.3Å
131	Q	74.4	Confident	82.5	Confident	72 Å²	72	56.2 Å²	56.2	34%	0.336	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.1	175.2	-59.3	-178.6	-2.6	0	0	113.1	R104 L129 R133 D408	R104-Q131 PolarHBondContact NE-O 2.85Å; R104-Q131 PolarHBondContact NH1-O 2.9Å; L129-Q131 PolarHBondContact O-N 3.26Å; Q131-R133 PolarHBondContact O-N 2.98Å; Q131-D408 PolarHBondContact NE2-O 2.86Å
132	V	79.8	Confident	83.3	Confident	31 Å²	31	54.8 Å²	54.8	19%	0.188	26%	0.256	C	S	.	.	S	Bend	trans	-74.9	120.6	-179.8	-175.5	0	0	0	0	109.3	I106 L129 D130 E136 L247 L249	I106-V132 HydrophobicContact CD1-CG2 4.41Å; L129-V132 HydrophobicContact CB-CG2 4.23Å; L129-V132 WeakPolarHBondContact O-CB 3.45Å; L129-V132 WeakPolarHBondContact O-CG2 3.49Å; L129-V132 PolarHBondContact O-N 2.81Å; D130-V132 VanDerWaalsContact C-N 3.3Å; V132-E136 HydrophobicContact CG1-CB 4.27Å; V132-L247 HydrophobicContact CG2-CD1 3.52Å; V132-L249 HydrophobicContact CG1-CD1 4.16Å
133	R	80.3	Confident	83.8	Confident	108 Å²	108	51.8 Å²	51.8	41%	0.408	24%	0.238	S	C	.	.			trans	-78.4	151.4	-175.9	-61	178.3	177.9	152.7	9.6	110.5	Q131 K135 E136 E406 D408	Q131-R133 PolarHBondContact O-N 2.98Å; R133-K135 PolarHBondContact O-N 3Å; R133-E136 HydrophobicContact CB-CG 4.02Å; R133-E136 PolarHBondContact N-OE2 3.08Å; R133-E136 WeakPolarHBondContact O-CB 3.15Å; R133-E136 PolarHBondContact O-N 3.09Å; R133-E406 IonicContact CZ-OE2 3.53Å; R133-E406 IonicContact NH1-OE1 3.44Å; R133-E406 IonicContact NH1-OE2 3.77Å; R133-E406 IonicContact NH2-OE2 2.73Å; R133-E406 PolarHBondContact NH2-OE2 2.88Å; R133-D408 IonicContact NH2-OD2 2.8Å
134	R	79	Confident	84.2	Confident	259 Å²	259	51.5 Å²	51.5	98%	0.977	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.8	177.1	-61.9	-175.1	-173.3	174.5	2.1	114.7
135	K	80.8	Confident	84	Confident	132 Å²	132	49.1 Å²	49.1	57%	0.574	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.9	179.3	-65.6	-173.9	179.8	179.4	0	113.5	R133 T252	R133-K135 PolarHBondContact O-N 3Å; K135-T252 PolarHBondContact O-N 2.78Å; K135-T252 PolarHBondContact O-OG1 3.47Å
136	E	83	Confident	83.5	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.2	178.6	-67.8	170	166.4	0	0	109.6	R104 V132 R133 L249 N250 D251	R104-E136 IonicContact CZ-OE1 2.87Å; R104-E136 IonicContact CZ-OE2 2.68Å; R104-E136 IonicContact NE-OE1 2.82Å; R104-E136 PolarHBondContact NE-OE1 2.82Å; R104-E136 IonicContact NE-OE2 3.83Å; R104-E136 PolarHBondContact NE-OE2 3.1Å; R104-E136 IonicContact NH2-OE1 2.72Å; R104-E136 PolarHBondContact NH2-OE1 3.26Å; R104-E136 IonicContact NH2-OE2 3.78Å; R104-E136 PolarHBondContact NH2-OE2 3.34Å; V132-E136 HydrophobicContact CG1-CB 4.27Å; R133-E136 HydrophobicContact CB-CG 4.02Å; R133-E136 PolarHBondContact N-OE2 3.08Å; R133-E136 WeakPolarHBondContact O-CB 3.15Å; R133-E136 PolarHBondContact O-N 3.09Å; E136-L249 HydrophobicContact CB-CB 4.31Å; E136-L249 HydrophobicContact CB-CD1 4.02Å; E136-L249 HydrophobicContact CG-CD1 4.42Å; E136-N250 WeakPolarHBondContact CA-O 3.36Å; E136-D251 HydrophobicContact CG-CB 3.88Å
137	Q	85.1	Confident	82.6	Confident	115 Å²	115	50 Å²	50	54%	0.537	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.4	176	-65.9	-178.4	-24.2	0	0	109.8	L139 L249 N250	Q137-L139 PolarHBondContact O-N 3.42Å; Q137-L249 CarbonylContact O-C 3.53Å; Q137-L249 VanDerWaalsContact O-CA 3.29Å; Q137-L249 WeakPolarHBondContact O-CA 3.49Å; Q137-N250 PolarHBondContact N-O 2.86Å; Q137-N250 PolarHBondContact O-N 3.18Å
138	L	86.1	Confident	81.2	Confident	15 Å²	15	52.9 Å²	52.9	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.8	175.2	-178	66.4	0	0	0	110.5	K140 L205 V208 L247 L249	L138-K140 WeakPolarHBondContact CD1-O 3.23Å; L138-L205 HydrophobicContact CD2-CB 3.55Å; L138-L205 HydrophobicContact CD2-CD2 4.17Å; L138-V208 HydrophobicContact CB-CB 4.49Å; L138-V208 HydrophobicContact CB-CG1 3.91Å; L138-V208 HydrophobicContact CB-CG2 3.63Å; L138-V208 HydrophobicContact CD2-CG2 4.42Å; L138-L247 HydrophobicContact CD1-CB 4.02Å; L138-L247 HydrophobicContact CD1-CD2 3.97Å; L138-L247 HydrophobicContact CD1-CG 4.46Å; L138-L249 HydrophobicContact CB-CD2 3.99Å; L138-L249 HydrophobicContact CD1-CD2 3.58Å; L138-L249 HydrophobicContact CG-CD2 4.42Å
139	L	85.5	Confident	79.7	Confident	59 Å²	59	56.9 Å²	56.9	31%	0.309	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-47.3	173.3	-60.9	-179.3	0	0	0	110.8	Q137 Y248 N250	Q137-L139 PolarHBondContact O-N 3.42Å; L139-Y248 PolarHBondContact N-O 3.18Å; L139-N250 HydrophobicContact CD1-CB 4.05Å; L139-N250 HydrophobicContact CG-CB 4.3Å
140	K	87.5	Confident	77.9	Confident	65 Å²	65	61.7 Å²	61.7	28%	0.283	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.7	-178.7	178.6	-178.5	-177.1	-175.7	0	110.6	L138 S142 Y248	L138-K140 WeakPolarHBondContact CD1-O 3.23Å; K140-S142 WeakPolarHBondContact CE-OG 3.12Å; K140-Y248 HydrophobicContact CB-CD2 3.88Å; K140-Y248 HydrophobicContact CB-CG 4.3Å; K140-Y248 HydrophobicContact CD-CD2 3.98Å; K140-Y248 HydrophobicContact CD-CE2 4.16Å; K140-Y248 HydrophobicContact CG-CD2 3.88Å; K140-Y248 HydrophobicContact CG-CE2 4.39Å; K140-Y248 PolarHBondContact N-O 3.03Å; K140-Y248 PolarHBondContact O-N 3.03Å
141	S	88.8	Confident	76.3	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.4	169.5	66.8	0	0	0	0	111.7	D200 V201 T202 I246	S141-D200 VanDerWaalsContact O-OD1 3.11Å; S141-V201 PolarHBondContact O-N 2.71Å; S141-V201 PolarHBondContact OG-O 3.37Å; S141-T202 PolarHBondContact N-OG1 2.88Å; S141-T202 PolarHBondContact O-OG1 3.47Å; S141-T202 WeakPolarHBondContact OG-CA 3.41Å; S141-T202 PolarHBondContact OG-N 3.25Å; S141-T202 VanDerWaalsContact OG-N 3.09Å; S141-I246 CarbonylContact C-O 3.38Å; S141-I246 VanDerWaalsContact CA-O 3.27Å; S141-I246 WeakPolarHBondContact CA-O 3.36Å
142	S	89.3	Confident	75	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	140.5	-178.8	-55.1	0	0	0	0	112.2	K140 V199 I246	K140-S142 WeakPolarHBondContact CE-OG 3.12Å; S142-V199 CarbonylContact C-O 3.57Å; S142-V199 WeakPolarHBondContact CA-O 3.27Å; S142-V199 WeakPolarHBondContact CB-O 3.35Å; S142-I246 PolarHBondContact N-O 3.2Å; S142-I246 PolarHBondContact O-N 3.1Å
143	L	87.6	Confident	73.2	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	129.4	168	-64.8	178.3	0	0	0	109.5	Y127 Y145 I163 E198 V199 V201 L215 V217 P243 L245	Y127-L143 HydrophobicContact CE2-CD2 4.07Å; Y127-L143 WeakPolarHBondContact OH-CD2 3.44Å; L143-Y145 HydrophobicContact CB-CD2 4.48Å; L143-Y145 HydrophobicContact CB-CE2 3.97Å; L143-Y145 HydrophobicContact CD1-CE2 4.44Å; L143-I163 HydrophobicContact CD1-CD1 3.93Å; L143-E198 WeakPolarHBondContact O-CA 3.11Å; L143-V199 HydrophobicContact CB-CB 4.5Å; L143-V199 PolarHBondContact N-O 3.16Å; L143-V199 PolarHBondContact O-N 3.46Å; L143-V201 HydrophobicContact CD1-CG1 3.93Å; L143-V201 HydrophobicContact CG-CG1 3.86Å; L143-V201 HydrophobicContact CG-CG2 4.13Å; L143-L215 HydrophobicContact CD1-CD1 4.16Å; L143-L215 HydrophobicContact CD2-CD1 4.39Å; L143-V217 HydrophobicContact CD1-CG2 4.36Å; L143-P243 HydrophobicContact CB-CB 4.3Å; L143-P243 HydrophobicContact CB-CG 4.25Å; L143-P243 HydrophobicContact CD1-CG 4.45Å; L143-P243 HydrophobicContact CD2-CG 4.31Å; L143-L245 HydrophobicContact CD2-CB 4.25Å; L143-L245 HydrophobicContact CD2-CD1 3.95Å
144	L	86.5	Confident	71.6	Confident	1 Å²	1	65 Å²	65	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	103.1	-178.9	-178.6	70.3	0	0	0	111.1	Y76 Y79 W196 E198 P243 P244 I246	Y76-L144 HydrophobicContact CD1-CD2 4.06Å; Y76-L144 HydrophobicContact CE1-CD2 4.41Å; Y79-L144 HydrophobicContact CD1-CD1 4.42Å; Y79-L144 HydrophobicContact CD1-CD2 3.72Å; Y79-L144 HydrophobicContact CD2-CD1 3.78Å; Y79-L144 HydrophobicContact CD2-CD2 4.25Å; Y79-L144 HydrophobicContact CE1-CD1 4.22Å; Y79-L144 HydrophobicContact CE1-CD2 4.03Å; Y79-L144 HydrophobicContact CE2-CD1 3.51Å; Y79-L144 HydrophobicContact CG-CD1 4.24Å; Y79-L144 HydrophobicContact CG-CD2 3.85Å; L144-W196 HydrophobicContact CD1-CB 4.02Å; L144-W196 HydrophobicContact CD1-CD2 4.4Å; L144-W196 HydrophobicContact CD1-CE3 3.88Å; L144-W196 HydrophobicContact CD2-CD2 4.39Å; L144-W196 HydrophobicContact CD2-CE3 3.66Å; L144-W196 HydrophobicContact CD2-CH2 4.5Å; L144-W196 HydrophobicContact CD2-CZ3 3.67Å; L144-W196 HydrophobicContact CG-CD2 4.49Å; L144-W196 HydrophobicContact CG-CE3 3.58Å; L144-W196 HydrophobicContact CG-CZ3 3.91Å; L144-E198 HydrophobicContact CD1-CG 4.18Å; L144-P243 VanDerWaalsContact O-CB 3.25Å; L144-P243 WeakPolarHBondContact O-CB 3.29Å; L144-P244 HydrophobicContact CB-CG 4.16Å; L144-P244 HydrophobicContact CD2-CG 4.41Å; L144-P244 PolarHBondContact N-O 3.49Å; L144-P244 WeakPolarHBondContact O-CD 3.17Å; L144-I246 HydrophobicContact CB-CD1 3.71Å; L144-I246 HydrophobicContact CB-CG1 4.12Å; L144-I246 HydrophobicContact CD1-CD1 4.37Å; L144-I246 HydrophobicContact CD2-CD1 3.69Å; L144-I246 HydrophobicContact CG-CD1 4.1Å
145	Y	79.8	Confident	70.1	Confident	1 Å²	1	56 Å²	56	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.5	174.7	-73.1	-83.7	0	0	0	111.5	L143 F147 L161 W196 V197 V199 V217 I219 L240 P243	L143-Y145 HydrophobicContact CB-CD2 4.48Å; L143-Y145 HydrophobicContact CB-CE2 3.97Å; L143-Y145 HydrophobicContact CD1-CE2 4.44Å; Y145-F147 HydrophobicContact CG-CZ 4.37Å; Y145-L161 HydrophobicContact CD2-CD1 4.45Å; Y145-L161 HydrophobicContact CE2-CD1 3.72Å; Y145-W196 VanDerWaalsContact O-CA 3.31Å; Y145-W196 WeakPolarHBondContact O-CA 3.02Å; Y145-V197 PolarHBondContact N-O 3.18Å; Y145-V197 PolarHBondContact O-N 2.85Å; Y145-V199 HydrophobicContact CD2-CG2 3.93Å; Y145-V199 HydrophobicContact CE2-CG2 4.06Å; Y145-V217 WeakPolarHBondContact OH-CG1 3.39Å; Y145-I219 HydrophobicContact CE1-CD1 4.24Å; Y145-L240 HydrophobicContact CD1-CD1 4.01Å; Y145-L240 HydrophobicContact CD1-CG 4.42Å; Y145-L240 HydrophobicContact CE1-CD1 4.47Å; Y145-L240 HydrophobicContact CE1-CD2 4.26Å; Y145-P243 HydrophobicContact CD1-CB 4.04Å; Y145-P243 HydrophobicContact CD1-CG 4.22Å; Y145-P243 HydrophobicContact CD2-CB 4.37Å; Y145-P243 HydrophobicContact CE1-CB 3.97Å; Y145-P243 HydrophobicContact CE1-CG 3.63Å; Y145-P243 HydrophobicContact CE2-CB 4.3Å; Y145-P243 HydrophobicContact CE2-CG 4.12Å; Y145-P243 HydrophobicContact CG-CB 4.25Å
146	S	75.3	Confident	68.6	Low	11 Å²	11	52.4 Å²	52.4	8%	0.077	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.5	163.5	51.1	0	0	0	0	110.9	N195	S146-N195 WeakPolarHBondContact CA-O 3.42Å
147	F	68.4	Low	67.4	Low	25 Å²	25	52.6 Å²	52.6	11%	0.11	31%	0.308	C	S	.	.			trans	-107.6	115.6	171.1	-56.8	-80.3	0	0	0	109.5	Y145 L184 N195 V197 L240	Y145-F147 HydrophobicContact CG-CZ 4.37Å; F147-L184 HydrophobicContact CD1-CD2 3.57Å; F147-L184 HydrophobicContact CD2-CD2 4.23Å; F147-L184 HydrophobicContact CE1-CD2 3.7Å; F147-L184 HydrophobicContact CE2-CD2 4.34Å; F147-L184 HydrophobicContact CG-CD2 3.85Å; F147-L184 HydrophobicContact CZ-CD2 4.09Å; F147-N195 PolarHBondContact N-O 3.48Å; F147-V197 HydrophobicContact CD2-CG2 4.25Å; F147-V197 HydrophobicContact CE2-CB 4.07Å; F147-V197 HydrophobicContact CE2-CG2 3.72Å; F147-L240 HydrophobicContact CD1-CD1 4.07Å; F147-L240 HydrophobicContact CE1-CD1 3.57Å; F147-L240 HydrophobicContact CZ-CD1 4.46Å
148	N	56.5	Low	66.5	Low	61 Å²	61	49 Å²	49	33%	0.326	29%	0.294	S	S	.	.			trans	-92.7	94.7	168.2	-69.9	-29.5	0	0	0	107.6	N150	N148-N150 PolarHBondContact O-N 2.86Å; N148-N150 VanDerWaalsContact O-N 3.12Å
149	L	54.3	Low	65.8	Low	112 Å²	112	48.3 Å²	48.3	59%	0.586	29%	0.29	S	S	*	.	B	Isolated β-bridge	trans	-75.2	97.7	172.5	-76.1	149.2	0	0	0	108	N151	L149-N151 PolarHBondContact O-N 3.14Å
150	N	47.4	Very low	65.4	Low	118 Å²	118	51 Å²	51	63%	0.631	30%	0.297	S	S	*	.	S	Bend	trans	-71.1	-15.4	177.1	-69.5	-20.5	0	0	0	112.3	N148	N148-N150 PolarHBondContact O-N 2.86Å; N148-N150 VanDerWaalsContact O-N 3.12Å
151	N	46.8	Very low	65	Low	108 Å²	108	48 Å²	48	58%	0.578	29%	0.285	S	S	*	.			trans	-143.5	114	-179.4	-142.5	-10.3	0	0	0	110.9	L149 A153 A154	L149-N151 PolarHBondContact O-N 3.14Å; N151-A153 PolarHBondContact O-N 2.54Å; N151-A153 VanDerWaalsContact O-N 3.15Å; N151-A154 PolarHBondContact O-N 2.7Å
152	P	46.7	Very low	64.6	Low	131 Å²	131	49.8 Å²	49.8	85%	0.851	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-3.4	-176.8	27.7	-33.4	0	0	0	114.2
153	A	43	Very low	64.3	Low	84 Å²	84	49.8 Å²	49.8	69%	0.694	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-2.8	179.2	0	0	0	0	0	114.1	N151 V155	N151-A153 PolarHBondContact O-N 2.54Å; N151-A153 VanDerWaalsContact O-N 3.15Å; A153-V155 PolarHBondContact O-N 3.02Å; A153-V155 VanDerWaalsContact O-N 3.13Å
154	A	47	Very low	64.1	Low	60 Å²	60	55.9 Å²	55.9	50%	0.496	32%	0.323	S	S	.	.			trans	-84.9	87	178.7	0	0	0	0	0	111.1	N151	N151-A154 PolarHBondContact O-N 2.7Å
155	V	46.3	Very low	63.8	Low	69 Å²	69	58.3 Å²	58.3	42%	0.418	33%	0.334	S	S	.	.			trans	37.8	114.9	135.9	-169.8	0	0	0	0	117.3	A153 S157 E224	A153-V155 PolarHBondContact O-N 3.02Å; A153-V155 VanDerWaalsContact O-N 3.13Å; V155-S157 PolarHBondContact O-N 2.87Å; V155-S157 PolarHBondContact O-OG 3.27Å; V155-E224 HydrophobicContact CG1-CB 4.13Å
156	S	50	Low	63.4	Low	57 Å²	57	64.9 Å²	64.9	40%	0.399	36%	0.359	S	S	.	.				66.6	-16.6	104.4	83.7	0	0	0	0	121.3	V158 E224	S156-V158 PolarHBondContact O-N 3.03Å; S156-E224 PolarHBondContact OG-OE2 3.5Å
157	S	56.5	Low	62.9	Low	11 Å²	11	69 Å²	69	8%	0.077	38%	0.377	C	S	.	.			trans	-91.8	108.7	-157.9	30.8	0	0	0	0	111	V155 C159	V155-S157 PolarHBondContact O-N 2.87Å; V155-S157 PolarHBondContact O-OG 3.27Å; S157-C159 PolarHBondContact O-N 3.28Å
158	V	67.2	Low	62.1	Low	39 Å²	39	77 Å²	77	24%	0.236	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	111.8	161.4	174.3	0	0	0	0	106.7	S156 Y160 T181 N183 P222	S156-V158 PolarHBondContact O-N 3.03Å; V158-Y160 HydrophobicContact CG1-CE1 4.49Å; V158-T181 HydrophobicContact CG1-CG2 3.49Å; V158-T181 VanDerWaalsContact CG1-CG2 3.49Å; V158-N183 VanDerWaalsContact CG1-OD1 3.26Å; V158-N183 WeakPolarHBondContact CG1-OD1 3.47Å; V158-P222 WeakPolarHBondContact O-CD 3.47Å
159	C	72.4	Confident	61.6	Low	2 Å²	2	78.2 Å²	78.2	1%	0.014	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.3	175.2	-61.7	0	0	0	0	110	S157 L182 L184 I219 S220 C221	S157-C159 PolarHBondContact O-N 3.28Å; C159-L182 PolarHBondContact N-O 2.95Å; C159-L182 CarbonylContact O-C 3.55Å; C159-L182 WeakPolarHBondContact O-CA 3.39Å; C159-L182 WeakPolarHBondContact O-CB 3.2Å; C159-L182 PolarHBondContact O-N 3.46Å; C159-L182 VanDerWaalsContact O-O 3.07Å; C159-L184 HydrophobicContact CB-CD1 3.55Å; C159-L184 WeakPolarHBondContact SG-CD1 3.38Å; C159-I219 HydrophobicContact CB-CG2 4.24Å; C159-S220 CarbonylContact C-O 3.55Å; C159-S220 WeakPolarHBondContact CA-O 3.03Å; C159-C221 HydrophobicContact CB-CB 4.13Å; C159-C221 WeakPolarHBondContact CB-SG 3.35Å; C159-C221 WeakPolarHBondContact SG-CB 3.33Å; C159-C221 CovalentContact SG-SG 2.03Å; C159-C221 PolarHBondContact SG-SG 2.99Å
160	Y	75.4	Confident	61.2	Low	115 Å²	115	80.8 Å²	80.8	45%	0.451	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.5	173.1	-55	-88.7	0	0	0	108.9	V158 T181 I219 S220 P222	V158-Y160 HydrophobicContact CG1-CE1 4.49Å; Y160-T181 HydrophobicContact CD1-CG2 3.9Å; Y160-T181 HydrophobicContact CE1-CG2 3.78Å; Y160-I219 CarbonylContact O-C 3.53Å; Y160-I219 WeakPolarHBondContact O-CA 3.18Å; Y160-S220 PolarHBondContact N-O 2.9Å; Y160-S220 PolarHBondContact O-N 3.48Å; Y160-P222 HydrophobicContact CE2-CG 4.13Å
161	L	80.8	Confident	61.2	Low	3 Å²	3	83.6 Å²	83.6	2%	0.016	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121	179.9	-179.7	139.7	0	0	0	108.9	Y145 I163 S179 H180 L182 V199 V217 N218 I219	Y145-L161 HydrophobicContact CD2-CD1 4.45Å; Y145-L161 HydrophobicContact CE2-CD1 3.72Å; L161-I163 HydrophobicContact CD2-CD1 3.68Å; L161-I163 HydrophobicContact CD2-CG1 3.53Å; L161-I163 HydrophobicContact CG-CG1 4.5Å; L161-S179 CarbonylContact O-C 3.56Å; L161-H180 HydrophobicContact CD2-CB 4.37Å; L161-H180 PolarHBondContact N-O 3.01Å; L161-H180 PolarHBondContact O-N 2.78Å; L161-H180 VanDerWaalsContact O-O 3.1Å; L161-L182 HydrophobicContact CB-CD1 3.72Å; L161-L182 HydrophobicContact CB-CG 4.17Å; L161-L182 HydrophobicContact CD1-CD1 3.7Å; L161-L182 HydrophobicContact CG-CD1 4.24Å; L161-V199 HydrophobicContact CD2-CG1 3.83Å; L161-V199 HydrophobicContact CD2-CG2 4.35Å; L161-V217 HydrophobicContact CD1-CG1 3.84Å; L161-V217 HydrophobicContact CD2-CG1 4.44Å; L161-V217 HydrophobicContact CG-CG1 3.91Å; L161-N218 CarbonylContact C-O 3.52Å; L161-N218 WeakPolarHBondContact CA-O 3.27Å; L161-I219 HydrophobicContact CB-CG1 4.38Å; L161-I219 HydrophobicContact CD1-CD1 3.69Å; L161-I219 HydrophobicContact CD1-CG1 3.67Å; L161-I219 HydrophobicContact CG-CG1 4.03Å
162	S	79.8	Confident	61.2	Low	37 Å²	37	81.7 Å²	81.7	26%	0.259	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.9	176.5	-178.3	0	0	0	0	109.2	V217 N218	S162-V217 WeakPolarHBondContact O-CA 3.39Å; S162-N218 PolarHBondContact N-O 3.36Å; S162-N218 PolarHBondContact O-N 2.78Å
163	I	83.3	Confident	60.9	Low	1 Å²	1	84.8 Å²	84.8	1%	0.005	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.2	178.1	-54.2	176.9	0	0	0	108.6	L143 L161 I178 V199 V201 F204 L215 V217	L143-I163 HydrophobicContact CD1-CD1 3.93Å; L161-I163 HydrophobicContact CD2-CD1 3.68Å; L161-I163 HydrophobicContact CD2-CG1 3.53Å; L161-I163 HydrophobicContact CG-CG1 4.5Å; I163-I178 PolarHBondContact N-O 3.18Å; I163-I178 PolarHBondContact O-N 3.36Å; I163-V199 HydrophobicContact CD1-CG1 3.75Å; I163-V201 HydrophobicContact CD1-CG1 3.52Å; I163-F204 HydrophobicContact CB-CE2 4Å; I163-F204 HydrophobicContact CB-CZ 4.21Å; I163-F204 HydrophobicContact CG2-CD2 4.27Å; I163-F204 HydrophobicContact CG2-CE2 3.62Å; I163-F204 HydrophobicContact CG2-CZ 3.96Å; I163-L215 HydrophobicContact CG2-CB 4.35Å; I163-L215 HydrophobicContact CG2-CD1 4.48Å; I163-L215 HydrophobicContact CG2-CD2 4.2Å; I163-V217 HydrophobicContact CG1-CG1 4.34Å; I163-V217 HydrophobicContact CG1-CG2 4.28Å
164	K	82.4	Confident	61	Low	128 Å²	128	88.6 Å²	88.6	56%	0.557	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.9	171.6	-62.9	-175.8	-179.3	-177	0	109.8	L215 L216	K164-L215 WeakPolarHBondContact O-CA 3.48Å; K164-L216 PolarHBondContact N-O 3.09Å; K164-L216 PolarHBondContact O-N 3.31Å
165	E	80.2	Confident	61.1	Low	51 Å²	51	89.4 Å²	89.4	24%	0.238	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.7	168.5	-175.7	171.1	-165.5	0	0	109.9	F204 K210 L215	E165-F204 HydrophobicContact CB-CD1 3.79Å; E165-F204 HydrophobicContact CB-CE1 4.27Å; E165-K210 IonicContact OE1-NZ 3.95Å; E165-K210 PolarHBondContact OE1-NZ 3.35Å; E165-K210 IonicContact OE2-NZ 3.6Å; E165-K210 PolarHBondContact OE2-NZ 3.15Å; E165-L215 HydrophobicContact CB-CD2 4.43Å
166	R	70.8	Confident	61.4	Low	140 Å²	140	89.6 Å²	89.6	53%	0.528	47%	0.467	S	S	.	.			trans	-94.4	104.3	177.2	-169.1	177.6	-167.5	-179.8	1	109.2	D124 H214 L216	D124-R166 IonicContact OD2-CZ 3.92Å; D124-R166 IonicContact OD2-NH1 2.74Å; D124-R166 PolarHBondContact OD2-NH1 3.39Å; R166-H214 HydrophobicContact CB-CB 3.98Å; R166-H214 PolarHBondContact N-O 3.08Å; R166-L216 HydrophobicContact CB-CD1 4.17Å; R166-L216 HydrophobicContact CB-CG 4.4Å; R166-L216 HydrophobicContact CG-CD1 4.17Å
167	E	64.9	Low	61.7	Low	97 Å²	97	89 Å²	89	45%	0.453	47%	0.47	S	S	.	.			trans	-82.1	144.6	173.7	-73.8	-175.8	160.9	0	0	111.7	S169 C172	E167-S169 VanDerWaalsContact C-N 3.3Å; E167-C172 WeakPolarHBondContact OE2-CB 3.4Å
168	Q	52.8	Low	61.9	Low	193 Å²	193	90.2 Å²	90.2	90%	0.902	48%	0.476	S	S	*	.	S	Bend	trans	-81.8	-4.6	172.5	-75.4	178.4	-10.2	0	0	113.2
169	S	45.3	Very low	61.7	Low	87 Å²	87	93.1 Å²	93.1	61%	0.608	50%	0.498	S	S	*	.	S	Bend	trans	-124.2	120.3	-178.2	-171.3	0	0	0	0	110.1	E167 Q171	E167-S169 VanDerWaalsContact C-N 3.3Å; S169-Q171 PolarHBondContact O-N 2.79Å
170	N	45.8	Very low	61.2	Low	166 Å²	166	96.7 Å²	96.7	89%	0.888	51%	0.514	S	S	*	.	S	Bend	trans	-72.5	50.9	-174.5	-68.6	-32.7	0	0	0	113.7
171	Q	47.5	Very low	60.5	Low	177 Å²	177	94.7 Å²	94.7	83%	0.827	51%	0.514	S	S	*	.			trans	-149.1	63	-179.7	-153	121	28.7	0	0	113.4	S169	S169-Q171 PolarHBondContact O-N 2.79Å
172	C	46.6	Very low	59.6	Low	68 Å²	68	95.1 Å²	95.1	46%	0.459	52%	0.516	S	S	.	.			trans	-140.1	111.2	158.6	-164.6	0	0	0	0	109.7	E167 L174 C175	E167-C172 WeakPolarHBondContact OE2-CB 3.4Å; C172-L174 VanDerWaalsContact C-N 3.29Å; C172-C175 VanDerWaalsContact CB-SG 3.54Å
173	Q	40.4	Very low	58.7	Low	195 Å²	195	97.8 Å²	97.8	91%	0.911	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	2.1	-175.4	-144.5	144.5	-13.1	0	0	112.4
174	L	46.1	Very low	57.3	Low	165 Å²	165	100.4 Å²	100.4	86%	0.864	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.8	44.8	-175.9	-73.1	168.5	0	0	0	112	C172 A176	C172-L174 VanDerWaalsContact C-N 3.29Å; L174-A176 PolarHBondContact O-N 3.4Å
175	C	49.1	Very low	55.7	Low	76 Å²	76	97 Å²	97	51%	0.514	53%	0.531	S	S	.	.			trans	-64.5	125.4	172.5	-64.2	0	0	0	0	110.5	C172 G177	C172-C175 VanDerWaalsContact CB-SG 3.54Å; C175-G177 PolarHBondContact O-N 3.07Å
176	A	51.7	Low	53.8	Low	73 Å²	73	100.3 Å²	100.3	60%	0.603	55%	0.55	S	S	*	*			trans	-65.9	98.8	173.5	0	0	0	0	0	110.1	L174 F204	L174-A176 PolarHBondContact O-N 3.4Å; A176-F204 WeakPolarHBondContact O-CE1 3.3Å
177	G	57.5	Low	52.4	Low	45 Å²	45	96.1 Å²	96.1	46%	0.464	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-78.7	127	167.8	0	0	0	0	0	109.7	C175	C175-G177 PolarHBondContact O-N 3.07Å
178	I	61.1	Low	51.2	Low	37 Å²	37	95.4 Å²	95.4	19%	0.19	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.8	171.7	-56.3	178.4	0	0	0	107.5	I163 L203 F204	I163-I178 PolarHBondContact N-O 3.18Å; I163-I178 PolarHBondContact O-N 3.36Å; I178-L203 HydrophobicContact CD1-CB 4.17Å; I178-L203 HydrophobicContact CD1-CD1 3.85Å; I178-L203 HydrophobicContact CD1-CG 4.31Å; I178-L203 HydrophobicContact CG1-CD1 4.32Å; I178-F204 HydrophobicContact CB-CE2 4.16Å; I178-F204 HydrophobicContact CB-CZ 4.11Å; I178-F204 HydrophobicContact CD1-CD2 4.11Å; I178-F204 HydrophobicContact CD1-CE2 3.44Å; I178-F204 VanDerWaalsContact CD1-CE2 3.44Å; I178-F204 HydrophobicContact CD1-CZ 3.87Å; I178-F204 HydrophobicContact CG1-CE2 3.78Å; I178-F204 HydrophobicContact CG1-CZ 3.69Å
179	S	62.8	Low	50.6	Low	100 Å²	100	95.4 Å²	95.4	70%	0.699	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.7	167.7	56.4	0	0	0	0	109.3	L161	L161-S179 CarbonylContact O-C 3.56Å
180	H	60.9	Low	50.3	Low	77 Å²	77	100.7 Å²	100.7	36%	0.356	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.4	126.7	177.1	-166.2	-68.2	0	0	0	109.7	L161 V199	L161-H180 HydrophobicContact CD2-CB 4.37Å; L161-H180 PolarHBondContact N-O 3.01Å; L161-H180 PolarHBondContact O-N 2.78Å; L161-H180 VanDerWaalsContact O-O 3.1Å; H180-V199 HydrophobicContact CB-CG1 4.34Å
181	T	61.8	Low	50.2	Low	73 Å²	73	99.1 Å²	99.1	45%	0.448	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.1	173.1	-52.5	0	0	0	0	109.4	V158 Y160	V158-T181 HydrophobicContact CG1-CG2 3.49Å; V158-T181 VanDerWaalsContact CG1-CG2 3.49Å; Y160-T181 HydrophobicContact CD1-CG2 3.9Å; Y160-T181 HydrophobicContact CE1-CG2 3.78Å
182	L	62	Low	50.1	Low	12 Å²	12	102.3 Å²	102.3	6%	0.063	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	105	179.8	-68.2	177.4	0	0	0	110.3	C159 L161 L184 V197 V199	C159-L182 PolarHBondContact N-O 2.95Å; C159-L182 CarbonylContact O-C 3.55Å; C159-L182 WeakPolarHBondContact O-CA 3.39Å; C159-L182 WeakPolarHBondContact O-CB 3.2Å; C159-L182 PolarHBondContact O-N 3.46Å; C159-L182 VanDerWaalsContact O-O 3.07Å; L161-L182 HydrophobicContact CB-CD1 3.72Å; L161-L182 HydrophobicContact CB-CG 4.17Å; L161-L182 HydrophobicContact CD1-CD1 3.7Å; L161-L182 HydrophobicContact CG-CD1 4.24Å; L182-L184 PolarHBondContact O-N 2.89Å; L182-V197 HydrophobicContact CD2-CG1 3.72Å; L182-V199 HydrophobicContact CD2-CG2 4.22Å
183	N	59.1	Low	50.2	Low	93 Å²	93	109.6 Å²	109.6	50%	0.497	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.3	100.7	172	-65.5	-6.6	0	0	0	109.3	V158 T185 D186	V158-N183 VanDerWaalsContact CG1-OD1 3.26Å; V158-N183 WeakPolarHBondContact CG1-OD1 3.47Å; N183-T185 PolarHBondContact O-N 2.85Å; N183-D186 HydrophobicContact CB-CB 4.37Å
184	L	55.3	Low	50.9	Low	55 Å²	55	106.8 Å²	106.8	29%	0.288	55%	0.546	S	S	.	.	S	Bend	trans	-75.8	-7.7	174.7	-71.6	115.4	0	0	0	113.3	F147 C159 L182	F147-L184 HydrophobicContact CD1-CD2 3.57Å; F147-L184 HydrophobicContact CD2-CD2 4.23Å; F147-L184 HydrophobicContact CE1-CD2 3.7Å; F147-L184 HydrophobicContact CE2-CD2 4.34Å; F147-L184 HydrophobicContact CG-CD2 3.85Å; F147-L184 HydrophobicContact CZ-CD2 4.09Å; C159-L184 HydrophobicContact CB-CD1 3.55Å; C159-L184 WeakPolarHBondContact SG-CD1 3.38Å; L182-L184 PolarHBondContact O-N 2.89Å
185	T	48	Very low	51.8	Low	56 Å²	56	103.5 Å²	103.5	34%	0.344	53%	0.529	S	S	.	.	S	Bend	trans	-96.6	-23.9	-171.1	47.8	0	0	0	0	115.5	N183 N187	N183-T185 PolarHBondContact O-N 2.85Å; T185-N187 PolarHBondContact O-N 3.47Å
186	D	41.5	Very low	53	Low	122 Å²	122	102 Å²	102	65%	0.652	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	27.3	-162.6	-167.4	29.1	0	0	0	115.4	N183	N183-D186 HydrophobicContact CB-CB 4.37Å
187	N	40.7	Very low	54.2	Low	51 Å²	51	101 Å²	101	27%	0.273	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147	13.3	-176.9	-93.7	-55.2	0	0	0	118.5	T185 H189 R191	T185-N187 PolarHBondContact O-N 3.47Å; N187-H189 PolarHBondContact O-N 3.25Å; N187-H189 VanDerWaalsContact O-N 3.14Å; N187-R191 HydrophobicContact CB-CB 3.92Å; N187-R191 VanDerWaalsContact CG-CD 3.47Å; N187-R191 WeakPolarHBondContact ND2-CD 3.28Å; N187-R191 PolarHBondContact ND2-NH1 2.72Å; N187-R191 PolarHBondContact O-N 2.83Å; N187-R191 WeakPolarHBondContact OD1-CB 3.46Å; N187-R191 VanDerWaalsContact OD1-CD 3.28Å; N187-R191 WeakPolarHBondContact OD1-CD 3.35Å; N187-R191 WeakPolarHBondContact OD1-CG 3.48Å; N187-R191 PolarHBondContact OD1-N 2.7Å
188	A	40.1	Very low	55.5	Low	83 Å²	83	101.8 Å²	101.8	69%	0.686	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.1	174.3	0	0	0	0	0	113.1
189	H	38.9	Very low	56.6	Low	192 Å²	192	100 Å²	100	89%	0.889	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-19.5	-176.8	-78	-49.5	0	0	0	117.6	N187	N187-H189 PolarHBondContact O-N 3.25Å; N187-H189 VanDerWaalsContact O-N 3.14Å
190	K	39.8	Very low	57.6	Low	199 Å²	199	98.8 Å²	98.8	87%	0.865	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	-9.3	179.8	-82.4	-177.7	179.5	173.4	0	116.7
191	R	43.6	Very low	58.9	Low	132 Å²	132	95.1 Å²	95.1	50%	0.498	45%	0.45	S	S	.	.			trans	-136.9	78.7	173.6	-64.2	178	-164.7	155.3	-7.7	112.4	N187 R193	N187-R191 HydrophobicContact CB-CB 3.92Å; N187-R191 VanDerWaalsContact CG-CD 3.47Å; N187-R191 WeakPolarHBondContact ND2-CD 3.28Å; N187-R191 PolarHBondContact ND2-NH1 2.72Å; N187-R191 PolarHBondContact O-N 2.83Å; N187-R191 WeakPolarHBondContact OD1-CB 3.46Å; N187-R191 VanDerWaalsContact OD1-CD 3.28Å; N187-R191 WeakPolarHBondContact OD1-CD 3.35Å; N187-R191 WeakPolarHBondContact OD1-CG 3.48Å; N187-R191 PolarHBondContact OD1-N 2.7Å; R191-R193 PolarHBondContact O-N 3.35Å
192	R	44.5	Very low	60	Low	244 Å²	244	92.4 Å²	92.4	92%	0.921	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	18.5	158	-78.7	-169.2	174.3	-170.6	-0.8	114.6
193	R	49.1	Very low	61	Low	221 Å²	221	97.3 Å²	97.3	83%	0.834	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	-8.2	-163.7	-80.2	-169.6	178.7	-179.9	1.6	119	R191	R191-R193 PolarHBondContact O-N 3.35Å
194	R	54.9	Low	61.9	Low	137 Å²	137	93.4 Å²	93.4	52%	0.517	44%	0.438	S	S	.	.			trans	-123.5	100.7	179.7	-65.8	-169.4	-171.1	171.7	10	111.2	W196	R194-W196 PolarHBondContact O-N 3.33Å
195	N	64.8	Low	63	Low	95 Å²	95	91 Å²	91	51%	0.508	43%	0.425	S	S	.	.			trans	-86.3	18.6	172.6	-58.6	11.5	0	0	0	111.6	S146 F147	S146-N195 WeakPolarHBondContact CA-O 3.42Å; F147-N195 PolarHBondContact N-O 3.48Å
196	W	74.7	Confident	64	Low	46 Å²	46	93.2 Å²	93.2	17%	0.174	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.1	-165.9	-60.3	105.2	0	0	0	110.2	R75 Y76 Y79 L144 Y145 R194	R75-W196 HydrophobicContact CG-CH2 3.65Å; R75-W196 HydrophobicContact CG-CZ2 3.74Å; R75-W196 WeakPolarHBondContact O-CZ2 3.36Å; Y76-W196 AromaticContact CD1-CH2 3.82Å; Y76-W196 HydrophobicContact CD1-CH2 3.82Å; Y76-W196 HydrophobicContact CD1-CZ3 4.13Å; Y76-W196 AromaticContact CE1-CH2 3.8Å; Y76-W196 HydrophobicContact CE1-CH2 3.8Å; Y76-W196 AromaticContact CE1-CZ3 3.92Å; Y76-W196 HydrophobicContact CE1-CZ3 3.92Å; Y79-W196 HydrophobicContact CD2-CB 4.04Å; Y79-W196 HydrophobicContact CD2-CG 4.04Å; L144-W196 HydrophobicContact CD1-CB 4.02Å; L144-W196 HydrophobicContact CD1-CD2 4.4Å; L144-W196 HydrophobicContact CD1-CE3 3.88Å; L144-W196 HydrophobicContact CD2-CD2 4.39Å; L144-W196 HydrophobicContact CD2-CE3 3.66Å; L144-W196 HydrophobicContact CD2-CH2 4.5Å; L144-W196 HydrophobicContact CD2-CZ3 3.67Å; L144-W196 HydrophobicContact CG-CD2 4.49Å; L144-W196 HydrophobicContact CG-CE3 3.58Å; L144-W196 HydrophobicContact CG-CZ3 3.91Å; Y145-W196 VanDerWaalsContact O-CA 3.31Å; Y145-W196 WeakPolarHBondContact O-CA 3.02Å; R194-W196 PolarHBondContact O-N 3.33Å
197	V	78.1	Confident	64.9	Low	51 Å²	51	91.8 Å²	91.8	31%	0.309	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133	173.1	-176.9	0	0	0	0	109.2	Y145 F147 L182	Y145-V197 PolarHBondContact N-O 3.18Å; Y145-V197 PolarHBondContact O-N 2.85Å; F147-V197 HydrophobicContact CD2-CG2 4.25Å; F147-V197 HydrophobicContact CE2-CB 4.07Å; F147-V197 HydrophobicContact CE2-CG2 3.72Å; L182-V197 HydrophobicContact CD2-CG1 3.72Å
198	E	84.1	Confident	65.7	Low	62 Å²	62	92.5 Å²	92.5	29%	0.29	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.8	173	-69.4	168.2	-139.4	0	0	108.3	Y79 L143 L144 Y248	Y79-E198 HydrophobicContact CE2-CG 4.28Å; Y79-E198 WeakPolarHBondContact CE2-OE1 3.29Å; Y79-E198 WeakPolarHBondContact OH-CG 3.16Å; Y79-E198 PolarHBondContact OH-OE1 3.03Å; L143-E198 WeakPolarHBondContact O-CA 3.11Å; L144-E198 HydrophobicContact CD1-CG 4.18Å; E198-Y248 PolarHBondContact OE2-OH 3.47Å
199	V	84.1	Confident	66.5	Low	0 Å²	0	97.2 Å²	97.2	0%	0	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120	172.3	-179.1	0	0	0	0	108.2	S142 L143 Y145 L161 I163 H180 L182 V201	S142-V199 CarbonylContact C-O 3.57Å; S142-V199 WeakPolarHBondContact CA-O 3.27Å; S142-V199 WeakPolarHBondContact CB-O 3.35Å; L143-V199 HydrophobicContact CB-CB 4.5Å; L143-V199 PolarHBondContact N-O 3.16Å; L143-V199 PolarHBondContact O-N 3.46Å; Y145-V199 HydrophobicContact CD2-CG2 3.93Å; Y145-V199 HydrophobicContact CE2-CG2 4.06Å; L161-V199 HydrophobicContact CD2-CG1 3.83Å; L161-V199 HydrophobicContact CD2-CG2 4.35Å; I163-V199 HydrophobicContact CD1-CG1 3.75Å; H180-V199 HydrophobicContact CB-CG1 4.34Å; L182-V199 HydrophobicContact CD2-CG2 4.22Å; V199-V201 PolarHBondContact O-N 2.94Å
200	D	84.3	Confident	67.9	Low	73 Å²	73	91.1 Å²	91.1	39%	0.39	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128.4	-178.8	-158.2	-35	0	0	0	111.2	S141 T202	S141-D200 VanDerWaalsContact O-OD1 3.11Å; D200-T202 WeakPolarHBondContact OD1-CB 3.41Å; D200-T202 PolarHBondContact OD1-N 3.13Å; D200-T202 PolarHBondContact OD1-OG1 2.93Å
201	V	86.8	Confident	69.7	Low	0 Å²	0	90.5 Å²	90.5	0%	0	41%	0.406	C	S	.	.			trans	-127.7	16.4	178.1	-68.6	0	0	0	0	112.1	S141 L143 I163 V199 L203 F204 L205 L245	S141-V201 PolarHBondContact O-N 2.71Å; S141-V201 PolarHBondContact OG-O 3.37Å; L143-V201 HydrophobicContact CD1-CG1 3.93Å; L143-V201 HydrophobicContact CG-CG1 3.86Å; L143-V201 HydrophobicContact CG-CG2 4.13Å; I163-V201 HydrophobicContact CD1-CG1 3.52Å; V199-V201 PolarHBondContact O-N 2.94Å; V201-L203 PolarHBondContact O-N 3.31Å; V201-L203 VanDerWaalsContact O-N 3.16Å; V201-F204 HydrophobicContact CB-CD2 3.92Å; V201-F204 HydrophobicContact CG1-CD2 4.18Å; V201-F204 HydrophobicContact CG1-CE2 4.42Å; V201-F204 PolarHBondContact O-N 3.29Å; V201-L205 HydrophobicContact CG2-CD1 4.21Å; V201-L205 WeakPolarHBondContact O-CD1 3.13Å; V201-L245 HydrophobicContact CG2-CD1 3.77Å
202	T	85.8	Confident	71.4	Confident	17 Å²	17	87.8 Å²	87.8	10%	0.104	40%	0.401	C	S	.	.	H	α-helix	trans	-54.8	-36.9	-174.4	-54.1	0	0	0	0	113.3	S141 D200 F204 L205 Q206	S141-T202 PolarHBondContact N-OG1 2.88Å; S141-T202 PolarHBondContact O-OG1 3.47Å; S141-T202 WeakPolarHBondContact OG-CA 3.41Å; S141-T202 PolarHBondContact OG-N 3.25Å; S141-T202 VanDerWaalsContact OG-N 3.09Å; D200-T202 WeakPolarHBondContact OD1-CB 3.41Å; D200-T202 PolarHBondContact OD1-N 3.13Å; D200-T202 PolarHBondContact OD1-OG1 2.93Å; T202-F204 VanDerWaalsContact C-N 3.27Å; T202-F204 PolarHBondContact O-N 2.86Å; T202-L205 PolarHBondContact O-N 2.97Å; T202-Q206 HydrophobicContact CG2-CG 4.44Å; T202-Q206 PolarHBondContact O-N 2.98Å
203	L	83.2	Confident	73.3	Confident	115 Å²	115	76.1 Å²	76.1	60%	0.602	36%	0.357	S	S	*	.	H	α-helix	trans	-62.2	-31.3	179.1	-61.3	177	0	0	0	113.4	I178 V201 L205	I178-L203 HydrophobicContact CD1-CB 4.17Å; I178-L203 HydrophobicContact CD1-CD1 3.85Å; I178-L203 HydrophobicContact CD1-CG 4.31Å; I178-L203 HydrophobicContact CG1-CD1 4.32Å; V201-L203 PolarHBondContact O-N 3.31Å; V201-L203 VanDerWaalsContact O-N 3.16Å; L203-L205 VanDerWaalsContact C-N 3.34Å
204	F	77.3	Confident	75.1	Confident	11 Å²	11	68.2 Å²	68.2	5%	0.048	33%	0.33	C	S	.	.	H	α-helix	trans	-77.5	-22.8	-179.3	-59.3	-67.4	0	0	0	112.7	I163 E165 A176 I178 V201 T202 K210 L215	I163-F204 HydrophobicContact CB-CE2 4Å; I163-F204 HydrophobicContact CB-CZ 4.21Å; I163-F204 HydrophobicContact CG2-CD2 4.27Å; I163-F204 HydrophobicContact CG2-CE2 3.62Å; I163-F204 HydrophobicContact CG2-CZ 3.96Å; E165-F204 HydrophobicContact CB-CD1 3.79Å; E165-F204 HydrophobicContact CB-CE1 4.27Å; A176-F204 WeakPolarHBondContact O-CE1 3.3Å; I178-F204 HydrophobicContact CB-CE2 4.16Å; I178-F204 HydrophobicContact CB-CZ 4.11Å; I178-F204 HydrophobicContact CD1-CD2 4.11Å; I178-F204 HydrophobicContact CD1-CE2 3.44Å; I178-F204 VanDerWaalsContact CD1-CE2 3.44Å; I178-F204 HydrophobicContact CD1-CZ 3.87Å; I178-F204 HydrophobicContact CG1-CE2 3.78Å; I178-F204 HydrophobicContact CG1-CZ 3.69Å; V201-F204 HydrophobicContact CB-CD2 3.92Å; V201-F204 HydrophobicContact CG1-CD2 4.18Å; V201-F204 HydrophobicContact CG1-CE2 4.42Å; V201-F204 PolarHBondContact O-N 3.29Å; T202-F204 VanDerWaalsContact C-N 3.27Å; T202-F204 PolarHBondContact O-N 2.86Å; F204-K210 PolarHBondContact O-NZ 2.87Å; F204-L215 HydrophobicContact CB-CD2 4.2Å; F204-L215 HydrophobicContact CD2-CD2 4.37Å; F204-L215 HydrophobicContact CG-CD2 4.17Å
205	L	78.2	Confident	76.5	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-99	-2.6	-176.8	-78.8	83.2	0	0	0	113.6	L129 L138 V201 T202 L203 P207 V208 V213 L245 L247	L129-L205 HydrophobicContact CD1-CD2 3.91Å; L129-L205 HydrophobicContact CD1-CG 4.45Å; L138-L205 HydrophobicContact CD2-CB 3.55Å; L138-L205 HydrophobicContact CD2-CD2 4.17Å; V201-L205 HydrophobicContact CG2-CD1 4.21Å; V201-L205 WeakPolarHBondContact O-CD1 3.13Å; T202-L205 PolarHBondContact O-N 2.97Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L205-P207 CarbonylContact O-C 3.58Å; L205-V208 PolarHBondContact O-N 2.79Å; L205-V213 HydrophobicContact CD1-CG1 4.48Å; L205-V213 HydrophobicContact CG-CG2 4.26Å; L205-L245 HydrophobicContact CD2-CD2 4.16Å; L205-L247 HydrophobicContact CD2-CD2 3.59Å
206	Q	70.2	Confident	77.4	Confident	103 Å²	103	60.6 Å²	60.6	48%	0.481	30%	0.299	S	S	.	.			trans	-96.1	123.2	173.2	-74.2	-177.9	-17.1	0	0	109.9	T202	T202-Q206 HydrophobicContact CG2-CG 4.44Å; T202-Q206 PolarHBondContact O-N 2.98Å
207	P	60	Low	77.9	Confident	92 Å²	92	58.6 Å²	58.6	60%	0.597	29%	0.291	S	S	*	.	S	Bend	cis	-85.2	151.2	3.5	18.5	-6.1	0	0	0	113.9	L205 Q209	L205-P207 CarbonylContact O-C 3.58Å; P207-Q209 PolarHBondContact O-N 2.58Å
208	V	56.5	Low	78.1	Confident	66 Å²	66	59.4 Å²	59.4	40%	0.4	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	12.5	-170.6	-159.5	0	0	0	0	114.9	L138 L205	L138-V208 HydrophobicContact CB-CB 4.49Å; L138-V208 HydrophobicContact CB-CG1 3.91Å; L138-V208 HydrophobicContact CB-CG2 3.63Å; L138-V208 HydrophobicContact CD2-CG2 4.42Å; L205-V208 PolarHBondContact O-N 2.79Å
209	Q	58.2	Low	77.9	Confident	182 Å²	182	56.9 Å²	56.9	85%	0.85	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-4.6	-177.8	-66.5	-179.8	4.7	0	0	113.4	P207 R211	P207-Q209 PolarHBondContact O-N 2.58Å; Q209-R211 PolarHBondContact O-N 3.31Å
210	K	68.4	Low	77.5	Confident	65 Å²	65	58.8 Å²	58.8	28%	0.283	30%	0.296	S	S	.	.			trans	-69.9	123.8	175.9	-64.3	-177.4	-177.7	175.5	0	109.8	E165 F204 V213	E165-K210 IonicContact OE1-NZ 3.95Å; E165-K210 PolarHBondContact OE1-NZ 3.35Å; E165-K210 IonicContact OE2-NZ 3.6Å; E165-K210 PolarHBondContact OE2-NZ 3.15Å; F204-K210 PolarHBondContact O-NZ 2.87Å; K210-V213 HydrophobicContact CB-CG2 4.32Å
211	R	76.2	Confident	77	Confident	186 Å²	186	55.4 Å²	55.4	70%	0.702	28%	0.278	S	S	*	.	S	Bend	trans	-79.2	-31.9	174.2	-69.8	-167.9	-175.3	-173.3	3	112.8	L129 Q209	L129-R211 PolarHBondContact N-O 2.77Å; Q209-R211 PolarHBondContact O-N 3.31Å
212	N	80.6	Confident	76.1	Confident	74 Å²	74	58.4 Å²	58.4	40%	0.396	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.2	178.2	-65.8	-42.7	0	0	0	109.3	Y127 S128	Y127-N212 VanDerWaalsContact O-CA 3.29Å; Y127-N212 WeakPolarHBondContact O-CA 3.4Å; S128-N212 WeakPolarHBondContact CA-OD1 3.24Å
213	V	84.6	Confident	74.9	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.2	174.9	-178.1	0	0	0	0	108.3	Y127 L129 L205 K210 L215	Y127-V213 PolarHBondContact N-O 3.46Å; Y127-V213 PolarHBondContact O-N 2.74Å; L129-V213 HydrophobicContact CD1-CG2 3.74Å; L129-V213 HydrophobicContact CG-CG2 4.31Å; L205-V213 HydrophobicContact CD1-CG1 4.48Å; L205-V213 HydrophobicContact CG-CG2 4.26Å; K210-V213 HydrophobicContact CB-CG2 4.32Å; V213-L215 HydrophobicContact CG1-CD1 4.47Å; V213-L215 HydrophobicContact CG1-CD2 3.77Å; V213-L215 HydrophobicContact CG1-CG 3.9Å
214	H	85.3	Confident	73.4	Confident	55 Å²	55	62.8 Å²	62.8	26%	0.255	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.5	177.5	-64.4	-82.1	0	0	0	108.9	L125 S126 R166	L125-H214 CarbonylContact O-C 3.58Å; L125-H214 WeakPolarHBondContact O-CA 3.29Å; S126-H214 WeakPolarHBondContact CB-ND1 3.34Å; S126-H214 PolarHBondContact OG-CE1 3.43Å; S126-H214 VanDerWaalsContact OG-CE1 3.29Å; S126-H214 PolarHBondContact OG-ND1 2.85Å; R166-H214 HydrophobicContact CB-CB 3.98Å; R166-H214 PolarHBondContact N-O 3.08Å
215	L	85.6	Confident	71.7	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.6	-178.3	-58.9	178.2	0	0	0	109.6	L125 Y127 L143 I163 K164 E165 F204 V213	L125-L215 HydrophobicContact CB-CB 4.43Å; L125-L215 PolarHBondContact N-O 3.25Å; L125-L215 PolarHBondContact O-N 2.88Å; Y127-L215 HydrophobicContact CE2-CD1 4.31Å; L143-L215 HydrophobicContact CD1-CD1 4.16Å; L143-L215 HydrophobicContact CD2-CD1 4.39Å; I163-L215 HydrophobicContact CG2-CB 4.35Å; I163-L215 HydrophobicContact CG2-CD1 4.48Å; I163-L215 HydrophobicContact CG2-CD2 4.2Å; K164-L215 WeakPolarHBondContact O-CA 3.48Å; E165-L215 HydrophobicContact CB-CD2 4.43Å; F204-L215 HydrophobicContact CB-CD2 4.2Å; F204-L215 HydrophobicContact CD2-CD2 4.37Å; F204-L215 HydrophobicContact CG-CD2 4.17Å; V213-L215 HydrophobicContact CG1-CD1 4.47Å; V213-L215 HydrophobicContact CG1-CD2 3.77Å; V213-L215 HydrophobicContact CG1-CG 3.9Å
216	L	84.4	Confident	69.7	Low	72 Å²	72	81.6 Å²	81.6	38%	0.377	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114	166.9	-73.4	166.9	0	0	0	108.1	D124 K164 R166	D124-L216 HydrophobicContact CB-CD2 4Å; K164-L216 PolarHBondContact N-O 3.09Å; K164-L216 PolarHBondContact O-N 3.31Å; R166-L216 HydrophobicContact CB-CD1 4.17Å; R166-L216 HydrophobicContact CB-CG 4.4Å; R166-L216 HydrophobicContact CG-CD1 4.17Å
217	V	84.3	Confident	68.2	Low	3 Å²	3	82 Å²	82	2%	0.018	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.8	176.9	-172.4	0	0	0	0	108.8	T122 Q123 L125 L143 Y145 L161 S162 I163 I219	T122-V217 CarbonylContact C-O 3.59Å; T122-V217 WeakPolarHBondContact CA-O 3.48Å; Q123-V217 HydrophobicContact CB-CB 4.41Å; Q123-V217 PolarHBondContact N-O 2.97Å; Q123-V217 PolarHBondContact O-N 3.27Å; L125-V217 HydrophobicContact CD1-CG2 3.7Å; L143-V217 HydrophobicContact CD1-CG2 4.36Å; Y145-V217 WeakPolarHBondContact OH-CG1 3.39Å; L161-V217 HydrophobicContact CD1-CG1 3.84Å; L161-V217 HydrophobicContact CD2-CG1 4.44Å; L161-V217 HydrophobicContact CG-CG1 3.91Å; S162-V217 WeakPolarHBondContact O-CA 3.39Å; I163-V217 HydrophobicContact CG1-CG1 4.34Å; I163-V217 HydrophobicContact CG1-CG2 4.28Å; V217-I219 HydrophobicContact CG1-CD1 4.05Å; V217-I219 HydrophobicContact CG1-CG1 3.85Å
218	N	83	Confident	67.1	Low	68 Å²	68	80.9 Å²	80.9	36%	0.364	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.1	170.8	-171.9	12.2	0	0	0	109.6	F121 T122 L161 S162	F121-N218 PolarHBondContact O-OD1 3.16Å; T122-N218 HydrophobicContact CG2-CB 4.49Å; L161-N218 CarbonylContact C-O 3.52Å; L161-N218 WeakPolarHBondContact CA-O 3.27Å; S162-N218 PolarHBondContact N-O 3.36Å; S162-N218 PolarHBondContact O-N 2.78Å
219	I	78.9	Confident	66	Low	9 Å²	9	83.2 Å²	83.2	5%	0.046	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117	-177.6	-57.2	170.7	0	0	0	108.1	T120 F121 Y145 C159 Y160 L161 V217 L240	T120-I219 CarbonylContact C-O 3.6Å; T120-I219 WeakPolarHBondContact CA-O 3.14Å; F121-I219 HydrophobicContact CB-CB 4.33Å; F121-I219 PolarHBondContact N-O 3.3Å; F121-I219 PolarHBondContact O-N 3.37Å; Y145-I219 HydrophobicContact CE1-CD1 4.24Å; C159-I219 HydrophobicContact CB-CG2 4.24Å; Y160-I219 CarbonylContact O-C 3.53Å; Y160-I219 WeakPolarHBondContact O-CA 3.18Å; L161-I219 HydrophobicContact CB-CG1 4.38Å; L161-I219 HydrophobicContact CD1-CD1 3.69Å; L161-I219 HydrophobicContact CD1-CG1 3.67Å; L161-I219 HydrophobicContact CG-CG1 4.03Å; V217-I219 HydrophobicContact CG1-CD1 4.05Å; V217-I219 HydrophobicContact CG1-CG1 3.85Å; I219-L240 HydrophobicContact CD1-CD2 3.22Å
220	S	76.3	Confident	64.9	Low	41 Å²	41	82.3 Å²	82.3	29%	0.287	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.6	178.3	59.5	0	0	0	0	110.1	C159 Y160	C159-S220 CarbonylContact C-O 3.55Å; C159-S220 WeakPolarHBondContact CA-O 3.03Å; Y160-S220 PolarHBondContact N-O 2.9Å; Y160-S220 PolarHBondContact O-N 3.48Å
221	C	72.4	Confident	62.9	Low	2 Å²	2	82.2 Å²	82.2	1%	0.014	46%	0.456	C	S	.	.			trans	-116.9	100.7	179.8	-62.7	0	0	0	0	108.8	E119 C159 E223	E119-C221 PolarHBondContact O-N 3.43Å; C159-C221 HydrophobicContact CB-CB 4.13Å; C159-C221 WeakPolarHBondContact CB-SG 3.35Å; C159-C221 WeakPolarHBondContact SG-CB 3.33Å; C159-C221 CovalentContact SG-SG 2.03Å; C159-C221 PolarHBondContact SG-SG 2.99Å; C221-E223 PolarHBondContact O-N 3.24Å
222	P	68.1	Low	60.9	Low	63 Å²	63	84.3 Å²	84.3	41%	0.409	47%	0.47	S	S	.	.			trans	-64.3	135.8	176	27.8	-34.3	0	0	0	110.7	V158 Y160	V158-P222 WeakPolarHBondContact O-CD 3.47Å; Y160-P222 HydrophobicContact CE2-CG 4.13Å
223	E	61.3	Low	58.5	Low	121 Å²	121	91.9 Å²	91.9	57%	0.565	49%	0.493	S	S	*	.			trans	-82.5	125.9	173.4	-164.5	167.6	-166.4	0	0	109.9	C221 Q225 F236	C221-E223 PolarHBondContact O-N 3.24Å; E223-Q225 PolarHBondContact O-N 3.21Å; E223-Q225 VanDerWaalsContact O-N 3.08Å; E223-F236 HydrophobicContact CB-CE2 4.33Å; E223-F236 HydrophobicContact CB-CZ 3.85Å; E223-F236 HydrophobicContact CG-CE2 4.49Å; E223-F236 HydrophobicContact CG-CZ 3.9Å
224	E	52.6	Low	56.1	Low	102 Å²	102	97.1 Å²	97.1	48%	0.477	53%	0.53	S	S	.	.			trans	-70.8	102.3	169.4	-80	-175.5	148.2	0	0	108.5	V155 S156 R226	V155-E224 HydrophobicContact CG1-CB 4.13Å; S156-E224 PolarHBondContact OG-OE2 3.5Å; E224-R226 PolarHBondContact O-N 2.8Å
225	Q	40.4	Very low	54.1	Low	193 Å²	193	97.2 Å²	97.2	90%	0.902	54%	0.535	S	S	*	.			trans	-59	104.6	171.4	-70.1	-175.8	22.8	0	0	109.8	E223	E223-Q225 PolarHBondContact O-N 3.21Å; E223-Q225 VanDerWaalsContact O-N 3.08Å
226	R	37.3	Very low	52.3	Low	217 Å²	217	99 Å²	99	82%	0.819	54%	0.544	S	S	*	.			trans	-91.5	111.3	155.2	-73	-171.9	-171.7	-177.4	2.9	107.8	E224 G228	E224-R226 PolarHBondContact O-N 2.8Å; R226-G228 PolarHBondContact O-N 3.02Å; R226-G228 VanDerWaalsContact O-N 3.07Å
227	A	38.1	Very low	50.2	Low	111 Å²	111	98.6 Å²	98.6	92%	0.917	56%	0.557	S	S	*	*			trans	-58.3	110.1	165.9	0	0	0	0	0	108.8
228	G	36.5	Very low	48.6	Very low	68 Å²	68	100 Å²	100	70%	0.701	56%	0.562	S	S	*	*			trans	168.7	88.6	177	0	0	0	0	0	115.4	R226	R226-G228 PolarHBondContact O-N 3.02Å; R226-G228 VanDerWaalsContact O-N 3.07Å
229	S	33.8	Very low	47.3	Very low	115 Å²	115	100.5 Å²	100.5	80%	0.804	57%	0.568	S	S	*	*			trans	64.7	116.7	152.5	-160.6	0	0	0	0	120.2
230	N	35.1	Very low	46.7	Very low	164 Å²	164	101.3 Å²	101.3	88%	0.877	57%	0.572	S	S	*	*			trans	25.8	112.1	146.8	-72.7	-5.5	0	0	0	119.3
231	G	26.7	Very low	46.5	Very low	62 Å²	62	105.5 Å²	105.5	64%	0.639	58%	0.582	S	S	*	*			trans	151	112.8	156.1	0	0	0	0	0	110.7	R233	G231-R233 PolarHBondContact O-N 2.86Å
232	F	33	Very low	46.8	Very low	230 Å²	230	106.2 Å²	106.2	100%	1.009	59%	0.587	S	S	*	*			trans	-40.6	102.9	166.7	-108.7	-103.4	0	0	0	109.9
233	R	30.1	Very low	47.6	Very low	233 Å²	233	103.3 Å²	103.3	88%	0.879	57%	0.568	S	S	*	*			trans	-109	119	169.6	-83.8	-172.8	179.1	-167.1	1.5	107.6	G231	G231-R233 PolarHBondContact O-N 2.86Å
234	S	35.5	Very low	48.9	Very low	111 Å²	111	97.7 Å²	97.7	78%	0.776	54%	0.542	S	S	*	.			trans	-52.4	140.9	173.3	-172.5	0	0	0	0	110.6	F236	S234-F236 PolarHBondContact O-N 2.72Å
235	P	44	Very low	50.6	Low	56 Å²	56	92.9 Å²	92.9	36%	0.364	52%	0.519	S	S	.	.	S	Bend	trans	-70.6	129.3	-176.6	-5.4	21.9	0	0	0	109.1
236	F	45.7	Very low	52.9	Low	39 Å²	39	83.7 Å²	83.7	17%	0.171	48%	0.477	C	S	.	.			trans	44.5	93.3	161	-54.8	-76.6	0	0	0	118	E223 S234 F238	E223-F236 HydrophobicContact CB-CE2 4.33Å; E223-F236 HydrophobicContact CB-CZ 3.85Å; E223-F236 HydrophobicContact CG-CE2 4.49Å; E223-F236 HydrophobicContact CG-CZ 3.9Å; S234-F236 PolarHBondContact O-N 2.72Å; F236-F238 HydrophobicContact CB-CD1 3.99Å; F236-F238 HydrophobicContact CB-CE1 3.64Å; F236-F238 HydrophobicContact CB-CZ 4.36Å; F236-F238 HydrophobicContact CD1-CE1 4.01Å; F236-F238 HydrophobicContact CG-CE1 4.08Å; F236-F238 PolarHBondContact O-N 2.82Å
237	G	42.2	Very low	55.3	Low	63 Å²	63	73.5 Å²	73.5	65%	0.649	44%	0.438	S	S	*	.			trans	-76.3	47.7	175	0	0	0	0	0	116
238	F	50.8	Low	57.6	Low	32 Å²	32	68.6 Å²	68.6	14%	0.14	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-115.8	126.9	167.8	61.4	-96.8	0	0	0	111.1	F121 F236 L240	F121-F238 HydrophobicContact CE2-CZ 4.46Å; F236-F238 HydrophobicContact CB-CD1 3.99Å; F236-F238 HydrophobicContact CB-CE1 3.64Å; F236-F238 HydrophobicContact CB-CZ 4.36Å; F236-F238 HydrophobicContact CD1-CE1 4.01Å; F236-F238 HydrophobicContact CG-CE1 4.08Å; F236-F238 PolarHBondContact O-N 2.82Å; F238-L240 PolarHBondContact O-N 3.48Å
239	T	55.1	Low	59.9	Low	79 Å²	79	65.3 Å²	65.3	49%	0.485	36%	0.363	S	S	.	.			trans	-82.6	107	176.8	56	0	0	0	0	109.4	R241	T239-R241 PolarHBondContact O-N 3.28Å
240	L	64.9	Low	62.3	Low	25 Å²	25	62 Å²	62	13%	0.131	34%	0.336	C	S	.	.			trans	-83.4	110	172.4	-160.3	82.6	0	0	0	109.5	Y145 F147 I219 F238	Y145-L240 HydrophobicContact CD1-CD1 4.01Å; Y145-L240 HydrophobicContact CD1-CG 4.42Å; Y145-L240 HydrophobicContact CE1-CD1 4.47Å; Y145-L240 HydrophobicContact CE1-CD2 4.26Å; F147-L240 HydrophobicContact CD1-CD1 4.07Å; F147-L240 HydrophobicContact CE1-CD1 3.57Å; F147-L240 HydrophobicContact CZ-CD1 4.46Å; I219-L240 HydrophobicContact CD1-CD2 3.22Å; F238-L240 PolarHBondContact O-N 3.48Å
241	R	73.2	Confident	64.3	Low	130 Å²	130	54.7 Å²	54.7	49%	0.491	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-90.3	155.3	174.4	-73.9	-172.5	-179.8	-138.6	-3.4	110.6	T239	T239-R241 PolarHBondContact O-N 3.28Å
242	S	78.7	Confident	66.7	Low	16 Å²	16	54.5 Å²	54.5	11%	0.112	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-52.4	119.1	170.5	-44	0	0	0	0	111	Q123	Q123-S242 PolarHBondContact NE2-OG 3.08Å
243	P	85.5	Confident	68.4	Low	2 Å²	2	44.2 Å²	44.2	1%	0.013	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-71.9	140.6	-178.3	31.4	-37.5	0	0	0	109.6	L125 Y127 L143 L144 Y145	L125-P243 HydrophobicContact CD1-CG 3.84Å; Y127-P243 PolarHBondContact OH-O 3.15Å; L143-P243 HydrophobicContact CB-CB 4.3Å; L143-P243 HydrophobicContact CB-CG 4.25Å; L143-P243 HydrophobicContact CD1-CG 4.45Å; L143-P243 HydrophobicContact CD2-CG 4.31Å; L144-P243 VanDerWaalsContact O-CB 3.25Å; L144-P243 WeakPolarHBondContact O-CB 3.29Å; Y145-P243 HydrophobicContact CD1-CB 4.04Å; Y145-P243 HydrophobicContact CD1-CG 4.22Å; Y145-P243 HydrophobicContact CD2-CB 4.37Å; Y145-P243 HydrophobicContact CE1-CB 3.97Å; Y145-P243 HydrophobicContact CE1-CG 3.63Å; Y145-P243 HydrophobicContact CE2-CB 4.3Å; Y145-P243 HydrophobicContact CE2-CG 4.12Å; Y145-P243 HydrophobicContact CG-CB 4.25Å
244	P	87.4	Confident	69.6	Low	3 Å²	3	42.4 Å²	42.4	2%	0.019	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-71.3	148.8	163.9	31.8	-36	0	0	0	110.3	Y76 L105 I106 L144	Y76-P244 HydrophobicContact CD1-CG 4.09Å; Y76-P244 HydrophobicContact CE1-CG 3.45Å; Y76-P244 VanDerWaalsContact CE1-CG 3.45Å; L105-P244 HydrophobicContact CD1-CG 4.49Å; L105-P244 HydrophobicContact CD2-CB 3.7Å; L105-P244 HydrophobicContact CD2-CG 4.42Å; L105-P244 HydrophobicContact CG-CB 3.96Å; L105-P244 HydrophobicContact CG-CG 4.45Å; I106-P244 CarbonylContact O-C 3.6Å; I106-P244 WeakPolarHBondContact O-CA 3.31Å; L144-P244 HydrophobicContact CB-CG 4.16Å; L144-P244 HydrophobicContact CD2-CG 4.41Å; L144-P244 PolarHBondContact N-O 3.49Å; L144-P244 WeakPolarHBondContact O-CD 3.17Å
245	L	88.6	Confident	70.6	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126	172.3	175.8	66.5	0	0	0	109.3	I106 Y127 L129 L143 V201 L205 L247	I106-L245 HydrophobicContact CB-CB 4.3Å; I106-L245 PolarHBondContact N-O 3.01Å; I106-L245 PolarHBondContact O-N 3.29Å; Y127-L245 HydrophobicContact CD1-CB 3.74Å; Y127-L245 HydrophobicContact CD1-CD2 4.3Å; Y127-L245 HydrophobicContact CD2-CD2 4.32Å; Y127-L245 HydrophobicContact CE1-CB 3.68Å; Y127-L245 HydrophobicContact CE2-CB 4.5Å; Y127-L245 HydrophobicContact CG-CB 4.19Å; Y127-L245 HydrophobicContact CG-CD2 3.99Å; L129-L245 HydrophobicContact CD2-CD2 3.84Å; L143-L245 HydrophobicContact CD2-CB 4.25Å; L143-L245 HydrophobicContact CD2-CD1 3.95Å; V201-L245 HydrophobicContact CG2-CD1 3.77Å; L205-L245 HydrophobicContact CD2-CD2 4.16Å; L245-L247 HydrophobicContact CD1-CD2 4.17Å; L245-L247 HydrophobicContact CD2-CD2 4.05Å; L245-L247 HydrophobicContact CG-CD2 3.86Å; L245-L247 HydrophobicContact CG-CG 4.48Å
246	I	88.7	Confident	71	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126	177.6	-58.1	-169.6	0	0	0	108.8	Y79 I103 R104 S141 S142 L144 Y248	Y79-I246 HydrophobicContact CD1-CD1 4.09Å; Y79-I246 HydrophobicContact CE1-CD1 3.36Å; I103-I246 HydrophobicContact CG2-CG2 3.67Å; R104-I246 WeakPolarHBondContact O-CA 3.43Å; S141-I246 CarbonylContact C-O 3.38Å; S141-I246 VanDerWaalsContact CA-O 3.27Å; S141-I246 WeakPolarHBondContact CA-O 3.36Å; S142-I246 PolarHBondContact N-O 3.2Å; S142-I246 PolarHBondContact O-N 3.1Å; L144-I246 HydrophobicContact CB-CD1 3.71Å; L144-I246 HydrophobicContact CB-CG1 4.12Å; L144-I246 HydrophobicContact CD1-CD1 4.37Å; L144-I246 HydrophobicContact CD2-CD1 3.69Å; L144-I246 HydrophobicContact CG-CD1 4.1Å; I246-Y248 HydrophobicContact CG2-CD2 4.36Å; I246-Y248 HydrophobicContact CG2-CE2 3.88Å
247	L	87.6	Confident	71.1	Confident	3 Å²	3	42 Å²	42	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.8	175.8	-51.5	-177.4	0	0	0	109.5	I103 R104 I106 L129 V132 L138 L205 L245 L249	I103-L247 CarbonylContact C-O 3.54Å; I103-L247 VanDerWaalsContact CA-O 3.27Å; I103-L247 WeakPolarHBondContact CA-O 3.32Å; R104-L247 HydrophobicContact CB-CB 4.23Å; R104-L247 HydrophobicContact CB-CD1 4.43Å; R104-L247 PolarHBondContact N-O 3.21Å; R104-L247 PolarHBondContact O-N 2.99Å; I106-L247 HydrophobicContact CD1-CD1 3.54Å; I106-L247 HydrophobicContact CD1-CG 4.18Å; L129-L247 HydrophobicContact CD2-CD1 4.22Å; V132-L247 HydrophobicContact CG2-CD1 3.52Å; L138-L247 HydrophobicContact CD1-CB 4.02Å; L138-L247 HydrophobicContact CD1-CD2 3.97Å; L138-L247 HydrophobicContact CD1-CG 4.46Å; L205-L247 HydrophobicContact CD2-CD2 3.59Å; L245-L247 HydrophobicContact CD1-CD2 4.17Å; L245-L247 HydrophobicContact CD2-CD2 4.05Å; L245-L247 HydrophobicContact CG-CD2 3.86Å; L245-L247 HydrophobicContact CG-CG 4.48Å; L247-L249 HydrophobicContact CB-CD1 4.37Å; L247-L249 HydrophobicContact CB-CD2 3.92Å; L247-L249 HydrophobicContact CB-CG 4.01Å
248	Y	86.9	Confident	71.4	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.027	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	112.2	169.9	-60.7	-88.6	0	0	0	108	Y79 V83 Y100 I103 L139 K140 E198 I246	Y79-Y248 PolarHBondContact OH-OH 3.25Å; V83-Y248 HydrophobicContact CG1-CE1 4.27Å; Y100-Y248 AromaticContact CD1-CD1 3.74Å; Y100-Y248 HydrophobicContact CD1-CD1 3.74Å; Y100-Y248 HydrophobicContact CD1-CG 4.24Å; Y100-Y248 AromaticContact CD2-CD1 3.89Å; Y100-Y248 HydrophobicContact CD2-CD1 3.89Å; Y100-Y248 AromaticContact CE1-CD1 3.58Å; Y100-Y248 HydrophobicContact CE1-CD1 3.58Å; Y100-Y248 HydrophobicContact CE1-CE1 4.07Å; Y100-Y248 HydrophobicContact CE1-CG 4.37Å; Y100-Y248 AromaticContact CE2-CD1 3.77Å; Y100-Y248 HydrophobicContact CE2-CD1 3.77Å; Y100-Y248 HydrophobicContact CE2-CE1 4.14Å; Y100-Y248 AromaticContact CG-CD1 3.88Å; Y100-Y248 HydrophobicContact CG-CD1 3.88Å; Y100-Y248 HydrophobicContact CG-CG 4.46Å; Y100-Y248 AromaticContact CZ-CD1 3.59Å; Y100-Y248 AromaticContact CZ-CE1 3.78Å; I103-Y248 HydrophobicContact CD1-CD1 3.72Å; I103-Y248 HydrophobicContact CD1-CE1 3.57Å; I103-Y248 HydrophobicContact CG1-CD1 3.93Å; I103-Y248 HydrophobicContact CG1-CE1 4.27Å; L139-Y248 PolarHBondContact N-O 3.18Å; K140-Y248 HydrophobicContact CB-CD2 3.88Å; K140-Y248 HydrophobicContact CB-CG 4.3Å; K140-Y248 HydrophobicContact CD-CD2 3.98Å; K140-Y248 HydrophobicContact CD-CE2 4.16Å; K140-Y248 HydrophobicContact CG-CD2 3.88Å; K140-Y248 HydrophobicContact CG-CE2 4.39Å; K140-Y248 PolarHBondContact N-O 3.03Å; K140-Y248 PolarHBondContact O-N 3.03Å; E198-Y248 PolarHBondContact OE2-OH 3.47Å; I246-Y248 HydrophobicContact CG2-CD2 4.36Å; I246-Y248 HydrophobicContact CG2-CE2 3.88Å
249	L	84.5	Confident	71	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.8	-170.3	-55	178	0	0	0	111.6	Y100 N101 T102 R104 V132 E136 Q137 L138 L247	Y100-L249 WeakPolarHBondContact CA-O 3.35Å; Y100-L249 WeakPolarHBondContact CB-O 3.45Å; N101-L249 PolarHBondContact N-O 3.32Å; N101-L249 PolarHBondContact OD1-O 3.14Å; T102-L249 PolarHBondContact N-O 2.7Å; T102-L249 VanDerWaalsContact N-O 3.09Å; T102-L249 PolarHBondContact O-N 3.04Å; R104-L249 HydrophobicContact CB-CD1 4.32Å; R104-L249 VanDerWaalsContact CD-CD1 3.48Å; R104-L249 HydrophobicContact CG-CD1 3.63Å; V132-L249 HydrophobicContact CG1-CD1 4.16Å; E136-L249 HydrophobicContact CB-CB 4.31Å; E136-L249 HydrophobicContact CB-CD1 4.02Å; E136-L249 HydrophobicContact CG-CD1 4.42Å; Q137-L249 CarbonylContact O-C 3.53Å; Q137-L249 VanDerWaalsContact O-CA 3.29Å; Q137-L249 WeakPolarHBondContact O-CA 3.49Å; L138-L249 HydrophobicContact CB-CD2 3.99Å; L138-L249 HydrophobicContact CD1-CD2 3.58Å; L138-L249 HydrophobicContact CG-CD2 4.42Å; L247-L249 HydrophobicContact CB-CD1 4.37Å; L247-L249 HydrophobicContact CB-CD2 3.92Å; L247-L249 HydrophobicContact CB-CG 4.01Å
250	N	83.9	Confident	69.9	Low	45 Å²	45	44.3 Å²	44.3	24%	0.241	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	101.7	165.6	-169.7	15.3	0	0	0	109.8	N101 E136 Q137 L139 T252	N101-N250 PolarHBondContact ND2-OD1 3.02Å; E136-N250 WeakPolarHBondContact CA-O 3.36Å; Q137-N250 PolarHBondContact N-O 2.86Å; Q137-N250 PolarHBondContact O-N 3.18Å; L139-N250 HydrophobicContact CD1-CB 4.05Å; L139-N250 HydrophobicContact CG-CB 4.3Å; N250-T252 PolarHBondContact O-N 3.45Å
251	D	77.3	Confident	68.4	Low	10 Å²	10	50.4 Å²	50.4	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	113.7	171.8	-175.8	8.5	0	0	0	110	N101 E136 S253 A256	N101-D251 PolarHBondContact ND2-N 3.09Å; N101-D251 PolarHBondContact ND2-O 3.45Å; N101-D251 WeakPolarHBondContact OD1-CB 3.27Å; N101-D251 PolarHBondContact OD1-N 2.73Å; E136-D251 HydrophobicContact CG-CB 3.88Å; D251-S253 VanDerWaalsContact C-N 3.25Å; D251-S253 VanDerWaalsContact CG-OG 3.25Å; D251-S253 PolarHBondContact O-N 2.98Å; D251-S253 WeakPolarHBondContact OD1-CB 3.15Å; D251-S253 PolarHBondContact OD1-N 2.94Å; D251-S253 PolarHBondContact OD1-OG 2.9Å; D251-S253 PolarHBondContact OD2-OG 3.38Å; D251-A256 HydrophobicContact CB-CB 3.86Å; D251-A256 WeakPolarHBondContact O-CB 3.27Å; D251-A256 WeakPolarHBondContact OD2-CB 3.29Å
252	T	76.5	Confident	66.4	Low	58 Å²	58	50.4 Å²	50.4	36%	0.356	27%	0.267	S	S	.	.			trans	-86.3	9.4	177.7	58.6	0	0	0	0	113.6	K135 N250 H257	K135-T252 PolarHBondContact O-N 2.78Å; K135-T252 PolarHBondContact O-OG1 3.47Å; N250-T252 PolarHBondContact O-N 3.45Å; T252-H257 VanDerWaalsContact C-NE2 3.31Å; T252-H257 WeakPolarHBondContact CA-NE2 3.49Å; T252-H257 PolarHBondContact O-CD2 2.71Å; T252-H257 PolarHBondContact O-NE2 2.87Å
253	S	69.1	Low	64.2	Low	15 Å²	15	54.9 Å²	54.9	11%	0.105	30%	0.299	C	S	.	.	S	Bend	trans	-69.2	149.1	179.7	80.4	0	0	0	0	112.6	D251 I255 A256 H257	D251-S253 VanDerWaalsContact C-N 3.25Å; D251-S253 VanDerWaalsContact CG-OG 3.25Å; D251-S253 PolarHBondContact O-N 2.98Å; D251-S253 WeakPolarHBondContact OD1-CB 3.15Å; D251-S253 PolarHBondContact OD1-N 2.94Å; D251-S253 PolarHBondContact OD1-OG 2.9Å; D251-S253 PolarHBondContact OD2-OG 3.38Å; S253-I255 PolarHBondContact O-N 3.44Å; S253-I255 VanDerWaalsContact O-N 3.09Å; S253-A256 PolarHBondContact O-N 3.29Å; S253-A256 PolarHBondContact OG-N 2.82Å; S253-H257 PolarHBondContact O-CD2 3.18Å; S253-H257 VanDerWaalsContact O-CD2 3.28Å; S253-H257 PolarHBondContact O-N 2.8Å
254	K	56.4	Low	61.6	Low	195 Å²	195	60.2 Å²	60.2	85%	0.848	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25	174.3	-69.3	-172.1	177.8	-176.9	0	112.9
255	I	56.3	Low	58.8	Low	97 Å²	97	66.2 Å²	66.2	50%	0.497	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-34.6	179.2	-59.7	168.3	0	0	0	110.7	S253	S253-I255 PolarHBondContact O-N 3.44Å; S253-I255 VanDerWaalsContact O-N 3.09Å
256	A	50.9	Low	56.1	Low	20 Å²	20	70 Å²	70	17%	0.165	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-31.4	173.5	0	0	0	0	0	112.7	D251 S253 Q258	D251-A256 HydrophobicContact CB-CB 3.86Å; D251-A256 WeakPolarHBondContact O-CB 3.27Å; D251-A256 WeakPolarHBondContact OD2-CB 3.29Å; S253-A256 PolarHBondContact O-N 3.29Å; S253-A256 PolarHBondContact OG-N 2.82Å; A256-Q258 VanDerWaalsContact C-N 3.27Å; A256-Q258 PolarHBondContact O-N 2.73Å
257	H	48	Very low	53.4	Low	80 Å²	80	77.3 Å²	77.3	37%	0.37	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-79.4	15.4	-178.1	-72.7	-51.1	0	0	0	116.6	T252 S253 R259 S260	T252-H257 VanDerWaalsContact C-NE2 3.31Å; T252-H257 WeakPolarHBondContact CA-NE2 3.49Å; T252-H257 PolarHBondContact O-CD2 2.71Å; T252-H257 PolarHBondContact O-NE2 2.87Å; S253-H257 PolarHBondContact O-CD2 3.18Å; S253-H257 VanDerWaalsContact O-CD2 3.28Å; S253-H257 PolarHBondContact O-N 2.8Å; H257-R259 PolarHBondContact O-N 3.37Å; H257-S260 PolarHBondContact O-N 3.47Å
258	Q	49.4	Very low	50.7	Low	57 Å²	57	85.2 Å²	85.2	27%	0.266	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-57.2	-12.3	160.7	-82.9	-176.4	-25.5	0	0	112.5	A256 S260 K417	A256-Q258 VanDerWaalsContact C-N 3.27Å; A256-Q258 PolarHBondContact O-N 2.73Å; Q258-S260 VanDerWaalsContact C-N 3.32Å; Q258-S260 PolarHBondContact O-N 3.42Å; Q258-K417 WeakPolarHBondContact O-CE 3.33Å; Q258-K417 PolarHBondContact O-NZ 3.25Å
259	R	42.5	Very low	47.7	Very low	70 Å²	70	97.4 Å²	97.4	26%	0.264	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-60	-20.4	170.8	-69	-176.6	-177.8	-168.1	0.7	116.6	N101 H257 Y413 E415	N101-R259 VanDerWaalsContact CB-NH2 3.34Å; H257-R259 PolarHBondContact O-N 3.37Å; R259-Y413 PolarHBondContact NH2-O 3.43Å; R259-E415 HydrophobicContact CG-CB 4.44Å
260	S	32	Very low	45	Very low	95 Å²	95	101.9 Å²	101.9	66%	0.664	57%	0.568	S	S	*	*	S	Bend	trans	-118.5	-10.1	-162	-161.8	0	0	0	0	118.7	H257 Q258 V262	H257-S260 PolarHBondContact O-N 3.47Å; Q258-S260 VanDerWaalsContact C-N 3.32Å; Q258-S260 PolarHBondContact O-N 3.42Å; S260-V262 PolarHBondContact O-N 2.89Å
261	L	32.7	Very low	42.7	Very low	153 Å²	153	104.7 Å²	104.7	80%	0.801	59%	0.591	S	S	*	*			trans	-91.5	73.4	174	-94.8	139.4	0	0	0	110.1	K417	L261-K417 PolarHBondContact O-NZ 2.91Å
262	V	32.5	Very low	40.7	Very low	130 Å²	130	109.5 Å²	109.5	79%	0.788	62%	0.621	S	S	*	*			trans	-143.2	87.9	161.4	-177.3	0	0	0	0	108.3	S260	S260-V262 PolarHBondContact O-N 2.89Å
263	S	32.1	Very low	38.9	Very low	110 Å²	110	110.5 Å²	110.5	77%	0.769	64%	0.635	S	S	*	*	S	Bend	trans	-173.5	132	151.8	171.7	0	0	0	0	105.2
264	S	30.4	Very low	37.3	Very low	115 Å²	115	113.7 Å²	113.7	80%	0.804	65%	0.651	S	S	*	*	S	Bend	trans	80	60.9	178.4	74	0	0	0	0	118.5
265	S	29.1	Very low	36.5	Very low	128 Å²	128	110 Å²	110	90%	0.895	64%	0.64	S	S	*	*			trans	-157.5	50.6	140.8	72.2	0	0	0	0	110.9
266	A	32.2	Very low	35.5	Very low	81 Å²	81	110.4 Å²	110.4	67%	0.669	65%	0.647	S	S	*	*	S	Bend	trans	-126.3	135.1	155.2	0	0	0	0	0	105.3
267	D	31.5	Very low	34.9	Very low	155 Å²	155	116.7 Å²	116.7	83%	0.829	67%	0.671	S	S	*	*			trans	90	90.3	173.5	-47.7	-28	0	0	0	116.4
268	L	29.6	Very low	34.6	Very low	169 Å²	169	116.4 Å²	116.4	89%	0.885	67%	0.67	S	S	*	*				-162.1	95.9	123.8	-147.7	70.6	0	0	0	111.1
269	W	25	Very low	34.1	Very low	262 Å²	262	122.1 Å²	122.1	99%	0.992	69%	0.694	S	S	*	*			trans	-136.4	130.9	151.1	-96.8	-4	0	0	0	109.7
270	S	26.6	Very low	33.8	Very low	94 Å²	94	126.6 Å²	126.6	66%	0.657	72%	0.718	S	S	*	*			trans	-70.1	130.6	-164.6	61.3	0	0	0	0	112.6	T272	S270-T272 PolarHBondContact O-N 2.98Å
271	S	37.5	Very low	34	Very low	105 Å²	105	126.1 Å²	126.1	73%	0.734	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-3.4	-178.3	53.2	0	0	0	0	115.3
272	T	34.2	Very low	34	Very low	110 Å²	110	125.7 Å²	125.7	68%	0.675	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-24	-164	-8.1	0	0	0	0	114.9	S270	S270-T272 PolarHBondContact O-N 2.98Å
273	A	38	Very low	33.9	Very low	80 Å²	80	128.5 Å²	128.5	66%	0.661	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-14.2	-178.7	0	0	0	0	0	114
274	L	36.6	Very low	33.9	Very low	82 Å²	82	128.7 Å²	128.7	43%	0.429	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.3	-23.6	-174.4	-167.4	63.2	0	0	0	112.9	T276 F365	L274-T276 VanDerWaalsContact C-N 3.33Å; L274-T276 PolarHBondContact O-N 3.09Å; L274-F365 HydrophobicContact CD2-CD1 4.09Å; L274-F365 HydrophobicContact CD2-CE1 3.84Å; L274-F365 HydrophobicContact CG-CE1 4.43Å
275	D	39	Very low	34	Very low	118 Å²	118	126.9 Å²	126.9	63%	0.631	70%	0.7	S	S	*	*	H	α-helix	trans	-73.3	-26.7	-175.5	-148.9	33.6	0	0	0	112.2
276	T	36.5	Very low	34.1	Very low	104 Å²	104	129.6 Å²	129.6	64%	0.638	70%	0.699	S	S	*	*	H	α-helix	trans	-75.6	-33.1	-178.1	-28.7	0	0	0	0	112.7	L274 Q278	L274-T276 VanDerWaalsContact C-N 3.33Å; L274-T276 PolarHBondContact O-N 3.09Å; T276-Q278 VanDerWaalsContact C-N 3.33Å
277	F	37.4	Very low	34.1	Very low	153 Å²	153	136.7 Å²	136.7	67%	0.671	71%	0.708	S	S	*	*	H	α-helix	trans	-76.5	-23.4	178.4	-128.1	-92.7	0	0	0	112.4
278	Q	41.1	Very low	34	Very low	73 Å²	73	138.8 Å²	138.8	34%	0.341	71%	0.713	S	S	.	*	H	α-helix	trans	-76.5	-25.3	-175.5	-164.2	162.9	-19.1	0	0	113.3	T276 F282 F365	T276-Q278 VanDerWaalsContact C-N 3.33Å; Q278-F282 HydrophobicContact CG-CD2 4.41Å; Q278-F365 VanDerWaalsContact OE1-CZ 3.26Å
279	K	38.9	Very low	34	Very low	177 Å²	177	134.3 Å²	134.3	77%	0.77	71%	0.708	S	S	*	*	H	α-helix	trans	-72.3	-28.2	174.6	-99.4	-178.8	176.2	177.2	0	113.9
280	Q	37	Very low	34.2	Very low	165 Å²	165	130.5 Å²	130.5	77%	0.771	70%	0.701	S	S	*	*	H	α-helix	trans	-86.2	-15.8	-174.4	-72.2	-172.5	-36.8	0	0	114.3
281	V	35.6	Very low	34.6	Very low	85 Å²	85	136.1 Å²	136.1	52%	0.515	71%	0.714	S	S	.	*	H	α-helix	trans	-104.5	-21.8	-175.5	-177	0	0	0	0	113
282	F	33.2	Very low	34.2	Very low	143 Å²	143	140.4 Å²	140.4	63%	0.627	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-92.1	-1.8	-170.8	-102.8	-84.8	0	0	0	116.7	Q278 S284	Q278-F282 HydrophobicContact CG-CD2 4.41Å; F282-S284 VanDerWaalsContact C-N 3.31Å; F282-S284 PolarHBondContact O-N 3.43Å
283	E	29.8	Very low	34	Very low	189 Å²	189	146.7 Å²	146.7	88%	0.883	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-78.2	-7	176.1	-81.9	-171.1	158.7	0	0	114.6
284	S	32.8	Very low	33.5	Very low	114 Å²	114	153.3 Å²	153.3	80%	0.797	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-100.7	-0.9	-177.3	71	0	0	0	0	116.1	F282	F282-S284 VanDerWaalsContact C-N 3.31Å; F282-S284 PolarHBondContact O-N 3.43Å
285	A	32	Very low	33	Very low	77 Å²	77	160.5 Å²	160.5	64%	0.636	76%	0.755	S	S	*	*			trans	-124.8	23.7	-169.8	0	0	0	0	0	116
286	Q	32	Very low	32.7	Very low	185 Å²	185	167 Å²	167	86%	0.864	77%	0.77	S	S	*	*			trans	-113.1	76.4	170.8	-84.4	-164.2	-39.7	0	0	112.3
287	R	32.8	Very low	32.3	Very low	230 Å²	230	166.7 Å²	166.7	87%	0.868	78%	0.778	S	S	*	*	S	Bend	trans	-141.1	124	146.6	-72.9	-163.4	177.1	-179.2	-0	109.4
288	H	29	Very low	31.9	Very low	199 Å²	199	164.7 Å²	164.7	92%	0.921	78%	0.783	S	S	*	*	S	Bend	trans	86	120.5	175.5	-61.8	-68.1	0	0	0	119
289	G	28.8	Very low	31.4	Very low	76 Å²	76	169.4 Å²	169.4	78%	0.784	81%	0.81	S	S	*	*			trans	141	97.7	157.4	0	0	0	0	0	114.7
290	E	30.7	Very low	31	Very low	182 Å²	182	170.3 Å²	170.3	85%	0.85	81%	0.814	S	S	*	*			trans	-56.7	140.8	-179.2	-67.9	175.2	130	0	0	114.9	R292	E290-R292 PolarHBondContact O-N 2.78Å
291	K	33	Very low	30.6	Very low	211 Å²	211	167.3 Å²	167.3	92%	0.917	81%	0.811	S	S	*	*			trans	-72.9	117.7	172.7	-69	174.7	177.4	173.9	0	110.6
292	R	30.6	Very low	30.3	Very low	196 Å²	196	172.4 Å²	172.4	74%	0.74	83%	0.826	S	S	*	*			trans	-111.6	111.7	159.7	-72.1	-167.8	-179	-171.1	1.8	111.4	E290	E290-R292 PolarHBondContact O-N 2.78Å
293	R	29.1	Very low	30.2	Very low	241 Å²	241	177.3 Å²	177.3	91%	0.909	84%	0.841	S	S	*	*			trans	-83.2	105.3	178.1	-174.7	-177.5	-161.3	170.6	5.4	109	R295	R293-R295 PolarHBondContact O-N 2.9Å
294	W	27.9	Very low	30.1	Very low	219 Å²	219	172 Å²	172	83%	0.83	84%	0.836	S	S	*	*			trans	-87.9	109.2	177.2	-70.9	100.2	0	0	0	111.9
295	R	26.7	Very low	29.9	Very low	234 Å²	234	174 Å²	174	88%	0.883	84%	0.838	S	S	*	*			trans	-80	124.3	167.1	-124	-179.8	-147.2	179	5.5	107.8	R293	R293-R295 PolarHBondContact O-N 2.9Å
296	R	31.8	Very low	29.9	Very low	254 Å²	254	179.8 Å²	179.8	96%	0.958	85%	0.849	S	S	*	*			trans	-83.1	119.9	172.6	-87.7	-178	-83.1	168	-5.5	110
297	A	27.3	Very low	29.7	Very low	97 Å²	97	174.4 Å²	174.4	80%	0.802	84%	0.843	S	S	*	*			trans	-109.3	133.2	161.1	0	0	0	0	0	108.6
298	S	30.3	Very low	29.6	Very low	111 Å²	111	171.7 Å²	171.7	78%	0.776	85%	0.845	S	S	*	*			trans	-92.3	129.2	-179.6	148.9	0	0	0	0	109.9
299	L	30.3	Very low	29.7	Very low	172 Å²	172	168.9 Å²	168.9	90%	0.901	84%	0.837	S	S	*	*			trans	-129.9	130.6	159	-98.8	106.4	0	0	0	111.5
300	K	30.3	Very low	29.9	Very low	196 Å²	196	171.9 Å²	171.9	85%	0.852	83%	0.832	S	S	*	*			trans	-79.3	149	171.4	-72.9	171.3	172	172.2	0	110.5
301	S	28.2	Very low	30.6	Very low	103 Å²	103	171 Å²	171	72%	0.72	83%	0.828	S	S	*	*				160.1	133.3	119.7	-178.9	0	0	0	0	114.7
302	K	29.5	Very low	30.6	Very low	192 Å²	192	168.6 Å²	168.6	84%	0.835	82%	0.824	S	S	*	*			trans	34.8	140.9	145.3	-66.1	175.4	174.1	174.8	0	119.7
303	R	30.7	Very low	30.9	Very low	245 Å²	245	163.4 Å²	163.4	93%	0.925	82%	0.816	S	S	*	*				-172.8	158.5	50.2	-141.8	173.7	-161.2	179.1	3.4	107.9
304	G	27.4	Very low	31.2	Very low	77 Å²	77	158.7 Å²	158.7	79%	0.794	80%	0.804	S	S	*	*			trans	-106.1	-177.6	-173.6	0	0	0	0	0	116.7
305	D	29.4	Very low	32	Very low	157 Å²	157	153.4 Å²	153.4	84%	0.84	79%	0.792	S	S	*	*			trans	-164.2	166.9	145.9	-153.9	5.1	0	0	0	112.1
306	K	31.9	Very low	32.5	Very low	198 Å²	198	147.9 Å²	147.9	86%	0.861	77%	0.774	S	S	*	*			trans	-94.9	160.7	-161.7	-59.2	165.3	176.9	172.9	0	114.8
307	G	28.1	Very low	32.9	Very low	72 Å²	72	139.4 Å²	139.4	74%	0.742	75%	0.754	S	S	*	*			trans	141.5	98.9	146.4	0	0	0	0	0	119.5
308	L	31.5	Very low	33.9	Very low	173 Å²	173	138.4 Å²	138.4	91%	0.906	74%	0.741	S	S	*	*			trans	57.8	110.2	141.4	-53.1	-179.5	0	0	0	124.6
309	D	29.4	Very low	34.7	Very low	141 Å²	141	135.1 Å²	135.1	75%	0.754	72%	0.718	S	S	*	*				84.2	138.3	122.9	-127	-1.4	0	0	0	125.5
310	M	34.1	Very low	35.5	Very low	138 Å²	138	135.8 Å²	135.8	68%	0.68	72%	0.717	S	S	*	*			trans	67.7	102.3	164.9	-73.2	-66.4	118.7	0	0	123.1
311	Q	45.5	Very low	36.2	Very low	165 Å²	165	134 Å²	134	77%	0.771	71%	0.709	S	S	*	*				83.9	79.6	123.8	-145.7	151.1	-9.3	0	0	120.3
312	L	32.7	Very low	37.3	Very low	159 Å²	159	134.5 Å²	134.5	83%	0.832	71%	0.71	S	S	*	*			trans	-164.5	146	143.2	-117.1	121.9	0	0	0	109.3	E314	L312-E314 PolarHBondContact O-N 2.99Å
313	P	37.1	Very low	38.9	Very low	87 Å²	87	128.7 Å²	128.7	57%	0.565	69%	0.691	S	S	*	*			trans	-62.4	111.2	174.2	-17.8	30.3	0	0	0	110	L315	P313-L315 PolarHBondContact O-N 2.92Å
314	E	35.4	Very low	41.1	Very low	142 Å²	142	121.9 Å²	121.9	66%	0.664	68%	0.676	S	S	*	*			trans	-59.3	97	175.6	-72.9	-177.2	133.1	0	0	110.5	L312 K316	L312-E314 PolarHBondContact O-N 2.99Å; E314-K316 HydrophobicContact CB-CG 4.35Å; E314-K316 PolarHBondContact O-N 2.97Å; E314-K316 WeakPolarHBondContact OE1-CE 3.32Å; E314-K316 IonicContact OE1-NZ 2.93Å; E314-K316 PolarHBondContact OE1-NZ 2.78Å; E314-K316 WeakPolarHBondContact OE2-CE 3.43Å; E314-K316 IonicContact OE2-NZ 3.9Å; E314-K316 PolarHBondContact OE2-NZ 3.01Å
315	L	45.3	Very low	43.8	Very low	109 Å²	109	121.8 Å²	121.8	57%	0.571	66%	0.658	S	S	*	*			trans	-66.7	82.6	155.6	-90.2	112.7	0	0	0	107.9	P313 S317 Y354	P313-L315 PolarHBondContact O-N 2.92Å; L315-S317 PolarHBondContact O-N 3.26Å; L315-Y354 HydrophobicContact CD2-CE1 4.21Å; L315-Y354 WeakPolarHBondContact CD2-OH 3.47Å
316	K	36.1	Very low	46.7	Very low	118 Å²	118	114.7 Å²	114.7	51%	0.513	62%	0.62	S	S	.	*			trans	-74.8	105.4	167.7	-82.7	173.1	171.6	148.2	0	107.9	E314 S318	E314-K316 HydrophobicContact CB-CG 4.35Å; E314-K316 PolarHBondContact O-N 2.97Å; E314-K316 WeakPolarHBondContact OE1-CE 3.32Å; E314-K316 IonicContact OE1-NZ 2.93Å; E314-K316 PolarHBondContact OE1-NZ 2.78Å; E314-K316 WeakPolarHBondContact OE2-CE 3.43Å; E314-K316 IonicContact OE2-NZ 3.9Å; E314-K316 PolarHBondContact OE2-NZ 3.01Å; K316-S318 PolarHBondContact O-N 2.84Å
317	S	41.5	Very low	49.4	Very low	76 Å²	76	106.4 Å²	106.4	53%	0.531	59%	0.589	S	S	.	*			trans	-60.8	129.3	171.7	60.4	0	0	0	0	109.3	L315 S319	L315-S317 PolarHBondContact O-N 3.26Å; S317-S319 PolarHBondContact O-N 2.86Å; S317-S319 PolarHBondContact OG-O 3.23Å
318	S	48.1	Very low	52.3	Low	76 Å²	76	105.1 Å²	105.1	53%	0.531	56%	0.564	S	S	.	*	S	Bend	trans	-83.5	10.1	172	52.1	0	0	0	0	112.8	K316	K316-S318 PolarHBondContact O-N 2.84Å
319	S	45.6	Very low	55.2	Low	42 Å²	42	98 Å²	98	29%	0.294	53%	0.526	S	S	.	.	S	Bend	trans	-125.4	130.5	168.8	65.9	0	0	0	0	109.4	S317 F321	S317-S319 PolarHBondContact O-N 2.86Å; S317-S319 PolarHBondContact OG-O 3.23Å; S319-F321 WeakPolarHBondContact CB-O 3.11Å; S319-F321 PolarHBondContact O-N 3.47Å; S319-F321 VanDerWaalsContact O-N 3.1Å; S319-F321 PolarHBondContact OG-O 3.01Å
320	E	48	Very low	58.3	Low	186 Å²	186	92.7 Å²	92.7	87%	0.869	50%	0.497	S	S	*	.	S	Bend	trans	-66.1	-1.3	173.1	-80.1	172.4	153	0	0	112.8
321	F	44.8	Very low	61.1	Low	158 Å²	158	90.1 Å²	90.1	69%	0.693	48%	0.482	S	S	*	.	S	Bend	trans	-141.5	126.1	170.9	-57.2	-79.4	0	0	0	109.5	S319 T323	S319-F321 WeakPolarHBondContact CB-O 3.11Å; S319-F321 PolarHBondContact O-N 3.47Å; S319-F321 VanDerWaalsContact O-N 3.1Å; S319-F321 PolarHBondContact OG-O 3.01Å; F321-T323 PolarHBondContact O-N 3.34Å; F321-T323 VanDerWaalsContact O-N 3.11Å
322	P	51.7	Low	63.4	Low	114 Å²	114	89.2 Å²	89.2	74%	0.74	47%	0.472	S	S	*	.			trans	-65.8	109.5	168.4	-6.3	19.8	0	0	0	108.1
323	T	61.8	Low	66.2	Low	70 Å²	70	82 Å²	82	43%	0.429	44%	0.435	S	S	.	.			trans	-71	138.7	167.2	51.9	0	0	0	0	108.4	F321 D325 Y329	F321-T323 PolarHBondContact O-N 3.34Å; F321-T323 VanDerWaalsContact O-N 3.11Å; T323-D325 PolarHBondContact O-N 3.43Å; T323-D325 PolarHBondContact OG1-O 3.36Å; T323-Y329 PolarHBondContact O-OH 3.03Å
324	T	77.6	Confident	68.7	Low	101 Å²	101	84.1 Å²	84.1	62%	0.62	43%	0.431	S	S	*	.	S	Bend	trans	-63.8	-26.2	169.2	46.5	0	0	0	0	111.6	G357 I358	T324-G357 CarbonylContact O-C 3.58Å; T324-G357 WeakPolarHBondContact O-CA 3.36Å; T324-I358 WeakPolarHBondContact O-CB 3.43Å; T324-I358 WeakPolarHBondContact O-CG1 3.31Å; T324-I358 PolarHBondContact O-N 2.86Å
325	D	85.3	Confident	71.3	Confident	76 Å²	76	77.4 Å²	77.4	41%	0.406	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-83	159.1	-171.6	-58.6	-7.6	0	0	0	112.2	T323 A327 I358	T323-D325 PolarHBondContact O-N 3.43Å; T323-D325 PolarHBondContact OG1-O 3.36Å; D325-A327 PolarHBondContact O-N 3.09Å; D325-A327 VanDerWaalsContact O-N 3.11Å; D325-I358 CarbonylContact C-O 3.45Å; D325-I358 WeakPolarHBondContact CA-O 3.17Å
326	C	88.4	Confident	73.3	Confident	8 Å²	8	74.9 Å²	74.9	5%	0.054	39%	0.392	C	S	.	.	S	Bend	trans	-52	115	179.1	-179.5	0	0	0	0	112	R356 I358 C392	C326-R356 WeakPolarHBondContact CA-O 3.29Å; C326-I358 PolarHBondContact N-O 3.4Å; C326-C392 WeakPolarHBondContact CA-SG 3.25Å; C326-C392 HydrophobicContact CB-CB 3.71Å; C326-C392 WeakPolarHBondContact CB-SG 3.05Å; C326-C392 VanDerWaalsContact SG-CA 3.58Å; C326-C392 WeakPolarHBondContact SG-CB 3.31Å; C326-C392 CovalentContact SG-SG 2.04Å; C326-C392 PolarHBondContact SG-SG 3.11Å
327	A	88.6	Confident	75.6	Confident	24 Å²	24	74.7 Å²	74.7	20%	0.198	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.3	-176.3	0	0	0	0	0	111.8	D325 Y329 C355 R356 C424	D325-A327 PolarHBondContact O-N 3.09Å; D325-A327 VanDerWaalsContact O-N 3.11Å; A327-Y329 HydrophobicContact CB-CE2 3.83Å; A327-Y329 VanDerWaalsContact O-CD2 3.25Å; A327-Y329 WeakPolarHBondContact O-CD2 3.48Å; A327-Y329 VanDerWaalsContact O-CE2 3.28Å; A327-Y329 WeakPolarHBondContact O-CE2 3.4Å; A327-C355 WeakPolarHBondContact O-CA 3.3Å; A327-R356 PolarHBondContact N-O 3.14Å; A327-R356 PolarHBondContact O-N 3.47Å; A327-C424 VanDerWaalsContact C-SG 3.52Å; A327-C424 PolarHBondContact O-SG 2.69Å; A327-C424 VanDerWaalsContact O-SG 3.37Å
328	L	90.9	Very high	77.7	Confident	44 Å²	44	74.6 Å²	74.6	23%	0.23	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131	177.4	-172.8	71.5	0	0	0	110.1	R353 A421 T422 C424	L328-R353 HydrophobicContact CD1-CB 3.91Å; L328-R353 HydrophobicContact CG-CB 4.28Å; L328-A421 HydrophobicContact CD1-CB 3.74Å; L328-T422 WeakPolarHBondContact CD2-O 3.48Å; L328-C424 WeakPolarHBondContact CA-SG 3.47Å; L328-C424 VanDerWaalsContact CB-SG 3.58Å; L328-C424 VanDerWaalsContact CD1-SG 3.57Å
329	Y	92.4	Very high	79.4	Confident	25 Å²	25	78.9 Å²	78.9	10%	0.098	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.5	-178.5	-64	-94.4	0	0	0	110.9	T323 A327 R353 Y354 R356	T323-Y329 PolarHBondContact O-OH 3.03Å; A327-Y329 HydrophobicContact CB-CE2 3.83Å; A327-Y329 VanDerWaalsContact O-CD2 3.25Å; A327-Y329 WeakPolarHBondContact O-CD2 3.48Å; A327-Y329 VanDerWaalsContact O-CE2 3.28Å; A327-Y329 WeakPolarHBondContact O-CE2 3.4Å; Y329-R353 CarbonylContact O-C 3.59Å; Y329-R353 WeakPolarHBondContact O-CA 3.3Å; Y329-R353 VanDerWaalsContact O-CB 3.28Å; Y329-R353 WeakPolarHBondContact O-CB 3.41Å; Y329-Y354 VanDerWaalsContact CB-CE1 3.43Å; Y329-Y354 HydrophobicContact CG-CE1 4.45Å; Y329-Y354 PolarHBondContact N-O 2.76Å; Y329-Y354 PolarHBondContact O-N 2.93Å; Y329-R356 HydrophobicContact CD2-CB 3.82Å; Y329-R356 HydrophobicContact CE2-CB 3.73Å; Y329-R356 HydrophobicContact CE2-CG 4.44Å; Y329-R356 WeakPolarHBondContact CE2-O 3.45Å
330	D	94.2	Very high	81.3	Confident	28 Å²	28	77.7 Å²	77.7	15%	0.15	39%	0.385	C	S	.	.			trans	-74.3	136.9	171.4	-80.8	-14.6	0	0	0	110.8	N351 R353	D330-N351 PolarHBondContact OD1-ND2 3.13Å; D330-R353 WeakPolarHBondContact OD1-CG 3.43Å; D330-R353 IonicContact OD1-CZ 3.7Å; D330-R353 IonicContact OD1-NE 3.9Å; D330-R353 PolarHBondContact OD1-NE 3.09Å; D330-R353 IonicContact OD1-NH2 2.98Å
331	F	91.6	Very high	82.9	Confident	84 Å²	84	73 Å²	73	37%	0.368	37%	0.365	S	S	.	.			trans	-143.2	119.2	173.1	172.8	-112.8	0	0	0	108.5	V333 N351 P352 Y354	F331-V333 HydrophobicContact CD1-CB 4.48Å; F331-V333 HydrophobicContact CE1-CB 3.84Å; F331-V333 HydrophobicContact CE1-CG1 4.48Å; F331-V333 HydrophobicContact CE1-CG2 4.38Å; F331-V333 HydrophobicContact CZ-CB 4.31Å; F331-N351 PolarHBondContact N-OD1 2.88Å; F331-N351 VanDerWaalsContact O-CA 3.3Å; F331-N351 WeakPolarHBondContact O-CA 3.43Å; F331-N351 PolarHBondContact O-OD1 3.2Å; F331-P352 HydrophobicContact CD1-CG 3.74Å; F331-P352 HydrophobicContact CE1-CG 4.44Å; F331-P352 WeakPolarHBondContact O-CD 3.1Å; F331-Y354 HydrophobicContact CB-CD1 3.5Å; F331-Y354 HydrophobicContact CB-CE1 3.79Å; F331-Y354 HydrophobicContact CG-CD1 4.42Å
332	R	93.7	Very high	84.6	Confident	147 Å²	147	69.1 Å²	69.1	56%	0.555	35%	0.349	S	S	*	.			trans	-103.2	124.1	-177.2	-63.8	-178.9	-175	-159.5	-0.7	110.1	Y350 N351	R332-Y350 WeakPolarHBondContact CA-O 3.44Å; R332-N351 HydrophobicContact CG-CB 4.27Å
333	V	91.3	Very high	86.1	Confident	8 Å²	8	64.1 Å²	64.1	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.4	-179.6	67.9	0	0	0	0	110.6	F331 Q337 L338 K349 Y350 P352	F331-V333 HydrophobicContact CD1-CB 4.48Å; F331-V333 HydrophobicContact CE1-CB 3.84Å; F331-V333 HydrophobicContact CE1-CG1 4.48Å; F331-V333 HydrophobicContact CE1-CG2 4.38Å; F331-V333 HydrophobicContact CZ-CB 4.31Å; V333-Q337 HydrophobicContact CG2-CB 4.42Å; V333-L338 HydrophobicContact CG1-CD1 4.23Å; V333-L338 HydrophobicContact CG2-CD1 4.08Å; V333-L338 HydrophobicContact CG2-CD2 4.03Å; V333-L338 HydrophobicContact CG2-CG 3.86Å; V333-K349 CarbonylContact O-C 3.49Å; V333-K349 WeakPolarHBondContact O-CA 3.39Å; V333-K349 VanDerWaalsContact O-CB 3.29Å; V333-K349 WeakPolarHBondContact O-CB 3.25Å; V333-Y350 HydrophobicContact CG1-CD1 3.69Å; V333-Y350 HydrophobicContact CG1-CE1 3.27Å; V333-Y350 PolarHBondContact N-O 2.95Å; V333-Y350 PolarHBondContact O-N 2.72Å; V333-P352 HydrophobicContact CG1-CG 3.99Å
334	R	91.1	Very high	87.3	Confident	130 Å²	130	61 Å²	61	49%	0.491	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.7	171.1	-66.4	172.8	-179.6	-101.7	7.6	109.5	S336 Q337 L338 P348 K349	R334-S336 PolarHBondContact O-N 3.02Å; R334-Q337 HydrophobicContact CB-CG 4.12Å; R334-Q337 WeakPolarHBondContact O-CB 3.38Å; R334-Q337 PolarHBondContact O-N 3.09Å; R334-L338 PolarHBondContact O-N 3.2Å; R334-P348 WeakPolarHBondContact CA-O 3.27Å; R334-K349 HydrophobicContact CG-CB 3.93Å
335	F	88.4	Confident	87.7	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.3	175.4	-72.6	-70.5	0	0	0	112.9	Q337 L338 K339 L340 D341 I344 P347 P348 Y350 L400 V402	F335-Q337 VanDerWaalsContact C-N 3.33Å; F335-Q337 PolarHBondContact O-N 3.04Å; F335-L338 HydrophobicContact CD1-CD1 4.42Å; F335-L338 CarbonylContact O-C 3.58Å; F335-L338 PolarHBondContact O-N 3.28Å; F335-L338 VanDerWaalsContact O-N 3.16Å; F335-K339 PolarHBondContact O-N 2.99Å; F335-K339 VanDerWaalsContact O-N 3.08Å; F335-L340 HydrophobicContact CB-CB 4.31Å; F335-L340 HydrophobicContact CD1-CB 4.12Å; F335-L340 HydrophobicContact CD1-CD1 4.3Å; F335-L340 PolarHBondContact O-N 3.16Å; F335-D341 HydrophobicContact CB-CB 4.42Å; F335-D341 PolarHBondContact O-N 3.06Å; F335-I344 HydrophobicContact CD1-CB 4.42Å; F335-I344 HydrophobicContact CD1-CD1 3.55Å; F335-I344 HydrophobicContact CD1-CG2 4.32Å; F335-I344 HydrophobicContact CD2-CB 4.43Å; F335-I344 HydrophobicContact CD2-CG2 3.71Å; F335-I344 HydrophobicContact CE1-CD1 3.45Å; F335-I344 VanDerWaalsContact CE1-CD1 3.45Å; F335-I344 HydrophobicContact CE1-CG2 4.36Å; F335-I344 HydrophobicContact CE2-CG2 3.74Å; F335-I344 HydrophobicContact CG-CB 4.23Å; F335-I344 HydrophobicContact CG-CD1 4.22Å; F335-I344 HydrophobicContact CG-CG2 3.99Å; F335-I344 HydrophobicContact CZ-CD1 4.04Å; F335-I344 HydrophobicContact CZ-CG2 4.06Å; F335-P347 WeakPolarHBondContact CD2-O 3.47Å; F335-P347 HydrophobicContact CE2-CG 4.37Å; F335-P347 WeakPolarHBondContact CE2-O 3.18Å; F335-P348 PolarHBondContact N-O 3.28Å; F335-P348 VanDerWaalsContact N-O 3.09Å; F335-Y350 HydrophobicContact CD1-CE1 4.29Å; F335-Y350 HydrophobicContact CD2-CD1 4.48Å; F335-Y350 AromaticContact CE1-CD1 3.82Å; F335-Y350 HydrophobicContact CE1-CD1 3.82Å; F335-Y350 AromaticContact CE1-CE1 3.6Å; F335-Y350 HydrophobicContact CE1-CE1 3.6Å; F335-Y350 AromaticContact CE2-CD1 3.79Å; F335-Y350 HydrophobicContact CE2-CD1 3.79Å; F335-Y350 HydrophobicContact CE2-CE1 4.43Å; F335-Y350 HydrophobicContact CE2-CG 4.48Å; F335-Y350 AromaticContact CZ-CD1 3.42Å; F335-Y350 HydrophobicContact CZ-CD1 3.42Å; F335-Y350 VanDerWaalsContact CZ-CD1 3.42Å; F335-Y350 AromaticContact CZ-CE1 3.71Å; F335-Y350 HydrophobicContact CZ-CE1 3.71Å; F335-Y350 HydrophobicContact CZ-CG 4.13Å; F335-L400 HydrophobicContact CZ-CD2 3.78Å; F335-V402 HydrophobicContact CZ-CG1 4.4Å
336	S	87.3	Confident	87.8	Confident	57 Å²	57	55.3 Å²	55.3	40%	0.399	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-33.6	173.3	61.1	0	0	0	0	113.3	R334 L338 K339 D341	R334-S336 PolarHBondContact O-N 3.02Å; S336-L338 PolarHBondContact O-N 3.07Å; S336-K339 PolarHBondContact O-N 3.12Å; S336-K339 VanDerWaalsContact O-N 3.1Å; S336-D341 VanDerWaalsContact CA-CG 3.43Å; S336-D341 VanDerWaalsContact CB-OD2 3.23Å; S336-D341 WeakPolarHBondContact CB-OD2 3.42Å
337	Q	86.3	Confident	88	Confident	114 Å²	114	55.9 Å²	55.9	53%	0.533	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-29.6	174.3	-66.8	169.8	-45.1	0	0	111.5	V333 R334 F335 K339	V333-Q337 HydrophobicContact CG2-CB 4.42Å; R334-Q337 HydrophobicContact CB-CG 4.12Å; R334-Q337 WeakPolarHBondContact O-CB 3.38Å; R334-Q337 PolarHBondContact O-N 3.09Å; F335-Q337 VanDerWaalsContact C-N 3.33Å; F335-Q337 PolarHBondContact O-N 3.04Å; Q337-K339 VanDerWaalsContact C-N 3.3Å
338	L	85	Confident	88	Confident	74 Å²	74	58.1 Å²	58.1	39%	0.387	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	0.3	174.8	-57	177.3	0	0	0	112.7	V333 R334 F335 S336 L340 Y350	V333-L338 HydrophobicContact CG1-CD1 4.23Å; V333-L338 HydrophobicContact CG2-CD1 4.08Å; V333-L338 HydrophobicContact CG2-CD2 4.03Å; V333-L338 HydrophobicContact CG2-CG 3.86Å; R334-L338 PolarHBondContact O-N 3.2Å; F335-L338 HydrophobicContact CD1-CD1 4.42Å; F335-L338 CarbonylContact O-C 3.58Å; F335-L338 PolarHBondContact O-N 3.28Å; F335-L338 VanDerWaalsContact O-N 3.16Å; S336-L338 PolarHBondContact O-N 3.07Å; L338-L340 HydrophobicContact CB-CD1 4.06Å; L338-L340 HydrophobicContact CB-CG 3.92Å; L338-L340 HydrophobicContact CD1-CD1 4.4Å; L338-L340 WeakPolarHBondContact O-CG 3.48Å; L338-L340 PolarHBondContact O-N 2.96Å; L338-Y350 HydrophobicContact CD1-CE1 4.29Å
339	K	83.2	Confident	88	Confident	166 Å²	166	61 Å²	61	72%	0.722	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	30.3	-172.6	-54.9	179.2	178.9	177.2	0	113.6	F335 S336 Q337 H342	F335-K339 PolarHBondContact O-N 2.99Å; F335-K339 VanDerWaalsContact O-N 3.08Å; S336-K339 PolarHBondContact O-N 3.12Å; S336-K339 VanDerWaalsContact O-N 3.1Å; Q337-K339 VanDerWaalsContact C-N 3.3Å; K339-H342 PolarHBondContact O-CE1 3.2Å; K339-H342 PolarHBondContact O-ND1 2.97Å
340	L	85.2	Confident	88	Confident	17 Å²	17	61.1 Å²	61.1	9%	0.089	29%	0.289	C	S	.	.			trans	-105.2	-3.5	179	-58.1	-178.3	0	0	0	113.6	L50 L54 F335 L338 H342 W343 I344	L50-L340 HydrophobicContact CD1-CD1 4.43Å; L54-L340 HydrophobicContact CD2-CD1 4.15Å; L54-L340 HydrophobicContact CD2-CD2 3.39Å; L54-L340 HydrophobicContact CD2-CG 4.42Å; F335-L340 HydrophobicContact CB-CB 4.31Å; F335-L340 HydrophobicContact CD1-CB 4.12Å; F335-L340 HydrophobicContact CD1-CD1 4.3Å; F335-L340 PolarHBondContact O-N 3.16Å; L338-L340 HydrophobicContact CB-CD1 4.06Å; L338-L340 HydrophobicContact CB-CG 3.92Å; L338-L340 HydrophobicContact CD1-CD1 4.4Å; L338-L340 WeakPolarHBondContact O-CG 3.48Å; L338-L340 PolarHBondContact O-N 2.96Å; L340-H342 PolarHBondContact O-N 3.3Å; L340-W343 HydrophobicContact CD2-CZ2 4.27Å; L340-W343 VanDerWaalsContact O-CD1 3.25Å; L340-W343 PolarHBondContact O-N 2.81Å; L340-I344 HydrophobicContact CB-CD1 4.11Å; L340-I344 HydrophobicContact CD1-CD1 4.39Å; L340-I344 PolarHBondContact O-N 2.86Å
341	D	82.4	Confident	88	Confident	86 Å²	86	61.4 Å²	61.4	46%	0.46	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.2	180	62.1	-32.8	0	0	0	114.3	F335 S336 W343	F335-D341 HydrophobicContact CB-CB 4.42Å; F335-D341 PolarHBondContact O-N 3.06Å; S336-D341 VanDerWaalsContact CA-CG 3.43Å; S336-D341 VanDerWaalsContact CB-OD2 3.23Å; S336-D341 WeakPolarHBondContact CB-OD2 3.42Å; D341-W343 PolarHBondContact O-N 3.25Å
342	H	80.9	Confident	88	Confident	77 Å²	77	58.2 Å²	58.2	36%	0.356	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.9	174.1	68.1	-87.2	0	0	0	113.3	R61 K339 L340	R61-H342 PolarHBondContact NE-CD2 2.8Å; R61-H342 PolarHBondContact NH2-O 2.59Å; K339-H342 PolarHBondContact O-CE1 3.2Å; K339-H342 PolarHBondContact O-ND1 2.97Å; L340-H342 PolarHBondContact O-N 3.3Å
343	W	82.4	Confident	88.1	Confident	10 Å²	10	55.8 Å²	55.8	4%	0.038	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.1	-28.8	178.6	69	-84.4	0	0	0	113.8	L54 R61 L340 D341 V345 I404 F405 F416	L54-W343 HydrophobicContact CD2-CZ2 3.67Å; R61-W343 VanDerWaalsContact CZ-CB 3.46Å; L340-W343 HydrophobicContact CD2-CZ2 4.27Å; L340-W343 VanDerWaalsContact O-CD1 3.25Å; L340-W343 PolarHBondContact O-N 2.81Å; D341-W343 PolarHBondContact O-N 3.25Å; W343-V345 PolarHBondContact O-N 2.89Å; W343-I404 HydrophobicContact CE3-CB 4.09Å; W343-I404 HydrophobicContact CE3-CG2 3.71Å; W343-I404 HydrophobicContact CZ3-CB 4.44Å; W343-I404 HydrophobicContact CZ3-CG2 3.62Å; W343-I404 CarbonylContact O-C 3.58Å; W343-I404 WeakPolarHBondContact O-CA 3.48Å; W343-F405 PolarHBondContact O-N 3.22Å; W343-F416 AromaticContact CH2-CE2 3.92Å; W343-F416 HydrophobicContact CH2-CE2 3.92Å; W343-F416 AromaticContact CH2-CZ 3.78Å; W343-F416 HydrophobicContact CH2-CZ 3.78Å; W343-F416 AromaticContact CZ3-CE2 3.95Å; W343-F416 HydrophobicContact CZ3-CE2 3.95Å; W343-F416 AromaticContact CZ3-CZ 3.76Å; W343-F416 HydrophobicContact CZ3-CZ 3.76Å
344	I	86.6	Confident	88.2	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	105	167.3	-58.9	177.8	0	0	0	108.2	F335 L340 V402	F335-I344 HydrophobicContact CD1-CB 4.42Å; F335-I344 HydrophobicContact CD1-CD1 3.55Å; F335-I344 HydrophobicContact CD1-CG2 4.32Å; F335-I344 HydrophobicContact CD2-CB 4.43Å; F335-I344 HydrophobicContact CD2-CG2 3.71Å; F335-I344 HydrophobicContact CE1-CD1 3.45Å; F335-I344 VanDerWaalsContact CE1-CD1 3.45Å; F335-I344 HydrophobicContact CE1-CG2 4.36Å; F335-I344 HydrophobicContact CE2-CG2 3.74Å; F335-I344 HydrophobicContact CG-CB 4.23Å; F335-I344 HydrophobicContact CG-CD1 4.22Å; F335-I344 HydrophobicContact CG-CG2 3.99Å; F335-I344 HydrophobicContact CZ-CD1 4.04Å; F335-I344 HydrophobicContact CZ-CG2 4.06Å; L340-I344 HydrophobicContact CB-CD1 4.11Å; L340-I344 HydrophobicContact CD1-CD1 4.39Å; L340-I344 PolarHBondContact O-N 2.86Å; I344-V402 HydrophobicContact CG2-CB 4.16Å; I344-V402 HydrophobicContact CG2-CG1 4.24Å
345	V	86.6	Confident	88.2	Confident	23 Å²	23	53.2 Å²	53.2	14%	0.139	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-38.7	-176	-176.1	0	0	0	0	111.3	P72 V77 W343 M403 F405 Y411	P72-V345 HydrophobicContact CB-CG2 4.44Å; P72-V345 HydrophobicContact CG-CG2 4.02Å; V77-V345 HydrophobicContact CB-CG1 4.38Å; V77-V345 HydrophobicContact CG1-CG1 3.64Å; V77-V345 HydrophobicContact CG2-CG1 3.85Å; W343-V345 PolarHBondContact O-N 2.89Å; V345-M403 HydrophobicContact CB-CE 3.77Å; V345-M403 HydrophobicContact CG1-CE 3.48Å; V345-M403 VanDerWaalsContact CG1-CE 3.48Å; V345-M403 PolarHBondContact N-O 3.24Å; V345-F405 HydrophobicContact CG2-CB 3.63Å; V345-Y411 HydrophobicContact CG1-CE1 4.44Å; V345-Y411 HydrophobicContact CG2-CD1 4.32Å; V345-Y411 HydrophobicContact CG2-CE1 4.1Å
346	F	88.1	Confident	88.4	Confident	35 Å²	35	61 Å²	61	15%	0.154	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.7	-179.4	-166.1	-90.2	0	0	0	111.5	T81 Y84 K85 V402 M403	T81-F346 HydrophobicContact CG2-CD1 4.45Å; T81-F346 HydrophobicContact CG2-CD2 3.45Å; T81-F346 VanDerWaalsContact CG2-CD2 3.45Å; T81-F346 HydrophobicContact CG2-CE1 4.31Å; T81-F346 HydrophobicContact CG2-CE2 3.29Å; T81-F346 HydrophobicContact CG2-CG 4.06Å; T81-F346 HydrophobicContact CG2-CZ 3.76Å; Y84-F346 AromaticContact CD1-CD1 3.21Å; Y84-F346 HydrophobicContact CD1-CD1 3.21Å; Y84-F346 AromaticContact CD1-CE1 3.27Å; Y84-F346 HydrophobicContact CD1-CE1 3.27Å; Y84-F346 HydrophobicContact CD1-CG 4.44Å; Y84-F346 AromaticContact CE1-CD1 3.45Å; Y84-F346 HydrophobicContact CE1-CD1 3.45Å; Y84-F346 VanDerWaalsContact CE1-CD1 3.45Å; Y84-F346 AromaticContact CE1-CE1 3.43Å; Y84-F346 HydrophobicContact CE1-CE1 3.43Å; Y84-F346 VanDerWaalsContact CE1-CE1 3.43Å; Y84-F346 AromaticContact CG-CD1 3.96Å; Y84-F346 HydrophobicContact CG-CD1 3.96Å; Y84-F346 HydrophobicContact CG-CE1 4.37Å; K85-F346 HydrophobicContact CG-CZ 4.46Å; F346-V402 CarbonylContact O-C 3.47Å; F346-V402 WeakPolarHBondContact O-CA 3.43Å; F346-M403 HydrophobicContact CB-CB 4.12Å; F346-M403 HydrophobicContact CB-CE 4.04Å; F346-M403 PolarHBondContact N-O 3.03Å; F346-M403 PolarHBondContact O-N 3.33Å
347	P	91.3	Very high	88.5	Confident	20 Å²	20	59.7 Å²	59.7	13%	0.13	29%	0.287	C	S	.	.			cis	-68.4	154.2	-7.7	30.9	-34.9	0	0	0	111.8	F335 K349 L400	F335-P347 WeakPolarHBondContact CD2-O 3.47Å; F335-P347 HydrophobicContact CE2-CG 4.37Å; F335-P347 WeakPolarHBondContact CE2-O 3.18Å; P347-K349 PolarHBondContact O-N 3.5Å; P347-L400 HydrophobicContact CG-CD1 4.49Å
348	P	88.8	Confident	88.5	Confident	70 Å²	70	58.4 Å²	58.4	46%	0.455	28%	0.282	S	S	.	.	S	Bend	trans	-72.7	-18.3	178.9	28.5	-36	0	0	0	113.4	R334 F335	R334-P348 WeakPolarHBondContact CA-O 3.27Å; F335-P348 PolarHBondContact N-O 3.28Å; F335-P348 VanDerWaalsContact N-O 3.09Å
349	K	91.9	Very high	88.6	Confident	105 Å²	105	55 Å²	55	46%	0.457	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	150.6	178.1	66.4	-176.9	-179	-177.8	0	110.6	V333 R334 P347	V333-K349 CarbonylContact O-C 3.49Å; V333-K349 WeakPolarHBondContact O-CA 3.39Å; V333-K349 VanDerWaalsContact O-CB 3.29Å; V333-K349 WeakPolarHBondContact O-CB 3.25Å; R334-K349 HydrophobicContact CG-CB 3.93Å; P347-K349 PolarHBondContact O-N 3.5Å
350	Y	92.3	Very high	88.3	Confident	28 Å²	28	48.9 Å²	48.9	11%	0.11	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	169	175.4	78.2	-70.1	0	0	0	110.8	R332 V333 F335 L338 P352 L400 M419 I420	R332-Y350 WeakPolarHBondContact CA-O 3.44Å; V333-Y350 HydrophobicContact CG1-CD1 3.69Å; V333-Y350 HydrophobicContact CG1-CE1 3.27Å; V333-Y350 PolarHBondContact N-O 2.95Å; V333-Y350 PolarHBondContact O-N 2.72Å; F335-Y350 HydrophobicContact CD1-CE1 4.29Å; F335-Y350 HydrophobicContact CD2-CD1 4.48Å; F335-Y350 AromaticContact CE1-CD1 3.82Å; F335-Y350 HydrophobicContact CE1-CD1 3.82Å; F335-Y350 AromaticContact CE1-CE1 3.6Å; F335-Y350 HydrophobicContact CE1-CE1 3.6Å; F335-Y350 AromaticContact CE2-CD1 3.79Å; F335-Y350 HydrophobicContact CE2-CD1 3.79Å; F335-Y350 HydrophobicContact CE2-CE1 4.43Å; F335-Y350 HydrophobicContact CE2-CG 4.48Å; F335-Y350 AromaticContact CZ-CD1 3.42Å; F335-Y350 HydrophobicContact CZ-CD1 3.42Å; F335-Y350 VanDerWaalsContact CZ-CD1 3.42Å; F335-Y350 AromaticContact CZ-CE1 3.71Å; F335-Y350 HydrophobicContact CZ-CE1 3.71Å; F335-Y350 HydrophobicContact CZ-CG 4.13Å; L338-Y350 HydrophobicContact CD1-CE1 4.29Å; Y350-P352 HydrophobicContact CD2-CB 4.25Å; Y350-P352 HydrophobicContact CD2-CG 4.49Å; Y350-P352 HydrophobicContact CE2-CB 3.52Å; Y350-P352 VanDerWaalsContact CE2-CD 3.47Å; Y350-P352 HydrophobicContact CE2-CG 3.95Å; Y350-P352 WeakPolarHBondContact O-CD 3.35Å; Y350-L400 HydrophobicContact CD1-CD2 4.32Å; Y350-L400 HydrophobicContact CD2-CD2 3.64Å; Y350-L400 HydrophobicContact CE2-CD2 4.14Å; Y350-L400 HydrophobicContact CG-CD2 3.75Å; Y350-M419 HydrophobicContact CE2-CE 3.97Å; Y350-I420 HydrophobicContact CD2-CG1 4.43Å
351	N	93.9	Very high	87.3	Confident	33 Å²	33	52.6 Å²	52.6	18%	0.176	26%	0.255	C	S	.	.			trans	-111.4	87.5	176	179.8	15.8	0	0	0	108.4	D330 F331 R332 R353 I420	D330-N351 PolarHBondContact OD1-ND2 3.13Å; F331-N351 PolarHBondContact N-OD1 2.88Å; F331-N351 VanDerWaalsContact O-CA 3.3Å; F331-N351 WeakPolarHBondContact O-CA 3.43Å; F331-N351 PolarHBondContact O-OD1 3.2Å; R332-N351 HydrophobicContact CG-CB 4.27Å; N351-R353 PolarHBondContact O-N 3.2Å; N351-R353 WeakPolarHBondContact OD1-CG 3.38Å; N351-R353 PolarHBondContact OD1-N 2.88Å; N351-I420 WeakPolarHBondContact O-CG2 3.39Å
352	P	92.3	Very high	86.4	Confident	18 Å²	18	52.8 Å²	52.8	12%	0.117	27%	0.268	C	S	.	.			trans	-57.4	-26.8	173.8	21.6	-36.3	0	0	0	113	F331 V333 Y350 I420 A421	F331-P352 HydrophobicContact CD1-CG 3.74Å; F331-P352 HydrophobicContact CE1-CG 4.44Å; F331-P352 WeakPolarHBondContact O-CD 3.1Å; V333-P352 HydrophobicContact CG1-CG 3.99Å; Y350-P352 HydrophobicContact CD2-CB 4.25Å; Y350-P352 HydrophobicContact CD2-CG 4.49Å; Y350-P352 HydrophobicContact CE2-CB 3.52Å; Y350-P352 VanDerWaalsContact CE2-CD 3.47Å; Y350-P352 HydrophobicContact CE2-CG 3.95Å; Y350-P352 WeakPolarHBondContact O-CD 3.35Å; P352-I420 CarbonylContact O-C 3.59Å; P352-I420 VanDerWaalsContact O-CA 3.31Å; P352-I420 WeakPolarHBondContact O-CA 3.36Å; P352-A421 PolarHBondContact O-N 2.93Å
353	R	94.1	Very high	85.4	Confident	95 Å²	95	50.4 Å²	50.4	36%	0.358	26%	0.258	S	S	.	.			trans	57.1	165.4	-165.5	-58.4	179.3	165.5	161.2	0.5	112.2	L328 Y329 D330 N351 I420 A421	L328-R353 HydrophobicContact CD1-CB 3.91Å; L328-R353 HydrophobicContact CG-CB 4.28Å; Y329-R353 CarbonylContact O-C 3.59Å; Y329-R353 WeakPolarHBondContact O-CA 3.3Å; Y329-R353 VanDerWaalsContact O-CB 3.28Å; Y329-R353 WeakPolarHBondContact O-CB 3.41Å; D330-R353 WeakPolarHBondContact OD1-CG 3.43Å; D330-R353 IonicContact OD1-CZ 3.7Å; D330-R353 IonicContact OD1-NE 3.9Å; D330-R353 PolarHBondContact OD1-NE 3.09Å; D330-R353 IonicContact OD1-NH2 2.98Å; N351-R353 PolarHBondContact O-N 3.2Å; N351-R353 WeakPolarHBondContact OD1-CG 3.38Å; N351-R353 PolarHBondContact OD1-N 2.88Å; R353-I420 HydrophobicContact CG-CG2 4.44Å; R353-A421 HydrophobicContact CB-CB 4.26Å; R353-A421 VanDerWaalsContact CD-O 3.23Å; R353-A421 WeakPolarHBondContact CD-O 3.46Å
354	Y	93.6	Very high	84.2	Confident	66 Å²	66	52 Å²	52	26%	0.259	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	157.7	177.3	70.9	-74.9	0	0	0	111.1	L315 Y329 F331 R356	L315-Y354 HydrophobicContact CD2-CE1 4.21Å; L315-Y354 WeakPolarHBondContact CD2-OH 3.47Å; Y329-Y354 VanDerWaalsContact CB-CE1 3.43Å; Y329-Y354 HydrophobicContact CG-CE1 4.45Å; Y329-Y354 PolarHBondContact N-O 2.76Å; Y329-Y354 PolarHBondContact O-N 2.93Å; F331-Y354 HydrophobicContact CB-CD1 3.5Å; F331-Y354 HydrophobicContact CB-CE1 3.79Å; F331-Y354 HydrophobicContact CG-CD1 4.42Å; Y354-R356 HydrophobicContact CD2-CB 4.16Å; Y354-R356 HydrophobicContact CE2-CB 3.82Å
355	C	92.4	Very high	82.5	Confident	19 Å²	19	58.3 Å²	58.3	13%	0.128	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.5	177.5	-64.7	0	0	0	0	110	A327 P394 C424	A327-C355 WeakPolarHBondContact O-CA 3.3Å; C355-P394 HydrophobicContact CB-CG 4.41Å; C355-P394 WeakPolarHBondContact SG-CA 3.47Å; C355-P394 VanDerWaalsContact SG-N 3.45Å; C355-C424 WeakPolarHBondContact CA-SG 3.3Å; C355-C424 HydrophobicContact CB-CB 3.76Å; C355-C424 WeakPolarHBondContact CB-SG 3.19Å; C355-C424 WeakPolarHBondContact SG-CA 3.44Å; C355-C424 WeakPolarHBondContact SG-CB 3.5Å; C355-C424 CovalentContact SG-SG 2.03Å; C355-C424 PolarHBondContact SG-SG 3.42Å
356	R	92.6	Very high	81	Confident	163 Å²	163	63.6 Å²	63.6	62%	0.615	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.8	177.2	175.7	176.1	175.7	163.1	2	109.6	C326 A327 Y329 Y354 C392	C326-R356 WeakPolarHBondContact CA-O 3.29Å; A327-R356 PolarHBondContact N-O 3.14Å; A327-R356 PolarHBondContact O-N 3.47Å; Y329-R356 HydrophobicContact CD2-CB 3.82Å; Y329-R356 HydrophobicContact CE2-CB 3.73Å; Y329-R356 HydrophobicContact CE2-CG 4.44Å; Y329-R356 WeakPolarHBondContact CE2-O 3.45Å; Y354-R356 HydrophobicContact CD2-CB 4.16Å; Y354-R356 HydrophobicContact CE2-CB 3.82Å; R356-C392 VanDerWaalsContact C-SG 3.59Å; R356-C392 PolarHBondContact O-SG 2.85Å
357	G	89.6	Confident	79.4	Confident	31 Å²	31	64.2 Å²	64.2	32%	0.32	33%	0.332	S	S	.	.	S	Bend	trans	127.3	175.7	173.6	0	0	0	0	0	112	T324 C392	T324-G357 CarbonylContact O-C 3.58Å; T324-G357 WeakPolarHBondContact O-CA 3.36Å; G357-C392 WeakPolarHBondContact O-CB 3.48Å
358	I	86.2	Confident	77.9	Confident	86 Å²	86	64.9 Å²	64.9	44%	0.441	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-87.3	138.4	-176.8	-58.5	171.9	0	0	0	108.8	T324 D325 C326 P360	T324-I358 WeakPolarHBondContact O-CB 3.43Å; T324-I358 WeakPolarHBondContact O-CG1 3.31Å; T324-I358 PolarHBondContact O-N 2.86Å; D325-I358 CarbonylContact C-O 3.45Å; D325-I358 WeakPolarHBondContact CA-O 3.17Å; C326-I358 PolarHBondContact N-O 3.4Å; I358-P360 VanDerWaalsContact O-CD 3.25Å; I358-P360 WeakPolarHBondContact O-CD 3.28Å
359	C	85.7	Confident	76.6	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.014	35%	0.347	C	S	.	.			trans	-84.7	107.9	172.9	-72.8	0	0	0	0	110	N377 P390 C426	C359-N377 PolarHBondContact O-ND2 3.25Å; C359-P390 HydrophobicContact CB-CB 4.25Å; C359-P390 PolarHBondContact SG-O 3.47Å; C359-C426 WeakPolarHBondContact CA-SG 3.5Å; C359-C426 HydrophobicContact CB-CB 3.7Å; C359-C426 WeakPolarHBondContact CB-SG 3.35Å; C359-C426 VanDerWaalsContact SG-CA 3.58Å; C359-C426 WeakPolarHBondContact SG-CB 3.29Å; C359-C426 CovalentContact SG-SG 2.03Å; C359-C426 PolarHBondContact SG-SG 3.46Å
360	P	76.8	Confident	75.6	Confident	38 Å²	38	62.3 Å²	62.3	25%	0.247	34%	0.339	C	S	.	.			trans	-69.3	156.2	-176.2	29.4	-34.9	0	0	0	111.4	I358 A362 M363 N377	I358-P360 VanDerWaalsContact O-CD 3.25Å; I358-P360 WeakPolarHBondContact O-CD 3.28Å; P360-A362 PolarHBondContact O-N 3.31Å; P360-M363 HydrophobicContact CG-CG 4.44Å; P360-M363 WeakPolarHBondContact O-CG 3.47Å; P360-N377 PolarHBondContact O-ND2 3.47Å
361	R	64	Low	74.9	Confident	95 Å²	95	65.4 Å²	65.4	36%	0.358	36%	0.36	S	S	.	.	S	Bend	trans	-61.8	-43.3	-178.4	-171.9	-172.3	179.7	117.6	0.5	113.1	E381	R361-E381 WeakPolarHBondContact CD-OE2 3.48Å; R361-E381 IonicContact CZ-OE2 3.61Å; R361-E381 IonicContact NE-OE2 3.84Å; R361-E381 IonicContact NH1-OE2 2.68Å; R361-E381 PolarHBondContact NH1-OE2 2.9Å
362	A	63.6	Low	74.4	Confident	90 Å²	90	69.2 Å²	69.2	74%	0.744	38%	0.377	S	S	*	.	S	Bend	trans	-101.1	84.4	176.7	0	0	0	0	0	109	P360 G364	P360-A362 PolarHBondContact O-N 3.31Å; A362-G364 PolarHBondContact O-N 3.21Å
363	M	60	Low	74.1	Confident	28 Å²	28	68.5 Å²	68.5	14%	0.138	37%	0.372	C	S	.	.			trans	-72.1	127	173.5	-70.5	175.2	-66	0	0	109.3	P360 Y367 T373 C426	P360-M363 HydrophobicContact CG-CG 4.44Å; P360-M363 WeakPolarHBondContact O-CG 3.47Å; M363-Y367 HydrophobicContact CB-CD2 4.07Å; M363-Y367 HydrophobicContact CG-CD2 4.08Å; M363-Y367 HydrophobicContact SD-CD2 4.24Å; M363-T373 HydrophobicContact CE-CG2 3.21Å; M363-T373 HydrophobicContact SD-CG2 3.49Å; M363-T373 WeakPolarHBondContact SD-CG2 3.41Å; M363-C426 HydrophobicContact SD-CB 3.46Å; M363-C426 WeakPolarHBondContact SD-CB 3.34Å
364	G	58.1	Low	73.5	Confident	42 Å²	42	68 Å²	68	43%	0.433	38%	0.375	S	S	.	.			trans	-59.3	159	159.5	0	0	0	0	0	110.2	A362 I366	A362-G364 PolarHBondContact O-N 3.21Å; G364-I366 PolarHBondContact O-N 2.82Å
365	F	51.6	Low	73.1	Confident	138 Å²	138	68.2 Å²	68.2	61%	0.605	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	11.8	-176.5	-60.2	-83.6	0	0	0	116.8	L274 Q278 Y367	L274-F365 HydrophobicContact CD2-CD1 4.09Å; L274-F365 HydrophobicContact CD2-CE1 3.84Å; L274-F365 HydrophobicContact CG-CE1 4.43Å; Q278-F365 VanDerWaalsContact OE1-CZ 3.26Å; F365-Y367 VanDerWaalsContact C-N 3.32Å; F365-Y367 PolarHBondContact O-N 2.76Å
366	I	54.1	Low	72.9	Confident	133 Å²	133	68.9 Å²	68.9	68%	0.682	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.9	-171.3	-55	179.8	0	0	0	112.2	G364	G364-I366 PolarHBondContact O-N 2.82Å
367	Y	55.5	Low	72.5	Confident	48 Å²	48	61.1 Å²	61.1	19%	0.188	36%	0.355	C	S	.	.	S	Bend	trans	-116.2	1.2	-156.6	-65.2	-43.4	0	0	0	118.3	M363 F365 C424 T425	M363-Y367 HydrophobicContact CB-CD2 4.07Å; M363-Y367 HydrophobicContact CG-CD2 4.08Å; M363-Y367 HydrophobicContact SD-CD2 4.24Å; F365-Y367 VanDerWaalsContact C-N 3.32Å; F365-Y367 PolarHBondContact O-N 2.76Å; Y367-C424 WeakPolarHBondContact CD1-O 3.31Å; Y367-C424 WeakPolarHBondContact CE1-O 3.38Å; Y367-T425 WeakPolarHBondContact CA-OG1 3.48Å; Y367-T425 WeakPolarHBondContact CB-OG1 3.35Å; Y367-T425 WeakPolarHBondContact CD1-OG1 3.04Å; Y367-T425 PolarHBondContact O-OG1 3.46Å
368	G	59.9	Low	72.4	Confident	35 Å²	35	62.4 Å²	62.4	36%	0.361	35%	0.354	S	S	.	.	S	Bend	trans	64.7	166.8	-173.9	0	0	0	0	0	111.8	P370	G368-P370 VanDerWaalsContact C-N 3.27Å; G368-P370 VanDerWaalsContact O-CD 3.29Å; G368-P370 WeakPolarHBondContact O-CD 3.15Å
369	S	60.3	Low	72.5	Confident	77 Å²	77	60.9 Å²	60.9	54%	0.538	35%	0.346	S	S	.	.			trans	2	69.5	-162	-163.5	0	0	0	0	115.7	V371 T373	S369-V371 PolarHBondContact O-N 3.48Å; S369-V371 VanDerWaalsContact O-N 3.08Å; S369-T373 PolarHBondContact O-OG1 3.14Å
370	P	70.6	Confident	72.6	Confident	44 Å²	44	64.5 Å²	64.5	29%	0.286	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-23.8	-172.6	23.1	-32.7	0	0	0	111.4	G368 M374	G368-P370 VanDerWaalsContact C-N 3.27Å; G368-P370 VanDerWaalsContact O-CD 3.29Å; G368-P370 WeakPolarHBondContact O-CD 3.15Å; P370-M374 WeakPolarHBondContact O-CB 3.2Å; P370-M374 PolarHBondContact O-N 2.79Å
371	V	78.3	Confident	73	Confident	92 Å²	92	66 Å²	66	56%	0.558	36%	0.364	S	S	*	.	H	α-helix	trans	-69.1	-55.8	-176.4	-175.9	0	0	0	0	112.2	S369 T373 M374 V375	S369-V371 PolarHBondContact O-N 3.48Å; S369-V371 VanDerWaalsContact O-N 3.08Å; V371-T373 VanDerWaalsContact C-N 3.33Å; V371-T373 PolarHBondContact O-N 3.04Å; V371-M374 PolarHBondContact O-N 2.03Å; V371-V375 HydrophobicContact CG1-CG2 4.41Å; V371-V375 VanDerWaalsContact O-CG2 3.3Å; V371-V375 WeakPolarHBondContact O-CG2 3.44Å; V371-V375 PolarHBondContact O-N 2.8Å
372	H	84.1	Confident	74.2	Confident	113 Å²	113	68.9 Å²	68.9	52%	0.523	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-45.6	-178.6	-178.7	-86.2	0	0	0	110.8	M374 V375 Q376	H372-M374 VanDerWaalsContact C-N 3.31Å; H372-M374 PolarHBondContact O-N 3.39Å; H372-V375 PolarHBondContact O-N 3.04Å; H372-Q376 PolarHBondContact CE1-OE1 2.9Å; H372-Q376 VanDerWaalsContact CE1-OE1 3.26Å; H372-Q376 WeakPolarHBondContact O-CB 3.01Å; H372-Q376 PolarHBondContact O-N 2.72Å
373	T	85	Confident	75.6	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.018	38%	0.379	C	S	.	.	H	α-helix	trans	-62.5	-37.9	179.3	-47.9	0	0	0	0	111.6	M363 S369 V371 N377 P390 C426	M363-T373 HydrophobicContact CE-CG2 3.21Å; M363-T373 HydrophobicContact SD-CG2 3.49Å; M363-T373 WeakPolarHBondContact SD-CG2 3.41Å; S369-T373 PolarHBondContact O-OG1 3.14Å; V371-T373 VanDerWaalsContact C-N 3.33Å; V371-T373 PolarHBondContact O-N 3.04Å; T373-N377 WeakPolarHBondContact O-CB 3.42Å; T373-N377 PolarHBondContact O-N 2.73Å; T373-N377 VanDerWaalsContact O-N 3.13Å; T373-P390 HydrophobicContact CG2-CB 3.45Å; T373-P390 VanDerWaalsContact CG2-CB 3.45Å; T373-P390 HydrophobicContact CG2-CG 3.48Å; T373-P390 VanDerWaalsContact CG2-CG 3.48Å; T373-P390 WeakPolarHBondContact O-CG 3.37Å; T373-C426 HydrophobicContact CG2-CB 3.77Å; T373-C426 WeakPolarHBondContact CG2-O 3.37Å; T373-C426 PolarHBondContact OG1-O 3.21Å
374	M	81.4	Confident	77.2	Confident	85 Å²	85	73.5 Å²	73.5	42%	0.419	39%	0.391	S	S	.	.	H	α-helix	trans	-67	-46.3	173.1	-179.2	-178.5	176.7	0	0	111.9	P370 V371 H372 N377 I378	P370-M374 WeakPolarHBondContact O-CB 3.2Å; P370-M374 PolarHBondContact O-N 2.79Å; V371-M374 PolarHBondContact O-N 2.03Å; H372-M374 VanDerWaalsContact C-N 3.31Å; H372-M374 PolarHBondContact O-N 3.39Å; M374-N377 WeakPolarHBondContact O-CB 2.99Å; M374-N377 PolarHBondContact O-N 2.79Å; M374-I378 HydrophobicContact CE-CD1 4.3Å; M374-I378 HydrophobicContact CG-CD1 4.18Å; M374-I378 WeakPolarHBondContact O-CG1 2.78Å; M374-I378 PolarHBondContact O-N 3.05Å
375	V	85.9	Confident	78.7	Confident	70 Å²	70	76 Å²	76	42%	0.424	40%	0.401	S	S	.	.	H	α-helix	trans	-61.6	-44.6	178.7	170.9	0	0	0	0	110.9	V371 H372 N377 I378 I379	V371-V375 HydrophobicContact CG1-CG2 4.41Å; V371-V375 VanDerWaalsContact O-CG2 3.3Å; V371-V375 WeakPolarHBondContact O-CG2 3.44Å; V371-V375 PolarHBondContact O-N 2.8Å; H372-V375 PolarHBondContact O-N 3.04Å; V375-N377 VanDerWaalsContact C-N 3.33Å; V375-N377 PolarHBondContact O-N 2.89Å; V375-I378 CarbonylContact O-C 3.18Å; V375-I378 WeakPolarHBondContact O-CA 3.48Å; V375-I378 WeakPolarHBondContact O-CB 3.15Å; V375-I378 PolarHBondContact O-N 2.92Å; V375-I379 HydrophobicContact CG1-CD1 3.98Å; V375-I379 HydrophobicContact CG1-CG1 4.43Å; V375-I379 WeakPolarHBondContact O-CG1 3.47Å; V375-I379 PolarHBondContact O-N 3.19Å
376	Q	87	Confident	80.7	Confident	33 Å²	33	73.7 Å²	73.7	15%	0.154	40%	0.402	C	S	.	.	H	α-helix	trans	-62.7	-39.5	177.2	-175.4	174.3	-12.2	0	0	112.1	H372 I378 I379 Y380 V387 P388 P390	H372-Q376 PolarHBondContact CE1-OE1 2.9Å; H372-Q376 VanDerWaalsContact CE1-OE1 3.26Å; H372-Q376 WeakPolarHBondContact O-CB 3.01Å; H372-Q376 PolarHBondContact O-N 2.72Å; Q376-I378 VanDerWaalsContact C-N 3.32Å; Q376-I378 PolarHBondContact O-N 3.1Å; Q376-I379 PolarHBondContact O-N 3.21Å; Q376-Y380 PolarHBondContact O-N 3.35Å; Q376-V387 HydrophobicContact CG-CG1 4.28Å; Q376-P388 PolarHBondContact NE2-O 3.25Å; Q376-P390 HydrophobicContact CB-CG 4.29Å; Q376-P390 HydrophobicContact CG-CG 4.31Å
377	N	85.6	Confident	82.5	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-61.9	-39.3	171.2	-93.7	-25.8	0	0	0	112.2	C359 P360 T373 M374 V375 E381 P390	C359-N377 PolarHBondContact O-ND2 3.25Å; P360-N377 PolarHBondContact O-ND2 3.47Å; T373-N377 WeakPolarHBondContact O-CB 3.42Å; T373-N377 PolarHBondContact O-N 2.73Å; T373-N377 VanDerWaalsContact O-N 3.13Å; M374-N377 WeakPolarHBondContact O-CB 2.99Å; M374-N377 PolarHBondContact O-N 2.79Å; V375-N377 VanDerWaalsContact C-N 3.33Å; V375-N377 PolarHBondContact O-N 2.89Å; N377-E381 WeakPolarHBondContact O-CB 3.45Å; N377-E381 VanDerWaalsContact O-CG 3.31Å; N377-E381 WeakPolarHBondContact O-CG 3.43Å; N377-E381 PolarHBondContact O-N 2.79Å; N377-P390 WeakPolarHBondContact OD1-CD 3.38Å
378	I	86.1	Confident	84.2	Confident	59 Å²	59	71.4 Å²	71.4	30%	0.303	40%	0.401	S	S	.	.	H	α-helix	trans	-64.1	-44	174.5	-66.9	165	0	0	0	110.5	M374 V375 Q376 E381 K382	M374-I378 HydrophobicContact CE-CD1 4.3Å; M374-I378 HydrophobicContact CG-CD1 4.18Å; M374-I378 WeakPolarHBondContact O-CG1 2.78Å; M374-I378 PolarHBondContact O-N 3.05Å; V375-I378 CarbonylContact O-C 3.18Å; V375-I378 WeakPolarHBondContact O-CA 3.48Å; V375-I378 WeakPolarHBondContact O-CB 3.15Å; V375-I378 PolarHBondContact O-N 2.92Å; Q376-I378 VanDerWaalsContact C-N 3.32Å; Q376-I378 PolarHBondContact O-N 3.1Å; I378-E381 PolarHBondContact O-N 2.74Å; I378-K382 HydrophobicContact CG2-CB 4.42Å; I378-K382 HydrophobicContact CG2-CG 4.45Å; I378-K382 VanDerWaalsContact O-CB 3.29Å; I378-K382 WeakPolarHBondContact O-CB 3.23Å; I378-K382 PolarHBondContact O-N 3.44Å
379	I	89.3	Confident	85.5	Confident	53 Å²	53	73.6 Å²	73.6	27%	0.272	40%	0.399	S	S	.	.	H	α-helix	trans	-59.1	-52.2	177.8	-67.5	167.5	0	0	0	110.1	V375 Q376 E381 L383 D384 V387	V375-I379 HydrophobicContact CG1-CD1 3.98Å; V375-I379 HydrophobicContact CG1-CG1 4.43Å; V375-I379 WeakPolarHBondContact O-CG1 3.47Å; V375-I379 PolarHBondContact O-N 3.19Å; Q376-I379 PolarHBondContact O-N 3.21Å; I379-E381 VanDerWaalsContact C-N 3.33Å; I379-E381 PolarHBondContact O-N 3.29Å; I379-L383 HydrophobicContact CG2-CB 4.37Å; I379-L383 HydrophobicContact CG2-CD2 4.42Å; I379-L383 WeakPolarHBondContact O-CA 3.28Å; I379-L383 WeakPolarHBondContact O-CB 3.33Å; I379-L383 PolarHBondContact O-N 3.17Å; I379-D384 PolarHBondContact O-N 2.84Å; I379-V387 HydrophobicContact CG2-CB 3.85Å; I379-V387 HydrophobicContact CG2-CG1 3.99Å; I379-V387 HydrophobicContact CG2-CG2 3.83Å
380	Y	87.9	Confident	86.8	Confident	79 Å²	79	70.3 Å²	70.3	31%	0.31	38%	0.376	S	S	.	.	H	α-helix	trans	-56.6	-44.5	177.8	173.3	-88.2	0	0	0	112.3	Q376 V387 R389	Q376-Y380 PolarHBondContact O-N 3.35Å; Y380-V387 WeakPolarHBondContact CB-O 3.36Å; Y380-V387 WeakPolarHBondContact CD2-O 3.17Å; Y380-R389 HydrophobicContact CD1-CG 3.53Å; Y380-R389 VanDerWaalsContact CD1-NE 3.32Å; Y380-R389 HydrophobicContact CD2-CG 3.88Å; Y380-R389 HydrophobicContact CE1-CG 3.79Å; Y380-R389 HydrophobicContact CE2-CG 4.04Å; Y380-R389 HydrophobicContact CG-CG 3.59Å
381	E	85.3	Confident	87.8	Confident	69 Å²	69	71.8 Å²	71.8	32%	0.322	39%	0.387	S	S	.	.	H	α-helix	trans	-83.7	-25.5	-172.5	-69.4	-173.6	165.7	0	0	114.6	R361 N377 I378 I379 R389	R361-E381 WeakPolarHBondContact CD-OE2 3.48Å; R361-E381 IonicContact CZ-OE2 3.61Å; R361-E381 IonicContact NE-OE2 3.84Å; R361-E381 IonicContact NH1-OE2 2.68Å; R361-E381 PolarHBondContact NH1-OE2 2.9Å; N377-E381 WeakPolarHBondContact O-CB 3.45Å; N377-E381 VanDerWaalsContact O-CG 3.31Å; N377-E381 WeakPolarHBondContact O-CG 3.43Å; N377-E381 PolarHBondContact O-N 2.79Å; I378-E381 PolarHBondContact O-N 2.74Å; I379-E381 VanDerWaalsContact C-N 3.33Å; I379-E381 PolarHBondContact O-N 3.29Å; E381-R389 IonicContact OE1-CZ 2.72Å; E381-R389 IonicContact OE1-NH1 3.44Å; E381-R389 IonicContact OE1-NH2 3.35Å; E381-R389 PolarHBondContact OE1-NH2 2.85Å
382	K	89.1	Confident	88.4	Confident	156 Å²	156	68.4 Å²	68.4	68%	0.678	37%	0.367	S	S	*	.	H	α-helix	trans	-124.8	-21.8	-168.5	-61.1	-63.3	-177.8	-176.3	0	114.7	I378	I378-K382 HydrophobicContact CG2-CB 4.42Å; I378-K382 HydrophobicContact CG2-CG 4.45Å; I378-K382 VanDerWaalsContact O-CB 3.29Å; I378-K382 WeakPolarHBondContact O-CB 3.23Å; I378-K382 PolarHBondContact O-N 3.44Å
383	L	92.8	Very high	88.7	Confident	144 Å²	144	65.5 Å²	65.5	75%	0.754	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-59.7	-172.1	-170.5	66.6	0	0	0	112.1	I379	I379-L383 HydrophobicContact CG2-CB 4.37Å; I379-L383 HydrophobicContact CG2-CD2 4.42Å; I379-L383 WeakPolarHBondContact O-CA 3.28Å; I379-L383 WeakPolarHBondContact O-CB 3.33Å; I379-L383 PolarHBondContact O-N 3.17Å
384	D	92.6	Very high	89	Confident	70 Å²	70	67.3 Å²	67.3	37%	0.374	37%	0.369	S	S	.	.			trans	-150	107.7	-173	-174.6	-4.5	0	0	0	111	I379 S386 V387	I379-D384 PolarHBondContact O-N 2.84Å; D384-S386 PolarHBondContact O-N 3.5Å; D384-S386 WeakPolarHBondContact OD1-CB 3.25Å; D384-S386 PolarHBondContact OD1-N 3.47Å; D384-S386 PolarHBondContact OD1-OG 2.04Å; D384-S386 PolarHBondContact OD2-OG 3.37Å; D384-V387 HydrophobicContact CB-CG2 4.39Å; D384-V387 PolarHBondContact O-N 2.78Å
385	S	90.5	Very high	89.3	Confident	94 Å²	94	65.5 Å²	65.5	66%	0.657	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.6	178.1	54.7	0	0	0	0	114.2	V387	S385-V387 VanDerWaalsContact C-N 3.28Å
386	S	94.1	Very high	89.5	Confident	90 Å²	90	65.8 Å²	65.8	63%	0.629	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-25.2	172	78.9	0	0	0	0	112.2	D384	D384-S386 PolarHBondContact O-N 3.5Å; D384-S386 WeakPolarHBondContact OD1-CB 3.25Å; D384-S386 PolarHBondContact OD1-N 3.47Å; D384-S386 PolarHBondContact OD1-OG 2.04Å; D384-S386 PolarHBondContact OD2-OG 3.37Å
387	V	91.9	Very high	89.6	Confident	45 Å²	45	69.1 Å²	69.1	27%	0.273	38%	0.376	S	S	.	.	S	Bend	trans	-77.7	116.6	174	177.2	0	0	0	0	109	Q376 I379 Y380 D384 S385	Q376-V387 HydrophobicContact CG-CG1 4.28Å; I379-V387 HydrophobicContact CG2-CB 3.85Å; I379-V387 HydrophobicContact CG2-CG1 3.99Å; I379-V387 HydrophobicContact CG2-CG2 3.83Å; Y380-V387 WeakPolarHBondContact CB-O 3.36Å; Y380-V387 WeakPolarHBondContact CD2-O 3.17Å; D384-V387 HydrophobicContact CB-CG2 4.39Å; D384-V387 PolarHBondContact O-N 2.78Å; S385-V387 VanDerWaalsContact C-N 3.28Å
388	P	90.2	Very high	89.6	Confident	88 Å²	88	70.9 Å²	70.9	57%	0.571	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-66.2	153.6	-171.7	27.5	-35.6	0	0	0	113	Q376	Q376-P388 PolarHBondContact NE2-O 3.25Å
389	R	87.4	Confident	89.5	Confident	82 Å²	82	70.9 Å²	70.9	31%	0.309	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-59.7	153.1	166.2	-69.7	-173.7	177.5	-134.8	-15.7	110.7	Y380 E381	Y380-R389 HydrophobicContact CD1-CG 3.53Å; Y380-R389 VanDerWaalsContact CD1-NE 3.32Å; Y380-R389 HydrophobicContact CD2-CG 3.88Å; Y380-R389 HydrophobicContact CE1-CG 3.79Å; Y380-R389 HydrophobicContact CE2-CG 4.04Å; Y380-R389 HydrophobicContact CG-CG 3.59Å; E381-R389 IonicContact OE1-CZ 2.72Å; E381-R389 IonicContact OE1-NH1 3.44Å; E381-R389 IonicContact OE1-NH2 3.35Å; E381-R389 PolarHBondContact OE1-NH2 2.85Å
390	P	88.7	Confident	89.3	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.052	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-56.8	149.6	169.1	-20.8	32.8	0	0	0	112.3	C359 T373 Q376 N377	C359-P390 HydrophobicContact CB-CB 4.25Å; C359-P390 PolarHBondContact SG-O 3.47Å; T373-P390 HydrophobicContact CG2-CB 3.45Å; T373-P390 VanDerWaalsContact CG2-CB 3.45Å; T373-P390 HydrophobicContact CG2-CG 3.48Å; T373-P390 VanDerWaalsContact CG2-CG 3.48Å; T373-P390 WeakPolarHBondContact O-CG 3.37Å; Q376-P390 HydrophobicContact CB-CG 4.29Å; Q376-P390 HydrophobicContact CG-CG 4.31Å; N377-P390 WeakPolarHBondContact OD1-CD 3.38Å
391	S	90.5	Very high	89.1	Confident	74 Å²	74	66.4 Å²	66.4	52%	0.517	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-94.3	139.6	-175.4	-67.9	0	0	0	0	111.7	V393 C426 R427	S391-V393 PolarHBondContact O-N 3.11Å; S391-C426 WeakPolarHBondContact O-CA 3.4Å; S391-R427 PolarHBondContact N-O 3.43Å; S391-R427 PolarHBondContact O-N 3.38Å
392	C	90.6	Very high	89	Confident	22 Å²	22	63.2 Å²	63.2	15%	0.149	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	106.5	171.1	-176.4	0	0	0	0	110	C326 R356 G357 T425	C326-C392 WeakPolarHBondContact CA-SG 3.25Å; C326-C392 HydrophobicContact CB-CB 3.71Å; C326-C392 WeakPolarHBondContact CB-SG 3.05Å; C326-C392 VanDerWaalsContact SG-CA 3.58Å; C326-C392 WeakPolarHBondContact SG-CB 3.31Å; C326-C392 CovalentContact SG-SG 2.04Å; C326-C392 PolarHBondContact SG-SG 3.11Å; R356-C392 VanDerWaalsContact C-SG 3.59Å; R356-C392 PolarHBondContact O-SG 2.85Å; G357-C392 WeakPolarHBondContact O-CB 3.48Å; C392-T425 CarbonylContact C-O 3.52Å; C392-T425 WeakPolarHBondContact CA-O 3.35Å
393	V	91.5	Very high	88.9	Confident	51 Å²	51	55.8 Å²	55.8	31%	0.309	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.9	-173.7	-61.2	0	0	0	0	111.4	S391 C424 T425 R427	S391-V393 PolarHBondContact O-N 3.11Å; V393-C424 CarbonylContact O-C 3.53Å; V393-C424 WeakPolarHBondContact O-CA 3.38Å; V393-T425 HydrophobicContact CG2-CG2 3.87Å; V393-T425 PolarHBondContact N-O 3.47Å; V393-T425 PolarHBondContact O-N 3.43Å; V393-T425 VanDerWaalsContact O-O 3.13Å; V393-R427 HydrophobicContact CG2-CB 4.12Å
394	P	91.3	Very high	88.5	Confident	41 Å²	41	49.1 Å²	49.1	27%	0.266	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	139	173.5	-14.6	28.1	0	0	0	112	C355 Y397 A421 R423	C355-P394 HydrophobicContact CB-CG 4.41Å; C355-P394 WeakPolarHBondContact SG-CA 3.47Å; C355-P394 VanDerWaalsContact SG-N 3.45Å; P394-Y397 HydrophobicContact CB-CD1 4.47Å; P394-Y397 HydrophobicContact CB-CE1 3.66Å; P394-Y397 HydrophobicContact CB-CE2 4.27Å; P394-Y397 WeakPolarHBondContact CB-OH 3.44Å; P394-Y397 HydrophobicContact CG-CE1 4.08Å; P394-A421 HydrophobicContact CB-CB 3.86Å; P394-A421 HydrophobicContact CG-CB 4.11Å; P394-R423 CarbonylContact C-O 3.43Å; P394-R423 WeakPolarHBondContact CA-O 3.29Å
395	S	87.3	Confident	88	Confident	47 Å²	47	46.1 Å²	46.1	33%	0.329	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-30.3	176.7	46.1	0	0	0	0	113.4	R423 C424	S395-R423 PolarHBondContact N-O 2.68Å; S395-R423 VanDerWaalsContact OG-CB 3.31Å; S395-R423 WeakPolarHBondContact OG-CB 3.06Å; S395-R423 PolarHBondContact OG-O 3.5Å; S395-C424 PolarHBondContact OG-O 3.26Å
396	N	89.3	Confident	87.5	Confident	77 Å²	77	42.9 Å²	42.9	41%	0.412	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.9	-179.9	-66	81.4	0	0	0	109.3	T422 R423	N396-T422 VanDerWaalsContact C-OG1 3.25Å; N396-T422 VanDerWaalsContact CB-OG1 3.25Å; N396-T422 WeakPolarHBondContact CB-OG1 3.46Å; N396-T422 PolarHBondContact O-N 2.83Å; N396-T422 PolarHBondContact O-OG1 3.42Å; N396-R423 HydrophobicContact CB-CB 4.06Å; N396-R423 HydrophobicContact CB-CG 4.27Å; N396-R423 PolarHBondContact O-N 2.85Å
397	Y	88.6	Confident	86.5	Confident	103 Å²	103	44.4 Å²	44.4	40%	0.404	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.8	179.5	-54.4	-97.8	0	0	0	111	P394 D418 I420 A421	P394-Y397 HydrophobicContact CB-CD1 4.47Å; P394-Y397 HydrophobicContact CB-CE1 3.66Å; P394-Y397 HydrophobicContact CB-CE2 4.27Å; P394-Y397 WeakPolarHBondContact CB-OH 3.44Å; P394-Y397 HydrophobicContact CG-CE1 4.08Å; Y397-D418 VanDerWaalsContact CB-CA 3.46Å; Y397-D418 HydrophobicContact CD1-CB 4.28Å; Y397-D418 HydrophobicContact CD2-CB 4.1Å; Y397-D418 HydrophobicContact CG-CB 3.83Å; Y397-I420 CarbonylContact C-O 3.11Å; Y397-I420 WeakPolarHBondContact CA-O 3.39Å; Y397-A421 HydrophobicContact CD1-CB 4.39Å
398	S	86.1	Confident	85.5	Confident	37 Å²	37	44.5 Å²	44.5	26%	0.259	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.6	167	58.6	0	0	0	0	109.9	M419 I420 T422	S398-M419 PolarHBondContact O-N 2.85Å; S398-I420 PolarHBondContact N-O 3.28Å; S398-I420 PolarHBondContact O-N 2.95Å; S398-I420 WeakPolarHBondContact OG-CB 3.49Å; S398-T422 WeakPolarHBondContact OG-CG2 3.3Å
399	P	84	Confident	84.7	Confident	59 Å²	59	41 Å²	41	38%	0.383	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	162.8	178.5	29.7	-35.4	0	0	0	112.6	E415 F416	P399-E415 HydrophobicContact CB-CG 3.53Å; P399-E415 HydrophobicContact CG-CG 4.24Å; P399-F416 CarbonylContact C-O 3.56Å; P399-F416 WeakPolarHBondContact CA-O 3.39Å; P399-F416 WeakPolarHBondContact CB-O 3.25Å
400	L	85.1	Confident	84.2	Confident	17 Å²	17	37.1 Å²	37.1	9%	0.089	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.3	168.5	178.4	67.9	0	0	0	109.5	F335 P347 Y350 V402 F416 M419 I420	F335-L400 HydrophobicContact CZ-CD2 3.78Å; P347-L400 HydrophobicContact CG-CD1 4.49Å; Y350-L400 HydrophobicContact CD1-CD2 4.32Å; Y350-L400 HydrophobicContact CD2-CD2 3.64Å; Y350-L400 HydrophobicContact CE2-CD2 4.14Å; Y350-L400 HydrophobicContact CG-CD2 3.75Å; L400-V402 HydrophobicContact CD2-CG1 3.86Å; L400-V402 HydrophobicContact CG-CG1 3.84Å; L400-F416 PolarHBondContact N-O 3.42Å; L400-F416 PolarHBondContact O-N 3.24Å; L400-M419 HydrophobicContact CB-CB 3.47Å; L400-M419 VanDerWaalsContact CB-CB 3.47Å; L400-M419 HydrophobicContact CB-CG 3.88Å; L400-M419 HydrophobicContact CD2-CB 4.5Å; L400-M419 HydrophobicContact CD2-CE 4.13Å; L400-I420 HydrophobicContact CB-CD1 4.46Å; L400-I420 HydrophobicContact CD1-CD1 4.27Å
401	S	83.9	Confident	83.7	Confident	21 Å²	21	37.1 Å²	37.1	15%	0.147	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.4	165.9	-77.7	0	0	0	0	110.5	Y84 K414 E415	Y84-S401 VanDerWaalsContact OH-C 3.23Å; Y84-S401 VanDerWaalsContact OH-CB 3.25Å; Y84-S401 WeakPolarHBondContact OH-CB 3.49Å; Y84-S401 PolarHBondContact OH-O 3.34Å; S401-K414 CarbonylContact C-O 3.37Å; S401-K414 WeakPolarHBondContact CA-O 2.93Å; S401-E415 PolarHBondContact OG-OE2 2.87Å
402	V	84.2	Confident	83.1	Confident	1 Å²	1	34 Å²	34	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.8	177.6	-57	0	0	0	0	110.9	F335 I344 F346 L400 I404 Y413 K414 F416	F335-V402 HydrophobicContact CZ-CG1 4.4Å; I344-V402 HydrophobicContact CG2-CB 4.16Å; I344-V402 HydrophobicContact CG2-CG1 4.24Å; F346-V402 CarbonylContact O-C 3.47Å; F346-V402 WeakPolarHBondContact O-CA 3.43Å; L400-V402 HydrophobicContact CD2-CG1 3.86Å; L400-V402 HydrophobicContact CG-CG1 3.84Å; V402-I404 HydrophobicContact CG2-CG2 3.64Å; V402-Y413 WeakPolarHBondContact O-CA 3.48Å; V402-K414 HydrophobicContact CG2-CB 4.24Å; V402-K414 WeakPolarHBondContact CG2-O 3.44Å; V402-K414 PolarHBondContact N-O 3.38Å; V402-K414 PolarHBondContact O-N 3.21Å; V402-F416 HydrophobicContact CG1-CD2 4.2Å; V402-F416 HydrophobicContact CG2-CD2 3.52Å; V402-F416 HydrophobicContact CG2-CE2 3.31Å; V402-F416 HydrophobicContact CG2-CZ 4.41Å
403	M	85.4	Confident	82.5	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.6	166.3	-172.4	175.6	77.1	0	0	108.4	L80 V345 F346 Y411 A412 Y413	L80-M403 HydrophobicContact CB-CE 3.93Å; L80-M403 HydrophobicContact CB-SD 3.7Å; V345-M403 HydrophobicContact CB-CE 3.77Å; V345-M403 HydrophobicContact CG1-CE 3.48Å; V345-M403 VanDerWaalsContact CG1-CE 3.48Å; V345-M403 PolarHBondContact N-O 3.24Å; F346-M403 HydrophobicContact CB-CB 4.12Å; F346-M403 HydrophobicContact CB-CE 4.04Å; F346-M403 PolarHBondContact N-O 3.03Å; F346-M403 PolarHBondContact O-N 3.33Å; M403-Y411 HydrophobicContact CE-CD1 4.24Å; M403-Y411 HydrophobicContact CG-CD1 4.44Å; M403-Y411 HydrophobicContact SD-CD1 4.45Å; M403-A412 CarbonylContact C-O 3.58Å; M403-A412 WeakPolarHBondContact CA-O 3.46Å; M403-Y413 HydrophobicContact CB-CD1 4.18Å; M403-Y413 HydrophobicContact CB-CE1 4.15Å; M403-Y413 HydrophobicContact CG-CD1 4.3Å; M403-Y413 HydrophobicContact CG-CE1 4.04Å; M403-Y413 HydrophobicContact SD-CE1 4.12Å
404	I	84.3	Confident	81.8	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	155.6	179.8	67	171.7	0	0	0	111.2	W343 V402 E406 Y411 A412 K414 F416	W343-I404 HydrophobicContact CE3-CB 4.09Å; W343-I404 HydrophobicContact CE3-CG2 3.71Å; W343-I404 HydrophobicContact CZ3-CB 4.44Å; W343-I404 HydrophobicContact CZ3-CG2 3.62Å; W343-I404 CarbonylContact O-C 3.58Å; W343-I404 WeakPolarHBondContact O-CA 3.48Å; V402-I404 HydrophobicContact CG2-CG2 3.64Å; I404-E406 HydrophobicContact CD1-CG 4.17Å; I404-E406 HydrophobicContact CG1-CG 4.4Å; I404-Y411 CarbonylContact O-C 3.59Å; I404-Y411 VanDerWaalsContact O-CA 3.23Å; I404-Y411 WeakPolarHBondContact O-CA 3.44Å; I404-A412 HydrophobicContact CD1-CB 4.15Å; I404-A412 HydrophobicContact CG1-CB 3.78Å; I404-A412 WeakPolarHBondContact CG1-O 2.94Å; I404-A412 PolarHBondContact N-O 2.85Å; I404-A412 PolarHBondContact O-N 2.94Å; I404-K414 HydrophobicContact CD1-CB 4.46Å; I404-K414 HydrophobicContact CD1-CD 4.4Å; I404-K414 HydrophobicContact CG2-CB 4.47Å; I404-F416 HydrophobicContact CG2-CE2 4.48Å
405	F	83.8	Confident	81	Confident	7 Å²	7	32.4 Å²	32.4	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.1	170.2	-176.3	-102.5	0	0	0	109.4	R61 V70 P72 W343 V345 G409 S410 Y411	R61-F405 PolarHBondContact NH1-O 3.21Å; V70-F405 HydrophobicContact CB-CE1 4.23Å; V70-F405 HydrophobicContact CB-CZ 4.12Å; V70-F405 HydrophobicContact CG1-CE1 4.37Å; V70-F405 HydrophobicContact CG1-CZ 3.77Å; V70-F405 WeakPolarHBondContact O-CE1 3.32Å; P72-F405 HydrophobicContact CB-CD2 4.4Å; P72-F405 HydrophobicContact CG-CB 4.02Å; P72-F405 HydrophobicContact CG-CD1 3.98Å; P72-F405 HydrophobicContact CG-CD2 4.02Å; P72-F405 HydrophobicContact CG-CE1 4.47Å; P72-F405 HydrophobicContact CG-CE2 4.47Å; P72-F405 HydrophobicContact CG-CG 3.72Å; W343-F405 PolarHBondContact O-N 3.22Å; V345-F405 HydrophobicContact CG2-CB 3.63Å; F405-G409 VanDerWaalsContact CE2-O 3.26Å; F405-G409 WeakPolarHBondContact CE2-O 3.17Å; F405-S410 WeakPolarHBondContact CA-O 3.01Å; F405-Y411 HydrophobicContact CD2-CD1 4.07Å; F405-Y411 HydrophobicContact CD2-CD2 4.41Å; F405-Y411 AromaticContact CD2-CE1 3.66Å; F405-Y411 HydrophobicContact CD2-CE1 3.66Å; F405-Y411 HydrophobicContact CD2-CE2 4.01Å; F405-Y411 HydrophobicContact CD2-CG 4.43Å; F405-Y411 AromaticContact CD2-CZ 3.62Å; F405-Y411 HydrophobicContact CE2-CE1 4.4Å; F405-Y411 HydrophobicContact CE2-CE2 4.08Å; F405-Y411 AromaticContact CE2-CZ 3.9Å
406	E	78.6	Confident	80.6	Confident	26 Å²	26	30.2 Å²	30.2	12%	0.121	16%	0.158	C	C	.	.			trans	-82.7	162.9	-177.6	-62.9	-158.3	159.5	0	0	111.7	R104 R133 I404 D408 G409 S410	R104-E406 IonicContact NH2-OE2 3.37Å; R133-E406 IonicContact CZ-OE2 3.53Å; R133-E406 IonicContact NH1-OE1 3.44Å; R133-E406 IonicContact NH1-OE2 3.77Å; R133-E406 IonicContact NH2-OE2 2.73Å; R133-E406 PolarHBondContact NH2-OE2 2.88Å; I404-E406 HydrophobicContact CD1-CG 4.17Å; I404-E406 HydrophobicContact CG1-CG 4.4Å; E406-D408 VanDerWaalsContact CB-OD1 3.27Å; E406-D408 WeakPolarHBondContact CB-OD1 3.39Å; E406-D408 PolarHBondContact O-N 3.48Å; E406-G409 PolarHBondContact O-N 2.58Å; E406-G409 VanDerWaalsContact O-N 3.1Å; E406-S410 PolarHBondContact N-O 3.29Å
407	E	74.1	Confident	80.2	Confident	121 Å²	121	28.9 Å²	28.9	57%	0.565	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.1	-178.9	-63.4	-173.8	170.2	0	0	113.1	T60 G409	T60-E407 PolarHBondContact OG1-OE1 2.79Å; E407-G409 PolarHBondContact O-N 3.27Å
408	D	71.3	Confident	79.9	Confident	47 Å²	47	27.8 Å²	27.8	25%	0.251	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	0.6	175.8	63.8	7.8	0	0	0	113.4	R104 Q131 R133 E406 S410	R104-D408 IonicContact CZ-OD2 3.97Å; R104-D408 IonicContact NH1-OD1 3.59Å; R104-D408 IonicContact NH1-OD2 3.33Å; R104-D408 PolarHBondContact NH1-OD2 3.39Å; R104-D408 IonicContact NH2-OD2 2.71Å; Q131-D408 PolarHBondContact NE2-O 2.86Å; R133-D408 IonicContact NH2-OD2 2.8Å; E406-D408 VanDerWaalsContact CB-OD1 3.27Å; E406-D408 WeakPolarHBondContact CB-OD1 3.39Å; E406-D408 PolarHBondContact O-N 3.48Å; D408-S410 WeakPolarHBondContact OD1-CB 3.5Å; D408-S410 PolarHBondContact OD1-N 2.98Å; D408-S410 PolarHBondContact OD1-OG 3.22Å
409	G	72.7	Confident	80	Confident	16 Å²	16	26.7 Å²	26.7	17%	0.165	14%	0.14	C	C	.	.	S	Bend	trans	87.2	4.1	179.8	0	0	0	0	0	114.5	F405 E406 E407	F405-G409 VanDerWaalsContact CE2-O 3.26Å; F405-G409 WeakPolarHBondContact CE2-O 3.17Å; E406-G409 PolarHBondContact O-N 2.58Å; E406-G409 VanDerWaalsContact O-N 3.1Å; E407-G409 PolarHBondContact O-N 3.27Å
410	S	75.9	Confident	80.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.			trans	-88.3	166.4	-179.4	73.5	0	0	0	0	113.7	R104 F405 E406 D408	R104-S410 VanDerWaalsContact NH1-CB 3.34Å; R104-S410 PolarHBondContact NH1-OG 3.41Å; F405-S410 WeakPolarHBondContact CA-O 3.01Å; E406-S410 PolarHBondContact N-O 3.29Å; D408-S410 WeakPolarHBondContact OD1-CB 3.5Å; D408-S410 PolarHBondContact OD1-N 2.98Å; D408-S410 PolarHBondContact OD1-OG 3.22Å
411	Y	80.3	Confident	80.7	Confident	8 Å²	8	24.7 Å²	24.7	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.2	174.9	-61.5	-97.9	0	0	0	110.3	P72 L80 I103 L105 V345 M403 I404 F405	P72-Y411 WeakPolarHBondContact CA-OH 3.45Å; P72-Y411 HydrophobicContact CB-CE1 4.22Å; P72-Y411 WeakPolarHBondContact CB-OH 3.44Å; L80-Y411 HydrophobicContact CD1-CD1 3.78Å; L80-Y411 HydrophobicContact CD1-CD2 3.55Å; L80-Y411 HydrophobicContact CD1-CE1 3.86Å; L80-Y411 HydrophobicContact CD1-CE2 3.67Å; L80-Y411 HydrophobicContact CD1-CG 3.62Å; I103-Y411 CarbonylContact C-O 3.51Å; I103-Y411 WeakPolarHBondContact CA-O 3.47Å; I103-Y411 PolarHBondContact N-O 2.87Å; I103-Y411 CarbonylContact O-C 3.52Å; I103-Y411 PolarHBondContact O-N 2.03Å; L105-Y411 HydrophobicContact CB-CD2 4.14Å; L105-Y411 HydrophobicContact CB-CE2 4.3Å; V345-Y411 HydrophobicContact CG1-CE1 4.44Å; V345-Y411 HydrophobicContact CG2-CD1 4.32Å; V345-Y411 HydrophobicContact CG2-CE1 4.1Å; M403-Y411 HydrophobicContact CE-CD1 4.24Å; M403-Y411 HydrophobicContact CG-CD1 4.44Å; M403-Y411 HydrophobicContact SD-CD1 4.45Å; I404-Y411 CarbonylContact O-C 3.59Å; I404-Y411 VanDerWaalsContact O-CA 3.23Å; I404-Y411 WeakPolarHBondContact O-CA 3.44Å; F405-Y411 HydrophobicContact CD2-CD1 4.07Å; F405-Y411 HydrophobicContact CD2-CD2 4.41Å; F405-Y411 AromaticContact CD2-CE1 3.66Å; F405-Y411 HydrophobicContact CD2-CE1 3.66Å; F405-Y411 HydrophobicContact CD2-CE2 4.01Å; F405-Y411 HydrophobicContact CD2-CG 4.43Å; F405-Y411 AromaticContact CD2-CZ 3.62Å; F405-Y411 HydrophobicContact CE2-CE1 4.4Å; F405-Y411 HydrophobicContact CE2-CE2 4.08Å; F405-Y411 AromaticContact CE2-CZ 3.9Å
412	A	77.2	Confident	81	Confident	7 Å²	7	26.1 Å²	26.1	6%	0.058	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.6	179.4	0	0	0	0	0	111.4	T102 M403 I404	T102-A412 HydrophobicContact CG2-CB 4.17Å; M403-A412 CarbonylContact C-O 3.58Å; M403-A412 WeakPolarHBondContact CA-O 3.46Å; I404-A412 HydrophobicContact CD1-CB 4.15Å; I404-A412 HydrophobicContact CG1-CB 3.78Å; I404-A412 WeakPolarHBondContact CG1-O 2.94Å; I404-A412 PolarHBondContact N-O 2.85Å; I404-A412 PolarHBondContact O-N 2.94Å
413	Y	78	Confident	81.3	Confident	19 Å²	19	34 Å²	34	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	107.1	172.5	-61.7	-62.6	0	0	0	110	V83 Y84 Y100 N101 I103 R259 V402 M403	V83-Y413 WeakPolarHBondContact CG1-OH 3.05Å; Y84-Y413 AromaticContact CD2-CD1 3.56Å; Y84-Y413 HydrophobicContact CD2-CD1 3.56Å; Y84-Y413 AromaticContact CD2-CE1 3.39Å; Y84-Y413 HydrophobicContact CD2-CE1 3.39Å; Y84-Y413 HydrophobicContact CE2-CD1 4.13Å; Y84-Y413 HydrophobicContact CE2-CE1 4.38Å; Y84-Y413 HydrophobicContact CG-CE1 4.08Å; Y84-Y413 PolarHBondContact N-OH 2.84Å; Y100-Y413 HydrophobicContact CD2-CD2 4.25Å; Y100-Y413 HydrophobicContact CD2-CE2 4.01Å; Y100-Y413 HydrophobicContact CE2-CD2 4.35Å; Y100-Y413 AromaticContact CE2-CE2 3.73Å; Y100-Y413 HydrophobicContact CE2-CE2 3.73Å; N101-Y413 CarbonylContact O-C 3.5Å; N101-Y413 WeakPolarHBondContact O-CA 3.49Å; N101-Y413 VanDerWaalsContact O-CB 3.27Å; N101-Y413 WeakPolarHBondContact O-CB 3.04Å; N101-Y413 PolarHBondContact O-N 3.05Å; N101-Y413 VanDerWaalsContact O-O 3.04Å; I103-Y413 HydrophobicContact CB-CE2 4.41Å; I103-Y413 HydrophobicContact CD1-CD2 4.38Å; I103-Y413 HydrophobicContact CD1-CE2 3.28Å; I103-Y413 WeakPolarHBondContact CD1-OH 3.33Å; I103-Y413 HydrophobicContact CG1-CD2 4.18Å; I103-Y413 HydrophobicContact CG1-CE2 3.5Å; R259-Y413 PolarHBondContact NH2-O 3.43Å; V402-Y413 WeakPolarHBondContact O-CA 3.48Å; M403-Y413 HydrophobicContact CB-CD1 4.18Å; M403-Y413 HydrophobicContact CB-CE1 4.15Å; M403-Y413 HydrophobicContact CG-CD1 4.3Å; M403-Y413 HydrophobicContact CG-CE1 4.04Å; M403-Y413 HydrophobicContact SD-CE1 4.12Å
414	K	76.4	Confident	81.5	Confident	16 Å²	16	34.5 Å²	34.5	7%	0.07	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.9	178.4	-166.3	158.3	-178.9	179.5	0	110.3	H57 S401 V402 I404 F416	H57-K414 PolarHBondContact NE2-NZ 2.91Å; H57-K414 VanDerWaalsContact NE2-NZ 3.13Å; S401-K414 CarbonylContact C-O 3.37Å; S401-K414 WeakPolarHBondContact CA-O 2.93Å; V402-K414 HydrophobicContact CG2-CB 4.24Å; V402-K414 WeakPolarHBondContact CG2-O 3.44Å; V402-K414 PolarHBondContact N-O 3.38Å; V402-K414 PolarHBondContact O-N 3.21Å; I404-K414 HydrophobicContact CD1-CB 4.46Å; I404-K414 HydrophobicContact CD1-CD 4.4Å; I404-K414 HydrophobicContact CG2-CB 4.47Å; K414-F416 HydrophobicContact CB-CZ 4.39Å; K414-F416 HydrophobicContact CD-CD1 4.34Å; K414-F416 HydrophobicContact CD-CE1 3.52Å; K414-F416 HydrophobicContact CD-CZ 3.62Å; K414-F416 HydrophobicContact CG-CD1 4.26Å; K414-F416 HydrophobicContact CG-CE1 3.87Å; K414-F416 HydrophobicContact CG-CE2 4.43Å; K414-F416 HydrophobicContact CG-CZ 3.96Å
415	E	74.5	Confident	81.6	Confident	47 Å²	47	34.4 Å²	34.4	22%	0.22	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.6	169.2	-174.5	168.8	78.5	0	0	108.9	R259 P399 S401	R259-E415 HydrophobicContact CG-CB 4.44Å; P399-E415 HydrophobicContact CB-CG 3.53Å; P399-E415 HydrophobicContact CG-CG 4.24Å; S401-E415 PolarHBondContact OG-OE2 2.87Å
416	F	79	Confident	81.7	Confident	1 Å²	1	34 Å²	34	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121	176.4	-70.5	-59.1	0	0	0	109.7	A53 W343 P399 L400 V402 I404 K414 M419	A53-F416 HydrophobicContact CB-CD1 3.88Å; A53-F416 HydrophobicContact CB-CE1 3.31Å; A53-F416 HydrophobicContact CB-CZ 4.05Å; W343-F416 AromaticContact CH2-CE2 3.92Å; W343-F416 HydrophobicContact CH2-CE2 3.92Å; W343-F416 AromaticContact CH2-CZ 3.78Å; W343-F416 HydrophobicContact CH2-CZ 3.78Å; W343-F416 AromaticContact CZ3-CE2 3.95Å; W343-F416 HydrophobicContact CZ3-CE2 3.95Å; W343-F416 AromaticContact CZ3-CZ 3.76Å; W343-F416 HydrophobicContact CZ3-CZ 3.76Å; P399-F416 CarbonylContact C-O 3.56Å; P399-F416 WeakPolarHBondContact CA-O 3.39Å; P399-F416 WeakPolarHBondContact CB-O 3.25Å; L400-F416 PolarHBondContact N-O 3.42Å; L400-F416 PolarHBondContact O-N 3.24Å; V402-F416 HydrophobicContact CG1-CD2 4.2Å; V402-F416 HydrophobicContact CG2-CD2 3.52Å; V402-F416 HydrophobicContact CG2-CE2 3.31Å; V402-F416 HydrophobicContact CG2-CZ 4.41Å; I404-F416 HydrophobicContact CG2-CE2 4.48Å; K414-F416 HydrophobicContact CB-CZ 4.39Å; K414-F416 HydrophobicContact CD-CD1 4.34Å; K414-F416 HydrophobicContact CD-CE1 3.52Å; K414-F416 HydrophobicContact CD-CZ 3.62Å; K414-F416 HydrophobicContact CG-CD1 4.26Å; K414-F416 HydrophobicContact CG-CE1 3.87Å; K414-F416 HydrophobicContact CG-CE2 4.43Å; K414-F416 HydrophobicContact CG-CZ 3.96Å; F416-M419 HydrophobicContact CB-CG 3.45Å; F416-M419 VanDerWaalsContact CB-CG 3.45Å; F416-M419 HydrophobicContact CB-SD 4.14Å; F416-M419 WeakPolarHBondContact O-CG 3.16Å
417	K	80	Confident	82	Confident	48 Å²	48	41 Å²	41	21%	0.209	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	158.4	174.8	-63.7	-166.7	-177.4	-172.4	0	111.5	P49 Q258 L261 M419	P49-K417 HydrophobicContact CB-CB 4.45Å; P49-K417 VanDerWaalsContact CB-O 3.29Å; P49-K417 WeakPolarHBondContact CB-O 3.39Å; P49-K417 HydrophobicContact CG-CB 4.33Å; P49-K417 WeakPolarHBondContact CG-O 3.06Å; Q258-K417 WeakPolarHBondContact O-CE 3.33Å; Q258-K417 PolarHBondContact O-NZ 3.25Å; L261-K417 PolarHBondContact O-NZ 2.91Å; K417-M419 VanDerWaalsContact C-N 3.25Å; K417-M419 PolarHBondContact O-N 3.08Å; K417-M419 VanDerWaalsContact O-N 3.16Å
418	D	84.3	Confident	82.4	Confident	80 Å²	80	37.1 Å²	37.1	43%	0.428	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.7	36	172.4	-43.7	-44.1	0	0	0	116	P49 Y397	P49-D418 HydrophobicContact CG-CB 3.89Å; P49-D418 WeakPolarHBondContact CG-OD2 3.03Å; Y397-D418 VanDerWaalsContact CB-CA 3.46Å; Y397-D418 HydrophobicContact CD1-CB 4.28Å; Y397-D418 HydrophobicContact CD2-CB 4.1Å; Y397-D418 HydrophobicContact CG-CB 3.83Å
419	M	87.1	Confident	82.9	Confident	14 Å²	14	36.5 Å²	36.5	7%	0.069	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-21.4	-175.5	-75.7	-61.9	-65.7	0	0	114.3	L50 Y350 S398 L400 F416 K417	L50-M419 HydrophobicContact CB-SD 3.79Å; L50-M419 HydrophobicContact CD1-CE 3.87Å; L50-M419 HydrophobicContact CD1-SD 3.99Å; L50-M419 HydrophobicContact CD2-CE 4.43Å; L50-M419 HydrophobicContact CG-SD 4.32Å; Y350-M419 HydrophobicContact CE2-CE 3.97Å; S398-M419 PolarHBondContact O-N 2.85Å; L400-M419 HydrophobicContact CB-CB 3.47Å; L400-M419 VanDerWaalsContact CB-CB 3.47Å; L400-M419 HydrophobicContact CB-CG 3.88Å; L400-M419 HydrophobicContact CD2-CB 4.5Å; L400-M419 HydrophobicContact CD2-CE 4.13Å; F416-M419 HydrophobicContact CB-CG 3.45Å; F416-M419 VanDerWaalsContact CB-CG 3.45Å; F416-M419 HydrophobicContact CB-SD 4.14Å; F416-M419 WeakPolarHBondContact O-CG 3.16Å; K417-M419 VanDerWaalsContact C-N 3.25Å; K417-M419 PolarHBondContact O-N 3.08Å; K417-M419 VanDerWaalsContact O-N 3.16Å
420	I	91.6	Very high	83.5	Confident	31 Å²	31	37.7 Å²	37.7	16%	0.159	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118	-176.8	-58.4	169	0	0	0	108.7	Y350 N351 P352 R353 Y397 S398 L400 T422	Y350-I420 HydrophobicContact CD2-CG1 4.43Å; N351-I420 WeakPolarHBondContact O-CG2 3.39Å; P352-I420 CarbonylContact O-C 3.59Å; P352-I420 VanDerWaalsContact O-CA 3.31Å; P352-I420 WeakPolarHBondContact O-CA 3.36Å; R353-I420 HydrophobicContact CG-CG2 4.44Å; Y397-I420 CarbonylContact C-O 3.11Å; Y397-I420 WeakPolarHBondContact CA-O 3.39Å; S398-I420 PolarHBondContact N-O 3.28Å; S398-I420 PolarHBondContact O-N 2.95Å; S398-I420 WeakPolarHBondContact OG-CB 3.49Å; L400-I420 HydrophobicContact CB-CD1 4.46Å; L400-I420 HydrophobicContact CD1-CD1 4.27Å; I420-T422 PolarHBondContact O-N 3.13Å
421	A	92.4	Very high	84	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.033	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.3	175.1	0	0	0	0	0	110.9	L328 P352 R353 P394 Y397	L328-A421 HydrophobicContact CD1-CB 3.74Å; P352-A421 PolarHBondContact O-N 2.93Å; R353-A421 HydrophobicContact CB-CB 4.26Å; R353-A421 VanDerWaalsContact CD-O 3.23Å; R353-A421 WeakPolarHBondContact CD-O 3.46Å; P394-A421 HydrophobicContact CB-CB 3.86Å; P394-A421 HydrophobicContact CG-CB 4.11Å; Y397-A421 HydrophobicContact CD1-CB 4.39Å
422	T	90.8	Very high	84.2	Confident	51 Å²	51	41.9 Å²	41.9	31%	0.313	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-23.9	-179.8	58.3	0	0	0	0	113.3	L328 N396 S398 I420	L328-T422 WeakPolarHBondContact CD2-O 3.48Å; N396-T422 VanDerWaalsContact C-OG1 3.25Å; N396-T422 VanDerWaalsContact CB-OG1 3.25Å; N396-T422 WeakPolarHBondContact CB-OG1 3.46Å; N396-T422 PolarHBondContact O-N 2.83Å; N396-T422 PolarHBondContact O-OG1 3.42Å; S398-T422 WeakPolarHBondContact OG-CG2 3.3Å; I420-T422 PolarHBondContact O-N 3.13Å
423	R	89.2	Confident	84.7	Confident	166 Å²	166	44.2 Å²	44.2	63%	0.626	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144	151.2	175.5	-63.3	-175.3	178.4	179.9	-0.1	110.4	P394 S395 N396	P394-R423 CarbonylContact C-O 3.43Å; P394-R423 WeakPolarHBondContact CA-O 3.29Å; S395-R423 PolarHBondContact N-O 2.68Å; S395-R423 VanDerWaalsContact OG-CB 3.31Å; S395-R423 WeakPolarHBondContact OG-CB 3.06Å; S395-R423 PolarHBondContact OG-O 3.5Å; N396-R423 HydrophobicContact CB-CB 4.06Å; N396-R423 HydrophobicContact CB-CG 4.27Å; N396-R423 PolarHBondContact O-N 2.85Å
424	C	89.1	Confident	85.1	Confident	11 Å²	11	46 Å²	46	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	159.7	174.2	-60.7	0	0	0	0	110.8	A327 L328 C355 Y367 V393 S395	A327-C424 VanDerWaalsContact C-SG 3.52Å; A327-C424 PolarHBondContact O-SG 2.69Å; A327-C424 VanDerWaalsContact O-SG 3.37Å; L328-C424 WeakPolarHBondContact CA-SG 3.47Å; L328-C424 VanDerWaalsContact CB-SG 3.58Å; L328-C424 VanDerWaalsContact CD1-SG 3.57Å; C355-C424 WeakPolarHBondContact CA-SG 3.3Å; C355-C424 HydrophobicContact CB-CB 3.76Å; C355-C424 WeakPolarHBondContact CB-SG 3.19Å; C355-C424 WeakPolarHBondContact SG-CA 3.44Å; C355-C424 WeakPolarHBondContact SG-CB 3.5Å; C355-C424 CovalentContact SG-SG 2.03Å; C355-C424 PolarHBondContact SG-SG 3.42Å; Y367-C424 WeakPolarHBondContact CD1-O 3.31Å; Y367-C424 WeakPolarHBondContact CE1-O 3.38Å; V393-C424 CarbonylContact O-C 3.53Å; V393-C424 WeakPolarHBondContact O-CA 3.38Å; S395-C424 PolarHBondContact OG-O 3.26Å
425	T	86.8	Confident	85.8	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	164.9	175.1	-165.6	0	0	0	0	112.9	Y367 C392 V393 R427	Y367-T425 WeakPolarHBondContact CA-OG1 3.48Å; Y367-T425 WeakPolarHBondContact CB-OG1 3.35Å; Y367-T425 WeakPolarHBondContact CD1-OG1 3.04Å; Y367-T425 PolarHBondContact O-OG1 3.46Å; C392-T425 CarbonylContact C-O 3.52Å; C392-T425 WeakPolarHBondContact CA-O 3.35Å; V393-T425 HydrophobicContact CG2-CG2 3.87Å; V393-T425 PolarHBondContact N-O 3.47Å; V393-T425 PolarHBondContact O-N 3.43Å; V393-T425 VanDerWaalsContact O-O 3.13Å; T425-R427 HydrophobicContact CG2-CG 3.99Å
426	C	85.8	Confident	86.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.7	173.2	-72.6	0	0	0	0	110.3	C359 M363 T373 S391	C359-C426 WeakPolarHBondContact CA-SG 3.5Å; C359-C426 HydrophobicContact CB-CB 3.7Å; C359-C426 WeakPolarHBondContact CB-SG 3.35Å; C359-C426 VanDerWaalsContact SG-CA 3.58Å; C359-C426 WeakPolarHBondContact SG-CB 3.29Å; C359-C426 CovalentContact SG-SG 2.03Å; C359-C426 PolarHBondContact SG-SG 3.46Å; M363-C426 HydrophobicContact SD-CB 3.46Å; M363-C426 WeakPolarHBondContact SD-CB 3.34Å; T373-C426 HydrophobicContact CG2-CB 3.77Å; T373-C426 WeakPolarHBondContact CG2-O 3.37Å; T373-C426 PolarHBondContact OG1-O 3.21Å; S391-C426 WeakPolarHBondContact O-CA 3.4Å
427	R	84.9	Confident	87.4	Confident	173 Å²	173	52.7 Å²	52.7	65%	0.653	23%	0.234	S	C	*	.			trans	-140.4	0	179.4	-75.2	-161.2	179.3	-162.6	4.2	113.5	S391 V393 T425	S391-R427 PolarHBondContact N-O 3.43Å; S391-R427 PolarHBondContact O-N 3.38Å; V393-R427 HydrophobicContact CG2-CB 4.12Å; T425-R427 HydrophobicContact CG2-CG 3.99Å

Retrieved 427 of 427 residues in 209.6 ms (Link to these results)

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