A0A5K4F4F6_SCHMA Loading...

Cadherin EGF LAG seven-pass G-type receptor 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F4F6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 781 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	38.8	Very low	45	Very low	215 Å²	215	134.1 Å²	134.1	100%	1.059	72%	0.72	S	S	*	*				0	114	0	175.4	176.1	175.9	0	0	105.4
2	F	38	Very low	45.8	Very low	186 Å²	186	131 Å²	131	82%	0.816	70%	0.701	S	S	*	*			trans	58.8	145.8	-142.2	-45.7	-84.8	0	0	0	109.9
3	I	41.9	Very low	46.6	Very low	155 Å²	155	128.5 Å²	128.5	80%	0.795	69%	0.686	S	S	*	*			cis	-95.6	125.4	9.5	-65.6	150.7	0	0	0	110.6
4	N	43.8	Very low	47.2	Very low	168 Å²	168	127.8 Å²	127.8	90%	0.898	68%	0.68	S	S	*	*			trans	-131.8	53.6	177.5	-132.2	6.4	0	0	0	110.4
5	S	50.2	Low	47.6	Very low	103 Å²	103	126.9 Å²	126.9	72%	0.72	67%	0.674	S	S	*	*			trans	-162	110.4	169.4	-175.5	0	0	0	0	110.2
6	L	42.4	Very low	47.7	Very low	154 Å²	154	125.4 Å²	125.4	81%	0.806	67%	0.666	S	S	*	*			trans	-167.2	153.6	154.4	-108.6	160.1	0	0	0	109.8
7	C	44.5	Very low	48	Very low	76 Å²	76	124.1 Å²	124.1	51%	0.514	66%	0.658	S	S	.	*			trans	-65	151.4	-152.2	-166.6	0	0	0	0	115.7	L9 C10	C7-L9 PolarHBondContact O-N 3.3Å; C7-L9 VanDerWaalsContact O-N 3.11Å; C7-C10 PolarHBondContact O-N 3.08Å
8	S	50.2	Low	48.1	Very low	83 Å²	83	120.6 Å²	120.6	58%	0.58	65%	0.649	S	S	*	*	H	α-helix	trans	-56.5	-27	178.7	-160.9	0	0	0	0	114	C10 K11 I12	S8-C10 PolarHBondContact O-N 3.05Å; S8-K11 PolarHBondContact O-N 3.29Å; S8-I12 PolarHBondContact O-N 3.01Å
9	L	48.7	Very low	48.1	Very low	120 Å²	120	117.6 Å²	117.6	63%	0.628	64%	0.643	S	S	*	*	H	α-helix	trans	-65.1	-34.6	176.2	-83	74.5	0	0	0	112.7	C7 K11 I12 I13	C7-L9 PolarHBondContact O-N 3.3Å; C7-L9 VanDerWaalsContact O-N 3.11Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 3.13Å; L9-I12 PolarHBondContact O-N 3.36Å; L9-I13 PolarHBondContact O-N 3.46Å; L9-I13 VanDerWaalsContact O-N 3.09Å
10	C	49.5	Very low	47.8	Very low	68 Å²	68	118.6 Å²	118.6	46%	0.459	65%	0.646	S	S	.	*	H	α-helix	trans	-65.6	-34.1	177	-86.7	0	0	0	0	112.2	C7 S8 I12 I13 I14	C7-C10 PolarHBondContact O-N 3.08Å; S8-C10 PolarHBondContact O-N 3.05Å; C10-I12 VanDerWaalsContact C-N 3.33Å; C10-I13 PolarHBondContact O-N 3.01Å; C10-I14 WeakPolarHBondContact O-CG1 3.38Å; C10-I14 PolarHBondContact O-N 2.8Å
11	K	46.9	Very low	47.5	Very low	147 Å²	147	119.4 Å²	119.4	64%	0.639	65%	0.648	S	S	*	*	H	α-helix	trans	-65.2	-38.5	174.2	-69.9	-172.6	176	-177.1	0	111.5	S8 L9 I14 I15	S8-K11 PolarHBondContact O-N 3.29Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 3.13Å; K11-I14 PolarHBondContact O-N 2.88Å; K11-I15 WeakPolarHBondContact O-CB 3.38Å; K11-I15 WeakPolarHBondContact O-CD1 3.32Å; K11-I15 WeakPolarHBondContact O-CG1 3.16Å; K11-I15 PolarHBondContact O-N 2.84Å
12	I	55.2	Low	47.3	Very low	97 Å²	97	113.2 Å²	113.2	50%	0.497	62%	0.624	S	S	.	*	H	α-helix	trans	-65.8	-41.5	177.7	-65.3	169.5	0	0	0	111	S8 L9 C10 I15 L16	S8-I12 PolarHBondContact O-N 3.01Å; L9-I12 PolarHBondContact O-N 3.36Å; C10-I12 VanDerWaalsContact C-N 3.33Å; I12-I15 PolarHBondContact O-N 3.27Å; I12-L16 HydrophobicContact CG2-CD1 4.06Å; I12-L16 WeakPolarHBondContact O-CB 3.37Å; I12-L16 PolarHBondContact O-N 3.36Å
13	I	56.2	Low	47.1	Very low	99 Å²	99	113.6 Å²	113.6	51%	0.508	63%	0.625	S	S	.	*	H	α-helix	trans	-66.2	-43.6	176.9	-65.8	170.9	0	0	0	111.4	L9 C10 I15 L16 I17	L9-I13 PolarHBondContact O-N 3.46Å; L9-I13 VanDerWaalsContact O-N 3.09Å; C10-I13 PolarHBondContact O-N 3.01Å; I13-I15 VanDerWaalsContact C-N 3.34Å; I13-I15 PolarHBondContact O-N 3.2Å; I13-L16 PolarHBondContact O-N 2.97Å; I13-I17 HydrophobicContact CG2-CD1 3.92Å; I13-I17 WeakPolarHBondContact O-CG1 3.44Å; I13-I17 PolarHBondContact O-N 3.13Å
14	I	54.5	Low	46.9	Very low	118 Å²	118	111.8 Å²	111.8	61%	0.605	63%	0.625	S	S	*	*	H	α-helix	trans	-65.2	-38.1	176.9	-67.6	168.1	0	0	0	111.2	C10 K11 I17 A18	C10-I14 WeakPolarHBondContact O-CG1 3.38Å; C10-I14 PolarHBondContact O-N 2.8Å; K11-I14 PolarHBondContact O-N 2.88Å; I14-I17 PolarHBondContact O-N 2.91Å; I14-A18 WeakPolarHBondContact O-CB 3.23Å; I14-A18 PolarHBondContact O-N 3.23Å
15	I	53.3	Low	46.6	Very low	115 Å²	115	113.3 Å²	113.3	59%	0.59	62%	0.624	S	S	*	*	H	α-helix	trans	-68.7	-36.7	175.4	-70.8	166.2	0	0	0	111.4	K11 I12 I13 A18 A19	K11-I15 WeakPolarHBondContact O-CB 3.38Å; K11-I15 WeakPolarHBondContact O-CD1 3.32Å; K11-I15 WeakPolarHBondContact O-CG1 3.16Å; K11-I15 PolarHBondContact O-N 2.84Å; I12-I15 PolarHBondContact O-N 3.27Å; I13-I15 VanDerWaalsContact C-N 3.34Å; I13-I15 PolarHBondContact O-N 3.2Å; I15-A18 PolarHBondContact O-N 3.08Å; I15-A19 WeakPolarHBondContact O-CB 3.17Å; I15-A19 PolarHBondContact O-N 2.84Å
16	L	49.6	Very low	45.6	Very low	102 Å²	102	113.6 Å²	113.6	53%	0.534	63%	0.625	S	S	.	*	H	α-helix	trans	-66.2	-42.2	173.3	-87.9	161.9	0	0	0	112.3	I12 I13 A19 I20	I12-L16 HydrophobicContact CG2-CD1 4.06Å; I12-L16 WeakPolarHBondContact O-CB 3.37Å; I12-L16 PolarHBondContact O-N 3.36Å; I13-L16 PolarHBondContact O-N 2.97Å; L16-A19 PolarHBondContact O-N 2.9Å; L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.15Å; L16-I20 PolarHBondContact O-N 2.78Å
17	I	52.8	Low	45.4	Very low	104 Å²	104	113.7 Å²	113.7	53%	0.533	63%	0.625	S	S	.	*	H	α-helix	trans	-64.2	-42.4	175.1	-67.3	167.2	0	0	0	110.3	I13 I14 A19 I20 I21	I13-I17 HydrophobicContact CG2-CD1 3.92Å; I13-I17 WeakPolarHBondContact O-CG1 3.44Å; I13-I17 PolarHBondContact O-N 3.13Å; I14-I17 PolarHBondContact O-N 2.91Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 2.74Å; I17-I20 PolarHBondContact O-N 2.79Å; I17-I21 WeakPolarHBondContact O-CG1 3.39Å
18	A	48.9	Very low	45.1	Very low	60 Å²	60	116.3 Å²	116.3	50%	0.496	63%	0.632	S	S	.	*	H	α-helix	trans	-64.5	-34.9	173.8	0	0	0	0	0	113.1	I14 I15 I20 I21	I14-A18 WeakPolarHBondContact O-CB 3.23Å; I14-A18 PolarHBondContact O-N 3.23Å; I15-A18 PolarHBondContact O-N 3.08Å; A18-I20 VanDerWaalsContact C-N 3.25Å; A18-I20 PolarHBondContact O-N 3.18Å; A18-I21 PolarHBondContact O-N 3.2Å
19	A	48.1	Very low	44.7	Very low	64 Å²	64	113.8 Å²	113.8	53%	0.529	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.4	-5.4	177.9	0	0	0	0	0	114.4	I15 L16 I17 P22	I15-A19 WeakPolarHBondContact O-CB 3.17Å; I15-A19 PolarHBondContact O-N 2.84Å; L16-A19 PolarHBondContact O-N 2.9Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 2.74Å; A19-P22 WeakPolarHBondContact O-CD 3.41Å; A19-P22 WeakPolarHBondContact O-CG 3.32Å
20	I	42	Very low	44.6	Very low	138 Å²	138	110 Å²	110	71%	0.708	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-11.4	172.9	-68.6	164.3	0	0	0	111.7	L16 I17 A18	L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.15Å; L16-I20 PolarHBondContact O-N 2.78Å; I17-I20 PolarHBondContact O-N 2.79Å; A18-I20 VanDerWaalsContact C-N 3.25Å; A18-I20 PolarHBondContact O-N 3.18Å
21	I	42.9	Very low	44.7	Very low	135 Å²	135	109.4 Å²	109.4	69%	0.692	60%	0.597	S	S	*	*	S	Bend	trans	-84.3	-5.2	176.6	-56.6	167.1	0	0	0	115.6	I17 A18 K23	I17-I21 WeakPolarHBondContact O-CG1 3.39Å; A18-I21 PolarHBondContact O-N 3.2Å; I21-K23 PolarHBondContact O-N 3.23Å
22	P	33.3	Very low	45.3	Very low	86 Å²	86	102.6 Å²	102.6	56%	0.558	57%	0.568	S	S	*	*			trans	-92.8	88	177.1	36.1	-31.1	0	0	0	113.2	A19	A19-P22 WeakPolarHBondContact O-CD 3.41Å; A19-P22 WeakPolarHBondContact O-CG 3.32Å
23	K	34.9	Very low	45.6	Very low	194 Å²	194	103.2 Å²	103.2	84%	0.843	58%	0.577	S	S	*	*	S	Bend	trans	-167.5	-8.3	155.5	-111.2	151.3	-168.5	177.6	0	120.1	I21	I21-K23 PolarHBondContact O-N 3.23Å
24	C	36.4	Very low	46.2	Very low	117 Å²	117	102 Å²	102	79%	0.791	57%	0.571	S	S	*	*	S	Bend	trans	-101	1.6	-174.3	-68.9	0	0	0	0	116.7
25	F	37.1	Very low	47.4	Very low	200 Å²	200	97.1 Å²	97.1	88%	0.877	55%	0.546	S	S	*	.	S	Bend	trans	-113.7	50.5	177	-82.5	-75.9	0	0	0	112.4
26	C	29.9	Very low	48.9	Very low	108 Å²	108	93.8 Å²	93.8	73%	0.73	53%	0.532	S	S	*	.	S	Bend	trans	-135.3	145.5	168.7	-69.2	0	0	0	0	108
27	L	38.3	Very low	50.8	Low	156 Å²	156	96.5 Å²	96.5	82%	0.817	54%	0.542	S	S	*	.			trans	63.7	45.8	-175.1	-56.4	172.8	0	0	0	115.5
28	M	38.6	Very low	52.7	Low	132 Å²	132	92.7 Å²	92.7	65%	0.65	52%	0.524	S	S	*	.			trans	-100.3	104.9	148	-76.8	-167.8	161.9	0	0	108.4	T46	M28-T46 WeakPolarHBondContact CE-OG1 3.42Å
29	G	42.2	Very low	54.9	Low	29 Å²	29	92.8 Å²	92.8	30%	0.299	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-60.6	139.2	171.5	0	0	0	0	0	110
30	S	46	Very low	57.1	Low	42 Å²	42	91.5 Å²	91.5	29%	0.294	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-66.6	140.3	176.6	55.9	0	0	0	0	109.4	I505 R512	S30-I505 WeakPolarHBondContact OG-CD1 3.33Å; S30-I505 WeakPolarHBondContact OG-CG2 3.24Å; S30-R512 PolarHBondContact O-NH1 2.96Å; S30-R512 PolarHBondContact O-NH2 2.73Å; S30-R512 PolarHBondContact OG-NH2 3.29Å
31	P	52.3	Low	59.4	Low	54 Å²	54	90.4 Å²	90.4	35%	0.351	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-65.3	152.8	-160.2	27.5	-37.3	0	0	0	112.5	R44 Y51 R512	P31-R44 VanDerWaalsContact CB-CD 3.5Å; P31-Y51 HydrophobicContact CB-CD1 3.82Å; P31-Y51 HydrophobicContact CB-CE1 3.74Å; P31-R512 PolarHBondContact O-NH2 3.29Å
32	P	58.2	Low	61.8	Low	4 Å²	4	84.6 Å²	84.6	3%	0.026	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-62.8	144.6	-177.2	27.4	-36.4	0	0	0	111.4	N34 L35 R44 Y51 N388	P32-N34 PolarHBondContact O-N 3.17Å; P32-L35 HydrophobicContact CG-CD1 4.05Å; P32-L35 HydrophobicContact CG-CG 4.36Å; P32-R44 PolarHBondContact O-NH1 3.04Å; P32-R44 VanDerWaalsContact O-NH1 3.09Å; P32-Y51 VanDerWaalsContact CD-CE1 3.44Å; P32-Y51 HydrophobicContact CG-CD2 3.91Å; P32-Y51 HydrophobicContact CG-CE2 4.05Å; P32-Y51 HydrophobicContact CG-CG 4.17Å; P32-N388 WeakPolarHBondContact CB-ND2 3.39Å
33	T	61.7	Low	64.6	Low	111 Å²	111	85 Å²	85	68%	0.681	48%	0.48	S	S	*	.	S	Bend	trans	-68.8	-14.9	173.8	47.2	0	0	0	0	113.2
34	N	68.6	Low	67.2	Low	72 Å²	72	79.8 Å²	79.8	39%	0.385	46%	0.455	S	S	.	.	S	Bend	trans	-88.4	-36.7	-166.9	-54.8	-17.2	0	0	0	112.3	P32 D386 Y412	P32-N34 PolarHBondContact O-N 3.17Å; N34-D386 PolarHBondContact ND2-OD2 2.85Å; N34-Y412 PolarHBondContact O-OH 2.94Å
35	L	79.5	Confident	69.6	Low	17 Å²	17	76.6 Å²	76.6	9%	0.089	43%	0.431	C	S	.	.	S	Bend	trans	-74.3	141.1	175.4	-71.2	173.3	0	0	0	110.6	P32 R44 Y51 D406 L408	P32-L35 HydrophobicContact CG-CD1 4.05Å; P32-L35 HydrophobicContact CG-CG 4.36Å; L35-R44 PolarHBondContact O-NH2 2.78Å; L35-Y51 HydrophobicContact CD1-CD2 4.46Å; L35-Y51 HydrophobicContact CD1-CG 4.37Å; L35-D406 HydrophobicContact CD2-CB 4.45Å; L35-L408 HydrophobicContact CD2-CD1 4.01Å
36	P	86.4	Confident	71.6	Confident	44 Å²	44	69.1 Å²	69.1	29%	0.286	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-67.8	163.1	-177.8	30	-36.6	0	0	0	112.9	R44 Q63 L408	P36-R44 PolarHBondContact O-NH2 3.06Å; P36-Q63 HydrophobicContact CG-CG 4.32Å; P36-L408 HydrophobicContact CG-CD1 3.74Å; P36-L408 HydrophobicContact CG-CD2 3.98Å
37	E	89.6	Confident	73.9	Confident	159 Å²	159	67 Å²	67	74%	0.743	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-70	154.4	175.7	-63.5	-172	163.6	0	0	112.2	Q63	E37-Q63 WeakPolarHBondContact O-CG 3.44Å; E37-Q63 PolarHBondContact O-NE2 3.16Å
38	C	92.5	Very high	75.6	Confident	25 Å²	25	63.4 Å²	63.4	17%	0.169	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-74.2	128.3	175.4	-57.8	0	0	0	0	110	G42 R44 C53	C38-G42 WeakPolarHBondContact CB-O 3.39Å; C38-R44 VanDerWaalsContact SG-CA 3.52Å; C38-C53 WeakPolarHBondContact CA-SG 3.35Å; C38-C53 HydrophobicContact CB-CB 3.73Å; C38-C53 WeakPolarHBondContact CB-SG 3.38Å; C38-C53 WeakPolarHBondContact SG-CB 3.19Å; C38-C53 CovalentContact SG-SG 2.03Å; C38-C53 PolarHBondContact SG-SG 3.46Å
39	L	93.8	Very high	77.4	Confident	62 Å²	62	61.9 Å²	61.9	33%	0.325	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-84.7	173.6	179.9	-57.4	177.1	0	0	0	111	S41 G42 Q63 C64 K65	L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 2.97Å; L39-S41 VanDerWaalsContact O-N 3.1Å; L39-G42 PolarHBondContact O-N 3.04Å; L39-Q63 WeakPolarHBondContact CB-O 3.36Å; L39-Q63 HydrophobicContact CG-CG 4.4Å; L39-Q63 PolarHBondContact N-O 3.25Å; L39-C64 VanDerWaalsContact O-CB 3.3Å; L39-C64 WeakPolarHBondContact O-CB 3.33Å; L39-K65 HydrophobicContact CD1-CD 4.35Å; L39-K65 HydrophobicContact CD1-CG 3.71Å
40	N	94.1	Very high	79.3	Confident	36 Å²	36	61 Å²	61	19%	0.193	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	38.2	166.9	-59.8	-35	0	0	0	115.7	G42 M60 C64 D244 Y246	N40-G42 PolarHBondContact O-N 2.94Å; N40-M60 HydrophobicContact CB-CE 3.92Å; N40-C64 PolarHBondContact ND2-O 3.47Å; N40-D244 PolarHBondContact ND2-OD2 2.96Å; N40-Y246 HydrophobicContact CB-CD1 3.61Å; N40-Y246 HydrophobicContact CB-CE1 3.74Å; N40-Y246 HydrophobicContact CB-CG 4.27Å; N40-Y246 VanDerWaalsContact OD1-CD1 3.28Å; N40-Y246 WeakPolarHBondContact OD1-CD1 3.37Å
41	S	92	Very high	80.9	Confident	116 Å²	116	60.6 Å²	60.6	81%	0.811	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	18.5	-175.3	-48.9	0	0	0	0	115.2	L39	L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 2.97Å; L39-S41 VanDerWaalsContact O-N 3.1Å
42	G	91.8	Very high	82.5	Confident	13 Å²	13	58.9 Å²	58.9	13%	0.134	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-61.5	139.6	170	0	0	0	0	0	111.9	C38 L39 N40 S54	C38-G42 WeakPolarHBondContact CB-O 3.39Å; L39-G42 PolarHBondContact O-N 3.04Å; N40-G42 PolarHBondContact O-N 2.94Å; G42-S54 CarbonylContact C-O 3.49Å; G42-S54 VanDerWaalsContact CA-O 3.31Å; G42-S54 WeakPolarHBondContact CA-O 3.42Å
43	T	92.3	Very high	84.1	Confident	95 Å²	95	59.9 Å²	59.9	58%	0.583	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	128	177.9	-62.1	0	0	0	0	109.7	T45 C53 S54	T43-T45 PolarHBondContact O-N 3.38Å; T43-C53 CarbonylContact O-C 3.53Å; T43-C53 WeakPolarHBondContact O-CA 3.26Å; T43-S54 PolarHBondContact N-O 3.28Å; T43-S54 PolarHBondContact O-N 3.38Å
44	R	89	Confident	85.6	Confident	84 Å²	84	57.9 Å²	57.9	32%	0.317	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.6	178.2	-172.7	178.4	-85.1	-164.4	-12.1	110.6	P31 P32 L35 P36 C38 G52	P31-R44 VanDerWaalsContact CB-CD 3.5Å; P32-R44 PolarHBondContact O-NH1 3.04Å; P32-R44 VanDerWaalsContact O-NH1 3.09Å; L35-R44 PolarHBondContact O-NH2 2.78Å; P36-R44 PolarHBondContact O-NH2 3.06Å; C38-R44 VanDerWaalsContact SG-CA 3.52Å; R44-G52 WeakPolarHBondContact CA-O 3.46Å
45	T	87.7	Confident	86.7	Confident	49 Å²	49	56.3 Å²	56.3	30%	0.301	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.8	-175.9	48.7	0	0	0	0	112.5	T43 G52	T43-T45 PolarHBondContact O-N 3.38Å; T45-G52 PolarHBondContact N-O 3.03Å; T45-G52 PolarHBondContact O-N 3Å
46	T	80.1	Confident	87.3	Confident	44 Å²	44	61 Å²	61	27%	0.27	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.4	171.4	38.5	0	0	0	0	109.8	M28 R50 Y51	M28-T46 WeakPolarHBondContact CE-OG1 3.42Å; T46-R50 WeakPolarHBondContact CA-O 3.3Å; T46-Y51 HydrophobicContact CG2-CD1 3.34Å; T46-Y51 HydrophobicContact CG2-CE1 3.22Å; T46-Y51 HydrophobicContact CG2-CG 4.28Å
47	V	76.7	Confident	87.4	Confident	62 Å²	62	60.3 Å²	60.3	38%	0.376	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122	177.2	-179	0	0	0	0	107.3	E49 R50	V47-E49 PolarHBondContact O-N 3.16Å; V47-R50 PolarHBondContact N-O 2.74Å; V47-R50 WeakPolarHBondContact O-CA 3.37Å; V47-R50 VanDerWaalsContact O-CB 3.28Å; V47-R50 WeakPolarHBondContact O-CB 3.06Å; V47-R50 PolarHBondContact O-N 3.33Å
48	N	74.6	Confident	87.2	Confident	82 Å²	82	58.2 Å²	58.2	44%	0.439	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	42.5	-178.9	-54.5	-20.5	0	0	0	113.2	R50 V315	N48-R50 PolarHBondContact O-N 3.26Å; N48-R50 VanDerWaalsContact O-N 3.09Å; N48-V315 WeakPolarHBondContact ND2-CG1 3.34Å
49	E	75.9	Confident	86.9	Confident	100 Å²	100	60.7 Å²	60.7	47%	0.467	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	8.6	-173.6	-54.9	-176.8	-154.2	0	0	115.9	V47 R343	V47-E49 PolarHBondContact O-N 3.16Å; E49-R343 IonicContact OE2-CZ 2.75Å; E49-R343 IonicContact OE2-NH1 3.49Å; E49-R343 PolarHBondContact OE2-NH1 3.02Å; E49-R343 IonicContact OE2-NH2 3.29Å; E49-R343 PolarHBondContact OE2-NH2 2.53Å
50	R	82	Confident	86.8	Confident	11 Å²	11	58.8 Å²	58.8	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.6	170	-60.5	167.9	166.6	-87.5	5.7	109.6	T46 V47 N48 S341 W389 D442	T46-R50 WeakPolarHBondContact CA-O 3.3Å; V47-R50 PolarHBondContact N-O 2.74Å; V47-R50 WeakPolarHBondContact O-CA 3.37Å; V47-R50 VanDerWaalsContact O-CB 3.28Å; V47-R50 WeakPolarHBondContact O-CB 3.06Å; V47-R50 PolarHBondContact O-N 3.33Å; N48-R50 PolarHBondContact O-N 3.26Å; N48-R50 VanDerWaalsContact O-N 3.09Å; R50-S341 PolarHBondContact NH1-OG 3.09Å; R50-S341 PolarHBondContact NH2-OG 2.79Å; R50-W389 HydrophobicContact CG-CB 3.91Å; R50-W389 VanDerWaalsContact CG-CD1 3.46Å; R50-W389 HydrophobicContact CG-CG 3.78Å; R50-D442 IonicContact CZ-OD2 3.57Å; R50-D442 IonicContact NE-OD2 2.71Å; R50-D442 IonicContact NH2-OD2 2.73Å; R50-D442 PolarHBondContact NH2-OD2 2.83Å
51	Y	81.3	Confident	86.7	Confident	33 Å²	33	58.5 Å²	58.5	13%	0.129	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	141.5	176.7	-61.9	-84.6	0	0	0	111.1	P31 P32 L35 T46 R62 N388	P31-Y51 HydrophobicContact CB-CD1 3.82Å; P31-Y51 HydrophobicContact CB-CE1 3.74Å; P32-Y51 VanDerWaalsContact CD-CE1 3.44Å; P32-Y51 HydrophobicContact CG-CD2 3.91Å; P32-Y51 HydrophobicContact CG-CE2 4.05Å; P32-Y51 HydrophobicContact CG-CG 4.17Å; L35-Y51 HydrophobicContact CD1-CD2 4.46Å; L35-Y51 HydrophobicContact CD1-CG 4.37Å; T46-Y51 HydrophobicContact CG2-CD1 3.34Å; T46-Y51 HydrophobicContact CG2-CE1 3.22Å; T46-Y51 HydrophobicContact CG2-CG 4.28Å; Y51-R62 PolarHBondContact O-NE 2.73Å; Y51-R62 PolarHBondContact O-NH2 3.06Å; Y51-N388 WeakPolarHBondContact CE2-OD1 3.36Å
52	G	85.6	Confident	86.5	Confident	18 Å²	18	54.7 Å²	54.7	19%	0.186	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	-161.8	176.3	0	0	0	0	0	111.8	R44 T45	R44-G52 WeakPolarHBondContact CA-O 3.46Å; T45-G52 PolarHBondContact N-O 3.03Å; T45-G52 PolarHBondContact O-N 3Å
53	C	91	Very high	86.5	Confident	24 Å²	24	55 Å²	55	16%	0.162	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132	179.5	-58.6	0	0	0	0	110.5	C38 T43 C55 R62 C64	C38-C53 WeakPolarHBondContact CA-SG 3.35Å; C38-C53 HydrophobicContact CB-CB 3.73Å; C38-C53 WeakPolarHBondContact CB-SG 3.38Å; C38-C53 WeakPolarHBondContact SG-CB 3.19Å; C38-C53 CovalentContact SG-SG 2.03Å; C38-C53 PolarHBondContact SG-SG 3.46Å; T43-C53 CarbonylContact O-C 3.53Å; T43-C53 WeakPolarHBondContact O-CA 3.26Å; C53-C55 PolarHBondContact O-N 3.5Å; C53-R62 WeakPolarHBondContact CB-O 3.29Å; C53-R62 PolarHBondContact SG-O 3.31Å; C53-R62 VanDerWaalsContact SG-O 3.36Å; C53-C64 WeakPolarHBondContact CB-SG 3.35Å
54	S	92.2	Very high	86.6	Confident	70 Å²	70	50.5 Å²	50.5	49%	0.49	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.6	163.6	-178.4	0	0	0	0	108.7	G42 T43	G42-S54 CarbonylContact C-O 3.49Å; G42-S54 VanDerWaalsContact CA-O 3.31Å; G42-S54 WeakPolarHBondContact CA-O 3.42Å; T43-S54 PolarHBondContact N-O 3.28Å; T43-S54 PolarHBondContact O-N 3.38Å
55	C	92.4	Very high	86.9	Confident	38 Å²	38	46.7 Å²	46.7	26%	0.257	26%	0.262	S	S	.	.			trans	-93.2	160.8	-176	-52.8	0	0	0	0	112.6	C53 D57 M60 C64	C53-C55 PolarHBondContact O-N 3.5Å; C55-D57 VanDerWaalsContact C-N 3.34Å; C55-M60 HydrophobicContact CB-CB 3.94Å; C55-M60 HydrophobicContact CB-CG 4.44Å; C55-M60 HydrophobicContact CB-SD 3.74Å; C55-C64 WeakPolarHBondContact CA-SG 3.38Å; C55-C64 HydrophobicContact CB-CB 3.83Å; C55-C64 WeakPolarHBondContact CB-SG 3.28Å; C55-C64 WeakPolarHBondContact SG-CA 3.41Å; C55-C64 WeakPolarHBondContact SG-CB 3.47Å; C55-C64 CovalentContact SG-SG 2.04Å; C55-C64 PolarHBondContact SG-SG 2.63Å
56	I	91.9	Very high	87.2	Confident	117 Å²	117	44.4 Å²	44.4	60%	0.6	25%	0.247	S	C	*	.	S	Bend	trans	-77.7	-19.1	179	-168.2	167.7	0	0	0	113.3	M60 Y246	I56-M60 HydrophobicContact CG2-CE 3.83Å; I56-M60 HydrophobicContact CG2-SD 4.04Å; I56-Y246 HydrophobicContact CG2-CE2 4.32Å
57	D	87.9	Confident	87.9	Confident	28 Å²	28	42.9 Å²	42.9	15%	0.15	24%	0.238	C	C	.	.	S	Bend	trans	-137.9	130.9	-171.9	-168.5	-41.2	0	0	0	108.9	C55 Y59 M60 R256	C55-D57 VanDerWaalsContact C-N 3.34Å; D57-Y59 PolarHBondContact O-N 3.16Å; D57-Y59 WeakPolarHBondContact OD1-CD2 3.34Å; D57-Y59 PolarHBondContact OD1-N 3.26Å; D57-Y59 VanDerWaalsContact OD1-N 3.13Å; D57-M60 HydrophobicContact CB-CE 4.13Å; D57-M60 HydrophobicContact CB-CG 4.08Å; D57-M60 HydrophobicContact CB-SD 4.04Å; D57-M60 WeakPolarHBondContact O-CB 3.18Å; D57-M60 WeakPolarHBondContact O-CG 3.49Å; D57-M60 PolarHBondContact O-N 2.96Å; D57-R256 WeakPolarHBondContact OD2-CD 3.42Å; D57-R256 IonicContact OD2-CZ 2.73Å; D57-R256 IonicContact OD2-NE 3.95Å; D57-R256 IonicContact OD2-NH1 3.01Å; D57-R256 PolarHBondContact OD2-NH1 3.29Å
58	S	86.4	Confident	88.6	Confident	116 Å²	116	40.4 Å²	40.4	81%	0.811	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.8	-175	53.7	0	0	0	0	114.2	M60	S58-M60 VanDerWaalsContact C-N 3.33Å
59	Y	87.2	Confident	89.5	Confident	77 Å²	77	36.5 Å²	36.5	30%	0.302	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1.7	172.6	-64.7	-61	0	0	0	114	D57 R256 G257	D57-Y59 PolarHBondContact O-N 3.16Å; D57-Y59 WeakPolarHBondContact OD1-CD2 3.34Å; D57-Y59 PolarHBondContact OD1-N 3.26Å; D57-Y59 VanDerWaalsContact OD1-N 3.13Å; Y59-R256 HydrophobicContact CD2-CB 4.19Å; Y59-R256 WeakPolarHBondContact CE2-O 3.18Å; Y59-G257 VanDerWaalsContact CD1-CA 3.46Å
60	M	91.2	Very high	90.3	Very high	22 Å²	22	32.4 Å²	32.4	11%	0.108	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-85.3	152.3	178.5	-64.6	175.8	161.8	0	0	113.1	N40 C55 I56 D57 S58 C64 K65 L66 Y246	N40-M60 HydrophobicContact CB-CE 3.92Å; C55-M60 HydrophobicContact CB-CB 3.94Å; C55-M60 HydrophobicContact CB-CG 4.44Å; C55-M60 HydrophobicContact CB-SD 3.74Å; I56-M60 HydrophobicContact CG2-CE 3.83Å; I56-M60 HydrophobicContact CG2-SD 4.04Å; D57-M60 HydrophobicContact CB-CE 4.13Å; D57-M60 HydrophobicContact CB-CG 4.08Å; D57-M60 HydrophobicContact CB-SD 4.04Å; D57-M60 WeakPolarHBondContact O-CB 3.18Å; D57-M60 WeakPolarHBondContact O-CG 3.49Å; D57-M60 PolarHBondContact O-N 2.96Å; S58-M60 VanDerWaalsContact C-N 3.33Å; M60-C64 HydrophobicContact SD-CB 3.98Å; M60-C64 VanDerWaalsContact SD-O 3.38Å; M60-K65 CarbonylContact C-O 3.5Å; M60-K65 WeakPolarHBondContact CA-O 3.24Å; M60-L66 HydrophobicContact CG-CB 4.42Å; M60-Y246 HydrophobicContact CE-CD1 4.14Å; M60-Y246 HydrophobicContact CE-CD2 3.15Å; M60-Y246 HydrophobicContact CE-CE1 4.28Å; M60-Y246 HydrophobicContact CE-CE2 3.34Å; M60-Y246 HydrophobicContact CE-CG 3.57Å
61	N	90.6	Very high	90.6	Very high	30 Å²	30	32 Å²	32	16%	0.16	18%	0.182	C	C	.	.			trans	-78.9	-179	175.1	84.4	-19.7	0	0	0	112.9	Q63 C64 K65 L67	N61-Q63 PolarHBondContact O-N 2.75Å; N61-Q63 PolarHBondContact OD1-N 3.26Å; N61-C64 WeakPolarHBondContact O-CA 3.45Å; N61-C64 PolarHBondContact O-N 3.13Å; N61-C64 PolarHBondContact OD1-N 2.91Å; N61-K65 PolarHBondContact N-O 3.09Å; N61-K65 WeakPolarHBondContact OD1-CB 3.34Å; N61-K65 PolarHBondContact OD1-N 3.19Å; N61-L67 HydrophobicContact CB-CD1 3.8Å; N61-L67 HydrophobicContact CB-CG 4.26Å
62	R	88.4	Confident	90.4	Very high	35 Å²	35	32.4 Å²	32.4	13%	0.132	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-22.9	178.3	-169.6	-179.5	176.7	-164	-0.2	115.2	Y51 C53 D406	Y51-R62 PolarHBondContact O-NE 2.73Å; Y51-R62 PolarHBondContact O-NH2 3.06Å; C53-R62 WeakPolarHBondContact CB-O 3.29Å; C53-R62 PolarHBondContact SG-O 3.31Å; C53-R62 VanDerWaalsContact SG-O 3.36Å; R62-D406 WeakPolarHBondContact CD-O 3.28Å; R62-D406 IonicContact CZ-OD1 3.27Å; R62-D406 VanDerWaalsContact NH1-C 3.33Å; R62-D406 VanDerWaalsContact NH1-CA 3.3Å; R62-D406 VanDerWaalsContact NH1-CB 3.32Å; R62-D406 PolarHBondContact NH1-O 2.82Å; R62-D406 IonicContact NH1-OD1 2.67Å; R62-D406 PolarHBondContact NH1-OD1 3.15Å; R62-D406 IonicContact NH2-OD1 3.29Å; R62-D406 PolarHBondContact NH2-OD1 3.45Å
63	Q	91.7	Very high	89.9	Confident	20 Å²	20	36.4 Å²	36.4	9%	0.093	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	7.1	176.1	-149.7	-154.8	-12	0	0	113.6	P36 E37 L39 N61 L408	P36-Q63 HydrophobicContact CG-CG 4.32Å; E37-Q63 WeakPolarHBondContact O-CG 3.44Å; E37-Q63 PolarHBondContact O-NE2 3.16Å; L39-Q63 WeakPolarHBondContact CB-O 3.36Å; L39-Q63 HydrophobicContact CG-CG 4.4Å; L39-Q63 PolarHBondContact N-O 3.25Å; N61-Q63 PolarHBondContact O-N 2.75Å; N61-Q63 PolarHBondContact OD1-N 3.26Å; Q63-L408 HydrophobicContact CB-CD2 3.97Å; Q63-L408 HydrophobicContact CG-CD2 4.16Å
64	C	94.8	Very high	89.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	65.8	26.3	-173.5	-53.3	0	0	0	0	116.7	L39 N40 C53 C55 M60 N61	L39-C64 VanDerWaalsContact O-CB 3.3Å; L39-C64 WeakPolarHBondContact O-CB 3.33Å; N40-C64 PolarHBondContact ND2-O 3.47Å; C53-C64 WeakPolarHBondContact CB-SG 3.35Å; C55-C64 WeakPolarHBondContact CA-SG 3.38Å; C55-C64 HydrophobicContact CB-CB 3.83Å; C55-C64 WeakPolarHBondContact CB-SG 3.28Å; C55-C64 WeakPolarHBondContact SG-CA 3.41Å; C55-C64 WeakPolarHBondContact SG-CB 3.47Å; C55-C64 CovalentContact SG-SG 2.04Å; C55-C64 PolarHBondContact SG-SG 2.63Å; M60-C64 HydrophobicContact SD-CB 3.98Å; M60-C64 VanDerWaalsContact SD-O 3.38Å; N61-C64 WeakPolarHBondContact O-CA 3.45Å; N61-C64 PolarHBondContact O-N 3.13Å; N61-C64 PolarHBondContact OD1-N 2.91Å
65	K	95	Very high	89.1	Confident	5 Å²	5	37.1 Å²	37.1	2%	0.022	21%	0.211	C	C	.	.			trans	-78.8	138	165.9	-62.9	-177.4	171.9	-174.1	0	110.5	L39 M60 N61 L67 L242 D244 D409	L39-K65 HydrophobicContact CD1-CD 4.35Å; L39-K65 HydrophobicContact CD1-CG 3.71Å; M60-K65 CarbonylContact C-O 3.5Å; M60-K65 WeakPolarHBondContact CA-O 3.24Å; N61-K65 PolarHBondContact N-O 3.09Å; N61-K65 WeakPolarHBondContact OD1-CB 3.34Å; N61-K65 PolarHBondContact OD1-N 3.19Å; K65-L67 HydrophobicContact CB-CD2 3.77Å; K65-L67 HydrophobicContact CB-CG 4.34Å; K65-L67 HydrophobicContact CD-CD2 4.3Å; K65-L67 PolarHBondContact O-N 2.95Å; K65-L242 HydrophobicContact CD-CB 4.4Å; K65-L242 PolarHBondContact NZ-O 3.1Å; K65-L242 VanDerWaalsContact NZ-O 3.09Å; K65-D244 HydrophobicContact CB-CB 4.05Å; K65-D244 HydrophobicContact CD-CB 4.36Å; K65-D244 HydrophobicContact CG-CB 4.06Å; K65-D409 IonicContact NZ-OD1 2.64Å; K65-D409 PolarHBondContact NZ-OD1 2.78Å; K65-D409 IonicContact NZ-OD2 2.74Å; K65-D409 PolarHBondContact NZ-OD2 3.31Å
66	L	94.7	Very high	88.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-85.5	106.2	168.5	177.7	71.3	0	0	0	109.4	M60 D244 F245 L249 R256	M60-L66 HydrophobicContact CG-CB 4.42Å; L66-D244 PolarHBondContact N-OD1 3.14Å; L66-F245 HydrophobicContact CD2-CB 4.24Å; L66-F245 HydrophobicContact CG-CB 4.49Å; L66-F245 PolarHBondContact O-N 2.99Å; L66-L249 HydrophobicContact CD2-CB 4.26Å; L66-L249 HydrophobicContact CD2-CD1 4Å; L66-R256 HydrophobicContact CD1-CB 4Å; L66-R256 HydrophobicContact CD1-CG 4.46Å; L66-R256 HydrophobicContact CD2-CB 4.02Å; L66-R256 HydrophobicContact CD2-CG 3.64Å
67	L	93.7	Very high	88.7	Confident	12 Å²	12	33.5 Å²	33.5	6%	0.063	19%	0.188	C	C	.	.			trans	-97.2	-29.5	-176.5	-55.8	-176.4	0	0	0	113.7	N61 K65 S235 L242 I243	N61-L67 HydrophobicContact CB-CD1 3.8Å; N61-L67 HydrophobicContact CB-CG 4.26Å; K65-L67 HydrophobicContact CB-CD2 3.77Å; K65-L67 HydrophobicContact CB-CG 4.34Å; K65-L67 HydrophobicContact CD-CD2 4.3Å; K65-L67 PolarHBondContact O-N 2.95Å; L67-S235 PolarHBondContact O-N 3.15Å; L67-L242 HydrophobicContact CD1-CD1 3.94Å; L67-L242 HydrophobicContact CD1-CD2 4.47Å; L67-L242 HydrophobicContact CD2-CB 3.91Å; L67-L242 HydrophobicContact CD2-CD1 4.45Å; L67-L242 HydrophobicContact CD2-CD2 4.49Å; L67-I243 WeakPolarHBondContact CD2-O 3.49Å
68	S	92.4	Very high	88.8	Confident	10 Å²	10	33 Å²	33	7%	0.07	19%	0.185	C	C	.	.			trans	-102.5	138.3	-177.2	-174.3	0	0	0	0	112.5	F233 G257	S68-F233 WeakPolarHBondContact CA-O 3.25Å; S68-F233 WeakPolarHBondContact CB-O 3.31Å; S68-F233 PolarHBondContact OG-O 3.17Å; S68-G257 WeakPolarHBondContact O-CA 3.29Å; S68-G257 PolarHBondContact O-N 2.74Å
69	I	93.4	Very high	88.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.6	-172.3	64.2	-169.1	0	0	0	112.1	V71 I76 I218 C232 F233 F245 L249 R255 G257	I69-V71 HydrophobicContact CG1-CG2 4.44Å; I69-I76 HydrophobicContact CB-CD1 4.23Å; I69-I76 HydrophobicContact CD1-CD1 3.83Å; I69-I76 HydrophobicContact CG1-CD1 4.3Å; I69-I218 HydrophobicContact CD1-CG1 4.32Å; I69-I218 HydrophobicContact CD1-CG2 4.44Å; I69-C232 WeakPolarHBondContact O-CA 3.45Å; I69-C232 VanDerWaalsContact O-CB 3.29Å; I69-C232 WeakPolarHBondContact O-CB 3.35Å; I69-F233 HydrophobicContact CD1-CB 4.28Å; I69-F233 HydrophobicContact CG1-CB 3.97Å; I69-F233 PolarHBondContact N-O 2.8Å; I69-F233 PolarHBondContact O-N 2.78Å; I69-F245 HydrophobicContact CD1-CD1 3.82Å; I69-F245 HydrophobicContact CD1-CD2 4Å; I69-F245 HydrophobicContact CD1-CE1 3.63Å; I69-F245 HydrophobicContact CD1-CE2 3.82Å; I69-F245 HydrophobicContact CD1-CG 4.01Å; I69-F245 HydrophobicContact CD1-CZ 3.63Å; I69-F245 HydrophobicContact CG2-CB 3.59Å; I69-F245 HydrophobicContact CG2-CD1 4.26Å; I69-F245 HydrophobicContact CG2-CD2 3.69Å; I69-F245 HydrophobicContact CG2-CE2 4.46Å; I69-F245 HydrophobicContact CG2-CG 3.57Å; I69-L249 HydrophobicContact CB-CD1 4.2Å; I69-L249 HydrophobicContact CG2-CD1 3.51Å; I69-R255 CarbonylContact C-O 3.52Å; I69-R255 VanDerWaalsContact CA-O 3.31Å; I69-R255 WeakPolarHBondContact CA-O 3.06Å; I69-G257 CarbonylContact C-O 3.57Å
70	N	91.9	Very high	89	Confident	15 Å²	15	29.3 Å²	29.3	8%	0.08	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121	173.6	-169.2	-24.2	0	0	0	110.8	A72 R255 G257 D260	N70-A72 PolarHBondContact O-N 3.32Å; N70-A72 PolarHBondContact OD1-N 3.46Å; N70-R255 PolarHBondContact N-O 3.13Å; N70-R255 PolarHBondContact O-NE 2.66Å; N70-R255 VanDerWaalsContact O-NE 3.13Å; N70-R255 PolarHBondContact O-NH2 3.38Å; N70-G257 PolarHBondContact N-O 3.34Å; N70-G257 VanDerWaalsContact N-O 3.13Å; N70-D260 PolarHBondContact ND2-OD2 2.72Å
71	V	88.7	Confident	88.9	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	82.4	177.2	-170.3	0	0	0	0	107.9	I69 I218 F229 R230 G231 F233	I69-V71 HydrophobicContact CG1-CG2 4.44Å; V71-I218 HydrophobicContact CG2-CG2 3.65Å; V71-F229 HydrophobicContact CB-CD1 4.05Å; V71-F229 HydrophobicContact CB-CE1 4.29Å; V71-F229 HydrophobicContact CG1-CD1 4.04Å; V71-R230 WeakPolarHBondContact O-CA 3.33Å; V71-G231 CarbonylContact C-O 3.36Å; V71-G231 WeakPolarHBondContact CA-O 3.48Å; V71-G231 WeakPolarHBondContact CB-O 3.42Å; V71-G231 PolarHBondContact N-O 2.83Å; V71-G231 PolarHBondContact O-N 3.18Å; V71-G231 VanDerWaalsContact O-N 3.12Å; V71-F233 HydrophobicContact CG2-CD2 3.65Å; V71-F233 HydrophobicContact CG2-CE2 3.83Å
72	A	77.6	Confident	88.7	Confident	43 Å²	43	34.3 Å²	34.3	36%	0.355	20%	0.2	S	C	.	.			trans	-79.3	-155.8	167.9	0	0	0	0	0	110.4	N70 T74	N70-A72 PolarHBondContact O-N 3.32Å; N70-A72 PolarHBondContact OD1-N 3.46Å; A72-T74 PolarHBondContact O-N 3.03Å
73	N	74	Confident	88.7	Confident	101 Å²	101	34.3 Å²	34.3	54%	0.54	20%	0.2	S	C	.	.	S	Bend	trans	-66.8	11.4	-170.2	-56.1	-24.1	0	0	0	116.3	R228 R230	N73-R228 WeakPolarHBondContact O-CD 3.16Å; N73-R228 PolarHBondContact O-NH1 2.63Å; N73-R230 PolarHBondContact OD1-NH2 2.98Å; N73-R230 VanDerWaalsContact OD1-NH2 3.1Å
74	T	81.3	Confident	88.5	Confident	70 Å²	70	40.2 Å²	40.2	43%	0.429	22%	0.223	S	C	.	.	S	Bend	trans	-136.3	143.2	177	50.4	0	0	0	0	111.1	A72 R255	A72-T74 PolarHBondContact O-N 3.03Å; T74-R255 PolarHBondContact O-NH1 2.77Å; T74-R255 PolarHBondContact O-NH2 3.1Å; T74-R255 PolarHBondContact OG1-NH1 3.15Å
75	P	86.3	Confident	88	Confident	40 Å²	40	40.2 Å²	40.2	26%	0.26	22%	0.223	S	C	.	.			trans	-64.8	170.8	174.8	25.7	-33.3	0	0	0	112.5	I218 D220 R255	P75-I218 CarbonylContact C-O 3.56Å; P75-I218 WeakPolarHBondContact CA-O 3.42Å; P75-I218 WeakPolarHBondContact CB-O 3.37Å; P75-D220 HydrophobicContact CB-CB 4.09Å; P75-R255 PolarHBondContact O-NH1 2.86Å
76	I	88.5	Confident	87.3	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.4	162.6	-63.5	166.6	0	0	0	106.2	I69 L217 I218 F245 V248 L249 R255	I69-I76 HydrophobicContact CB-CD1 4.23Å; I69-I76 HydrophobicContact CD1-CD1 3.83Å; I69-I76 HydrophobicContact CG1-CD1 4.3Å; I76-L217 CarbonylContact O-C 3.53Å; I76-L217 VanDerWaalsContact O-CA 3.32Å; I76-L217 WeakPolarHBondContact O-CA 3.32Å; I76-I218 HydrophobicContact CB-CB 4.33Å; I76-I218 PolarHBondContact N-O 2.91Å; I76-I218 PolarHBondContact O-N 2.86Å; I76-F245 HydrophobicContact CG2-CD1 4.4Å; I76-V248 HydrophobicContact CG2-CG2 4.15Å; I76-L249 HydrophobicContact CD1-CD1 4.35Å; I76-L249 HydrophobicContact CD1-CD2 4.16Å; I76-L249 HydrophobicContact CG1-CD2 4.39Å; I76-R255 VanDerWaalsContact CG1-CZ 3.43Å
77	E	87.5	Confident	86.6	Confident	72 Å²	72	42 Å²	42	34%	0.336	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138.7	165.7	-60.3	-152.1	179.2	0	0	109.5	R114 T119 I216 L217	E77-R114 VanDerWaalsContact CD-NH2 3.29Å; E77-R114 IonicContact OE1-NH2 2.84Å; E77-R114 PolarHBondContact OE1-NH2 3.06Å; E77-R114 VanDerWaalsContact OE1-NH2 3.08Å; E77-R114 IonicContact OE2-NH2 2.83Å; E77-R114 PolarHBondContact OE2-NH2 2.67Å; E77-T119 WeakPolarHBondContact OE1-CG2 3.03Å; E77-I216 WeakPolarHBondContact CA-O 3.45Å; E77-L217 HydrophobicContact CG-CD2 3.78Å; E77-L217 HydrophobicContact CG-CG 3.9Å; E77-L217 WeakPolarHBondContact OE1-CD2 3.24Å
78	M	89.3	Confident	85.9	Confident	17 Å²	17	45.5 Å²	45.5	8%	0.084	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.4	172	67.1	-171.8	-64	0	0	112.1	Y215 I216 I243 F245 V248	M78-Y215 WeakPolarHBondContact O-CA 3.41Å; M78-I216 HydrophobicContact CG-CB 3.95Å; M78-I216 HydrophobicContact CG-CG2 4.46Å; M78-I216 PolarHBondContact N-O 2.8Å; M78-I216 PolarHBondContact O-N 3.43Å; M78-I243 HydrophobicContact CE-CG2 3.52Å; M78-I243 HydrophobicContact SD-CG2 3.5Å; M78-I243 WeakPolarHBondContact SD-CG2 3.32Å; M78-F245 HydrophobicContact SD-CD1 3.62Å; M78-F245 HydrophobicContact SD-CE1 3.5Å; M78-F245 WeakPolarHBondContact SD-CE1 3.31Å; M78-F245 HydrophobicContact SD-CZ 4.46Å; M78-V248 HydrophobicContact CB-CG1 3.76Å; M78-V248 HydrophobicContact CB-CG2 4.2Å
79	P	88.9	Confident	85.3	Confident	84 Å²	84	49.7 Å²	49.7	55%	0.545	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	143.5	169.8	30.2	-34.7	0	0	0	110	G214 Y215	P79-G214 CarbonylContact C-O 3.55Å; P79-G214 WeakPolarHBondContact CA-O 3.49Å; P79-Y215 HydrophobicContact CB-CE1 4.44Å; P79-Y215 HydrophobicContact CB-CE2 4.35Å
80	F	89.4	Confident	84.7	Confident	32 Å²	32	50.2 Å²	50.2	14%	0.14	28%	0.278	C	S	.	.			trans	-141.9	139.3	178.9	178.9	-99.5	0	0	0	110.3	S82 F83 L113 G214 I216 V238 I243	F80-S82 PolarHBondContact O-N 3.12Å; F80-F83 HydrophobicContact CE1-CD1 4.01Å; F80-F83 AromaticContact CE1-CE1 3.97Å; F80-F83 HydrophobicContact CE1-CE1 3.97Å; F80-L113 HydrophobicContact CD1-CD1 3.85Å; F80-L113 HydrophobicContact CE1-CD1 4.35Å; F80-G214 PolarHBondContact N-O 2.74Å; F80-G214 CarbonylContact O-C 3.55Å; F80-G214 VanDerWaalsContact O-C 3.26Å; F80-G214 WeakPolarHBondContact O-CA 3.45Å; F80-G214 PolarHBondContact O-N 2.84Å; F80-G214 VanDerWaalsContact O-O 3.06Å; F80-I216 HydrophobicContact CB-CD1 3.83Å; F80-I216 HydrophobicContact CB-CG1 3.85Å; F80-I216 HydrophobicContact CD1-CD1 4.23Å; F80-I216 HydrophobicContact CD2-CD1 3.68Å; F80-I216 HydrophobicContact CE2-CD1 4.35Å; F80-I216 HydrophobicContact CG-CD1 3.61Å; F80-I216 HydrophobicContact CG-CG1 4.06Å; F80-V238 HydrophobicContact CE1-CB 4.24Å; F80-V238 HydrophobicContact CE1-CG1 3.79Å; F80-V238 HydrophobicContact CE2-CB 4.23Å; F80-V238 HydrophobicContact CZ-CB 3.66Å; F80-V238 HydrophobicContact CZ-CG1 3.63Å; F80-V238 HydrophobicContact CZ-CG2 4.22Å; F80-I243 HydrophobicContact CD2-CD1 3.61Å; F80-I243 HydrophobicContact CE2-CD1 3.37Å; F80-I243 HydrophobicContact CZ-CD1 4.37Å
81	T	88.4	Confident	84.4	Confident	116 Å²	116	52.8 Å²	52.8	71%	0.712	29%	0.289	S	S	*	.			trans	-60.1	120.7	-176.6	-54.8	0	0	0	0	111.6
82	S	87.4	Confident	84.5	Confident	41 Å²	41	55.6 Å²	55.6	29%	0.287	31%	0.306	S	S	.	.			trans	-62.5	143	172.7	-60.4	0	0	0	0	111.6	F80 Q211 L212 G213	F80-S82 PolarHBondContact O-N 3.12Å; S82-Q211 PolarHBondContact OG-NE2 2.56Å; S82-Q211 VanDerWaalsContact OG-NE2 3.1Å; S82-L212 CarbonylContact C-O 3.54Å; S82-L212 WeakPolarHBondContact CA-O 3.46Å; S82-G213 PolarHBondContact OG-O 2.88Å
83	F	88.8	Confident	85.2	Confident	34 Å²	34	53.7 Å²	53.7	15%	0.149	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154	173.6	59.9	-95.5	0	0	0	111.3	F80 M85 V93 L113 Q211 L212 V238	F80-F83 HydrophobicContact CE1-CD1 4.01Å; F80-F83 AromaticContact CE1-CE1 3.97Å; F80-F83 HydrophobicContact CE1-CE1 3.97Å; F83-M85 HydrophobicContact CE2-CE 4.37Å; F83-M85 HydrophobicContact CE2-CG 4.47Å; F83-V93 HydrophobicContact CD2-CG2 4.35Å; F83-V93 HydrophobicContact CE2-CG1 4.18Å; F83-V93 HydrophobicContact CE2-CG2 3.64Å; F83-V93 HydrophobicContact CZ-CG1 4.03Å; F83-V93 HydrophobicContact CZ-CG2 4.31Å; F83-L113 HydrophobicContact CE1-CD2 4.17Å; F83-L113 HydrophobicContact CZ-CD2 4.15Å; F83-Q211 WeakPolarHBondContact O-CA 3.09Å; F83-L212 HydrophobicContact CD2-CB 4.34Å; F83-L212 HydrophobicContact CE1-CB 4.23Å; F83-L212 HydrophobicContact CE2-CB 3.68Å; F83-L212 HydrophobicContact CE2-CD1 4.16Å; F83-L212 HydrophobicContact CE2-CG 4.28Å; F83-L212 HydrophobicContact CZ-CB 3.64Å; F83-L212 HydrophobicContact CZ-CD1 4.16Å; F83-L212 HydrophobicContact CZ-CG 4.46Å; F83-L212 PolarHBondContact N-O 3.36Å; F83-L212 PolarHBondContact O-N 3.47Å; F83-V238 HydrophobicContact CE1-CG1 3.71Å; F83-V238 HydrophobicContact CZ-CG1 4.29Å
84	Y	86.7	Confident	86.2	Confident	144 Å²	144	49.1 Å²	49.1	57%	0.565	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.6	-179.5	-62.9	-80.6	0	0	0	110.8	T209 I210 Q211	Y84-T209 HydrophobicContact CD1-CG2 4.42Å; Y84-I210 WeakPolarHBondContact CA-O 3.49Å; Y84-Q211 HydrophobicContact CD1-CB 3.89Å; Y84-Q211 HydrophobicContact CD1-CG 4.17Å; Y84-Q211 HydrophobicContact CE1-CB 3.63Å; Y84-Q211 HydrophobicContact CE1-CG 3.68Å; Y84-Q211 VanDerWaalsContact CE1-OE1 3.22Å; Y84-Q211 PolarHBondContact OH-OE1 3.09Å
85	M	84.8	Confident	86.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.9	163.5	-84	-166.3	-84	0	0	109.6	F83 V93 L172 T174 W180 T209 I210 L212	F83-M85 HydrophobicContact CE2-CE 4.37Å; F83-M85 HydrophobicContact CE2-CG 4.47Å; M85-V93 HydrophobicContact CE-CB 4.18Å; M85-V93 HydrophobicContact CE-CG2 3.79Å; M85-V93 HydrophobicContact CG-CG2 3.58Å; M85-V93 HydrophobicContact SD-CB 3.92Å; M85-V93 HydrophobicContact SD-CG2 3.31Å; M85-V93 WeakPolarHBondContact SD-CG2 3.42Å; M85-L172 HydrophobicContact CE-CB 4.18Å; M85-L172 HydrophobicContact CE-CD2 4.38Å; M85-L172 HydrophobicContact SD-CB 4.43Å; M85-T174 HydrophobicContact CB-CG2 4.07Å; M85-T174 HydrophobicContact CG-CG2 4.42Å; M85-T174 HydrophobicContact SD-CG2 3.88Å; M85-W180 HydrophobicContact CB-CH2 3.74Å; M85-W180 HydrophobicContact CB-CZ3 3.77Å; M85-W180 HydrophobicContact CE-CE3 4.38Å; M85-W180 HydrophobicContact CE-CZ3 3.7Å; M85-W180 HydrophobicContact CG-CZ3 4.39Å; M85-W180 HydrophobicContact SD-CE3 4.41Å; M85-W180 HydrophobicContact SD-CZ3 3.69Å; M85-T209 CarbonylContact O-C 3.57Å; M85-T209 VanDerWaalsContact O-CA 3.23Å; M85-T209 WeakPolarHBondContact O-CA 3.5Å; M85-T209 VanDerWaalsContact O-CG2 3.29Å; M85-T209 WeakPolarHBondContact O-CG2 3.1Å; M85-I210 HydrophobicContact CB-CG1 4.27Å; M85-I210 HydrophobicContact CE-CD1 4.18Å; M85-I210 HydrophobicContact CE-CG1 4.5Å; M85-I210 PolarHBondContact N-O 2.68Å; M85-I210 PolarHBondContact O-N 3.23Å; M85-L212 HydrophobicContact CE-CD1 3.36Å; M85-L212 HydrophobicContact CE-CG 3.98Å
86	N	79.7	Confident	87.3	Confident	38 Å²	38	44.1 Å²	44.1	20%	0.203	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	157.6	178.1	-171.2	-3.1	0	0	0	109.4	T88 I89 T174 N208	N86-T88 PolarHBondContact ND2-OG1 2.88Å; N86-T88 PolarHBondContact OD1-N 3.15Å; N86-T88 PolarHBondContact OD1-OG1 3.1Å; N86-I89 CarbonylContact C-O 3.55Å; N86-T174 VanDerWaalsContact O-CB 3.29Å; N86-T174 WeakPolarHBondContact O-CB 3.42Å; N86-T174 WeakPolarHBondContact O-CG2 3.2Å; N86-T174 PolarHBondContact O-OG1 3.46Å; N86-N208 CarbonylContact C-O 3.51Å; N86-N208 VanDerWaalsContact CA-O 3.29Å; N86-N208 WeakPolarHBondContact CA-O 3.46Å; N86-N208 PolarHBondContact OD1-O 3.03Å
87	T	80.5	Confident	87.7	Confident	3 Å²	3	44 Å²	44	2%	0.018	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-21.6	171.7	64.7	0	0	0	0	112.7	I89 V176 W180 N208	T87-I89 PolarHBondContact O-N 2.99Å; T87-V176 WeakPolarHBondContact O-CA 3.38Å; T87-W180 HydrophobicContact CG2-CZ2 3.73Å; T87-N208 PolarHBondContact N-O 2.9Å; T87-N208 VanDerWaalsContact OG1-CA 3.3Å; T87-N208 WeakPolarHBondContact OG1-CA 3.5Å; T87-N208 PolarHBondContact OG1-O 2.96Å
88	T	78.8	Confident	87.9	Confident	87 Å²	87	41.2 Å²	41.2	53%	0.534	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.2	-179.6	72.8	0	0	0	0	113.4	N86	N86-T88 PolarHBondContact ND2-OG1 2.88Å; N86-T88 PolarHBondContact OD1-N 3.15Å; N86-T88 PolarHBondContact OD1-OG1 3.1Å
89	I	78.7	Confident	88.1	Confident	97 Å²	97	40.4 Å²	40.4	50%	0.497	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135	138.6	168.1	-52.8	173.1	0	0	0	103.9	N86 T87 H91	N86-I89 CarbonylContact C-O 3.55Å; T87-I89 PolarHBondContact O-N 2.99Å; I89-H91 PolarHBondContact O-N 2.78Å; I89-H91 VanDerWaalsContact O-N 3.11Å
90	Q	82.1	Confident	88.1	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.056	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	118.2	174.7	163.6	178.5	95.1	0	0	110.3	T92 T174 T663 N664	Q90-T92 PolarHBondContact OE1-OG1 3.07Å; Q90-T174 WeakPolarHBondContact CA-OG1 3.28Å; Q90-T174 WeakPolarHBondContact CB-O 3.05Å; Q90-T174 WeakPolarHBondContact CG-O 3.11Å; Q90-T174 PolarHBondContact NE2-O 2.03Å; Q90-T663 HydrophobicContact CB-CG2 3.49Å; Q90-T663 VanDerWaalsContact CB-CG2 3.49Å; Q90-T663 HydrophobicContact CG-CG2 3.74Å; Q90-N664 PolarHBondContact NE2-OD1 3.49Å
91	H	84.9	Confident	88	Confident	69 Å²	69	35.2 Å²	35.2	32%	0.319	19%	0.187	S	C	.	.			trans	-71.5	125.6	151.4	51.1	97.2	0	0	0	111.7	I89 N173 T174	I89-H91 PolarHBondContact O-N 2.78Å; I89-H91 VanDerWaalsContact O-N 3.11Å; H91-N173 WeakPolarHBondContact O-CA 2.91Å; H91-T174 PolarHBondContact N-OG1 2.82Å; H91-T174 PolarHBondContact O-N 3.41Å
92	T	90.1	Very high	87.8	Confident	59 Å²	59	33 Å²	33	36%	0.362	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.3	153.8	-66.7	0	0	0	0	107.8	Q90 F171 N173	Q90-T92 PolarHBondContact OE1-OG1 3.07Å; T92-F171 HydrophobicContact CG2-CD1 4.18Å; T92-N173 WeakPolarHBondContact CA-OD1 3.4Å; T92-N173 WeakPolarHBondContact CB-OD1 3.48Å; T92-N173 VanDerWaalsContact CG2-OD1 3.24Å; T92-N173 WeakPolarHBondContact CG2-OD1 3.02Å; T92-N173 PolarHBondContact OG1-OD1 3.12Å
93	V	92.5	Very high	87.6	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.024	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.4	170	164.1	0	0	0	0	108.4	F83 M85 I95 F171 L172 N239	F83-V93 HydrophobicContact CD2-CG2 4.35Å; F83-V93 HydrophobicContact CE2-CG1 4.18Å; F83-V93 HydrophobicContact CE2-CG2 3.64Å; F83-V93 HydrophobicContact CZ-CG1 4.03Å; F83-V93 HydrophobicContact CZ-CG2 4.31Å; M85-V93 HydrophobicContact CE-CB 4.18Å; M85-V93 HydrophobicContact CE-CG2 3.79Å; M85-V93 HydrophobicContact CG-CG2 3.58Å; M85-V93 HydrophobicContact SD-CB 3.92Å; M85-V93 HydrophobicContact SD-CG2 3.31Å; M85-V93 WeakPolarHBondContact SD-CG2 3.42Å; V93-I95 HydrophobicContact CG1-CG1 4.3Å; V93-F171 CarbonylContact O-C 3.57Å; V93-F171 VanDerWaalsContact O-CA 3.27Å; V93-F171 WeakPolarHBondContact O-CA 3.48Å; V93-L172 HydrophobicContact CB-CB 4.38Å; V93-L172 PolarHBondContact N-O 3.3Å; V93-L172 PolarHBondContact O-N 2.79Å; V93-N239 WeakPolarHBondContact CA-OD1 3.37Å; V93-N239 WeakPolarHBondContact CG1-OD1 3.36Å; V93-N239 WeakPolarHBondContact CG2-OD1 3.36Å
94	H	95	Very high	87.4	Confident	5 Å²	5	35.3 Å²	35.3	2%	0.023	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.2	172.9	179.4	-151.3	0	0	0	108.2	D169 I170 F171 N239 Y413 S415	H94-D169 IonicContact CD2-OD1 2.95Å; H94-D169 IonicContact CE1-OD1 2.69Å; H94-D169 PolarHBondContact CE1-OD1 2.98Å; H94-D169 VanDerWaalsContact CE1-OD1 3.32Å; H94-D169 IonicContact NE2-OD1 3.22Å; H94-D169 PolarHBondContact NE2-OD1 3.1Å; H94-I170 CarbonylContact C-O 3.48Å; H94-I170 WeakPolarHBondContact CA-O 3.48Å; H94-F171 HydrophobicContact CB-CD1 3.92Å; H94-F171 HydrophobicContact CB-CE1 3.64Å; H94-F171 HydrophobicContact CB-CZ 4.41Å; H94-F171 AromaticContact CD2-CE1 3.55Å; H94-F171 AromaticContact CD2-CE2 3.89Å; H94-F171 AromaticContact CD2-CZ 3.45Å; H94-F171 VanDerWaalsContact CD2-CZ 3.45Å; H94-F171 WeakPolarHBondContact CD2-CZ 3.45Å; H94-F171 AromaticContact CG-CE1 3.56Å; H94-F171 AromaticContact CG-CZ 3.84Å; H94-F171 AromaticContact NE2-CZ 3.81Å; H94-N239 WeakPolarHBondContact O-CA 3.37Å; H94-N239 PolarHBondContact O-N 3.26Å; H94-Y413 PolarHBondContact CE1-OH 2.97Å; H94-Y413 VanDerWaalsContact CE1-OH 3.24Å; H94-Y413 PolarHBondContact ND1-OH 3.48Å; H94-S415 PolarHBondContact ND1-OG 3.5Å
95	I	96.1	Very high	87.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	111.5	165.3	-58.8	174.8	0	0	0	105.6	V93 F111 L113 I129 I170 M237 V238	V93-I95 HydrophobicContact CG1-CG1 4.3Å; I95-F111 HydrophobicContact CD1-CE1 4.19Å; I95-F111 HydrophobicContact CG2-CD1 4.42Å; I95-F111 HydrophobicContact CG2-CE1 3.76Å; I95-F111 HydrophobicContact CG2-CE2 4.36Å; I95-F111 HydrophobicContact CG2-CZ 3.73Å; I95-L113 HydrophobicContact CD1-CD2 3.88Å; I95-I129 HydrophobicContact CD1-CD1 3.77Å; I95-I170 HydrophobicContact CB-CB 4.29Å; I95-I170 PolarHBondContact N-O 2.81Å; I95-I170 PolarHBondContact O-N 3.3Å; I95-M237 WeakPolarHBondContact CA-O 3.45Å; I95-V238 HydrophobicContact CG1-CG1 4.5Å
96	G	95.9	Very high	87.3	Confident	5 Å²	5	30.3 Å²	30.3	5%	0.052	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145	-180	0	0	0	0	0	110.6	V168 M237	G96-V168 CarbonylContact C-O 3.6Å; G96-V168 VanDerWaalsContact CA-O 3.32Å; G96-V168 WeakPolarHBondContact CA-O 3.49Å; G96-M237 PolarHBondContact N-O 3.39Å; G96-M237 VanDerWaalsContact N-O 3.08Å; G96-M237 PolarHBondContact O-N 3.39Å
97	F	95.6	Very high	87.8	Confident	5 Å²	5	29.9 Å²	29.9	2%	0.022	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	155.5	165.8	54.2	-95.2	0	0	0	111.7	F99 L110 F111 A131 I138 V168 I170 F233 V236	F97-F99 HydrophobicContact CD2-CB 4.39Å; F97-F99 HydrophobicContact CD2-CD1 4.24Å; F97-F99 AromaticContact CE2-CD1 3.92Å; F97-F99 HydrophobicContact CE2-CD1 3.92Å; F97-L110 HydrophobicContact CE2-CB 4.41Å; F97-L110 HydrophobicContact CE2-CD1 4.06Å; F97-L110 HydrophobicContact CZ-CB 4.32Å; F97-L110 HydrophobicContact CZ-CD1 4.21Å; F97-F111 HydrophobicContact CE1-CB 3.97Å; F97-F111 HydrophobicContact CE1-CG 4.24Å; F97-F111 HydrophobicContact CZ-CB 4.26Å; F97-A131 HydrophobicContact CE1-CB 4.36Å; F97-A131 HydrophobicContact CZ-CB 4.01Å; F97-I138 HydrophobicContact CZ-CD1 4.45Å; F97-V168 HydrophobicContact CD1-CB 4.5Å; F97-V168 HydrophobicContact CD2-CB 3.98Å; F97-V168 HydrophobicContact CD2-CG2 4.24Å; F97-V168 HydrophobicContact CE1-CB 4.19Å; F97-V168 HydrophobicContact CE1-CG1 3.95Å; F97-V168 HydrophobicContact CE2-CB 3.63Å; F97-V168 HydrophobicContact CE2-CG1 4.05Å; F97-V168 HydrophobicContact CE2-CG2 3.67Å; F97-V168 HydrophobicContact CG-CB 4.41Å; F97-V168 HydrophobicContact CZ-CB 3.75Å; F97-V168 HydrophobicContact CZ-CG1 3.63Å; F97-V168 HydrophobicContact CZ-CG2 4.09Å; F97-V168 PolarHBondContact N-O 2.91Å; F97-V168 PolarHBondContact O-N 2.93Å; F97-I170 HydrophobicContact CE1-CD1 4.34Å; F97-F233 HydrophobicContact CB-CD1 4.32Å; F97-F233 AromaticContact CD2-CD1 3.79Å; F97-F233 HydrophobicContact CD2-CD1 3.79Å; F97-F233 AromaticContact CD2-CE1 3.61Å; F97-F233 HydrophobicContact CD2-CE1 3.61Å; F97-F233 HydrophobicContact CE2-CD1 4.4Å; F97-F233 AromaticContact CE2-CE1 3.77Å; F97-F233 HydrophobicContact CE2-CE1 3.77Å; F97-F233 HydrophobicContact CG-CD1 4.24Å; F97-F233 HydrophobicContact CG-CE1 4.28Å; F97-V236 HydrophobicContact CB-CB 4.32Å; F97-V236 HydrophobicContact CB-CG1 4.39Å; F97-V236 HydrophobicContact CB-CG2 3.93Å
98	Q	93.3	Very high	88.2	Confident	12 Å²	12	29.7 Å²	29.7	6%	0.056	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	141.2	163.5	-68.1	165	43.3	0	0	109	W165 H166 Y167 F233 D234	Q98-W165 HydrophobicContact CB-CE3 3.94Å; Q98-W165 HydrophobicContact CB-CZ3 4.32Å; Q98-H166 VanDerWaalsContact CA-O 3.25Å; Q98-H166 WeakPolarHBondContact CA-O 3.27Å; Q98-Y167 VanDerWaalsContact CD-CZ 3.49Å; Q98-Y167 HydrophobicContact CG-CD1 3.72Å; Q98-Y167 HydrophobicContact CG-CD2 4.2Å; Q98-Y167 HydrophobicContact CG-CE1 3.67Å; Q98-Y167 HydrophobicContact CG-CE2 4.14Å; Q98-Y167 HydrophobicContact CG-CG 4Å; Q98-Y167 PolarHBondContact NE2-OH 2.96Å; Q98-Y167 VanDerWaalsContact NE2-OH 3.09Å; Q98-F233 CarbonylContact O-C 3.54Å; Q98-F233 VanDerWaalsContact O-CA 3.24Å; Q98-F233 WeakPolarHBondContact O-CA 3.48Å; Q98-D234 HydrophobicContact CB-CB 4.22Å; Q98-D234 WeakPolarHBondContact CB-O 3.29Å; Q98-D234 PolarHBondContact N-O 3.16Å; Q98-D234 PolarHBondContact O-N 3.4Å
99	F	92.5	Very high	88.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.1	169.6	81.6	-81.5	0	0	0	111.9	F97 T101 L110 L133 L160 W165 H166 V168 F229 C232 F233	F97-F99 HydrophobicContact CD2-CB 4.39Å; F97-F99 HydrophobicContact CD2-CD1 4.24Å; F97-F99 AromaticContact CE2-CD1 3.92Å; F97-F99 HydrophobicContact CE2-CD1 3.92Å; F99-T101 HydrophobicContact CD2-CG2 4.42Å; F99-T101 HydrophobicContact CE2-CG2 4.05Å; F99-L110 HydrophobicContact CD1-CD1 4.33Å; F99-L110 HydrophobicContact CD2-CD2 4.09Å; F99-L110 HydrophobicContact CE1-CD1 4.15Å; F99-L110 HydrophobicContact CE2-CD2 4.29Å; F99-L110 HydrophobicContact CG-CD2 4.41Å; F99-L110 HydrophobicContact CZ-CD1 4.25Å; F99-L133 HydrophobicContact CE2-CD1 4.04Å; F99-L133 HydrophobicContact CE2-CD2 4.34Å; F99-L133 HydrophobicContact CZ-CD1 4.48Å; F99-L133 HydrophobicContact CZ-CD2 3.96Å; F99-L160 HydrophobicContact CE1-CD1 4.23Å; F99-L160 HydrophobicContact CE2-CB 4.36Å; F99-L160 WeakPolarHBondContact CE2-O 3.43Å; F99-L160 HydrophobicContact CZ-CB 3.65Å; F99-L160 HydrophobicContact CZ-CD1 4.01Å; F99-W165 VanDerWaalsContact C-CE3 3.45Å; F99-W165 WeakPolarHBondContact O-CA 3.25Å; F99-H166 HydrophobicContact CD1-CB 4.42Å; F99-H166 HydrophobicContact CE1-CB 4Å; F99-H166 HydrophobicContact CZ-CB 4.42Å; F99-H166 PolarHBondContact N-O 3.17Å; F99-H166 PolarHBondContact O-N 2.58Å; F99-V168 HydrophobicContact CD1-CG2 3.75Å; F99-V168 HydrophobicContact CE1-CG2 3.5Å; F99-F229 AromaticContact CD2-CE2 3.91Å; F99-F229 HydrophobicContact CD2-CE2 3.91Å; F99-F229 AromaticContact CD2-CZ 3.89Å; F99-F229 HydrophobicContact CD2-CZ 3.89Å; F99-F229 HydrophobicContact CE2-CE2 4.34Å; F99-C232 VanDerWaalsContact CA-O 3.24Å; F99-C232 WeakPolarHBondContact CA-O 3.1Å; F99-C232 WeakPolarHBondContact CB-O 3.49Å; F99-F233 HydrophobicContact CB-CD1 3.93Å; F99-F233 HydrophobicContact CB-CE1 3.89Å; F99-F233 HydrophobicContact CB-CG 4.38Å; F99-F233 HydrophobicContact CB-CZ 4.29Å
100	I	88.2	Confident	89.4	Confident	4 Å²	4	21 Å²	21	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	136	173.6	178.7	159.5	0	0	0	109.2	N163 A164 W165 G231 C232	I100-N163 WeakPolarHBondContact CD1-O 3.41Å; I100-A164 WeakPolarHBondContact CA-O 3.28Å; I100-A164 VanDerWaalsContact CB-O 3.28Å; I100-A164 WeakPolarHBondContact CB-O 3.02Å; I100-A164 WeakPolarHBondContact CG1-O 3.5Å; I100-W165 HydrophobicContact CB-CD2 3.87Å; I100-W165 HydrophobicContact CB-CE3 3.84Å; I100-W165 HydrophobicContact CB-CG 4.35Å; I100-W165 HydrophobicContact CB-CZ3 4.2Å; I100-W165 HydrophobicContact CG2-CD2 3.81Å; I100-W165 HydrophobicContact CG2-CE3 3.72Å; I100-W165 HydrophobicContact CG2-CH2 3.56Å; I100-W165 HydrophobicContact CG2-CZ2 3.63Å; I100-W165 HydrophobicContact CG2-CZ3 3.6Å; I100-G231 CarbonylContact O-C 3.46Å; I100-G231 VanDerWaalsContact O-CA 3.26Å; I100-G231 WeakPolarHBondContact O-CA 3.32Å; I100-C232 HydrophobicContact CG2-CB 3.75Å; I100-C232 PolarHBondContact N-O 3.4Å; I100-C232 PolarHBondContact O-N 3.25Å
101	T	87.1	Confident	90	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.025	12%	0.118	C	C	.	.			trans	-148.2	151.5	173.4	-174.7	0	0	0	0	111.5	F99 D103 L133 N161 N163 F229 R230	F99-T101 HydrophobicContact CD2-CG2 4.42Å; F99-T101 HydrophobicContact CE2-CG2 4.05Å; T101-D103 PolarHBondContact OG1-N 2.86Å; T101-D103 VanDerWaalsContact OG1-N 3.1Å; T101-L133 HydrophobicContact CG2-CD1 4.15Å; T101-N161 HydrophobicContact CG2-CB 3.77Å; T101-N161 CarbonylContact O-C 3.29Å; T101-N163 WeakPolarHBondContact O-CA 3.25Å; T101-N163 PolarHBondContact O-N 2.87Å; T101-N163 VanDerWaalsContact O-N 3.15Å; T101-F229 HydrophobicContact CG2-CE2 3.83Å; T101-R230 WeakPolarHBondContact CB-O 3.5Å; T101-R230 PolarHBondContact OG1-O 2.86Å
102	S	84.3	Confident	90.3	Very high	70 Å²	70	17.2 Å²	17.2	49%	0.49	10%	0.104	S	C	.	.			trans	-122.2	29.1	169.7	77.6	0	0	0	0	110.6	N104	S102-N104 PolarHBondContact O-N 2.63Å
103	D	84.2	Confident	90.3	Very high	33 Å²	33	14.5 Å²	14.5	18%	0.176	9%	0.087	C	C	.	.			trans	-78.5	122.1	-178.5	-150.2	-46.2	0	0	0	111.3	T101 S105 G106 N161 R230	T101-D103 PolarHBondContact OG1-N 2.86Å; T101-D103 VanDerWaalsContact OG1-N 3.1Å; D103-S105 PolarHBondContact O-N 3.4Å; D103-S105 PolarHBondContact OD1-N 3.33Å; D103-G106 PolarHBondContact O-N 3.18Å; D103-N161 PolarHBondContact O-ND2 3.23Å; D103-R230 IonicContact OD2-NH1 3.96Å
104	N	84.5	Confident	90.1	Very high	90 Å²	90	15 Å²	15	48%	0.481	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.5	-173.7	-70.5	7.8	0	0	0	113.3	S102 G106	S102-N104 PolarHBondContact O-N 2.63Å; N104-G106 VanDerWaalsContact C-N 3.3Å
105	S	84.9	Confident	89.5	Confident	38 Å²	38	16.5 Å²	16.5	27%	0.266	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.9	172.6	72.3	0	0	0	0	112	D103 N107 E227	D103-S105 PolarHBondContact O-N 3.4Å; D103-S105 PolarHBondContact OD1-N 3.33Å; S105-N107 PolarHBondContact O-N 3.02Å; S105-N107 PolarHBondContact OG-N 2.81Å; S105-N107 VanDerWaalsContact OG-N 3.12Å; S105-E227 WeakPolarHBondContact CB-OE2 3.26Å; S105-E227 PolarHBondContact OG-OE2 2.8Å
106	G	84.7	Confident	88.2	Confident	2 Å²	2	19 Å²	19	2%	0.021	11%	0.109	C	C	.	.			trans	60.1	16.3	-169.9	0	0	0	0	0	113.2	D103 N104 L133 F135 G136 N161	D103-G106 PolarHBondContact O-N 3.18Å; N104-G106 VanDerWaalsContact C-N 3.3Å; G106-L133 WeakPolarHBondContact O-CB 3.38Å; G106-F135 PolarHBondContact O-N 3.2Å; G106-G136 WeakPolarHBondContact O-CA 3.31Å; G106-G136 PolarHBondContact O-N 2.98Å; G106-N161 WeakPolarHBondContact CA-ND2 3.44Å
107	N	89.3	Confident	86.6	Confident	28 Å²	28	24.4 Å²	24.4	15%	0.15	14%	0.137	C	C	.	.			trans	-107.8	142.1	-179.9	-67.7	-27.9	0	0	0	109.8	S105 L133 F135 E227	S105-N107 PolarHBondContact O-N 3.02Å; S105-N107 PolarHBondContact OG-N 2.81Å; S105-N107 VanDerWaalsContact OG-N 3.12Å; N107-L133 WeakPolarHBondContact CA-O 2.94Å; N107-F135 PolarHBondContact OD1-N 2.68Å; N107-E227 HydrophobicContact CB-CB 4.2Å; N107-E227 HydrophobicContact CB-CG 4.31Å; N107-E227 WeakPolarHBondContact CB-OE1 3.46Å; N107-E227 PolarHBondContact ND2-OE1 3.25Å
108	G	89.5	Confident	84.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.2	146.8	170.3	0	0	0	0	0	114.2	L110 F132 L133 E227	G108-L110 PolarHBondContact O-N 3.08Å; G108-F132 CarbonylContact O-C 3.53Å; G108-F132 VanDerWaalsContact O-CA 3.27Å; G108-F132 WeakPolarHBondContact O-CA 3.18Å; G108-L133 PolarHBondContact N-O 3.12Å; G108-L133 PolarHBondContact O-N 3.12Å; G108-E227 WeakPolarHBondContact CA-O 3.49Å
109	T	90.3	Very high	82.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.6	173.6	-69.3	0	0	0	0	110.9	K130 G219 D220 S225 F229	T109-K130 HydrophobicContact CG2-CD 4.4Å; T109-K130 VanDerWaalsContact CG2-CE 3.48Å; T109-K130 HydrophobicContact CG2-CG 4.46Å; T109-K130 WeakPolarHBondContact OG1-CE 2.97Å; T109-K130 PolarHBondContact OG1-NZ 3.01Å; T109-G219 VanDerWaalsContact O-CA 3.32Å; T109-G219 WeakPolarHBondContact O-CA 3.22Å; T109-D220 WeakPolarHBondContact CB-O 3.46Å; T109-D220 WeakPolarHBondContact CG2-O 3.3Å; T109-D220 PolarHBondContact OG1-O 2.95Å; T109-S225 PolarHBondContact N-OG 2.86Å; T109-S225 PolarHBondContact OG1-OG 3.04Å; T109-F229 WeakPolarHBondContact O-CB 3.4Å
110	L	92.9	Very high	80.6	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-66	-179.7	-60.7	179	0	0	0	110.6	F97 F99 G108 A131 L133 I138 I218 G219 F229 F233	F97-L110 HydrophobicContact CE2-CB 4.41Å; F97-L110 HydrophobicContact CE2-CD1 4.06Å; F97-L110 HydrophobicContact CZ-CB 4.32Å; F97-L110 HydrophobicContact CZ-CD1 4.21Å; F99-L110 HydrophobicContact CD1-CD1 4.33Å; F99-L110 HydrophobicContact CD2-CD2 4.09Å; F99-L110 HydrophobicContact CE1-CD1 4.15Å; F99-L110 HydrophobicContact CE2-CD2 4.29Å; F99-L110 HydrophobicContact CG-CD2 4.41Å; F99-L110 HydrophobicContact CZ-CD1 4.25Å; G108-L110 PolarHBondContact O-N 3.08Å; L110-A131 HydrophobicContact CB-CB 4.35Å; L110-A131 PolarHBondContact N-O 3.13Å; L110-L133 HydrophobicContact CD1-CD2 3.93Å; L110-L133 HydrophobicContact CD1-CG 4.1Å; L110-L133 HydrophobicContact CD2-CD1 4.17Å; L110-L133 HydrophobicContact CD2-CG 4.05Å; L110-L133 HydrophobicContact CG-CG 4.16Å; L110-I138 HydrophobicContact CD1-CD1 3.57Å; L110-I138 HydrophobicContact CD1-CG1 4.07Å; L110-I218 WeakPolarHBondContact O-CA 3.43Å; L110-I218 WeakPolarHBondContact O-CG2 3.37Å; L110-G219 PolarHBondContact O-N 2.92Å; L110-G219 VanDerWaalsContact O-N 3.11Å; L110-F229 HydrophobicContact CD2-CB 4.49Å; L110-F229 HydrophobicContact CD2-CD1 4.34Å; L110-F229 HydrophobicContact CD2-CD2 3.28Å; L110-F229 HydrophobicContact CD2-CE1 4.41Å; L110-F229 HydrophobicContact CD2-CE2 3.33Å; L110-F229 HydrophobicContact CD2-CG 3.8Å; L110-F229 HydrophobicContact CD2-CZ 3.93Å; L110-F233 HydrophobicContact CB-CE1 4.2Å; L110-F233 HydrophobicContact CB-CZ 3.83Å; L110-F233 HydrophobicContact CD2-CZ 4.06Å; L110-F233 WeakPolarHBondContact O-CZ 3.35Å
111	F	93.4	Very high	78.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.3	-165.9	170.3	-83.7	0	0	0	109.6	I95 F97 L113 K130 A131 I216 L217 I218 V236 V238	I95-F111 HydrophobicContact CD1-CE1 4.19Å; I95-F111 HydrophobicContact CG2-CD1 4.42Å; I95-F111 HydrophobicContact CG2-CE1 3.76Å; I95-F111 HydrophobicContact CG2-CE2 4.36Å; I95-F111 HydrophobicContact CG2-CZ 3.73Å; F97-F111 HydrophobicContact CE1-CB 3.97Å; F97-F111 HydrophobicContact CE1-CG 4.24Å; F97-F111 HydrophobicContact CZ-CB 4.26Å; F111-L113 HydrophobicContact CE1-CB 3.67Å; F111-L113 HydrophobicContact CZ-CB 3.88Å; F111-K130 CarbonylContact O-C 3.5Å; F111-K130 WeakPolarHBondContact O-CA 3.32Å; F111-A131 HydrophobicContact CB-CB 4.36Å; F111-A131 PolarHBondContact N-O 3.47Å; F111-A131 PolarHBondContact O-N 2.9Å; F111-I216 HydrophobicContact CD2-CG2 4.15Å; F111-I216 HydrophobicContact CE2-CD1 4.39Å; F111-I216 HydrophobicContact CE2-CG1 4.37Å; F111-I216 HydrophobicContact CE2-CG2 3.71Å; F111-I216 HydrophobicContact CZ-CG1 4.42Å; F111-I216 HydrophobicContact CZ-CG2 4.45Å; F111-L217 CarbonylContact C-O 3.51Å; F111-L217 WeakPolarHBondContact CA-O 3.38Å; F111-I218 HydrophobicContact CD2-CD1 3.62Å; F111-I218 HydrophobicContact CE2-CD1 4.36Å; F111-I218 HydrophobicContact CG-CD1 4.48Å; F111-V236 HydrophobicContact CD2-CG1 4.21Å; F111-V236 HydrophobicContact CE2-CG1 3.96Å; F111-V238 HydrophobicContact CZ-CG2 4.41Å
112	T	91.4	Very high	76.8	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	119.7	170.2	-57	0	0	0	0	110.7	Q128 I129 K130 I216 L217	T112-Q128 HydrophobicContact CG2-CB 4.23Å; T112-I129 CarbonylContact C-O 3.56Å; T112-I129 VanDerWaalsContact CA-O 3.29Å; T112-I129 WeakPolarHBondContact CA-O 2.91Å; T112-K130 HydrophobicContact CG2-CB 4.23Å; T112-K130 WeakPolarHBondContact OG1-CG 3.4Å; T112-I216 CarbonylContact O-C 3.3Å; T112-I216 WeakPolarHBondContact O-CA 3.27Å; T112-L217 PolarHBondContact N-O 2.87Å; T112-L217 PolarHBondContact O-N 2.81Å
113	L	91.5	Very high	75.2	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.6	169.4	-179.3	71.7	0	0	0	108.2	F80 F83 I95 F111 Q128 I129 L212 I216	F80-L113 HydrophobicContact CD1-CD1 3.85Å; F80-L113 HydrophobicContact CE1-CD1 4.35Å; F83-L113 HydrophobicContact CE1-CD2 4.17Å; F83-L113 HydrophobicContact CZ-CD2 4.15Å; I95-L113 HydrophobicContact CD1-CD2 3.88Å; F111-L113 HydrophobicContact CE1-CB 3.67Å; F111-L113 HydrophobicContact CZ-CB 3.88Å; L113-Q128 CarbonylContact O-C 3.58Å; L113-Q128 WeakPolarHBondContact O-CA 3.41Å; L113-Q128 WeakPolarHBondContact O-CB 3.49Å; L113-I129 PolarHBondContact N-O 2.86Å; L113-I129 PolarHBondContact O-N 3.03Å; L113-L212 HydrophobicContact CD2-CB 4.4Å; L113-I216 HydrophobicContact CD1-CD1 4.25Å; L113-I216 HydrophobicContact CD1-CG1 3.57Å
114	R	86.9	Confident	73.8	Confident	15 Å²	15	62.8 Å²	62.8	6%	0.057	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.2	-179.9	72.2	176.8	-177.6	-139.2	-10.9	113.2	E77 M116 Q128 G213 G214 Y215 L217	E77-R114 VanDerWaalsContact CD-NH2 3.29Å; E77-R114 IonicContact OE1-NH2 2.84Å; E77-R114 PolarHBondContact OE1-NH2 3.06Å; E77-R114 VanDerWaalsContact OE1-NH2 3.08Å; E77-R114 IonicContact OE2-NH2 2.83Å; E77-R114 PolarHBondContact OE2-NH2 2.67Å; R114-M116 VanDerWaalsContact C-N 3.33Å; R114-M116 PolarHBondContact NE-O 2.95Å; R114-M116 PolarHBondContact O-N 2.64Å; R114-Q128 HydrophobicContact CB-CB 3.94Å; R114-G213 CarbonylContact O-C 3.43Å; R114-G214 PolarHBondContact O-N 2.89Å; R114-Y215 PolarHBondContact N-O 2.67Å; R114-Y215 PolarHBondContact O-N 2.98Å; R114-L217 HydrophobicContact CG-CD1 3.81Å; R114-L217 VanDerWaalsContact NH1-CD2 3.34Å
115	N	82	Confident	72.9	Confident	36 Å²	36	67.3 Å²	67.3	19%	0.193	33%	0.331	C	S	.	.	S	Bend	trans	-84.6	6.8	178.2	70.3	-32.5	0	0	0	115.1	R125 I127	N115-R125 PolarHBondContact ND2-O 3.12Å; N115-I127 HydrophobicContact CB-CB 4.27Å; N115-I127 PolarHBondContact N-O 2.99Å; N115-I127 VanDerWaalsContact N-O 3.09Å; N115-I127 PolarHBondContact OD1-N 3.44Å; N115-I127 PolarHBondContact OD1-O 3.21Å; N115-I127 VanDerWaalsContact OD1-O 3.1Å
116	M	70.9	Confident	72.4	Confident	51 Å²	51	67.5 Å²	67.5	25%	0.251	33%	0.329	S	S	.	.			trans	-128.7	139.5	-168.9	-76.6	176.6	166.1	0	0	113.9	R114 S118 N123 R125 L126	R114-M116 VanDerWaalsContact C-N 3.33Å; R114-M116 PolarHBondContact NE-O 2.95Å; R114-M116 PolarHBondContact O-N 2.64Å; M116-S118 VanDerWaalsContact C-N 3.28Å; M116-S118 PolarHBondContact O-N 2.81Å; M116-N123 WeakPolarHBondContact CE-O 3.32Å; M116-R125 VanDerWaalsContact CE-C 3.45Å; M116-R125 HydrophobicContact CE-CB 3.97Å; M116-R125 WeakPolarHBondContact CE-O 3.01Å; M116-L126 HydrophobicContact SD-CD1 4.47Å
117	N	61.9	Low	72.4	Confident	119 Å²	119	68.2 Å²	68.2	64%	0.636	33%	0.332	S	S	*	.	S	Bend	trans	-80.2	5.7	-173.7	-60.4	24.7	0	0	0	115.4	Y215	N117-Y215 VanDerWaalsContact CA-CD2 3.49Å; N117-Y215 VanDerWaalsContact CA-CE2 3.42Å; N117-Y215 HydrophobicContact CB-CD2 4.14Å; N117-Y215 HydrophobicContact CB-CE2 3.57Å; N117-Y215 WeakPolarHBondContact OD1-CE2 3.25Å
118	S	53.2	Low	72.4	Confident	57 Å²	57	68 Å²	68	40%	0.399	33%	0.331	S	S	.	.			trans	-154.7	152.3	-172.5	-172.6	0	0	0	0	111.7	M116 F120	M116-S118 VanDerWaalsContact C-N 3.28Å; M116-S118 PolarHBondContact O-N 2.81Å; S118-F120 PolarHBondContact OG-N 3.37Å; S118-F120 VanDerWaalsContact OG-N 3.08Å
119	T	52.6	Low	72.5	Confident	62 Å²	62	68 Å²	68	38%	0.38	33%	0.331	S	S	.	.	S	Bend	trans	-75.5	-10.2	166.2	47.3	0	0	0	0	112.9	E77 F121	E77-T119 WeakPolarHBondContact OE1-CG2 3.03Å; T119-F121 WeakPolarHBondContact O-CD2 3.34Å; T119-F121 WeakPolarHBondContact O-CE2 3.42Å; T119-F121 PolarHBondContact O-N 3.23Å
120	F	49.6	Very low	72.6	Confident	164 Å²	164	68.1 Å²	68.1	72%	0.719	33%	0.331	S	S	*	.	S	Bend	trans	-79.8	108.5	177.3	-79.7	-95.9	0	0	0	111.9	S118 L122	S118-F120 PolarHBondContact OG-N 3.37Å; S118-F120 VanDerWaalsContact OG-N 3.08Å; F120-L122 PolarHBondContact O-N 2.88Å
121	F	52.2	Low	72.6	Confident	186 Å²	186	68.1 Å²	68.1	82%	0.816	33%	0.331	S	S	*	.			trans	-64.8	86.3	178.2	-58.8	-88.4	0	0	0	112.6	T119	T119-F121 WeakPolarHBondContact O-CD2 3.34Å; T119-F121 WeakPolarHBondContact O-CE2 3.42Å; T119-F121 PolarHBondContact O-N 3.23Å
122	L	43.5	Very low	72.6	Confident	134 Å²	134	68.1 Å²	68.1	70%	0.702	33%	0.331	S	S	*	.			trans	-126.9	113.6	173	-77.7	166.1	0	0	0	110.5	F120	F120-L122 PolarHBondContact O-N 2.88Å
123	N	50.2	Low	72.7	Confident	140 Å²	140	68 Å²	68	75%	0.749	33%	0.331	S	S	*	.	S	Bend	trans	74.6	125.9	-170.2	-46.1	-66.9	0	0	0	114.3	M116 R125	M116-N123 WeakPolarHBondContact CE-O 3.32Å; N123-R125 PolarHBondContact O-N 2.02Å
124	E	55	Low	72.6	Confident	192 Å²	192	70.1 Å²	70.1	90%	0.897	34%	0.34	S	S	*	.	S	Bend	trans	-74.3	32.8	-164.8	-53.7	174.4	136.4	0	0	115.5	L126	E124-L126 PolarHBondContact O-N 3.46Å
125	R	64.1	Low	72.6	Confident	184 Å²	184	76.6 Å²	76.6	69%	0.694	37%	0.369	S	S	*	.			trans	-102.2	39	-172.9	-64.2	-169.2	178.5	-169.4	0.4	114.1	N115 M116 N123 I127 L145	N115-R125 PolarHBondContact ND2-O 3.12Å; M116-R125 VanDerWaalsContact CE-C 3.45Å; M116-R125 HydrophobicContact CE-CB 3.97Å; M116-R125 WeakPolarHBondContact CE-O 3.01Å; N123-R125 PolarHBondContact O-N 2.02Å; R125-I127 PolarHBondContact O-N 3.34Å; R125-L145 HydrophobicContact CB-CD2 4.04Å; R125-L145 HydrophobicContact CG-CD2 4.19Å
126	L	74.6	Confident	73	Confident	43 Å²	43	74.9 Å²	74.9	23%	0.225	36%	0.36	C	S	.	.			trans	-65.5	123.3	176.3	-174.9	61.3	0	0	0	110.2	M116 E124 Q128 I143 L145	M116-L126 HydrophobicContact SD-CD1 4.47Å; E124-L126 PolarHBondContact O-N 3.46Å; L126-Q128 HydrophobicContact CD1-CB 4.29Å; L126-Q128 HydrophobicContact CD1-CG 4.28Å; L126-Q128 HydrophobicContact CD2-CG 4.27Å; L126-Q128 HydrophobicContact CG-CG 4.14Å; L126-I143 HydrophobicContact CD2-CD1 4.36Å; L126-L145 PolarHBondContact O-N 2.9Å
127	I	85.6	Confident	74	Confident	16 Å²	16	76 Å²	76	8%	0.082	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116	165.5	-50.9	168.8	0	0	0	106.3	N115 R125 F142 I143 Y144 L145 L212	N115-I127 HydrophobicContact CB-CB 4.27Å; N115-I127 PolarHBondContact N-O 2.99Å; N115-I127 VanDerWaalsContact N-O 3.09Å; N115-I127 PolarHBondContact OD1-N 3.44Å; N115-I127 PolarHBondContact OD1-O 3.21Å; N115-I127 VanDerWaalsContact OD1-O 3.1Å; R125-I127 PolarHBondContact O-N 3.34Å; I127-F142 HydrophobicContact CG2-CE2 4.36Å; I127-I143 WeakPolarHBondContact CA-O 3.27Å; I127-Y144 HydrophobicContact CD1-CD2 3.83Å; I127-Y144 HydrophobicContact CD1-CE2 3.57Å; I127-Y144 HydrophobicContact CG1-CD2 3.84Å; I127-Y144 HydrophobicContact CG1-CE2 4.06Å; I127-Y144 HydrophobicContact CG2-CD2 3.86Å; I127-L145 HydrophobicContact CG1-CD2 4.35Å; I127-L212 HydrophobicContact CG2-CD2 3.37Å
128	Q	88.2	Confident	75.5	Confident	24 Å²	24	70.4 Å²	70.4	11%	0.112	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.8	-178.7	69.5	177.2	17.7	0	0	113.5	T112 L113 R114 L126 F142 I143	T112-Q128 HydrophobicContact CG2-CB 4.23Å; L113-Q128 CarbonylContact O-C 3.58Å; L113-Q128 WeakPolarHBondContact O-CA 3.41Å; L113-Q128 WeakPolarHBondContact O-CB 3.49Å; R114-Q128 HydrophobicContact CB-CB 3.94Å; L126-Q128 HydrophobicContact CD1-CB 4.29Å; L126-Q128 HydrophobicContact CD1-CG 4.28Å; L126-Q128 HydrophobicContact CD2-CG 4.27Å; L126-Q128 HydrophobicContact CG-CG 4.14Å; Q128-F142 WeakPolarHBondContact O-CD2 3.02Å; Q128-I143 HydrophobicContact CG-CB 4.11Å; Q128-I143 HydrophobicContact CG-CD1 4.08Å; Q128-I143 HydrophobicContact CG-CG1 4.1Å; Q128-I143 PolarHBondContact N-O 2.7Å; Q128-I143 PolarHBondContact O-N 3.31Å
129	I	92.3	Very high	77.4	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.9	163.6	-59.9	160.2	0	0	0	106.7	I95 T112 L113 V140 F142 L172 L212	I95-I129 HydrophobicContact CD1-CD1 3.77Å; T112-I129 CarbonylContact C-O 3.56Å; T112-I129 VanDerWaalsContact CA-O 3.29Å; T112-I129 WeakPolarHBondContact CA-O 2.91Å; L113-I129 PolarHBondContact N-O 2.86Å; L113-I129 PolarHBondContact O-N 3.03Å; I129-V140 HydrophobicContact CG2-CG1 3.88Å; I129-F142 HydrophobicContact CG1-CD2 3.6Å; I129-F142 HydrophobicContact CG1-CE2 4.1Å; I129-F142 HydrophobicContact CG1-CG 4.47Å; I129-L172 HydrophobicContact CD1-CD1 3.51Å; I129-L172 HydrophobicContact CD1-CD2 3.77Å; I129-L172 HydrophobicContact CD1-CG 4.32Å; I129-L172 HydrophobicContact CG1-CD1 4.45Å; I129-L172 HydrophobicContact CG1-CD2 4.25Å; I129-L212 HydrophobicContact CD1-CD1 3.6Å; I129-L212 HydrophobicContact CG1-CD1 4.46Å
130	K	92	Very high	79.4	Confident	1 Å²	1	65 Å²	65	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121	-179.9	175.4	166.6	177.9	130.7	0	110.8	T109 F111 T112 F132 V140 N141 S222	T109-K130 HydrophobicContact CG2-CD 4.4Å; T109-K130 VanDerWaalsContact CG2-CE 3.48Å; T109-K130 HydrophobicContact CG2-CG 4.46Å; T109-K130 WeakPolarHBondContact OG1-CE 2.97Å; T109-K130 PolarHBondContact OG1-NZ 3.01Å; F111-K130 CarbonylContact O-C 3.5Å; F111-K130 WeakPolarHBondContact O-CA 3.32Å; T112-K130 HydrophobicContact CG2-CB 4.23Å; T112-K130 WeakPolarHBondContact OG1-CG 3.4Å; K130-F132 HydrophobicContact CG-CD1 4.12Å; K130-V140 CarbonylContact O-C 3.59Å; K130-V140 WeakPolarHBondContact O-CA 3.16Å; K130-N141 PolarHBondContact N-O 2.96Å; K130-N141 PolarHBondContact O-N 2.64Å; K130-S222 PolarHBondContact NZ-O 3.34Å
131	A	94.4	Very high	81.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.7	169.3	0	0	0	0	0	110.4	F97 L110 F111 S139 V140 I170	F97-A131 HydrophobicContact CE1-CB 4.36Å; F97-A131 HydrophobicContact CZ-CB 4.01Å; L110-A131 HydrophobicContact CB-CB 4.35Å; L110-A131 PolarHBondContact N-O 3.13Å; F111-A131 HydrophobicContact CB-CB 4.36Å; F111-A131 PolarHBondContact N-O 3.47Å; F111-A131 PolarHBondContact O-N 2.9Å; A131-S139 WeakPolarHBondContact CA-O 3.38Å; A131-V140 HydrophobicContact CB-CG2 4Å; A131-I170 HydrophobicContact CB-CD1 4.17Å
132	F	93.4	Very high	83.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	156.7	-175.6	58.2	-76.7	0	0	0	110.6	G108 K130 E134 I138 S139 N141 T150 P224	G108-F132 CarbonylContact O-C 3.53Å; G108-F132 VanDerWaalsContact O-CA 3.27Å; G108-F132 WeakPolarHBondContact O-CA 3.18Å; K130-F132 HydrophobicContact CG-CD1 4.12Å; F132-E134 HydrophobicContact CD2-CG 3.92Å; F132-E134 HydrophobicContact CE2-CG 3.78Å; F132-I138 CarbonylContact O-C 3.59Å; F132-I138 WeakPolarHBondContact O-CA 3.18Å; F132-S139 WeakPolarHBondContact CD1-O 3.37Å; F132-S139 VanDerWaalsContact CZ-CB 3.49Å; F132-S139 PolarHBondContact N-O 2.02Å; F132-S139 PolarHBondContact O-N 2.9Å; F132-N141 HydrophobicContact CE1-CB 3.74Å; F132-N141 HydrophobicContact CZ-CB 4.43Å; F132-T150 HydrophobicContact CE1-CG2 4.48Å; F132-T150 HydrophobicContact CZ-CG2 3.98Å; F132-P224 HydrophobicContact CD1-CG 4.3Å; F132-P224 HydrophobicContact CD2-CG 3.92Å; F132-P224 HydrophobicContact CE1-CG 4Å; F132-P224 HydrophobicContact CE2-CB 4.25Å; F132-P224 HydrophobicContact CE2-CG 3.56Å; F132-P224 HydrophobicContact CG-CG 4.28Å; F132-P224 HydrophobicContact CZ-CG 3.61Å
133	L	92.4	Very high	85.6	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.7	171.6	-54.5	175.5	0	0	0	110.1	F99 T101 G106 N107 G108 L110 R137 I138 F229	F99-L133 HydrophobicContact CE2-CD1 4.04Å; F99-L133 HydrophobicContact CE2-CD2 4.34Å; F99-L133 HydrophobicContact CZ-CD1 4.48Å; F99-L133 HydrophobicContact CZ-CD2 3.96Å; T101-L133 HydrophobicContact CG2-CD1 4.15Å; G106-L133 WeakPolarHBondContact O-CB 3.38Å; N107-L133 WeakPolarHBondContact CA-O 2.94Å; G108-L133 PolarHBondContact N-O 3.12Å; G108-L133 PolarHBondContact O-N 3.12Å; L110-L133 HydrophobicContact CD1-CD2 3.93Å; L110-L133 HydrophobicContact CD1-CG 4.1Å; L110-L133 HydrophobicContact CD2-CD1 4.17Å; L110-L133 HydrophobicContact CD2-CG 4.05Å; L110-L133 HydrophobicContact CG-CG 4.16Å; L133-R137 WeakPolarHBondContact CA-O 3.38Å; L133-I138 HydrophobicContact CD2-CB 3.83Å; L133-I138 HydrophobicContact CD2-CG1 4.3Å; L133-F229 HydrophobicContact CD1-CD2 4.37Å; L133-F229 HydrophobicContact CD1-CE2 4.32Å
134	E	89.6	Confident	87.3	Confident	45 Å²	45	39.2 Å²	39.2	21%	0.21	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115	164	-70.5	178.1	154.6	0	0	107.7	F132 G136 R137 R152	F132-E134 HydrophobicContact CD2-CG 3.92Å; F132-E134 HydrophobicContact CE2-CG 3.78Å; E134-G136 VanDerWaalsContact C-N 3.28Å; E134-G136 PolarHBondContact O-N 3.12Å; E134-R137 PolarHBondContact N-O 2.04Å; E134-R137 PolarHBondContact O-N 2.89Å; E134-R152 VanDerWaalsContact CD-NH2 3.31Å; E134-R152 IonicContact OE1-CZ 3.79Å; E134-R152 IonicContact OE1-NE 2.9Å; E134-R152 IonicContact OE1-NH2 3.25Å; E134-R152 PolarHBondContact OE1-NH2 3.24Å; E134-R152 IonicContact OE2-CZ 3.7Å; E134-R152 VanDerWaalsContact OE2-CZ 3.29Å; E134-R152 IonicContact OE2-NE 2.8Å; E134-R152 PolarHBondContact OE2-NE 3.36Å; E134-R152 IonicContact OE2-NH2 3.06Å; E134-R152 PolarHBondContact OE2-NH2 2.84Å
135	F	88	Confident	88.7	Confident	152 Å²	152	33.4 Å²	33.4	67%	0.667	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	46	-178.3	-51.3	-76.6	0	0	0	113.6	G106 N107 R137	G106-F135 PolarHBondContact O-N 3.2Å; N107-F135 PolarHBondContact OD1-N 2.68Å; F135-R137 PolarHBondContact O-N 2.87Å
136	G	89.1	Confident	89.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-16.9	-179.9	0	0	0	0	0	114.3	G106 E134 L160 N161	G106-G136 WeakPolarHBondContact O-CA 3.31Å; G106-G136 PolarHBondContact O-N 2.98Å; E134-G136 VanDerWaalsContact C-N 3.28Å; E134-G136 PolarHBondContact O-N 3.12Å; G136-L160 PolarHBondContact O-N 2.92Å; G136-N161 WeakPolarHBondContact CA-OD1 3.48Å
137	R	91.7	Very high	90.2	Very high	75 Å²	75	31.5 Å²	31.5	28%	0.283	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.6	-179.8	-63.2	-176.7	-170.1	83.1	-5.7	110.4	L133 E134 F135 S155 A157	L133-R137 WeakPolarHBondContact CA-O 3.38Å; E134-R137 PolarHBondContact N-O 2.04Å; E134-R137 PolarHBondContact O-N 2.89Å; F135-R137 PolarHBondContact O-N 2.87Å; R137-S155 VanDerWaalsContact CZ-O 3.29Å; R137-S155 PolarHBondContact NE-O 2.9Å; R137-S155 VanDerWaalsContact NE-O 3.13Å; R137-S155 PolarHBondContact NH2-O 3.04Å; R137-A157 PolarHBondContact NE-O 2.71Å
138	I	93.2	Very high	90.4	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	146.4	177.7	-169.3	167.7	0	0	0	112.1	F97 L110 F132 L133 F153 L160 V168 L184 I186	F97-I138 HydrophobicContact CZ-CD1 4.45Å; L110-I138 HydrophobicContact CD1-CD1 3.57Å; L110-I138 HydrophobicContact CD1-CG1 4.07Å; F132-I138 CarbonylContact O-C 3.59Å; F132-I138 WeakPolarHBondContact O-CA 3.18Å; L133-I138 HydrophobicContact CD2-CB 3.83Å; L133-I138 HydrophobicContact CD2-CG1 4.3Å; I138-F153 HydrophobicContact CG2-CD2 3.79Å; I138-F153 HydrophobicContact CG2-CE2 3.65Å; I138-F153 WeakPolarHBondContact O-CD2 3.14Å; I138-L160 HydrophobicContact CB-CD1 4.05Å; I138-L160 HydrophobicContact CG2-CD1 3.77Å; I138-V168 HydrophobicContact CD1-CB 4.17Å; I138-V168 HydrophobicContact CD1-CG1 3.55Å; I138-V168 HydrophobicContact CD1-CG2 3.48Å; I138-V168 VanDerWaalsContact CD1-CG2 3.48Å; I138-L184 HydrophobicContact CG2-CD2 4.32Å; I138-I186 HydrophobicContact CG2-CG2 3.53Å
139	S	94	Very high	90.6	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.2	174.1	-65.6	0	0	0	0	109.9	A131 F132 L151 R152	A131-S139 WeakPolarHBondContact CA-O 3.38Å; F132-S139 WeakPolarHBondContact CD1-O 3.37Å; F132-S139 VanDerWaalsContact CZ-CB 3.49Å; F132-S139 PolarHBondContact N-O 2.02Å; F132-S139 PolarHBondContact O-N 2.9Å; S139-L151 CarbonylContact C-O 3.57Å; S139-L151 WeakPolarHBondContact CA-O 3.28Å; S139-L151 WeakPolarHBondContact CB-O 3.26Å; S139-R152 WeakPolarHBondContact OG-CG 3.47Å
140	V	94.9	Very high	90.7	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.8	178.2	173.1	0	0	0	0	110	I129 K130 A131 T150 L151 I170 L184	I129-V140 HydrophobicContact CG2-CG1 3.88Å; K130-V140 CarbonylContact O-C 3.59Å; K130-V140 WeakPolarHBondContact O-CA 3.16Å; A131-V140 HydrophobicContact CB-CG2 4Å; V140-T150 CarbonylContact O-C 3.54Å; V140-T150 VanDerWaalsContact O-CA 3.32Å; V140-T150 WeakPolarHBondContact O-CA 3.48Å; V140-L151 PolarHBondContact N-O 2.95Å; V140-L151 PolarHBondContact O-N 2.84Å; V140-I170 HydrophobicContact CG1-CD1 4.27Å; V140-I170 HydrophobicContact CG1-CG2 4.16Å; V140-I170 HydrophobicContact CG2-CD1 3.68Å; V140-I170 HydrophobicContact CG2-CG1 4.08Å; V140-L184 HydrophobicContact CB-CD2 4.28Å; V140-L184 HydrophobicContact CG2-CD1 3.79Å; V140-L184 HydrophobicContact CG2-CD2 3.87Å; V140-L184 HydrophobicContact CG2-CG 4.32Å
141	N	93.1	Very high	90.8	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.102	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.5	174.1	177.2	-106.6	0	0	0	110	K130 F132 I143 S148 R149 T150	K130-N141 PolarHBondContact N-O 2.96Å; K130-N141 PolarHBondContact O-N 2.64Å; F132-N141 HydrophobicContact CE1-CB 3.74Å; F132-N141 HydrophobicContact CZ-CB 4.43Å; N141-I143 WeakPolarHBondContact OD1-CD1 3.22Å; N141-I143 WeakPolarHBondContact OD1-CG1 3.25Å; N141-S148 PolarHBondContact ND2-OG 3.02Å; N141-R149 CarbonylContact C-O 3.57Å; N141-R149 WeakPolarHBondContact CA-O 3.44Å; N141-R149 PolarHBondContact ND2-O 3.41Å; N141-T150 HydrophobicContact CB-CG2 4.27Å; N141-T150 PolarHBondContact ND2-OG1 3.18Å
142	F	92.1	Very high	90.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.2	169.2	178.5	-137.3	0	0	0	108.8	I127 Q128 I129 S148 R149 L172 L182 M203 L205 I210 L212	I127-F142 HydrophobicContact CG2-CE2 4.36Å; Q128-F142 WeakPolarHBondContact O-CD2 3.02Å; I129-F142 HydrophobicContact CG1-CD2 3.6Å; I129-F142 HydrophobicContact CG1-CE2 4.1Å; I129-F142 HydrophobicContact CG1-CG 4.47Å; F142-S148 WeakPolarHBondContact O-CA 3.36Å; F142-S148 WeakPolarHBondContact O-CB 3.47Å; F142-S148 PolarHBondContact O-OG 3.43Å; F142-R149 PolarHBondContact N-O 3.03Å; F142-R149 PolarHBondContact O-N 3.45Å; F142-L172 HydrophobicContact CD1-CD2 4.41Å; F142-L172 HydrophobicContact CD2-CD2 4.35Å; F142-L172 HydrophobicContact CE1-CD2 4.28Å; F142-L172 HydrophobicContact CE2-CD2 4.23Å; F142-L172 HydrophobicContact CG-CD2 4.45Å; F142-L172 HydrophobicContact CZ-CD2 4.2Å; F142-L182 HydrophobicContact CB-CD2 3.51Å; F142-L182 HydrophobicContact CD1-CD1 4.18Å; F142-L182 HydrophobicContact CD1-CD2 3.8Å; F142-L182 HydrophobicContact CD1-CG 4.49Å; F142-L182 HydrophobicContact CG-CD2 3.97Å; F142-M203 HydrophobicContact CD1-CE 3.62Å; F142-M203 HydrophobicContact CD1-SD 3.52Å; F142-M203 VanDerWaalsContact CD1-SD 3.52Å; F142-M203 HydrophobicContact CE1-CE 3.65Å; F142-M203 HydrophobicContact CE1-SD 3.98Å; F142-M203 HydrophobicContact CG-CE 4.46Å; F142-M203 HydrophobicContact CG-SD 4.49Å; F142-L205 HydrophobicContact CE1-CD1 4.37Å; F142-I210 HydrophobicContact CZ-CD1 3.9Å; F142-L212 HydrophobicContact CE2-CD2 4.32Å
143	I	89	Confident	90.8	Very high	34 Å²	34	47 Å²	47	17%	0.174	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.3	174	-48.7	-174.3	0	0	0	108	L126 I127 Q128 N141 L145	L126-I143 HydrophobicContact CD2-CD1 4.36Å; I127-I143 WeakPolarHBondContact CA-O 3.27Å; Q128-I143 HydrophobicContact CG-CB 4.11Å; Q128-I143 HydrophobicContact CG-CD1 4.08Å; Q128-I143 HydrophobicContact CG-CG1 4.1Å; Q128-I143 PolarHBondContact N-O 2.7Å; Q128-I143 PolarHBondContact O-N 3.31Å; N141-I143 WeakPolarHBondContact OD1-CD1 3.22Å; N141-I143 WeakPolarHBondContact OD1-CG1 3.25Å; I143-L145 WeakPolarHBondContact CG2-O 3.39Å
144	Y	87.2	Confident	90.6	Very high	30 Å²	30	50.1 Å²	50.1	12%	0.118	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	98.9	166.1	179.6	-90.4	0	0	0	108.4	I127 S146 N147 L205 V207 I210	I127-Y144 HydrophobicContact CD1-CD2 3.83Å; I127-Y144 HydrophobicContact CD1-CE2 3.57Å; I127-Y144 HydrophobicContact CG1-CD2 3.84Å; I127-Y144 HydrophobicContact CG1-CE2 4.06Å; I127-Y144 HydrophobicContact CG2-CD2 3.86Å; Y144-S146 PolarHBondContact O-N 3.23Å; Y144-N147 PolarHBondContact N-O 2.72Å; Y144-N147 PolarHBondContact O-N 2.8Å; Y144-L205 HydrophobicContact CD1-CD1 3.96Å; Y144-L205 HydrophobicContact CD1-CD2 3.56Å; Y144-L205 HydrophobicContact CD1-CG 4.35Å; Y144-L205 HydrophobicContact CD2-CD1 4.25Å; Y144-L205 HydrophobicContact CE1-CD2 4.37Å; Y144-L205 HydrophobicContact CG-CD1 3.79Å; Y144-L205 HydrophobicContact CG-CD2 4.05Å; Y144-V207 HydrophobicContact CE1-CG2 3.88Å; Y144-V207 HydrophobicContact CE2-CG2 4.38Å; Y144-I210 HydrophobicContact CD2-CB 4.3Å; Y144-I210 HydrophobicContact CD2-CG2 3.86Å; Y144-I210 HydrophobicContact CE2-CB 3.91Å; Y144-I210 HydrophobicContact CE2-CG2 3.42Å; Y144-I210 VanDerWaalsContact CE2-CG2 3.42Å
145	L	83.6	Confident	90.4	Very high	69 Å²	69	52 Å²	52	36%	0.361	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-118.8	-176.6	-47.8	179	0	0	0	110.6	R125 L126 I127 I143	R125-L145 HydrophobicContact CB-CD2 4.04Å; R125-L145 HydrophobicContact CG-CD2 4.19Å; L126-L145 PolarHBondContact O-N 2.9Å; I127-L145 HydrophobicContact CG1-CD2 4.35Å; I143-L145 WeakPolarHBondContact CG2-O 3.39Å
146	S	83.6	Confident	90.2	Very high	118 Å²	118	47 Å²	47	83%	0.825	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-9.4	176.4	53.2	0	0	0	0	114.8	Y144	Y144-S146 PolarHBondContact O-N 3.23Å
147	N	86.4	Confident	90	Very high	70 Å²	70	47.2 Å²	47.2	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.7	179.3	-61.9	-79.2	0	0	0	110.2	Y144 M203 L205	Y144-N147 PolarHBondContact N-O 2.72Å; Y144-N147 PolarHBondContact O-N 2.8Å; N147-M203 HydrophobicContact CB-CE 3.74Å; N147-L205 HydrophobicContact CB-CD2 4.02Å
148	S	89.6	Confident	89.7	Confident	52 Å²	52	46.3 Å²	46.3	36%	0.364	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.1	173.7	-172.5	0	0	0	0	112.5	N141 F142	N141-S148 PolarHBondContact ND2-OG 3.02Å; F142-S148 WeakPolarHBondContact O-CA 3.36Å; F142-S148 WeakPolarHBondContact O-CB 3.47Å; F142-S148 PolarHBondContact O-OG 3.43Å
149	R	92.9	Very high	89.5	Confident	117 Å²	117	48 Å²	48	44%	0.442	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.7	169.9	-77	-52.8	-157.6	-124.3	2.8	110.4	N141 F142 D201 T202 M203	N141-R149 CarbonylContact C-O 3.57Å; N141-R149 WeakPolarHBondContact CA-O 3.44Å; N141-R149 PolarHBondContact ND2-O 3.41Å; F142-R149 PolarHBondContact N-O 3.03Å; F142-R149 PolarHBondContact O-N 3.45Å; R149-D201 WeakPolarHBondContact CD-OD2 3.22Å; R149-D201 WeakPolarHBondContact CG-OD2 3.32Å; R149-D201 IonicContact NE-OD1 2.69Å; R149-D201 IonicContact NE-OD2 3.84Å; R149-D201 PolarHBondContact NE-OD2 2.83Å; R149-T202 PolarHBondContact NE-O 2.98Å; R149-M203 HydrophobicContact CB-SD 3.88Å; R149-M203 HydrophobicContact CG-CB 3.94Å; R149-M203 HydrophobicContact CG-CG 4.09Å; R149-M203 HydrophobicContact CG-SD 3.63Å
150	T	94	Very high	89.3	Confident	51 Å²	51	47.9 Å²	47.9	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	109.5	177.6	-51.2	0	0	0	0	109.3	F132 V140 N141 R152	F132-T150 HydrophobicContact CE1-CG2 4.48Å; F132-T150 HydrophobicContact CZ-CG2 3.98Å; V140-T150 CarbonylContact O-C 3.54Å; V140-T150 VanDerWaalsContact O-CA 3.32Å; V140-T150 WeakPolarHBondContact O-CA 3.48Å; N141-T150 HydrophobicContact CB-CG2 4.27Å; N141-T150 PolarHBondContact ND2-OG1 3.18Å; T150-R152 HydrophobicContact CG2-CG 3.98Å
151	L	95.4	Very high	89	Confident	3 Å²	3	49 Å²	49	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	123	168.6	-75.1	67.8	0	0	0	107	S139 V140 L182 L184 V199 D201	S139-L151 CarbonylContact C-O 3.57Å; S139-L151 WeakPolarHBondContact CA-O 3.28Å; S139-L151 WeakPolarHBondContact CB-O 3.26Å; V140-L151 PolarHBondContact N-O 2.95Å; V140-L151 PolarHBondContact O-N 2.84Å; L151-L182 HydrophobicContact CD1-CB 3.75Å; L151-L182 HydrophobicContact CD1-CD2 3.92Å; L151-L182 HydrophobicContact CD1-CG 4.49Å; L151-L182 HydrophobicContact CD2-CB 4.06Å; L151-L184 HydrophobicContact CB-CB 4.4Å; L151-L184 HydrophobicContact CB-CD2 4.29Å; L151-L184 HydrophobicContact CD2-CB 3.72Å; L151-V199 HydrophobicContact CB-CG1 3.95Å; L151-V199 HydrophobicContact CD2-CG1 4.3Å; L151-V199 HydrophobicContact CG-CG1 4.09Å; L151-D201 HydrophobicContact CD1-CB 3.93Å; L151-D201 HydrophobicContact CG-CB 4.18Å
152	R	94.2	Very high	88.4	Confident	127 Å²	127	49.2 Å²	49.2	48%	0.479	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.5	172.3	-65.5	-164.9	155.4	109.3	-7.9	109.1	E134 S139 T150	E134-R152 VanDerWaalsContact CD-NH2 3.31Å; E134-R152 IonicContact OE1-CZ 3.79Å; E134-R152 IonicContact OE1-NE 2.9Å; E134-R152 IonicContact OE1-NH2 3.25Å; E134-R152 PolarHBondContact OE1-NH2 3.24Å; E134-R152 IonicContact OE2-CZ 3.7Å; E134-R152 VanDerWaalsContact OE2-CZ 3.29Å; E134-R152 IonicContact OE2-NE 2.8Å; E134-R152 PolarHBondContact OE2-NE 3.36Å; E134-R152 IonicContact OE2-NH2 3.06Å; E134-R152 PolarHBondContact OE2-NH2 2.84Å; S139-R152 WeakPolarHBondContact OG-CG 3.47Å; T150-R152 HydrophobicContact CG2-CG 3.98Å
153	F	91.9	Very high	87.9	Confident	17 Å²	17	51.1 Å²	51.1	8%	0.075	30%	0.296	C	S	.	.			trans	-71.9	145.1	166.4	-81.2	-83.7	0	0	0	111.4	I138 A157 L184 I186 P196 V199	I138-F153 HydrophobicContact CG2-CD2 3.79Å; I138-F153 HydrophobicContact CG2-CE2 3.65Å; I138-F153 WeakPolarHBondContact O-CD2 3.14Å; F153-A157 HydrophobicContact CB-CB 3.57Å; F153-A157 HydrophobicContact CD1-CB 3.81Å; F153-A157 HydrophobicContact CG-CB 3.93Å; F153-L184 HydrophobicContact CD2-CD2 4.09Å; F153-L184 HydrophobicContact CE2-CD2 3.64Å; F153-L184 HydrophobicContact CE2-CG 3.69Å; F153-L184 HydrophobicContact CZ-CG 4.24Å; F153-I186 HydrophobicContact CD1-CD1 4.49Å; F153-I186 HydrophobicContact CE1-CD1 4.04Å; F153-I186 HydrophobicContact CE1-CG1 4.17Å; F153-I186 HydrophobicContact CE2-CD1 4.29Å; F153-I186 HydrophobicContact CE2-CG1 4.37Å; F153-I186 HydrophobicContact CE2-CG2 3.61Å; F153-I186 HydrophobicContact CZ-CB 4.33Å; F153-I186 HydrophobicContact CZ-CD1 3.94Å; F153-I186 HydrophobicContact CZ-CG1 3.78Å; F153-I186 HydrophobicContact CZ-CG2 3.76Å; F153-P196 WeakPolarHBondContact CD1-O 3.5Å; F153-P196 WeakPolarHBondContact CE1-O 3.24Å; F153-V199 HydrophobicContact CD1-CG2 3.52Å; F153-V199 HydrophobicContact CD2-CG2 4.35Å; F153-V199 HydrophobicContact CE1-CB 4.5Å; F153-V199 HydrophobicContact CE1-CG2 3.64Å; F153-V199 HydrophobicContact CE2-CG2 4.47Å; F153-V199 HydrophobicContact CG-CG2 3.89Å; F153-V199 HydrophobicContact CZ-CG2 4.12Å
154	P	89	Confident	87.5	Confident	68 Å²	68	49.6 Å²	49.6	44%	0.442	29%	0.289	S	S	.	.			trans	-71.5	169.4	172.7	34	-37.8	0	0	0	111.2	G156 A157 P196	P154-G156 PolarHBondContact O-N 2.94Å; P154-G156 VanDerWaalsContact O-N 3.13Å; P154-A157 WeakPolarHBondContact O-CB 3.46Å; P154-A157 PolarHBondContact O-N 2.78Å; P154-P196 HydrophobicContact CG-CB 4.29Å; P154-P196 HydrophobicContact CG-CG 3.52Å
155	S	84.7	Confident	87.3	Confident	83 Å²	83	49.5 Å²	49.5	58%	0.58	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-33.5	-176.6	52.2	0	0	0	0	114.5	R137 A157	R137-S155 VanDerWaalsContact CZ-O 3.29Å; R137-S155 PolarHBondContact NE-O 2.9Å; R137-S155 VanDerWaalsContact NE-O 3.13Å; R137-S155 PolarHBondContact NH2-O 3.04Å; S155-A157 PolarHBondContact O-N 2.73Å
156	G	83.8	Confident	87.6	Confident	47 Å²	47	46.4 Å²	46.4	49%	0.485	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	0.1	178.1	0	0	0	0	0	115.9	P154 P196	P154-G156 PolarHBondContact O-N 2.94Å; P154-G156 VanDerWaalsContact O-N 3.13Å; G156-P196 WeakPolarHBondContact O-CD 3.45Å
157	A	86.4	Confident	88	Confident	6 Å²	6	42.5 Å²	42.5	5%	0.05	24%	0.239	C	C	.	.	S	Bend	trans	-80.5	145.4	172.8	0	0	0	0	0	112.1	R137 F153 P154 S155 P196	R137-A157 PolarHBondContact NE-O 2.71Å; F153-A157 HydrophobicContact CB-CB 3.57Å; F153-A157 HydrophobicContact CD1-CB 3.81Å; F153-A157 HydrophobicContact CG-CB 3.93Å; P154-A157 WeakPolarHBondContact O-CB 3.46Å; P154-A157 PolarHBondContact O-N 2.78Å; S155-A157 PolarHBondContact O-N 2.73Å; A157-P196 HydrophobicContact CB-CG 4.25Å
158	V	85	Confident	88.5	Confident	56 Å²	56	39.1 Å²	39.1	34%	0.339	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-60.1	144.5	176.5	-176	0	0	0	0	110.9	L194	V158-L194 HydrophobicContact CG2-CB 4.15Å
159	A	89.2	Confident	88.8	Confident	37 Å²	37	36.8 Å²	36.8	31%	0.306	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-89.7	126.7	175.2	0	0	0	0	0	110.3	N161	A159-N161 VanDerWaalsContact C-N 3.31Å; A159-N161 PolarHBondContact O-N 2.94Å
160	L	89.3	Confident	89	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-95.9	35.2	-167.4	-49.4	-179.3	0	0	0	112.7	F99 G136 I138 H166 I186	F99-L160 HydrophobicContact CE1-CD1 4.23Å; F99-L160 HydrophobicContact CE2-CB 4.36Å; F99-L160 WeakPolarHBondContact CE2-O 3.43Å; F99-L160 HydrophobicContact CZ-CB 3.65Å; F99-L160 HydrophobicContact CZ-CD1 4.01Å; G136-L160 PolarHBondContact O-N 2.92Å; I138-L160 HydrophobicContact CB-CD1 4.05Å; I138-L160 HydrophobicContact CG2-CD1 3.77Å; L160-H166 WeakPolarHBondContact CA-NE2 3.36Å; L160-I186 HydrophobicContact CD1-CG2 4.01Å; L160-I186 HydrophobicContact CD2-CD1 4.43Å
161	N	87.8	Confident	89.1	Confident	23 Å²	23	28.9 Å²	28.9	12%	0.123	17%	0.169	C	C	.	.			trans	-127.7	30.3	179	66.8	-46.9	0	0	0	112	T101 D103 G106 G136 A159 N163	T101-N161 HydrophobicContact CG2-CB 3.77Å; T101-N161 CarbonylContact O-C 3.29Å; D103-N161 PolarHBondContact O-ND2 3.23Å; G106-N161 WeakPolarHBondContact CA-ND2 3.44Å; G136-N161 WeakPolarHBondContact CA-OD1 3.48Å; A159-N161 VanDerWaalsContact C-N 3.31Å; A159-N161 PolarHBondContact O-N 2.94Å; N161-N163 VanDerWaalsContact C-N 3.33Å
162	D	81.7	Confident	88.9	Confident	25 Å²	25	28.8 Å²	28.8	13%	0.134	17%	0.168	C	C	.	.	S	Bend	trans	-81.2	-6.8	177.6	54.3	18.7	0	0	0	114.1	A164 H166	D162-A164 VanDerWaalsContact OD1-CB 3.24Å; D162-A164 WeakPolarHBondContact OD1-CB 3.41Å; D162-A164 PolarHBondContact OD1-N 3.03Å; D162-H166 IonicContact OD1-CE1 2.71Å; D162-H166 IonicContact OD1-NE2 3.77Å; D162-H166 PolarHBondContact OD1-NE2 2.96Å; D162-H166 IonicContact OD2-CE1 2.63Å; D162-H166 PolarHBondContact OD2-CE1 2.69Å; D162-H166 IonicContact OD2-NE2 3.95Å; D162-H166 PolarHBondContact OD2-NE2 3.01Å
163	N	81.2	Confident	88.8	Confident	40 Å²	40	23.1 Å²	23.1	21%	0.214	15%	0.148	C	C	.	.	S	Bend	trans	74.6	33.1	-169.7	-168.5	79.6	0	0	0	115.4	I100 T101 N161 I283	I100-N163 WeakPolarHBondContact CD1-O 3.41Å; T101-N163 WeakPolarHBondContact O-CA 3.25Å; T101-N163 PolarHBondContact O-N 2.87Å; T101-N163 VanDerWaalsContact O-N 3.15Å; N161-N163 VanDerWaalsContact C-N 3.33Å; N163-I283 VanDerWaalsContact ND2-CD1 3.33Å; N163-I283 WeakPolarHBondContact ND2-CD1 3.47Å; N163-I283 WeakPolarHBondContact OD1-CD1 3.42Å
164	A	79.7	Confident	88.6	Confident	2 Å²	2	22.3 Å²	22.3	2%	0.017	14%	0.144	C	C	.	.	S	Bend	trans	-95.3	165.6	163.7	0	0	0	0	0	112.7	I100 D162 D454	I100-A164 WeakPolarHBondContact CA-O 3.28Å; I100-A164 VanDerWaalsContact CB-O 3.28Å; I100-A164 WeakPolarHBondContact CB-O 3.02Å; I100-A164 WeakPolarHBondContact CG1-O 3.5Å; D162-A164 VanDerWaalsContact OD1-CB 3.24Å; D162-A164 WeakPolarHBondContact OD1-CB 3.41Å; D162-A164 PolarHBondContact OD1-N 3.03Å; A164-D454 HydrophobicContact CB-CB 3.65Å
165	W	84.6	Confident	88.2	Confident	27 Å²	27	19.1 Å²	19.1	10%	0.102	12%	0.123	C	C	.	.			trans	-85.7	110.2	163	-80.7	114.1	0	0	0	108.9	Q98 F99 I100 C232 D234 C258	Q98-W165 HydrophobicContact CB-CE3 3.94Å; Q98-W165 HydrophobicContact CB-CZ3 4.32Å; F99-W165 VanDerWaalsContact C-CE3 3.45Å; F99-W165 WeakPolarHBondContact O-CA 3.25Å; I100-W165 HydrophobicContact CB-CD2 3.87Å; I100-W165 HydrophobicContact CB-CE3 3.84Å; I100-W165 HydrophobicContact CB-CG 4.35Å; I100-W165 HydrophobicContact CB-CZ3 4.2Å; I100-W165 HydrophobicContact CG2-CD2 3.81Å; I100-W165 HydrophobicContact CG2-CE3 3.72Å; I100-W165 HydrophobicContact CG2-CH2 3.56Å; I100-W165 HydrophobicContact CG2-CZ2 3.63Å; I100-W165 HydrophobicContact CG2-CZ3 3.6Å; W165-C232 HydrophobicContact CH2-CB 3.84Å; W165-C232 HydrophobicContact CZ3-CB 4.48Å; W165-D234 HydrophobicContact CE3-CB 4.46Å; W165-D234 HydrophobicContact CH2-CB 3.79Å; W165-D234 HydrophobicContact CZ2-CB 4.42Å; W165-D234 HydrophobicContact CZ3-CB 3.81Å; W165-C258 HydrophobicContact CH2-CB 4.31Å; W165-C258 HydrophobicContact CZ2-CB 4.07Å
166	H	89.2	Confident	87.8	Confident	4 Å²	4	19.7 Å²	19.7	2%	0.019	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	143.9	173.9	-59.8	-76	0	0	0	112	Q98 F99 L160 D162 D187	Q98-H166 VanDerWaalsContact CA-O 3.25Å; Q98-H166 WeakPolarHBondContact CA-O 3.27Å; F99-H166 HydrophobicContact CD1-CB 4.42Å; F99-H166 HydrophobicContact CE1-CB 4Å; F99-H166 HydrophobicContact CZ-CB 4.42Å; F99-H166 PolarHBondContact N-O 3.17Å; F99-H166 PolarHBondContact O-N 2.58Å; L160-H166 WeakPolarHBondContact CA-NE2 3.36Å; D162-H166 IonicContact OD1-CE1 2.71Å; D162-H166 IonicContact OD1-NE2 3.77Å; D162-H166 PolarHBondContact OD1-NE2 2.96Å; D162-H166 IonicContact OD2-CE1 2.63Å; D162-H166 PolarHBondContact OD2-CE1 2.69Å; D162-H166 IonicContact OD2-NE2 3.95Å; D162-H166 PolarHBondContact OD2-NE2 3.01Å; H166-D187 WeakPolarHBondContact CA-OD1 3.49Å; H166-D187 WeakPolarHBondContact CB-OD1 3.17Å; H166-D187 IonicContact CE1-OD2 3.57Å; H166-D187 IonicContact CG-OD1 2.69Å; H166-D187 IonicContact CG-OD2 3.89Å; H166-D187 IonicContact ND1-OD1 2.73Å; H166-D187 IonicContact ND1-OD2 3.33Å; H166-D187 PolarHBondContact ND1-OD2 2.88Å
167	Y	92.5	Very high	87.4	Confident	36 Å²	36	21.2 Å²	21.2	14%	0.141	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.5	167.9	-73.6	-104.1	0	0	0	110.4	Q98 I186 D187 R188 E456	Q98-Y167 VanDerWaalsContact CD-CZ 3.49Å; Q98-Y167 HydrophobicContact CG-CD1 3.72Å; Q98-Y167 HydrophobicContact CG-CD2 4.2Å; Q98-Y167 HydrophobicContact CG-CE1 3.67Å; Q98-Y167 HydrophobicContact CG-CE2 4.14Å; Q98-Y167 HydrophobicContact CG-CG 4Å; Q98-Y167 PolarHBondContact NE2-OH 2.96Å; Q98-Y167 VanDerWaalsContact NE2-OH 3.09Å; Y167-I186 CarbonylContact O-C 3.49Å; Y167-I186 WeakPolarHBondContact O-CA 3.12Å; Y167-D187 PolarHBondContact N-OD1 2.82Å; Y167-D187 PolarHBondContact O-N 2.78Å; Y167-R188 VanDerWaalsContact CD1-NE 3.35Å; Y167-E456 WeakPolarHBondContact CE2-OE1 3.17Å; Y167-E456 PolarHBondContact OH-OE1 3.06Å
168	V	95.8	Very high	86.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.5	171.2	178.2	0	0	0	0	108.4	G96 F97 F99 I138 I170 L184	G96-V168 CarbonylContact C-O 3.6Å; G96-V168 VanDerWaalsContact CA-O 3.32Å; G96-V168 WeakPolarHBondContact CA-O 3.49Å; F97-V168 HydrophobicContact CD1-CB 4.5Å; F97-V168 HydrophobicContact CD2-CB 3.98Å; F97-V168 HydrophobicContact CD2-CG2 4.24Å; F97-V168 HydrophobicContact CE1-CB 4.19Å; F97-V168 HydrophobicContact CE1-CG1 3.95Å; F97-V168 HydrophobicContact CE2-CB 3.63Å; F97-V168 HydrophobicContact CE2-CG1 4.05Å; F97-V168 HydrophobicContact CE2-CG2 3.67Å; F97-V168 HydrophobicContact CG-CB 4.41Å; F97-V168 HydrophobicContact CZ-CB 3.75Å; F97-V168 HydrophobicContact CZ-CG1 3.63Å; F97-V168 HydrophobicContact CZ-CG2 4.09Å; F97-V168 PolarHBondContact N-O 2.91Å; F97-V168 PolarHBondContact O-N 2.93Å; F99-V168 HydrophobicContact CD1-CG2 3.75Å; F99-V168 HydrophobicContact CE1-CG2 3.5Å; I138-V168 HydrophobicContact CD1-CB 4.17Å; I138-V168 HydrophobicContact CD1-CG1 3.55Å; I138-V168 HydrophobicContact CD1-CG2 3.48Å; I138-V168 VanDerWaalsContact CD1-CG2 3.48Å; V168-I170 HydrophobicContact CG1-CG1 4.11Å; V168-L184 HydrophobicContact CG1-CD1 3.96Å
169	D	96.9	Very high	86.9	Confident	3 Å²	3	18.5 Å²	18.5	2%	0.016	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117	175.3	-63.2	-73.7	0	0	0	109.6	H94 F171 L185 R188 F400	H94-D169 IonicContact CD2-OD1 2.95Å; H94-D169 IonicContact CE1-OD1 2.69Å; H94-D169 PolarHBondContact CE1-OD1 2.98Å; H94-D169 VanDerWaalsContact CE1-OD1 3.32Å; H94-D169 IonicContact NE2-OD1 3.22Å; H94-D169 PolarHBondContact NE2-OD1 3.1Å; D169-F171 HydrophobicContact CB-CE2 3.89Å; D169-L185 HydrophobicContact CB-CB 4.2Å; D169-L185 HydrophobicContact CB-CD2 4.3Å; D169-L185 PolarHBondContact N-O 3.47Å; D169-L185 PolarHBondContact O-N 3.5Å; D169-R188 WeakPolarHBondContact OD2-CG 3.05Å; D169-R188 IonicContact OD2-NE 2.82Å; D169-F400 HydrophobicContact CB-CE2 4.03Å
170	I	96.7	Very high	86.9	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.1	176.9	-45.5	173.5	0	0	0	108	H94 I95 F97 A131 V140 V168 L172 V183 L184	H94-I170 CarbonylContact C-O 3.48Å; H94-I170 WeakPolarHBondContact CA-O 3.48Å; I95-I170 HydrophobicContact CB-CB 4.29Å; I95-I170 PolarHBondContact N-O 2.81Å; I95-I170 PolarHBondContact O-N 3.3Å; F97-I170 HydrophobicContact CE1-CD1 4.34Å; A131-I170 HydrophobicContact CB-CD1 4.17Å; V140-I170 HydrophobicContact CG1-CD1 4.27Å; V140-I170 HydrophobicContact CG1-CG2 4.16Å; V140-I170 HydrophobicContact CG2-CD1 3.68Å; V140-I170 HydrophobicContact CG2-CG1 4.08Å; V168-I170 HydrophobicContact CG1-CG1 4.11Å; I170-L172 HydrophobicContact CG2-CD1 4.09Å; I170-V183 CarbonylContact C-O 3.6Å; I170-V183 WeakPolarHBondContact CA-O 3.42Å; I170-L184 HydrophobicContact CG1-CD1 4.22Å
171	F	95.4	Very high	87	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.4	174.2	-66.3	-90.4	0	0	0	111.6	T92 V93 H94 D169 L182 V183 F400 Y417	T92-F171 HydrophobicContact CG2-CD1 4.18Å; V93-F171 CarbonylContact O-C 3.57Å; V93-F171 VanDerWaalsContact O-CA 3.27Å; V93-F171 WeakPolarHBondContact O-CA 3.48Å; H94-F171 HydrophobicContact CB-CD1 3.92Å; H94-F171 HydrophobicContact CB-CE1 3.64Å; H94-F171 HydrophobicContact CB-CZ 4.41Å; H94-F171 AromaticContact CD2-CE1 3.55Å; H94-F171 AromaticContact CD2-CE2 3.89Å; H94-F171 AromaticContact CD2-CZ 3.45Å; H94-F171 VanDerWaalsContact CD2-CZ 3.45Å; H94-F171 WeakPolarHBondContact CD2-CZ 3.45Å; H94-F171 AromaticContact CG-CE1 3.56Å; H94-F171 AromaticContact CG-CZ 3.84Å; H94-F171 AromaticContact NE2-CZ 3.81Å; D169-F171 HydrophobicContact CB-CE2 3.89Å; F171-L182 WeakPolarHBondContact O-CA 3.46Å; F171-V183 HydrophobicContact CB-CB 4.32Å; F171-V183 PolarHBondContact N-O 2.79Å; F171-V183 PolarHBondContact O-N 3.02Å; F171-F400 HydrophobicContact CE2-CD2 4.3Å; F171-F400 AromaticContact CE2-CE2 3.99Å; F171-F400 HydrophobicContact CE2-CE2 3.99Å; F171-F400 HydrophobicContact CZ-CD2 4.35Å; F171-F400 AromaticContact CZ-CE2 3.82Å; F171-F400 HydrophobicContact CZ-CE2 3.82Å; F171-Y417 HydrophobicContact CB-CD1 3.75Å; F171-Y417 HydrophobicContact CB-CE1 3.63Å; F171-Y417 AromaticContact CD1-CD1 3.69Å; F171-Y417 HydrophobicContact CD1-CD1 3.69Å; F171-Y417 HydrophobicContact CD1-CE1 4.19Å; F171-Y417 AromaticContact CD2-CD1 3.57Å; F171-Y417 HydrophobicContact CD2-CD1 3.57Å; F171-Y417 HydrophobicContact CD2-CE1 4.34Å; F171-Y417 HydrophobicContact CD2-CG 4.06Å; F171-Y417 HydrophobicContact CE1-CD1 4.11Å; F171-Y417 HydrophobicContact CE2-CD1 4.02Å; F171-Y417 HydrophobicContact CE2-CG 4.29Å; F171-Y417 AromaticContact CG-CD1 3.38Å; F171-Y417 HydrophobicContact CG-CD1 3.38Å; F171-Y417 AromaticContact CG-CE1 3.82Å; F171-Y417 HydrophobicContact CG-CE1 3.82Å; F171-Y417 HydrophobicContact CG-CG 4.31Å; F171-Y417 HydrophobicContact CZ-CD1 4.27Å
172	L	92.9	Very high	87.3	Confident	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114.4	168.6	-68.8	89.3	0	0	0	108.6	M85 V93 I129 F142 I170 L182	M85-L172 HydrophobicContact CE-CB 4.18Å; M85-L172 HydrophobicContact CE-CD2 4.38Å; M85-L172 HydrophobicContact SD-CB 4.43Å; V93-L172 HydrophobicContact CB-CB 4.38Å; V93-L172 PolarHBondContact N-O 3.3Å; V93-L172 PolarHBondContact O-N 2.79Å; I129-L172 HydrophobicContact CD1-CD1 3.51Å; I129-L172 HydrophobicContact CD1-CD2 3.77Å; I129-L172 HydrophobicContact CD1-CG 4.32Å; I129-L172 HydrophobicContact CG1-CD1 4.45Å; I129-L172 HydrophobicContact CG1-CD2 4.25Å; F142-L172 HydrophobicContact CD1-CD2 4.41Å; F142-L172 HydrophobicContact CD2-CD2 4.35Å; F142-L172 HydrophobicContact CE1-CD2 4.28Å; F142-L172 HydrophobicContact CE2-CD2 4.23Å; F142-L172 HydrophobicContact CG-CD2 4.45Å; F142-L172 HydrophobicContact CZ-CD2 4.2Å; I170-L172 HydrophobicContact CG2-CD1 4.09Å; L172-L182 HydrophobicContact CD2-CG 4.42Å; L172-L182 HydrophobicContact CG-CG 4.29Å
173	N	90.7	Very high	87.9	Confident	9 Å²	9	15.3 Å²	15.3	5%	0.048	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.4	-179.1	-89.9	-6.4	0	0	0	110.4	H91 T92 W180 N181 Y417	H91-N173 WeakPolarHBondContact O-CA 2.91Å; T92-N173 WeakPolarHBondContact CA-OD1 3.4Å; T92-N173 WeakPolarHBondContact CB-OD1 3.48Å; T92-N173 VanDerWaalsContact CG2-OD1 3.24Å; T92-N173 WeakPolarHBondContact CG2-OD1 3.02Å; T92-N173 PolarHBondContact OG1-OD1 3.12Å; N173-W180 WeakPolarHBondContact O-CA 3Å; N173-N181 HydrophobicContact CB-CB 4.31Å; N173-N181 PolarHBondContact N-O 3.13Å; N173-N181 PolarHBondContact O-N 3.35Å; N173-Y417 VanDerWaalsContact ND2-CE1 3.32Å; N173-Y417 WeakPolarHBondContact ND2-CE1 3.47Å; N173-Y417 PolarHBondContact ND2-OH 2.76Å
174	T	88.2	Confident	88.7	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	158.9	171	75.8	0	0	0	0	110.9	M85 N86 Q90 H91 W180	M85-T174 HydrophobicContact CB-CG2 4.07Å; M85-T174 HydrophobicContact CG-CG2 4.42Å; M85-T174 HydrophobicContact SD-CG2 3.88Å; N86-T174 VanDerWaalsContact O-CB 3.29Å; N86-T174 WeakPolarHBondContact O-CB 3.42Å; N86-T174 WeakPolarHBondContact O-CG2 3.2Å; N86-T174 PolarHBondContact O-OG1 3.46Å; Q90-T174 WeakPolarHBondContact CA-OG1 3.28Å; Q90-T174 WeakPolarHBondContact CB-O 3.05Å; Q90-T174 WeakPolarHBondContact CG-O 3.11Å; Q90-T174 PolarHBondContact NE2-O 2.03Å; H91-T174 PolarHBondContact N-OG1 2.82Å; H91-T174 PolarHBondContact O-N 3.41Å; T174-W180 HydrophobicContact CG2-CD2 4.08Å; T174-W180 HydrophobicContact CG2-CE3 3.63Å; T174-W180 HydrophobicContact CG2-CH2 3.45Å; T174-W180 VanDerWaalsContact CG2-CH2 3.45Å; T174-W180 HydrophobicContact CG2-CZ2 3.95Å; T174-W180 HydrophobicContact CG2-CZ3 3.3Å
175	Q	81.2	Confident	89.4	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.			trans	-143.9	151.2	-175	-50.7	171.3	55.3	0	0	109.4	N177 G178 E179 Y667	Q175-N177 PolarHBondContact O-N 2.69Å; Q175-G178 PolarHBondContact O-N 3.41Å; Q175-E179 HydrophobicContact CB-CB 4.41Å; Q175-E179 VanDerWaalsContact CB-O 3.31Å; Q175-E179 WeakPolarHBondContact CB-O 3.36Å; Q175-E179 WeakPolarHBondContact CG-O 3.32Å; Q175-E179 PolarHBondContact N-O 3.38Å; Q175-E179 PolarHBondContact NE2-OE2 2.82Å; Q175-E179 PolarHBondContact OE1-OE2 2.73Å; Q175-Y667 HydrophobicContact CB-CE1 3.9Å; Q175-Y667 HydrophobicContact CG-CE1 4.48Å
176	V	75	Confident	89.8	Confident	96 Å²	96	12.5 Å²	12.5	58%	0.582	7%	0.069	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-20.8	-164.7	-173.6	0	0	0	0	114	T87	T87-V176 WeakPolarHBondContact O-CA 3.38Å
177	N	76.7	Confident	89.9	Confident	78 Å²	78	13.4 Å²	13.4	42%	0.417	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.8	175.6	82.7	3.9	0	0	0	115.3	Q175 E179 Y667 Q668	Q175-N177 PolarHBondContact O-N 2.69Å; N177-E179 PolarHBondContact OD1-N 2.81Å; N177-Y667 HydrophobicContact CB-CE1 4.44Å; N177-Y667 VanDerWaalsContact CG-OH 3.3Å; N177-Y667 PolarHBondContact N-OH 3.41Å; N177-Y667 WeakPolarHBondContact ND2-CE1 3.32Å; N177-Y667 WeakPolarHBondContact OD1-CE1 3.4Å; N177-Y667 PolarHBondContact OD1-OH 2.98Å; N177-Q668 PolarHBondContact ND2-OE1 3.04Å
178	G	76.2	Confident	89.8	Confident	5 Å²	5	12.8 Å²	12.8	5%	0.052	7%	0.071	C	C	.	.	S	Bend	trans	97.1	5.7	-176.3	0	0	0	0	0	116	Q175 W180 L205	Q175-G178 PolarHBondContact O-N 3.41Å; G178-W180 PolarHBondContact O-NE1 3.06Å; G178-L205 PolarHBondContact O-N 2.87Å
179	E	84.4	Confident	89.5	Confident	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.5	166.5	-164.5	-178	-104	0	0	112.1	Q175 N177 T202 M204 Y667 Q668	Q175-E179 HydrophobicContact CB-CB 4.41Å; Q175-E179 VanDerWaalsContact CB-O 3.31Å; Q175-E179 WeakPolarHBondContact CB-O 3.36Å; Q175-E179 WeakPolarHBondContact CG-O 3.32Å; Q175-E179 PolarHBondContact N-O 3.38Å; Q175-E179 PolarHBondContact NE2-OE2 2.82Å; Q175-E179 PolarHBondContact OE1-OE2 2.73Å; N177-E179 PolarHBondContact OD1-N 2.81Å; E179-T202 VanDerWaalsContact CD-OG1 3.28Å; E179-T202 HydrophobicContact CG-CG2 4.41Å; E179-T202 WeakPolarHBondContact OE1-CB 2.98Å; E179-T202 PolarHBondContact OE1-OG1 3.34Å; E179-T202 WeakPolarHBondContact OE2-CG2 3Å; E179-M204 HydrophobicContact CB-SD 3.52Å; E179-M204 VanDerWaalsContact CB-SD 3.52Å; E179-M204 HydrophobicContact CG-SD 3.72Å; E179-Y667 HydrophobicContact CB-CD1 4.05Å; E179-Y667 HydrophobicContact CB-CE1 3.77Å; E179-Y667 VanDerWaalsContact OE2-CA 3.28Å; E179-Y667 WeakPolarHBondContact OE2-CA 3.22Å; E179-Y667 WeakPolarHBondContact OE2-CD1 3.44Å; E179-Y667 PolarHBondContact OE2-N 3.01Å; E179-Y667 VanDerWaalsContact OE2-N 3.1Å; E179-Q668 WeakPolarHBondContact OE1-CB 3.47Å; E179-Q668 WeakPolarHBondContact OE1-CG 3.44Å; E179-Q668 PolarHBondContact OE1-NE2 3.18Å
180	W	88.2	Confident	88.8	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.6	172.2	-58.3	65.5	0	0	0	107.2	M85 T87 N173 T174 G178 L182 T202 M203 L205 I210	M85-W180 HydrophobicContact CB-CH2 3.74Å; M85-W180 HydrophobicContact CB-CZ3 3.77Å; M85-W180 HydrophobicContact CE-CE3 4.38Å; M85-W180 HydrophobicContact CE-CZ3 3.7Å; M85-W180 HydrophobicContact CG-CZ3 4.39Å; M85-W180 HydrophobicContact SD-CE3 4.41Å; M85-W180 HydrophobicContact SD-CZ3 3.69Å; T87-W180 HydrophobicContact CG2-CZ2 3.73Å; N173-W180 WeakPolarHBondContact O-CA 3Å; T174-W180 HydrophobicContact CG2-CD2 4.08Å; T174-W180 HydrophobicContact CG2-CE3 3.63Å; T174-W180 HydrophobicContact CG2-CH2 3.45Å; T174-W180 VanDerWaalsContact CG2-CH2 3.45Å; T174-W180 HydrophobicContact CG2-CZ2 3.95Å; T174-W180 HydrophobicContact CG2-CZ3 3.3Å; G178-W180 PolarHBondContact O-NE1 3.06Å; W180-L182 HydrophobicContact CB-CD1 4.27Å; W180-T202 WeakPolarHBondContact O-CA 3.21Å; W180-M203 HydrophobicContact CB-CB 4.47Å; W180-M203 WeakPolarHBondContact CB-O 3.29Å; W180-M203 PolarHBondContact N-O 3.27Å; W180-M203 PolarHBondContact O-N 2.73Å; W180-L205 HydrophobicContact CD2-CD1 4.16Å; W180-L205 HydrophobicContact CG-CD1 4.2Å; W180-I210 HydrophobicContact CE3-CD1 4.06Å; W180-I210 HydrophobicContact CH2-CB 4.22Å; W180-I210 HydrophobicContact CH2-CD1 3.67Å; W180-I210 HydrophobicContact CH2-CG1 3.57Å; W180-I210 HydrophobicContact CH2-CG2 3.83Å; W180-I210 HydrophobicContact CZ2-CD1 4.49Å; W180-I210 HydrophobicContact CZ2-CG1 4.49Å; W180-I210 HydrophobicContact CZ2-CG2 3.92Å; W180-I210 HydrophobicContact CZ3-CD1 3.38Å; W180-I210 HydrophobicContact CZ3-CG1 3.74Å
181	N	91.2	Very high	87.9	Confident	16 Å²	16	14.5 Å²	14.5	9%	0.086	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.9	173.7	-179.9	-10.9	0	0	0	107.9	N173 V183	N173-N181 HydrophobicContact CB-CB 4.31Å; N173-N181 PolarHBondContact N-O 3.13Å; N173-N181 PolarHBondContact O-N 3.35Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.48Å
182	L	94.4	Very high	87.1	Confident	3 Å²	3	16.2 Å²	16.2	2%	0.016	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.6	176	-74.4	78.9	0	0	0	108.1	F142 L151 F171 L172 W180 N200 D201 M203	F142-L182 HydrophobicContact CB-CD2 3.51Å; F142-L182 HydrophobicContact CD1-CD1 4.18Å; F142-L182 HydrophobicContact CD1-CD2 3.8Å; F142-L182 HydrophobicContact CD1-CG 4.49Å; F142-L182 HydrophobicContact CG-CD2 3.97Å; L151-L182 HydrophobicContact CD1-CB 3.75Å; L151-L182 HydrophobicContact CD1-CD2 3.92Å; L151-L182 HydrophobicContact CD1-CG 4.49Å; L151-L182 HydrophobicContact CD2-CB 4.06Å; F171-L182 WeakPolarHBondContact O-CA 3.46Å; L172-L182 HydrophobicContact CD2-CG 4.42Å; L172-L182 HydrophobicContact CG-CG 4.29Å; W180-L182 HydrophobicContact CB-CD1 4.27Å; L182-N200 WeakPolarHBondContact O-CA 3.17Å; L182-N200 VanDerWaalsContact O-CB 3.3Å; L182-N200 WeakPolarHBondContact O-CB 3.38Å; L182-D201 PolarHBondContact N-O 3.26Å; L182-D201 PolarHBondContact O-N 2.84Å; L182-M203 HydrophobicContact CD1-CB 4.06Å
183	V	95.9	Very high	86.3	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.9	174.6	-171.9	0	0	0	0	109.3	I170 F171 N181 M198 V199 N200 Y417	I170-V183 CarbonylContact C-O 3.6Å; I170-V183 WeakPolarHBondContact CA-O 3.42Å; F171-V183 HydrophobicContact CB-CB 4.32Å; F171-V183 PolarHBondContact N-O 2.79Å; F171-V183 PolarHBondContact O-N 3.02Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.48Å; V183-M198 HydrophobicContact CG1-CE 4.44Å; V183-M198 HydrophobicContact CG1-CG 3.73Å; V183-M198 HydrophobicContact CG1-SD 3.94Å; V183-V199 WeakPolarHBondContact CA-O 3.41Å; V183-N200 HydrophobicContact CB-CB 4.42Å; V183-N200 HydrophobicContact CG1-CB 4.42Å; V183-N200 HydrophobicContact CG2-CB 3.89Å; V183-Y417 HydrophobicContact CB-CE2 4.32Å; V183-Y417 HydrophobicContact CG1-CD2 4.3Å; V183-Y417 HydrophobicContact CG1-CE2 4.34Å; V183-Y417 HydrophobicContact CG2-CD2 4.35Å; V183-Y417 HydrophobicContact CG2-CE1 4.24Å; V183-Y417 HydrophobicContact CG2-CE2 3.61Å; V183-Y417 WeakPolarHBondContact CG2-OH 3.27Å
184	L	96.6	Very high	85.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.1	173.5	170.9	59.4	0	0	0	108	I138 V140 L151 F153 V168 I170 M198 V199	I138-L184 HydrophobicContact CG2-CD2 4.32Å; V140-L184 HydrophobicContact CB-CD2 4.28Å; V140-L184 HydrophobicContact CG2-CD1 3.79Å; V140-L184 HydrophobicContact CG2-CD2 3.87Å; V140-L184 HydrophobicContact CG2-CG 4.32Å; L151-L184 HydrophobicContact CB-CB 4.4Å; L151-L184 HydrophobicContact CB-CD2 4.29Å; L151-L184 HydrophobicContact CD2-CB 3.72Å; F153-L184 HydrophobicContact CD2-CD2 4.09Å; F153-L184 HydrophobicContact CE2-CD2 3.64Å; F153-L184 HydrophobicContact CE2-CG 3.69Å; F153-L184 HydrophobicContact CZ-CG 4.24Å; V168-L184 HydrophobicContact CG1-CD1 3.96Å; I170-L184 HydrophobicContact CG1-CD1 4.22Å; L184-M198 CarbonylContact O-C 3.5Å; L184-M198 WeakPolarHBondContact O-CA 3.5Å; L184-V199 PolarHBondContact N-O 2.94Å; L184-V199 PolarHBondContact O-N 2.75Å
185	L	95.1	Very high	85.5	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.3	-176.6	-173.7	79.2	0	0	0	109	D169 C189 C197 M198 F400	D169-L185 HydrophobicContact CB-CB 4.2Å; D169-L185 HydrophobicContact CB-CD2 4.3Å; D169-L185 PolarHBondContact N-O 3.47Å; D169-L185 PolarHBondContact O-N 3.5Å; L185-C189 HydrophobicContact CD1-CB 4.15Å; L185-C189 WeakPolarHBondContact CD1-SG 3.45Å; L185-C197 WeakPolarHBondContact CA-O 3.09Å; L185-M198 HydrophobicContact CD1-CB 3.81Å; L185-M198 HydrophobicContact CD1-CG 3.76Å; L185-M198 HydrophobicContact CD1-SD 4.46Å; L185-F400 HydrophobicContact CD2-CB 3.89Å; L185-F400 HydrophobicContact CD2-CD2 3.42Å; L185-F400 VanDerWaalsContact CD2-CD2 3.42Å; L185-F400 HydrophobicContact CD2-CE2 4.19Å; L185-F400 HydrophobicContact CD2-CG 3.95Å
186	I	93.7	Very high	86	Confident	9 Å²	9	28.7 Å²	28.7	5%	0.046	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.2	175.7	59.6	175.7	0	0	0	110.7	I138 F153 L160 Y167 R188 C189 C197	I138-I186 HydrophobicContact CG2-CG2 3.53Å; F153-I186 HydrophobicContact CD1-CD1 4.49Å; F153-I186 HydrophobicContact CE1-CD1 4.04Å; F153-I186 HydrophobicContact CE1-CG1 4.17Å; F153-I186 HydrophobicContact CE2-CD1 4.29Å; F153-I186 HydrophobicContact CE2-CG1 4.37Å; F153-I186 HydrophobicContact CE2-CG2 3.61Å; F153-I186 HydrophobicContact CZ-CB 4.33Å; F153-I186 HydrophobicContact CZ-CD1 3.94Å; F153-I186 HydrophobicContact CZ-CG1 3.78Å; F153-I186 HydrophobicContact CZ-CG2 3.76Å; L160-I186 HydrophobicContact CD1-CG2 4.01Å; L160-I186 HydrophobicContact CD2-CD1 4.43Å; Y167-I186 CarbonylContact O-C 3.49Å; Y167-I186 WeakPolarHBondContact O-CA 3.12Å; I186-R188 PolarHBondContact O-N 2.73Å; I186-C189 PolarHBondContact O-N 2.71Å; I186-C197 HydrophobicContact CG1-CB 4.1Å; I186-C197 WeakPolarHBondContact CG1-O 3.28Å; I186-C197 PolarHBondContact N-O 3.27Å
187	D	89.9	Confident	86.8	Confident	22 Å²	22	24.7 Å²	24.7	12%	0.118	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	47.5	31.6	-179.4	-63.6	-34.8	0	0	0	113.9	H166 Y167 C189 K190 Y191	H166-D187 WeakPolarHBondContact CA-OD1 3.49Å; H166-D187 WeakPolarHBondContact CB-OD1 3.17Å; H166-D187 IonicContact CE1-OD2 3.57Å; H166-D187 IonicContact CG-OD1 2.69Å; H166-D187 IonicContact CG-OD2 3.89Å; H166-D187 IonicContact ND1-OD1 2.73Å; H166-D187 IonicContact ND1-OD2 3.33Å; H166-D187 PolarHBondContact ND1-OD2 2.88Å; Y167-D187 PolarHBondContact N-OD1 2.82Å; Y167-D187 PolarHBondContact O-N 2.78Å; D187-C189 PolarHBondContact O-N 3.43Å; D187-K190 WeakPolarHBondContact O-CB 3.2Å; D187-K190 PolarHBondContact O-N 3.44Å; D187-Y191 HydrophobicContact CB-CD2 4.17Å; D187-Y191 HydrophobicContact CB-CE2 4.41Å
188	R	90.6	Very high	87.7	Confident	23 Å²	23	22.7 Å²	22.7	9%	0.087	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	53.7	21	-176.2	-63	168.9	169.6	-154.5	-16.9	113.6	Y167 D169 I186 K190 T395 T397 F400 D402	Y167-R188 VanDerWaalsContact CD1-NE 3.35Å; D169-R188 WeakPolarHBondContact OD2-CG 3.05Å; D169-R188 IonicContact OD2-NE 2.82Å; I186-R188 PolarHBondContact O-N 2.73Å; R188-K190 PolarHBondContact O-N 3.23Å; R188-T395 PolarHBondContact NH1-OG1 2.79Å; R188-T397 HydrophobicContact CB-CG2 4.12Å; R188-T397 VanDerWaalsContact O-CB 3.31Å; R188-T397 WeakPolarHBondContact O-CB 3.35Å; R188-T397 VanDerWaalsContact O-CG2 3.25Å; R188-T397 WeakPolarHBondContact O-CG2 3.38Å; R188-T397 PolarHBondContact O-OG1 2.73Å; R188-F400 HydrophobicContact CB-CB 4.22Å; R188-F400 HydrophobicContact CB-CD1 3.9Å; R188-F400 HydrophobicContact CB-CE1 4.42Å; R188-F400 HydrophobicContact CB-CG 4.1Å; R188-F400 HydrophobicContact CG-CD1 3.71Å; R188-F400 HydrophobicContact CG-CE1 3.71Å; R188-F400 HydrophobicContact CG-CG 4.13Å; R188-F400 HydrophobicContact CG-CZ 4.14Å; R188-F400 VanDerWaalsContact CZ-CE1 3.47Å; R188-D402 IonicContact CZ-OD2 3.66Å; R188-D402 IonicContact NH1-OD2 2.86Å; R188-D402 PolarHBondContact NH1-OD2 3.25Å; R188-D402 IonicContact NH2-OD2 2.85Å; R188-D402 PolarHBondContact NH2-OD2 3.03Å
189	C	89.4	Confident	88.6	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.007	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	57	26.8	-165.1	-81.5	0	0	0	0	115.4	L185 I186 D187 Y191 S192 C197 R399	L185-C189 HydrophobicContact CD1-CB 4.15Å; L185-C189 WeakPolarHBondContact CD1-SG 3.45Å; I186-C189 PolarHBondContact O-N 2.71Å; D187-C189 PolarHBondContact O-N 3.43Å; C189-Y191 PolarHBondContact O-N 2.04Å; C189-Y191 VanDerWaalsContact O-N 3.12Å; C189-S192 PolarHBondContact O-N 2.93Å; C189-C197 VanDerWaalsContact CA-SG 3.52Å; C189-C197 HydrophobicContact CB-CB 4Å; C189-C197 WeakPolarHBondContact CB-SG 3.24Å; C189-C197 VanDerWaalsContact SG-C 3.52Å; C189-C197 WeakPolarHBondContact SG-CB 3.33Å; C189-C197 CovalentContact SG-SG 2.03Å; C189-C197 PolarHBondContact SG-SG 3.24Å; C189-R399 HydrophobicContact CB-CB 4.22Å; C189-R399 VanDerWaalsContact SG-CD 3.57Å
190	K	81.6	Confident	89.1	Confident	20 Å²	20	27.9 Å²	27.9	9%	0.087	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.1	173.3	-173.2	174.1	169	-175.5	0	112.3	D187 R188 N336 D447 R449 F455	D187-K190 WeakPolarHBondContact O-CB 3.2Å; D187-K190 PolarHBondContact O-N 3.44Å; R188-K190 PolarHBondContact O-N 3.23Å; K190-N336 HydrophobicContact CD-CB 4.39Å; K190-N336 HydrophobicContact CG-CB 4.3Å; K190-D447 WeakPolarHBondContact CE-OD2 3.45Å; K190-D447 IonicContact NZ-OD1 3.6Å; K190-D447 IonicContact NZ-OD2 3.08Å; K190-D447 PolarHBondContact NZ-OD2 3.37Å; K190-R449 PolarHBondContact O-NE 2.9Å; K190-R449 PolarHBondContact O-NH2 2.85Å; K190-F455 PolarHBondContact NZ-O 3.07Å
191	Y	77.8	Confident	89.4	Confident	20 Å²	20	30.5 Å²	30.5	8%	0.078	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	41.1	-176.3	-47.7	-65.7	0	0	0	114.2	D187 C189 E193 L194 P453	D187-Y191 HydrophobicContact CB-CD2 4.17Å; D187-Y191 HydrophobicContact CB-CE2 4.41Å; C189-Y191 PolarHBondContact O-N 2.04Å; C189-Y191 VanDerWaalsContact O-N 3.12Å; Y191-E193 PolarHBondContact O-N 2.81Å; Y191-L194 HydrophobicContact CG-CD1 4.43Å; Y191-L194 PolarHBondContact O-N 3.01Å; Y191-P453 HydrophobicContact CD1-CB 4.45Å; Y191-P453 HydrophobicContact CD2-CB 3.63Å; Y191-P453 HydrophobicContact CE1-CB 4.42Å; Y191-P453 VanDerWaalsContact CE2-CA 3.46Å; Y191-P453 HydrophobicContact CE2-CB 3.58Å; Y191-P453 WeakPolarHBondContact CE2-O 3Å; Y191-P453 HydrophobicContact CG-CB 4.08Å; Y191-P453 VanDerWaalsContact OH-C 3.29Å; Y191-P453 PolarHBondContact OH-O 2.82Å
192	S	79.3	Confident	89.4	Confident	36 Å²	36	31.4 Å²	31.4	25%	0.252	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-15.8	-177.5	60.3	0	0	0	0	116.1	C189 C197	C189-S192 PolarHBondContact O-N 2.93Å; S192-C197 VanDerWaalsContact CB-SG 3.6Å
193	E	76	Confident	89.2	Confident	111 Å²	111	31.5 Å²	31.5	52%	0.519	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-20.5	171.7	57.9	-97.2	-135	0	0	115.1	Y191 R449	Y191-E193 PolarHBondContact O-N 2.81Å; E193-R449 IonicContact OE1-CZ 3.73Å; E193-R449 VanDerWaalsContact OE1-CZ 3.25Å; E193-R449 IonicContact OE1-NE 3.4Å; E193-R449 IonicContact OE1-NH1 3.97Å; E193-R449 PolarHBondContact OE1-NH1 3.41Å; E193-R449 IonicContact OE1-NH2 3.23Å; E193-R449 IonicContact OE2-CZ 3.07Å; E193-R449 IonicContact OE2-NH1 3.93Å; E193-R449 PolarHBondContact OE2-NH1 2.93Å; E193-R449 IonicContact OE2-NH2 3.32Å; E193-R449 PolarHBondContact OE2-NH2 2.93Å
194	L	78.1	Confident	88.8	Confident	86 Å²	86	36.3 Å²	36.3	45%	0.45	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.3	-179.5	-61	-176.6	0	0	0	112.6	V158 Y191 P453	V158-L194 HydrophobicContact CG2-CB 4.15Å; Y191-L194 HydrophobicContact CG-CD1 4.43Å; Y191-L194 PolarHBondContact O-N 3.01Å; L194-P453 HydrophobicContact CD1-CB 4.42Å; L194-P453 HydrophobicContact CD1-CG 4.18Å
195	G	84.7	Confident	88.1	Confident	20 Å²	20	36.7 Å²	36.7	21%	0.206	20%	0.199	C	C	.	.	S	Bend	trans	162.5	179.5	-177.8	0	0	0	0	0	112.6	C197	G195-C197 PolarHBondContact O-N 3.27Å; G195-C197 VanDerWaalsContact O-N 3.12Å
196	P	91.5	Very high	87.4	Confident	54 Å²	54	42.6 Å²	42.6	35%	0.351	24%	0.24	S	C	.	.			trans	-65.7	113	177.6	24.4	-28.6	0	0	0	110.4	F153 P154 G156 A157	F153-P196 WeakPolarHBondContact CD1-O 3.5Å; F153-P196 WeakPolarHBondContact CE1-O 3.24Å; P154-P196 HydrophobicContact CG-CB 4.29Å; P154-P196 HydrophobicContact CG-CG 3.52Å; G156-P196 WeakPolarHBondContact O-CD 3.45Å; A157-P196 HydrophobicContact CB-CG 4.25Å
197	C	92.7	Very high	86.6	Confident	13 Å²	13	44 Å²	44	9%	0.088	25%	0.249	C	C	.	.			trans	-99.9	0	-178.7	57.8	0	0	0	0	114	L185 I186 C189 S192 G195	L185-C197 WeakPolarHBondContact CA-O 3.09Å; I186-C197 HydrophobicContact CG1-CB 4.1Å; I186-C197 WeakPolarHBondContact CG1-O 3.28Å; I186-C197 PolarHBondContact N-O 3.27Å; C189-C197 VanDerWaalsContact CA-SG 3.52Å; C189-C197 HydrophobicContact CB-CB 4Å; C189-C197 WeakPolarHBondContact CB-SG 3.24Å; C189-C197 VanDerWaalsContact SG-C 3.52Å; C189-C197 WeakPolarHBondContact SG-CB 3.33Å; C189-C197 CovalentContact SG-SG 2.03Å; C189-C197 PolarHBondContact SG-SG 3.24Å; S192-C197 VanDerWaalsContact CB-SG 3.6Å; G195-C197 PolarHBondContact O-N 3.27Å; G195-C197 VanDerWaalsContact O-N 3.12Å
198	M	94.7	Very high	86.1	Confident	36 Å²	36	47.8 Å²	47.8	18%	0.177	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.2	177.2	-163.8	-167.6	87.5	0	0	110.9	V183 L184 L185 R399	V183-M198 HydrophobicContact CG1-CE 4.44Å; V183-M198 HydrophobicContact CG1-CG 3.73Å; V183-M198 HydrophobicContact CG1-SD 3.94Å; L184-M198 CarbonylContact O-C 3.5Å; L184-M198 WeakPolarHBondContact O-CA 3.5Å; L185-M198 HydrophobicContact CD1-CB 3.81Å; L185-M198 HydrophobicContact CD1-CG 3.76Å; L185-M198 HydrophobicContact CD1-SD 4.46Å; M198-R399 VanDerWaalsContact CE-NH1 3.29Å; M198-R399 PolarHBondContact SD-NH1 2.84Å; M198-R399 VanDerWaalsContact SD-NH1 3.4Å
199	V	94.9	Very high	85.7	Confident	23 Å²	23	50.1 Å²	50.1	14%	0.139	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.2	170.4	171.5	0	0	0	0	108.7	L151 F153 V183 L184	L151-V199 HydrophobicContact CB-CG1 3.95Å; L151-V199 HydrophobicContact CD2-CG1 4.3Å; L151-V199 HydrophobicContact CG-CG1 4.09Å; F153-V199 HydrophobicContact CD1-CG2 3.52Å; F153-V199 HydrophobicContact CD2-CG2 4.35Å; F153-V199 HydrophobicContact CE1-CB 4.5Å; F153-V199 HydrophobicContact CE1-CG2 3.64Å; F153-V199 HydrophobicContact CE2-CG2 4.47Å; F153-V199 HydrophobicContact CG-CG2 3.89Å; F153-V199 HydrophobicContact CZ-CG2 4.12Å; V183-V199 WeakPolarHBondContact CA-O 3.41Å; L184-V199 PolarHBondContact N-O 2.94Å; L184-V199 PolarHBondContact O-N 2.75Å
200	N	94.7	Very high	85.4	Confident	92 Å²	92	50.2 Å²	50.2	49%	0.492	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	156.6	170.6	59.3	-3.7	0	0	0	112.2	L182 V183	L182-N200 WeakPolarHBondContact O-CA 3.17Å; L182-N200 VanDerWaalsContact O-CB 3.3Å; L182-N200 WeakPolarHBondContact O-CB 3.38Å; V183-N200 HydrophobicContact CB-CB 4.42Å; V183-N200 HydrophobicContact CG1-CB 4.42Å; V183-N200 HydrophobicContact CG2-CB 3.89Å
201	D	94.1	Very high	85.6	Confident	54 Å²	54	52.8 Å²	52.8	29%	0.289	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	160.6	175.9	-175.8	23.3	0	0	0	109.1	R149 L151 L182	R149-D201 WeakPolarHBondContact CD-OD2 3.22Å; R149-D201 WeakPolarHBondContact CG-OD2 3.32Å; R149-D201 IonicContact NE-OD1 2.69Å; R149-D201 IonicContact NE-OD2 3.84Å; R149-D201 PolarHBondContact NE-OD2 2.83Å; L151-D201 HydrophobicContact CD1-CB 3.93Å; L151-D201 HydrophobicContact CG-CB 4.18Å; L182-D201 PolarHBondContact N-O 3.26Å; L182-D201 PolarHBondContact O-N 2.84Å
202	T	91.7	Very high	86	Confident	36 Å²	36	52 Å²	52	22%	0.221	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.3	177.9	85.6	0	0	0	0	113.6	R149 E179 W180	R149-T202 PolarHBondContact NE-O 2.98Å; E179-T202 VanDerWaalsContact CD-OG1 3.28Å; E179-T202 HydrophobicContact CG-CG2 4.41Å; E179-T202 WeakPolarHBondContact OE1-CB 2.98Å; E179-T202 PolarHBondContact OE1-OG1 3.34Å; E179-T202 WeakPolarHBondContact OE2-CG2 3Å; W180-T202 WeakPolarHBondContact O-CA 3.21Å
203	M	89.4	Confident	86.3	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.025	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	112.6	-174.4	-175.5	153	149.4	0	0	109.2	F142 N147 R149 W180 L182 L205	F142-M203 HydrophobicContact CD1-CE 3.62Å; F142-M203 HydrophobicContact CD1-SD 3.52Å; F142-M203 VanDerWaalsContact CD1-SD 3.52Å; F142-M203 HydrophobicContact CE1-CE 3.65Å; F142-M203 HydrophobicContact CE1-SD 3.98Å; F142-M203 HydrophobicContact CG-CE 4.46Å; F142-M203 HydrophobicContact CG-SD 4.49Å; N147-M203 HydrophobicContact CB-CE 3.74Å; R149-M203 HydrophobicContact CB-SD 3.88Å; R149-M203 HydrophobicContact CG-CB 3.94Å; R149-M203 HydrophobicContact CG-CG 4.09Å; R149-M203 HydrophobicContact CG-SD 3.63Å; W180-M203 HydrophobicContact CB-CB 4.47Å; W180-M203 WeakPolarHBondContact CB-O 3.29Å; W180-M203 PolarHBondContact N-O 3.27Å; W180-M203 PolarHBondContact O-N 2.73Å; L182-M203 HydrophobicContact CD1-CB 4.06Å; M203-L205 HydrophobicContact CE-CD1 4.37Å; M203-L205 HydrophobicContact CE-CD2 3.76Å; M203-L205 HydrophobicContact CE-CG 4.35Å; M203-L205 HydrophobicContact CG-CD2 4.27Å; M203-L205 HydrophobicContact CG-CG 4.31Å
204	M	87.5	Confident	86.7	Confident	100 Å²	100	45.4 Å²	45.4	49%	0.493	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.5	173.2	-66.3	-59.1	-68.2	0	0	109.5	E179 Q668	E179-M204 HydrophobicContact CB-SD 3.52Å; E179-M204 VanDerWaalsContact CB-SD 3.52Å; E179-M204 HydrophobicContact CG-SD 3.72Å; M204-Q668 PolarHBondContact SD-NE2 3.29Å
205	L	83.7	Confident	87.2	Confident	9 Å²	9	43.8 Å²	43.8	5%	0.047	25%	0.252	C	S	.	.			trans	-123	130.1	174.1	-67.7	-178.3	0	0	0	110.6	F142 Y144 N147 G178 W180 M203 V207 I210	F142-L205 HydrophobicContact CE1-CD1 4.37Å; Y144-L205 HydrophobicContact CD1-CD1 3.96Å; Y144-L205 HydrophobicContact CD1-CD2 3.56Å; Y144-L205 HydrophobicContact CD1-CG 4.35Å; Y144-L205 HydrophobicContact CD2-CD1 4.25Å; Y144-L205 HydrophobicContact CE1-CD2 4.37Å; Y144-L205 HydrophobicContact CG-CD1 3.79Å; Y144-L205 HydrophobicContact CG-CD2 4.05Å; N147-L205 HydrophobicContact CB-CD2 4.02Å; G178-L205 PolarHBondContact O-N 2.87Å; W180-L205 HydrophobicContact CD2-CD1 4.16Å; W180-L205 HydrophobicContact CG-CD1 4.2Å; M203-L205 HydrophobicContact CE-CD1 4.37Å; M203-L205 HydrophobicContact CE-CD2 3.76Å; M203-L205 HydrophobicContact CE-CG 4.35Å; M203-L205 HydrophobicContact CG-CD2 4.27Å; M203-L205 HydrophobicContact CG-CG 4.31Å; L205-V207 HydrophobicContact CB-CG2 3.97Å; L205-V207 PolarHBondContact O-N 2.67Å; L205-I210 HydrophobicContact CD1-CG2 4.46Å
206	S	79.1	Confident	87.5	Confident	125 Å²	125	42.9 Å²	42.9	87%	0.874	24%	0.242	S	C	*	.	S	Bend	trans	-78.9	40.4	178	65.9	0	0	0	0	112.8
207	V	78.3	Confident	87.4	Confident	38 Å²	38	40.3 Å²	40.3	23%	0.23	23%	0.226	C	C	.	.			trans	-142.6	137.6	179.3	-72.6	0	0	0	0	110.9	Y144 L205 T209 I210	Y144-V207 HydrophobicContact CE1-CG2 3.88Å; Y144-V207 HydrophobicContact CE2-CG2 4.38Å; L205-V207 HydrophobicContact CB-CG2 3.97Å; L205-V207 PolarHBondContact O-N 2.67Å; V207-T209 VanDerWaalsContact C-N 3.33Å; V207-I210 HydrophobicContact CG2-CG2 3.82Å
208	N	78.9	Confident	87.3	Confident	101 Å²	101	39.7 Å²	39.7	54%	0.54	22%	0.221	S	C	.	.	S	Bend	trans	-82.5	-11.4	179.2	-64.4	-3.4	0	0	0	113	N86 T87	N86-N208 CarbonylContact C-O 3.51Å; N86-N208 VanDerWaalsContact CA-O 3.29Å; N86-N208 WeakPolarHBondContact CA-O 3.46Å; N86-N208 PolarHBondContact OD1-O 3.03Å; T87-N208 PolarHBondContact N-O 2.9Å; T87-N208 VanDerWaalsContact OG1-CA 3.3Å; T87-N208 WeakPolarHBondContact OG1-CA 3.5Å; T87-N208 PolarHBondContact OG1-O 2.96Å
209	T	82.5	Confident	87	Confident	73 Å²	73	38 Å²	38	45%	0.448	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	135.2	-174.9	-40.8	0	0	0	0	110.6	Y84 M85 V207	Y84-T209 HydrophobicContact CD1-CG2 4.42Å; M85-T209 CarbonylContact O-C 3.57Å; M85-T209 VanDerWaalsContact O-CA 3.23Å; M85-T209 WeakPolarHBondContact O-CA 3.5Å; M85-T209 VanDerWaalsContact O-CG2 3.29Å; M85-T209 WeakPolarHBondContact O-CG2 3.1Å; V207-T209 VanDerWaalsContact C-N 3.33Å
210	I	83.3	Confident	86.3	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.2	170.9	81.6	178.5	0	0	0	110.6	Y84 M85 F142 Y144 W180 L205 V207 L212	Y84-I210 WeakPolarHBondContact CA-O 3.49Å; M85-I210 HydrophobicContact CB-CG1 4.27Å; M85-I210 HydrophobicContact CE-CD1 4.18Å; M85-I210 HydrophobicContact CE-CG1 4.5Å; M85-I210 PolarHBondContact N-O 2.68Å; M85-I210 PolarHBondContact O-N 3.23Å; F142-I210 HydrophobicContact CZ-CD1 3.9Å; Y144-I210 HydrophobicContact CD2-CB 4.3Å; Y144-I210 HydrophobicContact CD2-CG2 3.86Å; Y144-I210 HydrophobicContact CE2-CB 3.91Å; Y144-I210 HydrophobicContact CE2-CG2 3.42Å; Y144-I210 VanDerWaalsContact CE2-CG2 3.42Å; W180-I210 HydrophobicContact CE3-CD1 4.06Å; W180-I210 HydrophobicContact CH2-CB 4.22Å; W180-I210 HydrophobicContact CH2-CD1 3.67Å; W180-I210 HydrophobicContact CH2-CG1 3.57Å; W180-I210 HydrophobicContact CH2-CG2 3.83Å; W180-I210 HydrophobicContact CZ2-CD1 4.49Å; W180-I210 HydrophobicContact CZ2-CG1 4.49Å; W180-I210 HydrophobicContact CZ2-CG2 3.92Å; W180-I210 HydrophobicContact CZ3-CD1 3.38Å; W180-I210 HydrophobicContact CZ3-CG1 3.74Å; L205-I210 HydrophobicContact CD1-CG2 4.46Å; V207-I210 HydrophobicContact CG2-CG2 3.82Å; I210-L212 HydrophobicContact CD1-CD1 4.43Å; I210-L212 HydrophobicContact CD1-CD2 3.74Å; I210-L212 HydrophobicContact CD1-CG 3.95Å; I210-L212 HydrophobicContact CG1-CD2 4.22Å; I210-L212 HydrophobicContact CG1-CG 4.18Å
211	Q	85.2	Confident	85.1	Confident	74 Å²	74	37.8 Å²	37.8	35%	0.346	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.5	170.7	-173.2	173.7	-23.5	0	0	108.5	S82 F83 Y84	S82-Q211 PolarHBondContact OG-NE2 2.56Å; S82-Q211 VanDerWaalsContact OG-NE2 3.1Å; F83-Q211 WeakPolarHBondContact O-CA 3.09Å; Y84-Q211 HydrophobicContact CD1-CB 3.89Å; Y84-Q211 HydrophobicContact CD1-CG 4.17Å; Y84-Q211 HydrophobicContact CE1-CB 3.63Å; Y84-Q211 HydrophobicContact CE1-CG 3.68Å; Y84-Q211 VanDerWaalsContact CE1-OE1 3.22Å; Y84-Q211 PolarHBondContact OH-OE1 3.09Å
212	L	85	Confident	83.2	Confident	3 Å²	3	38 Å²	38	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	161.8	170.2	-65.6	-164.4	0	0	0	110.3	S82 F83 M85 L113 I127 I129 F142 I210	S82-L212 CarbonylContact C-O 3.54Å; S82-L212 WeakPolarHBondContact CA-O 3.46Å; F83-L212 HydrophobicContact CD2-CB 4.34Å; F83-L212 HydrophobicContact CE1-CB 4.23Å; F83-L212 HydrophobicContact CE2-CB 3.68Å; F83-L212 HydrophobicContact CE2-CD1 4.16Å; F83-L212 HydrophobicContact CE2-CG 4.28Å; F83-L212 HydrophobicContact CZ-CB 3.64Å; F83-L212 HydrophobicContact CZ-CD1 4.16Å; F83-L212 HydrophobicContact CZ-CG 4.46Å; F83-L212 PolarHBondContact N-O 3.36Å; F83-L212 PolarHBondContact O-N 3.47Å; M85-L212 HydrophobicContact CE-CD1 3.36Å; M85-L212 HydrophobicContact CE-CG 3.98Å; L113-L212 HydrophobicContact CD2-CB 4.4Å; I127-L212 HydrophobicContact CG2-CD2 3.37Å; I129-L212 HydrophobicContact CD1-CD1 3.6Å; I129-L212 HydrophobicContact CG1-CD1 4.46Å; F142-L212 HydrophobicContact CE2-CD2 4.32Å; I210-L212 HydrophobicContact CD1-CD1 4.43Å; I210-L212 HydrophobicContact CD1-CD2 3.74Å; I210-L212 HydrophobicContact CD1-CG 3.95Å; I210-L212 HydrophobicContact CG1-CD2 4.22Å; I210-L212 HydrophobicContact CG1-CG 4.18Å
213	G	85.6	Confident	81.6	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.01	22%	0.22	C	C	.	.			trans	73.2	168.5	-178.6	0	0	0	0	0	113.4	S82 R114	S82-G213 PolarHBondContact OG-O 2.88Å; R114-G213 CarbonylContact O-C 3.43Å
214	G	84.5	Confident	79.9	Confident	8 Å²	8	41 Å²	41	8%	0.082	24%	0.24	C	C	.	.	S	Bend	trans	144.1	-57.9	-163.2	0	0	0	0	0	107.8	P79 F80 R114	P79-G214 CarbonylContact C-O 3.55Å; P79-G214 WeakPolarHBondContact CA-O 3.49Å; F80-G214 PolarHBondContact N-O 2.74Å; F80-G214 CarbonylContact O-C 3.55Å; F80-G214 VanDerWaalsContact O-C 3.26Å; F80-G214 WeakPolarHBondContact O-CA 3.45Å; F80-G214 PolarHBondContact O-N 2.84Å; F80-G214 VanDerWaalsContact O-O 3.06Å; R114-G214 PolarHBondContact O-N 2.89Å
215	Y	88.3	Confident	78.5	Confident	52 Å²	52	36.5 Å²	36.5	20%	0.204	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.6	174.2	-81.6	-109.2	0	0	0	111.5	M78 P79 R114 N117	M78-Y215 WeakPolarHBondContact O-CA 3.41Å; P79-Y215 HydrophobicContact CB-CE1 4.44Å; P79-Y215 HydrophobicContact CB-CE2 4.35Å; R114-Y215 PolarHBondContact N-O 2.67Å; R114-Y215 PolarHBondContact O-N 2.98Å; N117-Y215 VanDerWaalsContact CA-CD2 3.49Å; N117-Y215 VanDerWaalsContact CA-CE2 3.42Å; N117-Y215 HydrophobicContact CB-CD2 4.14Å; N117-Y215 HydrophobicContact CB-CE2 3.57Å; N117-Y215 WeakPolarHBondContact OD1-CE2 3.25Å
216	I	91.1	Very high	77.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.5	166.2	-69.7	171	0	0	0	108	E77 M78 F80 F111 T112 L113 I218 V238 I243	E77-I216 WeakPolarHBondContact CA-O 3.45Å; M78-I216 HydrophobicContact CG-CB 3.95Å; M78-I216 HydrophobicContact CG-CG2 4.46Å; M78-I216 PolarHBondContact N-O 2.8Å; M78-I216 PolarHBondContact O-N 3.43Å; F80-I216 HydrophobicContact CB-CD1 3.83Å; F80-I216 HydrophobicContact CB-CG1 3.85Å; F80-I216 HydrophobicContact CD1-CD1 4.23Å; F80-I216 HydrophobicContact CD2-CD1 3.68Å; F80-I216 HydrophobicContact CE2-CD1 4.35Å; F80-I216 HydrophobicContact CG-CD1 3.61Å; F80-I216 HydrophobicContact CG-CG1 4.06Å; F111-I216 HydrophobicContact CD2-CG2 4.15Å; F111-I216 HydrophobicContact CE2-CD1 4.39Å; F111-I216 HydrophobicContact CE2-CG1 4.37Å; F111-I216 HydrophobicContact CE2-CG2 3.71Å; F111-I216 HydrophobicContact CZ-CG1 4.42Å; F111-I216 HydrophobicContact CZ-CG2 4.45Å; T112-I216 CarbonylContact O-C 3.3Å; T112-I216 WeakPolarHBondContact O-CA 3.27Å; L113-I216 HydrophobicContact CD1-CD1 4.25Å; L113-I216 HydrophobicContact CD1-CG1 3.57Å; I216-I218 HydrophobicContact CG2-CD1 3.71Å; I216-I218 HydrophobicContact CG2-CG1 4.32Å; I216-V238 HydrophobicContact CD1-CG2 4.1Å; I216-I243 HydrophobicContact CD1-CD1 3.76Å; I216-I243 HydrophobicContact CD1-CG1 4.13Å
217	L	89.7	Confident	77.3	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.9	171.8	-60.2	89.3	0	0	0	109.7	I76 E77 F111 T112 R114 D220	I76-L217 CarbonylContact O-C 3.53Å; I76-L217 VanDerWaalsContact O-CA 3.32Å; I76-L217 WeakPolarHBondContact O-CA 3.32Å; E77-L217 HydrophobicContact CG-CD2 3.78Å; E77-L217 HydrophobicContact CG-CG 3.9Å; E77-L217 WeakPolarHBondContact OE1-CD2 3.24Å; F111-L217 CarbonylContact C-O 3.51Å; F111-L217 WeakPolarHBondContact CA-O 3.38Å; T112-L217 PolarHBondContact N-O 2.87Å; T112-L217 PolarHBondContact O-N 2.81Å; R114-L217 HydrophobicContact CG-CD1 3.81Å; R114-L217 VanDerWaalsContact NH1-CD2 3.34Å; L217-D220 HydrophobicContact CB-CB 4.13Å; L217-D220 HydrophobicContact CD2-CB 3.85Å
218	I	91.5	Very high	77.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.7	172.5	-44.1	-62.8	0	0	0	108.1	I69 V71 P75 I76 L110 F111 I216 F233 F245	I69-I218 HydrophobicContact CD1-CG1 4.32Å; I69-I218 HydrophobicContact CD1-CG2 4.44Å; V71-I218 HydrophobicContact CG2-CG2 3.65Å; P75-I218 CarbonylContact C-O 3.56Å; P75-I218 WeakPolarHBondContact CA-O 3.42Å; P75-I218 WeakPolarHBondContact CB-O 3.37Å; I76-I218 HydrophobicContact CB-CB 4.33Å; I76-I218 PolarHBondContact N-O 2.91Å; I76-I218 PolarHBondContact O-N 2.86Å; L110-I218 WeakPolarHBondContact O-CA 3.43Å; L110-I218 WeakPolarHBondContact O-CG2 3.37Å; F111-I218 HydrophobicContact CD2-CD1 3.62Å; F111-I218 HydrophobicContact CE2-CD1 4.36Å; F111-I218 HydrophobicContact CG-CD1 4.48Å; I216-I218 HydrophobicContact CG2-CD1 3.71Å; I216-I218 HydrophobicContact CG2-CG1 4.32Å; I218-F233 HydrophobicContact CG2-CD2 3.5Å; I218-F233 VanDerWaalsContact CG2-CD2 3.5Å; I218-F233 HydrophobicContact CG2-CE1 4.43Å; I218-F233 HydrophobicContact CG2-CE2 3.27Å; I218-F233 HydrophobicContact CG2-CG 4.21Å; I218-F233 HydrophobicContact CG2-CZ 3.8Å; I218-F245 HydrophobicContact CG1-CE1 4.12Å; I218-F245 HydrophobicContact CG1-CZ 4.46Å
219	G	87.1	Confident	77.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	75.7	21.6	174.9	0	0	0	0	0	117.4	T109 L110	T109-G219 VanDerWaalsContact O-CA 3.32Å; T109-G219 WeakPolarHBondContact O-CA 3.22Å; L110-G219 PolarHBondContact O-N 2.92Å; L110-G219 VanDerWaalsContact O-N 3.11Å
220	D	81.6	Confident	78.1	Confident	18 Å²	18	40.1 Å²	40.1	10%	0.096	21%	0.21	C	C	.	.			trans	-85.8	142.4	-174.3	178.4	44.3	0	0	0	114.8	P75 T109 L217 S222	P75-D220 HydrophobicContact CB-CB 4.09Å; T109-D220 WeakPolarHBondContact CB-O 3.46Å; T109-D220 WeakPolarHBondContact CG2-O 3.3Å; T109-D220 PolarHBondContact OG1-O 2.95Å; L217-D220 HydrophobicContact CB-CB 4.13Å; L217-D220 HydrophobicContact CD2-CB 3.85Å; D220-S222 VanDerWaalsContact C-N 3.26Å; D220-S222 PolarHBondContact O-N 2.98Å; D220-S222 PolarHBondContact OD1-OG 2.89Å; D220-S222 WeakPolarHBondContact OD2-CB 3.38Å; D220-S222 PolarHBondContact OD2-N 3.33Å; D220-S222 PolarHBondContact OD2-OG 2.84Å
221	E	68	Low	78.4	Confident	93 Å²	93	40.6 Å²	40.6	44%	0.435	22%	0.215	S	C	.	.			trans	-68.9	-16.8	-177.3	-68.7	-179.4	141.5	0	0	114.5	G223 R228	E221-G223 PolarHBondContact O-N 2.82Å; E221-R228 HydrophobicContact CG-CG 3.42Å; E221-R228 VanDerWaalsContact CG-CG 3.42Å; E221-R228 IonicContact OE1-CZ 3.03Å; E221-R228 VanDerWaalsContact OE1-CZ 3.28Å; E221-R228 IonicContact OE1-NE 3.56Å; E221-R228 PolarHBondContact OE1-NE 3.26Å; E221-R228 IonicContact OE1-NH2 3.99Å; E221-R228 PolarHBondContact OE1-NH2 2.87Å; E221-R228 IonicContact OE2-CZ 3.67Å; E221-R228 IonicContact OE2-NE 2.64Å; E221-R228 IonicContact OE2-NH2 2.67Å; E221-R228 PolarHBondContact OE2-NH2 2.84Å
222	S	56.2	Low	78.7	Confident	58 Å²	58	37.2 Å²	37.2	41%	0.406	20%	0.199	S	C	.	.			trans	-74.4	74.8	-164.4	-47.4	0	0	0	0	113.9	K130 D220	K130-S222 PolarHBondContact NZ-O 3.34Å; D220-S222 VanDerWaalsContact C-N 3.26Å; D220-S222 PolarHBondContact O-N 2.98Å; D220-S222 PolarHBondContact OD1-OG 2.89Å; D220-S222 WeakPolarHBondContact OD2-CB 3.38Å; D220-S222 PolarHBondContact OD2-N 3.33Å; D220-S222 PolarHBondContact OD2-OG 2.84Å
223	G	57.2	Low	79.1	Confident	34 Å²	34	37 Å²	37	35%	0.351	20%	0.198	S	C	.	.	S	Bend	trans	173.4	-160.4	173.2	0	0	0	0	0	117.2	E221 S225	E221-G223 PolarHBondContact O-N 2.82Å; G223-S225 PolarHBondContact O-N 3.08Å
224	P	53.5	Low	79.4	Confident	70 Å²	70	37.3 Å²	37.3	46%	0.455	20%	0.199	S	C	.	.	S	Bend	trans	-65.2	-35.7	-170.5	23.5	-34.3	0	0	0	114.3	F132 T226	F132-P224 HydrophobicContact CD1-CG 4.3Å; F132-P224 HydrophobicContact CD2-CG 3.92Å; F132-P224 HydrophobicContact CE1-CG 4Å; F132-P224 HydrophobicContact CE2-CB 4.25Å; F132-P224 HydrophobicContact CE2-CG 3.56Å; F132-P224 HydrophobicContact CG-CG 4.28Å; F132-P224 HydrophobicContact CZ-CG 3.61Å; P224-T226 PolarHBondContact O-N 3.21Å
225	S	59.2	Low	79.8	Confident	6 Å²	6	38.4 Å²	38.4	4%	0.042	21%	0.206	C	C	.	.	S	Bend	trans	-76.8	110.3	165.1	63.4	0	0	0	0	108.8	T109 G223 E227	T109-S225 PolarHBondContact N-OG 2.86Å; T109-S225 PolarHBondContact OG1-OG 3.04Å; G223-S225 PolarHBondContact O-N 3.08Å; S225-E227 PolarHBondContact O-N 3.15Å
226	T	60.5	Low	80.2	Confident	121 Å²	121	35.9 Å²	35.9	74%	0.742	20%	0.196	S	C	*	.			trans	-78.1	23.3	179.6	54.6	0	0	0	0	113.8	P224	P224-T226 PolarHBondContact O-N 3.21Å
227	E	76.5	Confident	80.4	Confident	66 Å²	66	36.5 Å²	36.5	31%	0.308	20%	0.199	S	C	.	.	S	Bend	trans	-126.7	141.6	-173.1	-69.6	177.7	-124.4	0	0	110.6	S105 N107 G108 S225	S105-E227 WeakPolarHBondContact CB-OE2 3.26Å; S105-E227 PolarHBondContact OG-OE2 2.8Å; N107-E227 HydrophobicContact CB-CB 4.2Å; N107-E227 HydrophobicContact CB-CG 4.31Å; N107-E227 WeakPolarHBondContact CB-OE1 3.46Å; N107-E227 PolarHBondContact ND2-OE1 3.25Å; G108-E227 WeakPolarHBondContact CA-O 3.49Å; S225-E227 PolarHBondContact O-N 3.15Å
228	R	81	Confident	80.6	Confident	99 Å²	99	36.6 Å²	36.6	37%	0.374	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-72.4	127.1	169.8	-65.9	-178.6	-161.1	-154.9	-11.9	108.3	N73 E221 R230	N73-R228 WeakPolarHBondContact O-CD 3.16Å; N73-R228 PolarHBondContact O-NH1 2.63Å; E221-R228 HydrophobicContact CG-CG 3.42Å; E221-R228 VanDerWaalsContact CG-CG 3.42Å; E221-R228 IonicContact OE1-CZ 3.03Å; E221-R228 VanDerWaalsContact OE1-CZ 3.28Å; E221-R228 IonicContact OE1-NE 3.56Å; E221-R228 PolarHBondContact OE1-NE 3.26Å; E221-R228 IonicContact OE1-NH2 3.99Å; E221-R228 PolarHBondContact OE1-NH2 2.87Å; E221-R228 IonicContact OE2-CZ 3.67Å; E221-R228 IonicContact OE2-NE 2.64Å; E221-R228 IonicContact OE2-NH2 2.67Å; E221-R228 PolarHBondContact OE2-NH2 2.84Å; R228-R230 PolarHBondContact O-N 3.08Å
229	F	87.7	Confident	80.6	Confident	3 Å²	3	38.9 Å²	38.9	1%	0.013	21%	0.212	C	C	.	.			trans	-61	130.4	168.2	171.3	-99.3	0	0	0	110.2	V71 F99 T101 T109 L110 L133 F233	V71-F229 HydrophobicContact CB-CD1 4.05Å; V71-F229 HydrophobicContact CB-CE1 4.29Å; V71-F229 HydrophobicContact CG1-CD1 4.04Å; F99-F229 AromaticContact CD2-CE2 3.91Å; F99-F229 HydrophobicContact CD2-CE2 3.91Å; F99-F229 AromaticContact CD2-CZ 3.89Å; F99-F229 HydrophobicContact CD2-CZ 3.89Å; F99-F229 HydrophobicContact CE2-CE2 4.34Å; T101-F229 HydrophobicContact CG2-CE2 3.83Å; T109-F229 WeakPolarHBondContact O-CB 3.4Å; L110-F229 HydrophobicContact CD2-CB 4.49Å; L110-F229 HydrophobicContact CD2-CD1 4.34Å; L110-F229 HydrophobicContact CD2-CD2 3.28Å; L110-F229 HydrophobicContact CD2-CE1 4.41Å; L110-F229 HydrophobicContact CD2-CE2 3.33Å; L110-F229 HydrophobicContact CD2-CG 3.8Å; L110-F229 HydrophobicContact CD2-CZ 3.93Å; L133-F229 HydrophobicContact CD1-CD2 4.37Å; L133-F229 HydrophobicContact CD1-CE2 4.32Å; F229-F233 AromaticContact CD1-CE2 3.74Å; F229-F233 HydrophobicContact CD1-CE2 3.74Å; F229-F233 HydrophobicContact CD1-CZ 4.3Å; F229-F233 HydrophobicContact CE1-CD2 4.14Å; F229-F233 AromaticContact CE1-CE2 3.39Å; F229-F233 HydrophobicContact CE1-CE2 3.39Å; F229-F233 HydrophobicContact CE1-CZ 4.04Å; F229-F233 HydrophobicContact CZ-CE2 4.2Å
230	R	88	Confident	80.9	Confident	134 Å²	134	43.5 Å²	43.5	51%	0.506	23%	0.229	S	C	.	.			trans	-108.4	127.3	166.6	-179.1	178.9	-68.8	127.5	-0.7	109.5	V71 N73 T101 D103 R228	V71-R230 WeakPolarHBondContact O-CA 3.33Å; N73-R230 PolarHBondContact OD1-NH2 2.98Å; N73-R230 VanDerWaalsContact OD1-NH2 3.1Å; T101-R230 WeakPolarHBondContact CB-O 3.5Å; T101-R230 PolarHBondContact OG1-O 2.86Å; D103-R230 IonicContact OD2-NH1 3.96Å; R228-R230 PolarHBondContact O-N 3.08Å
231	G	89.6	Confident	81.5	Confident	12 Å²	12	46.3 Å²	46.3	12%	0.124	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.6	-156.4	179	0	0	0	0	0	111.7	V71 I100	V71-G231 CarbonylContact C-O 3.36Å; V71-G231 WeakPolarHBondContact CA-O 3.48Å; V71-G231 WeakPolarHBondContact CB-O 3.42Å; V71-G231 PolarHBondContact N-O 2.83Å; V71-G231 PolarHBondContact O-N 3.18Å; V71-G231 VanDerWaalsContact O-N 3.12Å; I100-G231 CarbonylContact O-C 3.46Å; I100-G231 VanDerWaalsContact O-CA 3.26Å; I100-G231 WeakPolarHBondContact O-CA 3.32Å
232	C	91.9	Very high	82.8	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.02	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161	178.7	-57.6	0	0	0	0	112.2	I69 F99 I100 W165 C258	I69-C232 WeakPolarHBondContact O-CA 3.45Å; I69-C232 VanDerWaalsContact O-CB 3.29Å; I69-C232 WeakPolarHBondContact O-CB 3.35Å; F99-C232 VanDerWaalsContact CA-O 3.24Å; F99-C232 WeakPolarHBondContact CA-O 3.1Å; F99-C232 WeakPolarHBondContact CB-O 3.49Å; I100-C232 HydrophobicContact CG2-CB 3.75Å; I100-C232 PolarHBondContact N-O 3.4Å; I100-C232 PolarHBondContact O-N 3.25Å; W165-C232 HydrophobicContact CH2-CB 3.84Å; W165-C232 HydrophobicContact CZ3-CB 4.48Å; C232-C258 HydrophobicContact CB-CB 3.46Å; C232-C258 VanDerWaalsContact CB-CB 3.46Å; C232-C258 WeakPolarHBondContact CB-SG 3.39Å; C232-C258 VanDerWaalsContact SG-CA 3.53Å; C232-C258 WeakPolarHBondContact SG-CB 3.38Å; C232-C258 CovalentContact SG-SG 2.02Å; C232-C258 PolarHBondContact SG-SG 3.34Å
233	F	93.6	Very high	84.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.7	167.5	-68	-103.7	0	0	0	110.3	S68 I69 V71 F97 Q98 F99 L110 I218 F229 V236	S68-F233 WeakPolarHBondContact CA-O 3.25Å; S68-F233 WeakPolarHBondContact CB-O 3.31Å; S68-F233 PolarHBondContact OG-O 3.17Å; I69-F233 HydrophobicContact CD1-CB 4.28Å; I69-F233 HydrophobicContact CG1-CB 3.97Å; I69-F233 PolarHBondContact N-O 2.8Å; I69-F233 PolarHBondContact O-N 2.78Å; V71-F233 HydrophobicContact CG2-CD2 3.65Å; V71-F233 HydrophobicContact CG2-CE2 3.83Å; F97-F233 HydrophobicContact CB-CD1 4.32Å; F97-F233 AromaticContact CD2-CD1 3.79Å; F97-F233 HydrophobicContact CD2-CD1 3.79Å; F97-F233 AromaticContact CD2-CE1 3.61Å; F97-F233 HydrophobicContact CD2-CE1 3.61Å; F97-F233 HydrophobicContact CE2-CD1 4.4Å; F97-F233 AromaticContact CE2-CE1 3.77Å; F97-F233 HydrophobicContact CE2-CE1 3.77Å; F97-F233 HydrophobicContact CG-CD1 4.24Å; F97-F233 HydrophobicContact CG-CE1 4.28Å; Q98-F233 CarbonylContact O-C 3.54Å; Q98-F233 VanDerWaalsContact O-CA 3.24Å; Q98-F233 WeakPolarHBondContact O-CA 3.48Å; F99-F233 HydrophobicContact CB-CD1 3.93Å; F99-F233 HydrophobicContact CB-CE1 3.89Å; F99-F233 HydrophobicContact CB-CG 4.38Å; F99-F233 HydrophobicContact CB-CZ 4.29Å; L110-F233 HydrophobicContact CB-CE1 4.2Å; L110-F233 HydrophobicContact CB-CZ 3.83Å; L110-F233 HydrophobicContact CD2-CZ 4.06Å; L110-F233 WeakPolarHBondContact O-CZ 3.35Å; I218-F233 HydrophobicContact CG2-CD2 3.5Å; I218-F233 VanDerWaalsContact CG2-CD2 3.5Å; I218-F233 HydrophobicContact CG2-CE1 4.43Å; I218-F233 HydrophobicContact CG2-CE2 3.27Å; I218-F233 HydrophobicContact CG2-CG 4.21Å; I218-F233 HydrophobicContact CG2-CZ 3.8Å; F229-F233 AromaticContact CD1-CE2 3.74Å; F229-F233 HydrophobicContact CD1-CE2 3.74Å; F229-F233 HydrophobicContact CD1-CZ 4.3Å; F229-F233 HydrophobicContact CE1-CD2 4.14Å; F229-F233 AromaticContact CE1-CE2 3.39Å; F229-F233 HydrophobicContact CE1-CE2 3.39Å; F229-F233 HydrophobicContact CE1-CZ 4.04Å; F229-F233 HydrophobicContact CZ-CE2 4.2Å; F233-V236 HydrophobicContact CB-CG2 3.98Å; F233-V236 HydrophobicContact CD1-CG2 4.18Å; F233-V236 HydrophobicContact CG-CG2 4.42Å
234	D	91.8	Very high	86.4	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.032	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.5	165.5	-162.8	8.3	0	0	0	107.9	Q98 W165 V236 K278 R280	Q98-D234 HydrophobicContact CB-CB 4.22Å; Q98-D234 WeakPolarHBondContact CB-O 3.29Å; Q98-D234 PolarHBondContact N-O 3.16Å; Q98-D234 PolarHBondContact O-N 3.4Å; W165-D234 HydrophobicContact CE3-CB 4.46Å; W165-D234 HydrophobicContact CH2-CB 3.79Å; W165-D234 HydrophobicContact CZ2-CB 4.42Å; W165-D234 HydrophobicContact CZ3-CB 3.81Å; D234-V236 PolarHBondContact O-N 3.34Å; D234-V236 VanDerWaalsContact O-N 3.16Å; D234-K278 IonicContact OD2-NZ 3.72Å; D234-K278 PolarHBondContact OD2-NZ 2.75Å; D234-R280 IonicContact OD2-NH2 2.73Å; D234-R280 PolarHBondContact OD2-NH2 3.26Å
235	S	92.9	Very high	88.3	Confident	31 Å²	31	36.1 Å²	36.1	22%	0.217	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.8	45.8	174.3	-60.9	0	0	0	0	116.6	L67 M237	L67-S235 PolarHBondContact O-N 3.15Å; S235-M237 PolarHBondContact O-N 2.7Å
236	V	95.4	Very high	90	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.9	172.2	-175.8	0	0	0	0	109.6	F97 F111 F233 D234 I243 F245	F97-V236 HydrophobicContact CB-CB 4.32Å; F97-V236 HydrophobicContact CB-CG1 4.39Å; F97-V236 HydrophobicContact CB-CG2 3.93Å; F111-V236 HydrophobicContact CD2-CG1 4.21Å; F111-V236 HydrophobicContact CE2-CG1 3.96Å; F233-V236 HydrophobicContact CB-CG2 3.98Å; F233-V236 HydrophobicContact CD1-CG2 4.18Å; F233-V236 HydrophobicContact CG-CG2 4.42Å; D234-V236 PolarHBondContact O-N 3.34Å; D234-V236 VanDerWaalsContact O-N 3.16Å; V236-I243 HydrophobicContact CB-CB 4.33Å; V236-I243 HydrophobicContact CB-CG1 4.36Å; V236-I243 HydrophobicContact CG1-CB 4.44Å; V236-I243 HydrophobicContact CG1-CG1 4Å; V236-I243 WeakPolarHBondContact O-CB 3.41Å; V236-I243 WeakPolarHBondContact O-CG1 3.16Å; V236-I243 PolarHBondContact O-N 2.95Å; V236-F245 HydrophobicContact CB-CE2 3.93Å; V236-F245 HydrophobicContact CB-CZ 3.88Å; V236-F245 HydrophobicContact CG1-CZ 4.35Å; V236-F245 HydrophobicContact CG2-CE2 3.88Å; V236-F245 HydrophobicContact CG2-CZ 3.8Å
237	M	95	Very high	91.4	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.064	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.7	-173.4	-173.5	-177.4	-77.1	0	0	111.4	I95 G96 S235 E241 L242 Y413	I95-M237 WeakPolarHBondContact CA-O 3.45Å; G96-M237 PolarHBondContact N-O 3.39Å; G96-M237 VanDerWaalsContact N-O 3.08Å; G96-M237 PolarHBondContact O-N 3.39Å; S235-M237 PolarHBondContact O-N 2.7Å; M237-E241 WeakPolarHBondContact CA-O 3.45Å; M237-E241 WeakPolarHBondContact CG-O 3.46Å; M237-L242 HydrophobicContact CB-CD2 4.12Å; M237-L242 HydrophobicContact CE-CD2 3.79Å; M237-L242 HydrophobicContact CE-CG 3.83Å; M237-Y413 HydrophobicContact CE-CD1 3.79Å; M237-Y413 HydrophobicContact CE-CD2 3.93Å; M237-Y413 HydrophobicContact CE-CE1 3.64Å; M237-Y413 HydrophobicContact CE-CE2 3.75Å; M237-Y413 HydrophobicContact CE-CG 3.94Å; M237-Y413 HydrophobicContact SD-CD1 3.73Å; M237-Y413 HydrophobicContact SD-CE1 3.15Å; M237-Y413 WeakPolarHBondContact SD-CE1 3.27Å; M237-Y413 HydrophobicContact SD-CE2 4.21Å; M237-Y413 HydrophobicContact SD-CG 4.47Å
238	V	94.2	Very high	92	Very high	2 Å²	2	34 Å²	34	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.3	168.9	-178.1	0	0	0	0	109.7	F80 F83 I95 F111 I216 R240 E241 I243	F80-V238 HydrophobicContact CE1-CB 4.24Å; F80-V238 HydrophobicContact CE1-CG1 3.79Å; F80-V238 HydrophobicContact CE2-CB 4.23Å; F80-V238 HydrophobicContact CZ-CB 3.66Å; F80-V238 HydrophobicContact CZ-CG1 3.63Å; F80-V238 HydrophobicContact CZ-CG2 4.22Å; F83-V238 HydrophobicContact CE1-CG1 3.71Å; F83-V238 HydrophobicContact CZ-CG1 4.29Å; I95-V238 HydrophobicContact CG1-CG1 4.5Å; F111-V238 HydrophobicContact CZ-CG2 4.41Å; I216-V238 HydrophobicContact CD1-CG2 4.1Å; V238-R240 PolarHBondContact O-N 3.14Å; V238-E241 PolarHBondContact N-O 3.13Å; V238-E241 PolarHBondContact O-N 3.3Å; V238-I243 HydrophobicContact CB-CD1 4.44Å; V238-I243 HydrophobicContact CG2-CD1 4.12Å; V238-I243 HydrophobicContact CG2-CG1 4.42Å
239	N	92.3	Very high	92.5	Very high	47 Å²	47	29.3 Å²	29.3	25%	0.251	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	-89.4	-166.7	-61.8	-50.2	0	0	0	113.1	V93 H94	V93-N239 WeakPolarHBondContact CA-OD1 3.37Å; V93-N239 WeakPolarHBondContact CG1-OD1 3.36Å; V93-N239 WeakPolarHBondContact CG2-OD1 3.36Å; H94-N239 WeakPolarHBondContact O-CA 3.37Å; H94-N239 PolarHBondContact O-N 3.26Å
240	R	93.7	Very high	92.3	Very high	97 Å²	97	34 Å²	34	37%	0.366	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	4.3	175.5	-62.8	175.6	179	172.1	1.1	111.5	V238 D409 K410 Y413 D414	V238-R240 PolarHBondContact O-N 3.14Å; R240-D409 WeakPolarHBondContact O-CB 3.37Å; R240-K410 VanDerWaalsContact CD-O 3.28Å; R240-K410 WeakPolarHBondContact CD-O 3.44Å; R240-K410 WeakPolarHBondContact O-CA 3.4Å; R240-K410 PolarHBondContact O-N 2.73Å; R240-Y413 HydrophobicContact CB-CD1 4.1Å; R240-Y413 VanDerWaalsContact CD-O 3.25Å; R240-Y413 WeakPolarHBondContact CD-O 3.3Å; R240-Y413 HydrophobicContact CG-CD1 4.16Å; R240-D414 VanDerWaalsContact CZ-CG 3.42Å; R240-D414 IonicContact CZ-OD1 2.75Å; R240-D414 IonicContact CZ-OD2 3.45Å; R240-D414 IonicContact NE-OD1 3.63Å; R240-D414 PolarHBondContact NE-OD1 3.13Å; R240-D414 IonicContact NH2-OD1 3.68Å; R240-D414 PolarHBondContact NH2-OD1 3.49Å; R240-D414 IonicContact NH2-OD2 3.67Å; R240-D414 PolarHBondContact NH2-OD2 3.1Å
241	E	94.3	Very high	92	Very high	78 Å²	78	32.9 Å²	32.9	36%	0.364	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.7	-176.4	174.1	150.5	-166.4	0	0	110.8	M237 V238 D409 K410	M237-E241 WeakPolarHBondContact CA-O 3.45Å; M237-E241 WeakPolarHBondContact CG-O 3.46Å; V238-E241 PolarHBondContact N-O 3.13Å; V238-E241 PolarHBondContact O-N 3.3Å; E241-D409 VanDerWaalsContact CA-OD2 3.3Å; E241-D409 WeakPolarHBondContact CA-OD2 3.47Å; E241-K410 HydrophobicContact CB-CG 4.4Å; E241-K410 VanDerWaalsContact OE1-CE 3.28Å; E241-K410 WeakPolarHBondContact OE1-CE 3.36Å; E241-K410 IonicContact OE1-NZ 3.45Å; E241-K410 PolarHBondContact OE1-NZ 2.77Å; E241-K410 WeakPolarHBondContact OE2-CE 3.44Å; E241-K410 IonicContact OE2-NZ 2.68Å; E241-K410 PolarHBondContact OE2-NZ 2.89Å
242	L	94.8	Very high	91.7	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.8	170.5	-79	171.1	0	0	0	109.6	K65 L67 M237 D244 D409	K65-L242 HydrophobicContact CD-CB 4.4Å; K65-L242 PolarHBondContact NZ-O 3.1Å; K65-L242 VanDerWaalsContact NZ-O 3.09Å; L67-L242 HydrophobicContact CD1-CD1 3.94Å; L67-L242 HydrophobicContact CD1-CD2 4.47Å; L67-L242 HydrophobicContact CD2-CB 3.91Å; L67-L242 HydrophobicContact CD2-CD1 4.45Å; L67-L242 HydrophobicContact CD2-CD2 4.49Å; M237-L242 HydrophobicContact CB-CD2 4.12Å; M237-L242 HydrophobicContact CE-CD2 3.79Å; M237-L242 HydrophobicContact CE-CG 3.83Å; L242-D244 PolarHBondContact O-N 3.13Å; L242-D409 HydrophobicContact CB-CB 4.16Å; L242-D409 HydrophobicContact CD1-CB 4.06Å; L242-D409 HydrophobicContact CG-CB 4.02Å; L242-D409 PolarHBondContact N-OD2 3.46Å
243	I	94.3	Very high	91	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-69.9	122.9	179.4	-56.1	-57.4	0	0	0	109.4	L67 M78 F80 I216 V236 V238 F245	L67-I243 WeakPolarHBondContact CD2-O 3.49Å; M78-I243 HydrophobicContact CE-CG2 3.52Å; M78-I243 HydrophobicContact SD-CG2 3.5Å; M78-I243 WeakPolarHBondContact SD-CG2 3.32Å; F80-I243 HydrophobicContact CD2-CD1 3.61Å; F80-I243 HydrophobicContact CE2-CD1 3.37Å; F80-I243 HydrophobicContact CZ-CD1 4.37Å; I216-I243 HydrophobicContact CD1-CD1 3.76Å; I216-I243 HydrophobicContact CD1-CG1 4.13Å; V236-I243 HydrophobicContact CB-CB 4.33Å; V236-I243 HydrophobicContact CB-CG1 4.36Å; V236-I243 HydrophobicContact CG1-CB 4.44Å; V236-I243 HydrophobicContact CG1-CG1 4Å; V236-I243 WeakPolarHBondContact O-CB 3.41Å; V236-I243 WeakPolarHBondContact O-CG1 3.16Å; V236-I243 PolarHBondContact O-N 2.95Å; V238-I243 HydrophobicContact CB-CD1 4.44Å; V238-I243 HydrophobicContact CG2-CD1 4.12Å; V238-I243 HydrophobicContact CG2-CG1 4.42Å; I243-F245 HydrophobicContact CB-CE2 4.18Å; I243-F245 HydrophobicContact CB-CZ 4.18Å; I243-F245 HydrophobicContact CG2-CD1 4.32Å; I243-F245 HydrophobicContact CG2-CD2 4.39Å; I243-F245 HydrophobicContact CG2-CE1 3.88Å; I243-F245 HydrophobicContact CG2-CE2 3.95Å; I243-F245 HydrophobicContact CG2-CZ 3.67Å
244	D	94.8	Very high	90.4	Very high	27 Å²	27	42.8 Å²	42.8	14%	0.144	25%	0.249	C	C	.	.			trans	-94.5	112.9	173.6	-178.8	13.4	0	0	0	110.2	N40 K65 L66 L242 Y246 P247	N40-D244 PolarHBondContact ND2-OD2 2.96Å; K65-D244 HydrophobicContact CB-CB 4.05Å; K65-D244 HydrophobicContact CD-CB 4.36Å; K65-D244 HydrophobicContact CG-CB 4.06Å; L66-D244 PolarHBondContact N-OD1 3.14Å; L242-D244 PolarHBondContact O-N 3.13Å; D244-Y246 VanDerWaalsContact C-N 3.32Å; D244-Y246 VanDerWaalsContact OD1-CB 3.24Å; D244-Y246 WeakPolarHBondContact OD1-CB 3.16Å; D244-Y246 PolarHBondContact OD1-N 3.33Å; D244-P247 WeakPolarHBondContact O-CD 3.43Å
245	F	93.8	Very high	90.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.249	C	C	.	.			trans	-83.5	-7	179.5	-65	-79.7	0	0	0	113.3	L66 I69 I76 M78 I218 V236 I243 V248 L249	L66-F245 HydrophobicContact CD2-CB 4.24Å; L66-F245 HydrophobicContact CG-CB 4.49Å; L66-F245 PolarHBondContact O-N 2.99Å; I69-F245 HydrophobicContact CD1-CD1 3.82Å; I69-F245 HydrophobicContact CD1-CD2 4Å; I69-F245 HydrophobicContact CD1-CE1 3.63Å; I69-F245 HydrophobicContact CD1-CE2 3.82Å; I69-F245 HydrophobicContact CD1-CG 4.01Å; I69-F245 HydrophobicContact CD1-CZ 3.63Å; I69-F245 HydrophobicContact CG2-CB 3.59Å; I69-F245 HydrophobicContact CG2-CD1 4.26Å; I69-F245 HydrophobicContact CG2-CD2 3.69Å; I69-F245 HydrophobicContact CG2-CE2 4.46Å; I69-F245 HydrophobicContact CG2-CG 3.57Å; I76-F245 HydrophobicContact CG2-CD1 4.4Å; M78-F245 HydrophobicContact SD-CD1 3.62Å; M78-F245 HydrophobicContact SD-CE1 3.5Å; M78-F245 WeakPolarHBondContact SD-CE1 3.31Å; M78-F245 HydrophobicContact SD-CZ 4.46Å; I218-F245 HydrophobicContact CG1-CE1 4.12Å; I218-F245 HydrophobicContact CG1-CZ 4.46Å; V236-F245 HydrophobicContact CB-CE2 3.93Å; V236-F245 HydrophobicContact CB-CZ 3.88Å; V236-F245 HydrophobicContact CG1-CZ 4.35Å; V236-F245 HydrophobicContact CG2-CE2 3.88Å; V236-F245 HydrophobicContact CG2-CZ 3.8Å; I243-F245 HydrophobicContact CB-CE2 4.18Å; I243-F245 HydrophobicContact CB-CZ 4.18Å; I243-F245 HydrophobicContact CG2-CD1 4.32Å; I243-F245 HydrophobicContact CG2-CD2 4.39Å; I243-F245 HydrophobicContact CG2-CE1 3.88Å; I243-F245 HydrophobicContact CG2-CE2 3.95Å; I243-F245 HydrophobicContact CG2-CZ 3.67Å; F245-V248 VanDerWaalsContact O-CG2 3.29Å; F245-V248 WeakPolarHBondContact O-CG2 3.5Å; F245-V248 PolarHBondContact O-N 2.85Å; F245-L249 HydrophobicContact CB-CD1 4.08Å; F245-L249 HydrophobicContact CB-CG 4.43Å; F245-L249 WeakPolarHBondContact O-CB 3.45Å; F245-L249 PolarHBondContact O-N 3.04Å
246	Y	93.1	Very high	90.1	Very high	31 Å²	31	43.3 Å²	43.3	12%	0.122	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-44.2	-176.2	-173.9	-106.6	0	0	0	113.8	N40 I56 M60 D244 V248 L249 L250	N40-Y246 HydrophobicContact CB-CD1 3.61Å; N40-Y246 HydrophobicContact CB-CE1 3.74Å; N40-Y246 HydrophobicContact CB-CG 4.27Å; N40-Y246 VanDerWaalsContact OD1-CD1 3.28Å; N40-Y246 WeakPolarHBondContact OD1-CD1 3.37Å; I56-Y246 HydrophobicContact CG2-CE2 4.32Å; M60-Y246 HydrophobicContact CE-CD1 4.14Å; M60-Y246 HydrophobicContact CE-CD2 3.15Å; M60-Y246 HydrophobicContact CE-CE1 4.28Å; M60-Y246 HydrophobicContact CE-CE2 3.34Å; M60-Y246 HydrophobicContact CE-CG 3.57Å; D244-Y246 VanDerWaalsContact C-N 3.32Å; D244-Y246 VanDerWaalsContact OD1-CB 3.24Å; D244-Y246 WeakPolarHBondContact OD1-CB 3.16Å; D244-Y246 PolarHBondContact OD1-N 3.33Å; Y246-V248 VanDerWaalsContact C-N 3.27Å; Y246-V248 PolarHBondContact O-N 3.21Å; Y246-L249 CarbonylContact O-C 3.58Å; Y246-L249 PolarHBondContact O-N 2.9Å; Y246-L250 HydrophobicContact CD1-CD2 3.76Å; Y246-L250 HydrophobicContact CE1-CD2 3.36Å; Y246-L250 HydrophobicContact CE2-CD2 4.21Å; Y246-L250 HydrophobicContact CG-CD2 4.38Å; Y246-L250 WeakPolarHBondContact O-CG 3.4Å; Y246-L250 PolarHBondContact O-N 3.5Å
247	P	90.6	Very high	89.8	Confident	76 Å²	76	43.3 Å²	43.3	49%	0.494	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.8	-178.6	-24.8	36.2	0	0	0	114.3	D244	D244-P247 WeakPolarHBondContact O-CD 3.43Å
248	V	89.8	Confident	89.5	Confident	40 Å²	40	42.8 Å²	42.8	24%	0.242	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-20.8	178.5	-65.3	0	0	0	0	113.4	I76 M78 F245 Y246	I76-V248 HydrophobicContact CG2-CG2 4.15Å; M78-V248 HydrophobicContact CB-CG1 3.76Å; M78-V248 HydrophobicContact CB-CG2 4.2Å; F245-V248 VanDerWaalsContact O-CG2 3.29Å; F245-V248 WeakPolarHBondContact O-CG2 3.5Å; F245-V248 PolarHBondContact O-N 2.85Å; Y246-V248 VanDerWaalsContact C-N 3.27Å; Y246-V248 PolarHBondContact O-N 3.21Å
249	L	89.9	Confident	89	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	26%	0.258	C	S	.	.	S	Bend	trans	-101.1	19.2	175.6	-58.1	-176	0	0	0	113.7	L66 I69 I76 F245 Y246 S251 Q252 R255 R256	L66-L249 HydrophobicContact CD2-CB 4.26Å; L66-L249 HydrophobicContact CD2-CD1 4Å; I69-L249 HydrophobicContact CB-CD1 4.2Å; I69-L249 HydrophobicContact CG2-CD1 3.51Å; I76-L249 HydrophobicContact CD1-CD1 4.35Å; I76-L249 HydrophobicContact CD1-CD2 4.16Å; I76-L249 HydrophobicContact CG1-CD2 4.39Å; F245-L249 HydrophobicContact CB-CD1 4.08Å; F245-L249 HydrophobicContact CB-CG 4.43Å; F245-L249 WeakPolarHBondContact O-CB 3.45Å; F245-L249 PolarHBondContact O-N 3.04Å; Y246-L249 CarbonylContact O-C 3.58Å; Y246-L249 PolarHBondContact O-N 2.9Å; L249-S251 VanDerWaalsContact C-N 3.34Å; L249-S251 PolarHBondContact O-N 2.97Å; L249-Q252 HydrophobicContact CD2-CB 3.85Å; L249-Q252 PolarHBondContact O-N 3.01Å; L249-R255 HydrophobicContact CD1-CB 4.24Å; L249-R255 HydrophobicContact CD2-CB 4.21Å; L249-R256 HydrophobicContact CB-CG 4.34Å; L249-R256 PolarHBondContact O-NE 3.3Å; L249-R256 VanDerWaalsContact O-NE 3.1Å; L249-R256 PolarHBondContact O-NH2 3.11Å
250	L	84.9	Confident	88.4	Confident	101 Å²	101	46.2 Å²	46.2	53%	0.529	26%	0.264	S	S	.	.	S	Bend	trans	-53.7	-48.2	173.8	-73.7	178.8	0	0	0	112.1	Y246 R256	Y246-L250 HydrophobicContact CD1-CD2 3.76Å; Y246-L250 HydrophobicContact CE1-CD2 3.36Å; Y246-L250 HydrophobicContact CE2-CD2 4.21Å; Y246-L250 HydrophobicContact CG-CD2 4.38Å; Y246-L250 WeakPolarHBondContact O-CG 3.4Å; Y246-L250 PolarHBondContact O-N 3.5Å; L250-R256 PolarHBondContact O-NH2 2.8Å
251	S	81.6	Confident	87.6	Confident	112 Å²	112	41.8 Å²	41.8	78%	0.783	25%	0.248	S	C	*	.	S	Bend	trans	-89.5	-13.6	178.3	55.8	0	0	0	0	114.3	L249	L249-S251 VanDerWaalsContact C-N 3.34Å; L249-S251 PolarHBondContact O-N 2.97Å
252	Q	82.4	Confident	87	Confident	74 Å²	74	40.3 Å²	40.3	35%	0.346	24%	0.241	S	C	.	.			trans	-106.6	51.9	-174.2	-68	179.6	72.6	0	0	111.4	L249 S254 R255	L249-Q252 HydrophobicContact CD2-CB 3.85Å; L249-Q252 PolarHBondContact O-N 3.01Å; Q252-S254 PolarHBondContact O-N 3.49Å; Q252-S254 VanDerWaalsContact O-N 3.14Å; Q252-R255 HydrophobicContact CB-CB 4.45Å; Q252-R255 HydrophobicContact CB-CG 4.14Å; Q252-R255 WeakPolarHBondContact O-CB 3.4Å; Q252-R255 PolarHBondContact O-N 3.11Å
253	G	78.1	Confident	86.3	Confident	40 Å²	40	45.8 Å²	45.8	41%	0.412	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-55.3	-31.8	-175.9	0	0	0	0	0	114.8	R255 R256	G253-R255 PolarHBondContact O-N 2.79Å; G253-R255 VanDerWaalsContact O-N 3.13Å; G253-R256 WeakPolarHBondContact O-CG 3.39Å; G253-R256 PolarHBondContact O-N 3Å
254	S	80.7	Confident	85.7	Confident	109 Å²	109	45.5 Å²	45.5	76%	0.762	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-68.5	-5	175.9	60.8	0	0	0	0	114.8	Q252	Q252-S254 PolarHBondContact O-N 3.49Å; Q252-S254 VanDerWaalsContact O-N 3.14Å
255	R	88.8	Confident	85.2	Confident	13 Å²	13	44.8 Å²	44.8	5%	0.049	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-105.5	3.8	178.8	-56.8	-169.2	68.8	168	8.8	113.7	I69 N70 T74 P75 I76 L249 Q252 G253	I69-R255 CarbonylContact C-O 3.52Å; I69-R255 VanDerWaalsContact CA-O 3.31Å; I69-R255 WeakPolarHBondContact CA-O 3.06Å; N70-R255 PolarHBondContact N-O 3.13Å; N70-R255 PolarHBondContact O-NE 2.66Å; N70-R255 VanDerWaalsContact O-NE 3.13Å; N70-R255 PolarHBondContact O-NH2 3.38Å; T74-R255 PolarHBondContact O-NH1 2.77Å; T74-R255 PolarHBondContact O-NH2 3.1Å; T74-R255 PolarHBondContact OG1-NH1 3.15Å; P75-R255 PolarHBondContact O-NH1 2.86Å; I76-R255 VanDerWaalsContact CG1-CZ 3.43Å; L249-R255 HydrophobicContact CD1-CB 4.24Å; L249-R255 HydrophobicContact CD2-CB 4.21Å; Q252-R255 HydrophobicContact CB-CB 4.45Å; Q252-R255 HydrophobicContact CB-CG 4.14Å; Q252-R255 WeakPolarHBondContact O-CB 3.4Å; Q252-R255 PolarHBondContact O-N 3.11Å; G253-R255 PolarHBondContact O-N 2.79Å; G253-R255 VanDerWaalsContact O-N 3.13Å
256	R	90.6	Very high	84.8	Confident	35 Å²	35	48 Å²	48	13%	0.132	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-87.9	140.2	-178.8	-54.4	-174.2	-173.6	163.5	5.2	110.2	D57 Y59 L66 L249 L250 G253	D57-R256 WeakPolarHBondContact OD2-CD 3.42Å; D57-R256 IonicContact OD2-CZ 2.73Å; D57-R256 IonicContact OD2-NE 3.95Å; D57-R256 IonicContact OD2-NH1 3.01Å; D57-R256 PolarHBondContact OD2-NH1 3.29Å; Y59-R256 HydrophobicContact CD2-CB 4.19Å; Y59-R256 WeakPolarHBondContact CE2-O 3.18Å; L66-R256 HydrophobicContact CD1-CB 4Å; L66-R256 HydrophobicContact CD1-CG 4.46Å; L66-R256 HydrophobicContact CD2-CB 4.02Å; L66-R256 HydrophobicContact CD2-CG 3.64Å; L249-R256 HydrophobicContact CB-CG 4.34Å; L249-R256 PolarHBondContact O-NE 3.3Å; L249-R256 VanDerWaalsContact O-NE 3.1Å; L249-R256 PolarHBondContact O-NH2 3.11Å; L250-R256 PolarHBondContact O-NH2 2.8Å; G253-R256 WeakPolarHBondContact O-CG 3.39Å; G253-R256 PolarHBondContact O-N 3Å
257	G	88.3	Confident	84.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	65.9	-167.2	-172.4	0	0	0	0	0	113.2	Y59 S68 I69 N70	Y59-G257 VanDerWaalsContact CD1-CA 3.46Å; S68-G257 WeakPolarHBondContact O-CA 3.29Å; S68-G257 PolarHBondContact O-N 2.74Å; I69-G257 CarbonylContact C-O 3.57Å; N70-G257 PolarHBondContact N-O 3.34Å; N70-G257 VanDerWaalsContact N-O 3.13Å
258	C	88.3	Confident	83.9	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.014	30%	0.304	C	S	.	.			trans	-125.6	78.2	172.6	-168.4	0	0	0	0	110.6	W165 C232 D260 S261 Q262	W165-C258 HydrophobicContact CH2-CB 4.31Å; W165-C258 HydrophobicContact CZ2-CB 4.07Å; C232-C258 HydrophobicContact CB-CB 3.46Å; C232-C258 VanDerWaalsContact CB-CB 3.46Å; C232-C258 WeakPolarHBondContact CB-SG 3.39Å; C232-C258 VanDerWaalsContact SG-CA 3.53Å; C232-C258 WeakPolarHBondContact SG-CB 3.38Å; C232-C258 CovalentContact SG-SG 2.02Å; C232-C258 PolarHBondContact SG-SG 3.34Å; C258-D260 PolarHBondContact O-N 2.8Å; C258-S261 PolarHBondContact O-N 3.23Å; C258-S261 PolarHBondContact SG-OG 2.98Å; C258-Q262 WeakPolarHBondContact O-CG 3.32Å; C258-Q262 PolarHBondContact O-OE1 3.16Å
259	P	84.4	Confident	83.5	Confident	51 Å²	51	57.8 Å²	57.8	33%	0.331	34%	0.336	S	S	.	.	S	Bend	trans	-62.4	-27.3	-178.4	25.3	-34.7	0	0	0	112.6	Q262 K263	P259-Q262 PolarHBondContact O-N 3.16Å; P259-K263 PolarHBondContact O-N 3.46Å
260	D	79.6	Confident	83.2	Confident	70 Å²	70	62.2 Å²	62.2	37%	0.374	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-70	-38.2	-177.2	-69.7	-68.6	0	0	0	113.8	N70 C258 Q262 K263	N70-D260 PolarHBondContact ND2-OD2 2.72Å; C258-D260 PolarHBondContact O-N 2.8Å; D260-Q262 PolarHBondContact O-N 2.55Å; D260-K263 VanDerWaalsContact OD1-CE 3.24Å; D260-K263 WeakPolarHBondContact OD1-CE 3.43Å; D260-K263 IonicContact OD1-NZ 2.79Å; D260-K263 PolarHBondContact OD1-NZ 2.75Å
261	S	77.5	Confident	83.3	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.021	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-86.4	7.3	175	71.5	0	0	0	0	114	C258 A282	C258-S261 PolarHBondContact O-N 3.23Å; C258-S261 PolarHBondContact SG-OG 2.98Å; S261-A282 CarbonylContact C-O 3.5Å; S261-A282 CarbonylContact O-C 3.55Å; S261-A282 PolarHBondContact O-N 2.84Å
262	Q	80.9	Confident	83.5	Confident	47 Å²	47	59.7 Å²	59.7	22%	0.22	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-120.2	2.8	-179.6	-68.2	179.4	-22.2	0	0	113.7	C258 P259 D260 G264 C265 A282	C258-Q262 WeakPolarHBondContact O-CG 3.32Å; C258-Q262 PolarHBondContact O-OE1 3.16Å; P259-Q262 PolarHBondContact O-N 3.16Å; D260-Q262 PolarHBondContact O-N 2.55Å; Q262-G264 PolarHBondContact O-N 3.45Å; Q262-G264 VanDerWaalsContact O-N 3.15Å; Q262-C265 HydrophobicContact CB-CB 4.49Å; Q262-C265 WeakPolarHBondContact O-CB 3.12Å; Q262-C265 PolarHBondContact O-N 2.95Å; Q262-A282 CarbonylContact C-O 3.21Å; Q262-A282 VanDerWaalsContact C-O 3.29Å; Q262-A282 WeakPolarHBondContact CA-O 3.48Å; Q262-A282 PolarHBondContact N-O 3.03Å
263	K	81.1	Confident	83.7	Confident	123 Å²	123	56.2 Å²	56.2	54%	0.535	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-54.8	-33	178.1	-75.1	168.6	-176.1	152.9	0	113.2	P259 D260 A282 I283	P259-K263 PolarHBondContact O-N 3.46Å; D260-K263 VanDerWaalsContact OD1-CE 3.24Å; D260-K263 WeakPolarHBondContact OD1-CE 3.43Å; D260-K263 IonicContact OD1-NZ 2.79Å; D260-K263 PolarHBondContact OD1-NZ 2.75Å; K263-A282 PolarHBondContact N-O 2.79Å; K263-A282 VanDerWaalsContact N-O 3.13Å; K263-I283 CarbonylContact C-O 3.56Å; K263-I283 WeakPolarHBondContact CB-O 3.35Å
264	G	81	Confident	84.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-81.2	-13.5	177.6	0	0	0	0	0	114.9	Q262 V266 L272 A282 I283 S284 S285	Q262-G264 PolarHBondContact O-N 3.45Å; Q262-G264 VanDerWaalsContact O-N 3.15Å; G264-V266 PolarHBondContact O-N 2.82Å; G264-V266 VanDerWaalsContact O-N 3.14Å; G264-L272 WeakPolarHBondContact O-CD1 3.44Å; G264-A282 PolarHBondContact N-O 3.34Å; G264-I283 PolarHBondContact N-O 2.73Å; G264-S284 WeakPolarHBondContact CA-O 3.41Å; G264-S285 WeakPolarHBondContact O-CA 3.37Å
265	C	84.2	Confident	84.5	Confident	12 Å²	12	52.9 Å²	52.9	8%	0.081	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-68.5	-10.6	-178.7	-63.3	0	0	0	0	114	Q262 L272 C279	Q262-C265 HydrophobicContact CB-CB 4.49Å; Q262-C265 WeakPolarHBondContact O-CB 3.12Å; Q262-C265 PolarHBondContact O-N 2.95Å; C265-L272 PolarHBondContact O-N 2.81Å; C265-C279 VanDerWaalsContact CA-SG 3.54Å; C265-C279 HydrophobicContact CB-CB 3.52Å; C265-C279 WeakPolarHBondContact CB-SG 3.33Å; C265-C279 WeakPolarHBondContact SG-CB 3.26Å; C265-C279 CovalentContact SG-SG 2.02Å; C265-C279 PolarHBondContact SG-SG 2.82Å
266	V	84.3	Confident	84.4	Confident	68 Å²	68	56.1 Å²	56.1	41%	0.412	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.4	177.8	-170.5	0	0	0	0	109.2	G264 G268 V270	G264-V266 PolarHBondContact O-N 2.82Å; G264-V266 VanDerWaalsContact O-N 3.14Å; V266-G268 VanDerWaalsContact CG1-O 3.28Å; V266-G268 WeakPolarHBondContact CG1-O 3.4Å; V266-V270 CarbonylContact C-O 3.6Å; V266-V270 WeakPolarHBondContact CA-O 3.26Å; V266-V270 WeakPolarHBondContact CG1-O 3.36Å
267	R	81.9	Confident	84.2	Confident	113 Å²	113	55 Å²	55	43%	0.426	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	104.7	171.8	-169.3	178.5	-83.3	-167.5	-1.7	108.4	N269 V270 L272 S285 D704	R267-N269 PolarHBondContact O-N 2.82Å; R267-V270 PolarHBondContact N-O 2.86Å; R267-V270 PolarHBondContact O-N 3.29Å; R267-V270 VanDerWaalsContact O-N 3.16Å; R267-L272 HydrophobicContact CB-CD1 4.47Å; R267-L272 HydrophobicContact CB-CD2 3.82Å; R267-L272 HydrophobicContact CB-CG 4.31Å; R267-S285 PolarHBondContact NE-OG 3.23Å; R267-S285 PolarHBondContact NH2-O 3.04Å; R267-D704 IonicContact NH2-OD1 2.74Å; R267-D704 IonicContact NH2-OD2 3.19Å
268	G	83	Confident	84	Confident	69 Å²	69	59 Å²	59	71%	0.711	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-113.3	-168.9	0	0	0	0	0	110.7	V266	V266-G268 VanDerWaalsContact CG1-O 3.28Å; V266-G268 WeakPolarHBondContact CG1-O 3.4Å
269	N	82.5	Confident	83.7	Confident	170 Å²	170	59.5 Å²	59.5	91%	0.909	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	4.8	174.6	-68.6	-2.7	0	0	0	113.3	R267	R267-N269 PolarHBondContact O-N 2.82Å
270	V	84.2	Confident	83.3	Confident	95 Å²	95	57.9 Å²	57.9	58%	0.576	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.3	-174.2	-177.5	0	0	0	0	110.5	V266 R267 L272	V266-V270 CarbonylContact C-O 3.6Å; V266-V270 WeakPolarHBondContact CA-O 3.26Å; V266-V270 WeakPolarHBondContact CG1-O 3.36Å; R267-V270 PolarHBondContact N-O 2.86Å; R267-V270 PolarHBondContact O-N 3.29Å; R267-V270 VanDerWaalsContact O-N 3.16Å; V270-L272 PolarHBondContact O-N 2.87Å
271	K	86.9	Confident	82.8	Confident	125 Å²	125	55.3 Å²	55.3	54%	0.543	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.8	166.9	-71.1	-176.1	176.2	-173.3	0	109.3	C273 G274	K271-C273 VanDerWaalsContact C-N 3.29Å; K271-C273 PolarHBondContact O-N 2.87Å; K271-G274 VanDerWaalsContact CB-O 3.31Å; K271-G274 WeakPolarHBondContact CB-O 3.39Å; K271-G274 WeakPolarHBondContact CD-O 3.36Å; K271-G274 PolarHBondContact O-N 2.87Å
272	L	85.6	Confident	82.4	Confident	34 Å²	34	55.2 Å²	55.2	18%	0.178	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.9	-177.6	-66.3	-177.1	0	0	0	113.7	G264 C265 R267 V270 G274 L289	G264-L272 WeakPolarHBondContact O-CD1 3.44Å; C265-L272 PolarHBondContact O-N 2.81Å; R267-L272 HydrophobicContact CB-CD1 4.47Å; R267-L272 HydrophobicContact CB-CD2 3.82Å; R267-L272 HydrophobicContact CB-CG 4.31Å; V270-L272 PolarHBondContact O-N 2.87Å; L272-G274 VanDerWaalsContact C-N 3.34Å; L272-L289 HydrophobicContact CB-CD2 3.94Å; L272-L289 HydrophobicContact CD1-CD2 3.48Å; L272-L289 VanDerWaalsContact CD1-CD2 3.48Å; L272-L289 HydrophobicContact CG-CD2 4.36Å
273	C	85.7	Confident	82	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.014	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	16.6	174.8	-61.1	0	0	0	0	114	K271 C279 C291 C312	K271-C273 VanDerWaalsContact C-N 3.29Å; K271-C273 PolarHBondContact O-N 2.87Å; C273-C279 HydrophobicContact CB-CB 4.41Å; C273-C279 VanDerWaalsContact SG-CB 3.59Å; C273-C291 WeakPolarHBondContact CA-SG 3.19Å; C273-C291 HydrophobicContact CB-CB 3.6Å; C273-C291 WeakPolarHBondContact CB-SG 3.4Å; C273-C291 WeakPolarHBondContact SG-CA 3.47Å; C273-C291 WeakPolarHBondContact SG-CB 3.39Å; C273-C291 CovalentContact SG-SG 2.04Å; C273-C291 PolarHBondContact SG-SG 2.91Å; C273-C312 PolarHBondContact O-N 3.08Å
274	G	87.8	Confident	81.4	Confident	2 Å²	2	52.3 Å²	52.3	2%	0.021	29%	0.287	C	S	.	.			trans	71	-156.8	-177.9	0	0	0	0	0	113.1	K271 L272 E313	K271-G274 VanDerWaalsContact CB-O 3.31Å; K271-G274 WeakPolarHBondContact CB-O 3.39Å; K271-G274 WeakPolarHBondContact CD-O 3.36Å; K271-G274 PolarHBondContact O-N 2.87Å; L272-G274 VanDerWaalsContact C-N 3.34Å; G274-E313 WeakPolarHBondContact CA-OE1 3.33Å
275	T	87.9	Confident	80.6	Confident	77 Å²	77	53.9 Å²	53.9	47%	0.472	30%	0.298	S	S	.	.	S	Bend	trans	-80.7	-42.5	-177.1	-62.4	0	0	0	0	112.5
276	Y	87.5	Confident	79.6	Confident	81 Å²	81	56.9 Å²	56.9	32%	0.318	32%	0.316	S	S	.	.	S	Bend	trans	-108.3	36.6	-167.9	-51.7	-75.8	0	0	0	112.9	E294 Y297 C312	Y276-E294 WeakPolarHBondContact O-CG 3.48Å; Y276-E294 PolarHBondContact O-N 3.21Å; Y276-Y297 HydrophobicContact CD1-CD1 4.41Å; Y276-Y297 HydrophobicContact CD1-CD2 4.04Å; Y276-Y297 AromaticContact CD1-CE1 3.98Å; Y276-Y297 HydrophobicContact CD1-CE1 3.98Å; Y276-Y297 AromaticContact CD1-CE2 3.56Å; Y276-Y297 HydrophobicContact CD1-CE2 3.56Å; Y276-Y297 HydrophobicContact CD1-CG 4.43Å; Y276-Y297 AromaticContact CD1-CZ 3.51Å; Y276-Y297 AromaticContact CD2-CD1 3.5Å; Y276-Y297 HydrophobicContact CD2-CD1 3.5Å; Y276-Y297 VanDerWaalsContact CD2-CD1 3.5Å; Y276-Y297 HydrophobicContact CD2-CD2 4.42Å; Y276-Y297 AromaticContact CD2-CE1 3.47Å; Y276-Y297 HydrophobicContact CD2-CE1 3.47Å; Y276-Y297 VanDerWaalsContact CD2-CE1 3.47Å; Y276-Y297 HydrophobicContact CD2-CE2 4.39Å; Y276-Y297 AromaticContact CD2-CG 3.99Å; Y276-Y297 HydrophobicContact CD2-CG 3.99Å; Y276-Y297 AromaticContact CD2-CZ 3.93Å; Y276-Y297 AromaticContact CE1-CE1 3.97Å; Y276-Y297 HydrophobicContact CE1-CE1 3.97Å; Y276-Y297 AromaticContact CE1-CE2 4Å; Y276-Y297 HydrophobicContact CE1-CE2 4Å; Y276-Y297 AromaticContact CE1-CZ 3.5Å; Y276-Y297 VanDerWaalsContact CE1-OH 3.32Å; Y276-Y297 WeakPolarHBondContact CE1-OH 3.49Å; Y276-Y297 AromaticContact CE2-CD1 3.96Å; Y276-Y297 HydrophobicContact CE2-CD1 3.96Å; Y276-Y297 AromaticContact CE2-CE1 3.47Å; Y276-Y297 HydrophobicContact CE2-CE1 3.47Å; Y276-Y297 VanDerWaalsContact CE2-CE1 3.47Å; Y276-Y297 AromaticContact CE2-CZ 3.93Å; Y276-Y297 AromaticContact CG-CD1 3.75Å; Y276-Y297 HydrophobicContact CG-CD1 3.75Å; Y276-Y297 AromaticContact CG-CD2 3.81Å; Y276-Y297 HydrophobicContact CG-CD2 3.81Å; Y276-Y297 AromaticContact CG-CE1 3.72Å; Y276-Y297 HydrophobicContact CG-CE1 3.72Å; Y276-Y297 AromaticContact CG-CE2 3.77Å; Y276-Y297 HydrophobicContact CG-CE2 3.77Å; Y276-Y297 AromaticContact CG-CG 3.78Å; Y276-Y297 HydrophobicContact CG-CG 3.78Å; Y276-Y297 AromaticContact CG-CZ 3.72Å; Y276-Y297 AromaticContact CZ-CE1 3.72Å; Y276-Y297 AromaticContact CZ-CZ 3.71Å; Y276-C312 VanDerWaalsContact C-CB 3.45Å; Y276-C312 WeakPolarHBondContact CB-O 3.5Å; Y276-C312 WeakPolarHBondContact CD2-O 3.38Å; Y276-C312 PolarHBondContact N-O 2.88Å; Y276-C312 WeakPolarHBondContact O-CB 3.47Å
277	G	85.6	Confident	78.7	Confident	12 Å²	12	55.9 Å²	55.9	12%	0.124	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.8	-172.8	0	0	0	0	0	113.4	C279 Q292	G277-C279 PolarHBondContact O-N 2.72Å; G277-Q292 CarbonylContact C-O 3.59Å; G277-Q292 WeakPolarHBondContact CA-O 3.49Å
278	K	83.3	Confident	77.9	Confident	82 Å²	82	51.7 Å²	51.7	36%	0.357	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	116.9	168.8	-175.5	-179.8	179.4	-176.3	0	108.3	D234 Q292	D234-K278 IonicContact OD2-NZ 3.72Å; D234-K278 PolarHBondContact OD2-NZ 2.75Å; K278-Q292 HydrophobicContact CB-CB 4.41Å; K278-Q292 PolarHBondContact N-O 2.81Å; K278-Q292 PolarHBondContact O-N 2.98Å
279	C	82.7	Confident	77.4	Confident	13 Å²	13	48.4 Å²	48.4	9%	0.088	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.1	175.2	177	0	0	0	0	111.2	C265 C273 G277 T290	C265-C279 VanDerWaalsContact CA-SG 3.54Å; C265-C279 HydrophobicContact CB-CB 3.52Å; C265-C279 WeakPolarHBondContact CB-SG 3.33Å; C265-C279 WeakPolarHBondContact SG-CB 3.26Å; C265-C279 CovalentContact SG-SG 2.02Å; C265-C279 PolarHBondContact SG-SG 2.82Å; C273-C279 HydrophobicContact CB-CB 4.41Å; C273-C279 VanDerWaalsContact SG-CB 3.59Å; G277-C279 PolarHBondContact O-N 2.72Å; C279-T290 WeakPolarHBondContact CA-O 3.32Å
280	R	77.2	Confident	76.9	Confident	18 Å²	18	40.6 Å²	40.6	7%	0.068	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.7	174.3	-73.5	-176.3	150.2	174.2	-6.9	110.7	D234 L289 T290 E456	D234-R280 IonicContact OD2-NH2 2.73Å; D234-R280 PolarHBondContact OD2-NH2 3.26Å; R280-L289 WeakPolarHBondContact O-CA 3.26Å; R280-T290 PolarHBondContact N-O 2.78Å; R280-T290 PolarHBondContact O-N 2.71Å; R280-E456 IonicContact CZ-OE2 2.73Å; R280-E456 IonicContact NH1-OE1 3.04Å; R280-E456 IonicContact NH1-OE2 3.9Å; R280-E456 PolarHBondContact NH1-OE2 3.32Å
281	N	68.9	Low	76.7	Confident	15 Å²	15	36.8 Å²	36.8	8%	0.08	20%	0.196	C	C	.	.	S	Bend	trans	55.3	65.4	172.7	-61.6	-18.1	0	0	0	115.6	L289 D454 F455	N281-L289 WeakPolarHBondContact O-CA 3.4Å; N281-D454 PolarHBondContact ND2-O 2.83Å; N281-F455 HydrophobicContact CB-CE1 4.42Å
282	A	68.4	Low	76.4	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.008	18%	0.177	C	C	.	.			trans	-146	104	174.4	0	0	0	0	0	112.4	S261 Q262 K263 G264 L289	S261-A282 CarbonylContact C-O 3.5Å; S261-A282 CarbonylContact O-C 3.55Å; S261-A282 PolarHBondContact O-N 2.84Å; Q262-A282 CarbonylContact C-O 3.21Å; Q262-A282 VanDerWaalsContact C-O 3.29Å; Q262-A282 WeakPolarHBondContact CA-O 3.48Å; Q262-A282 PolarHBondContact N-O 3.03Å; K263-A282 PolarHBondContact N-O 2.79Å; K263-A282 VanDerWaalsContact N-O 3.13Å; G264-A282 PolarHBondContact N-O 3.34Å; A282-L289 HydrophobicContact CB-CB 3.81Å
283	I	72.5	Confident	76.3	Confident	73 Å²	73	30.8 Å²	30.8	37%	0.374	17%	0.169	S	C	.	.	S	Bend	trans	-82.7	-42	163.9	-71	-176.2	0	0	0	109.8	N163 K263 G264 D287	N163-I283 VanDerWaalsContact ND2-CD1 3.33Å; N163-I283 WeakPolarHBondContact ND2-CD1 3.47Å; N163-I283 WeakPolarHBondContact OD1-CD1 3.42Å; K263-I283 CarbonylContact C-O 3.56Å; K263-I283 WeakPolarHBondContact CB-O 3.35Å; G264-I283 PolarHBondContact N-O 2.73Å; I283-D287 WeakPolarHBondContact CA-OD2 3.33Å; I283-D287 PolarHBondContact N-OD2 3.16Å
284	S	68	Low	76.3	Confident	37 Å²	37	35.4 Å²	35.4	26%	0.259	19%	0.19	S	C	.	.	S	Bend	trans	-112.2	150.5	177.2	96.8	0	0	0	0	111.3	G264 T286 D287	G264-S284 WeakPolarHBondContact CA-O 3.41Å; S284-T286 PolarHBondContact O-N 3.47Å; S284-T286 PolarHBondContact OG-N 2.92Å; S284-T286 VanDerWaalsContact OG-N 3.16Å; S284-T286 PolarHBondContact OG-OG1 3.39Å; S284-D287 VanDerWaalsContact CB-OD1 3.3Å; S284-D287 WeakPolarHBondContact CB-OD1 3.3Å; S284-D287 PolarHBondContact N-OD2 3.18Å; S284-D287 WeakPolarHBondContact O-CB 3.05Å; S284-D287 PolarHBondContact O-N 2.87Å; S284-D287 VanDerWaalsContact O-N 3.09Å; S284-D287 VanDerWaalsContact OG-CG 3.29Å; S284-D287 PolarHBondContact OG-N 2.86Å; S284-D287 PolarHBondContact OG-OD1 2.93Å
285	S	63.8	Low	76.1	Confident	33 Å²	33	36.5 Å²	36.5	23%	0.231	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	3.4	175.9	81.7	0	0	0	0	113.7	G264 R267 R309	G264-S285 WeakPolarHBondContact O-CA 3.37Å; R267-S285 PolarHBondContact NE-OG 3.23Å; R267-S285 PolarHBondContact NH2-O 3.04Å; S285-R309 PolarHBondContact O-NH1 2.91Å
286	T	64.8	Low	75.9	Confident	75 Å²	75	32.9 Å²	32.9	46%	0.46	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-4.4	174.2	36.1	0	0	0	0	113.3	S284 R309 D704	S284-T286 PolarHBondContact O-N 3.47Å; S284-T286 PolarHBondContact OG-N 2.92Å; S284-T286 VanDerWaalsContact OG-N 3.16Å; S284-T286 PolarHBondContact OG-OG1 3.39Å; T286-R309 VanDerWaalsContact C-NH2 3.28Å; T286-R309 PolarHBondContact O-NH2 2.92Å; T286-D704 WeakPolarHBondContact CA-OD1 3.38Å
287	D	65.4	Low	75.8	Confident	46 Å²	46	30.3 Å²	30.3	25%	0.246	16%	0.164	C	C	.	.	S	Bend	trans	-69.2	161.3	177.2	-60.4	-7.8	0	0	0	111.6	I283 S284 L289 R309	I283-D287 WeakPolarHBondContact CA-OD2 3.33Å; I283-D287 PolarHBondContact N-OD2 3.16Å; S284-D287 VanDerWaalsContact CB-OD1 3.3Å; S284-D287 WeakPolarHBondContact CB-OD1 3.3Å; S284-D287 PolarHBondContact N-OD2 3.18Å; S284-D287 WeakPolarHBondContact O-CB 3.05Å; S284-D287 PolarHBondContact O-N 2.87Å; S284-D287 VanDerWaalsContact O-N 3.09Å; S284-D287 VanDerWaalsContact OG-CG 3.29Å; S284-D287 PolarHBondContact OG-N 2.86Å; S284-D287 PolarHBondContact OG-OD1 2.93Å; D287-L289 VanDerWaalsContact C-N 3.34Å; D287-L289 PolarHBondContact O-N 2.82Å; D287-R309 PolarHBondContact O-NH2 2.91Å
288	I	63.6	Low	75.6	Confident	25 Å²	25	32.5 Å²	32.5	13%	0.128	17%	0.168	C	C	.	.			trans	-74.6	91.6	168.4	-58.4	176.8	0	0	0	107.7	F455 P706 W708	I288-F455 HydrophobicContact CB-CE1 3.9Å; I288-F455 HydrophobicContact CB-CZ 3.88Å; I288-F455 HydrophobicContact CG2-CD1 4.03Å; I288-F455 HydrophobicContact CG2-CE1 3.85Å; I288-F455 HydrophobicContact CG2-CE2 4.38Å; I288-F455 HydrophobicContact CG2-CG 4.4Å; I288-F455 HydrophobicContact CG2-CZ 4.02Å; I288-F455 WeakPolarHBondContact O-CE1 3.43Å; I288-P706 HydrophobicContact CD1-CB 4.2Å; I288-P706 HydrophobicContact CD1-CG 4.2Å; I288-W708 HydrophobicContact CD1-CH2 4.14Å
289	L	72.2	Confident	75.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.			trans	-86.9	157.2	174.4	71.1	87.2	0	0	0	111.7	L272 R280 N281 A282 D287 C291 H308 R309	L272-L289 HydrophobicContact CB-CD2 3.94Å; L272-L289 HydrophobicContact CD1-CD2 3.48Å; L272-L289 VanDerWaalsContact CD1-CD2 3.48Å; L272-L289 HydrophobicContact CG-CD2 4.36Å; R280-L289 WeakPolarHBondContact O-CA 3.26Å; N281-L289 WeakPolarHBondContact O-CA 3.4Å; A282-L289 HydrophobicContact CB-CB 3.81Å; D287-L289 VanDerWaalsContact C-N 3.34Å; D287-L289 PolarHBondContact O-N 2.82Å; L289-C291 WeakPolarHBondContact CD1-SG 3.26Å; L289-H308 CarbonylContact O-C 3.46Å; L289-H308 WeakPolarHBondContact O-CB 3.48Å; L289-H308 PolarHBondContact O-CD2 2.83Å; L289-R309 HydrophobicContact CD1-CG 3.88Å; L289-R309 HydrophobicContact CD2-CG 4.12Å; L289-R309 HydrophobicContact CG-CG 3.78Å
290	T	73.5	Confident	75.2	Confident	6 Å²	6	30.7 Å²	30.7	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.6	170	-72.6	0	0	0	0	110.5	C279 R280 E456	C279-T290 WeakPolarHBondContact CA-O 3.32Å; R280-T290 PolarHBondContact N-O 2.78Å; R280-T290 PolarHBondContact O-N 2.71Å; T290-E456 WeakPolarHBondContact CB-O 3.4Å; T290-E456 WeakPolarHBondContact CG2-O 3.46Å; T290-E456 PolarHBondContact OG1-O 2.81Å
291	C	79.4	Confident	74.9	Confident	16 Å²	16	34.1 Å²	34.1	11%	0.108	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112	169.6	-60.8	0	0	0	0	111.2	C273 L289 W310	C273-C291 WeakPolarHBondContact CA-SG 3.19Å; C273-C291 HydrophobicContact CB-CB 3.6Å; C273-C291 WeakPolarHBondContact CB-SG 3.4Å; C273-C291 WeakPolarHBondContact SG-CA 3.47Å; C273-C291 WeakPolarHBondContact SG-CB 3.39Å; C273-C291 CovalentContact SG-SG 2.04Å; C273-C291 PolarHBondContact SG-SG 2.91Å; L289-C291 WeakPolarHBondContact CD1-SG 3.26Å; C291-W310 WeakPolarHBondContact CB-O 3.37Å
292	Q	81	Confident	74.8	Confident	30 Å²	30	38.6 Å²	38.6	14%	0.14	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.7	170.9	171.4	177.4	29.6	0	0	109.2	G277 K278 D458	G277-Q292 CarbonylContact C-O 3.59Å; G277-Q292 WeakPolarHBondContact CA-O 3.49Å; K278-Q292 HydrophobicContact CB-CB 4.41Å; K278-Q292 PolarHBondContact N-O 2.81Å; K278-Q292 PolarHBondContact O-N 2.98Å; Q292-D458 WeakPolarHBondContact CG-OD2 3.21Å
293	C	84.1	Confident	74.5	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.02	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141	-178.3	-58.9	0	0	0	0	113.7	Y297 P299 C312 R339 W445	C293-Y297 WeakPolarHBondContact CB-O 3.02Å; C293-P299 VanDerWaalsContact SG-CD 3.59Å; C293-C312 WeakPolarHBondContact CA-SG 3.44Å; C293-C312 HydrophobicContact CB-CB 3.77Å; C293-C312 WeakPolarHBondContact CB-SG 3.43Å; C293-C312 WeakPolarHBondContact SG-CB 3.5Å; C293-C312 CovalentContact SG-SG 2.04Å; C293-C312 PolarHBondContact SG-SG 3.32Å; C293-R339 PolarHBondContact O-NH1 3.24Å; C293-R339 VanDerWaalsContact O-NH1 3.11Å; C293-R339 PolarHBondContact O-NH2 3.19Å; C293-W445 HydrophobicContact CB-CH2 4.33Å; C293-W445 HydrophobicContact CB-CZ2 4.5Å
294	E	85.1	Confident	73.9	Confident	98 Å²	98	40.4 Å²	40.4	46%	0.458	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-62	153.7	169.7	-69.3	171.1	-152.6	0	0	111.7	Y276 G296 Y297	Y276-E294 WeakPolarHBondContact O-CG 3.48Å; Y276-E294 PolarHBondContact O-N 3.21Å; E294-G296 PolarHBondContact O-N 3.16Å; E294-Y297 HydrophobicContact CB-CD2 3.98Å; E294-Y297 PolarHBondContact O-N 3.01Å
295	L	84.1	Confident	73.3	Confident	26 Å²	26	42.5 Å²	42.5	14%	0.136	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	123.2	-172.9	-66.7	172.1	0	0	0	113.4	R339 V391 E407 D443	L295-R339 VanDerWaalsContact CD2-NH2 3.29Å; L295-V391 HydrophobicContact CD1-CG2 3.61Å; L295-V391 HydrophobicContact CD2-CB 4.28Å; L295-V391 HydrophobicContact CD2-CG1 3.87Å; L295-V391 HydrophobicContact CD2-CG2 3.39Å; L295-V391 HydrophobicContact CG-CG2 4.13Å; L295-E407 WeakPolarHBondContact CD2-OE1 3.43Å; L295-E407 WeakPolarHBondContact CG-OE1 3.5Å; L295-D443 WeakPolarHBondContact CD2-OD2 3.18Å
296	G	82.2	Confident	73.2	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.01	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	12.4	-176.3	0	0	0	0	0	114.2	E294 S316	E294-G296 PolarHBondContact O-N 3.16Å; G296-S316 PolarHBondContact O-N 2.83Å
297	Y	85.7	Confident	73	Confident	26 Å²	26	40 Å²	40	10%	0.102	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.3	167.9	-61	-82.5	0	0	0	111.4	Y276 C293 E294 T314 V315	Y276-Y297 HydrophobicContact CD1-CD1 4.41Å; Y276-Y297 HydrophobicContact CD1-CD2 4.04Å; Y276-Y297 AromaticContact CD1-CE1 3.98Å; Y276-Y297 HydrophobicContact CD1-CE1 3.98Å; Y276-Y297 AromaticContact CD1-CE2 3.56Å; Y276-Y297 HydrophobicContact CD1-CE2 3.56Å; Y276-Y297 HydrophobicContact CD1-CG 4.43Å; Y276-Y297 AromaticContact CD1-CZ 3.51Å; Y276-Y297 AromaticContact CD2-CD1 3.5Å; Y276-Y297 HydrophobicContact CD2-CD1 3.5Å; Y276-Y297 VanDerWaalsContact CD2-CD1 3.5Å; Y276-Y297 HydrophobicContact CD2-CD2 4.42Å; Y276-Y297 AromaticContact CD2-CE1 3.47Å; Y276-Y297 HydrophobicContact CD2-CE1 3.47Å; Y276-Y297 VanDerWaalsContact CD2-CE1 3.47Å; Y276-Y297 HydrophobicContact CD2-CE2 4.39Å; Y276-Y297 AromaticContact CD2-CG 3.99Å; Y276-Y297 HydrophobicContact CD2-CG 3.99Å; Y276-Y297 AromaticContact CD2-CZ 3.93Å; Y276-Y297 AromaticContact CE1-CE1 3.97Å; Y276-Y297 HydrophobicContact CE1-CE1 3.97Å; Y276-Y297 AromaticContact CE1-CE2 4Å; Y276-Y297 HydrophobicContact CE1-CE2 4Å; Y276-Y297 AromaticContact CE1-CZ 3.5Å; Y276-Y297 VanDerWaalsContact CE1-OH 3.32Å; Y276-Y297 WeakPolarHBondContact CE1-OH 3.49Å; Y276-Y297 AromaticContact CE2-CD1 3.96Å; Y276-Y297 HydrophobicContact CE2-CD1 3.96Å; Y276-Y297 AromaticContact CE2-CE1 3.47Å; Y276-Y297 HydrophobicContact CE2-CE1 3.47Å; Y276-Y297 VanDerWaalsContact CE2-CE1 3.47Å; Y276-Y297 AromaticContact CE2-CZ 3.93Å; Y276-Y297 AromaticContact CG-CD1 3.75Å; Y276-Y297 HydrophobicContact CG-CD1 3.75Å; Y276-Y297 AromaticContact CG-CD2 3.81Å; Y276-Y297 HydrophobicContact CG-CD2 3.81Å; Y276-Y297 AromaticContact CG-CE1 3.72Å; Y276-Y297 HydrophobicContact CG-CE1 3.72Å; Y276-Y297 AromaticContact CG-CE2 3.77Å; Y276-Y297 HydrophobicContact CG-CE2 3.77Å; Y276-Y297 AromaticContact CG-CG 3.78Å; Y276-Y297 HydrophobicContact CG-CG 3.78Å; Y276-Y297 AromaticContact CG-CZ 3.72Å; Y276-Y297 AromaticContact CZ-CE1 3.72Å; Y276-Y297 AromaticContact CZ-CZ 3.71Å; C293-Y297 WeakPolarHBondContact CB-O 3.02Å; E294-Y297 HydrophobicContact CB-CD2 3.98Å; E294-Y297 PolarHBondContact O-N 3.01Å; Y297-T314 CarbonylContact C-O 3.27Å; Y297-T314 VanDerWaalsContact CA-O 3.27Å; Y297-T314 WeakPolarHBondContact CA-O 3.49Å; Y297-V315 HydrophobicContact CD1-CG2 4.35Å; Y297-V315 HydrophobicContact CE1-CG2 4.09Å
298	R	81.3	Confident	72.9	Confident	59 Å²	59	38 Å²	38	22%	0.223	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.1	-178	64.5	-173.3	171.3	124.2	0.1	113.3	N300 T314 V315 D317 W445 E462	R298-N300 PolarHBondContact O-N 3.41Å; R298-T314 HydrophobicContact CG-CG2 4.32Å; R298-T314 PolarHBondContact N-O 3.02Å; R298-T314 WeakPolarHBondContact O-CB 3.43Å; R298-T314 PolarHBondContact O-N 2.83Å; R298-V315 PolarHBondContact NE-O 2.9Å; R298-D317 IonicContact NH2-OD2 3.87Å; R298-D317 PolarHBondContact NH2-OD2 2.69Å; R298-W445 HydrophobicContact CB-CH2 3.88Å; R298-W445 HydrophobicContact CB-CZ2 4.38Å; R298-E462 IonicContact NH1-OE2 2.94Å; R298-E462 PolarHBondContact NH1-OE2 2.73Å
299	P	78.3	Confident	73.1	Confident	11 Å²	11	38.6 Å²	38.6	7%	0.071	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-37.2	125.1	166.8	-41.5	44	0	0	0	114	C293 I301 W310 T314 W445 P460 I463	C293-P299 VanDerWaalsContact SG-CD 3.59Å; P299-I301 HydrophobicContact CB-CG2 3.93Å; P299-I301 PolarHBondContact O-N 3.28Å; P299-W310 HydrophobicContact CB-CB 3.63Å; P299-W310 HydrophobicContact CB-CD2 4.12Å; P299-W310 HydrophobicContact CB-CE3 4.12Å; P299-W310 HydrophobicContact CB-CG 3.95Å; P299-W310 HydrophobicContact CG-CB 3.97Å; P299-W310 HydrophobicContact CG-CE3 4.15Å; P299-T314 PolarHBondContact O-OG1 2.89Å; P299-W445 VanDerWaalsContact CD-CZ3 3.48Å; P299-W445 HydrophobicContact CG-CH2 4.32Å; P299-W445 HydrophobicContact CG-CZ3 3.98Å; P299-P460 HydrophobicContact CG-CG 4.32Å; P299-I463 HydrophobicContact CB-CD1 4.15Å; P299-I463 HydrophobicContact CG-CD1 4.46Å
300	N	79.3	Confident	73.4	Confident	46 Å²	46	39 Å²	39	25%	0.246	23%	0.227	C	C	.	.			trans	-73.9	100.4	152.4	-176.4	2.4	0	0	0	108.5	R298 T302 P311 T314	R298-N300 PolarHBondContact O-N 3.41Å; N300-T302 PolarHBondContact O-N 2.8Å; N300-T302 WeakPolarHBondContact OD1-CB 3.29Å; N300-T302 PolarHBondContact OD1-N 3.06Å; N300-T302 PolarHBondContact OD1-OG1 2.96Å; N300-P311 HydrophobicContact CB-CG 4.3Å; N300-P311 PolarHBondContact N-O 2.9Å; N300-T314 WeakPolarHBondContact CA-OG1 3.06Å; N300-T314 PolarHBondContact N-OG1 3.46Å
301	I	70.7	Confident	73.9	Confident	90 Å²	90	39.9 Å²	39.9	46%	0.462	23%	0.233	S	C	.	.			trans	-76.8	-11.9	179	67.4	177.6	0	0	0	113.1	P299 G303 I463	P299-I301 HydrophobicContact CB-CG2 3.93Å; P299-I301 PolarHBondContact O-N 3.28Å; I301-G303 PolarHBondContact O-N 3.1Å; I301-I463 HydrophobicContact CG2-CD1 3.22Å; I301-I463 HydrophobicContact CG2-CG1 3.76Å
302	T	68.3	Low	74.2	Confident	108 Å²	108	39.1 Å²	39.1	66%	0.663	23%	0.228	S	C	*	.	S	Bend	trans	-83.9	111.2	-172.9	67.2	0	0	0	0	110.5	N300	N300-T302 PolarHBondContact O-N 2.8Å; N300-T302 WeakPolarHBondContact OD1-CB 3.29Å; N300-T302 PolarHBondContact OD1-N 3.06Å; N300-T302 PolarHBondContact OD1-OG1 2.96Å
303	G	61.5	Low	74.5	Confident	84 Å²	84	42.4 Å²	42.4	87%	0.866	24%	0.243	S	C	*	.	S	Bend	trans	92	-11.4	175.5	0	0	0	0	0	116.3	I301 P305	I301-G303 PolarHBondContact O-N 3.1Å; G303-P305 WeakPolarHBondContact O-CD 3.44Å
304	A	58.7	Low	74.5	Confident	28 Å²	28	44.2 Å²	44.2	23%	0.231	25%	0.254	C	S	.	.			trans	-100.1	107.8	176.7	0	0	0	0	0	110.8	K306 W310	A304-K306 PolarHBondContact O-N 3.07Å; A304-W310 PolarHBondContact O-NE1 2.88Å
305	P	55.7	Low	74.5	Confident	81 Å²	81	42.4 Å²	42.4	53%	0.526	25%	0.25	S	C	.	.			trans	-73.6	-12.2	-174	28.2	-34.9	0	0	0	114.2	G303 F711	G303-P305 WeakPolarHBondContact O-CD 3.44Å; P305-F711 HydrophobicContact CB-CE1 3.99Å; P305-F711 HydrophobicContact CB-CZ 4.08Å; P305-F711 WeakPolarHBondContact O-CZ 3.32Å
306	K	62.2	Low	74.4	Confident	42 Å²	42	41.9 Å²	41.9	18%	0.183	25%	0.248	C	C	.	.			trans	-112.2	114.9	-165	-75	167.1	-174.9	-174.5	0	111.4	A304 H308 R309 D704	A304-K306 PolarHBondContact O-N 3.07Å; K306-H308 PolarHBondContact O-N 3.2Å; K306-H308 VanDerWaalsContact O-N 3.1Å; K306-R309 PolarHBondContact O-N 3Å; K306-R309 VanDerWaalsContact O-N 3.15Å; K306-D704 WeakPolarHBondContact CD-O 3.24Å; K306-D704 WeakPolarHBondContact CE-O 3.21Å; K306-D704 PolarHBondContact NZ-O 3.21Å
307	P	61.6	Low	74.2	Confident	13 Å²	13	46.6 Å²	46.6	8%	0.084	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.8	-172.4	30.1	-37.5	0	0	0	114.1	W310 Q457 Y459 E709	P307-W310 HydrophobicContact CB-CD2 4.44Å; P307-W310 HydrophobicContact CB-CE3 4Å; P307-W310 HydrophobicContact CB-CH2 3.4Å; P307-W310 HydrophobicContact CB-CZ2 3.91Å; P307-W310 HydrophobicContact CB-CZ3 3.45Å; P307-W310 VanDerWaalsContact CB-CZ3 3.45Å; P307-Q457 PolarHBondContact O-NE2 3.01Å; P307-Y459 HydrophobicContact CB-CE1 4.12Å; P307-Y459 HydrophobicContact CG-CE1 4.47Å; P307-E709 WeakPolarHBondContact CD-OE1 3.48Å; P307-E709 VanDerWaalsContact CG-OE1 3.26Å; P307-E709 WeakPolarHBondContact CG-OE1 3.34Å
308	H	62.4	Low	74.1	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.028	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-20.2	-179.8	65.2	-87	0	0	0	112.3	L289 K306 Q457	L289-H308 CarbonylContact O-C 3.46Å; L289-H308 WeakPolarHBondContact O-CB 3.48Å; L289-H308 PolarHBondContact O-CD2 2.83Å; K306-H308 PolarHBondContact O-N 3.2Å; K306-H308 VanDerWaalsContact O-N 3.1Å; H308-Q457 VanDerWaalsContact N-NE2 3.19Å
309	R	67.9	Low	74.2	Confident	36 Å²	36	43.6 Å²	43.6	14%	0.136	26%	0.264	C	S	.	.	S	Bend	trans	-115.8	29.5	-178.5	-72.6	172.4	-167.4	-164	15.5	113.2	S285 T286 D287 L289 K306 P311 D704	S285-R309 PolarHBondContact O-NH1 2.91Å; T286-R309 VanDerWaalsContact C-NH2 3.28Å; T286-R309 PolarHBondContact O-NH2 2.92Å; D287-R309 PolarHBondContact O-NH2 2.91Å; L289-R309 HydrophobicContact CD1-CG 3.88Å; L289-R309 HydrophobicContact CD2-CG 4.12Å; L289-R309 HydrophobicContact CG-CG 3.78Å; K306-R309 PolarHBondContact O-N 3Å; K306-R309 VanDerWaalsContact O-N 3.15Å; R309-P311 WeakPolarHBondContact O-CD 3.43Å; R309-D704 IonicContact CZ-OD1 3.15Å; R309-D704 IonicContact NH1-OD1 2.72Å; R309-D704 PolarHBondContact NH1-OD1 3.01Å; R309-D704 IonicContact NH2-OD1 2.75Å; R309-D704 PolarHBondContact NH2-OD1 3.17Å
310	W	78.2	Confident	74.5	Confident	10 Å²	10	43.4 Å²	43.4	4%	0.038	26%	0.263	C	S	.	.			trans	-73.2	124.9	174.6	-78.1	-38.4	0	0	0	111.1	C291 P299 A304 P307 I463 F469	C291-W310 WeakPolarHBondContact CB-O 3.37Å; P299-W310 HydrophobicContact CB-CB 3.63Å; P299-W310 HydrophobicContact CB-CD2 4.12Å; P299-W310 HydrophobicContact CB-CE3 4.12Å; P299-W310 HydrophobicContact CB-CG 3.95Å; P299-W310 HydrophobicContact CG-CB 3.97Å; P299-W310 HydrophobicContact CG-CE3 4.15Å; A304-W310 PolarHBondContact O-NE1 2.88Å; P307-W310 HydrophobicContact CB-CD2 4.44Å; P307-W310 HydrophobicContact CB-CE3 4Å; P307-W310 HydrophobicContact CB-CH2 3.4Å; P307-W310 HydrophobicContact CB-CZ2 3.91Å; P307-W310 HydrophobicContact CB-CZ3 3.45Å; P307-W310 VanDerWaalsContact CB-CZ3 3.45Å; W310-I463 HydrophobicContact CD2-CD1 4.37Å; W310-I463 HydrophobicContact CE3-CD1 3.71Å; W310-I463 HydrophobicContact CH2-CD1 3.76Å; W310-I463 HydrophobicContact CH2-CG2 3.49Å; W310-I463 VanDerWaalsContact CH2-CG2 3.49Å; W310-I463 HydrophobicContact CZ2-CD1 4.38Å; W310-I463 HydrophobicContact CZ2-CG2 4.4Å; W310-I463 HydrophobicContact CZ3-CD1 3.38Å; W310-I463 HydrophobicContact CZ3-CG2 3.89Å; W310-F469 HydrophobicContact CH2-CE1 4.28Å; W310-F469 HydrophobicContact CH2-CZ 4.03Å; W310-F469 HydrophobicContact CZ2-CE1 4.4Å; W310-F469 HydrophobicContact CZ2-CZ 4.11Å
311	P	83.8	Confident	74.6	Confident	24 Å²	24	41.4 Å²	41.4	16%	0.156	25%	0.252	C	S	.	.			trans	-77.3	134.5	179.8	32	-33.9	0	0	0	110.7	N300 R309 E313	N300-P311 HydrophobicContact CB-CG 4.3Å; N300-P311 PolarHBondContact N-O 2.9Å; R309-P311 WeakPolarHBondContact O-CD 3.43Å; P311-E313 HydrophobicContact CB-CG 4.08Å; P311-E313 PolarHBondContact O-N 3.08Å; P311-E313 VanDerWaalsContact O-N 3.12Å
312	C	86.3	Confident	74.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	87.8	177.5	-58.6	0	0	0	0	109.1	C273 Y276 C293	C273-C312 PolarHBondContact O-N 3.08Å; Y276-C312 VanDerWaalsContact C-CB 3.45Å; Y276-C312 WeakPolarHBondContact CB-O 3.5Å; Y276-C312 WeakPolarHBondContact CD2-O 3.38Å; Y276-C312 PolarHBondContact N-O 2.88Å; Y276-C312 WeakPolarHBondContact O-CB 3.47Å; C293-C312 WeakPolarHBondContact CA-SG 3.44Å; C293-C312 HydrophobicContact CB-CB 3.77Å; C293-C312 WeakPolarHBondContact CB-SG 3.43Å; C293-C312 WeakPolarHBondContact SG-CB 3.5Å; C293-C312 CovalentContact SG-SG 2.04Å; C293-C312 PolarHBondContact SG-SG 3.32Å
313	E	86.1	Confident	74.2	Confident	98 Å²	98	38.9 Å²	38.9	46%	0.458	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	-12.8	-173.4	-63.7	-174.8	151.6	0	0	113.5	G274 P311	G274-E313 WeakPolarHBondContact CA-OE1 3.33Å; P311-E313 HydrophobicContact CB-CG 4.08Å; P311-E313 PolarHBondContact O-N 3.08Å; P311-E313 VanDerWaalsContact O-N 3.12Å
314	T	85.3	Confident	73.9	Confident	42 Å²	42	37.3 Å²	37.3	26%	0.258	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.6	178.2	-38.6	0	0	0	0	109.1	Y297 R298 P299 N300	Y297-T314 CarbonylContact C-O 3.27Å; Y297-T314 VanDerWaalsContact CA-O 3.27Å; Y297-T314 WeakPolarHBondContact CA-O 3.49Å; R298-T314 HydrophobicContact CG-CG2 4.32Å; R298-T314 PolarHBondContact N-O 3.02Å; R298-T314 WeakPolarHBondContact O-CB 3.43Å; R298-T314 PolarHBondContact O-N 2.83Å; P299-T314 PolarHBondContact O-OG1 2.89Å; N300-T314 WeakPolarHBondContact CA-OG1 3.06Å; N300-T314 PolarHBondContact N-OG1 3.46Å
315	V	84.5	Confident	73.9	Confident	60 Å²	60	39 Å²	39	36%	0.364	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	144.1	167.5	174.4	0	0	0	0	109.3	N48 Y297 R298	N48-V315 WeakPolarHBondContact ND2-CG1 3.34Å; Y297-V315 HydrophobicContact CD1-CG2 4.35Å; Y297-V315 HydrophobicContact CE1-CG2 4.09Å; R298-V315 PolarHBondContact NE-O 2.9Å
316	S	82	Confident	74	Confident	14 Å²	14	35.4 Å²	35.4	10%	0.098	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-88.9	132	175.8	-151.6	0	0	0	0	111.1	G296 D442	G296-S316 PolarHBondContact O-N 2.83Å; S316-D442 WeakPolarHBondContact CB-OD1 3.43Å; S316-D442 PolarHBondContact OG-OD1 2.95Å
317	D	79.2	Confident	73.7	Confident	100 Å²	100	37.6 Å²	37.6	54%	0.535	21%	0.208	S	C	.	.			trans	-109	86.3	-171.9	-69.4	-62.9	0	0	0	110.4	R298	R298-D317 IonicContact NH2-OD2 3.87Å; R298-D317 PolarHBondContact NH2-OD2 2.69Å
318	G	82.6	Confident	73.4	Confident	8 Å²	8	37.1 Å²	37.1	8%	0.082	21%	0.205	C	C	.	.			trans	-57.3	145.4	-178.3	0	0	0	0	0	114.4	L441 G483	G318-L441 CarbonylContact C-O 3.47Å; G318-L441 WeakPolarHBondContact CA-O 3.16Å; G318-G483 CarbonylContact O-C 3.59Å; G318-G483 WeakPolarHBondContact O-CA 3.39Å; G318-G483 PolarHBondContact O-N 2.86Å; G318-G483 VanDerWaalsContact O-N 3.09Å
319	W	83	Confident	73.3	Confident	15 Å²	15	39.9 Å²	39.9	6%	0.057	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	151.2	-179.4	61	90.1	0	0	0	112	C440 L441 A444 W475 R480 Q481	W319-C440 WeakPolarHBondContact O-CA 3.46Å; W319-L441 HydrophobicContact CD2-CB 4.34Å; W319-L441 HydrophobicContact CZ2-CB 3.74Å; W319-L441 PolarHBondContact N-O 3.05Å; W319-L441 PolarHBondContact O-N 2.84Å; W319-A444 HydrophobicContact CH2-CB 4.12Å; W319-W475 HydrophobicContact CH2-CZ2 4.37Å; W319-W475 AromaticContact CZ2-CZ2 3.91Å; W319-W475 HydrophobicContact CZ2-CZ2 3.91Å; W319-R480 HydrophobicContact CB-CB 4.31Å; W319-R480 HydrophobicContact CG-CB 4.32Å; W319-R480 HydrophobicContact CG-CG 4.22Å; W319-Q481 CarbonylContact C-O 3.54Å; W319-Q481 VanDerWaalsContact CA-O 3.29Å; W319-Q481 WeakPolarHBondContact CA-O 3.22Å; W319-Q481 WeakPolarHBondContact CB-O 3.4Å
320	S	84.4	Confident	73	Confident	7 Å²	7	38.4 Å²	38.4	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	151.2	177.4	43.4	0	0	0	0	112.9	T439 Q481 G483	S320-T439 CarbonylContact C-O 3.54Å; S320-T439 VanDerWaalsContact CA-O 3.3Å; S320-T439 WeakPolarHBondContact CA-O 3.17Å; S320-Q481 PolarHBondContact N-O 3.48Å; S320-Q481 PolarHBondContact O-N 2.86Å; S320-Q481 PolarHBondContact OG-O 2.87Å; S320-G483 PolarHBondContact OG-O 3.08Å
321	T	81.3	Confident	71.9	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.2	-171.3	54.6	0	0	0	0	114.4	Y326 A433 A436 D438 T439 L441	T321-Y326 HydrophobicContact CG2-CE2 3.97Å; T321-A433 HydrophobicContact CG2-CB 3.87Å; T321-A436 WeakPolarHBondContact CB-O 3.17Å; T321-A436 PolarHBondContact OG1-O 2.77Å; T321-D438 PolarHBondContact O-N 2.86Å; T321-D438 PolarHBondContact OG1-N 2.92Å; T321-T439 WeakPolarHBondContact CG2-O 3.42Å; T321-T439 PolarHBondContact N-O 3.48Å; T321-T439 PolarHBondContact OG1-N 3.12Å; T321-T439 VanDerWaalsContact OG1-N 3.12Å; T321-T439 PolarHBondContact OG1-O 2.63Å; T321-L441 HydrophobicContact CG2-CD1 3.8Å; T321-L441 HydrophobicContact CG2-CG 4.22Å
322	T	69	Low	70.6	Confident	50 Å²	50	44.1 Å²	44.1	31%	0.307	25%	0.246	S	C	.	.			trans	-105.2	42	179.1	73.9	0	0	0	0	114.4	T324 G479 Q481	T322-T324 PolarHBondContact O-N 2.77Å; T322-T324 VanDerWaalsContact O-N 3.13Å; T322-G479 WeakPolarHBondContact CG2-O 3.08Å; T322-G479 PolarHBondContact N-O 2.73Å; T322-G479 WeakPolarHBondContact OG1-CA 3.28Å; T322-G479 PolarHBondContact OG1-O 3.1Å; T322-G479 VanDerWaalsContact OG1-O 3.12Å; T322-Q481 HydrophobicContact CG2-CG 3.64Å
323	N	62.7	Low	69.4	Low	94 Å²	94	47.6 Å²	47.6	50%	0.503	26%	0.261	S	S	.	.	S	Bend	trans	62.2	4.2	-174.7	-71.3	-10.5	0	0	0	116.6	K437	N323-K437 WeakPolarHBondContact OD1-CA 3.47Å; N323-K437 WeakPolarHBondContact OD1-CB 3.43Å; N323-K437 VanDerWaalsContact OD1-CG 3.29Å; N323-K437 WeakPolarHBondContact OD1-CG 3.42Å; N323-K437 PolarHBondContact OD1-N 2.85Å
324	T	54.2	Low	68.6	Low	52 Å²	52	44 Å²	44	32%	0.319	25%	0.246	S	C	.	.			trans	-75	139.9	174.4	47	0	0	0	0	110.7	T322 A478 G479	T322-T324 PolarHBondContact O-N 2.77Å; T322-T324 VanDerWaalsContact O-N 3.13Å; T324-A478 PolarHBondContact OG1-O 2.64Å; T324-G479 WeakPolarHBondContact OG1-CA 3.18Å
325	V	59.2	Low	68.1	Low	62 Å²	62	42.1 Å²	42.1	38%	0.376	23%	0.234	S	C	.	.			trans	-75.8	123	163.5	177	0	0	0	0	107.6	N327 I431 N434	V325-N327 WeakPolarHBondContact CG1-OD1 3.43Å; V325-N327 PolarHBondContact O-N 2.9Å; V325-I431 HydrophobicContact CG1-CB 4.39Å; V325-I431 HydrophobicContact CG1-CG1 4Å; V325-I431 HydrophobicContact CG1-CG2 4.12Å; V325-N434 HydrophobicContact CG2-CB 4.33Å
326	Y	57.5	Low	67.9	Low	7 Å²	7	39.8 Å²	39.8	3%	0.027	22%	0.219	C	C	.	.			trans	-79.3	108.7	164.8	-52.7	-75.4	0	0	0	108.2	T321 I432 L441 G476 A478 G479 R480	T321-Y326 HydrophobicContact CG2-CE2 3.97Å; Y326-I432 HydrophobicContact CD2-CB 4.12Å; Y326-L441 HydrophobicContact CE2-CD1 4.44Å; Y326-G476 WeakPolarHBondContact CD1-O 3.34Å; Y326-A478 WeakPolarHBondContact CE1-O 3.39Å; Y326-G479 PolarHBondContact OH-O 3.41Å; Y326-R480 HydrophobicContact CE1-CG 3.5Å; Y326-R480 WeakPolarHBondContact OH-CG 3.36Å
327	N	55.5	Low	68	Low	88 Å²	88	39.5 Å²	39.5	47%	0.471	22%	0.216	S	C	.	.			trans	-80.5	143	159.2	-72.5	28.5	0	0	0	108.4	V325 D429 I430	V325-N327 WeakPolarHBondContact CG1-OD1 3.43Å; V325-N327 PolarHBondContact O-N 2.9Å; N327-D429 PolarHBondContact ND2-OD1 3.12Å; N327-I430 WeakPolarHBondContact CA-O 3.22Å
328	A	56.8	Low	68.3	Low	2 Å²	2	35.1 Å²	35.1	2%	0.017	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.1	167.6	0	0	0	0	0	109.8	I430 T473 D474 W475	A328-I430 HydrophobicContact CB-CB 4.22Å; A328-I430 HydrophobicContact CB-CD1 3.77Å; A328-I430 HydrophobicContact CB-CG1 4.08Å; A328-I430 PolarHBondContact O-N 2.97Å; A328-T473 HydrophobicContact CB-CG2 3.91Å; A328-D474 VanDerWaalsContact CA-O 3.27Å; A328-D474 WeakPolarHBondContact CA-O 3.43Å; A328-D474 WeakPolarHBondContact CB-O 3.14Å; A328-W475 HydrophobicContact CB-CE3 4.42Å
329	L	59.8	Low	68.6	Low	65 Å²	65	34.9 Å²	34.9	34%	0.34	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.9	-172	-68.6	166.1	0	0	0	110.7	L427	L329-L427 HydrophobicContact CB-CD2 4.13Å; L329-L427 HydrophobicContact CD2-CD2 4.36Å
330	F	61	Low	68.8	Low	4 Å²	4	34.4 Å²	34.4	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.9	165.4	-60.6	-64.3	0	0	0	109.8	W357 L427 V428 I430 I446 F448 T473	F330-W357 AromaticContact CD2-CH2 3.56Å; F330-W357 HydrophobicContact CD2-CH2 3.56Å; F330-W357 HydrophobicContact CD2-CZ2 4.07Å; F330-W357 AromaticContact CE2-CH2 3.51Å; F330-W357 HydrophobicContact CE2-CH2 3.51Å; F330-W357 HydrophobicContact CE2-CZ2 4.45Å; F330-W357 HydrophobicContact CE2-CZ3 4.15Å; F330-L427 VanDerWaalsContact O-CA 3.28Å; F330-L427 WeakPolarHBondContact O-CA 3.15Å; F330-V428 HydrophobicContact CD2-CG2 3.75Å; F330-I430 HydrophobicContact CD2-CD1 4.19Å; F330-I430 HydrophobicContact CD2-CG1 4.25Å; F330-I430 HydrophobicContact CE1-CD1 4.12Å; F330-I430 HydrophobicContact CE2-CD1 3.3Å; F330-I430 HydrophobicContact CE2-CG1 3.61Å; F330-I430 HydrophobicContact CZ-CD1 3.25Å; F330-I430 HydrophobicContact CZ-CG1 4.11Å; F330-I446 HydrophobicContact CE1-CD1 3.89Å; F330-I446 HydrophobicContact CZ-CD1 3.42Å; F330-I446 VanDerWaalsContact CZ-CD1 3.42Å; F330-F448 AromaticContact CD1-CE1 3.76Å; F330-F448 HydrophobicContact CD1-CE1 3.76Å; F330-F448 AromaticContact CD1-CZ 3.98Å; F330-F448 HydrophobicContact CD1-CZ 3.98Å; F330-F448 AromaticContact CE1-CE1 3.89Å; F330-F448 HydrophobicContact CE1-CE1 3.89Å; F330-F448 AromaticContact CE1-CZ 3.88Å; F330-F448 HydrophobicContact CE1-CZ 3.88Å; F330-T473 HydrophobicContact CD1-CG2 4.2Å; F330-T473 WeakPolarHBondContact CD1-OG1 3.45Å; F330-T473 HydrophobicContact CE1-CG2 4.15Å
331	T	56.5	Low	69.2	Low	42 Å²	42	34 Å²	34	26%	0.258	19%	0.185	S	C	.	.	S	Bend	trans	-72.3	-51.3	-177.2	66.2	0	0	0	0	113	G426 L427 Y472	T331-G426 CarbonylContact O-C 3.37Å; T331-G426 VanDerWaalsContact O-C 3.27Å; T331-G426 VanDerWaalsContact O-CA 3.25Å; T331-G426 WeakPolarHBondContact O-CA 3.4Å; T331-L427 PolarHBondContact O-N 2.88Å; T331-Y472 HydrophobicContact CG2-CE1 4.05Å
332	D	55.4	Low	69.7	Low	113 Å²	113	33.9 Å²	33.9	60%	0.604	18%	0.184	S	C	*	.	S	Bend	trans	-140.2	-35.6	-166.6	-61.3	-83.8	0	0	0	115.3
333	K	62.1	Low	70.7	Confident	72 Å²	72	32 Å²	32	31%	0.313	17%	0.172	S	C	.	.			trans	-101.3	113.8	-169.1	-73.3	-164.2	168	-159.4	0	112.7	F448 R449	K333-F448 HydrophobicContact CB-CD1 4.03Å; K333-F448 WeakPolarHBondContact O-CD1 3.48Å; K333-R449 PolarHBondContact NZ-O 2.93Å
334	V	68.9	Low	72.1	Confident	23 Å²	23	27.5 Å²	27.5	14%	0.139	15%	0.148	C	C	.	.			trans	-63.1	130.3	164.7	-179.6	0	0	0	0	109.1	W357 F396 I423 S424 R425	V334-W357 HydrophobicContact CB-CZ2 4.32Å; V334-W357 HydrophobicContact CG1-CZ2 4.11Å; V334-W357 HydrophobicContact CG2-CZ2 4.06Å; V334-F396 HydrophobicContact CG1-CE2 4.13Å; V334-I423 HydrophobicContact CG1-CG2 3.77Å; V334-I423 HydrophobicContact CG2-CG2 4.2Å; V334-S424 WeakPolarHBondContact CG2-O 3.35Å; V334-R425 HydrophobicContact CG2-CG 4.11Å
335	P	75.3	Confident	73.9	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.013	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	161.2	171.5	34.7	-31.8	0	0	0	111.9	W357 F396 I446 D447 F448	P335-W357 HydrophobicContact CG-CH2 3.84Å; P335-W357 HydrophobicContact CG-CZ3 4.05Å; P335-F396 HydrophobicContact CG-CE1 4.45Å; P335-F396 HydrophobicContact CG-CZ 4.07Å; P335-F396 WeakPolarHBondContact O-CE2 3.34Å; P335-F396 WeakPolarHBondContact O-CZ 3.42Å; P335-I446 HydrophobicContact CB-CG2 3.28Å; P335-I446 HydrophobicContact CG-CD1 4.49Å; P335-I446 HydrophobicContact CG-CG2 3.93Å; P335-D447 CarbonylContact C-O 3.53Å; P335-D447 VanDerWaalsContact CA-O 3.25Å; P335-D447 WeakPolarHBondContact CA-O 3.25Å; P335-D447 VanDerWaalsContact CB-O 3.28Å; P335-D447 WeakPolarHBondContact CB-O 3.42Å; P335-F448 HydrophobicContact CB-CD1 4.29Å
336	N	78.5	Confident	75.4	Confident	11 Å²	11	27.5 Å²	27.5	6%	0.059	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-21.6	179.1	-49.7	-87.5	0	0	0	112.5	K190 T395 F396 D447 R449	K190-N336 HydrophobicContact CD-CB 4.39Å; K190-N336 HydrophobicContact CG-CB 4.3Å; N336-T395 CarbonylContact O-C 3.18Å; N336-T395 VanDerWaalsContact O-CA 3.26Å; N336-T395 WeakPolarHBondContact O-CA 3.31Å; N336-T395 WeakPolarHBondContact O-CG2 3.28Å; N336-F396 WeakPolarHBondContact CA-O 3.01Å; N336-F396 PolarHBondContact O-N 3.48Å; N336-D447 PolarHBondContact N-O 3.4Å; N336-R449 WeakPolarHBondContact ND2-CA 3.39Å; N336-R449 WeakPolarHBondContact ND2-CB 3.29Å; N336-R449 PolarHBondContact ND2-N 3.02Å
337	R	85	Confident	77.1	Confident	9 Å²	9	33.2 Å²	33.2	3%	0.034	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140	177.8	174.5	173.5	162.4	-91.1	-8.8	110.8	E393 V394 I446 D447 D458	R337-E393 HydrophobicContact CG-CG 4.37Å; R337-E393 IonicContact CZ-OE1 3.29Å; R337-E393 IonicContact CZ-OE2 2.71Å; R337-E393 IonicContact NE-OE1 3.73Å; R337-E393 PolarHBondContact NE-OE1 3.34Å; R337-E393 IonicContact NE-OE2 2.75Å; R337-E393 PolarHBondContact NE-OE2 3.23Å; R337-E393 VanDerWaalsContact NH2-CD 3.32Å; R337-E393 IonicContact NH2-OE1 3.16Å; R337-E393 PolarHBondContact NH2-OE1 3.09Å; R337-E393 IonicContact NH2-OE2 2.8Å; R337-E393 PolarHBondContact NH2-OE2 3.28Å; R337-V394 CarbonylContact C-O 3.29Å; R337-V394 VanDerWaalsContact CA-O 3.26Å; R337-V394 WeakPolarHBondContact CA-O 3.47Å; R337-I446 WeakPolarHBondContact O-CA 3.43Å; R337-D447 HydrophobicContact CB-CB 3.97Å; R337-D447 PolarHBondContact O-N 3.29Å; R337-D458 IonicContact CZ-OD1 3.55Å; R337-D458 IonicContact NH1-OD1 3.46Å; R337-D458 PolarHBondContact NH1-OD1 2.99Å; R337-D458 IonicContact NH2-OD1 2.7Å
338	L	86	Confident	79	Confident	7 Å²	7	32.5 Å²	32.5	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.3	178.1	170.8	73.9	0	0	0	108	F352 I361 E393 V394 W445 I446 L461	L338-F352 HydrophobicContact CD1-CD2 4.27Å; L338-F352 HydrophobicContact CD1-CE2 3.94Å; L338-F352 HydrophobicContact CD1-CZ 4.48Å; L338-F352 HydrophobicContact CD2-CB 4.23Å; L338-F352 HydrophobicContact CD2-CD1 3.68Å; L338-F352 HydrophobicContact CD2-CD2 3.52Å; L338-F352 HydrophobicContact CD2-CE1 3.79Å; L338-F352 HydrophobicContact CD2-CE2 3.62Å; L338-F352 HydrophobicContact CD2-CG 3.55Å; L338-F352 HydrophobicContact CD2-CZ 3.76Å; L338-F352 HydrophobicContact CG-CE2 4.44Å; L338-I361 HydrophobicContact CD2-CD1 4.17Å; L338-E393 WeakPolarHBondContact O-CA 3.39Å; L338-V394 PolarHBondContact N-O 2.87Å; L338-V394 PolarHBondContact O-N 2.7Å; L338-W445 WeakPolarHBondContact CA-O 3.08Å; L338-I446 HydrophobicContact CD1-CD1 3.95Å; L338-I446 HydrophobicContact CD1-CG1 3.7Å; L338-L461 HydrophobicContact CD1-CD1 4.36Å
339	R	88.2	Confident	80.8	Confident	3 Å²	3	33 Å²	33	1%	0.011	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.5	171.2	-176.4	178.8	-177.1	-141.7	20.2	108.8	C293 L295 V391 F392 E407 D443 A444 W445	C293-R339 PolarHBondContact O-NH1 3.24Å; C293-R339 VanDerWaalsContact O-NH1 3.11Å; C293-R339 PolarHBondContact O-NH2 3.19Å; L295-R339 VanDerWaalsContact CD2-NH2 3.29Å; R339-V391 HydrophobicContact CG-CG1 4.04Å; R339-F392 CarbonylContact C-O 3.58Å; R339-F392 VanDerWaalsContact CA-O 3.26Å; R339-F392 WeakPolarHBondContact CA-O 3.29Å; R339-E407 IonicContact CZ-OE1 2.7Å; R339-E407 IonicContact NE-OE1 3.16Å; R339-E407 IonicContact NH2-OE1 3.88Å; R339-E407 PolarHBondContact NH2-OE1 2.99Å; R339-D443 IonicContact CZ-OD1 2.77Å; R339-D443 IonicContact NE-OD2 3.67Å; R339-D443 IonicContact NH1-OD1 2.69Å; R339-D443 PolarHBondContact NH1-OD1 2.94Å; R339-A444 CarbonylContact O-C 3.59Å; R339-A444 WeakPolarHBondContact O-CA 3.31Å; R339-W445 HydrophobicContact CB-CB 4.18Å; R339-W445 HydrophobicContact CB-CG 4.38Å; R339-W445 PolarHBondContact N-O 2.92Å; R339-W445 PolarHBondContact O-N 2.89Å
340	L	88.3	Confident	82.3	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	121.3	180	177.5	63.7	0	0	0	110.2	V342 V351 F392 I432 L441 D443 A444	L340-V342 HydrophobicContact CD2-CG2 4.06Å; L340-V342 HydrophobicContact CG-CG2 3.97Å; L340-V351 HydrophobicContact CD2-CG1 3.87Å; L340-F392 PolarHBondContact N-O 2.77Å; L340-F392 WeakPolarHBondContact O-CB 3.3Å; L340-F392 PolarHBondContact O-N 2.79Å; L340-I432 HydrophobicContact CD2-CG2 4.27Å; L340-L441 HydrophobicContact CD1-CD2 4.35Å; L340-L441 HydrophobicContact CD2-CD2 4.36Å; L340-D443 WeakPolarHBondContact CA-O 3.41Å; L340-A444 HydrophobicContact CD1-CB 3.63Å
341	S	91	Very high	83.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.2	166.8	-73.2	0	0	0	0	111.2	R50 H390 L441 D442 D443	R50-S341 PolarHBondContact NH1-OG 3.09Å; R50-S341 PolarHBondContact NH2-OG 2.79Å; S341-H390 CarbonylContact C-O 3.56Å; S341-H390 WeakPolarHBondContact CA-O 3.44Å; S341-L441 WeakPolarHBondContact O-CA 3.25Å; S341-D442 WeakPolarHBondContact CB-O 3.33Å; S341-D442 PolarHBondContact N-O 2.69Å; S341-D442 PolarHBondContact O-N 2.86Å; S341-D442 VanDerWaalsContact O-N 3.14Å; S341-D443 PolarHBondContact N-O 2.84Å; S341-D443 WeakPolarHBondContact OG-CB 3.33Å; S341-D443 PolarHBondContact OG-OD2 3.46Å
342	V	92.1	Very high	85.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.7	176.7	-172	0	0	0	0	109.7	L340 F349 V351 H390 F392 T439 C440 L441	L340-V342 HydrophobicContact CD2-CG2 4.06Å; L340-V342 HydrophobicContact CG-CG2 3.97Å; V342-F349 HydrophobicContact CG1-CE2 4.14Å; V342-F349 HydrophobicContact CG1-CZ 3.96Å; V342-V351 HydrophobicContact CG2-CG1 3.95Å; V342-H390 PolarHBondContact N-O 3.47Å; V342-H390 PolarHBondContact O-N 3.18Å; V342-F392 HydrophobicContact CB-CD2 4.18Å; V342-F392 HydrophobicContact CB-CE2 3.93Å; V342-F392 HydrophobicContact CG2-CD2 3.76Å; V342-F392 HydrophobicContact CG2-CE2 3.87Å; V342-T439 HydrophobicContact CG1-CG2 4Å; V342-C440 CarbonylContact C-O 3.56Å; V342-C440 WeakPolarHBondContact CA-O 3.36Å; V342-L441 HydrophobicContact CB-CD2 4.46Å; V342-L441 HydrophobicContact CG1-CD2 4.22Å; V342-L441 HydrophobicContact CG2-CD2 3.96Å
343	R	91.4	Very high	86.8	Confident	10 Å²	10	25.6 Å²	25.6	4%	0.038	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	120.6	173.7	176.3	179.4	-154.7	-170.9	8.1	110.4	E49 G387 N388 W389 C440 W508	E49-R343 IonicContact OE2-CZ 2.75Å; E49-R343 IonicContact OE2-NH1 3.49Å; E49-R343 PolarHBondContact OE2-NH1 3.02Å; E49-R343 IonicContact OE2-NH2 3.29Å; E49-R343 PolarHBondContact OE2-NH2 2.53Å; R343-G387 WeakPolarHBondContact CG-O 3.47Å; R343-G387 PolarHBondContact NE-O 2.92Å; R343-N388 WeakPolarHBondContact CA-O 3.47Å; R343-N388 WeakPolarHBondContact CB-O 3.42Å; R343-N388 WeakPolarHBondContact CG-O 3.42Å; R343-W389 HydrophobicContact CB-CD2 3.68Å; R343-W389 HydrophobicContact CB-CE3 3.48Å; R343-W389 VanDerWaalsContact CB-CE3 3.48Å; R343-W389 HydrophobicContact CB-CG 4.22Å; R343-W389 HydrophobicContact CB-CH2 4.38Å; R343-W389 HydrophobicContact CB-CZ3 3.86Å; R343-W389 HydrophobicContact CG-CD2 4.36Å; R343-C440 HydrophobicContact CB-CB 3.9Å; R343-C440 HydrophobicContact CG-CB 4.49Å; R343-C440 PolarHBondContact N-O 2.86Å; R343-C440 PolarHBondContact O-N 2.86Å; R343-W508 HydrophobicContact CG-CD2 4Å; R343-W508 HydrophobicContact CG-CE3 3.99Å; R343-W508 HydrophobicContact CG-CH2 4.26Å; R343-W508 HydrophobicContact CG-CZ2 4.29Å; R343-W508 HydrophobicContact CG-CZ3 4.13Å; R343-W508 VanDerWaalsContact CZ-CG 3.42Å; R343-W508 VanDerWaalsContact NH1-CD1 3.31Å
344	T	92	Very high	88	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.112	C	C	.	.			trans	-153	164.3	-172.4	-163.3	0	0	0	0	113.8	T346 F349 S385 G387 T439	T344-T346 WeakPolarHBondContact OG1-CB 3.05Å; T344-T346 PolarHBondContact OG1-N 3.05Å; T344-T346 PolarHBondContact OG1-OG1 3.08Å; T344-F349 HydrophobicContact CG2-CE1 3.64Å; T344-F349 HydrophobicContact CG2-CZ 3.9Å; T344-S385 CarbonylContact O-C 3.51Å; T344-S385 VanDerWaalsContact O-C 3.3Å; T344-S385 WeakPolarHBondContact O-CA 3.35Å; T344-G387 WeakPolarHBondContact O-CA 3.28Å; T344-G387 PolarHBondContact O-N 3.08Å; T344-T439 PolarHBondContact OG1-OG1 2.72Å
345	R	90.6	Very high	88.8	Confident	76 Å²	76	24.2 Å²	24.2	29%	0.287	14%	0.137	S	C	.	.			trans	-112.6	-2.7	160.3	-65	-65	-170.4	163.3	-0.1	112.1	Q347 S385 D386 E507 W508 R509	R345-Q347 PolarHBondContact O-N 2.73Å; R345-S385 WeakPolarHBondContact CD-O 3.33Å; R345-D386 PolarHBondContact NH1-O 3.24Å; R345-D386 PolarHBondContact NH2-O 2.8Å; R345-E507 IonicContact CZ-OE2 2.9Å; R345-E507 IonicContact NH1-OE2 3.32Å; R345-E507 PolarHBondContact NH1-OE2 3.41Å; R345-E507 IonicContact NH2-OE2 2.86Å; R345-E507 PolarHBondContact NH2-OE2 2.76Å; R345-W508 HydrophobicContact CG-CE3 4.33Å; R345-W508 HydrophobicContact CG-CZ3 4.28Å; R345-W508 PolarHBondContact NE-O 3.09Å; R345-W508 PolarHBondContact NH2-O 3.02Å; R345-R509 HydrophobicContact CG-CB 4.25Å
346	T	92.4	Very high	89.3	Confident	38 Å²	38	26.3 Å²	26.3	23%	0.233	15%	0.154	C	C	.	.			trans	-71.1	118.7	178	-61.1	0	0	0	0	109.3	T344 F349 S385	T344-T346 WeakPolarHBondContact OG1-CB 3.05Å; T344-T346 PolarHBondContact OG1-N 3.05Å; T344-T346 PolarHBondContact OG1-OG1 3.08Å; T346-F349 HydrophobicContact CG2-CB 4.06Å; T346-F349 HydrophobicContact CG2-CD1 4.17Å; T346-F349 HydrophobicContact CG2-CG 4.44Å; T346-S385 PolarHBondContact O-OG 2.82Å
347	Q	93.2	Very high	89.7	Confident	127 Å²	127	26.2 Å²	26.2	59%	0.593	15%	0.153	S	C	*	.	S	Bend	trans	-74.8	-29.3	-175.2	-71.8	-178.7	-12.2	0	0	113.8	R345 T364 N365 G366 S385	R345-Q347 PolarHBondContact O-N 2.73Å; Q347-T364 CarbonylContact O-C 3.49Å; Q347-N365 CarbonylContact O-C 3.59Å; Q347-N365 WeakPolarHBondContact O-CA 3.49Å; Q347-N365 PolarHBondContact O-N 3.01Å; Q347-G366 PolarHBondContact O-N 2.85Å; Q347-S385 WeakPolarHBondContact CA-OG 3.47Å
348	T	95.1	Very high	90	Very high	73 Å²	73	31.8 Å²	31.8	45%	0.448	18%	0.177	S	C	.	.	S	Bend	trans	-137.2	116.9	-177.6	-60.4	0	0	0	0	110.6	V363 T364 N365	T348-V363 CarbonylContact C-O 3.57Å; T348-V363 VanDerWaalsContact CA-O 3.24Å; T348-V363 WeakPolarHBondContact CA-O 3.39Å; T348-T364 HydrophobicContact CG2-CG2 4.36Å; T348-N365 PolarHBondContact OG1-N 3.12Å; T348-N365 VanDerWaalsContact OG1-N 3.1Å
349	F	93	Very high	90.3	Very high	12 Å²	12	31.6 Å²	31.6	5%	0.053	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	171.8	-178.8	71	-76.4	0	0	0	111.7	V342 T344 T346 V351 V363 A436	V342-F349 HydrophobicContact CG1-CE2 4.14Å; V342-F349 HydrophobicContact CG1-CZ 3.96Å; T344-F349 HydrophobicContact CG2-CE1 3.64Å; T344-F349 HydrophobicContact CG2-CZ 3.9Å; T346-F349 HydrophobicContact CG2-CB 4.06Å; T346-F349 HydrophobicContact CG2-CD1 4.17Å; T346-F349 HydrophobicContact CG2-CG 4.44Å; F349-V351 HydrophobicContact CD2-CG2 4.17Å; F349-V351 HydrophobicContact CE2-CB 4.24Å; F349-V351 HydrophobicContact CE2-CG2 3.35Å; F349-V351 HydrophobicContact CZ-CG2 3.61Å; F349-V363 HydrophobicContact CD1-CB 3.85Å; F349-V363 HydrophobicContact CD1-CG1 4.36Å; F349-V363 HydrophobicContact CD1-CG2 4.42Å; F349-V363 HydrophobicContact CE1-CB 3.53Å; F349-V363 HydrophobicContact CE1-CG1 3.93Å; F349-V363 HydrophobicContact CE1-CG2 3.69Å; F349-V363 HydrophobicContact CZ-CB 4.17Å; F349-V363 HydrophobicContact CZ-CG2 3.83Å; F349-V363 PolarHBondContact N-O 2.97Å; F349-V363 PolarHBondContact O-N 3.21Å; F349-V363 VanDerWaalsContact O-O 3.11Å; F349-A436 HydrophobicContact CB-CB 3.78Å; F349-A436 HydrophobicContact CD2-CB 3.54Å; F349-A436 HydrophobicContact CE2-CB 4.24Å; F349-A436 HydrophobicContact CG-CB 3.74Å
350	M	91.5	Very high	90.6	Very high	56 Å²	56	32.8 Å²	32.8	28%	0.276	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.4	175.2	177.3	176	-76.3	0	0	109.6	A353 I431 A433 N434	M350-A353 HydrophobicContact CE-CB 4.21Å; M350-A353 HydrophobicContact CG-CB 4.17Å; M350-A353 HydrophobicContact SD-CB 3.52Å; M350-A353 VanDerWaalsContact SD-CB 3.52Å; M350-I431 HydrophobicContact CG-CG2 4.45Å; M350-I431 HydrophobicContact SD-CB 4.38Å; M350-I431 HydrophobicContact SD-CG2 3.71Å; M350-A433 CarbonylContact O-C 3.56Å; M350-A433 VanDerWaalsContact O-C 3.29Å; M350-A433 WeakPolarHBondContact O-CA 3.4Å; M350-A433 PolarHBondContact O-N 2.98Å; M350-N434 HydrophobicContact CB-CB 4.25Å; M350-N434 PolarHBondContact N-O 3.14Å; M350-N434 PolarHBondContact O-N 3.05Å
351	V	91	Very high	91	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-50.3	179	169.2	0	0	0	0	110.2	L340 V342 F349 I361 V363 F392 I432 A433	L340-V351 HydrophobicContact CD2-CG1 3.87Å; V342-V351 HydrophobicContact CG2-CG1 3.95Å; F349-V351 HydrophobicContact CD2-CG2 4.17Å; F349-V351 HydrophobicContact CE2-CB 4.24Å; F349-V351 HydrophobicContact CE2-CG2 3.35Å; F349-V351 HydrophobicContact CZ-CG2 3.61Å; V351-I361 HydrophobicContact CB-CB 3.94Å; V351-I361 HydrophobicContact CB-CG2 3.73Å; V351-I361 HydrophobicContact CG1-CB 4.23Å; V351-I361 HydrophobicContact CG1-CD1 4.43Å; V351-I361 HydrophobicContact CG1-CG2 4.04Å; V351-I361 HydrophobicContact CG2-CG2 4.11Å; V351-I361 PolarHBondContact N-O 2.85Å; V351-V363 HydrophobicContact CG2-CG2 3.75Å; V351-F392 HydrophobicContact CG1-CD1 4.3Å; V351-F392 HydrophobicContact CG1-CD2 4.5Å; V351-F392 HydrophobicContact CG1-CE1 4.44Å; V351-F392 HydrophobicContact CG1-CG 4.33Å; V351-F392 HydrophobicContact CG2-CE1 3.99Å; V351-F392 HydrophobicContact CG2-CE2 4.34Å; V351-F392 HydrophobicContact CG2-CZ 3.81Å; V351-I432 WeakPolarHBondContact O-CA 3.46Å; V351-A433 PolarHBondContact O-N 3.41Å
352	F	88.4	Confident	91.2	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.7	-176.3	176.8	-89	0	0	0	109.7	L338 V354 L359 S360 I361 I430 I431 I432	L338-F352 HydrophobicContact CD1-CD2 4.27Å; L338-F352 HydrophobicContact CD1-CE2 3.94Å; L338-F352 HydrophobicContact CD1-CZ 4.48Å; L338-F352 HydrophobicContact CD2-CB 4.23Å; L338-F352 HydrophobicContact CD2-CD1 3.68Å; L338-F352 HydrophobicContact CD2-CD2 3.52Å; L338-F352 HydrophobicContact CD2-CE1 3.79Å; L338-F352 HydrophobicContact CD2-CE2 3.62Å; L338-F352 HydrophobicContact CD2-CG 3.55Å; L338-F352 HydrophobicContact CD2-CZ 3.76Å; L338-F352 HydrophobicContact CG-CE2 4.44Å; F352-V354 HydrophobicContact CE1-CG2 3.73Å; F352-V354 HydrophobicContact CZ-CG2 3.57Å; F352-L359 HydrophobicContact CE1-CD2 4.07Å; F352-L359 HydrophobicContact CE1-CG 4.49Å; F352-S360 CarbonylContact O-C 3.5Å; F352-S360 VanDerWaalsContact O-CA 3.3Å; F352-S360 WeakPolarHBondContact O-CA 3.45Å; F352-I361 HydrophobicContact CB-CB 4.29Å; F352-I361 HydrophobicContact CB-CD1 4.1Å; F352-I361 HydrophobicContact CB-CG1 4.28Å; F352-I361 PolarHBondContact N-O 2.95Å; F352-I361 PolarHBondContact O-N 2.84Å; F352-I430 HydrophobicContact CD2-CG2 3.75Å; F352-I430 HydrophobicContact CE2-CG2 3.3Å; F352-I430 HydrophobicContact CZ-CG2 3.87Å; F352-I431 CarbonylContact C-O 3.53Å; F352-I431 VanDerWaalsContact CA-O 3.26Å; F352-I431 WeakPolarHBondContact CA-O 2.9Å; F352-I432 HydrophobicContact CD2-CD1 4.35Å; F352-I432 HydrophobicContact CD2-CG1 4.13Å
353	A	89.2	Confident	91.4	Very high	9 Å²	9	33.8 Å²	33.8	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	150.8	164.3	0	0	0	0	0	112.8	M350 L359 I430 I431	M350-A353 HydrophobicContact CE-CB 4.21Å; M350-A353 HydrophobicContact CG-CB 4.17Å; M350-A353 HydrophobicContact SD-CB 3.52Å; M350-A353 VanDerWaalsContact SD-CB 3.52Å; A353-L359 CarbonylContact C-O 3.6Å; A353-L359 VanDerWaalsContact CA-O 3.26Å; A353-L359 WeakPolarHBondContact CA-O 3.27Å; A353-I430 CarbonylContact O-C 3.4Å; A353-I430 WeakPolarHBondContact O-CA 2.95Å; A353-I431 HydrophobicContact CB-CB 4.35Å; A353-I431 PolarHBondContact N-O 2.93Å; A353-I431 PolarHBondContact O-N 2.77Å
354	V	86.7	Confident	91.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	105.4	169	178.2	0	0	0	0	108.3	F352 A356 W357 K358 L359 V428 I430	F352-V354 HydrophobicContact CE1-CG2 3.73Å; F352-V354 HydrophobicContact CZ-CG2 3.57Å; V354-A356 VanDerWaalsContact C-N 3.32Å; V354-A356 PolarHBondContact O-N 2.86Å; V354-W357 HydrophobicContact CB-CB 4.47Å; V354-W357 HydrophobicContact CB-CD2 4.04Å; V354-W357 HydrophobicContact CB-CE3 3.62Å; V354-W357 HydrophobicContact CB-CG 4.43Å; V354-W357 HydrophobicContact CB-CZ3 4.1Å; V354-W357 HydrophobicContact CG1-CB 4.24Å; V354-W357 HydrophobicContact CG1-CD2 3.5Å; V354-W357 HydrophobicContact CG1-CE3 3.57Å; V354-W357 HydrophobicContact CG1-CG 3.83Å; V354-W357 HydrophobicContact CG1-CH2 4.41Å; V354-W357 HydrophobicContact CG1-CZ2 4.42Å; V354-W357 HydrophobicContact CG1-CZ3 4.04Å; V354-W357 HydrophobicContact CG2-CE3 3.82Å; V354-W357 HydrophobicContact CG2-CH2 4.5Å; V354-W357 HydrophobicContact CG2-CZ3 3.76Å; V354-W357 PolarHBondContact O-N 3.14Å; V354-W357 VanDerWaalsContact O-N 3.16Å; V354-K358 PolarHBondContact O-N 2.9Å; V354-K358 VanDerWaalsContact O-N 3.16Å; V354-L359 PolarHBondContact N-O 3.46Å; V354-L359 PolarHBondContact O-N 2.9Å; V354-V428 HydrophobicContact CG1-CB 3.82Å; V354-V428 HydrophobicContact CG1-CG2 3.63Å; V354-I430 HydrophobicContact CG2-CB 4.29Å; V354-I430 HydrophobicContact CG2-CG1 4.11Å; V354-I430 HydrophobicContact CG2-CG2 4.12Å
355	G	87.1	Confident	91.9	Very high	64 Å²	64	42.1 Å²	42.1	66%	0.66	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-61	-39.1	-172.5	0	0	0	0	0	113.3	W357 K358	G355-W357 PolarHBondContact O-N 2.83Å; G355-K358 PolarHBondContact O-N 2.88Å
356	A	84.8	Confident	92	Very high	46 Å²	46	38.6 Å²	38.6	38%	0.38	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67.2	-19.1	179.8	0	0	0	0	0	114.3	V354 S424 V428	V354-A356 VanDerWaalsContact C-N 3.32Å; V354-A356 PolarHBondContact O-N 2.86Å; A356-S424 WeakPolarHBondContact O-CB 3.36Å; A356-S424 PolarHBondContact O-OG 2.9Å; A356-V428 HydrophobicContact CB-CB 3.88Å; A356-V428 HydrophobicContact CB-CG1 3.39Å
357	W	86.8	Confident	92.2	Very high	10 Å²	10	39.7 Å²	39.7	4%	0.038	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-101.9	-5	172.5	-56	-23.8	0	0	0	112.5	F330 V334 P335 V354 G355 L359 F372 F396 I423 S424 V428	F330-W357 AromaticContact CD2-CH2 3.56Å; F330-W357 HydrophobicContact CD2-CH2 3.56Å; F330-W357 HydrophobicContact CD2-CZ2 4.07Å; F330-W357 AromaticContact CE2-CH2 3.51Å; F330-W357 HydrophobicContact CE2-CH2 3.51Å; F330-W357 HydrophobicContact CE2-CZ2 4.45Å; F330-W357 HydrophobicContact CE2-CZ3 4.15Å; V334-W357 HydrophobicContact CB-CZ2 4.32Å; V334-W357 HydrophobicContact CG1-CZ2 4.11Å; V334-W357 HydrophobicContact CG2-CZ2 4.06Å; P335-W357 HydrophobicContact CG-CH2 3.84Å; P335-W357 HydrophobicContact CG-CZ3 4.05Å; V354-W357 HydrophobicContact CB-CB 4.47Å; V354-W357 HydrophobicContact CB-CD2 4.04Å; V354-W357 HydrophobicContact CB-CE3 3.62Å; V354-W357 HydrophobicContact CB-CG 4.43Å; V354-W357 HydrophobicContact CB-CZ3 4.1Å; V354-W357 HydrophobicContact CG1-CB 4.24Å; V354-W357 HydrophobicContact CG1-CD2 3.5Å; V354-W357 HydrophobicContact CG1-CE3 3.57Å; V354-W357 HydrophobicContact CG1-CG 3.83Å; V354-W357 HydrophobicContact CG1-CH2 4.41Å; V354-W357 HydrophobicContact CG1-CZ2 4.42Å; V354-W357 HydrophobicContact CG1-CZ3 4.04Å; V354-W357 HydrophobicContact CG2-CE3 3.82Å; V354-W357 HydrophobicContact CG2-CH2 4.5Å; V354-W357 HydrophobicContact CG2-CZ3 3.76Å; V354-W357 PolarHBondContact O-N 3.14Å; V354-W357 VanDerWaalsContact O-N 3.16Å; G355-W357 PolarHBondContact O-N 2.83Å; W357-L359 HydrophobicContact CB-CB 4.01Å; W357-L359 HydrophobicContact CE3-CD2 4.12Å; W357-L359 PolarHBondContact O-N 3.24Å; W357-F372 VanDerWaalsContact O-CE2 3.32Å; W357-F372 WeakPolarHBondContact O-CE2 3.36Å; W357-F396 HydrophobicContact CD2-CE2 4.41Å; W357-F396 AromaticContact CE3-CE2 3.89Å; W357-F396 HydrophobicContact CE3-CE2 3.89Å; W357-F396 AromaticContact CE3-CZ 3.72Å; W357-F396 HydrophobicContact CE3-CZ 3.72Å; W357-F396 HydrophobicContact CZ3-CE2 4.31Å; W357-F396 AromaticContact CZ3-CZ 3.71Å; W357-F396 HydrophobicContact CZ3-CZ 3.71Å; W357-I423 HydrophobicContact CB-CG2 4.24Å; W357-I423 HydrophobicContact CD2-CG2 4.27Å; W357-I423 HydrophobicContact CG-CG2 3.71Å; W357-S424 PolarHBondContact NE1-O 2.87Å; W357-V428 HydrophobicContact CH2-CG2 4.12Å; W357-V428 HydrophobicContact CZ2-CG2 3.64Å
358	K	91.8	Very high	92.4	Very high	125 Å²	125	33.7 Å²	33.7	54%	0.543	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	32.6	-166.8	-49.5	179.7	-168.7	176.4	0	112.8	V354 G355 F372 D373	V354-K358 PolarHBondContact O-N 2.9Å; V354-K358 VanDerWaalsContact O-N 3.16Å; G355-K358 PolarHBondContact O-N 2.88Å; K358-F372 WeakPolarHBondContact O-CA 3.34Å; K358-D373 HydrophobicContact CB-CB 4.13Å; K358-D373 HydrophobicContact CD-CB 3.87Å; K358-D373 WeakPolarHBondContact CD-OD1 3.41Å; K358-D373 WeakPolarHBondContact CE-OD1 3.37Å; K358-D373 IonicContact NZ-OD1 3.28Å; K358-D373 PolarHBondContact NZ-OD1 3.04Å; K358-D373 PolarHBondContact O-N 3.03Å
359	L	92.8	Very high	92.5	Very high	3 Å²	3	33 Å²	33	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.3	-179.2	-177.1	67.7	0	0	0	108.7	F352 A353 V354 W357 L370 R371 F372 F396 L401	F352-L359 HydrophobicContact CE1-CD2 4.07Å; F352-L359 HydrophobicContact CE1-CG 4.49Å; A353-L359 CarbonylContact C-O 3.6Å; A353-L359 VanDerWaalsContact CA-O 3.26Å; A353-L359 WeakPolarHBondContact CA-O 3.27Å; V354-L359 PolarHBondContact N-O 3.46Å; V354-L359 PolarHBondContact O-N 2.9Å; W357-L359 HydrophobicContact CB-CB 4.01Å; W357-L359 HydrophobicContact CE3-CD2 4.12Å; W357-L359 PolarHBondContact O-N 3.24Å; L359-L370 HydrophobicContact CD1-CD1 3.87Å; L359-R371 CarbonylContact C-O 3.54Å; L359-R371 WeakPolarHBondContact CA-O 3.06Å; L359-F372 HydrophobicContact CB-CD2 4.22Å; L359-F372 HydrophobicContact CD1-CB 4.09Å; L359-F372 HydrophobicContact CD1-CD2 3.93Å; L359-F372 HydrophobicContact CD1-CG 4.33Å; L359-F396 HydrophobicContact CD1-CG 4.43Å; L359-F396 HydrophobicContact CD2-CD1 3.67Å; L359-F396 HydrophobicContact CD2-CD2 3.93Å; L359-F396 HydrophobicContact CD2-CE1 3.52Å; L359-F396 HydrophobicContact CD2-CE2 3.79Å; L359-F396 HydrophobicContact CD2-CG 3.88Å; L359-F396 HydrophobicContact CD2-CZ 3.57Å; L359-L401 HydrophobicContact CD1-CD1 4.5Å
360	S	94.2	Very high	92.8	Very high	28 Å²	28	32.4 Å²	32.4	20%	0.196	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	136.5	175.4	61.3	0	0	0	0	112.9	F352 R371	F352-S360 CarbonylContact O-C 3.5Å; F352-S360 VanDerWaalsContact O-CA 3.3Å; F352-S360 WeakPolarHBondContact O-CA 3.45Å; S360-R371 PolarHBondContact N-O 2.8Å; S360-R371 PolarHBondContact O-N 2.91Å
361	I	95.9	Very high	93	Very high	2 Å²	2	35 Å²	35	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.5	164.6	-51	172.7	0	0	0	107.4	L338 V351 F352 E369 L370 F392 V394 F403	L338-I361 HydrophobicContact CD2-CD1 4.17Å; V351-I361 HydrophobicContact CB-CB 3.94Å; V351-I361 HydrophobicContact CB-CG2 3.73Å; V351-I361 HydrophobicContact CG1-CB 4.23Å; V351-I361 HydrophobicContact CG1-CD1 4.43Å; V351-I361 HydrophobicContact CG1-CG2 4.04Å; V351-I361 HydrophobicContact CG2-CG2 4.11Å; V351-I361 PolarHBondContact N-O 2.85Å; F352-I361 HydrophobicContact CB-CB 4.29Å; F352-I361 HydrophobicContact CB-CD1 4.1Å; F352-I361 HydrophobicContact CB-CG1 4.28Å; F352-I361 PolarHBondContact N-O 2.95Å; F352-I361 PolarHBondContact O-N 2.84Å; I361-E369 CarbonylContact C-O 3.57Å; I361-E369 WeakPolarHBondContact CA-O 3.49Å; I361-L370 HydrophobicContact CG1-CD1 3.9Å; I361-F392 HydrophobicContact CD1-CD1 4.39Å; I361-F392 HydrophobicContact CG2-CD1 3.6Å; I361-F392 HydrophobicContact CG2-CE1 3.58Å; I361-V394 HydrophobicContact CD1-CG2 3.62Å; I361-V394 HydrophobicContact CG1-CG2 4.15Å; I361-F403 HydrophobicContact CG2-CZ 4.24Å
362	S	95.9	Very high	93.2	Very high	25 Å²	25	35.3 Å²	35.3	18%	0.175	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	162.1	170.7	61.8	0	0	0	0	110.7	P368 E369	S362-P368 WeakPolarHBondContact O-CA 3.06Å; S362-E369 PolarHBondContact N-O 2.88Å; S362-E369 PolarHBondContact O-N 2.89Å
363	V	96.8	Very high	93.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.4	163.8	177.1	0	0	0	0	106.5	T348 F349 V351 G366 I367 P368 I384 F392	T348-V363 CarbonylContact C-O 3.57Å; T348-V363 VanDerWaalsContact CA-O 3.24Å; T348-V363 WeakPolarHBondContact CA-O 3.39Å; F349-V363 HydrophobicContact CD1-CB 3.85Å; F349-V363 HydrophobicContact CD1-CG1 4.36Å; F349-V363 HydrophobicContact CD1-CG2 4.42Å; F349-V363 HydrophobicContact CE1-CB 3.53Å; F349-V363 HydrophobicContact CE1-CG1 3.93Å; F349-V363 HydrophobicContact CE1-CG2 3.69Å; F349-V363 HydrophobicContact CZ-CB 4.17Å; F349-V363 HydrophobicContact CZ-CG2 3.83Å; F349-V363 PolarHBondContact N-O 2.97Å; F349-V363 PolarHBondContact O-N 3.21Å; F349-V363 VanDerWaalsContact O-O 3.11Å; V351-V363 HydrophobicContact CG2-CG2 3.75Å; V363-G366 VanDerWaalsContact CG1-C 3.49Å; V363-I367 CarbonylContact C-O 3.41Å; V363-I367 VanDerWaalsContact CA-O 3.29Å; V363-I367 WeakPolarHBondContact CA-O 3.42Å; V363-P368 HydrophobicContact CG2-CB 4.26Å; V363-I384 HydrophobicContact CG1-CB 4.33Å; V363-I384 HydrophobicContact CG2-CB 4.25Å; V363-I384 HydrophobicContact CG2-CG1 4.27Å; V363-I384 HydrophobicContact CG2-CG2 4.24Å; V363-F392 HydrophobicContact CG2-CZ 4.08Å
364	T	96.7	Very high	93.6	Very high	69 Å²	69	42.2 Å²	42.2	42%	0.423	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.2	178.3	-56.7	0	0	0	0	109.1	Q347 T348 G366 I367	Q347-T364 CarbonylContact O-C 3.49Å; T348-T364 HydrophobicContact CG2-CG2 4.36Å; T364-G366 PolarHBondContact O-N 3.04Å; T364-I367 PolarHBondContact N-O 2.65Å; T364-I367 WeakPolarHBondContact O-CB 3.32Å; T364-I367 PolarHBondContact O-N 2.95Å
365	N	95.6	Very high	93.9	Very high	117 Å²	117	43.5 Å²	43.5	63%	0.626	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	34.5	-174.1	-56.6	-28.8	0	0	0	113.5	Q347 T348 I367	Q347-N365 CarbonylContact O-C 3.59Å; Q347-N365 WeakPolarHBondContact O-CA 3.49Å; Q347-N365 PolarHBondContact O-N 3.01Å; T348-N365 PolarHBondContact OG1-N 3.12Å; T348-N365 VanDerWaalsContact OG1-N 3.1Å; N365-I367 VanDerWaalsContact C-N 3.31Å; N365-I367 PolarHBondContact O-N 2.78Å
366	G	93.6	Very high	94.4	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-16.8	-176.5	0	0	0	0	0	115.4	Q347 V363 T364 N383 I384 S385	Q347-G366 PolarHBondContact O-N 2.85Å; V363-G366 VanDerWaalsContact CG1-C 3.49Å; T364-G366 PolarHBondContact O-N 3.04Å; G366-N383 WeakPolarHBondContact CA-OD1 3.48Å; G366-N383 WeakPolarHBondContact O-CA 3.36Å; G366-I384 PolarHBondContact O-N 2.76Å; G366-S385 WeakPolarHBondContact CA-OG 3.49Å
367	I	96.7	Very high	94.9	Very high	61 Å²	61	41 Å²	41	31%	0.313	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.6	-178.3	-65.1	171.1	0	0	0	110.3	V363 T364 N365 T378	V363-I367 CarbonylContact C-O 3.41Å; V363-I367 VanDerWaalsContact CA-O 3.29Å; V363-I367 WeakPolarHBondContact CA-O 3.42Å; T364-I367 PolarHBondContact N-O 2.65Å; T364-I367 WeakPolarHBondContact O-CB 3.32Å; T364-I367 PolarHBondContact O-N 2.95Å; N365-I367 VanDerWaalsContact C-N 3.31Å; N365-I367 PolarHBondContact O-N 2.78Å; I367-T378 HydrophobicContact CG2-CG2 3.73Å
368	P	97.4	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	142.8	176.4	32.8	-31.1	0	0	0	112.7	S362 V363 L379 V382 I384 F392 F403	S362-P368 WeakPolarHBondContact O-CA 3.06Å; V363-P368 HydrophobicContact CG2-CB 4.26Å; P368-L379 HydrophobicContact CG-CB 4.13Å; P368-L379 PolarHBondContact O-N 2.82Å; P368-V382 WeakPolarHBondContact CD-O 3.3Å; P368-V382 HydrophobicContact CG-CB 4.26Å; P368-V382 HydrophobicContact CG-CG1 4.33Å; P368-I384 HydrophobicContact CB-CD1 4.45Å; P368-I384 HydrophobicContact CB-CG1 3.91Å; P368-I384 HydrophobicContact CG-CD1 4.12Å; P368-I384 HydrophobicContact CG-CG1 3.8Å; P368-F392 HydrophobicContact CB-CE1 3.88Å; P368-F392 HydrophobicContact CB-CZ 4.27Å; P368-F403 HydrophobicContact CB-CE1 4.2Å; P368-F403 HydrophobicContact CB-CZ 3.98Å
369	E	97.7	Very high	95.7	Very high	59 Å²	59	37.5 Å²	37.5	28%	0.276	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.1	177	-178.3	166.9	108.1	0	0	110.9	I361 S362 V376 I377 T378	I361-E369 CarbonylContact C-O 3.57Å; I361-E369 WeakPolarHBondContact CA-O 3.49Å; S362-E369 PolarHBondContact N-O 2.88Å; S362-E369 PolarHBondContact O-N 2.89Å; E369-V376 HydrophobicContact CG-CG1 3.56Å; E369-I377 WeakPolarHBondContact CA-O 3.46Å; E369-T378 HydrophobicContact CB-CG2 4.2Å; E369-T378 HydrophobicContact CG-CG2 4.45Å; E369-T378 PolarHBondContact OE2-OG1 2.76Å
370	L	97.7	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.3	167	172.6	64.9	0	0	0	109.3	L359 I361 V376 I377 V394 L401 F403	L359-L370 HydrophobicContact CD1-CD1 3.87Å; I361-L370 HydrophobicContact CG1-CD1 3.9Å; L370-V376 CarbonylContact O-C 3.51Å; L370-V376 WeakPolarHBondContact O-CA 3.24Å; L370-I377 HydrophobicContact CB-CB 4.45Å; L370-I377 PolarHBondContact N-O 2.89Å; L370-I377 PolarHBondContact O-N 2.89Å; L370-V394 HydrophobicContact CD1-CG1 3.96Å; L370-V394 HydrophobicContact CD1-CG2 4.16Å; L370-V394 HydrophobicContact CD2-CB 4.44Å; L370-V394 HydrophobicContact CD2-CG1 3.64Å; L370-V394 HydrophobicContact CD2-CG2 3.97Å; L370-V394 HydrophobicContact CG-CG1 4.48Å; L370-L401 HydrophobicContact CD2-CD1 3.69Å; L370-L401 HydrophobicContact CD2-CD2 3.98Å; L370-L401 HydrophobicContact CD2-CG 3.72Å; L370-L401 HydrophobicContact CG-CD1 4.36Å; L370-L401 HydrophobicContact CG-CD2 4.26Å; L370-L401 HydrophobicContact CG-CG 4.49Å; L370-F403 HydrophobicContact CB-CB 4.21Å; L370-F403 HydrophobicContact CB-CD1 3.43Å; L370-F403 VanDerWaalsContact CB-CD1 3.43Å; L370-F403 HydrophobicContact CB-CD2 4.44Å; L370-F403 HydrophobicContact CB-CE1 3.8Å; L370-F403 HydrophobicContact CB-CG 3.79Å; L370-F403 HydrophobicContact CB-CZ 4.45Å; L370-F403 HydrophobicContact CD2-CB 3.67Å; L370-F403 HydrophobicContact CD2-CD1 4.46Å; L370-F403 HydrophobicContact CD2-CG 4Å
371	R	96.6	Very high	95.7	Very high	111 Å²	111	43.6 Å²	43.6	42%	0.419	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.9	173.7	178.8	173.9	180	160.3	4.1	111.1	L359 S360 D373 I375 V376	L359-R371 CarbonylContact C-O 3.54Å; L359-R371 WeakPolarHBondContact CA-O 3.06Å; S360-R371 PolarHBondContact N-O 2.8Å; S360-R371 PolarHBondContact O-N 2.91Å; R371-D373 PolarHBondContact NE-O 3.06Å; R371-D373 PolarHBondContact NH2-O 2.98Å; R371-D373 VanDerWaalsContact NH2-O 3.08Å; R371-I375 CarbonylContact C-O 3.56Å; R371-I375 WeakPolarHBondContact CA-O 3.2Å; R371-V376 HydrophobicContact CG-CG2 4.25Å
372	F	94.5	Very high	95.5	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	102	171.8	-178.5	-128.9	0	0	0	110	W357 K358 L359 N374 I375 L401 F418 K421 I423	W357-F372 VanDerWaalsContact O-CE2 3.32Å; W357-F372 WeakPolarHBondContact O-CE2 3.36Å; K358-F372 WeakPolarHBondContact O-CA 3.34Å; L359-F372 HydrophobicContact CB-CD2 4.22Å; L359-F372 HydrophobicContact CD1-CB 4.09Å; L359-F372 HydrophobicContact CD1-CD2 3.93Å; L359-F372 HydrophobicContact CD1-CG 4.33Å; F372-N374 PolarHBondContact O-N 3.07Å; F372-I375 PolarHBondContact N-O 3.13Å; F372-I375 WeakPolarHBondContact O-CB 3.43Å; F372-I375 PolarHBondContact O-N 3.2Å; F372-L401 HydrophobicContact CB-CD1 4.03Å; F372-L401 HydrophobicContact CB-CD2 3.82Å; F372-L401 HydrophobicContact CG-CD1 4.4Å; F372-F418 HydrophobicContact CD1-CE1 4.46Å; F372-F418 HydrophobicContact CD1-CE2 4.18Å; F372-F418 AromaticContact CD1-CZ 3.79Å; F372-F418 HydrophobicContact CD1-CZ 3.79Å; F372-F418 AromaticContact CE1-CE2 3.69Å; F372-F418 HydrophobicContact CE1-CE2 3.69Å; F372-F418 AromaticContact CE1-CZ 3.62Å; F372-F418 HydrophobicContact CE1-CZ 3.62Å; F372-K421 HydrophobicContact CD1-CD 4.5Å; F372-K421 HydrophobicContact CE1-CB 4.47Å; F372-K421 HydrophobicContact CE1-CD 4.03Å; F372-I423 HydrophobicContact CZ-CD1 4.16Å; F372-I423 HydrophobicContact CZ-CG1 4.1Å
373	D	92	Very high	95.4	Very high	30 Å²	30	46 Å²	46	16%	0.16	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-103.3	-172.7	168.7	76.3	0	0	0	111.5	K358 R371 K421	K358-D373 HydrophobicContact CB-CB 4.13Å; K358-D373 HydrophobicContact CD-CB 3.87Å; K358-D373 WeakPolarHBondContact CD-OD1 3.41Å; K358-D373 WeakPolarHBondContact CE-OD1 3.37Å; K358-D373 IonicContact NZ-OD1 3.28Å; K358-D373 PolarHBondContact NZ-OD1 3.04Å; K358-D373 PolarHBondContact O-N 3.03Å; R371-D373 PolarHBondContact NE-O 3.06Å; R371-D373 PolarHBondContact NH2-O 2.98Å; R371-D373 VanDerWaalsContact NH2-O 3.08Å; D373-K421 IonicContact OD2-NZ 3.52Å; D373-K421 PolarHBondContact OD2-NZ 3.16Å
374	N	93.3	Very high	95.3	Very high	128 Å²	128	46 Å²	46	68%	0.684	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	2.3	175.3	-67.8	-18.3	0	0	0	113.7	F372	F372-N374 PolarHBondContact O-N 3.07Å
375	I	94.7	Very high	95.1	Very high	29 Å²	29	43.2 Å²	43.2	15%	0.149	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.8	178.6	-59.4	172.8	0	0	0	108.4	R371 F372 L401 R416 F418	R371-I375 CarbonylContact C-O 3.56Å; R371-I375 WeakPolarHBondContact CA-O 3.2Å; F372-I375 PolarHBondContact N-O 3.13Å; F372-I375 WeakPolarHBondContact O-CB 3.43Å; F372-I375 PolarHBondContact O-N 3.2Å; I375-L401 HydrophobicContact CG2-CD2 3.87Å; I375-R416 HydrophobicContact CG2-CB 4.21Å; I375-R416 HydrophobicContact CG2-CG 4.12Å; I375-F418 HydrophobicContact CD1-CB 3.67Å; I375-F418 HydrophobicContact CD1-CD1 3.27Å; I375-F418 HydrophobicContact CD1-CD2 3.96Å; I375-F418 HydrophobicContact CD1-CE1 3.82Å; I375-F418 HydrophobicContact CD1-CE2 4.42Å; I375-F418 HydrophobicContact CD1-CG 3.35Å; I375-F418 HydrophobicContact CD1-CZ 4.36Å
376	V	96	Very high	94.8	Very high	58 Å²	58	38.1 Å²	38.1	35%	0.352	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138	-177	-174.2	0	0	0	0	110.2	E369 L370 R371	E369-V376 HydrophobicContact CG-CG1 3.56Å; L370-V376 CarbonylContact O-C 3.51Å; L370-V376 WeakPolarHBondContact O-CA 3.24Å; R371-V376 HydrophobicContact CG-CG2 4.25Å
377	I	97.2	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	107.2	175.3	-57.4	-177.8	0	0	0	108.2	E369 L370 L379 L401 F403 D414 R416	E369-I377 WeakPolarHBondContact CA-O 3.46Å; L370-I377 HydrophobicContact CB-CB 4.45Å; L370-I377 PolarHBondContact N-O 2.89Å; L370-I377 PolarHBondContact O-N 2.89Å; I377-L379 HydrophobicContact CG2-CD2 4.36Å; I377-L401 HydrophobicContact CD1-CB 4.5Å; I377-L401 HydrophobicContact CD1-CD2 3.81Å; I377-L401 HydrophobicContact CD1-CG 4.03Å; I377-L401 HydrophobicContact CG1-CD2 4.23Å; I377-F403 HydrophobicContact CB-CD1 4.47Å; I377-F403 HydrophobicContact CD1-CB 4.49Å; I377-F403 HydrophobicContact CG2-CB 4.04Å; I377-F403 HydrophobicContact CG2-CD1 4.12Å; I377-D414 HydrophobicContact CG2-CB 3.62Å; I377-R416 HydrophobicContact CD1-CB 4.37Å; I377-R416 HydrophobicContact CD1-CG 3.76Å; I377-R416 HydrophobicContact CG1-CG 3.88Å
378	T	97.4	Very high	94.3	Very high	55 Å²	55	35.7 Å²	35.7	34%	0.337	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.2	-176.3	-39.7	0	0	0	0	109.8	I367 E369 S380	I367-T378 HydrophobicContact CG2-CG2 3.73Å; E369-T378 HydrophobicContact CB-CG2 4.2Å; E369-T378 HydrophobicContact CG-CG2 4.45Å; E369-T378 PolarHBondContact OE2-OG1 2.76Å; T378-S380 VanDerWaalsContact C-N 3.3Å; T378-S380 PolarHBondContact O-N 2.89Å
379	L	96.8	Very high	93.9	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	20%	0.2	C	C	.	.			trans	-88.4	69.2	-177.8	-55.9	175.8	0	0	0	110.2	P368 I377 S381 V382 F403 V405 D414	P368-L379 HydrophobicContact CG-CB 4.13Å; P368-L379 PolarHBondContact O-N 2.82Å; I377-L379 HydrophobicContact CG2-CD2 4.36Å; L379-S381 PolarHBondContact O-N 2.87Å; L379-V382 HydrophobicContact CB-CB 4.36Å; L379-V382 HydrophobicContact CB-CG2 4.07Å; L379-V382 PolarHBondContact O-N 2.85Å; L379-F403 HydrophobicContact CD1-CD1 3.87Å; L379-F403 HydrophobicContact CD1-CE1 3.92Å; L379-F403 HydrophobicContact CD1-CG 4.25Å; L379-F403 HydrophobicContact CD1-CZ 4.33Å; L379-F403 HydrophobicContact CG-CD1 3.98Å; L379-F403 HydrophobicContact CG-CE1 4.12Å; L379-V405 HydrophobicContact CD1-CB 4.36Å; L379-V405 HydrophobicContact CD1-CG2 3.69Å; L379-D414 HydrophobicContact CD2-CB 3.82Å
380	S	95	Very high	93.7	Very high	75 Å²	75	33.6 Å²	33.6	52%	0.524	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-2.5	-165.6	72.4	0	0	0	0	117.5	T378	T378-S380 VanDerWaalsContact C-N 3.3Å; T378-S380 PolarHBondContact O-N 2.89Å
381	S	91.9	Very high	93.4	Very high	83 Å²	83	33.7 Å²	33.7	58%	0.58	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.9	5.3	177.9	-51.2	0	0	0	0	113.1	L379	L379-S381 PolarHBondContact O-N 2.87Å
382	V	92.8	Very high	93.3	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.03	17%	0.168	C	C	.	.			trans	-104.2	134.5	175.7	-178.4	0	0	0	0	108.8	P368 L379 I384 V405 I411 Y412	P368-V382 WeakPolarHBondContact CD-O 3.3Å; P368-V382 HydrophobicContact CG-CB 4.26Å; P368-V382 HydrophobicContact CG-CG1 4.33Å; L379-V382 HydrophobicContact CB-CB 4.36Å; L379-V382 HydrophobicContact CB-CG2 4.07Å; L379-V382 PolarHBondContact O-N 2.85Å; V382-I384 HydrophobicContact CG1-CD1 3.88Å; V382-V405 HydrophobicContact CG1-CG1 4.12Å; V382-I411 WeakPolarHBondContact CG2-O 3.38Å; V382-Y412 HydrophobicContact CG1-CD1 4.07Å; V382-Y412 HydrophobicContact CG1-CE1 3.93Å; V382-Y412 HydrophobicContact CG2-CD1 3.66Å; V382-Y412 HydrophobicContact CG2-CE1 3.91Å; V382-Y412 HydrophobicContact CG2-CG 4.1Å
383	N	93.5	Very high	93.3	Very high	73 Å²	73	29.5 Å²	29.5	39%	0.39	17%	0.173	S	C	.	.			trans	-115.9	117.5	174.4	176.7	19.4	0	0	0	109.6	G366 S385 H390	G366-N383 WeakPolarHBondContact CA-OD1 3.48Å; G366-N383 WeakPolarHBondContact O-CA 3.36Å; N383-S385 PolarHBondContact OD1-N 3.18Å; N383-S385 VanDerWaalsContact OD1-N 3.08Å; N383-H390 PolarHBondContact O-CE1 2.93Å; N383-H390 PolarHBondContact O-NE2 3.24Å
384	I	93.5	Very high	93.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-90	-20.6	-177.8	-57.5	-64.1	0	0	0	112.4	V363 G366 P368 V382 D386 H390 F392 V405	V363-I384 HydrophobicContact CG1-CB 4.33Å; V363-I384 HydrophobicContact CG2-CB 4.25Å; V363-I384 HydrophobicContact CG2-CG1 4.27Å; V363-I384 HydrophobicContact CG2-CG2 4.24Å; G366-I384 PolarHBondContact O-N 2.76Å; P368-I384 HydrophobicContact CB-CD1 4.45Å; P368-I384 HydrophobicContact CB-CG1 3.91Å; P368-I384 HydrophobicContact CG-CD1 4.12Å; P368-I384 HydrophobicContact CG-CG1 3.8Å; V382-I384 HydrophobicContact CG1-CD1 3.88Å; I384-D386 VanDerWaalsContact C-N 3.25Å; I384-D386 PolarHBondContact O-N 3.1Å; I384-H390 HydrophobicContact CD1-CB 3.79Å; I384-H390 HydrophobicContact CG2-CB 4.44Å; I384-H390 PolarHBondContact O-CD2 3.28Å; I384-F392 HydrophobicContact CB-CZ 4.42Å; I384-F392 HydrophobicContact CD1-CE2 3.99Å; I384-F392 HydrophobicContact CD1-CZ 3.74Å; I384-F392 HydrophobicContact CG1-CE2 4.37Å; I384-F392 HydrophobicContact CG1-CZ 3.78Å; I384-F392 HydrophobicContact CG2-CE2 3.85Å; I384-F392 HydrophobicContact CG2-CZ 3.81Å; I384-V405 HydrophobicContact CD1-CG1 3.95Å
385	S	92.5	Very high	93.2	Very high	11 Å²	11	22.6 Å²	22.6	8%	0.077	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	22.8	-171.4	-52.6	0	0	0	0	112.8	T344 R345 T346 Q347 G366 N383 G387	T344-S385 CarbonylContact O-C 3.51Å; T344-S385 VanDerWaalsContact O-C 3.3Å; T344-S385 WeakPolarHBondContact O-CA 3.35Å; R345-S385 WeakPolarHBondContact CD-O 3.33Å; T346-S385 PolarHBondContact O-OG 2.82Å; Q347-S385 WeakPolarHBondContact CA-OG 3.47Å; G366-S385 WeakPolarHBondContact CA-OG 3.49Å; N383-S385 PolarHBondContact OD1-N 3.18Å; N383-S385 VanDerWaalsContact OD1-N 3.08Å; S385-G387 VanDerWaalsContact C-N 3.34Å
386	D	89.8	Confident	93	Very high	9 Å²	9	21.3 Å²	21.3	5%	0.048	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.3	-177.1	80.8	-0.8	0	0	0	113.9	N34 R345 I384 N388 H390	N34-D386 PolarHBondContact ND2-OD2 2.85Å; R345-D386 PolarHBondContact NH1-O 3.24Å; R345-D386 PolarHBondContact NH2-O 2.8Å; I384-D386 VanDerWaalsContact C-N 3.25Å; I384-D386 PolarHBondContact O-N 3.1Å; D386-N388 VanDerWaalsContact OD1-CB 3.23Å; D386-N388 WeakPolarHBondContact OD1-CB 3.33Å; D386-N388 PolarHBondContact OD1-N 3.05Å; D386-N388 PolarHBondContact OD1-ND2 3.49Å; D386-N388 PolarHBondContact OD2-ND2 3.4Å; D386-H390 IonicContact OD1-CE1 2.97Å; D386-H390 IonicContact OD1-NE2 3.49Å; D386-H390 PolarHBondContact OD1-NE2 3.18Å; D386-H390 VanDerWaalsContact OD1-NE2 3.08Å; D386-H390 IonicContact OD2-NE2 2.8Å
387	G	89.2	Confident	92.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	86.1	2	179.8	0	0	0	0	0	115.5	R343 T344 S385 W508	R343-G387 WeakPolarHBondContact CG-O 3.47Å; R343-G387 PolarHBondContact NE-O 2.92Å; T344-G387 WeakPolarHBondContact O-CA 3.28Å; T344-G387 PolarHBondContact O-N 3.08Å; S385-G387 VanDerWaalsContact C-N 3.34Å; G387-W508 WeakPolarHBondContact O-CB 3.49Å
388	N	89.9	Confident	92.3	Very high	12 Å²	12	19.4 Å²	19.4	6%	0.064	12%	0.119	C	C	.	.	S	Bend	trans	-89.5	165.1	174.8	-59.1	-57.8	0	0	0	112.1	P32 Y51 R343 D386 H390	P32-N388 WeakPolarHBondContact CB-ND2 3.39Å; Y51-N388 WeakPolarHBondContact CE2-OD1 3.36Å; R343-N388 WeakPolarHBondContact CA-O 3.47Å; R343-N388 WeakPolarHBondContact CB-O 3.42Å; R343-N388 WeakPolarHBondContact CG-O 3.42Å; D386-N388 VanDerWaalsContact OD1-CB 3.23Å; D386-N388 WeakPolarHBondContact OD1-CB 3.33Å; D386-N388 PolarHBondContact OD1-N 3.05Å; D386-N388 PolarHBondContact OD1-ND2 3.49Å; D386-N388 PolarHBondContact OD2-ND2 3.4Å; N388-H390 PolarHBondContact O-CD2 3.47Å; N388-H390 PolarHBondContact O-N 3.09Å
389	W	90.8	Very high	92	Very high	12 Å²	12	19.3 Å²	19.3	5%	0.045	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	111	169.4	-77.9	114.2	0	0	0	109.9	R50 R343 C440 D442 C484	R50-W389 HydrophobicContact CG-CB 3.91Å; R50-W389 VanDerWaalsContact CG-CD1 3.46Å; R50-W389 HydrophobicContact CG-CG 3.78Å; R343-W389 HydrophobicContact CB-CD2 3.68Å; R343-W389 HydrophobicContact CB-CE3 3.48Å; R343-W389 VanDerWaalsContact CB-CE3 3.48Å; R343-W389 HydrophobicContact CB-CG 4.22Å; R343-W389 HydrophobicContact CB-CH2 4.38Å; R343-W389 HydrophobicContact CB-CZ3 3.86Å; R343-W389 HydrophobicContact CG-CD2 4.36Å; W389-C440 HydrophobicContact CH2-CB 3.7Å; W389-C440 HydrophobicContact CZ2-CB 4.23Å; W389-C440 HydrophobicContact CZ3-CB 4.14Å; W389-D442 HydrophobicContact CH2-CB 3.52Å; W389-D442 HydrophobicContact CZ2-CB 4.3Å; W389-D442 HydrophobicContact CZ3-CB 3.68Å; W389-C484 HydrophobicContact CZ2-CB 4.39Å
390	H	92.7	Very high	91.9	Very high	4 Å²	4	19 Å²	19	2%	0.019	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132	171.9	-65.2	-74.9	0	0	0	110.4	S341 V342 N383 I384 D386 N388 F392 V405 D406	S341-H390 CarbonylContact C-O 3.56Å; S341-H390 WeakPolarHBondContact CA-O 3.44Å; V342-H390 PolarHBondContact N-O 3.47Å; V342-H390 PolarHBondContact O-N 3.18Å; N383-H390 PolarHBondContact O-CE1 2.93Å; N383-H390 PolarHBondContact O-NE2 3.24Å; I384-H390 HydrophobicContact CD1-CB 3.79Å; I384-H390 HydrophobicContact CG2-CB 4.44Å; I384-H390 PolarHBondContact O-CD2 3.28Å; D386-H390 IonicContact OD1-CE1 2.97Å; D386-H390 IonicContact OD1-NE2 3.49Å; D386-H390 PolarHBondContact OD1-NE2 3.18Å; D386-H390 VanDerWaalsContact OD1-NE2 3.08Å; D386-H390 IonicContact OD2-NE2 2.8Å; N388-H390 PolarHBondContact O-CD2 3.47Å; N388-H390 PolarHBondContact O-N 3.09Å; H390-F392 HydrophobicContact CB-CE2 4.35Å; H390-V405 HydrophobicContact CB-CG1 4.43Å; H390-D406 WeakPolarHBondContact CA-OD1 3.45Å; H390-D406 IonicContact CE1-OD2 3.89Å; H390-D406 IonicContact CG-OD2 3.96Å; H390-D406 IonicContact ND1-OD2 3.08Å; H390-D406 PolarHBondContact ND1-OD2 3.09Å
391	V	92.3	Very high	91.9	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.4	176.1	-166.8	0	0	0	0	108.6	L295 R339 V405 D406	L295-V391 HydrophobicContact CD1-CG2 3.61Å; L295-V391 HydrophobicContact CD2-CB 4.28Å; L295-V391 HydrophobicContact CD2-CG1 3.87Å; L295-V391 HydrophobicContact CD2-CG2 3.39Å; L295-V391 HydrophobicContact CG-CG2 4.13Å; R339-V391 HydrophobicContact CG-CG1 4.04Å; V391-V405 CarbonylContact O-C 3.56Å; V391-V405 WeakPolarHBondContact O-CA 3.31Å; V391-D406 PolarHBondContact N-OD1 3.46Å; V391-D406 VanDerWaalsContact N-OD1 3.16Å; V391-D406 PolarHBondContact O-N 3.28Å
392	F	94.4	Very high	92	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.009	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.6	168.3	-72.6	-107.9	0	0	0	108.4	R339 L340 V342 V351 I361 V363 P368 I384 H390 F403	R339-F392 CarbonylContact C-O 3.58Å; R339-F392 VanDerWaalsContact CA-O 3.26Å; R339-F392 WeakPolarHBondContact CA-O 3.29Å; L340-F392 PolarHBondContact N-O 2.77Å; L340-F392 WeakPolarHBondContact O-CB 3.3Å; L340-F392 PolarHBondContact O-N 2.79Å; V342-F392 HydrophobicContact CB-CD2 4.18Å; V342-F392 HydrophobicContact CB-CE2 3.93Å; V342-F392 HydrophobicContact CG2-CD2 3.76Å; V342-F392 HydrophobicContact CG2-CE2 3.87Å; V351-F392 HydrophobicContact CG1-CD1 4.3Å; V351-F392 HydrophobicContact CG1-CD2 4.5Å; V351-F392 HydrophobicContact CG1-CE1 4.44Å; V351-F392 HydrophobicContact CG1-CG 4.33Å; V351-F392 HydrophobicContact CG2-CE1 3.99Å; V351-F392 HydrophobicContact CG2-CE2 4.34Å; V351-F392 HydrophobicContact CG2-CZ 3.81Å; I361-F392 HydrophobicContact CD1-CD1 4.39Å; I361-F392 HydrophobicContact CG2-CD1 3.6Å; I361-F392 HydrophobicContact CG2-CE1 3.58Å; V363-F392 HydrophobicContact CG2-CZ 4.08Å; P368-F392 HydrophobicContact CB-CE1 3.88Å; P368-F392 HydrophobicContact CB-CZ 4.27Å; I384-F392 HydrophobicContact CB-CZ 4.42Å; I384-F392 HydrophobicContact CD1-CE2 3.99Å; I384-F392 HydrophobicContact CD1-CZ 3.74Å; I384-F392 HydrophobicContact CG1-CE2 4.37Å; I384-F392 HydrophobicContact CG1-CZ 3.78Å; I384-F392 HydrophobicContact CG2-CE2 3.85Å; I384-F392 HydrophobicContact CG2-CZ 3.81Å; H390-F392 HydrophobicContact CB-CE2 4.35Å; F392-F403 AromaticContact CD1-CE2 3.73Å; F392-F403 HydrophobicContact CD1-CE2 3.73Å; F392-F403 AromaticContact CD1-CZ 3.84Å; F392-F403 HydrophobicContact CD1-CZ 3.84Å; F392-F403 HydrophobicContact CE1-CE2 4.32Å; F392-F403 AromaticContact CE1-CZ 3.97Å; F392-F403 HydrophobicContact CE1-CZ 3.97Å
393	E	92.9	Very high	92.2	Very high	27 Å²	27	11.7 Å²	11.7	13%	0.126	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.8	168.5	-176.1	163.5	135.1	0	0	109.8	R337 L338 Q404	R337-E393 HydrophobicContact CG-CG 4.37Å; R337-E393 IonicContact CZ-OE1 3.29Å; R337-E393 IonicContact CZ-OE2 2.71Å; R337-E393 IonicContact NE-OE1 3.73Å; R337-E393 PolarHBondContact NE-OE1 3.34Å; R337-E393 IonicContact NE-OE2 2.75Å; R337-E393 PolarHBondContact NE-OE2 3.23Å; R337-E393 VanDerWaalsContact NH2-CD 3.32Å; R337-E393 IonicContact NH2-OE1 3.16Å; R337-E393 PolarHBondContact NH2-OE1 3.09Å; R337-E393 IonicContact NH2-OE2 2.8Å; R337-E393 PolarHBondContact NH2-OE2 3.28Å; L338-E393 WeakPolarHBondContact O-CA 3.39Å; E393-Q404 HydrophobicContact CB-CB 4.41Å; E393-Q404 PolarHBondContact N-O 2.94Å; E393-Q404 PolarHBondContact O-N 3.47Å; E393-Q404 VanDerWaalsContact O-O 3.07Å
394	V	93.3	Very high	92.3	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.012	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.5	-179	173	0	0	0	0	109.1	R337 L338 I361 L370 F396 D402 F403	R337-V394 CarbonylContact C-O 3.29Å; R337-V394 VanDerWaalsContact CA-O 3.26Å; R337-V394 WeakPolarHBondContact CA-O 3.47Å; L338-V394 PolarHBondContact N-O 2.87Å; L338-V394 PolarHBondContact O-N 2.7Å; I361-V394 HydrophobicContact CD1-CG2 3.62Å; I361-V394 HydrophobicContact CG1-CG2 4.15Å; L370-V394 HydrophobicContact CD1-CG1 3.96Å; L370-V394 HydrophobicContact CD1-CG2 4.16Å; L370-V394 HydrophobicContact CD2-CB 4.44Å; L370-V394 HydrophobicContact CD2-CG1 3.64Å; L370-V394 HydrophobicContact CD2-CG2 3.97Å; L370-V394 HydrophobicContact CG-CG1 4.48Å; V394-F396 HydrophobicContact CG1-CD1 4.36Å; V394-D402 WeakPolarHBondContact CA-O 3.49Å; V394-F403 HydrophobicContact CG2-CD2 3.69Å; V394-F403 HydrophobicContact CG2-CE2 4.09Å; V394-F403 HydrophobicContact CG2-CG 4.49Å
395	T	91	Very high	92.4	Very high	10 Å²	10	9.5 Å²	9.5	6%	0.061	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129	165.5	-58.5	0	0	0	0	109.2	R188 N336 L401 D402	R188-T395 PolarHBondContact NH1-OG1 2.79Å; N336-T395 CarbonylContact O-C 3.18Å; N336-T395 VanDerWaalsContact O-CA 3.26Å; N336-T395 WeakPolarHBondContact O-CA 3.31Å; N336-T395 WeakPolarHBondContact O-CG2 3.28Å; T395-L401 CarbonylContact O-C 3.26Å; T395-L401 WeakPolarHBondContact O-CA 3.32Å; T395-D402 PolarHBondContact N-O 3.49Å; T395-D402 PolarHBondContact O-N 3.36Å
396	F	90	Very high	92.3	Very high	2 Å²	2	9 Å²	9	1%	0.009	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.8	177.7	70.6	-79.8	0	0	0	110.8	V334 P335 N336 W357 L359 V394 F400 L401 I423	V334-F396 HydrophobicContact CG1-CE2 4.13Å; P335-F396 HydrophobicContact CG-CE1 4.45Å; P335-F396 HydrophobicContact CG-CZ 4.07Å; P335-F396 WeakPolarHBondContact O-CE2 3.34Å; P335-F396 WeakPolarHBondContact O-CZ 3.42Å; N336-F396 WeakPolarHBondContact CA-O 3.01Å; N336-F396 PolarHBondContact O-N 3.48Å; W357-F396 HydrophobicContact CD2-CE2 4.41Å; W357-F396 AromaticContact CE3-CE2 3.89Å; W357-F396 HydrophobicContact CE3-CE2 3.89Å; W357-F396 AromaticContact CE3-CZ 3.72Å; W357-F396 HydrophobicContact CE3-CZ 3.72Å; W357-F396 HydrophobicContact CZ3-CE2 4.31Å; W357-F396 AromaticContact CZ3-CZ 3.71Å; W357-F396 HydrophobicContact CZ3-CZ 3.71Å; L359-F396 HydrophobicContact CD1-CG 4.43Å; L359-F396 HydrophobicContact CD2-CD1 3.67Å; L359-F396 HydrophobicContact CD2-CD2 3.93Å; L359-F396 HydrophobicContact CD2-CE1 3.52Å; L359-F396 HydrophobicContact CD2-CE2 3.79Å; L359-F396 HydrophobicContact CD2-CG 3.88Å; L359-F396 HydrophobicContact CD2-CZ 3.57Å; V394-F396 HydrophobicContact CG1-CD1 4.36Å; F396-F400 WeakPolarHBondContact CA-O 3.4Å; F396-L401 HydrophobicContact CB-CD1 3.65Å; F396-I423 HydrophobicContact CD2-CD1 4.2Å; F396-I423 HydrophobicContact CE2-CD1 4.45Å
397	T	89.5	Confident	92.4	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.012	5%	0.051	C	C	.	.			trans	-136.4	-175.5	177.8	76.6	0	0	0	0	110.1	R188 R399 F400	R188-T397 HydrophobicContact CB-CG2 4.12Å; R188-T397 VanDerWaalsContact O-CB 3.31Å; R188-T397 WeakPolarHBondContact O-CB 3.35Å; R188-T397 VanDerWaalsContact O-CG2 3.25Å; R188-T397 WeakPolarHBondContact O-CG2 3.38Å; R188-T397 PolarHBondContact O-OG1 2.73Å; T397-R399 PolarHBondContact O-N 2.8Å; T397-R399 PolarHBondContact OG1-N 3.28Å; T397-F400 PolarHBondContact N-O 2.04Å; T397-F400 WeakPolarHBondContact OG1-CB 3.45Å; T397-F400 PolarHBondContact OG1-N 2.91Å; T397-F400 VanDerWaalsContact OG1-N 3.08Å
398	S	88.5	Confident	92.6	Very high	16 Å²	16	11.1 Å²	11.1	11%	0.112	5%	0.053	C	C	.	.	S	Bend	trans	-62.8	-17.5	175.6	60.2	0	0	0	0	114	F418 E420 K421	S398-F418 WeakPolarHBondContact O-CE2 3.36Å; S398-E420 CarbonylContact O-C 3.56Å; S398-E420 WeakPolarHBondContact O-CA 3.07Å; S398-K421 PolarHBondContact O-N 3.19Å
399	R	92.4	Very high	92.8	Very high	53 Å²	53	10.9 Å²	10.9	20%	0.2	5%	0.052	C	C	.	.	S	Bend	trans	-137.9	-4.4	-173.6	-71.8	171	174.9	-98.5	5.5	115.3	C189 M198 T397 Y417 F418 E420	C189-R399 HydrophobicContact CB-CB 4.22Å; C189-R399 VanDerWaalsContact SG-CD 3.57Å; M198-R399 VanDerWaalsContact CE-NH1 3.29Å; M198-R399 PolarHBondContact SD-NH1 2.84Å; M198-R399 VanDerWaalsContact SD-NH1 3.4Å; T397-R399 PolarHBondContact O-N 2.8Å; T397-R399 PolarHBondContact OG1-N 3.28Å; R399-Y417 CarbonylContact O-C 3.58Å; R399-Y417 WeakPolarHBondContact O-CA 3.43Å; R399-F418 PolarHBondContact O-N 2.81Å; R399-E420 HydrophobicContact CG-CB 4.13Å; R399-E420 HydrophobicContact CG-CG 4.1Å; R399-E420 IonicContact CZ-OE2 3.69Å; R399-E420 IonicContact NE-OE2 3.68Å; R399-E420 PolarHBondContact NE-OE2 2.02Å; R399-E420 IonicContact NH2-OE2 3.82Å; R399-E420 PolarHBondContact NH2-OE2 2.85Å
400	F	93.6	Very high	92.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.6	-173.5	-172	-94	0	0	0	112.2	D169 F171 L185 R188 F396 T397 D402 F418	D169-F400 HydrophobicContact CB-CE2 4.03Å; F171-F400 HydrophobicContact CE2-CD2 4.3Å; F171-F400 AromaticContact CE2-CE2 3.99Å; F171-F400 HydrophobicContact CE2-CE2 3.99Å; F171-F400 HydrophobicContact CZ-CD2 4.35Å; F171-F400 AromaticContact CZ-CE2 3.82Å; F171-F400 HydrophobicContact CZ-CE2 3.82Å; L185-F400 HydrophobicContact CD2-CB 3.89Å; L185-F400 HydrophobicContact CD2-CD2 3.42Å; L185-F400 VanDerWaalsContact CD2-CD2 3.42Å; L185-F400 HydrophobicContact CD2-CE2 4.19Å; L185-F400 HydrophobicContact CD2-CG 3.95Å; R188-F400 HydrophobicContact CB-CB 4.22Å; R188-F400 HydrophobicContact CB-CD1 3.9Å; R188-F400 HydrophobicContact CB-CE1 4.42Å; R188-F400 HydrophobicContact CB-CG 4.1Å; R188-F400 HydrophobicContact CG-CD1 3.71Å; R188-F400 HydrophobicContact CG-CE1 3.71Å; R188-F400 HydrophobicContact CG-CG 4.13Å; R188-F400 HydrophobicContact CG-CZ 4.14Å; R188-F400 VanDerWaalsContact CZ-CE1 3.47Å; F396-F400 WeakPolarHBondContact CA-O 3.4Å; T397-F400 PolarHBondContact N-O 2.04Å; T397-F400 WeakPolarHBondContact OG1-CB 3.45Å; T397-F400 PolarHBondContact OG1-N 2.91Å; T397-F400 VanDerWaalsContact OG1-N 3.08Å; F400-D402 HydrophobicContact CD1-CB 4.22Å; F400-D402 HydrophobicContact CE1-CB 3.43Å; F400-D402 VanDerWaalsContact CE1-CB 3.43Å; F400-D402 HydrophobicContact CZ-CB 4.1Å; F400-F418 VanDerWaalsContact N-CZ 3.25Å; F400-F418 WeakPolarHBondContact O-CZ 3.3Å
401	L	95.2	Very high	93	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	127.3	177.1	-172.6	73.7	0	0	0	108.5	L359 L370 F372 I375 I377 T395 F396 S415 R416 F418	L359-L401 HydrophobicContact CD1-CD1 4.5Å; L370-L401 HydrophobicContact CD2-CD1 3.69Å; L370-L401 HydrophobicContact CD2-CD2 3.98Å; L370-L401 HydrophobicContact CD2-CG 3.72Å; L370-L401 HydrophobicContact CG-CD1 4.36Å; L370-L401 HydrophobicContact CG-CD2 4.26Å; L370-L401 HydrophobicContact CG-CG 4.49Å; F372-L401 HydrophobicContact CB-CD1 4.03Å; F372-L401 HydrophobicContact CB-CD2 3.82Å; F372-L401 HydrophobicContact CG-CD1 4.4Å; I375-L401 HydrophobicContact CG2-CD2 3.87Å; I377-L401 HydrophobicContact CD1-CB 4.5Å; I377-L401 HydrophobicContact CD1-CD2 3.81Å; I377-L401 HydrophobicContact CD1-CG 4.03Å; I377-L401 HydrophobicContact CG1-CD2 4.23Å; T395-L401 CarbonylContact O-C 3.26Å; T395-L401 WeakPolarHBondContact O-CA 3.32Å; F396-L401 HydrophobicContact CB-CD1 3.65Å; L401-S415 CarbonylContact O-C 3.56Å; L401-S415 WeakPolarHBondContact O-CA 3.43Å; L401-R416 PolarHBondContact N-O 2.95Å; L401-R416 PolarHBondContact O-N 3.03Å; L401-F418 HydrophobicContact CB-CE1 3.67Å; L401-F418 HydrophobicContact CB-CZ 4.31Å
402	D	94.2	Very high	93.2	Very high	9 Å²	9	19.1 Å²	19.1	5%	0.048	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.1	-179.1	159.5	14.9	0	0	0	107.9	R188 V394 T395 F400 Y413	R188-D402 IonicContact CZ-OD2 3.66Å; R188-D402 IonicContact NH1-OD2 2.86Å; R188-D402 PolarHBondContact NH1-OD2 3.25Å; R188-D402 IonicContact NH2-OD2 2.85Å; R188-D402 PolarHBondContact NH2-OD2 3.03Å; V394-D402 WeakPolarHBondContact CA-O 3.49Å; T395-D402 PolarHBondContact N-O 3.49Å; T395-D402 PolarHBondContact O-N 3.36Å; F400-D402 HydrophobicContact CD1-CB 4.22Å; F400-D402 HydrophobicContact CE1-CB 3.43Å; F400-D402 VanDerWaalsContact CE1-CB 3.43Å; F400-D402 HydrophobicContact CZ-CB 4.1Å; D402-Y413 WeakPolarHBondContact OD1-CE2 3.38Å
403	F	96.9	Very high	93.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.1	176.1	-170	-164.6	0	0	0	110	I361 P368 L370 I377 L379 F392 V394 V405 Y413 D414	I361-F403 HydrophobicContact CG2-CZ 4.24Å; P368-F403 HydrophobicContact CB-CE1 4.2Å; P368-F403 HydrophobicContact CB-CZ 3.98Å; L370-F403 HydrophobicContact CB-CB 4.21Å; L370-F403 HydrophobicContact CB-CD1 3.43Å; L370-F403 VanDerWaalsContact CB-CD1 3.43Å; L370-F403 HydrophobicContact CB-CD2 4.44Å; L370-F403 HydrophobicContact CB-CE1 3.8Å; L370-F403 HydrophobicContact CB-CG 3.79Å; L370-F403 HydrophobicContact CB-CZ 4.45Å; L370-F403 HydrophobicContact CD2-CB 3.67Å; L370-F403 HydrophobicContact CD2-CD1 4.46Å; L370-F403 HydrophobicContact CD2-CG 4Å; I377-F403 HydrophobicContact CB-CD1 4.47Å; I377-F403 HydrophobicContact CD1-CB 4.49Å; I377-F403 HydrophobicContact CG2-CB 4.04Å; I377-F403 HydrophobicContact CG2-CD1 4.12Å; L379-F403 HydrophobicContact CD1-CD1 3.87Å; L379-F403 HydrophobicContact CD1-CE1 3.92Å; L379-F403 HydrophobicContact CD1-CG 4.25Å; L379-F403 HydrophobicContact CD1-CZ 4.33Å; L379-F403 HydrophobicContact CG-CD1 3.98Å; L379-F403 HydrophobicContact CG-CE1 4.12Å; F392-F403 AromaticContact CD1-CE2 3.73Å; F392-F403 HydrophobicContact CD1-CE2 3.73Å; F392-F403 AromaticContact CD1-CZ 3.84Å; F392-F403 HydrophobicContact CD1-CZ 3.84Å; F392-F403 HydrophobicContact CE1-CE2 4.32Å; F392-F403 AromaticContact CE1-CZ 3.97Å; F392-F403 HydrophobicContact CE1-CZ 3.97Å; V394-F403 HydrophobicContact CG2-CD2 3.69Å; V394-F403 HydrophobicContact CG2-CE2 4.09Å; V394-F403 HydrophobicContact CG2-CG 4.49Å; F403-V405 HydrophobicContact CE2-CG2 3.94Å; F403-V405 HydrophobicContact CZ-CG2 4.09Å; F403-Y413 WeakPolarHBondContact O-CA 3.41Å; F403-D414 PolarHBondContact N-O 3.09Å; F403-D414 PolarHBondContact O-N 2.92Å
404	Q	95.6	Very high	93.4	Very high	28 Å²	28	18.5 Å²	18.5	13%	0.131	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.3	172	-166.5	174.2	40.6	0	0	111.1	E393 L408 Y412 Y413	E393-Q404 HydrophobicContact CB-CB 4.41Å; E393-Q404 PolarHBondContact N-O 2.94Å; E393-Q404 PolarHBondContact O-N 3.47Å; E393-Q404 VanDerWaalsContact O-O 3.07Å; Q404-L408 WeakPolarHBondContact CG-O 3.45Å; Q404-L408 PolarHBondContact NE2-O 2.9Å; Q404-Y412 CarbonylContact C-O 3.46Å; Q404-Y412 WeakPolarHBondContact CA-O 3.24Å; Q404-Y413 HydrophobicContact CB-CD2 4.12Å; Q404-Y413 HydrophobicContact CG-CD2 4.25Å
405	V	95	Very high	93.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.3	167	177	0	0	0	0	109.6	L379 V382 I384 H390 V391 F403 E407 L408 Y412	L379-V405 HydrophobicContact CD1-CB 4.36Å; L379-V405 HydrophobicContact CD1-CG2 3.69Å; V382-V405 HydrophobicContact CG1-CG1 4.12Å; I384-V405 HydrophobicContact CD1-CG1 3.95Å; H390-V405 HydrophobicContact CB-CG1 4.43Å; V391-V405 CarbonylContact O-C 3.56Å; V391-V405 WeakPolarHBondContact O-CA 3.31Å; F403-V405 HydrophobicContact CE2-CG2 3.94Å; F403-V405 HydrophobicContact CZ-CG2 4.09Å; V405-E407 PolarHBondContact O-N 2.86Å; V405-L408 PolarHBondContact O-N 3.25Å; V405-L408 VanDerWaalsContact O-N 3.12Å; V405-Y412 HydrophobicContact CB-CD1 4.23Å; V405-Y412 HydrophobicContact CG1-CD1 4.17Å; V405-Y412 PolarHBondContact N-O 2.93Å
406	D	92.1	Very high	93.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	15.5	172.8	-82.1	-49.7	0	0	0	117.3	L35 R62 H390 V391 L408	L35-D406 HydrophobicContact CD2-CB 4.45Å; R62-D406 WeakPolarHBondContact CD-O 3.28Å; R62-D406 IonicContact CZ-OD1 3.27Å; R62-D406 VanDerWaalsContact NH1-C 3.33Å; R62-D406 VanDerWaalsContact NH1-CA 3.3Å; R62-D406 VanDerWaalsContact NH1-CB 3.32Å; R62-D406 PolarHBondContact NH1-O 2.82Å; R62-D406 IonicContact NH1-OD1 2.67Å; R62-D406 PolarHBondContact NH1-OD1 3.15Å; R62-D406 IonicContact NH2-OD1 3.29Å; R62-D406 PolarHBondContact NH2-OD1 3.45Å; H390-D406 WeakPolarHBondContact CA-OD1 3.45Å; H390-D406 IonicContact CE1-OD2 3.89Å; H390-D406 IonicContact CG-OD2 3.96Å; H390-D406 IonicContact ND1-OD2 3.08Å; H390-D406 PolarHBondContact ND1-OD2 3.09Å; V391-D406 PolarHBondContact N-OD1 3.46Å; V391-D406 VanDerWaalsContact N-OD1 3.16Å; V391-D406 PolarHBondContact O-N 3.28Å; D406-L408 HydrophobicContact CB-CD1 3.84Å; D406-L408 HydrophobicContact CB-CG 4.01Å; D406-L408 PolarHBondContact O-N 2.98Å
407	E	90	Very high	93.9	Very high	47 Å²	47	23.4 Å²	23.4	22%	0.22	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	22.7	-173	-49.7	172.4	171.8	0	0	112.3	L295 R339 V405	L295-E407 WeakPolarHBondContact CD2-OE1 3.43Å; L295-E407 WeakPolarHBondContact CG-OE1 3.5Å; R339-E407 IonicContact CZ-OE1 2.7Å; R339-E407 IonicContact NE-OE1 3.16Å; R339-E407 IonicContact NH2-OE1 3.88Å; R339-E407 PolarHBondContact NH2-OE1 2.99Å; V405-E407 PolarHBondContact O-N 2.86Å
408	L	93.4	Very high	94.1	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.037	11%	0.107	C	C	.	.			trans	-105.4	171.5	-177	-68.4	176.7	0	0	0	112.1	L35 P36 Q63 Q404 V405 D406 Y412	L35-L408 HydrophobicContact CD2-CD1 4.01Å; P36-L408 HydrophobicContact CG-CD1 3.74Å; P36-L408 HydrophobicContact CG-CD2 3.98Å; Q63-L408 HydrophobicContact CB-CD2 3.97Å; Q63-L408 HydrophobicContact CG-CD2 4.16Å; Q404-L408 WeakPolarHBondContact CG-O 3.45Å; Q404-L408 PolarHBondContact NE2-O 2.9Å; V405-L408 PolarHBondContact O-N 3.25Å; V405-L408 VanDerWaalsContact O-N 3.12Å; D406-L408 HydrophobicContact CB-CD1 3.84Å; D406-L408 HydrophobicContact CB-CG 4.01Å; D406-L408 PolarHBondContact O-N 2.98Å; L408-Y412 HydrophobicContact CB-CD1 4.28Å; L408-Y412 HydrophobicContact CB-CD2 3.81Å; L408-Y412 HydrophobicContact CB-CG 3.63Å; L408-Y412 HydrophobicContact CD1-CD1 4.05Å; L408-Y412 HydrophobicContact CD1-CD2 3.88Å; L408-Y412 HydrophobicContact CD1-CE1 4.01Å; L408-Y412 HydrophobicContact CD1-CE2 3.87Å; L408-Y412 HydrophobicContact CD1-CG 4Å; L408-Y412 HydrophobicContact CG-CG 4.48Å
409	D	94.1	Very high	94.2	Very high	7 Å²	7	28 Å²	28	4%	0.037	13%	0.134	C	C	.	.			trans	-121	-170.3	-176.7	72.3	-58	0	0	0	113.3	K65 R240 E241 L242 I411 Y412	K65-D409 IonicContact NZ-OD1 2.64Å; K65-D409 PolarHBondContact NZ-OD1 2.78Å; K65-D409 IonicContact NZ-OD2 2.74Å; K65-D409 PolarHBondContact NZ-OD2 3.31Å; R240-D409 WeakPolarHBondContact O-CB 3.37Å; E241-D409 VanDerWaalsContact CA-OD2 3.3Å; E241-D409 WeakPolarHBondContact CA-OD2 3.47Å; L242-D409 HydrophobicContact CB-CB 4.16Å; L242-D409 HydrophobicContact CD1-CB 4.06Å; L242-D409 HydrophobicContact CG-CB 4.02Å; L242-D409 PolarHBondContact N-OD2 3.46Å; D409-I411 PolarHBondContact O-N 2.8Å; D409-Y412 PolarHBondContact O-N 3.09Å; D409-Y412 VanDerWaalsContact O-N 3.14Å
410	K	94.2	Very high	94.1	Very high	94 Å²	94	30.8 Å²	30.8	41%	0.409	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	-78.4	177.4	-44.1	-166.3	-173.5	-149.1	0	116.1	R240 E241	R240-K410 VanDerWaalsContact CD-O 3.28Å; R240-K410 WeakPolarHBondContact CD-O 3.44Å; R240-K410 WeakPolarHBondContact O-CA 3.4Å; R240-K410 PolarHBondContact O-N 2.73Å; E241-K410 HydrophobicContact CB-CG 4.4Å; E241-K410 VanDerWaalsContact OE1-CE 3.28Å; E241-K410 WeakPolarHBondContact OE1-CE 3.36Å; E241-K410 IonicContact OE1-NZ 3.45Å; E241-K410 PolarHBondContact OE1-NZ 2.77Å; E241-K410 WeakPolarHBondContact OE2-CE 3.44Å; E241-K410 IonicContact OE2-NZ 2.68Å; E241-K410 PolarHBondContact OE2-NZ 2.89Å
411	I	94.8	Very high	93.9	Very high	78 Å²	78	32.8 Å²	32.8	40%	0.4	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-17.1	177.4	65.4	174.9	0	0	0	112	V382 D409	V382-I411 WeakPolarHBondContact CG2-O 3.38Å; D409-I411 PolarHBondContact O-N 2.8Å
412	Y	95.8	Very high	93.4	Very high	18 Å²	18	38.9 Å²	38.9	7%	0.071	20%	0.2	C	C	.	.	S	Bend	trans	-91.8	0.5	-179.6	-67.8	-88.1	0	0	0	113.6	N34 V382 Q404 V405 L408 D409	N34-Y412 PolarHBondContact O-OH 2.94Å; V382-Y412 HydrophobicContact CG1-CD1 4.07Å; V382-Y412 HydrophobicContact CG1-CE1 3.93Å; V382-Y412 HydrophobicContact CG2-CD1 3.66Å; V382-Y412 HydrophobicContact CG2-CE1 3.91Å; V382-Y412 HydrophobicContact CG2-CG 4.1Å; Q404-Y412 CarbonylContact C-O 3.46Å; Q404-Y412 WeakPolarHBondContact CA-O 3.24Å; V405-Y412 HydrophobicContact CB-CD1 4.23Å; V405-Y412 HydrophobicContact CG1-CD1 4.17Å; V405-Y412 PolarHBondContact N-O 2.93Å; L408-Y412 HydrophobicContact CB-CD1 4.28Å; L408-Y412 HydrophobicContact CB-CD2 3.81Å; L408-Y412 HydrophobicContact CB-CG 3.63Å; L408-Y412 HydrophobicContact CD1-CD1 4.05Å; L408-Y412 HydrophobicContact CD1-CD2 3.88Å; L408-Y412 HydrophobicContact CD1-CE1 4.01Å; L408-Y412 HydrophobicContact CD1-CE2 3.87Å; L408-Y412 HydrophobicContact CD1-CG 4Å; L408-Y412 HydrophobicContact CG-CG 4.48Å; D409-Y412 PolarHBondContact O-N 3.09Å; D409-Y412 VanDerWaalsContact O-N 3.14Å
413	Y	96.5	Very high	92.9	Very high	7 Å²	7	40 Å²	40	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.7	-174.6	170.9	-83.7	0	0	0	110.9	H94 M237 R240 D402 F403 Q404 S415	H94-Y413 PolarHBondContact CE1-OH 2.97Å; H94-Y413 VanDerWaalsContact CE1-OH 3.24Å; H94-Y413 PolarHBondContact ND1-OH 3.48Å; M237-Y413 HydrophobicContact CE-CD1 3.79Å; M237-Y413 HydrophobicContact CE-CD2 3.93Å; M237-Y413 HydrophobicContact CE-CE1 3.64Å; M237-Y413 HydrophobicContact CE-CE2 3.75Å; M237-Y413 HydrophobicContact CE-CG 3.94Å; M237-Y413 HydrophobicContact SD-CD1 3.73Å; M237-Y413 HydrophobicContact SD-CE1 3.15Å; M237-Y413 WeakPolarHBondContact SD-CE1 3.27Å; M237-Y413 HydrophobicContact SD-CE2 4.21Å; M237-Y413 HydrophobicContact SD-CG 4.47Å; R240-Y413 HydrophobicContact CB-CD1 4.1Å; R240-Y413 VanDerWaalsContact CD-O 3.25Å; R240-Y413 WeakPolarHBondContact CD-O 3.3Å; R240-Y413 HydrophobicContact CG-CD1 4.16Å; D402-Y413 WeakPolarHBondContact OD1-CE2 3.38Å; F403-Y413 WeakPolarHBondContact O-CA 3.41Å; Q404-Y413 HydrophobicContact CB-CD2 4.12Å; Q404-Y413 HydrophobicContact CG-CD2 4.25Å; Y413-S415 WeakPolarHBondContact OH-CB 3.41Å
414	D	96	Very high	92	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	146.4	167.9	-168.8	32.3	0	0	0	111.9	R240 I377 L379 F403 R416	R240-D414 VanDerWaalsContact CZ-CG 3.42Å; R240-D414 IonicContact CZ-OD1 2.75Å; R240-D414 IonicContact CZ-OD2 3.45Å; R240-D414 IonicContact NE-OD1 3.63Å; R240-D414 PolarHBondContact NE-OD1 3.13Å; R240-D414 IonicContact NH2-OD1 3.68Å; R240-D414 PolarHBondContact NH2-OD1 3.49Å; R240-D414 IonicContact NH2-OD2 3.67Å; R240-D414 PolarHBondContact NH2-OD2 3.1Å; I377-D414 HydrophobicContact CG2-CB 3.62Å; L379-D414 HydrophobicContact CD2-CB 3.82Å; F403-D414 PolarHBondContact N-O 3.09Å; F403-D414 PolarHBondContact O-N 2.92Å; D414-R416 IonicContact OD1-CZ 3.76Å; D414-R416 IonicContact OD1-NH1 3.63Å; D414-R416 PolarHBondContact OD1-NH1 3.32Å; D414-R416 IonicContact OD1-NH2 3.8Å; D414-R416 IonicContact OD2-CZ 3.81Å; D414-R416 VanDerWaalsContact OD2-CZ 3.22Å; D414-R416 IonicContact OD2-NH1 3.2Å; D414-R416 PolarHBondContact OD2-NH1 2.93Å; D414-R416 IonicContact OD2-NH2 2.7Å; D414-R416 PolarHBondContact OD2-NH2 2.86Å
415	S	95.5	Very high	91	Very high	5 Å²	5	50.5 Å²	50.5	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.6	-171.3	69.6	0	0	0	0	113.5	H94 L401 Y413	H94-S415 PolarHBondContact ND1-OG 3.5Å; L401-S415 CarbonylContact O-C 3.56Å; L401-S415 WeakPolarHBondContact O-CA 3.43Å; Y413-S415 WeakPolarHBondContact OH-CB 3.41Å
416	R	95	Very high	89.7	Confident	70 Å²	70	51.6 Å²	51.6	26%	0.264	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	133.6	176.4	-62	-67.1	-179.9	-84.6	-15.2	111	I375 I377 L401 D414	I375-R416 HydrophobicContact CG2-CB 4.21Å; I375-R416 HydrophobicContact CG2-CG 4.12Å; I377-R416 HydrophobicContact CD1-CB 4.37Å; I377-R416 HydrophobicContact CD1-CG 3.76Å; I377-R416 HydrophobicContact CG1-CG 3.88Å; L401-R416 PolarHBondContact N-O 2.95Å; L401-R416 PolarHBondContact O-N 3.03Å; D414-R416 IonicContact OD1-CZ 3.76Å; D414-R416 IonicContact OD1-NH1 3.63Å; D414-R416 PolarHBondContact OD1-NH1 3.32Å; D414-R416 IonicContact OD1-NH2 3.8Å; D414-R416 IonicContact OD2-CZ 3.81Å; D414-R416 VanDerWaalsContact OD2-CZ 3.22Å; D414-R416 IonicContact OD2-NH1 3.2Å; D414-R416 PolarHBondContact OD2-NH1 2.93Å; D414-R416 IonicContact OD2-NH2 2.7Å; D414-R416 PolarHBondContact OD2-NH2 2.86Å
417	Y	93.8	Very high	88.5	Confident	41 Å²	41	57.5 Å²	57.5	16%	0.161	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	159.4	160.5	83.1	-88.4	0	0	0	110.7	F171 N173 V183 R399	F171-Y417 HydrophobicContact CB-CD1 3.75Å; F171-Y417 HydrophobicContact CB-CE1 3.63Å; F171-Y417 AromaticContact CD1-CD1 3.69Å; F171-Y417 HydrophobicContact CD1-CD1 3.69Å; F171-Y417 HydrophobicContact CD1-CE1 4.19Å; F171-Y417 AromaticContact CD2-CD1 3.57Å; F171-Y417 HydrophobicContact CD2-CD1 3.57Å; F171-Y417 HydrophobicContact CD2-CE1 4.34Å; F171-Y417 HydrophobicContact CD2-CG 4.06Å; F171-Y417 HydrophobicContact CE1-CD1 4.11Å; F171-Y417 HydrophobicContact CE2-CD1 4.02Å; F171-Y417 HydrophobicContact CE2-CG 4.29Å; F171-Y417 AromaticContact CG-CD1 3.38Å; F171-Y417 HydrophobicContact CG-CD1 3.38Å; F171-Y417 AromaticContact CG-CE1 3.82Å; F171-Y417 HydrophobicContact CG-CE1 3.82Å; F171-Y417 HydrophobicContact CG-CG 4.31Å; F171-Y417 HydrophobicContact CZ-CD1 4.27Å; N173-Y417 VanDerWaalsContact ND2-CE1 3.32Å; N173-Y417 WeakPolarHBondContact ND2-CE1 3.47Å; N173-Y417 PolarHBondContact ND2-OH 2.76Å; V183-Y417 HydrophobicContact CB-CE2 4.32Å; V183-Y417 HydrophobicContact CG1-CD2 4.3Å; V183-Y417 HydrophobicContact CG1-CE2 4.34Å; V183-Y417 HydrophobicContact CG2-CD2 4.35Å; V183-Y417 HydrophobicContact CG2-CE1 4.24Å; V183-Y417 HydrophobicContact CG2-CE2 3.61Å; V183-Y417 WeakPolarHBondContact CG2-OH 3.27Å; R399-Y417 CarbonylContact O-C 3.58Å; R399-Y417 WeakPolarHBondContact O-CA 3.43Å
418	F	93.2	Very high	87.6	Confident	10 Å²	10	55.5 Å²	55.5	4%	0.044	29%	0.287	C	S	.	.			trans	-156	161.2	179.6	40.4	-84.7	0	0	0	112.6	F372 I375 S398 R399 F400 L401 K421	F372-F418 HydrophobicContact CD1-CE1 4.46Å; F372-F418 HydrophobicContact CD1-CE2 4.18Å; F372-F418 AromaticContact CD1-CZ 3.79Å; F372-F418 HydrophobicContact CD1-CZ 3.79Å; F372-F418 AromaticContact CE1-CE2 3.69Å; F372-F418 HydrophobicContact CE1-CE2 3.69Å; F372-F418 AromaticContact CE1-CZ 3.62Å; F372-F418 HydrophobicContact CE1-CZ 3.62Å; I375-F418 HydrophobicContact CD1-CB 3.67Å; I375-F418 HydrophobicContact CD1-CD1 3.27Å; I375-F418 HydrophobicContact CD1-CD2 3.96Å; I375-F418 HydrophobicContact CD1-CE1 3.82Å; I375-F418 HydrophobicContact CD1-CE2 4.42Å; I375-F418 HydrophobicContact CD1-CG 3.35Å; I375-F418 HydrophobicContact CD1-CZ 4.36Å; S398-F418 WeakPolarHBondContact O-CE2 3.36Å; R399-F418 PolarHBondContact O-N 2.81Å; F400-F418 VanDerWaalsContact N-CZ 3.25Å; F400-F418 WeakPolarHBondContact O-CZ 3.3Å; L401-F418 HydrophobicContact CB-CE1 3.67Å; L401-F418 HydrophobicContact CB-CZ 4.31Å; F418-K421 HydrophobicContact CD2-CD 4.14Å; F418-K421 HydrophobicContact CD2-CG 4.01Å; F418-K421 HydrophobicContact CE2-CB 4.42Å; F418-K421 HydrophobicContact CE2-CD 4.23Å; F418-K421 HydrophobicContact CE2-CG 4.22Å
419	P	90.5	Very high	86.7	Confident	106 Å²	106	59.3 Å²	59.3	69%	0.688	31%	0.307	S	S	*	.	S	Bend	trans	-57.6	152.3	165.6	-21	33.4	0	0	0	111.5	K421	P419-K421 PolarHBondContact O-N 3.36Å
420	E	90.3	Very high	85.8	Confident	110 Å²	110	59 Å²	59	51%	0.514	31%	0.306	S	S	.	.			trans	-57.5	130.9	-167.9	-156.1	164.7	141.9	0	0	114.2	S398 R399	S398-E420 CarbonylContact O-C 3.56Å; S398-E420 WeakPolarHBondContact O-CA 3.07Å; R399-E420 HydrophobicContact CG-CB 4.13Å; R399-E420 HydrophobicContact CG-CG 4.1Å; R399-E420 IonicContact CZ-OE2 3.69Å; R399-E420 IonicContact NE-OE2 3.68Å; R399-E420 PolarHBondContact NE-OE2 2.02Å; R399-E420 IonicContact NH2-OE2 3.82Å; R399-E420 PolarHBondContact NH2-OE2 2.85Å
421	K	89.5	Confident	85.1	Confident	43 Å²	43	56.9 Å²	56.9	19%	0.187	30%	0.299	C	S	.	.			trans	-115.3	125.5	172.7	-64.6	-168.8	-176.9	-168.3	0	110.6	F372 D373 S398 F418 P419 I423	F372-K421 HydrophobicContact CD1-CD 4.5Å; F372-K421 HydrophobicContact CE1-CB 4.47Å; F372-K421 HydrophobicContact CE1-CD 4.03Å; D373-K421 IonicContact OD2-NZ 3.52Å; D373-K421 PolarHBondContact OD2-NZ 3.16Å; S398-K421 PolarHBondContact O-N 3.19Å; F418-K421 HydrophobicContact CD2-CD 4.14Å; F418-K421 HydrophobicContact CD2-CG 4.01Å; F418-K421 HydrophobicContact CE2-CB 4.42Å; F418-K421 HydrophobicContact CE2-CD 4.23Å; F418-K421 HydrophobicContact CE2-CG 4.22Å; P419-K421 PolarHBondContact O-N 3.36Å; K421-I423 PolarHBondContact O-N 2.84Å
422	S	85.4	Confident	84.4	Confident	127 Å²	127	53.4 Å²	53.4	89%	0.888	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-64.6	123.6	170.3	-50	0	0	0	0	110.5
423	I	83	Confident	83.8	Confident	33 Å²	33	52.8 Å²	52.8	17%	0.169	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-101	125.8	173.7	-50	178.1	0	0	0	109	V334 W357 F372 F396 K421 R425	V334-I423 HydrophobicContact CG1-CG2 3.77Å; V334-I423 HydrophobicContact CG2-CG2 4.2Å; W357-I423 HydrophobicContact CB-CG2 4.24Å; W357-I423 HydrophobicContact CD2-CG2 4.27Å; W357-I423 HydrophobicContact CG-CG2 3.71Å; F372-I423 HydrophobicContact CZ-CD1 4.16Å; F372-I423 HydrophobicContact CZ-CG1 4.1Å; F396-I423 HydrophobicContact CD2-CD1 4.2Å; F396-I423 HydrophobicContact CE2-CD1 4.45Å; K421-I423 PolarHBondContact O-N 2.84Å; I423-R425 PolarHBondContact O-N 3.42Å
424	S	79	Confident	83.2	Confident	60 Å²	60	55.5 Å²	55.5	42%	0.42	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-57.8	126.3	-179.7	-48.6	0	0	0	0	111.6	V334 A356 W357	V334-S424 WeakPolarHBondContact CG2-O 3.35Å; A356-S424 WeakPolarHBondContact O-CB 3.36Å; A356-S424 PolarHBondContact O-OG 2.9Å; W357-S424 PolarHBondContact NE1-O 2.87Å
425	R	74.4	Confident	82.7	Confident	188 Å²	188	57.6 Å²	57.6	71%	0.709	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-100.3	158.3	175	-61.2	-178.2	179.5	-179.6	-2	110.6	V334 I423	V334-R425 HydrophobicContact CG2-CG 4.11Å; I423-R425 PolarHBondContact O-N 3.42Å
426	G	67.1	Low	82.2	Confident	23 Å²	23	57.4 Å²	57.4	24%	0.237	32%	0.316	C	S	.	.	S	Bend	trans	98.8	-163	-176.7	0	0	0	0	0	113.2	T331 V428	T331-G426 CarbonylContact O-C 3.37Å; T331-G426 VanDerWaalsContact O-C 3.27Å; T331-G426 VanDerWaalsContact O-CA 3.25Å; T331-G426 WeakPolarHBondContact O-CA 3.4Å; G426-V428 PolarHBondContact O-N 2.75Å
427	L	67.3	Low	81.5	Confident	124 Å²	124	59.4 Å²	59.4	65%	0.649	33%	0.327	S	S	*	.			trans	-60.5	124.5	-179.8	-68.9	166.4	0	0	0	112.6	L329 F330 T331	L329-L427 HydrophobicContact CB-CD2 4.13Å; L329-L427 HydrophobicContact CD2-CD2 4.36Å; F330-L427 VanDerWaalsContact O-CA 3.28Å; F330-L427 WeakPolarHBondContact O-CA 3.15Å; T331-L427 PolarHBondContact O-N 2.88Å
428	V	71.2	Confident	80.9	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.036	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.4	175.8	-55.4	0	0	0	0	110.2	F330 V354 A356 W357 G426	F330-V428 HydrophobicContact CD2-CG2 3.75Å; V354-V428 HydrophobicContact CG1-CB 3.82Å; V354-V428 HydrophobicContact CG1-CG2 3.63Å; A356-V428 HydrophobicContact CB-CB 3.88Å; A356-V428 HydrophobicContact CB-CG1 3.39Å; W357-V428 HydrophobicContact CH2-CG2 4.12Å; W357-V428 HydrophobicContact CZ2-CG2 3.64Å; G426-V428 PolarHBondContact O-N 2.75Å
429	D	74	Confident	80.7	Confident	86 Å²	86	59.8 Å²	59.8	46%	0.46	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.2	171.2	-65.3	-69.1	0	0	0	111.1	N327	N327-D429 PolarHBondContact ND2-OD1 3.12Å
430	I	74.9	Confident	80.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	148.8	160.2	-41.1	177.6	0	0	0	109.9	N327 A328 F330 F352 A353 V354 I432	N327-I430 WeakPolarHBondContact CA-O 3.22Å; A328-I430 HydrophobicContact CB-CB 4.22Å; A328-I430 HydrophobicContact CB-CD1 3.77Å; A328-I430 HydrophobicContact CB-CG1 4.08Å; A328-I430 PolarHBondContact O-N 2.97Å; F330-I430 HydrophobicContact CD2-CD1 4.19Å; F330-I430 HydrophobicContact CD2-CG1 4.25Å; F330-I430 HydrophobicContact CE1-CD1 4.12Å; F330-I430 HydrophobicContact CE2-CD1 3.3Å; F330-I430 HydrophobicContact CE2-CG1 3.61Å; F330-I430 HydrophobicContact CZ-CD1 3.25Å; F330-I430 HydrophobicContact CZ-CG1 4.11Å; F352-I430 HydrophobicContact CD2-CG2 3.75Å; F352-I430 HydrophobicContact CE2-CG2 3.3Å; F352-I430 HydrophobicContact CZ-CG2 3.87Å; A353-I430 CarbonylContact O-C 3.4Å; A353-I430 WeakPolarHBondContact O-CA 2.95Å; V354-I430 HydrophobicContact CG2-CB 4.29Å; V354-I430 HydrophobicContact CG2-CG1 4.11Å; V354-I430 HydrophobicContact CG2-CG2 4.12Å; I430-I432 HydrophobicContact CG2-CD1 4.04Å; I430-I432 HydrophobicContact CG2-CG1 3.75Å
431	I	80.3	Confident	80.6	Confident	51 Å²	51	49.6 Å²	49.6	26%	0.262	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136	164.5	-67.5	173.5	0	0	0	107.8	V325 M350 F352 A353 N434	V325-I431 HydrophobicContact CG1-CB 4.39Å; V325-I431 HydrophobicContact CG1-CG1 4Å; V325-I431 HydrophobicContact CG1-CG2 4.12Å; M350-I431 HydrophobicContact CG-CG2 4.45Å; M350-I431 HydrophobicContact SD-CB 4.38Å; M350-I431 HydrophobicContact SD-CG2 3.71Å; F352-I431 CarbonylContact C-O 3.53Å; F352-I431 VanDerWaalsContact CA-O 3.26Å; F352-I431 WeakPolarHBondContact CA-O 2.9Å; A353-I431 HydrophobicContact CB-CB 4.35Å; A353-I431 PolarHBondContact N-O 2.93Å; A353-I431 PolarHBondContact O-N 2.77Å; I431-N434 HydrophobicContact CG2-CB 3.54Å
432	I	80	Confident	80.5	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.7	178.6	-56.9	-175.9	0	0	0	110.9	Y326 L340 V351 F352 I430 N434 L441 W475	Y326-I432 HydrophobicContact CD2-CB 4.12Å; L340-I432 HydrophobicContact CD2-CG2 4.27Å; V351-I432 WeakPolarHBondContact O-CA 3.46Å; F352-I432 HydrophobicContact CD2-CD1 4.35Å; F352-I432 HydrophobicContact CD2-CG1 4.13Å; I430-I432 HydrophobicContact CG2-CD1 4.04Å; I430-I432 HydrophobicContact CG2-CG1 3.75Å; I432-N434 PolarHBondContact O-N 2.85Å; I432-L441 HydrophobicContact CG2-CD1 3.83Å; I432-W475 HydrophobicContact CD1-CE3 4.14Å; I432-W475 HydrophobicContact CD1-CH2 3.29Å; I432-W475 HydrophobicContact CD1-CZ2 4.44Å; I432-W475 HydrophobicContact CD1-CZ3 3.12Å
433	A	82.5	Confident	80.2	Confident	4 Å²	4	41.8 Å²	41.8	3%	0.033	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.1	28.9	176.8	0	0	0	0	0	115.6	T321 M350 V351 A436 L441	T321-A433 HydrophobicContact CG2-CB 3.87Å; M350-A433 CarbonylContact O-C 3.56Å; M350-A433 VanDerWaalsContact O-C 3.29Å; M350-A433 WeakPolarHBondContact O-CA 3.4Å; M350-A433 PolarHBondContact O-N 2.98Å; V351-A433 PolarHBondContact O-N 3.41Å; A433-A436 HydrophobicContact CB-CB 4.3Å; A433-A436 VanDerWaalsContact O-CB 3.25Å; A433-A436 WeakPolarHBondContact O-CB 3.37Å; A433-A436 PolarHBondContact O-N 3.01Å; A433-L441 HydrophobicContact CB-CD1 3.84Å; A433-L441 HydrophobicContact CB-CD2 4.21Å; A433-L441 HydrophobicContact CB-CG 4.39Å
434	N	85.3	Confident	80.1	Confident	65 Å²	65	40.5 Å²	40.5	35%	0.348	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	135.5	-179	179.3	25	0	0	0	111	V325 M350 I431 I432 A436	V325-N434 HydrophobicContact CG2-CB 4.33Å; M350-N434 HydrophobicContact CB-CB 4.25Å; M350-N434 PolarHBondContact N-O 3.14Å; M350-N434 PolarHBondContact O-N 3.05Å; I431-N434 HydrophobicContact CG2-CB 3.54Å; I432-N434 PolarHBondContact O-N 2.85Å; N434-A436 PolarHBondContact O-N 2.86Å
435	G	84.8	Confident	80	Confident	52 Å²	52	37.9 Å²	37.9	54%	0.536	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-11.4	-169.9	0	0	0	0	0	114.6	K437	G435-K437 PolarHBondContact O-N 2.9Å
436	A	84	Confident	80.1	Confident	1 Å²	1	29 Å²	29	1%	0.008	17%	0.168	C	C	.	.			trans	-93.8	92.3	-179.8	0	0	0	0	0	110.8	T321 F349 A433 N434 T439	T321-A436 WeakPolarHBondContact CB-O 3.17Å; T321-A436 PolarHBondContact OG1-O 2.77Å; F349-A436 HydrophobicContact CB-CB 3.78Å; F349-A436 HydrophobicContact CD2-CB 3.54Å; F349-A436 HydrophobicContact CE2-CB 4.24Å; F349-A436 HydrophobicContact CG-CB 3.74Å; A433-A436 HydrophobicContact CB-CB 4.3Å; A433-A436 VanDerWaalsContact O-CB 3.25Å; A433-A436 WeakPolarHBondContact O-CB 3.37Å; A433-A436 PolarHBondContact O-N 3.01Å; N434-A436 PolarHBondContact O-N 2.86Å; A436-T439 HydrophobicContact CB-CG2 3.9Å; A436-T439 WeakPolarHBondContact CB-OG1 3.47Å
437	K	80.9	Confident	80.4	Confident	112 Å²	112	28.2 Å²	28.2	49%	0.487	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	152.2	163.7	-158.2	173.2	-178.8	-81.4	0	109.6	N323 G435 T439	N323-K437 WeakPolarHBondContact OD1-CA 3.47Å; N323-K437 WeakPolarHBondContact OD1-CB 3.43Å; N323-K437 VanDerWaalsContact OD1-CG 3.29Å; N323-K437 WeakPolarHBondContact OD1-CG 3.42Å; N323-K437 PolarHBondContact OD1-N 2.85Å; G435-K437 PolarHBondContact O-N 2.9Å; K437-T439 PolarHBondContact O-N 2.9Å; K437-T439 PolarHBondContact O-OG1 2.91Å
438	D	81.8	Confident	80.2	Confident	59 Å²	59	22.6 Å²	22.6	32%	0.316	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	26.6	158.2	-97.2	-62.8	0	0	0	113.1	T321 R509	T321-D438 PolarHBondContact O-N 2.86Å; T321-D438 PolarHBondContact OG1-N 2.92Å; D438-R509 VanDerWaalsContact CG-NH1 3.29Å; D438-R509 PolarHBondContact O-NH1 3.34Å; D438-R509 IonicContact OD1-CZ 2.74Å; D438-R509 IonicContact OD1-NH1 3.77Å; D438-R509 PolarHBondContact OD1-NH1 3.34Å; D438-R509 IonicContact OD1-NH2 3.34Å
439	T	89	Confident	79.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.			trans	-107.4	139.9	-171.5	-73.4	0	0	0	0	108.6	S320 T321 V342 T344 A436 K437	S320-T439 CarbonylContact C-O 3.54Å; S320-T439 VanDerWaalsContact CA-O 3.3Å; S320-T439 WeakPolarHBondContact CA-O 3.17Å; T321-T439 WeakPolarHBondContact CG2-O 3.42Å; T321-T439 PolarHBondContact N-O 3.48Å; T321-T439 PolarHBondContact OG1-N 3.12Å; T321-T439 VanDerWaalsContact OG1-N 3.12Å; T321-T439 PolarHBondContact OG1-O 2.63Å; V342-T439 HydrophobicContact CG1-CG2 4Å; T344-T439 PolarHBondContact OG1-OG1 2.72Å; A436-T439 HydrophobicContact CB-CG2 3.9Å; A436-T439 WeakPolarHBondContact CB-OG1 3.47Å; K437-T439 PolarHBondContact O-N 2.9Å; K437-T439 PolarHBondContact O-OG1 2.91Å
440	C	90	Very high	78.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.7	-173.1	-89.4	0	0	0	0	111.7	W319 V342 R343 W389 C484 W508	W319-C440 WeakPolarHBondContact O-CA 3.46Å; V342-C440 CarbonylContact C-O 3.56Å; V342-C440 WeakPolarHBondContact CA-O 3.36Å; R343-C440 HydrophobicContact CB-CB 3.9Å; R343-C440 HydrophobicContact CG-CB 4.49Å; R343-C440 PolarHBondContact N-O 2.86Å; R343-C440 PolarHBondContact O-N 2.86Å; W389-C440 HydrophobicContact CH2-CB 3.7Å; W389-C440 HydrophobicContact CZ2-CB 4.23Å; W389-C440 HydrophobicContact CZ3-CB 4.14Å; C440-C484 HydrophobicContact CB-CB 4.07Å; C440-C484 WeakPolarHBondContact CB-SG 3.28Å; C440-C484 WeakPolarHBondContact SG-CA 3.36Å; C440-C484 WeakPolarHBondContact SG-CB 3.23Å; C440-C484 CovalentContact SG-SG 2.02Å; C440-C484 PolarHBondContact SG-SG 3.34Å; C440-W508 HydrophobicContact CB-CH2 4.49Å; C440-W508 HydrophobicContact CB-CZ2 4.13Å
441	L	88.7	Confident	77	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.1	179.3	-60.7	176.2	0	0	0	108.7	G318 W319 T321 Y326 L340 S341 V342 I432 A433	G318-L441 CarbonylContact C-O 3.47Å; G318-L441 WeakPolarHBondContact CA-O 3.16Å; W319-L441 HydrophobicContact CD2-CB 4.34Å; W319-L441 HydrophobicContact CZ2-CB 3.74Å; W319-L441 PolarHBondContact N-O 3.05Å; W319-L441 PolarHBondContact O-N 2.84Å; T321-L441 HydrophobicContact CG2-CD1 3.8Å; T321-L441 HydrophobicContact CG2-CG 4.22Å; Y326-L441 HydrophobicContact CE2-CD1 4.44Å; L340-L441 HydrophobicContact CD1-CD2 4.35Å; L340-L441 HydrophobicContact CD2-CD2 4.36Å; S341-L441 WeakPolarHBondContact O-CA 3.25Å; V342-L441 HydrophobicContact CB-CD2 4.46Å; V342-L441 HydrophobicContact CG1-CD2 4.22Å; V342-L441 HydrophobicContact CG2-CD2 3.96Å; I432-L441 HydrophobicContact CG2-CD1 3.83Å; A433-L441 HydrophobicContact CB-CD1 3.84Å; A433-L441 HydrophobicContact CB-CD2 4.21Å; A433-L441 HydrophobicContact CB-CG 4.39Å
442	D	86.7	Confident	75.3	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	173.9	179.6	-174.7	21.1	0	0	0	108.1	R50 S316 S341 W389 A444	R50-D442 IonicContact CZ-OD2 3.57Å; R50-D442 IonicContact NE-OD2 2.71Å; R50-D442 IonicContact NH2-OD2 2.73Å; R50-D442 PolarHBondContact NH2-OD2 2.83Å; S316-D442 WeakPolarHBondContact CB-OD1 3.43Å; S316-D442 PolarHBondContact OG-OD1 2.95Å; S341-D442 WeakPolarHBondContact CB-O 3.33Å; S341-D442 PolarHBondContact N-O 2.69Å; S341-D442 PolarHBondContact O-N 2.86Å; S341-D442 VanDerWaalsContact O-N 3.14Å; W389-D442 HydrophobicContact CH2-CB 3.52Å; W389-D442 HydrophobicContact CZ2-CB 4.3Å; W389-D442 HydrophobicContact CZ3-CB 3.68Å; D442-A444 VanDerWaalsContact C-N 3.28Å; D442-A444 PolarHBondContact O-N 2.95Å; D442-A444 VanDerWaalsContact O-N 3.16Å
443	D	80.5	Confident	73.8	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.6	47.3	161.1	178.5	62.9	0	0	0	111.7	L295 R339 L340 S341 W445	L295-D443 WeakPolarHBondContact CD2-OD2 3.18Å; R339-D443 IonicContact CZ-OD1 2.77Å; R339-D443 IonicContact NE-OD2 3.67Å; R339-D443 IonicContact NH1-OD1 2.69Å; R339-D443 PolarHBondContact NH1-OD1 2.94Å; L340-D443 WeakPolarHBondContact CA-O 3.41Å; S341-D443 PolarHBondContact N-O 2.84Å; S341-D443 WeakPolarHBondContact OG-CB 3.33Å; S341-D443 PolarHBondContact OG-OD2 3.46Å; D443-W445 VanDerWaalsContact C-CD1 3.41Å; D443-W445 VanDerWaalsContact C-NE1 3.26Å; D443-W445 PolarHBondContact O-NE1 3.19Å; D443-W445 PolarHBondContact OD1-NE1 3.37Å
444	A	80	Confident	72.3	Confident	6 Å²	6	30.3 Å²	30.3	5%	0.05	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	110	-173.9	0	0	0	0	0	110.4	W319 R339 L340 D442 P460 L461 W475	W319-A444 HydrophobicContact CH2-CB 4.12Å; R339-A444 CarbonylContact O-C 3.59Å; R339-A444 WeakPolarHBondContact O-CA 3.31Å; L340-A444 HydrophobicContact CD1-CB 3.63Å; D442-A444 VanDerWaalsContact C-N 3.28Å; D442-A444 PolarHBondContact O-N 2.95Å; D442-A444 VanDerWaalsContact O-N 3.16Å; A444-P460 CarbonylContact O-C 3.52Å; A444-P460 VanDerWaalsContact O-CA 3.27Å; A444-P460 WeakPolarHBondContact O-CA 3.1Å; A444-L461 HydrophobicContact CB-CB 4.14Å; A444-L461 HydrophobicContact CB-CD1 3.89Å; A444-L461 PolarHBondContact O-N 3.41Å; A444-W475 HydrophobicContact CB-CH2 4.12Å; A444-W475 HydrophobicContact CB-CZ2 4.08Å
445	W	77.5	Confident	70.8	Confident	5 Å²	5	28.4 Å²	28.4	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.7	-173.6	-40.4	80.1	0	0	0	112.7	C293 R298 P299 L338 R339 D443 D458 Y459 P460	C293-W445 HydrophobicContact CB-CH2 4.33Å; C293-W445 HydrophobicContact CB-CZ2 4.5Å; R298-W445 HydrophobicContact CB-CH2 3.88Å; R298-W445 HydrophobicContact CB-CZ2 4.38Å; P299-W445 VanDerWaalsContact CD-CZ3 3.48Å; P299-W445 HydrophobicContact CG-CH2 4.32Å; P299-W445 HydrophobicContact CG-CZ3 3.98Å; L338-W445 WeakPolarHBondContact CA-O 3.08Å; R339-W445 HydrophobicContact CB-CB 4.18Å; R339-W445 HydrophobicContact CB-CG 4.38Å; R339-W445 PolarHBondContact N-O 2.92Å; R339-W445 PolarHBondContact O-N 2.89Å; D443-W445 VanDerWaalsContact C-CD1 3.41Å; D443-W445 VanDerWaalsContact C-NE1 3.26Å; D443-W445 PolarHBondContact O-NE1 3.19Å; D443-W445 PolarHBondContact OD1-NE1 3.37Å; W445-D458 HydrophobicContact CB-CB 4.18Å; W445-D458 HydrophobicContact CD2-CB 4.13Å; W445-D458 HydrophobicContact CE3-CB 3.69Å; W445-D458 HydrophobicContact CG-CB 4.34Å; W445-Y459 CarbonylContact C-O 3.56Å; W445-Y459 WeakPolarHBondContact CA-O 3.31Å; W445-P460 HydrophobicContact CD2-CB 4.15Å; W445-P460 HydrophobicContact CE3-CB 3.48Å; W445-P460 VanDerWaalsContact CE3-CB 3.48Å; W445-P460 HydrophobicContact CE3-CG 3.87Å; W445-P460 HydrophobicContact CH2-CB 3.98Å; W445-P460 HydrophobicContact CH2-CG 4.28Å; W445-P460 HydrophobicContact CZ3-CB 3.42Å; W445-P460 VanDerWaalsContact CZ3-CB 3.42Å; W445-P460 HydrophobicContact CZ3-CG 3.5Å
446	I	74.9	Confident	69.3	Low	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.7	175.5	-76	-168.6	0	0	0	111.4	F330 P335 R337 L338 F448 Y459 L461	F330-I446 HydrophobicContact CE1-CD1 3.89Å; F330-I446 HydrophobicContact CZ-CD1 3.42Å; F330-I446 VanDerWaalsContact CZ-CD1 3.42Å; P335-I446 HydrophobicContact CB-CG2 3.28Å; P335-I446 HydrophobicContact CG-CD1 4.49Å; P335-I446 HydrophobicContact CG-CG2 3.93Å; R337-I446 WeakPolarHBondContact O-CA 3.43Å; L338-I446 HydrophobicContact CD1-CD1 3.95Å; L338-I446 HydrophobicContact CD1-CG1 3.7Å; I446-F448 HydrophobicContact CG2-CD1 4.23Å; I446-F448 HydrophobicContact CG2-CD2 4.18Å; I446-F448 HydrophobicContact CG2-CE1 4.04Å; I446-F448 HydrophobicContact CG2-CE2 3.98Å; I446-F448 HydrophobicContact CG2-CG 4.31Å; I446-F448 HydrophobicContact CG2-CZ 3.92Å; I446-Y459 PolarHBondContact N-O 3.04Å; I446-Y459 WeakPolarHBondContact O-CB 3.34Å; I446-Y459 PolarHBondContact O-N 3.22Å; I446-L461 HydrophobicContact CD1-CD1 3.92Å; I446-L461 HydrophobicContact CD1-CD2 3.78Å; I446-L461 HydrophobicContact CD1-CG 4.17Å; I446-L461 HydrophobicContact CG1-CD1 3.79Å; I446-L461 HydrophobicContact CG1-CD2 4.24Å; I446-L461 HydrophobicContact CG1-CG 4.11Å
447	D	73.9	Confident	68.2	Low	6 Å²	6	28.1 Å²	28.1	3%	0.032	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	105.6	168	179.1	53.4	0	0	0	110	K190 P335 N336 R337 Q457	K190-D447 WeakPolarHBondContact CE-OD2 3.45Å; K190-D447 IonicContact NZ-OD1 3.6Å; K190-D447 IonicContact NZ-OD2 3.08Å; K190-D447 PolarHBondContact NZ-OD2 3.37Å; P335-D447 CarbonylContact C-O 3.53Å; P335-D447 VanDerWaalsContact CA-O 3.25Å; P335-D447 WeakPolarHBondContact CA-O 3.25Å; P335-D447 VanDerWaalsContact CB-O 3.28Å; P335-D447 WeakPolarHBondContact CB-O 3.42Å; N336-D447 PolarHBondContact N-O 3.4Å; R337-D447 HydrophobicContact CB-CB 3.97Å; R337-D447 PolarHBondContact O-N 3.29Å; D447-Q457 PolarHBondContact OD1-N 2.98Å
448	F	64.5	Low	67.2	Low	7 Å²	7	23.4 Å²	23.4	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	148.3	172.7	-69	-73.6	0	0	0	111.3	F330 K333 P335 I446 N450 Y459 I464	F330-F448 AromaticContact CD1-CE1 3.76Å; F330-F448 HydrophobicContact CD1-CE1 3.76Å; F330-F448 AromaticContact CD1-CZ 3.98Å; F330-F448 HydrophobicContact CD1-CZ 3.98Å; F330-F448 AromaticContact CE1-CE1 3.89Å; F330-F448 HydrophobicContact CE1-CE1 3.89Å; F330-F448 AromaticContact CE1-CZ 3.88Å; F330-F448 HydrophobicContact CE1-CZ 3.88Å; K333-F448 HydrophobicContact CB-CD1 4.03Å; K333-F448 WeakPolarHBondContact O-CD1 3.48Å; P335-F448 HydrophobicContact CB-CD1 4.29Å; I446-F448 HydrophobicContact CG2-CD1 4.23Å; I446-F448 HydrophobicContact CG2-CD2 4.18Å; I446-F448 HydrophobicContact CG2-CE1 4.04Å; I446-F448 HydrophobicContact CG2-CE2 3.98Å; I446-F448 HydrophobicContact CG2-CG 4.31Å; I446-F448 HydrophobicContact CG2-CZ 3.92Å; F448-N450 PolarHBondContact O-N 2.87Å; F448-Y459 AromaticContact CD2-CD2 3.83Å; F448-Y459 HydrophobicContact CD2-CD2 3.83Å; F448-Y459 HydrophobicContact CD2-CE2 4.36Å; F448-Y459 HydrophobicContact CD2-CG 4.13Å; F448-Y459 HydrophobicContact CE2-CD2 4.49Å; F448-Y459 HydrophobicContact CE2-CG 4.36Å; F448-I464 HydrophobicContact CE2-CD1 4.06Å; F448-I464 HydrophobicContact CE2-CG2 4.46Å; F448-I464 HydrophobicContact CZ-CD1 3.99Å
449	R	58.2	Low	66.4	Low	40 Å²	40	21.2 Å²	21.2	15%	0.151	10%	0.101	C	C	.	.			trans	-58	104.2	167	-175.2	-177.2	-90.9	-171.7	-10.3	110.1	K190 E193 K333 N336	K190-R449 PolarHBondContact O-NE 2.9Å; K190-R449 PolarHBondContact O-NH2 2.85Å; E193-R449 IonicContact OE1-CZ 3.73Å; E193-R449 VanDerWaalsContact OE1-CZ 3.25Å; E193-R449 IonicContact OE1-NE 3.4Å; E193-R449 IonicContact OE1-NH1 3.97Å; E193-R449 PolarHBondContact OE1-NH1 3.41Å; E193-R449 IonicContact OE1-NH2 3.23Å; E193-R449 IonicContact OE2-CZ 3.07Å; E193-R449 IonicContact OE2-NH1 3.93Å; E193-R449 PolarHBondContact OE2-NH1 2.93Å; E193-R449 IonicContact OE2-NH2 3.32Å; E193-R449 PolarHBondContact OE2-NH2 2.93Å; K333-R449 PolarHBondContact NZ-O 2.93Å; N336-R449 WeakPolarHBondContact ND2-CA 3.39Å; N336-R449 WeakPolarHBondContact ND2-CB 3.29Å; N336-R449 PolarHBondContact ND2-N 3.02Å
450	N	51.3	Low	65.4	Low	8 Å²	8	21.6 Å²	21.6	4%	0.043	10%	0.103	C	C	.	.			trans	-70.7	156.4	163.1	-161.9	10.2	0	0	0	109.5	F448 W452 W708	F448-N450 PolarHBondContact O-N 2.87Å; N450-W452 VanDerWaalsContact C-N 3.3Å; N450-W708 WeakPolarHBondContact ND2-CZ2 3.49Å
451	I	43.1	Very low	64.3	Low	117 Å²	117	21.7 Å²	21.7	60%	0.6	10%	0.104	S	C	*	.	S	Bend	trans	-76.8	-27.1	176.5	-63.2	172.8	0	0	0	110.3
452	W	44.9	Very low	62.9	Low	89 Å²	89	25.1 Å²	25.1	34%	0.337	12%	0.12	S	C	.	.	S	Bend	trans	-95.5	129.6	179.4	-60.1	84.2	0	0	0	109.5	N450 D454 F455 W708	N450-W452 VanDerWaalsContact C-N 3.3Å; W452-D454 VanDerWaalsContact C-N 3.26Å; W452-D454 PolarHBondContact O-N 2.81Å; W452-F455 HydrophobicContact CB-CD2 4.28Å; W452-F455 HydrophobicContact CB-CE2 4.23Å; W452-W708 HydrophobicContact CB-CH2 4.33Å; W452-W708 HydrophobicContact CB-CZ3 4.41Å; W452-W708 AromaticContact CD1-CE3 3.37Å; W452-W708 AromaticContact CD1-CH2 3.62Å; W452-W708 AromaticContact CD1-CZ3 2.99Å; W452-W708 HydrophobicContact CD2-CZ3 4.35Å; W452-W708 HydrophobicContact CG-CE3 4.42Å; W452-W708 HydrophobicContact CG-CH2 4.07Å; W452-W708 AromaticContact CG-CZ3 3.68Å; W452-W708 HydrophobicContact CG-CZ3 3.68Å; W452-W708 AromaticContact NE1-CE3 3.42Å; W452-W708 AromaticContact NE1-CZ3 3.34Å; W452-W708 VanDerWaalsContact NE1-CZ3 3.34Å
453	P	48.3	Very low	61.5	Low	32 Å²	32	25.6 Å²	25.6	21%	0.208	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.8	-164	17.4	-23.5	0	0	0	115	Y191 L194 F455	Y191-P453 HydrophobicContact CD1-CB 4.45Å; Y191-P453 HydrophobicContact CD2-CB 3.63Å; Y191-P453 HydrophobicContact CE1-CB 4.42Å; Y191-P453 VanDerWaalsContact CE2-CA 3.46Å; Y191-P453 HydrophobicContact CE2-CB 3.58Å; Y191-P453 WeakPolarHBondContact CE2-O 3Å; Y191-P453 HydrophobicContact CG-CB 4.08Å; Y191-P453 VanDerWaalsContact OH-C 3.29Å; Y191-P453 PolarHBondContact OH-O 2.82Å; L194-P453 HydrophobicContact CD1-CB 4.42Å; L194-P453 HydrophobicContact CD1-CG 4.18Å; P453-F455 VanDerWaalsContact C-N 3.3Å; P453-F455 PolarHBondContact O-N 3.5Å
454	D	50.9	Low	60.3	Low	28 Å²	28	25.5 Å²	25.5	15%	0.15	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.4	-154.9	-35.7	-48.2	0	0	0	114.1	A164 N281 W452	A164-D454 HydrophobicContact CB-CB 3.65Å; N281-D454 PolarHBondContact ND2-O 2.83Å; W452-D454 VanDerWaalsContact C-N 3.26Å; W452-D454 PolarHBondContact O-N 2.81Å
455	F	52.4	Low	59.1	Low	25 Å²	25	27.7 Å²	27.7	11%	0.11	13%	0.133	C	C	.	.			trans	-130.1	112.3	-167.1	-47.5	-69.9	0	0	0	112	K190 N281 I288 W452 P453	K190-F455 PolarHBondContact NZ-O 3.07Å; N281-F455 HydrophobicContact CB-CE1 4.42Å; I288-F455 HydrophobicContact CB-CE1 3.9Å; I288-F455 HydrophobicContact CB-CZ 3.88Å; I288-F455 HydrophobicContact CG2-CD1 4.03Å; I288-F455 HydrophobicContact CG2-CE1 3.85Å; I288-F455 HydrophobicContact CG2-CE2 4.38Å; I288-F455 HydrophobicContact CG2-CG 4.4Å; I288-F455 HydrophobicContact CG2-CZ 4.02Å; I288-F455 WeakPolarHBondContact O-CE1 3.43Å; W452-F455 HydrophobicContact CB-CD2 4.28Å; W452-F455 HydrophobicContact CB-CE2 4.23Å; P453-F455 VanDerWaalsContact C-N 3.3Å; P453-F455 PolarHBondContact O-N 3.5Å
456	E	55	Low	58.1	Low	31 Å²	31	30.7 Å²	30.7	15%	0.145	15%	0.149	C	C	.	.			trans	-69.2	142.4	144.9	-63	171.6	158.3	0	0	108.1	Y167 R280 T290	Y167-E456 WeakPolarHBondContact CE2-OE1 3.17Å; Y167-E456 PolarHBondContact OH-OE1 3.06Å; R280-E456 IonicContact CZ-OE2 2.73Å; R280-E456 IonicContact NH1-OE1 3.04Å; R280-E456 IonicContact NH1-OE2 3.9Å; R280-E456 PolarHBondContact NH1-OE2 3.32Å; T290-E456 WeakPolarHBondContact CB-O 3.4Å; T290-E456 WeakPolarHBondContact CG2-O 3.46Å; T290-E456 PolarHBondContact OG1-O 2.81Å
457	Q	59	Low	57.3	Low	16 Å²	16	35.6 Å²	35.6	8%	0.075	18%	0.181	C	C	.	.			trans	-146.5	110.7	170.3	-171.1	174.3	8.5	0	0	110.8	P307 H308 D447 Y459	P307-Q457 PolarHBondContact O-NE2 3.01Å; H308-Q457 VanDerWaalsContact N-NE2 3.19Å; D447-Q457 PolarHBondContact OD1-N 2.98Å; Q457-Y459 HydrophobicContact CB-CD2 4.27Å; Q457-Y459 HydrophobicContact CB-CE2 3.74Å; Q457-Y459 VanDerWaalsContact CD-CE2 3.46Å; Q457-Y459 HydrophobicContact CG-CD2 4.09Å; Q457-Y459 HydrophobicContact CG-CE2 3.56Å; Q457-Y459 PolarHBondContact NE2-OH 3.11Å; Q457-Y459 VanDerWaalsContact O-CD2 3.22Å; Q457-Y459 WeakPolarHBondContact O-CD2 3.41Å; Q457-Y459 PolarHBondContact O-N 3.46Å; Q457-Y459 VanDerWaalsContact OE1-CZ 3.26Å; Q457-Y459 PolarHBondContact OE1-OH 3.39Å
458	D	60.2	Low	56.5	Low	13 Å²	13	41.6 Å²	41.6	7%	0.07	21%	0.212	C	C	.	.			trans	-70.7	93.3	177	-67.9	-27.7	0	0	0	110	Q292 R337 W445 P460	Q292-D458 WeakPolarHBondContact CG-OD2 3.21Å; R337-D458 IonicContact CZ-OD1 3.55Å; R337-D458 IonicContact NH1-OD1 3.46Å; R337-D458 PolarHBondContact NH1-OD1 2.99Å; R337-D458 IonicContact NH2-OD1 2.7Å; W445-D458 HydrophobicContact CB-CB 4.18Å; W445-D458 HydrophobicContact CD2-CB 4.13Å; W445-D458 HydrophobicContact CE3-CB 3.69Å; W445-D458 HydrophobicContact CG-CB 4.34Å; D458-P460 VanDerWaalsContact O-CD 3.25Å; D458-P460 WeakPolarHBondContact O-CD 3.13Å
459	Y	64.7	Low	56.3	Low	12 Å²	12	44.6 Å²	44.6	5%	0.047	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	111.1	167.3	-68.8	-95.9	0	0	0	108.1	P307 W445 I446 F448 Q457 L461 I464 R471	P307-Y459 HydrophobicContact CB-CE1 4.12Å; P307-Y459 HydrophobicContact CG-CE1 4.47Å; W445-Y459 CarbonylContact C-O 3.56Å; W445-Y459 WeakPolarHBondContact CA-O 3.31Å; I446-Y459 PolarHBondContact N-O 3.04Å; I446-Y459 WeakPolarHBondContact O-CB 3.34Å; I446-Y459 PolarHBondContact O-N 3.22Å; F448-Y459 AromaticContact CD2-CD2 3.83Å; F448-Y459 HydrophobicContact CD2-CD2 3.83Å; F448-Y459 HydrophobicContact CD2-CE2 4.36Å; F448-Y459 HydrophobicContact CD2-CG 4.13Å; F448-Y459 HydrophobicContact CE2-CD2 4.49Å; F448-Y459 HydrophobicContact CE2-CG 4.36Å; Q457-Y459 HydrophobicContact CB-CD2 4.27Å; Q457-Y459 HydrophobicContact CB-CE2 3.74Å; Q457-Y459 VanDerWaalsContact CD-CE2 3.46Å; Q457-Y459 HydrophobicContact CG-CD2 4.09Å; Q457-Y459 HydrophobicContact CG-CE2 3.56Å; Q457-Y459 PolarHBondContact NE2-OH 3.11Å; Q457-Y459 VanDerWaalsContact O-CD2 3.22Å; Q457-Y459 WeakPolarHBondContact O-CD2 3.41Å; Q457-Y459 PolarHBondContact O-N 3.46Å; Q457-Y459 VanDerWaalsContact OE1-CZ 3.26Å; Q457-Y459 PolarHBondContact OE1-OH 3.39Å; Y459-L461 PolarHBondContact O-N 2.92Å; Y459-I464 HydrophobicContact CD1-CG2 4.12Å; Y459-R471 VanDerWaalsContact CZ-NH1 3.29Å; Y459-R471 PolarHBondContact OH-NH1 3.33Å; Y459-R471 PolarHBondContact OH-NH2 3.03Å
460	P	68.3	Low	56	Low	8 Å²	8	48.5 Å²	48.5	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	136.3	173	25.5	-29.2	0	0	0	109.1	P299 A444 W445 D458 E462 I463	P299-P460 HydrophobicContact CG-CG 4.32Å; A444-P460 CarbonylContact O-C 3.52Å; A444-P460 VanDerWaalsContact O-CA 3.27Å; A444-P460 WeakPolarHBondContact O-CA 3.1Å; W445-P460 HydrophobicContact CD2-CB 4.15Å; W445-P460 HydrophobicContact CE3-CB 3.48Å; W445-P460 VanDerWaalsContact CE3-CB 3.48Å; W445-P460 HydrophobicContact CE3-CG 3.87Å; W445-P460 HydrophobicContact CH2-CB 3.98Å; W445-P460 HydrophobicContact CH2-CG 4.28Å; W445-P460 HydrophobicContact CZ3-CB 3.42Å; W445-P460 VanDerWaalsContact CZ3-CB 3.42Å; W445-P460 HydrophobicContact CZ3-CG 3.5Å; D458-P460 VanDerWaalsContact O-CD 3.25Å; D458-P460 WeakPolarHBondContact O-CD 3.13Å; P460-E462 PolarHBondContact O-N 3.43Å; P460-I463 HydrophobicContact CG-CB 4.06Å; P460-I463 HydrophobicContact CG-CD1 3.29Å; P460-I463 HydrophobicContact CG-CG1 3.62Å; P460-I463 PolarHBondContact O-N 2.93Å
461	L	66.6	Low	56.4	Low	2 Å²	2	50.2 Å²	50.2	1%	0.01	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.1	-178.4	-81.6	151	0	0	0	112.9	L338 A444 I446 Y459 I464 N465 W475	L338-L461 HydrophobicContact CD1-CD1 4.36Å; A444-L461 HydrophobicContact CB-CB 4.14Å; A444-L461 HydrophobicContact CB-CD1 3.89Å; A444-L461 PolarHBondContact O-N 3.41Å; I446-L461 HydrophobicContact CD1-CD1 3.92Å; I446-L461 HydrophobicContact CD1-CD2 3.78Å; I446-L461 HydrophobicContact CD1-CG 4.17Å; I446-L461 HydrophobicContact CG1-CD1 3.79Å; I446-L461 HydrophobicContact CG1-CD2 4.24Å; I446-L461 HydrophobicContact CG1-CG 4.11Å; Y459-L461 PolarHBondContact O-N 2.92Å; L461-I464 HydrophobicContact CD2-CD1 3.8Å; L461-N465 PolarHBondContact O-ND2 2.83Å; L461-N465 PolarHBondContact O-OD1 3.47Å; L461-W475 HydrophobicContact CB-CD2 4Å; L461-W475 HydrophobicContact CB-CE3 3.92Å; L461-W475 HydrophobicContact CB-CH2 3.66Å; L461-W475 HydrophobicContact CB-CZ2 3.71Å; L461-W475 HydrophobicContact CB-CZ3 3.73Å; L461-W475 HydrophobicContact CD1-CE3 4.49Å; L461-W475 HydrophobicContact CD1-CH2 3.59Å; L461-W475 HydrophobicContact CD1-CZ2 4.43Å; L461-W475 HydrophobicContact CD1-CZ3 3.6Å; L461-W475 HydrophobicContact CD2-CD2 4.45Å; L461-W475 HydrophobicContact CD2-CE3 3.66Å; L461-W475 HydrophobicContact CD2-CH2 4.28Å; L461-W475 HydrophobicContact CD2-CZ3 3.54Å; L461-W475 HydrophobicContact CG-CE3 4.23Å; L461-W475 HydrophobicContact CG-CH2 4.03Å; L461-W475 HydrophobicContact CG-CZ3 3.8Å
462	E	60.4	Low	56.9	Low	74 Å²	74	49.7 Å²	49.7	35%	0.346	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-38.1	169.5	-59	-162.2	136.4	0	0	113.8	R298 P460 N465	R298-E462 IonicContact NH1-OE2 2.94Å; R298-E462 PolarHBondContact NH1-OE2 2.73Å; P460-E462 PolarHBondContact O-N 3.43Å; E462-N465 VanDerWaalsContact C-ND2 3.32Å; E462-N465 VanDerWaalsContact CA-ND2 3.3Å; E462-N465 WeakPolarHBondContact CA-ND2 3.42Å; E462-N465 PolarHBondContact O-ND2 2.88Å
463	I	56.9	Low	57.6	Low	14 Å²	14	45.5 Å²	45.5	7%	0.072	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-77.2	-43.4	-169.7	-74.7	-179.3	0	0	0	111.5	P299 I301 W310 P460 N465 N466 F469	P299-I463 HydrophobicContact CB-CD1 4.15Å; P299-I463 HydrophobicContact CG-CD1 4.46Å; I301-I463 HydrophobicContact CG2-CD1 3.22Å; I301-I463 HydrophobicContact CG2-CG1 3.76Å; W310-I463 HydrophobicContact CD2-CD1 4.37Å; W310-I463 HydrophobicContact CE3-CD1 3.71Å; W310-I463 HydrophobicContact CH2-CD1 3.76Å; W310-I463 HydrophobicContact CH2-CG2 3.49Å; W310-I463 VanDerWaalsContact CH2-CG2 3.49Å; W310-I463 HydrophobicContact CZ2-CD1 4.38Å; W310-I463 HydrophobicContact CZ2-CG2 4.4Å; W310-I463 HydrophobicContact CZ3-CD1 3.38Å; W310-I463 HydrophobicContact CZ3-CG2 3.89Å; P460-I463 HydrophobicContact CG-CB 4.06Å; P460-I463 HydrophobicContact CG-CD1 3.29Å; P460-I463 HydrophobicContact CG-CG1 3.62Å; P460-I463 PolarHBondContact O-N 2.93Å; I463-N465 PolarHBondContact O-N 3.46Å; I463-N466 WeakPolarHBondContact O-CB 3.18Å; I463-N466 PolarHBondContact O-N 3.44Å; I463-N466 VanDerWaalsContact O-N 3.08Å; I463-F469 HydrophobicContact CG2-CD2 4.04Å; I463-F469 HydrophobicContact CG2-CE2 3.39Å; I463-F469 HydrophobicContact CG2-CZ 3.76Å; I463-F469 WeakPolarHBondContact O-CD2 3.49Å; I463-F469 WeakPolarHBondContact O-CE2 3.21Å
464	I	56.1	Low	58	Low	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-66.3	0.8	-178.5	58.5	178.1	0	0	0	112.9	F448 Y459 L461 N466 R471 Y472 T473	F448-I464 HydrophobicContact CE2-CD1 4.06Å; F448-I464 HydrophobicContact CE2-CG2 4.46Å; F448-I464 HydrophobicContact CZ-CD1 3.99Å; Y459-I464 HydrophobicContact CD1-CG2 4.12Å; L461-I464 HydrophobicContact CD2-CD1 3.8Å; I464-N466 VanDerWaalsContact C-N 3.33Å; I464-R471 WeakPolarHBondContact CB-O 3.35Å; I464-R471 WeakPolarHBondContact CG2-O 3.33Å; I464-Y472 CarbonylContact O-C 3.46Å; I464-Y472 WeakPolarHBondContact O-CA 3Å; I464-Y472 VanDerWaalsContact O-CB 3.29Å; I464-Y472 WeakPolarHBondContact O-CB 3.47Å; I464-T473 HydrophobicContact CD1-CG2 4.48Å; I464-T473 PolarHBondContact O-N 3.43Å
465	N	54.6	Low	58.6	Low	52 Å²	52	48 Å²	48	28%	0.278	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-85.4	-13.5	175	-48.8	-30.3	0	0	0	112.5	L461 E462 I463 P467 T473 W475	L461-N465 PolarHBondContact O-ND2 2.83Å; L461-N465 PolarHBondContact O-OD1 3.47Å; E462-N465 VanDerWaalsContact C-ND2 3.32Å; E462-N465 VanDerWaalsContact CA-ND2 3.3Å; E462-N465 WeakPolarHBondContact CA-ND2 3.42Å; E462-N465 PolarHBondContact O-ND2 2.88Å; I463-N465 PolarHBondContact O-N 3.46Å; N465-P467 VanDerWaalsContact O-CD 3.27Å; N465-P467 WeakPolarHBondContact O-CD 3.15Å; N465-T473 WeakPolarHBondContact CA-O 3.43Å; N465-T473 PolarHBondContact OD1-O 2.03Å; N465-W475 WeakPolarHBondContact ND2-CB 3.19Å; N465-W475 WeakPolarHBondContact OD1-CB 3.37Å
466	N	57	Low	58.9	Low	68 Å²	68	48 Å²	48	36%	0.364	25%	0.245	S	C	.	.	S	Bend	trans	-73.4	112.9	170.4	177.3	0.9	0	0	0	108.6	I463 I464 L468 F469	I463-N466 WeakPolarHBondContact O-CB 3.18Å; I463-N466 PolarHBondContact O-N 3.44Å; I463-N466 VanDerWaalsContact O-N 3.08Å; I464-N466 VanDerWaalsContact C-N 3.33Å; N466-L468 PolarHBondContact O-N 3.33Å; N466-L468 WeakPolarHBondContact OD1-CB 3.49Å; N466-L468 VanDerWaalsContact OD1-CG 3.29Å; N466-L468 WeakPolarHBondContact OD1-CG 3.44Å; N466-L468 PolarHBondContact OD1-N 3.37Å; N466-L468 VanDerWaalsContact OD1-N 3.16Å; N466-F469 HydrophobicContact CB-CD2 3.83Å; N466-F469 HydrophobicContact CB-CE2 3.89Å; N466-F469 PolarHBondContact O-N 3.34Å; N466-F469 VanDerWaalsContact O-N 3.09Å
467	P	58.3	Low	59.4	Low	103 Å²	103	52 Å²	52	67%	0.669	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	3.6	-175.2	31.9	-37.8	0	0	0	113.8	N465	N465-P467 VanDerWaalsContact O-CD 3.27Å; N465-P467 WeakPolarHBondContact O-CD 3.15Å
468	L	56.8	Low	59.7	Low	133 Å²	133	54.5 Å²	54.5	70%	0.696	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.9	169	-60.7	176	0	0	0	112.7	N466	N466-L468 PolarHBondContact O-N 3.33Å; N466-L468 WeakPolarHBondContact OD1-CB 3.49Å; N466-L468 VanDerWaalsContact OD1-CG 3.29Å; N466-L468 WeakPolarHBondContact OD1-CG 3.44Å; N466-L468 PolarHBondContact OD1-N 3.37Å; N466-L468 VanDerWaalsContact OD1-N 3.16Å
469	F	58.6	Low	59.9	Low	70 Å²	70	54.9 Å²	54.9	31%	0.307	30%	0.302	S	S	.	.	S	Bend	trans	-79.1	134.7	173.5	-65.4	-67.5	0	0	0	110.9	W310 I463 N466 R471 Y472	W310-F469 HydrophobicContact CH2-CE1 4.28Å; W310-F469 HydrophobicContact CH2-CZ 4.03Å; W310-F469 HydrophobicContact CZ2-CE1 4.4Å; W310-F469 HydrophobicContact CZ2-CZ 4.11Å; I463-F469 HydrophobicContact CG2-CD2 4.04Å; I463-F469 HydrophobicContact CG2-CE2 3.39Å; I463-F469 HydrophobicContact CG2-CZ 3.76Å; I463-F469 WeakPolarHBondContact O-CD2 3.49Å; I463-F469 WeakPolarHBondContact O-CE2 3.21Å; N466-F469 HydrophobicContact CB-CD2 3.83Å; N466-F469 HydrophobicContact CB-CE2 3.89Å; N466-F469 PolarHBondContact O-N 3.34Å; N466-F469 VanDerWaalsContact O-N 3.09Å; F469-R471 PolarHBondContact O-N 2.86Å; F469-R471 VanDerWaalsContact O-N 3.15Å; F469-Y472 PolarHBondContact O-N 3.1Å
470	Q	53.7	Low	60.3	Low	121 Å²	121	56.5 Å²	56.5	57%	0.565	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-35	174.3	-73.1	-172.6	-12.4	0	0	113.4	Y472 S710	Q470-Y472 PolarHBondContact O-N 2.89Å; Q470-S710 PolarHBondContact NE2-OG 3.39Å
471	R	58.9	Low	60.8	Low	44 Å²	44	61.4 Å²	61.4	17%	0.166	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	54.1	-177.5	-74.1	170.9	-80.3	168.3	2.8	109.9	Y459 I464 F469	Y459-R471 VanDerWaalsContact CZ-NH1 3.29Å; Y459-R471 PolarHBondContact OH-NH1 3.33Å; Y459-R471 PolarHBondContact OH-NH2 3.03Å; I464-R471 WeakPolarHBondContact CB-O 3.35Å; I464-R471 WeakPolarHBondContact CG2-O 3.33Å; F469-R471 PolarHBondContact O-N 2.86Å; F469-R471 VanDerWaalsContact O-N 3.15Å
472	Y	54	Low	61.3	Low	106 Å²	106	67.2 Å²	67.2	42%	0.416	37%	0.371	S	S	.	.			trans	-74.3	160	178.9	92.1	-88.4	0	0	0	111.7	T331 I464 F469 Q470	T331-Y472 HydrophobicContact CG2-CE1 4.05Å; I464-Y472 CarbonylContact O-C 3.46Å; I464-Y472 WeakPolarHBondContact O-CA 3Å; I464-Y472 VanDerWaalsContact O-CB 3.29Å; I464-Y472 WeakPolarHBondContact O-CB 3.47Å; F469-Y472 PolarHBondContact O-N 3.1Å; Q470-Y472 PolarHBondContact O-N 2.89Å
473	T	58.4	Low	62.3	Low	2 Å²	2	65.1 Å²	65.1	1%	0.012	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-143	134.9	173.7	-66.2	0	0	0	0	107.7	A328 F330 I464 N465 W475	A328-T473 HydrophobicContact CB-CG2 3.91Å; F330-T473 HydrophobicContact CD1-CG2 4.2Å; F330-T473 WeakPolarHBondContact CD1-OG1 3.45Å; F330-T473 HydrophobicContact CE1-CG2 4.15Å; I464-T473 HydrophobicContact CD1-CG2 4.48Å; I464-T473 PolarHBondContact O-N 3.43Å; N465-T473 WeakPolarHBondContact CA-O 3.43Å; N465-T473 PolarHBondContact OD1-O 2.03Å; T473-W475 PolarHBondContact O-N 2.93Å; T473-W475 VanDerWaalsContact O-N 3.1Å
474	D	57.2	Low	63.7	Low	99 Å²	99	65.6 Å²	65.6	53%	0.529	37%	0.374	S	S	.	.			trans	-84.6	80.4	-179.7	-170.8	7.3	0	0	0	111.5	A328 G476	A328-D474 VanDerWaalsContact CA-O 3.27Å; A328-D474 WeakPolarHBondContact CA-O 3.43Å; A328-D474 WeakPolarHBondContact CB-O 3.14Å; D474-G476 VanDerWaalsContact C-N 3.34Å; D474-G476 PolarHBondContact O-N 2.76Å; D474-G476 VanDerWaalsContact O-N 3.15Å
475	W	62.9	Low	64.9	Low	12 Å²	12	69.3 Å²	69.3	5%	0.045	40%	0.4	C	S	.	.			trans	-86.2	65.9	-177.7	180	-106.1	0	0	0	111.6	W319 A328 I432 A444 L461 N465 T473 T477 R480	W319-W475 HydrophobicContact CH2-CZ2 4.37Å; W319-W475 AromaticContact CZ2-CZ2 3.91Å; W319-W475 HydrophobicContact CZ2-CZ2 3.91Å; A328-W475 HydrophobicContact CB-CE3 4.42Å; I432-W475 HydrophobicContact CD1-CE3 4.14Å; I432-W475 HydrophobicContact CD1-CH2 3.29Å; I432-W475 HydrophobicContact CD1-CZ2 4.44Å; I432-W475 HydrophobicContact CD1-CZ3 3.12Å; A444-W475 HydrophobicContact CB-CH2 4.12Å; A444-W475 HydrophobicContact CB-CZ2 4.08Å; L461-W475 HydrophobicContact CB-CD2 4Å; L461-W475 HydrophobicContact CB-CE3 3.92Å; L461-W475 HydrophobicContact CB-CH2 3.66Å; L461-W475 HydrophobicContact CB-CZ2 3.71Å; L461-W475 HydrophobicContact CB-CZ3 3.73Å; L461-W475 HydrophobicContact CD1-CE3 4.49Å; L461-W475 HydrophobicContact CD1-CH2 3.59Å; L461-W475 HydrophobicContact CD1-CZ2 4.43Å; L461-W475 HydrophobicContact CD1-CZ3 3.6Å; L461-W475 HydrophobicContact CD2-CD2 4.45Å; L461-W475 HydrophobicContact CD2-CE3 3.66Å; L461-W475 HydrophobicContact CD2-CH2 4.28Å; L461-W475 HydrophobicContact CD2-CZ3 3.54Å; L461-W475 HydrophobicContact CG-CE3 4.23Å; L461-W475 HydrophobicContact CG-CH2 4.03Å; L461-W475 HydrophobicContact CG-CZ3 3.8Å; N465-W475 WeakPolarHBondContact ND2-CB 3.19Å; N465-W475 WeakPolarHBondContact OD1-CB 3.37Å; T473-W475 PolarHBondContact O-N 2.93Å; T473-W475 VanDerWaalsContact O-N 3.1Å; W475-T477 PolarHBondContact O-N 2.74Å; W475-R480 VanDerWaalsContact CD1-NH2 3.25Å; W475-R480 VanDerWaalsContact NE1-CZ 3.32Å; W475-R480 PolarHBondContact O-NH1 2.98Å; W475-R480 PolarHBondContact O-NH2 2.88Å
476	G	60.4	Low	66.1	Low	27 Å²	27	69.2 Å²	69.2	28%	0.278	40%	0.404	S	S	.	.			trans	-44.6	128	-171.3	0	0	0	0	0	115	Y326 D474 A478 R480	Y326-G476 WeakPolarHBondContact CD1-O 3.34Å; D474-G476 VanDerWaalsContact C-N 3.34Å; D474-G476 PolarHBondContact O-N 2.76Å; D474-G476 VanDerWaalsContact O-N 3.15Å; G476-A478 PolarHBondContact O-N 2.7Å; G476-R480 VanDerWaalsContact O-CZ 3.25Å; G476-R480 PolarHBondContact O-NH1 2.85Å; G476-R480 PolarHBondContact O-NH2 2.73Å; G476-R480 VanDerWaalsContact O-NH2 3.08Å
477	T	65.1	Low	67.1	Low	113 Å²	113	67.6 Å²	67.6	69%	0.693	40%	0.403	S	S	*	.			trans	-73.9	-2	-179.3	51	0	0	0	0	114.3	W475 G479 R480	W475-T477 PolarHBondContact O-N 2.74Å; T477-G479 PolarHBondContact O-N 3.23Å; T477-R480 PolarHBondContact O-N 3.13Å; T477-R480 VanDerWaalsContact O-N 3.16Å
478	A	64.2	Low	67.9	Low	70 Å²	70	67 Å²	67	58%	0.579	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	113.8	-174.5	0	0	0	0	0	112.7	T324 Y326 G476	T324-A478 PolarHBondContact OG1-O 2.64Å; Y326-A478 WeakPolarHBondContact CE1-O 3.39Å; G476-A478 PolarHBondContact O-N 2.7Å
479	G	65.1	Low	68.9	Low	21 Å²	21	62 Å²	62	22%	0.216	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	18.4	179.1	0	0	0	0	0	115.5	T322 T324 Y326 T477	T322-G479 WeakPolarHBondContact CG2-O 3.08Å; T322-G479 PolarHBondContact N-O 2.73Å; T322-G479 WeakPolarHBondContact OG1-CA 3.28Å; T322-G479 PolarHBondContact OG1-O 3.1Å; T322-G479 VanDerWaalsContact OG1-O 3.12Å; T324-G479 WeakPolarHBondContact OG1-CA 3.18Å; Y326-G479 PolarHBondContact OH-O 3.41Å; T477-G479 PolarHBondContact O-N 3.23Å
480	R	73.4	Confident	70	Confident	46 Å²	46	62 Å²	62	17%	0.174	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	138.9	156.6	-58.5	-172.9	-177	121.2	13.2	109.7	W319 Y326 W475 G476 T477	W319-R480 HydrophobicContact CB-CB 4.31Å; W319-R480 HydrophobicContact CG-CB 4.32Å; W319-R480 HydrophobicContact CG-CG 4.22Å; Y326-R480 HydrophobicContact CE1-CG 3.5Å; Y326-R480 WeakPolarHBondContact OH-CG 3.36Å; W475-R480 VanDerWaalsContact CD1-NH2 3.25Å; W475-R480 VanDerWaalsContact NE1-CZ 3.32Å; W475-R480 PolarHBondContact O-NH1 2.98Å; W475-R480 PolarHBondContact O-NH2 2.88Å; G476-R480 VanDerWaalsContact O-CZ 3.25Å; G476-R480 PolarHBondContact O-NH1 2.85Å; G476-R480 PolarHBondContact O-NH2 2.73Å; G476-R480 VanDerWaalsContact O-NH2 3.08Å; T477-R480 PolarHBondContact O-N 3.13Å; T477-R480 VanDerWaalsContact O-N 3.16Å
481	Q	77.4	Confident	71.5	Confident	111 Å²	111	57.7 Å²	57.7	52%	0.519	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.8	164.4	-72.2	179.7	-4.8	0	0	108.8	W319 S320 T322 G483	W319-Q481 CarbonylContact C-O 3.54Å; W319-Q481 VanDerWaalsContact CA-O 3.29Å; W319-Q481 WeakPolarHBondContact CA-O 3.22Å; W319-Q481 WeakPolarHBondContact CB-O 3.4Å; S320-Q481 PolarHBondContact N-O 3.48Å; S320-Q481 PolarHBondContact O-N 2.86Å; S320-Q481 PolarHBondContact OG-O 2.87Å; T322-Q481 HydrophobicContact CG2-CG 3.64Å; Q481-G483 PolarHBondContact O-N 3.03Å
482	S	78.2	Confident	72.4	Confident	123 Å²	123	62 Å²	62	86%	0.86	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	131.4	-178.4	-175.8	0	0	0	0	110.5
483	G	81.5	Confident	73.1	Confident	31 Å²	31	62.7 Å²	62.7	32%	0.32	40%	0.4	S	S	.	.	S	Bend	trans	85.1	167.3	178.3	0	0	0	0	0	115	G318 S320 Q481	G318-G483 CarbonylContact O-C 3.59Å; G318-G483 WeakPolarHBondContact O-CA 3.39Å; G318-G483 PolarHBondContact O-N 2.86Å; G318-G483 VanDerWaalsContact O-N 3.09Å; S320-G483 PolarHBondContact OG-O 3.08Å; Q481-G483 PolarHBondContact O-N 3.03Å
484	C	85.2	Confident	73.4	Confident	24 Å²	24	65 Å²	65	16%	0.162	42%	0.416	C	S	.	.			trans	-132.4	43.1	-163.9	-87.7	0	0	0	0	113.5	W389 C440 S486 W508	W389-C484 HydrophobicContact CZ2-CB 4.39Å; C440-C484 HydrophobicContact CB-CB 4.07Å; C440-C484 WeakPolarHBondContact CB-SG 3.28Å; C440-C484 WeakPolarHBondContact SG-CA 3.36Å; C440-C484 WeakPolarHBondContact SG-CB 3.23Å; C440-C484 CovalentContact SG-SG 2.02Å; C440-C484 PolarHBondContact SG-SG 3.34Å; C484-S486 PolarHBondContact O-N 3.32Å; C484-W508 PolarHBondContact O-NE1 3.45Å
485	S	82.7	Confident	73.7	Confident	80 Å²	80	71 Å²	71	56%	0.559	44%	0.437	S	S	*	.			trans	-47.1	129.5	-175.2	176.4	0	0	0	0	113.5	G487 R509	S485-G487 PolarHBondContact O-N 2.9Å; S485-G487 VanDerWaalsContact O-N 3.13Å; S485-G487 PolarHBondContact OG-N 2.96Å; S485-R509 VanDerWaalsContact O-CZ 3.26Å; S485-R509 PolarHBondContact O-NE 2.82Å; S485-R509 PolarHBondContact O-NH2 2.86Å
486	S	79.3	Confident	74.3	Confident	50 Å²	50	75.6 Å²	75.6	35%	0.35	47%	0.471	S	S	.	.			trans	-63.4	-11.6	177.7	57.4	0	0	0	0	114.7	C484 R509	C484-S486 PolarHBondContact O-N 3.32Å; S486-R509 WeakPolarHBondContact O-CA 3.48Å; S486-R509 WeakPolarHBondContact O-CG 3.46Å; S486-R509 PolarHBondContact O-N 3.14Å
487	G	77.8	Confident	75.3	Confident	33 Å²	33	76.5 Å²	76.5	34%	0.34	47%	0.469	S	S	.	.			trans	81.5	-168.1	-174.3	0	0	0	0	0	113.1	S485	S485-G487 PolarHBondContact O-N 2.9Å; S485-G487 VanDerWaalsContact O-N 3.13Å; S485-G487 PolarHBondContact OG-N 2.96Å
488	P	75.8	Confident	76.1	Confident	92 Å²	92	72.5 Å²	72.5	60%	0.597	45%	0.446	S	S	*	.	S	Bend	trans	-69.4	147.6	176.6	30.9	-35	0	0	0	111.2	F490	P488-F490 WeakPolarHBondContact O-CD2 3.34Å; P488-F490 WeakPolarHBondContact O-CE2 3.29Å; P488-F490 PolarHBondContact O-N 2.87Å
489	G	77.4	Confident	77	Confident	27 Å²	27	71.4 Å²	71.4	28%	0.278	43%	0.43	S	S	.	.			trans	-64.6	122.9	171.3	0	0	0	0	0	111.4	N493 E506	G489-N493 PolarHBondContact O-ND2 3.31Å; G489-E506 VanDerWaalsContact C-OE1 3.23Å; G489-E506 WeakPolarHBondContact CA-OE1 3.36Å
490	F	82.2	Confident	77.8	Confident	69 Å²	69	78.4 Å²	78.4	30%	0.303	46%	0.461	S	S	.	.	H	α-helix	trans	-77.3	-46.9	-178	-70.4	-102.5	0	0	0	110.6	P488 N492 N493 S494 L497 E506 R509 G510 Y511	P488-F490 WeakPolarHBondContact O-CD2 3.34Å; P488-F490 WeakPolarHBondContact O-CE2 3.29Å; P488-F490 PolarHBondContact O-N 2.87Å; F490-N492 VanDerWaalsContact C-N 3.29Å; F490-N492 PolarHBondContact O-N 2.86Å; F490-N493 PolarHBondContact O-N 3.08Å; F490-S494 PolarHBondContact O-N 2.89Å; F490-L497 HydrophobicContact CB-CD1 3.98Å; F490-L497 WeakPolarHBondContact O-CD1 3.49Å; F490-E506 PolarHBondContact N-OE1 2.9Å; F490-E506 PolarHBondContact N-OE2 3.23Å; F490-R509 VanDerWaalsContact CE2-C 3.46Å; F490-G510 WeakPolarHBondContact CD2-O 3.4Å; F490-G510 VanDerWaalsContact CE2-N 3.25Å; F490-Y511 HydrophobicContact CB-CD1 4.02Å; F490-Y511 HydrophobicContact CB-CG 4.27Å; F490-Y511 HydrophobicContact CD1-CD1 4.04Å; F490-Y511 HydrophobicContact CG-CD1 4.23Å
491	C	84.4	Confident	78.3	Confident	32 Å²	32	79.2 Å²	79.2	22%	0.216	47%	0.471	C	S	.	.	H	α-helix	trans	-64.3	-33	-178.9	-62.7	0	0	0	0	112.9	C504 I505 E506	C491-C504 WeakPolarHBondContact CA-SG 3.23Å; C491-C504 HydrophobicContact CB-CB 3.69Å; C491-C504 WeakPolarHBondContact CB-SG 3.29Å; C491-C504 WeakPolarHBondContact SG-CB 3.37Å; C491-C504 CovalentContact SG-SG 2.04Å; C491-C504 PolarHBondContact SG-SG 2.7Å; C491-I505 PolarHBondContact SG-N 2.65Å; C491-E506 HydrophobicContact CB-CG 4.04Å; C491-E506 WeakPolarHBondContact CB-OE1 3.5Å; C491-E506 VanDerWaalsContact N-CD 3.3Å; C491-E506 PolarHBondContact N-OE1 3.45Å; C491-E506 VanDerWaalsContact N-OE1 3.1Å; C491-E506 PolarHBondContact N-OE2 3.07Å
492	N	78.8	Confident	78.7	Confident	135 Å²	135	74.7 Å²	74.7	72%	0.722	45%	0.452	S	S	*	.	H	α-helix	trans	-69.9	-33.2	176.9	-73.5	-68.7	0	0	0	113.5	F490 E506	F490-N492 VanDerWaalsContact C-N 3.29Å; F490-N492 PolarHBondContact O-N 2.86Å; N492-E506 PolarHBondContact N-OE1 2.96Å; N492-E506 PolarHBondContact ND2-OE1 2.71Å
493	N	67.9	Low	79	Confident	119 Å²	119	71.6 Å²	71.6	64%	0.636	43%	0.428	S	S	*	.	H	α-helix	trans	-91.7	-21.4	-170.3	-75	-42	0	0	0	114.1	G489 F490	G489-N493 PolarHBondContact O-ND2 3.31Å; F490-N493 PolarHBondContact O-N 3.08Å
494	S	65.3	Low	79.3	Confident	51 Å²	51	72 Å²	72	36%	0.357	43%	0.425	S	S	.	.			trans	-133.7	92	-165.9	-66.4	0	0	0	0	112.6	F490 S496 L497	F490-S494 PolarHBondContact O-N 2.89Å; S494-S496 PolarHBondContact O-N 2.98Å; S494-L497 VanDerWaalsContact CB-CG 3.46Å; S494-L497 PolarHBondContact O-N 2.84Å
495	K	63.8	Low	79.2	Confident	225 Å²	225	72.3 Å²	72.3	98%	0.978	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	6.2	-179.3	-97.8	-174.9	176.2	179.5	0	116.8
496	S	74.3	Confident	79.2	Confident	108 Å²	108	70.3 Å²	70.3	76%	0.755	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	12.4	-173.5	63.1	0	0	0	0	114.2	S494 C498	S494-S496 PolarHBondContact O-N 2.98Å; S496-C498 VanDerWaalsContact C-N 3.3Å; S496-C498 PolarHBondContact O-N 2.95Å
497	L	81.4	Confident	79.4	Confident	46 Å²	46	70 Å²	70	24%	0.241	40%	0.4	C	S	.	.	S	Bend	trans	-70.9	-24.4	179.2	-68.2	178.7	0	0	0	114	F490 S494 Y511 C513	F490-L497 HydrophobicContact CB-CD1 3.98Å; F490-L497 WeakPolarHBondContact O-CD1 3.49Å; S494-L497 VanDerWaalsContact CB-CG 3.46Å; S494-L497 PolarHBondContact O-N 2.84Å; L497-Y511 HydrophobicContact CB-CD2 4.07Å; L497-Y511 HydrophobicContact CB-CE2 3.66Å; L497-Y511 HydrophobicContact CD1-CD1 3.93Å; L497-Y511 HydrophobicContact CD1-CD2 4.13Å; L497-Y511 HydrophobicContact CD1-CE1 4.06Å; L497-Y511 HydrophobicContact CD1-CE2 4.26Å; L497-Y511 HydrophobicContact CD1-CG 3.98Å; L497-Y511 HydrophobicContact CD2-CE1 3.9Å; L497-Y511 HydrophobicContact CD2-CE2 4.36Å; L497-Y511 HydrophobicContact CG-CE1 4.4Å; L497-Y511 HydrophobicContact CG-CE2 4.29Å; L497-C513 PolarHBondContact O-SG 2.75Å
498	C	82.9	Confident	79.8	Confident	30 Å²	30	68.9 Å²	68.9	20%	0.203	39%	0.385	C	S	.	.	S	Bend	trans	-132.4	148.7	-173.7	-62.3	0	0	0	0	109.9	S496 S502 C504 C513	S496-C498 VanDerWaalsContact C-N 3.3Å; S496-C498 PolarHBondContact O-N 2.95Å; C498-S502 WeakPolarHBondContact CB-OG 3.42Å; C498-C504 HydrophobicContact CB-CB 4.39Å; C498-C504 VanDerWaalsContact SG-CA 3.59Å; C498-C504 WeakPolarHBondContact SG-CB 3.48Å; C498-C513 WeakPolarHBondContact CA-SG 3.49Å; C498-C513 HydrophobicContact CB-CB 3.71Å; C498-C513 WeakPolarHBondContact CB-SG 3.29Å; C498-C513 WeakPolarHBondContact SG-CB 3.47Å; C498-C513 CovalentContact SG-SG 2.03Å; C498-C513 PolarHBondContact SG-SG 2.94Å
499	D	83.4	Confident	80.3	Confident	47 Å²	47	67.4 Å²	67.4	25%	0.251	37%	0.368	S	S	.	.			trans	-66.4	147.9	170.9	-178.7	91.3	0	0	0	110.1	T501 S502 K526	D499-T501 PolarHBondContact O-N 2.69Å; D499-T501 WeakPolarHBondContact OD2-CB 3.36Å; D499-T501 WeakPolarHBondContact OD2-CG2 3.3Å; D499-T501 PolarHBondContact OD2-N 2.91Å; D499-T501 PolarHBondContact OD2-OG1 3.05Å; D499-S502 PolarHBondContact N-OG 3.47Å; D499-S502 PolarHBondContact O-N 2.9Å; D499-S502 PolarHBondContact O-OG 2.92Å; D499-K526 IonicContact OD1-NZ 2.68Å; D499-K526 PolarHBondContact OD1-NZ 2.84Å
500	I	81.2	Confident	80.7	Confident	167 Å²	167	66.6 Å²	66.6	86%	0.856	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-19	-177.9	-165.2	167.5	0	0	0	114.3	S502	I500-S502 VanDerWaalsContact C-N 3.3Å
501	T	82.9	Confident	80.9	Confident	63 Å²	63	67.6 Å²	67.6	39%	0.387	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.6	173.4	59.5	0	0	0	0	114.1	D499 C527	D499-T501 PolarHBondContact O-N 2.69Å; D499-T501 WeakPolarHBondContact OD2-CB 3.36Å; D499-T501 WeakPolarHBondContact OD2-CG2 3.3Å; D499-T501 PolarHBondContact OD2-N 2.91Å; D499-T501 PolarHBondContact OD2-OG1 3.05Å; T501-C527 WeakPolarHBondContact O-CB 3.29Å; T501-C527 PolarHBondContact O-SG 2.87Å; T501-C527 VanDerWaalsContact O-SG 3.38Å; T501-C527 PolarHBondContact OG1-N 3.04Å
502	S	85.8	Confident	80.9	Confident	16 Å²	16	67.9 Å²	67.9	11%	0.112	36%	0.358	C	S	.	.	S	Bend	trans	-123	154.6	-173.7	67	0	0	0	0	112.7	C498 D499 I500 C527	C498-S502 WeakPolarHBondContact CB-OG 3.42Å; D499-S502 PolarHBondContact N-OG 3.47Å; D499-S502 PolarHBondContact O-N 2.9Å; D499-S502 PolarHBondContact O-OG 2.92Å; I500-S502 VanDerWaalsContact C-N 3.3Å; S502-C527 VanDerWaalsContact CB-SG 3.57Å
503	T	86.1	Confident	81.2	Confident	58 Å²	58	62.3 Å²	62.3	36%	0.356	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.3	179.1	-60.8	0	0	0	0	110.3	I505 C513 D514 L516	T503-I505 HydrophobicContact CG2-CG1 4.47Å; T503-C513 CarbonylContact O-C 3.43Å; T503-C513 WeakPolarHBondContact O-CA 3.42Å; T503-D514 PolarHBondContact N-O 3.42Å; T503-D514 PolarHBondContact O-N 3.29Å; T503-L516 WeakPolarHBondContact OG1-CD1 3.29Å
504	C	86.7	Confident	82	Confident	39 Å²	39	58.6 Å²	58.6	26%	0.264	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.9	172.6	-166.8	0	0	0	0	110.4	C491 C498 R512	C491-C504 WeakPolarHBondContact CA-SG 3.23Å; C491-C504 HydrophobicContact CB-CB 3.69Å; C491-C504 WeakPolarHBondContact CB-SG 3.29Å; C491-C504 WeakPolarHBondContact SG-CB 3.37Å; C491-C504 CovalentContact SG-SG 2.04Å; C491-C504 PolarHBondContact SG-SG 2.7Å; C498-C504 HydrophobicContact CB-CB 4.39Å; C498-C504 VanDerWaalsContact SG-CA 3.59Å; C498-C504 WeakPolarHBondContact SG-CB 3.48Å; C504-R512 WeakPolarHBondContact CA-O 3.24Å
505	I	83.9	Confident	83.1	Confident	31 Å²	31	57.9 Å²	57.9	16%	0.159	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.3	179.8	-54.2	-162.1	0	0	0	108.6	S30 C491 T503 Y511 R512 D514	S30-I505 WeakPolarHBondContact OG-CD1 3.33Å; S30-I505 WeakPolarHBondContact OG-CG2 3.24Å; C491-I505 PolarHBondContact SG-N 2.65Å; T503-I505 HydrophobicContact CG2-CG1 4.47Å; I505-Y511 VanDerWaalsContact O-CA 3.31Å; I505-Y511 WeakPolarHBondContact O-CA 3.14Å; I505-R512 HydrophobicContact CB-CG 4.2Å; I505-R512 PolarHBondContact N-O 3.11Å; I505-R512 PolarHBondContact O-N 2.87Å; I505-D514 HydrophobicContact CD1-CB 3.87Å; I505-D514 WeakPolarHBondContact CD1-OD2 3.2Å
506	E	82.9	Confident	84	Confident	39 Å²	39	51.6 Å²	51.6	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.1	176.9	-60.7	-75.1	-159.6	0	0	109.9	G489 F490 C491 N492	G489-E506 VanDerWaalsContact C-OE1 3.23Å; G489-E506 WeakPolarHBondContact CA-OE1 3.36Å; F490-E506 PolarHBondContact N-OE1 2.9Å; F490-E506 PolarHBondContact N-OE2 3.23Å; C491-E506 HydrophobicContact CB-CG 4.04Å; C491-E506 WeakPolarHBondContact CB-OE1 3.5Å; C491-E506 VanDerWaalsContact N-CD 3.3Å; C491-E506 PolarHBondContact N-OE1 3.45Å; C491-E506 VanDerWaalsContact N-OE1 3.1Å; C491-E506 PolarHBondContact N-OE2 3.07Å; N492-E506 PolarHBondContact N-OE1 2.96Å; N492-E506 PolarHBondContact ND2-OE1 2.71Å
507	E	83	Confident	84.1	Confident	42 Å²	42	53.6 Å²	53.6	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	171	174.4	-60	-170	154.1	0	0	110.3	R345 R509 G510 R512	R345-E507 IonicContact CZ-OE2 2.9Å; R345-E507 IonicContact NH1-OE2 3.32Å; R345-E507 PolarHBondContact NH1-OE2 3.41Å; R345-E507 IonicContact NH2-OE2 2.86Å; R345-E507 PolarHBondContact NH2-OE2 2.76Å; E507-R509 PolarHBondContact O-N 2.85Å; E507-R509 VanDerWaalsContact O-N 3.07Å; E507-G510 CarbonylContact C-O 3.49Å; E507-G510 PolarHBondContact N-O 3.01Å; E507-G510 PolarHBondContact O-N 3.11Å; E507-R512 HydrophobicContact CG-CG 4.46Å; E507-R512 WeakPolarHBondContact OE1-CD 3.49Å; E507-R512 WeakPolarHBondContact OE1-CG 3.42Å; E507-R512 IonicContact OE1-CZ 3.95Å; E507-R512 IonicContact OE1-NE 3Å; E507-R512 IonicContact OE1-NH1 3.34Å; E507-R512 PolarHBondContact OE1-NH1 2.88Å
508	W	86.2	Confident	83.8	Confident	10 Å²	10	57.9 Å²	57.9	4%	0.038	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	116.4	175.1	-173.1	89.6	0	0	0	110.4	R343 R345 G387 C440 C484 G510	R343-W508 HydrophobicContact CG-CD2 4Å; R343-W508 HydrophobicContact CG-CE3 3.99Å; R343-W508 HydrophobicContact CG-CH2 4.26Å; R343-W508 HydrophobicContact CG-CZ2 4.29Å; R343-W508 HydrophobicContact CG-CZ3 4.13Å; R343-W508 VanDerWaalsContact CZ-CG 3.42Å; R343-W508 VanDerWaalsContact NH1-CD1 3.31Å; R345-W508 HydrophobicContact CG-CE3 4.33Å; R345-W508 HydrophobicContact CG-CZ3 4.28Å; R345-W508 PolarHBondContact NE-O 3.09Å; R345-W508 PolarHBondContact NH2-O 3.02Å; G387-W508 WeakPolarHBondContact O-CB 3.49Å; C440-W508 HydrophobicContact CB-CH2 4.49Å; C440-W508 HydrophobicContact CB-CZ2 4.13Å; C484-W508 PolarHBondContact O-NE1 3.45Å; W508-G510 PolarHBondContact O-N 3.38Å; W508-G510 VanDerWaalsContact O-N 3.11Å
509	R	85.9	Confident	83.9	Confident	62 Å²	62	58.2 Å²	58.2	23%	0.234	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	33.8	-179.4	-58.9	-177.7	-179.5	-151	-17.3	113.5	R345 D438 S485 S486 F490 E507	R345-R509 HydrophobicContact CG-CB 4.25Å; D438-R509 VanDerWaalsContact CG-NH1 3.29Å; D438-R509 PolarHBondContact O-NH1 3.34Å; D438-R509 IonicContact OD1-CZ 2.74Å; D438-R509 IonicContact OD1-NH1 3.77Å; D438-R509 PolarHBondContact OD1-NH1 3.34Å; D438-R509 IonicContact OD1-NH2 3.34Å; S485-R509 VanDerWaalsContact O-CZ 3.26Å; S485-R509 PolarHBondContact O-NE 2.82Å; S485-R509 PolarHBondContact O-NH2 2.86Å; S486-R509 WeakPolarHBondContact O-CA 3.48Å; S486-R509 WeakPolarHBondContact O-CG 3.46Å; S486-R509 PolarHBondContact O-N 3.14Å; F490-R509 VanDerWaalsContact CE2-C 3.46Å; E507-R509 PolarHBondContact O-N 2.85Å; E507-R509 VanDerWaalsContact O-N 3.07Å
510	G	86.5	Confident	83.9	Confident	9 Å²	9	58.6 Å²	58.6	9%	0.093	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	-167.7	179	0	0	0	0	0	112.6	F490 E507 W508	F490-G510 WeakPolarHBondContact CD2-O 3.4Å; F490-G510 VanDerWaalsContact CE2-N 3.25Å; E507-G510 CarbonylContact C-O 3.49Å; E507-G510 PolarHBondContact N-O 3.01Å; E507-G510 PolarHBondContact O-N 3.11Å; W508-G510 PolarHBondContact O-N 3.38Å; W508-G510 VanDerWaalsContact O-N 3.11Å
511	Y	85.3	Confident	84.1	Confident	90 Å²	90	55.4 Å²	55.4	35%	0.353	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163.5	177.6	68.9	-80.2	0	0	0	109.9	F490 L497 I505	F490-Y511 HydrophobicContact CB-CD1 4.02Å; F490-Y511 HydrophobicContact CB-CG 4.27Å; F490-Y511 HydrophobicContact CD1-CD1 4.04Å; F490-Y511 HydrophobicContact CG-CD1 4.23Å; L497-Y511 HydrophobicContact CB-CD2 4.07Å; L497-Y511 HydrophobicContact CB-CE2 3.66Å; L497-Y511 HydrophobicContact CD1-CD1 3.93Å; L497-Y511 HydrophobicContact CD1-CD2 4.13Å; L497-Y511 HydrophobicContact CD1-CE1 4.06Å; L497-Y511 HydrophobicContact CD1-CE2 4.26Å; L497-Y511 HydrophobicContact CD1-CG 3.98Å; L497-Y511 HydrophobicContact CD2-CE1 3.9Å; L497-Y511 HydrophobicContact CD2-CE2 4.36Å; L497-Y511 HydrophobicContact CG-CE1 4.4Å; L497-Y511 HydrophobicContact CG-CE2 4.29Å; I505-Y511 VanDerWaalsContact O-CA 3.31Å; I505-Y511 WeakPolarHBondContact O-CA 3.14Å
512	R	84.2	Confident	84.1	Confident	38 Å²	38	54 Å²	54	14%	0.143	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	172.7	161.4	70.4	174	-168.7	-89	0.4	111.8	S30 P31 C504 I505 E507 D514	S30-R512 PolarHBondContact O-NH1 2.96Å; S30-R512 PolarHBondContact O-NH2 2.73Å; S30-R512 PolarHBondContact OG-NH2 3.29Å; P31-R512 PolarHBondContact O-NH2 3.29Å; C504-R512 WeakPolarHBondContact CA-O 3.24Å; I505-R512 HydrophobicContact CB-CG 4.2Å; I505-R512 PolarHBondContact N-O 3.11Å; I505-R512 PolarHBondContact O-N 2.87Å; E507-R512 HydrophobicContact CG-CG 4.46Å; E507-R512 WeakPolarHBondContact OE1-CD 3.49Å; E507-R512 WeakPolarHBondContact OE1-CG 3.42Å; E507-R512 IonicContact OE1-CZ 3.95Å; E507-R512 IonicContact OE1-NE 3Å; E507-R512 IonicContact OE1-NH1 3.34Å; E507-R512 PolarHBondContact OE1-NH1 2.88Å; R512-D514 VanDerWaalsContact CD-OD1 3.29Å; R512-D514 WeakPolarHBondContact CD-OD1 3.1Å; R512-D514 IonicContact CZ-OD2 3.81Å; R512-D514 VanDerWaalsContact NE-CG 3.28Å; R512-D514 IonicContact NE-OD1 2.73Å; R512-D514 PolarHBondContact NE-OD1 3.07Å; R512-D514 IonicContact NE-OD2 2.78Å; R512-D514 PolarHBondContact NE-OD2 2.9Å; R512-D514 IonicContact NH2-OD2 3.67Å; R512-D514 PolarHBondContact NH2-OD2 2.74Å
513	C	86.7	Confident	83.9	Confident	18 Å²	18	59.9 Å²	59.9	12%	0.122	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	110.5	178.4	-49.6	0	0	0	0	108.7	L497 C498 T503 K521	L497-C513 PolarHBondContact O-SG 2.75Å; C498-C513 WeakPolarHBondContact CA-SG 3.49Å; C498-C513 HydrophobicContact CB-CB 3.71Å; C498-C513 WeakPolarHBondContact CB-SG 3.29Å; C498-C513 WeakPolarHBondContact SG-CB 3.47Å; C498-C513 CovalentContact SG-SG 2.03Å; C498-C513 PolarHBondContact SG-SG 2.94Å; T503-C513 CarbonylContact O-C 3.43Å; T503-C513 WeakPolarHBondContact O-CA 3.42Å; C513-K521 WeakPolarHBondContact O-CE 3.48Å; C513-K521 PolarHBondContact O-NZ 2.96Å
514	D	84.8	Confident	83.7	Confident	42 Å²	42	65.4 Å²	65.4	23%	0.225	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	150.4	-177.5	-73.3	-2.8	0	0	0	111.5	T503 I505 R512	T503-D514 PolarHBondContact N-O 3.42Å; T503-D514 PolarHBondContact O-N 3.29Å; I505-D514 HydrophobicContact CD1-CB 3.87Å; I505-D514 WeakPolarHBondContact CD1-OD2 3.2Å; R512-D514 VanDerWaalsContact CD-OD1 3.29Å; R512-D514 WeakPolarHBondContact CD-OD1 3.1Å; R512-D514 IonicContact CZ-OD2 3.81Å; R512-D514 VanDerWaalsContact NE-CG 3.28Å; R512-D514 IonicContact NE-OD1 2.73Å; R512-D514 PolarHBondContact NE-OD1 3.07Å; R512-D514 IonicContact NE-OD2 2.78Å; R512-D514 PolarHBondContact NE-OD2 2.9Å; R512-D514 IonicContact NH2-OD2 3.67Å; R512-D514 PolarHBondContact NH2-OD2 2.74Å
515	C	87.1	Confident	83.2	Confident	35 Å²	35	65.1 Å²	65.1	24%	0.236	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-92.4	137.4	177	-67.5	0	0	0	0	110.7	T519 K521 C527	C515-T519 WeakPolarHBondContact CB-O 3.31Å; C515-T519 WeakPolarHBondContact CB-OG1 3.44Å; C515-K521 WeakPolarHBondContact SG-CG 3.04Å; C515-C527 WeakPolarHBondContact CA-SG 3.02Å; C515-C527 HydrophobicContact CB-CB 3.76Å; C515-C527 WeakPolarHBondContact CB-SG 3.07Å; C515-C527 WeakPolarHBondContact SG-CB 3.43Å; C515-C527 CovalentContact SG-SG 2.04Å; C515-C527 PolarHBondContact SG-SG 2.91Å
516	L	82.4	Confident	83.2	Confident	94 Å²	94	68 Å²	68	49%	0.492	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-99.4	165.4	-179	-64.8	-179.1	0	0	0	112.1	T503 N518 T519	T503-L516 WeakPolarHBondContact OG1-CD1 3.29Å; L516-N518 PolarHBondContact O-N 2.86Å; L516-T519 WeakPolarHBondContact O-CB 3.19Å; L516-T519 PolarHBondContact O-N 3.33Å; L516-T519 VanDerWaalsContact O-N 3.12Å; L516-T519 PolarHBondContact O-OG1 3.19Å
517	N	76.9	Confident	83.4	Confident	150 Å²	150	66.9 Å²	66.9	80%	0.802	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	49.7	164	-55.6	-19.5	0	0	0	114.7	T519	N517-T519 PolarHBondContact O-N 3.46Å
518	N	74.4	Confident	83.6	Confident	136 Å²	136	66.6 Å²	66.6	73%	0.727	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	25.5	179.1	-56.3	-12.6	0	0	0	114.8	L516 S530	L516-N518 PolarHBondContact O-N 2.86Å; N518-S530 WeakPolarHBondContact O-CB 3.36Å; N518-S530 PolarHBondContact O-N 2.99Å; N518-S530 PolarHBondContact O-OG 3.32Å
519	T	84.9	Confident	83.6	Confident	36 Å²	36	68.4 Å²	68.4	22%	0.221	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	149.5	166.4	59.6	0	0	0	0	111.1	C515 L516 N517 C527 V528	C515-T519 WeakPolarHBondContact CB-O 3.31Å; C515-T519 WeakPolarHBondContact CB-OG1 3.44Å; L516-T519 WeakPolarHBondContact O-CB 3.19Å; L516-T519 PolarHBondContact O-N 3.33Å; L516-T519 VanDerWaalsContact O-N 3.12Å; L516-T519 PolarHBondContact O-OG1 3.19Å; N517-T519 PolarHBondContact O-N 3.46Å; T519-C527 WeakPolarHBondContact OG1-CB 3.49Å; T519-V528 CarbonylContact C-O 3.46Å; T519-V528 WeakPolarHBondContact CA-O 3.37Å; T519-V528 WeakPolarHBondContact CB-O 3.25Å
520	V	84.4	Confident	83.5	Confident	55 Å²	55	67.9 Å²	67.9	33%	0.333	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	157.2	176.9	-61.3	0	0	0	0	109.1	C527 V528 Y533	V520-C527 CarbonylContact O-C 3.45Å; V520-C527 WeakPolarHBondContact O-CA 3.34Å; V520-V528 HydrophobicContact CG2-CG2 4.2Å; V520-V528 PolarHBondContact N-O 3.01Å; V520-V528 PolarHBondContact O-N 3.24Å; V520-Y533 HydrophobicContact CG2-CD1 4.12Å; V520-Y533 HydrophobicContact CG2-CG 3.95Å
521	K	84.7	Confident	83.4	Confident	100 Å²	100	70.3 Å²	70.3	44%	0.435	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.1	174.1	-68.1	-178.6	-176.8	165.5	0	110.3	C513 C515 K526	C513-K521 WeakPolarHBondContact O-CE 3.48Å; C513-K521 PolarHBondContact O-NZ 2.96Å; C515-K521 WeakPolarHBondContact SG-CG 3.04Å; K521-K526 CarbonylContact C-O 3.56Å; K521-K526 WeakPolarHBondContact CA-O 3.44Å
522	D	83.7	Confident	83.5	Confident	34 Å²	34	66.6 Å²	66.6	18%	0.182	36%	0.357	C	S	.	.			trans	-73.5	175.2	162	79.2	-12.5	0	0	0	111.1	K524 G525 K526 V528 Y533	D522-K524 PolarHBondContact O-N 3.1Å; D522-K524 VanDerWaalsContact OD1-C 3.25Å; D522-K524 VanDerWaalsContact OD1-CA 3.32Å; D522-K524 WeakPolarHBondContact OD1-CA 3.1Å; D522-K524 WeakPolarHBondContact OD1-CB 3.34Å; D522-K524 PolarHBondContact OD1-N 2.87Å; D522-G525 PolarHBondContact O-N 2.9Å; D522-G525 PolarHBondContact OD1-N 2.86Å; D522-K526 PolarHBondContact N-O 2.71Å; D522-K526 PolarHBondContact OD1-N 3.03Å; D522-V528 HydrophobicContact CB-CG1 4.09Å; D522-V528 HydrophobicContact CB-CG2 4.05Å; D522-Y533 HydrophobicContact CB-CD2 4.41Å
523	D	82.1	Confident	83.6	Confident	139 Å²	139	69.7 Å²	69.7	74%	0.743	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-3.2	179.9	-42.3	-41.3	0	0	0	113.3	Y533	D523-Y533 WeakPolarHBondContact OD1-CE2 3.43Å; D523-Y533 PolarHBondContact OD1-OH 2.89Å
524	K	80.1	Confident	83.5	Confident	175 Å²	175	74 Å²	74	76%	0.761	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	6.2	175.9	-58.3	166.6	-174.9	165.5	0	111.8	D522	D522-K524 PolarHBondContact O-N 3.1Å; D522-K524 VanDerWaalsContact OD1-C 3.25Å; D522-K524 VanDerWaalsContact OD1-CA 3.32Å; D522-K524 WeakPolarHBondContact OD1-CA 3.1Å; D522-K524 WeakPolarHBondContact OD1-CB 3.34Å; D522-K524 PolarHBondContact OD1-N 2.87Å
525	G	76.9	Confident	83.6	Confident	32 Å²	32	76.3 Å²	76.3	33%	0.33	41%	0.41	S	S	.	.	S	Bend	trans	79.4	7.6	177.8	0	0	0	0	0	115.5	D522	D522-G525 PolarHBondContact O-N 2.9Å; D522-G525 PolarHBondContact OD1-N 2.86Å
526	K	84.9	Confident	83.6	Confident	93 Å²	93	76.3 Å²	76.3	40%	0.404	41%	0.41	S	S	.	.			trans	-92.2	141.4	-178.6	-65.2	179.9	177.7	-80	0	111.2	D499 K521 D522 V528	D499-K526 IonicContact OD1-NZ 2.68Å; D499-K526 PolarHBondContact OD1-NZ 2.84Å; K521-K526 CarbonylContact C-O 3.56Å; K521-K526 WeakPolarHBondContact CA-O 3.44Å; D522-K526 PolarHBondContact N-O 2.71Å; D522-K526 PolarHBondContact OD1-N 3.03Å; K526-V528 PolarHBondContact O-N 3.1Å
527	C	86.8	Confident	84	Confident	14 Å²	14	72.1 Å²	72.1	10%	0.095	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	107.2	179.6	-57.8	0	0	0	0	111	T501 S502 C515 T519 V520	T501-C527 WeakPolarHBondContact O-CB 3.29Å; T501-C527 PolarHBondContact O-SG 2.87Å; T501-C527 VanDerWaalsContact O-SG 3.38Å; T501-C527 PolarHBondContact OG1-N 3.04Å; S502-C527 VanDerWaalsContact CB-SG 3.57Å; C515-C527 WeakPolarHBondContact CA-SG 3.02Å; C515-C527 HydrophobicContact CB-CB 3.76Å; C515-C527 WeakPolarHBondContact CB-SG 3.07Å; C515-C527 WeakPolarHBondContact SG-CB 3.43Å; C515-C527 CovalentContact SG-SG 2.04Å; C515-C527 PolarHBondContact SG-SG 2.91Å; T519-C527 WeakPolarHBondContact OG1-CB 3.49Å; V520-C527 CarbonylContact O-C 3.45Å; V520-C527 WeakPolarHBondContact O-CA 3.34Å
528	V	86.7	Confident	84.5	Confident	37 Å²	37	69.8 Å²	69.8	22%	0.224	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	152.2	174.3	-62.5	0	0	0	0	110.3	T519 V520 D522 K526	T519-V528 CarbonylContact C-O 3.46Å; T519-V528 WeakPolarHBondContact CA-O 3.37Å; T519-V528 WeakPolarHBondContact CB-O 3.25Å; V520-V528 HydrophobicContact CG2-CG2 4.2Å; V520-V528 PolarHBondContact N-O 3.01Å; V520-V528 PolarHBondContact O-N 3.24Å; D522-V528 HydrophobicContact CB-CG1 4.09Å; D522-V528 HydrophobicContact CB-CG2 4.05Å; K526-V528 PolarHBondContact O-N 3.1Å
529	P	85.8	Confident	85.2	Confident	48 Å²	48	65.6 Å²	65.6	31%	0.312	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	140.6	174.7	-22.7	34	0	0	0	111.7	Q531 C532 V544	P529-Q531 PolarHBondContact O-N 3.25Å; P529-Q531 VanDerWaalsContact O-N 3.12Å; P529-C532 WeakPolarHBondContact O-CA 3.32Å; P529-C532 WeakPolarHBondContact O-CB 3.47Å; P529-C532 PolarHBondContact O-N 3.36Å; P529-V544 HydrophobicContact CB-CB 4.49Å; P529-V544 HydrophobicContact CB-CG2 3.42Å; P529-V544 VanDerWaalsContact CB-CG2 3.42Å; P529-V544 HydrophobicContact CG-CG2 3.91Å
530	S	84.8	Confident	85.4	Confident	51 Å²	51	64.4 Å²	64.4	36%	0.357	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-59	-27.1	-176.8	59.5	0	0	0	0	114.1	N518 C532 Y533	N518-S530 WeakPolarHBondContact O-CB 3.36Å; N518-S530 PolarHBondContact O-N 2.99Å; N518-S530 PolarHBondContact O-OG 3.32Å; S530-C532 PolarHBondContact O-N 3Å; S530-Y533 PolarHBondContact O-N 3.33Å
531	Q	84.4	Confident	85.6	Confident	60 Å²	60	65.5 Å²	65.5	28%	0.28	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-71.3	-8.7	174.8	-51	81	-2	0	0	113.5	P529 V544	P529-Q531 PolarHBondContact O-N 3.25Å; P529-Q531 VanDerWaalsContact O-N 3.12Å; Q531-V544 HydrophobicContact CB-CG2 3.99Å; Q531-V544 HydrophobicContact CG-CG2 4.37Å
532	C	87	Confident	85.8	Confident	11 Å²	11	61.6 Å²	61.6	7%	0.074	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-113.7	14.6	179.2	-66.3	0	0	0	0	112.9	P529 S530 P534 N535 C542	P529-C532 WeakPolarHBondContact O-CA 3.32Å; P529-C532 WeakPolarHBondContact O-CB 3.47Å; P529-C532 PolarHBondContact O-N 3.36Å; S530-C532 PolarHBondContact O-N 3Å; C532-P534 CarbonylContact C-O 3.5Å; C532-P534 CarbonylContact O-C 3.44Å; C532-N535 WeakPolarHBondContact O-CA 3.47Å; C532-N535 PolarHBondContact O-N 2.04Å; C532-C542 WeakPolarHBondContact CA-SG 3.46Å; C532-C542 HydrophobicContact CB-CB 3.66Å; C532-C542 WeakPolarHBondContact CB-SG 3.47Å; C532-C542 WeakPolarHBondContact SG-CB 3.38Å; C532-C542 CovalentContact SG-SG 2.04Å; C532-C542 PolarHBondContact SG-SG 2.84Å
533	Y	85.5	Confident	85.9	Confident	103 Å²	103	67.2 Å²	67.2	40%	0.404	36%	0.362	S	S	.	.	S	Bend	trans	-130.2	119.5	176.8	-171.9	-99.5	0	0	0	112.1	V520 D522 D523 S530	V520-Y533 HydrophobicContact CG2-CD1 4.12Å; V520-Y533 HydrophobicContact CG2-CG 3.95Å; D522-Y533 HydrophobicContact CB-CD2 4.41Å; D523-Y533 WeakPolarHBondContact OD1-CE2 3.43Å; D523-Y533 PolarHBondContact OD1-OH 2.89Å; S530-Y533 PolarHBondContact O-N 3.33Å
534	P	85.6	Confident	85.9	Confident	110 Å²	110	62.6 Å²	62.6	71%	0.714	34%	0.338	S	S	*	.	S	Bend	cis	-60.3	156.3	-10.8	28.8	-36.2	0	0	0	111.6	C532 P536	C532-P534 CarbonylContact C-O 3.5Å; C532-P534 CarbonylContact O-C 3.44Å; P534-P536 VanDerWaalsContact O-CD 3.27Å; P534-P536 WeakPolarHBondContact O-CD 3.22Å
535	N	85.9	Confident	85.8	Confident	89 Å²	89	58.5 Å²	58.5	48%	0.476	32%	0.324	S	S	.	.			trans	-62.3	118.1	-177.7	179.5	20.3	0	0	0	110.7	C532 C537 G540 C542	C532-N535 WeakPolarHBondContact O-CA 3.47Å; C532-N535 PolarHBondContact O-N 2.04Å; N535-C537 VanDerWaalsContact C-N 3.27Å; N535-C537 PolarHBondContact ND2-O 3Å; N535-C537 PolarHBondContact O-N 2.78Å; N535-C537 WeakPolarHBondContact OD1-CB 3.04Å; N535-C537 PolarHBondContact OD1-N 2.76Å; N535-C537 VanDerWaalsContact OD1-N 3.15Å; N535-G540 PolarHBondContact ND2-O 2.03Å; N535-C542 VanDerWaalsContact OD1-CB 3.3Å; N535-C542 WeakPolarHBondContact OD1-CB 3.03Å
536	P	87.5	Confident	85.2	Confident	36 Å²	36	65 Å²	65	23%	0.234	35%	0.352	C	S	.	.			trans	-77	-11	-179.4	31.4	-36.1	0	0	0	113.7	P534 C542 F551	P534-P536 VanDerWaalsContact O-CD 3.27Å; P534-P536 WeakPolarHBondContact O-CD 3.22Å; P536-C542 HydrophobicContact CG-CB 4.48Å; P536-F551 HydrophobicContact CB-CD2 4.28Å; P536-F551 HydrophobicContact CB-CE1 4.15Å; P536-F551 HydrophobicContact CB-CE2 3.64Å; P536-F551 HydrophobicContact CB-CZ 3.56Å; P536-F551 HydrophobicContact CG-CD1 4.11Å; P536-F551 HydrophobicContact CG-CD2 3.51Å; P536-F551 HydrophobicContact CG-CE1 4Å; P536-F551 HydrophobicContact CG-CE2 3.39Å; P536-F551 HydrophobicContact CG-CG 3.88Å; P536-F551 HydrophobicContact CG-CZ 3.66Å
537	C	90.2	Very high	83.9	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.034	37%	0.373	C	S	.	.			trans	-91.2	122.1	-175.6	-50.7	0	0	0	0	111.2	N535 G540 C542 C553	N535-C537 VanDerWaalsContact C-N 3.27Å; N535-C537 PolarHBondContact ND2-O 3Å; N535-C537 PolarHBondContact O-N 2.78Å; N535-C537 WeakPolarHBondContact OD1-CB 3.04Å; N535-C537 PolarHBondContact OD1-N 2.76Å; N535-C537 VanDerWaalsContact OD1-N 3.15Å; C537-G540 VanDerWaalsContact CB-O 3.31Å; C537-G540 WeakPolarHBondContact CB-O 3.14Å; C537-C542 VanDerWaalsContact SG-CA 3.53Å; C537-C553 WeakPolarHBondContact CA-SG 3.41Å; C537-C553 HydrophobicContact CB-CB 3.69Å; C537-C553 WeakPolarHBondContact CB-SG 3.41Å; C537-C553 WeakPolarHBondContact SG-CA 3.21Å; C537-C553 WeakPolarHBondContact SG-CB 3.4Å; C537-C553 CovalentContact SG-SG 2.03Å; C537-C553 PolarHBondContact SG-SG 2.62Å
538	V	88.6	Confident	82.6	Confident	101 Å²	101	66 Å²	66	61%	0.612	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-52	-174.4	-172.9	0	0	0	0	111.5	L563	V538-L563 PolarHBondContact N-O 2.84Å
539	N	88.4	Confident	81.6	Confident	48 Å²	48	68.9 Å²	68.9	26%	0.257	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	58.6	178	-56.3	-82.2	0	0	0	110.5	D556 W559 C564	N539-D556 PolarHBondContact O-N 3.23Å; N539-W559 HydrophobicContact CB-CB 4.07Å; N539-W559 HydrophobicContact CB-CD2 3.77Å; N539-W559 HydrophobicContact CB-CG 3.49Å; N539-W559 VanDerWaalsContact CB-CG 3.49Å; N539-C564 HydrophobicContact CB-CB 4.17Å; N539-C564 PolarHBondContact ND2-O 3.49Å; N539-C564 VanDerWaalsContact O-CB 3.28Å; N539-C564 WeakPolarHBondContact O-CB 3.38Å
540	G	88.6	Confident	81.3	Confident	11 Å²	11	71 Å²	71	11%	0.113	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	177.3	-178.5	0	0	0	0	0	115.6	N535 C537 I554	N535-G540 PolarHBondContact ND2-O 2.03Å; C537-G540 VanDerWaalsContact CB-O 3.31Å; C537-G540 WeakPolarHBondContact CB-O 3.14Å; G540-I554 CarbonylContact C-O 3.51Å; G540-I554 WeakPolarHBondContact CA-O 3.35Å
541	V	89	Confident	81.3	Confident	79 Å²	79	72.5 Å²	72.5	48%	0.479	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.8	-177.1	-177.9	0	0	0	0	110.6	I554	V541-I554 PolarHBondContact N-O 3.3Å; V541-I554 PolarHBondContact O-N 2.9Å
542	C	88.8	Confident	81.6	Confident	18 Å²	18	72.3 Å²	72.3	12%	0.122	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.5	172.4	-177	0	0	0	0	111.9	C532 N535 P536 C537	C532-C542 WeakPolarHBondContact CA-SG 3.46Å; C532-C542 HydrophobicContact CB-CB 3.66Å; C532-C542 WeakPolarHBondContact CB-SG 3.47Å; C532-C542 WeakPolarHBondContact SG-CB 3.38Å; C532-C542 CovalentContact SG-SG 2.04Å; C532-C542 PolarHBondContact SG-SG 2.84Å; N535-C542 VanDerWaalsContact OD1-CB 3.3Å; N535-C542 WeakPolarHBondContact OD1-CB 3.03Å; P536-C542 HydrophobicContact CG-CB 4.48Å; C537-C542 VanDerWaalsContact SG-CA 3.53Å
543	R	86.3	Confident	81.7	Confident	151 Å²	151	72.5 Å²	72.5	57%	0.57	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.6	168.5	-64.3	-168.9	-178.8	170.1	2.6	110.3	F551 T552 I554	R543-F551 CarbonylContact O-C 3.56Å; R543-F551 VanDerWaalsContact O-CA 3.3Å; R543-F551 WeakPolarHBondContact O-CA 3.49Å; R543-T552 HydrophobicContact CB-CG2 4.29Å; R543-T552 PolarHBondContact N-O 3.23Å; R543-T552 PolarHBondContact O-N 2.71Å; R543-I554 HydrophobicContact CG-CD1 4.43Å; R543-I554 VanDerWaalsContact CZ-CD1 3.42Å
544	V	83.1	Confident	82	Confident	42 Å²	42	71.1 Å²	71.1	26%	0.255	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.9	176.6	179.5	0	0	0	0	110.6	P529 Q531	P529-V544 HydrophobicContact CB-CB 4.49Å; P529-V544 HydrophobicContact CB-CG2 3.42Å; P529-V544 VanDerWaalsContact CB-CG2 3.42Å; P529-V544 HydrophobicContact CG-CG2 3.91Å; Q531-V544 HydrophobicContact CB-CG2 3.99Å; Q531-V544 HydrophobicContact CG-CG2 4.37Å
545	L	77	Confident	82.3	Confident	89 Å²	89	67.7 Å²	67.7	47%	0.466	40%	0.398	S	S	.	.			trans	-93.6	110.6	178.3	-69.3	172.3	0	0	0	110.8	G547 A548 N550 T552	L545-G547 PolarHBondContact O-N 2.84Å; L545-G547 VanDerWaalsContact O-N 3.15Å; L545-A548 PolarHBondContact O-N 3.46Å; L545-N550 PolarHBondContact N-O 3.3Å; L545-T552 HydrophobicContact CD1-CG2 4.24Å; L545-T552 HydrophobicContact CD2-CG2 3.95Å; L545-T552 HydrophobicContact CG-CG2 3.95Å
546	N	63.7	Low	82.4	Confident	169 Å²	169	67.7 Å²	67.7	90%	0.904	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	49.5	163.5	-65.1	-10.6	0	0	0	116.2	A548	N546-A548 PolarHBondContact O-N 3.34Å; N546-A548 VanDerWaalsContact O-N 3.12Å
547	G	59.3	Low	82.4	Confident	82 Å²	82	70.2 Å²	70.2	85%	0.845	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	3.2	172.3	0	0	0	0	0	115.8	L545	L545-G547 PolarHBondContact O-N 2.84Å; L545-G547 VanDerWaalsContact O-N 3.15Å
548	A	58.9	Low	82.2	Confident	46 Å²	46	75.1 Å²	75.1	38%	0.38	46%	0.456	S	S	.	.	S	Bend	trans	-81.7	169.4	173.2	0	0	0	0	0	111.7	L545 N546 N550	L545-A548 PolarHBondContact O-N 3.46Å; N546-A548 PolarHBondContact O-N 3.34Å; N546-A548 VanDerWaalsContact O-N 3.12Å; A548-N550 PolarHBondContact O-N 3.42Å
549	S	65.8	Low	82.1	Confident	97 Å²	97	74.7 Å²	74.7	68%	0.678	44%	0.443	S	S	*	.	S	Bend	trans	-65.3	6.7	171.9	51.7	0	0	0	0	115
550	N	78.3	Confident	82	Confident	94 Å²	94	74.7 Å²	74.7	50%	0.503	45%	0.445	S	S	.	.			trans	-111.9	130.6	-164.7	-64.4	9.4	0	0	0	111.3	L545 A548	L545-N550 PolarHBondContact N-O 3.3Å; A548-N550 PolarHBondContact O-N 3.42Å
551	F	86.2	Confident	81.8	Confident	81 Å²	81	75.5 Å²	75.5	36%	0.355	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	167.5	171.8	67.2	-91.7	0	0	0	111.7	P536 R543 L563	P536-F551 HydrophobicContact CB-CD2 4.28Å; P536-F551 HydrophobicContact CB-CE1 4.15Å; P536-F551 HydrophobicContact CB-CE2 3.64Å; P536-F551 HydrophobicContact CB-CZ 3.56Å; P536-F551 HydrophobicContact CG-CD1 4.11Å; P536-F551 HydrophobicContact CG-CD2 3.51Å; P536-F551 HydrophobicContact CG-CE1 4Å; P536-F551 HydrophobicContact CG-CE2 3.39Å; P536-F551 HydrophobicContact CG-CG 3.88Å; P536-F551 HydrophobicContact CG-CZ 3.66Å; R543-F551 CarbonylContact O-C 3.56Å; R543-F551 VanDerWaalsContact O-CA 3.3Å; R543-F551 WeakPolarHBondContact O-CA 3.49Å; F551-L563 HydrophobicContact CE2-CD2 3.77Å; F551-L563 HydrophobicContact CZ-CD2 4.05Å
552	T	89.4	Confident	81.6	Confident	57 Å²	57	76.5 Å²	76.5	35%	0.35	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.2	167.6	-172.3	0	0	0	0	109.1	R543 L545	R543-T552 HydrophobicContact CB-CG2 4.29Å; R543-T552 PolarHBondContact N-O 3.23Å; R543-T552 PolarHBondContact O-N 2.71Å; L545-T552 HydrophobicContact CD1-CG2 4.24Å; L545-T552 HydrophobicContact CD2-CG2 3.95Å; L545-T552 HydrophobicContact CG-CG2 3.95Å
553	C	90.5	Very high	81.7	Confident	15 Å²	15	79 Å²	79	10%	0.101	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.7	176.3	-63	0	0	0	0	110.6	C537 P562 C564	C537-C553 WeakPolarHBondContact CA-SG 3.41Å; C537-C553 HydrophobicContact CB-CB 3.69Å; C537-C553 WeakPolarHBondContact CB-SG 3.41Å; C537-C553 WeakPolarHBondContact SG-CA 3.21Å; C537-C553 WeakPolarHBondContact SG-CB 3.4Å; C537-C553 CovalentContact SG-SG 2.03Å; C537-C553 PolarHBondContact SG-SG 2.62Å; C553-P562 WeakPolarHBondContact CB-O 3.35Å; C553-P562 PolarHBondContact SG-O 3.12Å; C553-C564 WeakPolarHBondContact CB-SG 3.3Å
554	I	91.4	Very high	81.8	Confident	74 Å²	74	71.8 Å²	71.8	38%	0.379	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112.6	166.8	-62.6	-176.3	0	0	0	107.3	G540 V541 R543	G540-I554 CarbonylContact C-O 3.51Å; G540-I554 WeakPolarHBondContact CA-O 3.35Å; V541-I554 PolarHBondContact N-O 3.3Å; V541-I554 PolarHBondContact O-N 2.9Å; R543-I554 HydrophobicContact CG-CD1 4.43Å; R543-I554 VanDerWaalsContact CZ-CD1 3.42Å
555	C	90.5	Very high	82.2	Confident	37 Å²	37	73.5 Å²	73.5	25%	0.25	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	143	-172.4	-52.3	0	0	0	0	113	W559 C564	C555-W559 HydrophobicContact CB-CB 4.03Å; C555-W559 WeakPolarHBondContact CB-O 3.37Å; C555-C564 WeakPolarHBondContact CA-SG 3.06Å; C555-C564 HydrophobicContact CB-CB 3.61Å; C555-C564 WeakPolarHBondContact CB-SG 3.03Å; C555-C564 PolarHBondContact N-SG 3.22Å; C555-C564 WeakPolarHBondContact SG-CA 3.06Å; C555-C564 WeakPolarHBondContact SG-CB 3.45Å; C555-C564 CovalentContact SG-SG 2.03Å; C555-C564 PolarHBondContact SG-SG 2.81Å
556	D	89.6	Confident	82.6	Confident	90 Å²	90	74.1 Å²	74.1	48%	0.481	45%	0.454	S	S	.	.			trans	-85.3	140.6	-179.6	-67.4	-50.5	0	0	0	112	N539 I558 W559	N539-D556 PolarHBondContact O-N 3.23Å; D556-I558 PolarHBondContact O-N 3.35Å; D556-W559 WeakPolarHBondContact O-CB 3.47Å; D556-W559 PolarHBondContact O-N 2.85Å
557	G	87	Confident	83.4	Confident	89 Å²	89	70 Å²	70	92%	0.918	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-109.3	169.7	0	0	0	0	0	115
558	I	85.2	Confident	83.9	Confident	107 Å²	107	69 Å²	69	55%	0.549	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.4	-177.7	62.5	179.2	0	0	0	113.5	D556 V567 S568	D556-I558 PolarHBondContact O-N 3.35Å; I558-V567 HydrophobicContact CD1-CG1 3.73Å; I558-V567 HydrophobicContact CG1-CG1 4.06Å; I558-S568 PolarHBondContact O-N 2.68Å; I558-S568 PolarHBondContact O-OG 2.98Å; I558-S568 VanDerWaalsContact O-OG 3.13Å
559	W	87.5	Confident	84.1	Confident	93 Å²	93	72 Å²	72	35%	0.352	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	146.3	-178.4	-63.5	108.5	0	0	0	111.7	N539 C555 D556 C564 Q566 V567	N539-W559 HydrophobicContact CB-CB 4.07Å; N539-W559 HydrophobicContact CB-CD2 3.77Å; N539-W559 HydrophobicContact CB-CG 3.49Å; N539-W559 VanDerWaalsContact CB-CG 3.49Å; C555-W559 HydrophobicContact CB-CB 4.03Å; C555-W559 WeakPolarHBondContact CB-O 3.37Å; D556-W559 WeakPolarHBondContact O-CB 3.47Å; D556-W559 PolarHBondContact O-N 2.85Å; W559-C564 HydrophobicContact CB-CB 4.3Å; W559-Q566 CarbonylContact C-O 3.43Å; W559-Q566 VanDerWaalsContact CA-O 3.28Å; W559-Q566 WeakPolarHBondContact CA-O 3.34Å; W559-V567 HydrophobicContact CD2-CG2 4.38Å; W559-V567 HydrophobicContact CE3-CG2 3.7Å; W559-V567 HydrophobicContact CH2-CG2 4.06Å; W559-V567 HydrophobicContact CZ3-CG2 3.52Å
560	T	85.2	Confident	83.7	Confident	47 Å²	47	73.7 Å²	73.7	29%	0.288	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	179.7	-171.7	48.4	0	0	0	0	109.4	C564 D565 Q566 S568	T560-C564 CarbonylContact O-C 3.57Å; T560-C564 VanDerWaalsContact O-CA 3.32Å; T560-C564 WeakPolarHBondContact O-CA 3.32Å; T560-D565 PolarHBondContact O-N 2.79Å; T560-D565 VanDerWaalsContact O-N 3.1Å; T560-Q566 PolarHBondContact N-O 3.38Å; T560-Q566 WeakPolarHBondContact O-CB 3.48Å; T560-Q566 PolarHBondContact O-N 3.02Å; T560-Q566 VanDerWaalsContact OG1-C 3.29Å; T560-Q566 PolarHBondContact OG1-O 2.73Å; T560-S568 VanDerWaalsContact CG2-OG 3.24Å; T560-S568 WeakPolarHBondContact CG2-OG 3.27Å
561	G	84.4	Confident	82.5	Confident	28 Å²	28	76.5 Å²	76.5	29%	0.289	45%	0.454	S	S	.	.	S	Bend	trans	86	163.1	-171	0	0	0	0	0	112.1	L563 C564	G561-L563 PolarHBondContact O-N 3.37Å; G561-C564 PolarHBondContact O-N 2.04Å
562	P	86.2	Confident	81	Confident	101 Å²	101	79.4 Å²	79.4	66%	0.656	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.7	-172	28.5	-35.3	0	0	0	113.7	C553	C553-P562 WeakPolarHBondContact CB-O 3.35Å; C553-P562 PolarHBondContact SG-O 3.12Å
563	L	89.2	Confident	79.3	Confident	70 Å²	70	81.5 Å²	81.5	37%	0.366	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	10.8	178.2	-57.3	179.3	0	0	0	112.6	V538 F551 G561 D565	V538-L563 PolarHBondContact N-O 2.84Å; F551-L563 HydrophobicContact CE2-CD2 3.77Å; F551-L563 HydrophobicContact CZ-CD2 4.05Å; G561-L563 PolarHBondContact O-N 3.37Å; L563-D565 PolarHBondContact N-OD1 3.05Å
564	C	90.3	Very high	77.6	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	54%	0.536	C	S	.	.	S	Bend	trans	62.1	42.9	-176.2	-48.4	0	0	0	0	113.2	N539 C553 C555 W559 T560 G561	N539-C564 HydrophobicContact CB-CB 4.17Å; N539-C564 PolarHBondContact ND2-O 3.49Å; N539-C564 VanDerWaalsContact O-CB 3.28Å; N539-C564 WeakPolarHBondContact O-CB 3.38Å; C553-C564 WeakPolarHBondContact CB-SG 3.3Å; C555-C564 WeakPolarHBondContact CA-SG 3.06Å; C555-C564 HydrophobicContact CB-CB 3.61Å; C555-C564 WeakPolarHBondContact CB-SG 3.03Å; C555-C564 PolarHBondContact N-SG 3.22Å; C555-C564 WeakPolarHBondContact SG-CA 3.06Å; C555-C564 WeakPolarHBondContact SG-CB 3.45Å; C555-C564 CovalentContact SG-SG 2.03Å; C555-C564 PolarHBondContact SG-SG 2.81Å; W559-C564 HydrophobicContact CB-CB 4.3Å; T560-C564 CarbonylContact O-C 3.57Å; T560-C564 VanDerWaalsContact O-CA 3.32Å; T560-C564 WeakPolarHBondContact O-CA 3.32Å; G561-C564 PolarHBondContact O-N 2.04Å
565	D	90.1	Very high	76	Confident	78 Å²	78	87.8 Å²	87.8	42%	0.417	55%	0.553	S	S	.	*			trans	-99.8	-12.3	-174.1	55.8	-60.7	0	0	0	114	T560 L563	T560-D565 PolarHBondContact O-N 2.79Å; T560-D565 VanDerWaalsContact O-N 3.1Å; L563-D565 PolarHBondContact N-OD1 3.05Å
566	Q	85.1	Confident	75.2	Confident	102 Å²	102	89.7 Å²	89.7	48%	0.477	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.5	154.8	-170.1	-51.7	177.8	7.4	0	0	111.6	W559 T560	W559-Q566 CarbonylContact C-O 3.43Å; W559-Q566 VanDerWaalsContact CA-O 3.28Å; W559-Q566 WeakPolarHBondContact CA-O 3.34Å; T560-Q566 PolarHBondContact N-O 3.38Å; T560-Q566 WeakPolarHBondContact O-CB 3.48Å; T560-Q566 PolarHBondContact O-N 3.02Å; T560-Q566 VanDerWaalsContact OG1-C 3.29Å; T560-Q566 PolarHBondContact OG1-O 2.73Å
567	V	81.9	Confident	74.7	Confident	82 Å²	82	95.7 Å²	95.7	50%	0.497	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.9	133.3	-179.8	178.6	0	0	0	0	111	I558 W559 S569	I558-V567 HydrophobicContact CD1-CG1 3.73Å; I558-V567 HydrophobicContact CG1-CG1 4.06Å; W559-V567 HydrophobicContact CD2-CG2 4.38Å; W559-V567 HydrophobicContact CE3-CG2 3.7Å; W559-V567 HydrophobicContact CH2-CG2 4.06Å; W559-V567 HydrophobicContact CZ3-CG2 3.52Å; V567-S569 PolarHBondContact O-N 3.17Å
568	S	69.9	Low	74.5	Confident	62 Å²	62	101.1 Å²	101.1	43%	0.434	58%	0.576	S	S	.	*			trans	-61.9	124.2	179.7	-61.7	0	0	0	0	112.8	I558 T560	I558-S568 PolarHBondContact O-N 2.68Å; I558-S568 PolarHBondContact O-OG 2.98Å; I558-S568 VanDerWaalsContact O-OG 3.13Å; T560-S568 VanDerWaalsContact CG2-OG 3.24Å; T560-S568 WeakPolarHBondContact CG2-OG 3.27Å
569	S	62.1	Low	74.4	Confident	108 Å²	108	101.4 Å²	101.4	76%	0.755	57%	0.57	S	S	*	*			trans	-82.5	136	172.3	52.8	0	0	0	0	111.9	V567	V567-S569 PolarHBondContact O-N 3.17Å
570	V	57.9	Low	74.2	Confident	132 Å²	132	100.2 Å²	100.2	80%	0.8	57%	0.57	S	S	*	*			trans	-91.6	115	-176.4	-175.2	0	0	0	0	110.6	T572	V570-T572 PolarHBondContact O-N 3.21Å
571	N	53.1	Low	74.2	Confident	154 Å²	154	104.6 Å²	104.6	82%	0.824	59%	0.591	S	S	*	*			trans	-71.4	121.9	174.7	-72.1	-23.1	0	0	0	111.3
572	T	53.5	Low	74.3	Confident	142 Å²	142	108.9 Å²	108.9	87%	0.871	61%	0.607	S	S	*	*			trans	-83.8	115	178.1	40	0	0	0	0	112	V570	V570-T572 PolarHBondContact O-N 3.21Å
573	A	54.2	Low	74.4	Confident	101 Å²	101	107.3 Å²	107.3	84%	0.835	60%	0.595	S	S	*	*			trans	-84.9	121	178.9	0	0	0	0	0	112.1
574	G	55.3	Low	74.5	Confident	79 Å²	79	107.8 Å²	107.8	81%	0.814	60%	0.601	S	S	*	*			trans	-84.6	127.4	179.2	0	0	0	0	0	113.9	S576	G574-S576 PolarHBondContact O-N 2.82Å
575	L	58.5	Low	74.6	Confident	142 Å²	142	113.9 Å²	113.9	74%	0.743	63%	0.632	S	S	*	*			trans	-81.1	95.1	176.2	-84.6	168.1	0	0	0	111.8	W579	L575-W579 HydrophobicContact CB-CZ2 4.41Å; L575-W579 PolarHBondContact O-NE1 2.87Å
576	S	73.1	Confident	74.7	Confident	77 Å²	77	114.7 Å²	114.7	54%	0.538	64%	0.636	S	S	.	*			trans	-38.7	143.4	176.1	172.7	0	0	0	0	114.2	G574 W578 W579	G574-S576 PolarHBondContact O-N 2.82Å; S576-W578 PolarHBondContact O-N 3.27Å; S576-W579 PolarHBondContact O-NE1 3.12Å
577	W	79.4	Confident	75	Confident	216 Å²	216	114.7 Å²	114.7	82%	0.818	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-22.6	-167.5	-151.7	-4	0	0	0	115.6	W579 I580	W577-W579 PolarHBondContact O-N 3.4Å; W577-I580 PolarHBondContact O-N 2.68Å
578	W	81.4	Confident	75.5	Confident	202 Å²	202	116 Å²	116	77%	0.765	64%	0.643	S	S	*	*	H	α-helix	trans	-58.6	-29.8	-171.3	67.1	-21.8	0	0	0	117	S576 I580 L581	S576-W578 PolarHBondContact O-N 3.27Å; W578-I580 VanDerWaalsContact C-N 3.27Å; W578-I580 PolarHBondContact O-N 2.85Å; W578-L581 PolarHBondContact O-N 2.83Å
579	W	84.6	Confident	76.6	Confident	113 Å²	113	115.7 Å²	115.7	43%	0.428	64%	0.644	S	S	.	*	H	α-helix	trans	-68.6	-26.5	-177.1	57.7	-90.6	0	0	0	112.5	L575 S576 W577 L581 L582 V583	L575-W579 HydrophobicContact CB-CZ2 4.41Å; L575-W579 PolarHBondContact O-NE1 2.87Å; S576-W579 PolarHBondContact O-NE1 3.12Å; W577-W579 PolarHBondContact O-N 3.4Å; W579-L581 PolarHBondContact O-N 2.61Å; W579-L582 PolarHBondContact O-N 2.94Å; W579-V583 HydrophobicContact CE3-CG2 4.44Å; W579-V583 WeakPolarHBondContact O-CG2 3.33Å; W579-V583 PolarHBondContact O-N 2.89Å
580	I	83.2	Confident	78	Confident	68 Å²	68	115 Å²	115	35%	0.349	63%	0.631	S	S	.	*	H	α-helix	trans	-64	-42.2	-180	-55.9	-170.4	0	0	0	110.5	W577 W578 L582 V583 V584	W577-I580 PolarHBondContact O-N 2.68Å; W578-I580 VanDerWaalsContact C-N 3.27Å; W578-I580 PolarHBondContact O-N 2.85Å; I580-L582 PolarHBondContact O-N 2.97Å; I580-V583 PolarHBondContact O-N 3.12Å; I580-V584 WeakPolarHBondContact O-CG2 3.3Å; I580-V584 PolarHBondContact O-N 3.01Å
581	L	84.2	Confident	79.6	Confident	139 Å²	139	113.7 Å²	113.7	73%	0.728	62%	0.619	S	S	*	*	H	α-helix	trans	-63.4	-40.7	176.3	-69.8	173.4	0	0	0	112	W578 W579 V584 L585	W578-L581 PolarHBondContact O-N 2.83Å; W579-L581 PolarHBondContact O-N 2.61Å; L581-V584 PolarHBondContact O-N 3.04Å; L581-L585 WeakPolarHBondContact O-CB 3.02Å; L581-L585 PolarHBondContact O-N 2.91Å; L581-L585 VanDerWaalsContact O-N 3.12Å
582	L	87.2	Confident	81.4	Confident	119 Å²	119	112.1 Å²	112.1	62%	0.623	61%	0.61	S	S	*	*	H	α-helix	trans	-64.2	-44.8	178.2	-168	157.8	0	0	0	111.2	W579 I580 L585 L586	W579-L582 PolarHBondContact O-N 2.94Å; I580-L582 PolarHBondContact O-N 2.97Å; L582-L585 PolarHBondContact O-N 2.95Å; L582-L586 WeakPolarHBondContact O-CB 3.45Å; L582-L586 PolarHBondContact O-N 2.64Å
583	V	89.1	Confident	83.1	Confident	68 Å²	68	107.7 Å²	107.7	41%	0.412	59%	0.588	S	S	.	*	H	α-helix	trans	-62.9	-44.3	177.3	171	0	0	0	0	111.8	W579 I580 L585 L586 L587	W579-V583 HydrophobicContact CE3-CG2 4.44Å; W579-V583 WeakPolarHBondContact O-CG2 3.33Å; W579-V583 PolarHBondContact O-N 2.89Å; I580-V583 PolarHBondContact O-N 3.12Å; V583-L585 PolarHBondContact O-N 2.04Å; V583-L586 PolarHBondContact O-N 2.78Å; V583-L587 HydrophobicContact CG1-CD1 4Å; V583-L587 HydrophobicContact CG1-CG 4.48Å; V583-L587 WeakPolarHBondContact O-CG 2.97Å; V583-L587 PolarHBondContact O-N 3.15Å
584	V	90.9	Very high	84.6	Confident	80 Å²	80	106.3 Å²	106.3	49%	0.485	57%	0.569	S	S	.	*	H	α-helix	trans	-62.5	-42.4	179	169.9	0	0	0	0	111.9	I580 L581 L587 L588	I580-V584 WeakPolarHBondContact O-CG2 3.3Å; I580-V584 PolarHBondContact O-N 3.01Å; L581-V584 PolarHBondContact O-N 3.04Å; V584-L587 PolarHBondContact O-N 2.89Å; V584-L588 PolarHBondContact O-N 2.03Å
585	L	91.1	Very high	86.2	Confident	127 Å²	127	107 Å²	107	67%	0.665	55%	0.553	S	S	*	*	H	α-helix	trans	-67.8	-39	179.6	-151.8	161.7	0	0	0	111.3	L581 L582 V583 L588 A589	L581-L585 WeakPolarHBondContact O-CB 3.02Å; L581-L585 PolarHBondContact O-N 2.91Å; L581-L585 VanDerWaalsContact O-N 3.12Å; L582-L585 PolarHBondContact O-N 2.95Å; V583-L585 PolarHBondContact O-N 2.04Å; L585-L588 PolarHBondContact O-N 3.4Å; L585-A589 PolarHBondContact O-N 3.3Å; L585-A589 VanDerWaalsContact O-N 3.15Å
586	L	92.5	Very high	87.6	Confident	96 Å²	96	105.8 Å²	105.8	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-65.7	-37.7	175.7	-170.3	149	0	0	0	112.4	L582 V583 A589 L590	L582-L586 WeakPolarHBondContact O-CB 3.45Å; L582-L586 PolarHBondContact O-N 2.64Å; V583-L586 PolarHBondContact O-N 2.78Å; L586-A589 PolarHBondContact O-N 3.49Å; L586-L590 HydrophobicContact CD2-CD1 3.69Å; L586-L590 HydrophobicContact CD2-CG 4.28Å; L586-L590 WeakPolarHBondContact O-CG 3.45Å; L586-L590 PolarHBondContact O-N 3.29Å
587	L	92.6	Very high	88.2	Confident	101 Å²	101	107.1 Å²	107.1	53%	0.529	55%	0.547	S	S	.	.	H	α-helix	trans	-64.4	-41.4	174.5	-74.1	169	0	0	0	112.5	V583 V584 A589 L590 L591	V583-L587 HydrophobicContact CG1-CD1 4Å; V583-L587 HydrophobicContact CG1-CG 4.48Å; V583-L587 WeakPolarHBondContact O-CG 2.97Å; V583-L587 PolarHBondContact O-N 3.15Å; V584-L587 PolarHBondContact O-N 2.89Å; L587-A589 VanDerWaalsContact C-N 3.35Å; L587-A589 PolarHBondContact O-N 3.43Å; L587-L590 PolarHBondContact O-N 3.15Å; L587-L591 PolarHBondContact O-N 2.94Å
588	L	92.7	Very high	88.5	Confident	110 Å²	110	101.2 Å²	101.2	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-62.1	-40.8	174.9	-80	164.3	0	0	0	112.2	V584 L585 L591 L592	V584-L588 PolarHBondContact O-N 2.03Å; L585-L588 PolarHBondContact O-N 3.4Å; L588-L591 PolarHBondContact O-N 3.48Å; L588-L592 PolarHBondContact O-N 3.37Å
589	A	91.9	Very high	88.6	Confident	55 Å²	55	95.7 Å²	95.7	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-42.2	175.6	0	0	0	0	0	112.4	L585 L586 L587 L591 L592 A593	L585-A589 PolarHBondContact O-N 3.3Å; L585-A589 VanDerWaalsContact O-N 3.15Å; L586-A589 PolarHBondContact O-N 3.49Å; L587-A589 VanDerWaalsContact C-N 3.35Å; L587-A589 PolarHBondContact O-N 3.43Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 2.87Å; A589-L592 PolarHBondContact O-N 3.25Å; A589-A593 WeakPolarHBondContact O-CB 3.5Å; A589-A593 PolarHBondContact O-N 2.73Å
590	L	90.9	Very high	88.6	Confident	95 Å²	95	94.1 Å²	94.1	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-64.1	-35.8	175	-74.9	173.7	0	0	0	112.8	L586 L587 A593 T594	L586-L590 HydrophobicContact CD2-CD1 3.69Å; L586-L590 HydrophobicContact CD2-CG 4.28Å; L586-L590 WeakPolarHBondContact O-CG 3.45Å; L586-L590 PolarHBondContact O-N 3.29Å; L587-L590 PolarHBondContact O-N 3.15Å; L590-A593 PolarHBondContact O-N 2.89Å; L590-T594 WeakPolarHBondContact O-CB 3.41Å; L590-T594 WeakPolarHBondContact O-CG2 3.31Å; L590-T594 PolarHBondContact O-N 3.07Å; L590-T594 PolarHBondContact O-OG1 3Å
591	L	92.4	Very high	88.3	Confident	104 Å²	104	94.6 Å²	94.6	55%	0.545	53%	0.533	S	S	.	.	H	α-helix	trans	-66.3	-44.2	178.4	-153.7	161.6	0	0	0	111	L587 L588 A589 T594 I595	L587-L591 PolarHBondContact O-N 2.94Å; L588-L591 PolarHBondContact O-N 3.48Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 2.87Å; L591-T594 PolarHBondContact O-OG1 2.03Å; L591-I595 HydrophobicContact CD2-CD1 3.71Å; L591-I595 HydrophobicContact CD2-CG1 4.45Å; L591-I595 WeakPolarHBondContact O-CG1 3.06Å; L591-I595 PolarHBondContact O-N 3.26Å
592	L	91	Very high	88.2	Confident	121 Å²	121	98.4 Å²	98.4	63%	0.634	54%	0.538	S	S	*	.	H	α-helix	trans	-63.5	-43	172.3	-76.5	166	0	0	0	112.6	L588 A589 I595 L596	L588-L592 PolarHBondContact O-N 3.37Å; A589-L592 PolarHBondContact O-N 3.25Å; L592-I595 PolarHBondContact O-N 3Å; L592-L596 PolarHBondContact O-N 2.88Å
593	A	89.3	Confident	87.6	Confident	48 Å²	48	103.1 Å²	103.1	40%	0.397	55%	0.547	S	S	.	.	H	α-helix	trans	-64.7	-40.2	179.8	0	0	0	0	0	112.7	A589 L590 L596 L597	A589-A593 WeakPolarHBondContact O-CB 3.5Å; A589-A593 PolarHBondContact O-N 2.73Å; L590-A593 PolarHBondContact O-N 2.89Å; A593-L596 PolarHBondContact O-N 3.1Å; A593-L597 WeakPolarHBondContact O-CB 2.98Å; A593-L597 PolarHBondContact O-N 3.36Å
594	T	85.5	Confident	86.8	Confident	72 Å²	72	110.6 Å²	110.6	44%	0.442	57%	0.568	S	S	.	*	H	α-helix	trans	-68.6	-37.1	178.6	47.1	0	0	0	0	112.6	L590 L591 L597 I598	L590-T594 WeakPolarHBondContact O-CB 3.41Å; L590-T594 WeakPolarHBondContact O-CG2 3.31Å; L590-T594 PolarHBondContact O-N 3.07Å; L590-T594 PolarHBondContact O-OG1 3Å; L591-T594 PolarHBondContact O-OG1 2.03Å; T594-L597 PolarHBondContact O-N 3.13Å; T594-I598 VanDerWaalsContact O-CG1 3.28Å; T594-I598 WeakPolarHBondContact O-CG1 3.19Å; T594-I598 PolarHBondContact O-N 3.39Å
595	I	88.4	Confident	85.2	Confident	93 Å²	93	118.2 Å²	118.2	48%	0.477	59%	0.588	S	S	.	*	H	α-helix	trans	-58.3	-48.4	172	-70.4	169.3	0	0	0	110.7	L591 L592 L597 I598 V599	L591-I595 HydrophobicContact CD2-CD1 3.71Å; L591-I595 HydrophobicContact CD2-CG1 4.45Å; L591-I595 WeakPolarHBondContact O-CG1 3.06Å; L591-I595 PolarHBondContact O-N 3.26Å; L592-I595 PolarHBondContact O-N 3Å; I595-L597 PolarHBondContact O-N 2.96Å; I595-I598 PolarHBondContact O-N 3.44Å; I595-V599 WeakPolarHBondContact O-CG2 3.46Å; I595-V599 PolarHBondContact O-N 3.24Å
596	L	88.3	Confident	83.4	Confident	118 Å²	118	119.3 Å²	119.3	62%	0.618	59%	0.594	S	S	*	*	H	α-helix	trans	-61.5	-43.1	175.8	-75.2	166.9	0	0	0	112.1	L592 A593 I598 V599 C600	L592-L596 PolarHBondContact O-N 2.88Å; A593-L596 PolarHBondContact O-N 3.1Å; L596-I598 VanDerWaalsContact C-N 3.34Å; L596-I598 PolarHBondContact O-N 3.06Å; L596-V599 PolarHBondContact O-N 2.91Å; L596-C600 PolarHBondContact O-N 3.23Å; L596-C600 PolarHBondContact O-SG 3.47Å
597	L	86	Confident	80.8	Confident	104 Å²	104	124.6 Å²	124.6	55%	0.545	61%	0.614	S	S	.	*	H	α-helix	trans	-62.8	-37.2	178.2	-113.4	169.9	0	0	0	112.8	A593 T594 I595 C600 C601	A593-L597 WeakPolarHBondContact O-CB 2.98Å; A593-L597 PolarHBondContact O-N 3.36Å; T594-L597 PolarHBondContact O-N 3.13Å; I595-L597 PolarHBondContact O-N 2.96Å; L597-C600 PolarHBondContact O-N 3.33Å; L597-C601 VanDerWaalsContact O-CB 3.28Å; L597-C601 WeakPolarHBondContact O-CB 3.28Å; L597-C601 PolarHBondContact O-N 3.04Å; L597-C601 PolarHBondContact O-SG 2.98Å
598	I	85.7	Confident	78.2	Confident	92 Å²	92	129.8 Å²	129.8	47%	0.472	63%	0.632	S	S	.	*	H	α-helix	trans	-65	-41.3	175.6	-70.3	163.4	0	0	0	110.8	T594 I595 L596 C600 R602	T594-I598 VanDerWaalsContact O-CG1 3.28Å; T594-I598 WeakPolarHBondContact O-CG1 3.19Å; T594-I598 PolarHBondContact O-N 3.39Å; I595-I598 PolarHBondContact O-N 3.44Å; L596-I598 VanDerWaalsContact C-N 3.34Å; L596-I598 PolarHBondContact O-N 3.06Å; I598-C600 VanDerWaalsContact C-N 3.35Å; I598-R602 WeakPolarHBondContact O-CG 3.14Å; I598-R602 PolarHBondContact O-N 3.22Å
599	V	83.9	Confident	76	Confident	86 Å²	86	133 Å²	133	52%	0.521	64%	0.641	S	S	.	*	H	α-helix	trans	-63.1	-40.1	174.8	174.1	0	0	0	0	111.4	I595 L596	I595-V599 WeakPolarHBondContact O-CG2 3.46Å; I595-V599 PolarHBondContact O-N 3.24Å; L596-V599 PolarHBondContact O-N 2.91Å
600	C	83.9	Confident	74	Confident	80 Å²	80	134 Å²	134	54%	0.541	65%	0.645	S	S	.	*	H	α-helix	trans	-72.9	-46.3	177.5	-69	0	0	0	0	113.7	L596 L597 I598 R602 R603	L596-C600 PolarHBondContact O-N 3.23Å; L596-C600 PolarHBondContact O-SG 3.47Å; L597-C600 PolarHBondContact O-N 3.33Å; I598-C600 VanDerWaalsContact C-N 3.35Å; C600-R602 VanDerWaalsContact C-N 3.27Å; C600-R602 PolarHBondContact O-N 3.32Å; C600-R603 WeakPolarHBondContact O-CB 3.01Å; C600-R603 PolarHBondContact O-N 3.26Å
601	C	77.7	Confident	72.3	Confident	79 Å²	79	137 Å²	137	53%	0.534	66%	0.661	S	S	.	*	H	α-helix	trans	-66.2	-27.7	-176.1	-79.5	0	0	0	0	113.2	L597 R603 R604	L597-C601 VanDerWaalsContact O-CB 3.28Å; L597-C601 WeakPolarHBondContact O-CB 3.28Å; L597-C601 PolarHBondContact O-N 3.04Å; L597-C601 PolarHBondContact O-SG 2.98Å; C601-R603 PolarHBondContact O-N 3.01Å; C601-R604 PolarHBondContact O-N 2.95Å
602	R	80.8	Confident	70.5	Confident	218 Å²	218	139.9 Å²	139.9	82%	0.823	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-5.6	171.2	-77.9	177.3	171.7	-175.9	-2.1	114.1	I598 C600	I598-R602 WeakPolarHBondContact O-CG 3.14Å; I598-R602 PolarHBondContact O-N 3.22Å; C600-R602 VanDerWaalsContact C-N 3.27Å; C600-R602 PolarHBondContact O-N 3.32Å
603	R	75	Confident	68.9	Low	219 Å²	219	141.2 Å²	141.2	83%	0.826	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	5.5	178.4	-63.1	-178	168.4	-178.1	-3.9	116.4	C600 C601	C600-R603 WeakPolarHBondContact O-CB 3.01Å; C600-R603 PolarHBondContact O-N 3.26Å; C601-R603 PolarHBondContact O-N 3.01Å
604	R	71.9	Confident	67.3	Low	224 Å²	224	145.4 Å²	145.4	85%	0.845	70%	0.698	S	S	*	*			trans	-148.6	12.4	-155.3	-129.2	-173.6	-171.2	-168.8	3.7	125.7	C601	C601-R604 PolarHBondContact O-N 2.95Å
605	R	58.5	Low	66.1	Low	241 Å²	241	151.1 Å²	151.1	91%	0.909	72%	0.717	S	S	*	*			trans	-109.9	123.2	-156.4	-155.2	174.6	-167.8	177.9	4.1	119.2
606	N	53.5	Low	64.7	Low	149 Å²	149	153.3 Å²	153.3	80%	0.797	73%	0.73	S	S	*	*			trans	-139.6	-105.8	-170.7	-48.9	105.5	0	0	0	124.2
607	K	37.4	Very low	63.1	Low	208 Å²	208	152.6 Å²	152.6	90%	0.904	73%	0.727	S	S	*	*			trans	-97.3	-173.3	-140.7	-56.8	-169.2	178.3	-179.4	0	121.7
608	K	37.2	Very low	61.6	Low	210 Å²	210	155.9 Å²	155.9	91%	0.913	74%	0.739	S	S	*	*			trans	-156.8	177.7	-167.5	-59.8	177.4	-177.6	176.9	0	113.4
609	K	47.4	Very low	59.7	Low	178 Å²	178	160.5 Å²	160.5	77%	0.774	76%	0.756	S	S	*	*			cis	179.1	128	-41.2	180	-106	174.8	-159	0	115.7
610	S	50.3	Low	57.9	Low	75 Å²	75	160.7 Å²	160.7	52%	0.524	76%	0.761	S	S	.	*			trans	59.9	164.8	158.2	80.4	0	0	0	0	126.4
611	N	54	Low	56.3	Low	158 Å²	158	162.6 Å²	162.6	85%	0.845	77%	0.766	S	S	*	*			trans	174	-173.6	130.9	-79.2	0.2	0	0	0	117.6
612	L	55.5	Low	55	Low	164 Å²	164	165.6 Å²	165.6	86%	0.859	77%	0.772	S	S	*	*			trans	-156.8	-166.8	-146.9	-160.1	76	0	0	0	116.4
613	I	57.9	Low	53.3	Low	149 Å²	149	163.1 Å²	163.1	76%	0.764	77%	0.768	S	S	*	*			trans	101.8	152.9	158.8	-69.1	167.5	0	0	0	119.8
614	D	55.5	Low	51.7	Low	136 Å²	136	160.5 Å²	160.5	73%	0.727	77%	0.769	S	S	*	*			cis	-177.4	-176.2	-38.5	-141.8	-67.2	0	0	0	113.2
615	F	58.6	Low	50.4	Low	192 Å²	192	153 Å²	153	84%	0.842	76%	0.762	S	S	*	*			trans	154.8	158	148.8	-88.7	-68.9	0	0	0	124
616	N	60.7	Low	49.8	Very low	139 Å²	139	149 Å²	149	74%	0.743	76%	0.757	S	S	*	*			trans	-165.7	-165.6	-136.9	-168.4	38.8	0	0	0	120.6
617	N	54.9	Low	49.2	Very low	104 Å²	104	148.6 Å²	148.6	56%	0.556	76%	0.755	S	S	*	*			trans	95.9	158.7	158.5	-63.9	39.7	0	0	0	119.1
618	E	54.3	Low	49.5	Very low	172 Å²	172	145 Å²	145	80%	0.804	75%	0.75	S	S	*	*			cis	-176	-176.3	-16.4	-96.3	173.2	142.3	0	0	109.5
619	F	45	Very low	49.8	Very low	190 Å²	190	143.6 Å²	143.6	83%	0.833	75%	0.747	S	S	*	*				-165.6	-170.5	-50.2	-171.8	-112.8	0	0	0	112.8
620	S	46.3	Very low	49.5	Very low	89 Å²	89	143.2 Å²	143.2	62%	0.622	75%	0.75	S	S	*	*			trans	85.5	153.5	161.9	-81.9	0	0	0	0	121.6
621	D	50.4	Low	49.4	Very low	120 Å²	120	144.9 Å²	144.9	64%	0.642	75%	0.753	S	S	*	*			cis	-162.5	-165.9	-5.2	-129.3	-80	0	0	0	119.3
622	Q	49.7	Very low	49.1	Very low	143 Å²	143	143.9 Å²	143.9	67%	0.668	75%	0.748	S	S	*	*			trans	-55.9	177.6	-177.2	-83.8	171.6	99.4	0	0	123.2
623	K	46.3	Very low	48.7	Very low	166 Å²	166	140.8 Å²	140.8	72%	0.722	74%	0.737	S	S	*	*			cis	171.6	151.2	-12.3	175.1	-163.9	-120.9	163.9	0	115.4
624	L	40.8	Very low	48.5	Very low	163 Å²	163	145.1 Å²	145.1	85%	0.853	74%	0.744	S	S	*	*			trans	134.8	124.7	133.3	-158.1	68.2	0	0	0	121.2
625	G	43.7	Very low	48.2	Very low	67 Å²	67	143.6 Å²	143.6	69%	0.691	74%	0.744	S	S	*	*			trans	-161.6	170.6	173.5	0	0	0	0	0	114.4
626	I	46.5	Very low	47.6	Very low	157 Å²	157	140.9 Å²	140.9	81%	0.805	74%	0.744	S	S	*	*			trans	-161.7	161.6	-164.6	-127.6	164.7	0	0	0	117.4
627	D	41.4	Very low	46.9	Very low	141 Å²	141	138 Å²	138	75%	0.754	75%	0.746	S	S	*	*			trans	61.4	145	159.7	-75	-4.5	0	0	0	124.5
628	T	43.4	Very low	46.5	Very low	132 Å²	132	142.1 Å²	142.1	81%	0.81	76%	0.762	S	S	*	*			cis	-130.1	173.3	1.5	50.3	0	0	0	0	114.2
629	Q	42.8	Very low	46.1	Very low	181 Å²	181	143.6 Å²	143.6	85%	0.846	77%	0.766	S	S	*	*			trans	-104.6	169.5	-174	-51	169.2	-63	0	0	114.8
630	M	41.6	Very low	46.3	Very low	169 Å²	169	140.9 Å²	140.9	83%	0.833	76%	0.76	S	S	*	*				-174.7	112.5	116.1	-170.5	160.7	-177.1	0	0	114.4
631	N	48.5	Very low	45.9	Very low	111 Å²	111	145 Å²	145	59%	0.594	77%	0.767	S	S	*	*			trans	41.9	151.2	138.1	-53.8	17.4	0	0	0	122
632	D	48.2	Very low	45.7	Very low	137 Å²	137	146.3 Å²	146.3	73%	0.733	77%	0.769	S	S	*	*			cis	-154.4	169.7	3.6	-126.5	12	0	0	0	111.8
633	P	47	Very low	45.6	Very low	98 Å²	98	142.5 Å²	142.5	64%	0.636	77%	0.768	S	S	*	*			trans	-100.1	-148.9	-173.6	40.2	-34.6	0	0	0	114.1
634	W	53.5	Low	45.1	Very low	240 Å²	240	139.9 Å²	139.9	91%	0.909	77%	0.768	S	S	*	*			trans	78.5	135.3	-170.1	-56.9	60.7	0	0	0	113.2
635	S	49.3	Very low	45	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	76%	0.762	S	S	*	*			cis	-152.6	169.5	-10.1	-163	0	0	0	0	111.7
636	T	46.4	Very low	44.7	Very low	136 Å²	136	140.9 Å²	140.9	83%	0.834	76%	0.757	S	S	*	*			trans	-57	150.1	-179.6	53.3	0	0	0	0	115.7
637	G	45.5	Very low	44.1	Very low	78 Å²	78	143.1 Å²	143.1	80%	0.804	76%	0.757	S	S	*	*			trans	175	96.8	159.8	0	0	0	0	0	114.6
638	E	46.6	Very low	43.7	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	75%	0.75	S	S	*	*			trans	-66.8	139.8	167.1	-65.6	175.5	153.6	0	0	111.1
639	K	45.7	Very low	43.1	Very low	202 Å²	202	139.5 Å²	139.5	88%	0.878	74%	0.743	S	S	*	*			trans	-166.7	122.3	132.3	-109.6	155.3	-171.4	169.8	0	111.9	F641	K639-F641 PolarHBondContact O-N 3.4Å
640	D	48	Very low	42.6	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	74%	0.743	S	S	*	*			trans	-63.1	124.6	163.4	-55.1	-73.1	0	0	0	109.8
641	F	37.9	Very low	42.2	Very low	175 Å²	175	139.9 Å²	139.9	77%	0.768	74%	0.744	S	S	*	*				-148.1	96.7	117.4	-148.3	-94.3	0	0	0	113.1	K639 G643	K639-F641 PolarHBondContact O-N 3.4Å; F641-G643 PolarHBondContact O-N 3.05Å
642	H	46.5	Very low	41.3	Very low	148 Å²	148	137.5 Å²	137.5	69%	0.685	75%	0.746	S	S	*	*			trans	22.6	73.4	136.4	-52.1	-59.6	0	0	0	117.1
643	G	48.7	Very low	40.7	Very low	62 Å²	62	136.4 Å²	136.4	64%	0.639	74%	0.74	S	S	*	*			trans	170.7	144.6	174.9	0	0	0	0	0	106.9	F641	F641-G643 PolarHBondContact O-N 3.05Å
644	P	36.2	Very low	40.3	Very low	112 Å²	112	138.3 Å²	138.3	73%	0.727	75%	0.75	S	S	*	*				-149.2	-172.3	54.5	43	-24.4	0	0	0	115.7
645	I	38.5	Very low	39.4	Very low	141 Å²	141	132.1 Å²	132.1	72%	0.723	74%	0.735	S	S	*	*			trans	64.1	101.1	148.4	-72.2	155.6	0	0	0	117.8
646	D	36.5	Very low	38.7	Very low	110 Å²	110	131 Å²	131	59%	0.588	73%	0.727	S	S	*	*				15.6	108.8	122.3	-174.3	50.8	0	0	0	117.2	S648	D646-S648 PolarHBondContact OD1-N 3.45Å; D646-S648 WeakPolarHBondContact OD2-CB 3.38Å; D646-S648 PolarHBondContact OD2-OG 3.48Å
647	Y	33.8	Very low	38.1	Very low	204 Å²	204	130.4 Å²	130.4	80%	0.8	72%	0.719	S	S	*	*			trans	-97.4	108.2	137.3	-66.2	-56.5	0	0	0	109	V649	Y647-V649 PolarHBondContact O-N 3.47Å
648	S	34.3	Very low	37.6	Very low	88 Å²	88	133.6 Å²	133.6	62%	0.615	71%	0.713	S	S	*	*			trans	-68.2	34.4	163.1	19.6	0	0	0	0	111.8	D646	D646-S648 PolarHBondContact OD1-N 3.45Å; D646-S648 WeakPolarHBondContact OD2-CB 3.38Å; D646-S648 PolarHBondContact OD2-OG 3.48Å
649	V	30.5	Very low	37.2	Very low	109 Å²	109	132.8 Å²	132.8	66%	0.661	70%	0.703	S	S	*	*			trans	-144.7	88.6	179.5	-173.4	0	0	0	0	104.2	Y647	Y647-V649 PolarHBondContact O-N 3.47Å
650	L	31.7	Very low	36.9	Very low	159 Å²	159	129.9 Å²	129.9	83%	0.832	69%	0.692	S	S	*	*			cis	-132.2	107.9	34.3	-64.4	166.4	0	0	0	113	G652	L650-G652 PolarHBondContact O-N 3.12Å
651	K	32.4	Very low	36.7	Very low	198 Å²	198	129.4 Å²	129.4	86%	0.861	69%	0.689	S	S	*	*			trans	-65	121.5	152.1	-116.5	179	-178.9	174.1	0	107.9
652	G	30.6	Very low	36.8	Very low	62 Å²	62	125.4 Å²	125.4	64%	0.639	68%	0.679	S	S	*	*			trans	146.2	72.2	178.5	0	0	0	0	0	112.1	L650	L650-G652 PolarHBondContact O-N 3.12Å
653	N	34.7	Very low	36.7	Very low	113 Å²	113	121.5 Å²	121.5	60%	0.604	67%	0.666	S	S	*	*			cis	44	68.4	22.6	-164.1	48.5	0	0	0	115.8	N655	N653-N655 VanDerWaalsContact OD1-CB 3.25Å; N653-N655 WeakPolarHBondContact OD1-CB 3.47Å
654	T	39.1	Very low	36.6	Very low	138 Å²	138	122 Å²	122	85%	0.847	65%	0.653	S	S	*	*				-113.9	103.3	113	40.9	0	0	0	0	106.5
655	N	34.9	Very low	37	Very low	111 Å²	111	118.7 Å²	118.7	59%	0.594	64%	0.64	S	S	*	*				74	152.7	57.4	-150.3	10.5	0	0	0	111.8	N653	N653-N655 VanDerWaalsContact OD1-CB 3.25Å; N653-N655 WeakPolarHBondContact OD1-CB 3.47Å
656	S	33.6	Very low	37.1	Very low	79 Å²	79	114.8 Å²	114.8	55%	0.552	63%	0.625	S	S	*	*			trans	48.3	87.5	168	53.1	0	0	0	0	114.4
657	N	34	Very low	37.4	Very low	124 Å²	124	114.2 Å²	114.2	66%	0.663	62%	0.616	S	S	*	*				58.5	150	74.9	-57.6	-4.8	0	0	0	113.2
658	Q	35	Very low	37.5	Very low	146 Å²	146	108.5 Å²	108.5	68%	0.682	60%	0.596	S	S	*	*			trans	65.3	123.2	136.1	-78.3	155.2	-25.8	0	0	117.6
659	Y	38.5	Very low	37.5	Very low	174 Å²	174	108.6 Å²	108.6	68%	0.682	60%	0.597	S	S	*	*			cis	153.1	-179	4.6	-115.1	-161.5	0	0	0	103.3
660	Q	40.5	Very low	37.7	Very low	141 Å²	141	110.6 Å²	110.6	66%	0.659	60%	0.604	S	S	*	*			trans	39	107.4	135.9	-64.6	-179.2	-22.3	0	0	118.1
661	L	42.9	Very low	37.8	Very low	123 Å²	123	105.9 Å²	105.9	64%	0.644	59%	0.594	S	S	*	*				111.3	164.3	63.8	-97.7	177.1	0	0	0	106.7
662	T	40	Very low	37.8	Very low	91 Å²	91	106.8 Å²	106.8	56%	0.558	59%	0.593	S	S	*	*			trans	66.9	160.3	143.4	57.2	0	0	0	0	118.4
663	T	43.6	Very low	37.7	Very low	66 Å²	66	111 Å²	111	41%	0.405	60%	0.6	S	S	.	*			cis	-165.4	176.1	-28.3	37.9	0	0	0	0	107.4	Q90	Q90-T663 HydrophobicContact CB-CG2 3.49Å; Q90-T663 VanDerWaalsContact CB-CG2 3.49Å; Q90-T663 HydrophobicContact CG-CG2 3.74Å
664	N	46.9	Very low	37.7	Very low	72 Å²	72	110.2 Å²	110.2	39%	0.385	60%	0.601	S	S	.	*			trans	73.8	108.8	155.7	-73.2	-69.8	0	0	0	112.6	Q90	Q90-N664 PolarHBondContact NE2-OD1 3.49Å
665	G	44.8	Very low	37.3	Very low	44 Å²	44	110.2 Å²	110.2	45%	0.454	60%	0.601	S	S	.	*				127.9	-158.8	59.4	0	0	0	0	0	106.4
666	S	41.2	Very low	37.1	Very low	58 Å²	58	109.2 Å²	109.2	41%	0.406	60%	0.603	S	S	.	*			cis	-176.9	147.9	-12.2	40	0	0	0	0	108
667	Y	41.4	Very low	37	Very low	98 Å²	98	114.5 Å²	114.5	38%	0.384	62%	0.616	S	S	.	*			trans	71.1	154.7	159.5	-53.8	-39.1	0	0	0	120.1	Q175 N177 E179	Q175-Y667 HydrophobicContact CB-CE1 3.9Å; Q175-Y667 HydrophobicContact CG-CE1 4.48Å; N177-Y667 HydrophobicContact CB-CE1 4.44Å; N177-Y667 VanDerWaalsContact CG-OH 3.3Å; N177-Y667 PolarHBondContact N-OH 3.41Å; N177-Y667 WeakPolarHBondContact ND2-CE1 3.32Å; N177-Y667 WeakPolarHBondContact OD1-CE1 3.4Å; N177-Y667 PolarHBondContact OD1-OH 2.98Å; E179-Y667 HydrophobicContact CB-CD1 4.05Å; E179-Y667 HydrophobicContact CB-CE1 3.77Å; E179-Y667 VanDerWaalsContact OE2-CA 3.28Å; E179-Y667 WeakPolarHBondContact OE2-CA 3.22Å; E179-Y667 WeakPolarHBondContact OE2-CD1 3.44Å; E179-Y667 PolarHBondContact OE2-N 3.01Å; E179-Y667 VanDerWaalsContact OE2-N 3.1Å
668	Q	36.7	Very low	36.9	Very low	84 Å²	84	118.2 Å²	118.2	39%	0.393	63%	0.627	S	S	.	*			cis	-178.6	160.1	-24.6	-176	148.7	86.5	0	0	109.3	N177 E179 M204	N177-Q668 PolarHBondContact ND2-OE1 3.04Å; E179-Q668 WeakPolarHBondContact OE1-CB 3.47Å; E179-Q668 WeakPolarHBondContact OE1-CG 3.44Å; E179-Q668 PolarHBondContact OE1-NE2 3.18Å; M204-Q668 PolarHBondContact SD-NE2 3.29Å
669	S	35.1	Very low	36.7	Very low	90 Å²	90	116.8 Å²	116.8	63%	0.629	63%	0.633	S	S	*	*			trans	71.4	153	148.3	152.7	0	0	0	0	119
670	N	34.4	Very low	36.3	Very low	152 Å²	152	115.1 Å²	115.1	81%	0.813	64%	0.635	S	S	*	*			cis	-173.3	163	-20.8	-90.9	-34.9	0	0	0	106.3
671	G	33.1	Very low	36.1	Very low	60 Å²	60	115.3 Å²	115.3	62%	0.619	65%	0.646	S	S	*	*			cis	169.2	-155.4	1.7	0	0	0	0	0	111.6
672	Y	32	Very low	35.4	Very low	216 Å²	216	117.9 Å²	117.9	85%	0.847	66%	0.661	S	S	*	*			trans	72.5	107.6	173.3	-69.8	-91	0	0	0	118.6
673	L	29.7	Very low	35	Very low	151 Å²	151	116.9 Å²	116.9	79%	0.791	67%	0.669	S	S	*	*				61	152.1	68.6	-85.8	79.5	0	0	0	115.6
674	P	34	Very low	34.2	Very low	96 Å²	96	119.5 Å²	119.5	62%	0.623	69%	0.69	S	S	*	*			cis	-145.6	167.4	-15.8	36.6	-16.8	0	0	0	117.7
675	T	30.3	Very low	33.5	Very low	138 Å²	138	123.5 Å²	123.5	85%	0.847	71%	0.71	S	S	*	*			trans	61.5	158.4	147.7	56	0	0	0	0	119.7
676	S	31.4	Very low	32.9	Very low	91 Å²	91	127.9 Å²	127.9	64%	0.636	72%	0.722	S	S	*	*			cis	-161.8	160	15.7	100.2	0	0	0	0	113.6
677	K	32.3	Very low	32.3	Very low	190 Å²	190	132.6 Å²	132.6	83%	0.826	74%	0.742	S	S	*	*			trans	58.8	120.3	149	-66.1	175.2	-179.6	175.4	0	122.3
678	K	31.2	Very low	31.9	Very low	202 Å²	202	135.3 Å²	135.3	88%	0.878	76%	0.758	S	S	*	*				18.6	130.7	127.4	-59.9	-172.2	175.4	-164.5	0	119.7
679	S	31.5	Very low	31.5	Very low	115 Å²	115	137.4 Å²	137.4	80%	0.804	78%	0.776	S	S	*	*				-164.6	148.8	101.4	-166.5	0	0	0	0	111.5
680	D	30.2	Very low	31.2	Very low	139 Å²	139	142 Å²	142	74%	0.743	79%	0.785	S	S	*	*			trans	-78.3	149.3	-178.5	-38.1	-81.1	0	0	0	112.7
681	T	35.2	Very low	31	Very low	145 Å²	145	139.9 Å²	139.9	89%	0.89	78%	0.78	S	S	*	*			trans	-163.7	146.7	135.5	0.2	0	0	0	0	111.3
682	N	29.5	Very low	30.7	Very low	177 Å²	177	142.5 Å²	142.5	95%	0.947	79%	0.789	S	S	*	*			trans	-76.8	135.2	-173.8	-66.2	-30.4	0	0	0	112.6
683	G	30.5	Very low	30.6	Very low	70 Å²	70	137.7 Å²	137.7	72%	0.722	78%	0.782	S	S	*	*			trans	-144.8	125	165.9	0	0	0	0	0	109.6
684	S	26.7	Very low	30.7	Very low	122 Å²	122	133.9 Å²	133.9	85%	0.853	77%	0.765	S	S	*	*			trans	-70	135	179.2	178.8	0	0	0	0	110.6
685	I	33.4	Very low	30.6	Very low	156 Å²	156	131.6 Å²	131.6	80%	0.8	75%	0.754	S	S	*	*			trans	-130.1	129.5	167.8	-62.4	-178.9	0	0	0	106.9
686	D	31.2	Very low	30.7	Very low	135 Å²	135	131.4 Å²	131.4	72%	0.722	74%	0.744	S	S	*	*			trans	-66.2	147	-177.6	-77.8	-62.3	0	0	0	113.2	Q688	D686-Q688 VanDerWaalsContact C-N 3.3Å; D686-Q688 PolarHBondContact O-N 3.36Å
687	I	28.4	Very low	30.7	Very low	158 Å²	158	129.6 Å²	129.6	81%	0.81	73%	0.734	S	S	*	*			trans	-76.5	82.9	171.3	-56.2	174.2	0	0	0	108.3	T689	I687-T689 PolarHBondContact O-N 3.37Å
688	Q	32.8	Very low	30.8	Very low	155 Å²	155	127.7 Å²	127.7	72%	0.724	72%	0.723	S	S	*	*			trans	-75.7	105.4	166.8	-72.1	-163.7	-9.6	0	0	109.7	D686 F690	D686-Q688 VanDerWaalsContact C-N 3.3Å; D686-Q688 PolarHBondContact O-N 3.36Å; Q688-F690 WeakPolarHBondContact O-CD2 3.28Å; Q688-F690 PolarHBondContact O-N 3.15Å
689	T	28.2	Very low	31.2	Very low	127 Å²	127	119.5 Å²	119.5	78%	0.779	70%	0.695	S	S	*	*			trans	-63.2	109.3	172.6	48.5	0	0	0	0	110.5	I687	I687-T689 PolarHBondContact O-N 3.37Å
690	F	29.8	Very low	31.7	Very low	186 Å²	186	117.9 Å²	117.9	82%	0.816	68%	0.675	S	S	*	*			trans	-75.3	137.9	167.5	-71.6	-86.1	0	0	0	110	Q688	Q688-F690 WeakPolarHBondContact O-CD2 3.28Å; Q688-F690 PolarHBondContact O-N 3.15Å
691	P	30.1	Very low	32.2	Very low	108 Å²	108	118.4 Å²	118.4	70%	0.701	67%	0.67	S	S	*	*			trans	-70.3	148.9	-176.5	29	-35	0	0	0	111.9	V693	P691-V693 PolarHBondContact O-N 3.47Å
692	S	27.4	Very low	32.6	Very low	116 Å²	116	117.1 Å²	117.1	81%	0.811	66%	0.663	S	S	*	*			trans	-67.2	109.8	177.1	54.2	0	0	0	0	111.8
693	V	29.1	Very low	33.5	Very low	114 Å²	114	112 Å²	112	69%	0.691	64%	0.638	S	S	*	*			trans	-85.8	113.3	172.8	-178	0	0	0	0	109	P691	P691-V693 PolarHBondContact O-N 3.47Å
694	T	30.6	Very low	34.2	Very low	72 Å²	72	111 Å²	111	44%	0.442	62%	0.616	S	S	.	*			trans	-80.7	123.7	176.4	47.3	0	0	0	0	111.4	Q696	T694-Q696 PolarHBondContact O-N 3.32Å
695	A	32.5	Very low	35.4	Very low	47 Å²	47	106.9 Å²	106.9	39%	0.388	58%	0.584	S	S	.	*			trans	-64.4	116.4	158.9	0	0	0	0	0	109
696	Q	33.1	Very low	36.2	Very low	135 Å²	135	99.6 Å²	99.6	63%	0.631	55%	0.547	S	S	*	.			trans	-112.5	99.3	178.5	-75.1	-167.9	-13.3	0	0	111.3	T694	T694-Q696 PolarHBondContact O-N 3.32Å
697	A	31.6	Very low	36.8	Very low	52 Å²	52	95.2 Å²	95.2	43%	0.43	53%	0.526	S	S	.	.			trans	39.3	85.9	154.7	0	0	0	0	0	117.8	G699	A697-G699 PolarHBondContact O-N 3.05Å
698	Y	34.6	Very low	38	Very low	151 Å²	151	90.2 Å²	90.2	59%	0.592	50%	0.497	S	S	*	.			trans	-71.4	-14.8	162.8	-99.1	-101.6	0	0	0	113.8	Q700 G728 Y729	Y698-Q700 PolarHBondContact O-N 3.49Å; Y698-G728 WeakPolarHBondContact CE2-O 3.47Å; Y698-Y729 PolarHBondContact OH-O 3.05Å
699	G	38.6	Very low	38.9	Very low	29 Å²	29	83.7 Å²	83.7	30%	0.299	47%	0.467	S	S	.	.	S	Bend	trans	-59	109.4	171.5	0	0	0	0	0	112	A697 K701	A697-G699 PolarHBondContact O-N 3.05Å; G699-K701 PolarHBondContact O-N 3.38Å
700	Q	41.5	Very low	40	Very low	82 Å²	82	79.3 Å²	79.3	38%	0.383	44%	0.441	S	S	.	.			trans	-64.2	94.2	-170.9	-174.3	172.2	66.2	0	0	112.5	Y698	Y698-Q700 PolarHBondContact O-N 3.49Å
701	K	41.8	Very low	41	Very low	149 Å²	149	74.1 Å²	74.1	65%	0.648	42%	0.418	S	S	*	.			trans	-76.1	160.9	175.6	-71.4	162.5	-172.5	164.6	0	111.3	G699	G699-K701 PolarHBondContact O-N 3.38Å
702	T	42.9	Very low	42	Very low	119 Å²	119	75.6 Å²	75.6	73%	0.73	42%	0.42	S	S	*	.	S	Bend	trans	73.1	65.2	175.4	71.8	0	0	0	0	116.7
703	T	47.8	Very low	43.3	Very low	70 Å²	70	82 Å²	82	43%	0.429	43%	0.427	S	S	.	.				177	149.8	124.9	30.4	0	0	0	0	111.4	I705 A718	T703-I705 PolarHBondContact O-N 3.39Å; T703-I705 PolarHBondContact OG1-O 3.49Å; T703-A718 HydrophobicContact CG2-CB 3.89Å
704	D	47.1	Very low	44.3	Very low	49 Å²	49	83.2 Å²	83.2	26%	0.262	43%	0.425	S	S	.	.	S	Bend	trans	-70.7	1.6	170.8	-85.5	-35.3	0	0	0	112.7	R267 T286 K306 R309	R267-D704 IonicContact NH2-OD1 2.74Å; R267-D704 IonicContact NH2-OD2 3.19Å; T286-D704 WeakPolarHBondContact CA-OD1 3.38Å; K306-D704 WeakPolarHBondContact CD-O 3.24Å; K306-D704 WeakPolarHBondContact CE-O 3.21Å; K306-D704 PolarHBondContact NZ-O 3.21Å; R309-D704 IonicContact CZ-OD1 3.15Å; R309-D704 IonicContact NH1-OD1 2.72Å; R309-D704 PolarHBondContact NH1-OD1 3.01Å; R309-D704 IonicContact NH2-OD1 2.75Å; R309-D704 PolarHBondContact NH2-OD1 3.17Å
705	I	51	Low	45.6	Very low	35 Å²	35	84.9 Å²	84.9	18%	0.179	44%	0.437	C	S	.	.	S	Bend	trans	-125.7	117	-178	-46.5	178.3	0	0	0	108.7	T703 E709 F711 N716 A718	T703-I705 PolarHBondContact O-N 3.39Å; T703-I705 PolarHBondContact OG1-O 3.49Å; I705-E709 HydrophobicContact CG2-CB 4.15Å; I705-F711 HydrophobicContact CG2-CE2 4.47Å; I705-N716 WeakPolarHBondContact CG2-ND2 3.37Å; I705-N716 PolarHBondContact O-ND2 3.28Å; I705-A718 HydrophobicContact CD1-CB 4.22Å
706	P	50.1	Low	46.7	Very low	3 Å²	3	82.9 Å²	82.9	2%	0.019	42%	0.42	C	S	.	.			trans	-59.7	139.6	-179.5	-21	31.4	0	0	0	112.1	I288 W708 E709 N716	I288-P706 HydrophobicContact CD1-CB 4.2Å; I288-P706 HydrophobicContact CD1-CG 4.2Å; P706-W708 HydrophobicContact CB-CD2 3.73Å; P706-W708 VanDerWaalsContact CB-CE2 3.46Å; P706-W708 HydrophobicContact CB-CE3 3.85Å; P706-W708 HydrophobicContact CB-CH2 3.59Å; P706-W708 HydrophobicContact CB-CZ2 3.42Å; P706-W708 VanDerWaalsContact CB-CZ2 3.42Å; P706-W708 HydrophobicContact CB-CZ3 3.76Å; P706-W708 HydrophobicContact CG-CH2 4.47Å; P706-W708 HydrophobicContact CG-CZ2 4.11Å; P706-W708 PolarHBondContact O-N 2.93Å; P706-E709 WeakPolarHBondContact O-CB 3.34Å; P706-E709 PolarHBondContact O-N 2.89Å; P706-N716 PolarHBondContact O-ND2 3.17Å
707	P	44.3	Very low	47.6	Very low	43 Å²	43	81.4 Å²	81.4	28%	0.279	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.2	-172.4	14.1	-26.3	0	0	0	114.9	I719	P707-I719 HydrophobicContact CB-CD1 3.78Å; P707-I719 VanDerWaalsContact O-CD1 3.23Å; P707-I719 WeakPolarHBondContact O-CD1 3.28Å
708	W	53.4	Low	48.5	Very low	52 Å²	52	80.4 Å²	80.4	20%	0.197	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.4	177.1	59.2	89.4	0	0	0	115.2	I288 N450 W452 P706 S710	I288-W708 HydrophobicContact CD1-CH2 4.14Å; N450-W708 WeakPolarHBondContact ND2-CZ2 3.49Å; W452-W708 HydrophobicContact CB-CH2 4.33Å; W452-W708 HydrophobicContact CB-CZ3 4.41Å; W452-W708 AromaticContact CD1-CE3 3.37Å; W452-W708 AromaticContact CD1-CH2 3.62Å; W452-W708 AromaticContact CD1-CZ3 2.99Å; W452-W708 HydrophobicContact CD2-CZ3 4.35Å; W452-W708 HydrophobicContact CG-CE3 4.42Å; W452-W708 HydrophobicContact CG-CH2 4.07Å; W452-W708 AromaticContact CG-CZ3 3.68Å; W452-W708 HydrophobicContact CG-CZ3 3.68Å; W452-W708 AromaticContact NE1-CE3 3.42Å; W452-W708 AromaticContact NE1-CZ3 3.34Å; W452-W708 VanDerWaalsContact NE1-CZ3 3.34Å; P706-W708 HydrophobicContact CB-CD2 3.73Å; P706-W708 VanDerWaalsContact CB-CE2 3.46Å; P706-W708 HydrophobicContact CB-CE3 3.85Å; P706-W708 HydrophobicContact CB-CH2 3.59Å; P706-W708 HydrophobicContact CB-CZ2 3.42Å; P706-W708 VanDerWaalsContact CB-CZ2 3.42Å; P706-W708 HydrophobicContact CB-CZ3 3.76Å; P706-W708 HydrophobicContact CG-CH2 4.47Å; P706-W708 HydrophobicContact CG-CZ2 4.11Å; P706-W708 PolarHBondContact O-N 2.93Å; W708-S710 PolarHBondContact O-N 3.38Å
709	E	50.8	Low	49.3	Very low	19 Å²	19	76.9 Å²	76.9	9%	0.089	40%	0.404	C	S	.	.			trans	-91.3	95.6	-170.5	-167.1	157.3	-95.3	0	0	112.9	P307 I705 P706 F711 N716	P307-E709 WeakPolarHBondContact CD-OE1 3.48Å; P307-E709 VanDerWaalsContact CG-OE1 3.26Å; P307-E709 WeakPolarHBondContact CG-OE1 3.34Å; I705-E709 HydrophobicContact CG2-CB 4.15Å; P706-E709 WeakPolarHBondContact O-CB 3.34Å; P706-E709 PolarHBondContact O-N 2.89Å; E709-F711 HydrophobicContact CG-CD2 4.48Å; E709-F711 HydrophobicContact CG-CE2 3.75Å; E709-F711 HydrophobicContact CG-CZ 4.16Å; E709-N716 WeakPolarHBondContact O-CB 3.44Å
710	S	52.6	Low	49.8	Very low	35 Å²	35	83.8 Å²	83.8	25%	0.245	42%	0.421	C	S	.	.			trans	-81.7	136.2	172.8	72	0	0	0	0	112	Q470 W708 Q714	Q470-S710 PolarHBondContact NE2-OG 3.39Å; W708-S710 PolarHBondContact O-N 3.38Å; S710-Q714 VanDerWaalsContact CA-O 3.3Å; S710-Q714 WeakPolarHBondContact CA-O 3.49Å; S710-Q714 WeakPolarHBondContact CB-O 3.37Å
711	F	50.1	Low	50.1	Low	77 Å²	77	87.8 Å²	87.8	34%	0.338	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-107.8	139.1	168.1	-74.7	-89.5	0	0	0	110.2	P305 I705 E709 R713 Q714	P305-F711 HydrophobicContact CB-CE1 3.99Å; P305-F711 HydrophobicContact CB-CZ 4.08Å; P305-F711 WeakPolarHBondContact O-CZ 3.32Å; I705-F711 HydrophobicContact CG2-CE2 4.47Å; E709-F711 HydrophobicContact CG-CD2 4.48Å; E709-F711 HydrophobicContact CG-CE2 3.75Å; E709-F711 HydrophobicContact CG-CZ 4.16Å; F711-R713 PolarHBondContact O-N 3.25Å; F711-Q714 PolarHBondContact N-O 2.83Å; F711-Q714 PolarHBondContact O-N 3.46Å
712	D	51.3	Low	50.2	Low	139 Å²	139	87.7 Å²	87.7	74%	0.743	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	38.3	177.1	-62.3	-31.9	0	0	0	115.5	Q714	D712-Q714 PolarHBondContact O-N 2.97Å
713	R	54.4	Low	50.3	Low	250 Å²	250	87.1 Å²	87.1	94%	0.943	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	9.8	-176.2	-46.4	177.7	-173.7	172.6	2	114.9	F711	F711-R713 PolarHBondContact O-N 3.25Å
714	Q	51.2	Low	49.9	Very low	140 Å²	140	89.9 Å²	89.9	65%	0.654	46%	0.456	S	S	*	.	B	Isolated β-bridge	trans	-91.2	139.5	167.5	-59.8	-168.9	-8.3	0	0	110	S710 F711 D712	S710-Q714 VanDerWaalsContact CA-O 3.3Å; S710-Q714 WeakPolarHBondContact CA-O 3.49Å; S710-Q714 WeakPolarHBondContact CB-O 3.37Å; F711-Q714 PolarHBondContact N-O 2.83Å; F711-Q714 PolarHBondContact O-N 3.46Å; D712-Q714 PolarHBondContact O-N 2.97Å
715	P	56.6	Low	49.8	Very low	107 Å²	107	92.5 Å²	92.5	70%	0.695	47%	0.47	S	S	*	.			trans	-59.3	156.3	173.1	27.8	-34.9	0	0	0	110.8	P717	P715-P717 WeakPolarHBondContact O-CD 3.38Å; P715-P717 VanDerWaalsContact O-N 3.07Å
716	N	57.1	Low	49.1	Very low	5 Å²	5	100 Å²	100	3%	0.027	50%	0.504	C	S	.	.			trans	-50.4	115.1	-177	178.8	-7.8	0	0	0	110.7	I705 P706 E709 A718 I719	I705-N716 WeakPolarHBondContact CG2-ND2 3.37Å; I705-N716 PolarHBondContact O-ND2 3.28Å; P706-N716 PolarHBondContact O-ND2 3.17Å; E709-N716 WeakPolarHBondContact O-CB 3.44Å; N716-A718 PolarHBondContact O-N 3.23Å; N716-A718 VanDerWaalsContact O-N 3.13Å; N716-A718 VanDerWaalsContact OD1-CB 3.32Å; N716-A718 WeakPolarHBondContact OD1-CB 3.28Å; N716-A718 PolarHBondContact OD1-N 3.02Å; N716-I719 HydrophobicContact CB-CD1 4.27Å; N716-I719 HydrophobicContact CB-CG1 4.22Å; N716-I719 WeakPolarHBondContact O-CB 3.36Å; N716-I719 PolarHBondContact O-N 3.45Å
717	P	50.1	Low	48.5	Very low	103 Å²	103	108.6 Å²	108.6	67%	0.669	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-8.2	-175	29	-35.8	0	0	0	113.7	P715 I719	P715-P717 WeakPolarHBondContact O-CD 3.38Å; P715-P717 VanDerWaalsContact O-N 3.07Å; P717-I719 VanDerWaalsContact C-N 3.3Å
718	A	52.4	Low	48.1	Very low	32 Å²	32	108.3 Å²	108.3	26%	0.264	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.2	167	0	0	0	0	0	112.8	T703 I705 N716 R720	T703-A718 HydrophobicContact CG2-CB 3.89Å; I705-A718 HydrophobicContact CD1-CB 4.22Å; N716-A718 PolarHBondContact O-N 3.23Å; N716-A718 VanDerWaalsContact O-N 3.13Å; N716-A718 VanDerWaalsContact OD1-CB 3.32Å; N716-A718 WeakPolarHBondContact OD1-CB 3.28Å; N716-A718 PolarHBondContact OD1-N 3.02Å; A718-R720 PolarHBondContact O-N 3.47Å
719	I	51.1	Low	47.2	Very low	76 Å²	76	112.7 Å²	112.7	39%	0.39	56%	0.56	S	S	.	*			trans	-86.1	95.4	166.1	-56.4	179.4	0	0	0	108.2	P707 N716 P717	P707-I719 HydrophobicContact CB-CD1 3.78Å; P707-I719 VanDerWaalsContact O-CD1 3.23Å; P707-I719 WeakPolarHBondContact O-CD1 3.28Å; N716-I719 HydrophobicContact CB-CD1 4.27Å; N716-I719 HydrophobicContact CB-CG1 4.22Å; N716-I719 WeakPolarHBondContact O-CB 3.36Å; N716-I719 PolarHBondContact O-N 3.45Å; P717-I719 VanDerWaalsContact C-N 3.3Å
720	R	47.5	Very low	46.5	Very low	175 Å²	175	118.8 Å²	118.8	66%	0.66	59%	0.589	S	S	*	*			trans	-75.7	125	147.4	-80	-168.9	-79.1	-164.2	-4.1	107.4	A718 D722 Q723	A718-R720 PolarHBondContact O-N 3.47Å; R720-D722 PolarHBondContact O-N 3.33Å; R720-D722 VanDerWaalsContact O-N 3.13Å; R720-Q723 HydrophobicContact CB-CB 4.05Å; R720-Q723 WeakPolarHBondContact O-CB 3.46Å; R720-Q723 PolarHBondContact O-N 3.44Å
721	L	48.3	Very low	45.9	Very low	165 Å²	165	119 Å²	119	86%	0.864	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-22.8	179.1	-73.7	160.5	0	0	0	112.3
722	D	44.6	Very low	45.1	Very low	148 Å²	148	126 Å²	126	79%	0.791	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	1.8	-179.3	-21	-73.5	0	0	0	112.8	R720	R720-D722 PolarHBondContact O-N 3.33Å; R720-D722 VanDerWaalsContact O-N 3.13Å
723	Q	44.6	Very low	44.9	Very low	106 Å²	106	125.3 Å²	125.3	50%	0.495	62%	0.619	S	S	.	*	S	Bend	trans	-86.2	123.1	177.9	-177	168.1	-30.2	0	0	110.4	R720 L725	R720-Q723 HydrophobicContact CB-CB 4.05Å; R720-Q723 WeakPolarHBondContact O-CB 3.46Å; R720-Q723 PolarHBondContact O-N 3.44Å; Q723-L725 PolarHBondContact O-N 3.34Å
724	V	40.3	Very low	44	Very low	128 Å²	128	115.8 Å²	115.8	78%	0.776	60%	0.598	S	S	*	*			trans	-58.9	112.1	176.9	-179.9	0	0	0	0	109.8	E726	V724-E726 PolarHBondContact O-N 2.82Å
725	L	44.1	Very low	43.5	Very low	105 Å²	105	120.2 Å²	120.2	55%	0.55	61%	0.609	S	S	.	*			trans	-75.1	115	161.9	-71.5	171.5	0	0	0	107.5	Q723 Y727	Q723-L725 PolarHBondContact O-N 3.34Å; L725-Y727 HydrophobicContact CB-CD2 4.14Å; L725-Y727 HydrophobicContact CB-CE2 3.63Å; L725-Y727 HydrophobicContact CD1-CE2 4.41Å; L725-Y727 WeakPolarHBondContact O-CD2 3.35Å; L725-Y727 PolarHBondContact O-N 2.94Å
726	E	36.9	Very low	42.9	Very low	193 Å²	193	119.6 Å²	119.6	90%	0.902	61%	0.605	S	S	*	*			trans	-78	87.1	179.3	-168.4	169.5	-134.3	0	0	109.4	V724 G728	V724-E726 PolarHBondContact O-N 2.82Å; E726-G728 PolarHBondContact O-N 3.31Å
727	Y	37.5	Very low	42.3	Very low	182 Å²	182	123.2 Å²	123.2	71%	0.714	63%	0.629	S	S	*	*			trans	-69.3	110.3	180	-71.8	-83.4	0	0	0	111.1	L725 Y729	L725-Y727 HydrophobicContact CB-CD2 4.14Å; L725-Y727 HydrophobicContact CB-CE2 3.63Å; L725-Y727 HydrophobicContact CD1-CE2 4.41Å; L725-Y727 WeakPolarHBondContact O-CD2 3.35Å; L725-Y727 PolarHBondContact O-N 2.94Å; Y727-Y729 PolarHBondContact O-N 3.44Å
728	G	35.7	Very low	42.1	Very low	38 Å²	38	124.8 Å²	124.8	39%	0.392	64%	0.639	S	S	.	*			trans	-69.5	84.3	175.7	0	0	0	0	0	113.1	Y698 E726	Y698-G728 WeakPolarHBondContact CE2-O 3.47Å; E726-G728 PolarHBondContact O-N 3.31Å
729	Y	34.6	Very low	42.2	Very low	143 Å²	143	131.9 Å²	131.9	56%	0.561	67%	0.667	S	S	*	*			trans	61.1	95.7	162	-156.5	-82	0	0	0	116.2	Y698 Y727	Y698-Y729 PolarHBondContact OH-O 3.05Å; Y727-Y729 PolarHBondContact O-N 3.44Å
730	E	35.7	Very low	42	Very low	147 Å²	147	136.3 Å²	136.3	69%	0.687	68%	0.683	S	S	*	*			trans	-58.5	144.5	165.8	-67.3	-168	155.8	0	0	111.8
731	G	39.5	Very low	41.6	Very low	40 Å²	40	132.7 Å²	132.7	41%	0.412	68%	0.684	S	S	.	*			trans	-60.1	159.9	-178.7	0	0	0	0	0	114.5	D733 G734	G731-D733 PolarHBondContact O-N 3.33Å; G731-G734 PolarHBondContact O-N 2.98Å; G731-G734 VanDerWaalsContact O-N 3.08Å
732	Y	34	Very low	41.5	Very low	224 Å²	224	130.3 Å²	130.3	88%	0.878	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	7.8	-168.8	-160.9	-103.4	0	0	0	115.7
733	D	46.4	Very low	41.4	Very low	125 Å²	125	129.9 Å²	129.9	67%	0.668	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	0.2	-178	25.6	16.9	0	0	0	113.6	G731 R735	G731-D733 PolarHBondContact O-N 3.33Å; D733-R735 PolarHBondContact O-N 3.22Å
734	G	36.8	Very low	41.2	Very low	50 Å²	50	133.3 Å²	133.3	52%	0.515	70%	0.697	S	S	.	*			trans	-69.6	77.7	178	0	0	0	0	0	115	G731	G731-G734 PolarHBondContact O-N 2.98Å; G731-G734 VanDerWaalsContact O-N 3.08Å
735	R	38.9	Very low	41.1	Very low	232 Å²	232	133.1 Å²	133.1	88%	0.875	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-96.8	123.2	158	-74.1	-171.7	179.4	-174.1	0.5	109.6	D733	D733-R735 PolarHBondContact O-N 3.22Å
736	P	45.6	Very low	40.6	Very low	94 Å²	94	134.7 Å²	134.7	61%	0.61	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-61.8	148.1	171.3	26.5	-33.7	0	0	0	110.2
737	P	43.3	Very low	40.7	Very low	81 Å²	81	133.7 Å²	133.7	53%	0.526	71%	0.712	S	S	.	*	P	Polyproline II helix	trans	-55	138.1	176.3	-26.5	35.3	0	0	0	111.5	E739 F740	P737-E739 PolarHBondContact O-N 3.41Å; P737-F740 PolarHBondContact O-N 3.41Å
738	P	46.9	Very low	40.4	Very low	136 Å²	136	129.2 Å²	129.2	88%	0.883	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	1.9	-175.8	-26	35.7	0	0	0	116.9
739	E	53.6	Low	40.4	Very low	182 Å²	182	133.2 Å²	133.2	85%	0.85	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-2.8	-171.4	-60	178.3	171.7	0	0	112.9	P737	P737-E739 PolarHBondContact O-N 3.41Å
740	F	47.2	Very low	40.4	Very low	169 Å²	169	131.1 Å²	131.1	74%	0.741	73%	0.73	S	S	*	*	S	Bend	trans	-108.5	5.8	-171.8	-100.9	-87.2	0	0	0	116.4	P737	P737-F740 PolarHBondContact O-N 3.41Å
741	C	38.8	Very low	40.4	Very low	98 Å²	98	134.6 Å²	134.6	66%	0.662	74%	0.739	S	S	*	*			trans	-102.8	111.7	173.8	-67.7	0	0	0	0	111	T743	C741-T743 PolarHBondContact O-N 3.04Å
742	P	46.4	Very low	40.3	Very low	115 Å²	115	140.5 Å²	140.5	75%	0.747	76%	0.756	S	S	*	*			trans	-64	122	168.9	-17.8	31.5	0	0	0	110	E744	P742-E744 PolarHBondContact O-N 3.28Å; P742-E744 VanDerWaalsContact O-N 3.08Å
743	T	42.7	Very low	40.5	Very low	140 Å²	140	136.7 Å²	136.7	86%	0.859	75%	0.75	S	S	*	*			trans	-79.9	85.3	172.2	49.9	0	0	0	0	110.1	C741	C741-T743 PolarHBondContact O-N 3.04Å
744	E	40.2	Very low	40.1	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-72.6	145.8	163.2	-69.1	-155.8	138	0	0	110.8	P742	P742-E744 PolarHBondContact O-N 3.28Å; P742-E744 VanDerWaalsContact O-N 3.08Å
745	P	38.6	Very low	40	Very low	123 Å²	123	146.7 Å²	146.7	80%	0.799	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-79.2	146.1	-165.4	30.7	-35.9	0	0	0	113.6	L747	P745-L747 PolarHBondContact O-N 3.2Å
746	V	34.2	Very low	39.9	Very low	139 Å²	139	139 Å²	139	84%	0.842	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-62	122.1	174.1	179.4	0	0	0	0	110.8
747	L	37.4	Very low	39.6	Very low	172 Å²	172	141.3 Å²	141.3	90%	0.901	78%	0.775	S	S	*	*			trans	-117.6	136.6	156.8	-164.1	68.2	0	0	0	108.7	P745	P745-L747 PolarHBondContact O-N 3.2Å
748	S	32.4	Very low	39.4	Very low	88 Å²	88	144.9 Å²	144.9	62%	0.615	79%	0.79	S	S	*	*			trans	-111.7	175.6	-166.1	55.5	0	0	0	0	113.2
749	T	35.7	Very low	39.1	Very low	122 Å²	122	145.8 Å²	145.8	75%	0.748	78%	0.782	S	S	*	*			trans	75.1	98	168.6	61.9	0	0	0	0	117.9
750	S	33.1	Very low	38.3	Very low	98 Å²	98	143.3 Å²	143.3	69%	0.685	78%	0.775	S	S	*	*				33.8	129.4	126.4	59.3	0	0	0	0	120.5
751	Y	37.1	Very low	37.8	Very low	220 Å²	220	141.3 Å²	141.3	86%	0.863	78%	0.776	S	S	*	*				-156.6	168.8	101.3	-122.4	-92.2	0	0	0	111.3
752	E	38	Very low	37.4	Very low	164 Å²	164	143.4 Å²	143.4	77%	0.766	78%	0.781	S	S	*	*			trans	-88.1	160	-176.4	-62.6	167.1	131.5	0	0	113.1
753	D	36.2	Very low	36.9	Very low	144 Å²	144	144.7 Å²	144.7	77%	0.77	79%	0.786	S	S	*	*			trans	46.4	135.8	158.2	-67	-10.9	0	0	0	121.5
754	Y	38.6	Very low	36.5	Very low	231 Å²	231	146.3 Å²	146.3	91%	0.906	78%	0.784	S	S	*	*				-170.6	151.7	103.3	-111.6	-83.4	0	0	0	111.9
755	I	35.5	Very low	36.3	Very low	154 Å²	154	144 Å²	144	79%	0.79	78%	0.784	S	S	*	*			trans	-92.2	143.6	174.3	-61.4	167.4	0	0	0	109.1
756	G	37.1	Very low	36.1	Very low	71 Å²	71	144 Å²	144	73%	0.732	79%	0.787	S	S	*	*			trans	-175.5	126.2	172.1	0	0	0	0	0	113.2
757	D	38.4	Very low	36	Very low	142 Å²	142	145.1 Å²	145.1	76%	0.759	79%	0.787	S	S	*	*			trans	-93.7	152	-161.9	-46.4	-72.2	0	0	0	116
758	D	40.2	Very low	36	Very low	156 Å²	156	146.6 Å²	146.6	83%	0.834	79%	0.786	S	S	*	*			trans	73.9	162.5	135.8	-103.2	-34.5	0	0	0	125.6
759	E	40	Very low	36.1	Very low	156 Å²	156	150.8 Å²	150.8	73%	0.729	80%	0.796	S	S	*	*			trans	79.1	91.6	158.4	-68	-106.3	152.9	0	0	122.1
760	N	36.3	Very low	36.2	Very low	129 Å²	129	149.9 Å²	149.9	69%	0.69	79%	0.792	S	S	*	*				83.1	156.1	117.1	-74.9	-41.3	0	0	0	125.2
761	V	36.7	Very low	36.2	Very low	127 Å²	127	152.3 Å²	152.3	77%	0.77	80%	0.796	S	S	*	*			trans	82.5	69.8	161.5	-152.7	0	0	0	0	121.3
762	N	30.8	Very low	36.1	Very low	142 Å²	142	145.7 Å²	145.7	76%	0.759	79%	0.787	S	S	*	*				35.5	117.3	109.4	-172	24.5	0	0	0	121
763	V	35.7	Very low	36	Very low	142 Å²	142	146 Å²	146	86%	0.861	79%	0.794	S	S	*	*			trans	-140	146.9	158.7	-178.7	0	0	0	0	111.2
764	Q	34.3	Very low	36.1	Very low	175 Å²	175	142.6 Å²	142.6	82%	0.818	79%	0.793	S	S	*	*			trans	-86.8	162.6	-168.7	-77.6	-178.7	-78.7	0	0	116.7
765	P	35.6	Very low	36	Very low	128 Å²	128	141.4 Å²	141.4	83%	0.831	79%	0.792	S	S	*	*			trans	-89.9	166.1	-177.6	36.9	-37.8	0	0	0	114.9
766	S	34.6	Very low	36	Very low	124 Å²	124	141 Å²	141	87%	0.867	79%	0.791	S	S	*	*			trans	-137.9	130.4	173.2	65.8	0	0	0	0	114.2
767	I	32.4	Very low	36	Very low	163 Å²	163	145.7 Å²	145.7	84%	0.836	80%	0.8	S	S	*	*			trans	-74.5	147.8	-173.4	-64.7	156.1	0	0	0	113.5
768	K	36.7	Very low	35.9	Very low	203 Å²	203	145 Å²	145	88%	0.883	80%	0.8	S	S	*	*			trans	-160.7	120.7	148.1	-110.9	162.2	-172.4	175.5	0	114.5
769	Q	34.5	Very low	35.9	Very low	175 Å²	175	142.9 Å²	142.9	82%	0.818	80%	0.798	S	S	*	*			trans	-97.7	-161.4	150.6	-57.3	-173.1	-30.3	0	0	107.5
770	P	37.6	Very low	35.9	Very low	104 Å²	104	144.2 Å²	144.2	68%	0.675	80%	0.804	S	S	*	*			cis	-141.1	-157.6	-5.7	26.8	1.6	0	0	0	114.9
771	I	33.8	Very low	36.1	Very low	149 Å²	149	151.2 Å²	151.2	76%	0.764	83%	0.828	S	S	*	*			trans	82.8	101.3	156.7	-50.5	177.6	0	0	0	116.3
772	A	36	Very low	36	Very low	81 Å²	81	152.5 Å²	152.5	67%	0.669	83%	0.831	S	S	*	*			cis	102.2	152.1	49.7	0	0	0	0	0	115.8
773	N	35.8	Very low	36.3	Very low	170 Å²	170	153 Å²	153	91%	0.909	84%	0.835	S	S	*	*			trans	84.2	134.8	156.3	-63.7	-28.6	0	0	0	122.3
774	G	37.5	Very low	36.3	Very low	73 Å²	73	153.6 Å²	153.6	75%	0.753	83%	0.833	S	S	*	*			trans	149.5	53.9	175.5	0	0	0	0	0	112.7
775	K	36.9	Very low	36.5	Very low	205 Å²	205	152.4 Å²	152.4	89%	0.891	83%	0.834	S	S	*	*				78.3	131.3	83.2	-156.5	178	-172.1	-177.2	0	113.5
776	L	34.8	Very low	36.5	Very low	147 Å²	147	153.9 Å²	153.9	77%	0.77	84%	0.835	S	S	*	*			trans	-62.3	157.6	-170.3	-71.9	67.4	0	0	0	114.4
777	N	37.9	Very low	36.6	Very low	169 Å²	169	155.9 Å²	155.9	90%	0.904	83%	0.832	S	S	*	*				-150.1	141.7	127.3	-114	-12.7	0	0	0	112.3
778	T	36.3	Very low	36.9	Very low	126 Å²	126	155.4 Å²	155.4	77%	0.773	83%	0.832	S	S	*	*			trans	-113.7	136.5	-179.9	48.8	0	0	0	0	110.6
779	S	39.6	Very low	37	Very low	113 Å²	113	151.7 Å²	151.7	79%	0.79	83%	0.828	S	S	*	*			trans	-157.5	137.4	152.9	-165.6	0	0	0	0	112.5
780	H	40.9	Very low	37.2	Very low	183 Å²	183	149.8 Å²	149.8	85%	0.847	83%	0.829	S	S	*	*			trans	-26.3	140.8	175.4	-62.1	-88.4	0	0	0	118.9
781	K	38.7	Very low	37.1	Very low	277 Å²	277	153.9 Å²	153.9	100%	1.204	84%	0.843	S	S	*	*				-134.9	0	110.8	-151.6	172.8	-173.3	179.4	0	110.5

Retrieved 781 of 781 residues in 211.5 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).