A0A077Z2K9_TRITR Loading...

Semaphorin-2A

AlphaFold DB , UniProt , Accession A0A077Z2K9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 706 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	54.2	Low	243 Å²	243	115.4 Å²	115.4	100%	1.197	63%	0.629	S	S	*	*				0	92.9	0	-71.1	-178.8	168.6	0	0	107.8	S3	M1-S3 PolarHBondContact O-N 2.84Å
2	L	43.2	Very low	54.2	Low	154 Å²	154	113.8 Å²	113.8	81%	0.806	62%	0.618	S	S	*	*			trans	-70.4	122	174.4	-80.8	146.8	0	0	0	107.3
3	S	58.8	Low	53.9	Low	65 Å²	65	111.7 Å²	111.7	46%	0.455	61%	0.606	S	S	.	*			trans	-54.1	152.4	176.1	54	0	0	0	0	110.3	M1 T5 G6	M1-S3 PolarHBondContact O-N 2.84Å; S3-T5 PolarHBondContact O-N 2.97Å; S3-T5 PolarHBondContact OG-OG1 2.89Å; S3-G6 PolarHBondContact O-N 3.25Å
4	P	54.5	Low	53.8	Low	116 Å²	116	108.2 Å²	108.2	75%	0.753	59%	0.594	S	S	*	*	H	α-helix	trans	-54.7	-20.5	-177.4	16.3	-29.1	0	0	0	114.1
5	T	56.1	Low	53.4	Low	94 Å²	94	114.7 Å²	114.7	58%	0.577	61%	0.606	S	S	*	*	H	α-helix	trans	-65.9	-34.9	171.9	51	0	0	0	0	113.9	S3 L8 W9	S3-T5 PolarHBondContact O-N 2.97Å; S3-T5 PolarHBondContact OG-OG1 2.89Å; T5-L8 PolarHBondContact O-N 2.78Å; T5-W9 PolarHBondContact O-N 2.83Å
6	G	51.5	Low	52.8	Low	20 Å²	20	113.8 Å²	113.8	21%	0.206	60%	0.601	C	S	.	*	H	α-helix	trans	-70.7	-35.5	-179	0	0	0	0	0	113.3	S3 L8 W9 L10	S3-G6 PolarHBondContact O-N 3.25Å; G6-L8 VanDerWaalsContact C-N 3.34Å; G6-W9 PolarHBondContact O-N 2.78Å; G6-L10 PolarHBondContact O-N 3.09Å
7	A	56.7	Low	52.2	Low	55 Å²	55	113.8 Å²	113.8	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-67.2	-36.1	175.7	0	0	0	0	0	112	L10 L11	A7-L10 PolarHBondContact O-N 3.18Å; A7-L11 PolarHBondContact O-N 2.87Å
8	L	59.3	Low	51.3	Low	112 Å²	112	109.9 Å²	109.9	59%	0.586	59%	0.592	S	S	*	*	H	α-helix	trans	-66.4	-38.9	177.1	-138.4	90	0	0	0	111.8	T5 G6 L11 L12	T5-L8 PolarHBondContact O-N 2.78Å; G6-L8 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 2.88Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 2.8Å
9	W	56.4	Low	50.7	Low	183 Å²	183	108.6 Å²	108.6	69%	0.693	60%	0.598	S	S	*	*	H	α-helix	trans	-65.6	-39.7	175.7	-92.8	84.2	0	0	0	112.6	T5 G6 L12 L13	T5-W9 PolarHBondContact O-N 2.83Å; G6-W9 PolarHBondContact O-N 2.78Å; W9-L12 PolarHBondContact O-N 3.29Å; W9-L13 HydrophobicContact CE3-CD1 4.02Å; W9-L13 WeakPolarHBondContact O-CB 3.44Å; W9-L13 WeakPolarHBondContact O-CD1 3.36Å; W9-L13 PolarHBondContact O-N 2.74Å
10	L	57.6	Low	50	Low	117 Å²	117	113.7 Å²	113.7	61%	0.613	61%	0.608	S	S	*	*	H	α-helix	trans	-65.3	-39	174.6	-84.6	154.8	0	0	0	112.3	G6 A7 L13 S14	G6-L10 PolarHBondContact O-N 3.09Å; A7-L10 PolarHBondContact O-N 3.18Å; L10-L13 PolarHBondContact O-N 2.91Å; L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 2.94Å
11	L	57.8	Low	49.3	Very low	110 Å²	110	112.2 Å²	112.2	58%	0.576	61%	0.607	S	S	*	*	H	α-helix	trans	-67.5	-41.4	175.3	-77.6	163.8	0	0	0	112	A7 L8 S14 R15	A7-L11 PolarHBondContact O-N 2.87Å; L8-L11 PolarHBondContact O-N 2.88Å; L11-S14 WeakPolarHBondContact CA-OG 3.46Å; L11-S14 PolarHBondContact O-N 2.98Å; L11-S14 PolarHBondContact O-OG 2.95Å; L11-R15 PolarHBondContact O-N 3.36Å
12	L	54.3	Low	49.2	Very low	96 Å²	96	108.3 Å²	108.3	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-64.7	-41.7	174	-95.3	147.8	0	0	0	112	L8 W9 S14 R15 L16	L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 2.8Å; W9-L12 PolarHBondContact O-N 3.29Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-R15 PolarHBondContact O-N 3.47Å; L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.21Å
13	L	50.8	Low	49.2	Very low	87 Å²	87	109.7 Å²	109.7	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-62.5	-41.9	171.7	-104.2	102	0	0	0	111.2	W9 L10 R15 L16 I17	W9-L13 HydrophobicContact CE3-CD1 4.02Å; W9-L13 WeakPolarHBondContact O-CB 3.44Å; W9-L13 WeakPolarHBondContact O-CD1 3.36Å; W9-L13 PolarHBondContact O-N 2.74Å; L10-L13 PolarHBondContact O-N 2.91Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 2.84Å; L13-L16 PolarHBondContact O-N 3.09Å; L13-I17 HydrophobicContact CB-CD1 4.4Å; L13-I17 HydrophobicContact CD2-CD1 4.26Å; L13-I17 VanDerWaalsContact O-CB 3.28Å; L13-I17 WeakPolarHBondContact O-CB 3.2Å; L13-I17 WeakPolarHBondContact O-CD1 3.4Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.06Å
14	S	52.2	Low	48.5	Very low	63 Å²	63	110.3 Å²	110.3	44%	0.441	58%	0.584	S	S	.	*	H	α-helix	trans	-65.3	-32.5	177.6	76.5	0	0	0	0	112.7	L10 L11 L12 G18	L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 2.94Å; L11-S14 WeakPolarHBondContact CA-OG 3.46Å; L11-S14 PolarHBondContact O-N 2.98Å; L11-S14 PolarHBondContact O-OG 2.95Å; L12-S14 VanDerWaalsContact C-N 3.35Å; S14-G18 WeakPolarHBondContact O-CA 3.17Å; S14-G18 PolarHBondContact O-N 3.29Å
15	R	48.4	Very low	48.6	Very low	205 Å²	205	108 Å²	108	77%	0.774	57%	0.567	S	S	*	*	H	α-helix	trans	-78.3	-32	173.7	-79.7	-164.3	175.8	-152.3	0.7	112.9	L11 L12 L13 G18 A19	L11-R15 PolarHBondContact O-N 3.36Å; L12-R15 PolarHBondContact O-N 3.47Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 2.84Å; R15-G18 CarbonylContact O-C 3.5Å; R15-G18 PolarHBondContact O-N 3.03Å; R15-A19 WeakPolarHBondContact O-CB 3.38Å; R15-A19 PolarHBondContact O-N 3.47Å
16	L	43.5	Very low	49.1	Very low	100 Å²	100	109.7 Å²	109.7	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-70.8	-41.7	172.1	-87.1	155.3	0	0	0	110.9	L12 L13 G18 A19 W20	L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.21Å; L13-L16 PolarHBondContact O-N 3.09Å; L16-G18 VanDerWaalsContact C-N 3.31Å; L16-A19 PolarHBondContact O-N 2.03Å; L16-W20 VanDerWaalsContact O-CB 3.23Å; L16-W20 WeakPolarHBondContact O-CB 3.31Å; L16-W20 VanDerWaalsContact O-CD1 3.26Å; L16-W20 PolarHBondContact O-N 2.67Å
17	I	41.7	Very low	50.6	Low	114 Å²	114	109 Å²	109	59%	0.585	56%	0.558	S	S	*	*	H	α-helix	trans	-69.1	-32.3	172.4	-62.3	162.2	0	0	0	110.5	L13 W20 S21	L13-I17 HydrophobicContact CB-CD1 4.4Å; L13-I17 HydrophobicContact CD2-CD1 4.26Å; L13-I17 VanDerWaalsContact O-CB 3.28Å; L13-I17 WeakPolarHBondContact O-CB 3.2Å; L13-I17 WeakPolarHBondContact O-CD1 3.4Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.06Å; I17-W20 CarbonylContact O-C 3.51Å; I17-S21 PolarHBondContact O-N 3.25Å
18	G	36.8	Very low	52	Low	45 Å²	45	108.1 Å²	108.1	46%	0.464	55%	0.547	S	S	.	.	H	α-helix	trans	-78.1	-25.5	175.3	0	0	0	0	0	114	S14 R15 L16 S21	S14-G18 WeakPolarHBondContact O-CA 3.17Å; S14-G18 PolarHBondContact O-N 3.29Å; R15-G18 CarbonylContact O-C 3.5Å; R15-G18 PolarHBondContact O-N 3.03Å; L16-G18 VanDerWaalsContact C-N 3.31Å; G18-S21 WeakPolarHBondContact O-CB 3.08Å; G18-S21 PolarHBondContact O-N 3.39Å
19	A	39.1	Very low	53.4	Low	85 Å²	85	105.1 Å²	105.1	70%	0.702	53%	0.532	S	S	*	.	H	α-helix	trans	-84.9	-29.8	170.6	0	0	0	0	0	111.3	R15 L16 S21	R15-A19 WeakPolarHBondContact O-CB 3.38Å; R15-A19 PolarHBondContact O-N 3.47Å; L16-A19 PolarHBondContact O-N 2.03Å; A19-S21 PolarHBondContact O-N 3.03Å
20	W	36.6	Very low	55	Low	209 Å²	209	98.1 Å²	98.1	79%	0.792	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	21.9	159.1	-74	57.7	0	0	0	111.4	L16 I17 H22	L16-W20 VanDerWaalsContact O-CB 3.23Å; L16-W20 WeakPolarHBondContact O-CB 3.31Å; L16-W20 VanDerWaalsContact O-CD1 3.26Å; L16-W20 PolarHBondContact O-N 2.67Å; I17-W20 CarbonylContact O-C 3.51Å; W20-H22 PolarHBondContact O-N 3.31Å
21	S	36.5	Very low	56.7	Low	84 Å²	84	97.5 Å²	97.5	59%	0.587	51%	0.513	S	S	*	.			trans	-56.8	94.7	159.2	161.4	0	0	0	0	104.1	I17 G18 A19 R23	I17-S21 PolarHBondContact O-N 3.25Å; G18-S21 WeakPolarHBondContact O-CB 3.08Å; G18-S21 PolarHBondContact O-N 3.39Å; A19-S21 PolarHBondContact O-N 3.03Å; S21-R23 PolarHBondContact O-N 3.4Å
22	H	40.8	Very low	58.5	Low	160 Å²	160	94.6 Å²	94.6	74%	0.741	50%	0.501	S	S	*	.			trans	-19.6	123.7	167	-82.6	-98.8	0	0	0	107.8	W20 S24	W20-H22 PolarHBondContact O-N 3.31Å; H22-S24 PolarHBondContact O-N 3.29Å
23	R	43.7	Very low	60.4	Low	184 Å²	184	92.6 Å²	92.6	69%	0.694	49%	0.493	S	S	*	.			trans	-52.9	81.8	134.5	-91.4	-177.8	171.6	-154.2	-2.3	104.1	S21 T25	S21-R23 PolarHBondContact O-N 3.4Å; R23-T25 VanDerWaalsContact C-N 3.27Å; R23-T25 PolarHBondContact O-N 3.42Å
24	S	45.1	Very low	62.5	Low	77 Å²	77	89.5 Å²	89.5	54%	0.538	48%	0.476	S	S	.	.			trans	-59.5	108.3	173.2	171.2	0	0	0	0	100.4	H22 K26	H22-S24 PolarHBondContact O-N 3.29Å; S24-K26 PolarHBondContact O-N 3.25Å
25	T	55.3	Low	64.5	Low	67 Å²	67	91.7 Å²	91.7	41%	0.411	49%	0.487	S	S	.	.			trans	-70.6	74.2	-178.9	49.8	0	0	0	0	105.7	R23 N27 V28	R23-T25 VanDerWaalsContact C-N 3.27Å; R23-T25 PolarHBondContact O-N 3.42Å; T25-N27 VanDerWaalsContact C-OD1 3.3Å; T25-N27 WeakPolarHBondContact CA-OD1 3.44Å; T25-N27 PolarHBondContact O-N 2.91Å; T25-V28 VanDerWaalsContact CB-CG2 3.41Å; T25-V28 HydrophobicContact CG2-CG2 4.17Å; T25-V28 PolarHBondContact O-N 3.01Å; T25-V28 WeakPolarHBondContact OG1-CG2 3.31Å
26	K	67.8	Low	66.6	Low	131 Å²	131	83.1 Å²	83.1	57%	0.57	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-11.9	-175.7	-74.8	-173.3	176.2	-174.6	0	111.9	S24 L30	S24-K26 PolarHBondContact O-N 3.25Å; K26-L30 WeakPolarHBondContact O-CD2 3.41Å
27	N	82.1	Confident	68.9	Low	4 Å²	4	82.5 Å²	82.5	2%	0.021	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	5.5	-179.3	59	-30.3	0	0	0	114.5	T25 P404 L405 V407 V456	T25-N27 VanDerWaalsContact C-OD1 3.3Å; T25-N27 WeakPolarHBondContact CA-OD1 3.44Å; T25-N27 PolarHBondContact O-N 2.91Å; N27-P404 PolarHBondContact ND2-O 2.87Å; N27-L405 WeakPolarHBondContact CB-O 3.48Å; N27-V407 PolarHBondContact O-N 3.22Å; N27-V456 HydrophobicContact CB-CG1 3.87Å
28	V	85.9	Confident	71	Confident	37 Å²	37	77.1 Å²	77.1	22%	0.224	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-99.7	131.2	177	174.1	0	0	0	0	110.1	T25 L30 V407	T25-V28 VanDerWaalsContact CB-CG2 3.41Å; T25-V28 HydrophobicContact CG2-CG2 4.17Å; T25-V28 PolarHBondContact O-N 3.01Å; T25-V28 WeakPolarHBondContact OG1-CG2 3.31Å; V28-L30 VanDerWaalsContact C-N 3.3Å; V28-L30 PolarHBondContact O-N 3.12Å; V28-V407 CarbonylContact C-O 3.59Å; V28-V407 VanDerWaalsContact CA-O 3.3Å; V28-V407 WeakPolarHBondContact CA-O 3.14Å; V28-V407 HydrophobicContact CB-CB 4.43Å; V28-V407 HydrophobicContact CG1-CG1 4.37Å; V28-V407 HydrophobicContact CG2-CB 3.74Å; V28-V407 HydrophobicContact CG2-CG1 3.9Å; V28-V407 HydrophobicContact CG2-CG2 4.36Å
29	N	88.8	Confident	73.3	Confident	50 Å²	50	76.9 Å²	76.9	27%	0.267	43%	0.432	S	S	.	.	S	Bend	trans	48.5	51.3	176.8	-60.6	-26.5	0	0	0	112.6	S31 V407 T409 N410	N29-S31 PolarHBondContact O-N 3.41Å; N29-V407 PolarHBondContact N-O 2.86Å; N29-T409 PolarHBondContact ND2-OG1 3.28Å; N29-T409 PolarHBondContact OD1-N 3.3Å; N29-T409 PolarHBondContact OD1-OG1 3.21Å; N29-N410 PolarHBondContact OD1-N 3.39Å; N29-N410 PolarHBondContact OD1-OD1 3.12Å
30	L	90	Very high	75.5	Confident	35 Å²	35	80.4 Å²	80.4	18%	0.183	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-56.3	132.1	177.8	-69.8	171.1	0	0	0	110.3	K26 V28 F447 T458 L460	K26-L30 WeakPolarHBondContact O-CD2 3.41Å; V28-L30 VanDerWaalsContact C-N 3.3Å; V28-L30 PolarHBondContact O-N 3.12Å; L30-F447 HydrophobicContact CD1-CD1 3.94Å; L30-F447 HydrophobicContact CD1-CE1 3.82Å; L30-T458 HydrophobicContact CD1-CG2 3.97Å; L30-T458 WeakPolarHBondContact CD1-O 3.44Å; L30-T458 VanDerWaalsContact CD2-O 3.3Å; L30-T458 WeakPolarHBondContact CD2-O 3.44Å; L30-L460 HydrophobicContact CB-CB 3.73Å; L30-L460 HydrophobicContact CB-CD2 4.34Å; L30-L460 HydrophobicContact CD1-CB 4.35Å; L30-L460 WeakPolarHBondContact O-CD2 3.36Å
31	S	93.1	Very high	77.9	Confident	104 Å²	104	73.1 Å²	73.1	73%	0.727	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-81.7	133.4	170.2	-63.4	0	0	0	0	109.3	N29	N29-S31 PolarHBondContact O-N 3.41Å
32	P	95.2	Very high	80.4	Confident	49 Å²	49	71.1 Å²	71.1	32%	0.318	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-68.6	136.9	179.1	27.3	-33.3	0	0	0	111.4	Q34 L460	P32-Q34 PolarHBondContact O-N 2.81Å; P32-L460 WeakPolarHBondContact CA-O 3.48Å; P32-L460 HydrophobicContact CB-CD2 3.79Å; P32-L460 HydrophobicContact CB-CG 3.84Å; P32-L460 HydrophobicContact CG-CD2 4.36Å
33	V	95	Very high	82.9	Confident	54 Å²	54	66.6 Å²	66.6	33%	0.327	39%	0.389	S	S	.	.	S	Bend	trans	-62.2	-34.4	172.1	170.6	0	0	0	0	110.6	V459 L460 V461 Q518	V33-V459 HydrophobicContact CG2-CG1 3.93Å; V33-L460 PolarHBondContact N-O 3.26Å; V33-V461 WeakPolarHBondContact CB-O 3.05Å; V33-Q518 WeakPolarHBondContact CG1-O 3.29Å
34	Q	94.2	Very high	85.3	Confident	23 Å²	23	63.1 Å²	63.1	11%	0.107	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	151.8	169.8	66.7	-178.5	-8.3	0	0	112.9	P32 I36 V461 E462 T463 L519	P32-Q34 PolarHBondContact O-N 2.81Å; Q34-I36 HydrophobicContact CG-CD1 4.35Å; Q34-I36 HydrophobicContact CG-CG1 4.31Å; Q34-V461 PolarHBondContact N-O 3.02Å; Q34-E462 HydrophobicContact CG-CB 3.56Å; Q34-E462 PolarHBondContact NE2-OE2 2.87Å; Q34-E462 CarbonylContact O-C 3.53Å; Q34-E462 WeakPolarHBondContact O-CA 3.5Å; Q34-T463 PolarHBondContact O-N 3.43Å; Q34-L519 VanDerWaalsContact CD-CD2 3.44Å; Q34-L519 HydrophobicContact CG-CD2 4.39Å; Q34-L519 VanDerWaalsContact OE1-CD2 3.23Å
35	T	94.9	Very high	87.6	Confident	108 Å²	108	60.9 Å²	60.9	66%	0.663	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.2	172.5	-56.1	0	0	0	0	109.2	T463	T35-T463 CarbonylContact C-O 3.56Å; T35-T463 WeakPolarHBondContact CA-O 3.43Å
36	I	92.6	Very high	89.4	Confident	25 Å²	25	58.7 Å²	58.7	13%	0.128	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.8	-173.4	-57	-179	0	0	0	110	Q34 G38 L41 E462 T463 V464 G465 H506	Q34-I36 HydrophobicContact CG-CD1 4.35Å; Q34-I36 HydrophobicContact CG-CG1 4.31Å; I36-G38 PolarHBondContact O-N 2.84Å; I36-L41 HydrophobicContact CG2-CD1 3.41Å; I36-L41 VanDerWaalsContact CG2-CD1 3.41Å; I36-E462 HydrophobicContact CD1-CB 4.41Å; I36-E462 VanDerWaalsContact CD1-OE2 3.28Å; I36-E462 WeakPolarHBondContact CD1-OE2 3.41Å; I36-T463 PolarHBondContact N-O 2.91Å; I36-V464 HydrophobicContact CB-CG1 4.41Å; I36-V464 HydrophobicContact CB-CG2 4.17Å; I36-V464 HydrophobicContact CD1-CG2 4.48Å; I36-V464 HydrophobicContact CG2-CG1 4.41Å; I36-V464 WeakPolarHBondContact O-CA 3.41Å; I36-G465 PolarHBondContact O-N 2.76Å; I36-H506 HydrophobicContact CD1-CB 3.65Å; I36-H506 WeakPolarHBondContact CD1-ND1 3.48Å
37	A	91.2	Very high	90.5	Very high	88 Å²	88	54.1 Å²	54.1	73%	0.727	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	99.1	168	0	0	0	0	0	109.5	A39	A37-A39 VanDerWaalsContact C-N 3.34Å; A37-A39 PolarHBondContact O-N 2.96Å
38	G	86.3	Confident	90.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.368	C	S	.	.			trans	-79.4	-7.9	-174.7	0	0	0	0	0	115.6	I36 N40 L41 G465	I36-G38 PolarHBondContact O-N 2.84Å; G38-N40 VanDerWaalsContact C-N 3.28Å; G38-N40 PolarHBondContact O-N 3.42Å; G38-N40 VanDerWaalsContact O-N 3.14Å; G38-L41 PolarHBondContact O-N 3.46Å; G38-G465 WeakPolarHBondContact CA-O 3.19Å; G38-G465 PolarHBondContact N-O 3.41Å
39	A	84.6	Confident	90.4	Very high	41 Å²	41	63.7 Å²	63.7	34%	0.339	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-44.6	-173.4	0	0	0	0	0	113.3	A37 P468 K500	A37-A39 VanDerWaalsContact C-N 3.34Å; A37-A39 PolarHBondContact O-N 2.96Å; A39-P468 HydrophobicContact CB-CG 3.96Å; A39-K500 PolarHBondContact O-NZ 3.28Å
40	N	85	Confident	89.6	Confident	158 Å²	158	69.7 Å²	69.7	85%	0.845	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	4.3	-177.6	-63.5	-25.9	0	0	0	114	G38	G38-N40 VanDerWaalsContact C-N 3.28Å; G38-N40 PolarHBondContact O-N 3.42Å; G38-N40 VanDerWaalsContact O-N 3.14Å
41	L	87.1	Confident	89	Confident	56 Å²	56	78.3 Å²	78.3	29%	0.293	43%	0.428	S	S	.	.	S	Bend	trans	-92.1	143.1	-178.5	-63.3	-178.4	0	0	0	110.8	I36 G38 K500	I36-L41 HydrophobicContact CG2-CD1 3.41Å; I36-L41 VanDerWaalsContact CG2-CD1 3.41Å; G38-L41 PolarHBondContact O-N 3.46Å; L41-K500 WeakPolarHBondContact O-CE 3.31Å; L41-K500 PolarHBondContact O-NZ 3.12Å
42	G	90.2	Very high	88.5	Confident	43 Å²	43	75 Å²	75	44%	0.443	40%	0.402	S	S	.	.	S	Bend	trans	67.4	-171.3	174.3	0	0	0	0	0	114.9	L501	G42-L501 CarbonylContact C-O 3.53Å; G42-L501 VanDerWaalsContact CA-O 3.23Å; G42-L501 WeakPolarHBondContact CA-O 3.28Å
43	L	92.9	Very high	88.3	Confident	65 Å²	65	75.6 Å²	75.6	34%	0.34	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	150.8	-178.6	-55.7	174.1	0	0	0	110.4	S80 M82 K500 L501	L43-S80 WeakPolarHBondContact CD1-O 3.48Å; L43-M82 HydrophobicContact CB-CB 3.84Å; L43-M82 HydrophobicContact CB-CG 3.22Å; L43-M82 HydrophobicContact CD1-CG 4.12Å; L43-M82 HydrophobicContact CG-CG 4.31Å; L43-K500 WeakPolarHBondContact O-CA 3.38Å; L43-L501 HydrophobicContact CB-CB 4.48Å; L43-L501 PolarHBondContact N-O 3.25Å; L43-L501 PolarHBondContact O-N 2.78Å
44	Y	93.2	Very high	88.3	Confident	110 Å²	110	73 Å²	73	43%	0.431	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.7	-172.9	172.7	-106.5	0	0	0	110.7	A46 F467 E498 L499 K500	Y44-A46 HydrophobicContact CE1-CB 3.81Å; Y44-A46 HydrophobicContact CE2-CB 4.41Å; Y44-A46 VanDerWaalsContact OH-CB 3.29Å; Y44-A46 WeakPolarHBondContact OH-CB 3.18Å; Y44-F467 HydrophobicContact CD2-CD1 4.38Å; Y44-F467 HydrophobicContact CD2-CE1 4.12Å; Y44-F467 AromaticContact CE2-CD1 3.96Å; Y44-F467 HydrophobicContact CE2-CD1 3.96Å; Y44-F467 AromaticContact CE2-CE1 3.96Å; Y44-F467 HydrophobicContact CE2-CE1 3.96Å; Y44-E498 HydrophobicContact CE2-CB 4.12Å; Y44-E498 HydrophobicContact CE2-CG 4.22Å; Y44-E498 PolarHBondContact OH-OE1 2.95Å; Y44-L499 WeakPolarHBondContact CA-O 3.49Å; Y44-L499 WeakPolarHBondContact CD2-O 3.08Å; Y44-K500 HydrophobicContact CD2-CD 4Å
45	F	94.4	Very high	88.4	Confident	30 Å²	30	73 Å²	73	13%	0.132	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.6	171.4	173.8	-93.4	0	0	0	108.8	F56 L75 I77 M82 V84 E498 L499	F45-F56 AromaticContact CD1-CE2 3.89Å; F45-F56 HydrophobicContact CD1-CE2 3.89Å; F45-F56 HydrophobicContact CD1-CZ 4.14Å; F45-F56 AromaticContact CE1-CE2 3.8Å; F45-F56 HydrophobicContact CE1-CE2 3.8Å; F45-F56 AromaticContact CE1-CZ 3.57Å; F45-F56 HydrophobicContact CE1-CZ 3.57Å; F45-L75 HydrophobicContact CE1-CD1 3.99Å; F45-L75 HydrophobicContact CZ-CD1 3.8Å; F45-I77 HydrophobicContact CD1-CD1 3.71Å; F45-I77 HydrophobicContact CE1-CD1 3.66Å; F45-I77 HydrophobicContact CG-CD1 4.15Å; F45-I77 HydrophobicContact CZ-CD1 4.12Å; F45-M82 HydrophobicContact CB-CB 4.3Å; F45-M82 HydrophobicContact CB-SD 4.5Å; F45-V84 HydrophobicContact CE2-CG2 3.58Å; F45-V84 HydrophobicContact CZ-CG2 3.85Å; F45-E498 CarbonylContact O-C 3.43Å; F45-L499 HydrophobicContact CB-CB 4.26Å; F45-L499 HydrophobicContact CD1-CD1 3.79Å; F45-L499 HydrophobicContact CD1-CG 4.25Å; F45-L499 PolarHBondContact N-O 3.4Å; F45-L499 PolarHBondContact O-N 3.4Å
46	A	93.2	Very high	88.5	Confident	22 Å²	22	68 Å²	68	18%	0.182	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154	178	0	0	0	0	0	110	Y44 S497 E498	Y44-A46 HydrophobicContact CE1-CB 3.81Å; Y44-A46 HydrophobicContact CE2-CB 4.41Å; Y44-A46 VanDerWaalsContact OH-CB 3.29Å; Y44-A46 WeakPolarHBondContact OH-CB 3.18Å; A46-S497 WeakPolarHBondContact CA-O 3.36Å; A46-E498 HydrophobicContact CB-CG 4.43Å
47	D	90.4	Very high	88.8	Confident	34 Å²	34	70.1 Å²	70.1	18%	0.182	37%	0.367	C	S	.	.			trans	-60.4	138.7	168	-169.7	49	0	0	0	111	D49 A54 F56 S497	D47-D49 PolarHBondContact OD2-N 2.82Å; D47-A54 HydrophobicContact CB-CB 3.79Å; D47-F56 HydrophobicContact CB-CE1 4.03Å; D47-F56 HydrophobicContact CB-CZ 3.77Å; D47-S497 PolarHBondContact N-O 3.35Å
48	Q	84.7	Confident	89.1	Confident	186 Å²	186	66.7 Å²	66.7	87%	0.869	34%	0.337	S	S	*	.	S	Bend	trans	-80.6	-25.5	-178	-66.5	-165.9	-5.4	0	0	112.1	Q50	Q48-Q50 PolarHBondContact O-N 2.72Å
49	D	81.3	Confident	89.7	Confident	57 Å²	57	68 Å²	68	31%	0.305	34%	0.344	S	S	.	.			trans	-93.8	79.7	179.6	-169.6	16.2	0	0	0	111.2	D47 R51 D52 R71	D47-D49 PolarHBondContact OD2-N 2.82Å; D49-R51 PolarHBondContact O-N 3.03Å; D49-R51 IonicContact OD1-NE 2.86Å; D49-D52 PolarHBondContact O-N 3.14Å; D49-R71 IonicContact OD2-NH1 3.58Å; D49-R71 PolarHBondContact OD2-NH1 2.96Å
50	Q	72.3	Confident	90.2	Very high	175 Å²	175	67.3 Å²	67.3	82%	0.818	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-3.4	-176.6	-62.5	-166	-9.7	0	0	115.2	Q48	Q48-Q50 PolarHBondContact O-N 2.72Å
51	R	76.3	Confident	90.6	Very high	217 Å²	217	62.2 Å²	62.2	82%	0.819	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-35.3	179.9	-80	-178.6	-80.2	-167.4	-6	112.1	D49	D49-R51 PolarHBondContact O-N 3.03Å; D49-R51 IonicContact OD1-NE 2.86Å
52	D	83.5	Confident	90.7	Very high	34 Å²	34	62.2 Å²	62.2	18%	0.182	31%	0.31	C	S	.	.	S	Bend	trans	-131	162.2	-173.8	-58	-17.6	0	0	0	112.4	D49 A54 R71	D49-D52 PolarHBondContact O-N 3.14Å; D52-A54 PolarHBondContact O-N 3.09Å; D52-R71 VanDerWaalsContact CB-CZ 3.46Å; D52-R71 VanDerWaalsContact CG-NH2 3.33Å; D52-R71 IonicContact OD2-CZ 2.89Å; D52-R71 VanDerWaalsContact OD2-CZ 3.25Å; D52-R71 IonicContact OD2-NH1 3.78Å; D52-R71 PolarHBondContact OD2-NH1 3.4Å; D52-R71 IonicContact OD2-NH2 3.31Å; D52-R71 PolarHBondContact OD2-NH2 3.12Å
53	T	91.1	Very high	90.3	Very high	61 Å²	61	70.6 Å²	70.6	37%	0.374	33%	0.329	S	S	.	.			trans	-75.1	126	177.4	-51.5	0	0	0	0	111.5	F55 D496	T53-F55 HydrophobicContact CG2-CD1 3.97Å; T53-F55 HydrophobicContact CG2-CD2 3.91Å; T53-F55 HydrophobicContact CG2-CE1 3.97Å; T53-F55 HydrophobicContact CG2-CE2 3.93Å; T53-F55 HydrophobicContact CG2-CG 3.95Å; T53-F55 HydrophobicContact CG2-CZ 3.96Å; T53-F55 WeakPolarHBondContact O-CD2 3.5Å; T53-D496 HydrophobicContact CG2-CB 3.68Å
54	A	94.9	Very high	90.1	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	35%	0.345	C	S	.	.			trans	-79.7	-18.7	-179.8	0	0	0	0	0	113.4	D47 D52 F56 T70 R71 D496 S497	D47-A54 HydrophobicContact CB-CB 3.79Å; D52-A54 PolarHBondContact O-N 3.09Å; A54-F56 HydrophobicContact CB-CD1 3.69Å; A54-F56 HydrophobicContact CB-CE1 3.55Å; A54-F56 HydrophobicContact CB-CZ 4.48Å; A54-T70 CarbonylContact O-C 3.48Å; A54-T70 PolarHBondContact O-OG1 2.87Å; A54-R71 PolarHBondContact O-N 3.15Å; A54-R71 VanDerWaalsContact O-N 3.09Å; A54-D496 CarbonylContact C-O 3.54Å; A54-S497 PolarHBondContact N-OG 2.98Å
55	F	96.8	Very high	90.1	Very high	23 Å²	23	70.1 Å²	70.1	10%	0.101	33%	0.331	C	S	.	.			trans	51.1	52.6	-175.7	-67.5	-78.5	0	0	0	112.8	T53 K57 F113 R115 P164 R165 D496	T53-F55 HydrophobicContact CG2-CD1 3.97Å; T53-F55 HydrophobicContact CG2-CD2 3.91Å; T53-F55 HydrophobicContact CG2-CE1 3.97Å; T53-F55 HydrophobicContact CG2-CE2 3.93Å; T53-F55 HydrophobicContact CG2-CG 3.95Å; T53-F55 HydrophobicContact CG2-CZ 3.96Å; T53-F55 WeakPolarHBondContact O-CD2 3.5Å; F55-K57 PolarHBondContact O-N 3.06Å; F55-F113 HydrophobicContact CB-CD1 3.97Å; F55-F113 AromaticContact CD2-CD1 3.71Å; F55-F113 HydrophobicContact CD2-CD1 3.71Å; F55-F113 AromaticContact CD2-CE1 3.53Å; F55-F113 HydrophobicContact CD2-CE1 3.53Å; F55-F113 HydrophobicContact CD2-CE2 4.45Å; F55-F113 HydrophobicContact CD2-CG 4.25Å; F55-F113 AromaticContact CD2-CZ 3.92Å; F55-F113 HydrophobicContact CD2-CZ 3.92Å; F55-F113 HydrophobicContact CE2-CE1 4.27Å; F55-F113 HydrophobicContact CE2-CZ 4.22Å; F55-F113 HydrophobicContact CG-CD1 4.29Å; F55-F113 HydrophobicContact CG-CE1 4.49Å; F55-R115 PolarHBondContact O-NH1 2.74Å; F55-P164 HydrophobicContact CB-CB 4.08Å; F55-P164 HydrophobicContact CD1-CB 3.99Å; F55-P164 HydrophobicContact CD1-CG 4.26Å; F55-P164 HydrophobicContact CD2-CB 3.94Å; F55-P164 HydrophobicContact CD2-CG 3.72Å; F55-P164 HydrophobicContact CE1-CB 4.39Å; F55-P164 HydrophobicContact CE1-CG 4.23Å; F55-P164 HydrophobicContact CE2-CB 4.33Å; F55-P164 HydrophobicContact CE2-CG 3.67Å; F55-P164 HydrophobicContact CG-CB 3.74Å; F55-P164 HydrophobicContact CG-CG 4.01Å; F55-P164 HydrophobicContact CZ-CG 3.93Å; F55-R165 HydrophobicContact CE1-CG 3.64Å; F55-R165 HydrophobicContact CZ-CG 3.84Å; F55-D496 CarbonylContact C-O 3.6Å; F55-D496 WeakPolarHBondContact CA-O 3.42Å; F55-D496 PolarHBondContact N-O 2.84Å
56	F	97.7	Very high	90.2	Very high	3 Å²	3	68.7 Å²	68.7	1%	0.013	32%	0.324	C	S	.	.			trans	-51.1	135.9	176	-76.9	3.8	0	0	0	111.9	F45 D47 A54 V68 G69 T70 T495 D496 S497 L499	F45-F56 AromaticContact CD1-CE2 3.89Å; F45-F56 HydrophobicContact CD1-CE2 3.89Å; F45-F56 HydrophobicContact CD1-CZ 4.14Å; F45-F56 AromaticContact CE1-CE2 3.8Å; F45-F56 HydrophobicContact CE1-CE2 3.8Å; F45-F56 AromaticContact CE1-CZ 3.57Å; F45-F56 HydrophobicContact CE1-CZ 3.57Å; D47-F56 HydrophobicContact CB-CE1 4.03Å; D47-F56 HydrophobicContact CB-CZ 3.77Å; A54-F56 HydrophobicContact CB-CD1 3.69Å; A54-F56 HydrophobicContact CB-CE1 3.55Å; A54-F56 HydrophobicContact CB-CZ 4.48Å; F56-V68 HydrophobicContact CB-CG1 4.11Å; F56-V68 HydrophobicContact CD1-CG1 4.37Å; F56-V68 HydrophobicContact CD2-CG1 4.44Å; F56-V68 HydrophobicContact CG-CG1 4.06Å; F56-G69 CarbonylContact C-O 3.58Å; F56-G69 VanDerWaalsContact CA-O 3.3Å; F56-G69 WeakPolarHBondContact CA-O 3.36Å; F56-T70 WeakPolarHBondContact CD1-OG1 3.06Å; F56-T70 VanDerWaalsContact CE1-OG1 3.23Å; F56-T70 WeakPolarHBondContact CE1-OG1 3.48Å; F56-T495 WeakPolarHBondContact CB-O 3.18Å; F56-D496 PolarHBondContact N-O 3.32Å; F56-S497 VanDerWaalsContact CE2-O 3.26Å; F56-S497 WeakPolarHBondContact CE2-O 2.98Å; F56-L499 HydrophobicContact CD2-CD1 4.45Å; F56-L499 HydrophobicContact CD2-CD2 4.11Å; F56-L499 HydrophobicContact CD2-CG 3.85Å; F56-L499 HydrophobicContact CE2-CD1 4.46Å; F56-L499 HydrophobicContact CE2-CG 4.06Å
57	K	97.9	Very high	90.4	Very high	70 Å²	70	68.2 Å²	68.2	30%	0.304	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	120.9	172.9	-177.7	64.1	174.7	175.2	0	109	F55 L59 V68 G69	F55-K57 PolarHBondContact O-N 3.06Å; K57-L59 HydrophobicContact CB-CD2 4.25Å; K57-L59 HydrophobicContact CG-CD2 3.84Å; K57-L59 WeakPolarHBondContact O-CG 3.41Å; K57-L59 PolarHBondContact O-N 3.42Å; K57-L59 VanDerWaalsContact O-N 3.11Å; K57-V68 CarbonylContact O-C 3.54Å; K57-V68 WeakPolarHBondContact O-CA 3.43Å; K57-G69 PolarHBondContact N-O 3.12Å; K57-G69 PolarHBondContact O-N 3.36Å
58	V	98	Very high	90.8	Very high	16 Å²	16	66.6 Å²	66.6	10%	0.097	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	111.4	167.3	179.6	0	0	0	0	107.9	V61 V66 K477 L492	V58-V61 HydrophobicContact CG1-CG2 4.13Å; V58-V66 HydrophobicContact CG1-CG2 3.87Å; V58-K477 HydrophobicContact CG1-CG 4.35Å; V58-L492 HydrophobicContact CG1-CD2 4.23Å; V58-L492 HydrophobicContact CG2-CD2 4.01Å
59	L	97.9	Very high	91.5	Very high	28 Å²	28	57.7 Å²	57.7	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-42.6	-175.6	-59.9	172.1	0	0	0	111.7	K57 L67 G69 V74 I114 R115 L117	K57-L59 HydrophobicContact CB-CD2 4.25Å; K57-L59 HydrophobicContact CG-CD2 3.84Å; K57-L59 WeakPolarHBondContact O-CG 3.41Å; K57-L59 PolarHBondContact O-N 3.42Å; K57-L59 VanDerWaalsContact O-N 3.11Å; L59-L67 HydrophobicContact CB-CB 4.46Å; L59-L67 WeakPolarHBondContact CB-O 3.49Å; L59-L67 PolarHBondContact N-O 3.17Å; L59-G69 VanDerWaalsContact CD1-N 3.27Å; L59-V74 HydrophobicContact CD1-CG1 4.08Å; L59-V74 HydrophobicContact CD1-CG2 3.98Å; L59-I114 HydrophobicContact CD1-CG2 3.87Å; L59-I114 HydrophobicContact CD2-CG2 4.49Å; L59-R115 VanDerWaalsContact CD2-C 3.41Å; L59-R115 WeakPolarHBondContact CD2-O 3.35Å; L59-L117 HydrophobicContact CB-CB 3.92Å; L59-L117 HydrophobicContact CD1-CB 3.87Å; L59-L117 HydrophobicContact CD1-CD1 4.21Å; L59-L117 HydrophobicContact CG-CB 4.32Å
60	A	95.3	Very high	92.2	Very high	25 Å²	25	55.3 Å²	55.3	21%	0.207	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	145.3	177.2	0	0	0	0	0	110.4	V66 L67	A60-V66 WeakPolarHBondContact O-CG2 3.04Å; A60-L67 HydrophobicContact CB-CB 4.34Å; A60-L67 HydrophobicContact CB-CD1 4.3Å; A60-L67 PolarHBondContact N-O 3.02Å; A60-L67 PolarHBondContact O-N 2.84Å
61	V	93	Very high	93.4	Very high	52 Å²	52	48.5 Å²	48.5	32%	0.315	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.7	170.9	177.6	0	0	0	0	108.1	V58 V66 L79 K477 V479	V58-V61 HydrophobicContact CG1-CG2 4.13Å; V61-V66 HydrophobicContact CG2-CG2 4.25Å; V61-L79 HydrophobicContact CG1-CD1 4.38Å; V61-K477 HydrophobicContact CG2-CB 4.29Å; V61-K477 HydrophobicContact CG2-CG 4.26Å; V61-V479 HydrophobicContact CB-CG1 4.31Å; V61-V479 HydrophobicContact CG1-CB 3.98Å; V61-V479 HydrophobicContact CG1-CG1 3.49Å; V61-V479 VanDerWaalsContact CG1-CG1 3.49Å; V61-V479 HydrophobicContact CG2-CG1 3.92Å
62	E	89	Confident	94.4	Very high	55 Å²	55	39.4 Å²	39.4	26%	0.257	19%	0.19	S	C	.	.			trans	-100.2	175.2	174.1	-54.6	-61.9	156.6	0	0	110.4	Q64 S65 K119	E62-Q64 VanDerWaalsContact C-N 3.27Å; E62-Q64 PolarHBondContact O-N 3.25Å; E62-S65 CarbonylContact C-O 3.56Å; E62-S65 WeakPolarHBondContact CA-O 3.27Å; E62-S65 VanDerWaalsContact CB-O 3.27Å; E62-S65 WeakPolarHBondContact CB-O 3.04Å; E62-S65 PolarHBondContact N-O 3.25Å; E62-K119 WeakPolarHBondContact OE1-CE 3.48Å; E62-K119 IonicContact OE1-NZ 3.98Å; E62-K119 PolarHBondContact OE1-NZ 2.84Å; E62-K119 IonicContact OE2-NZ 3.41Å; E62-K119 PolarHBondContact OE2-NZ 3.02Å
63	R	83.4	Confident	95.1	Very high	220 Å²	220	38 Å²	38	83%	0.83	18%	0.183	S	C	*	.	S	Bend	trans	-60.1	-33.2	179.9	-69	-175.9	-178.1	177.6	0.3	114.3
64	Q	87.8	Confident	95.5	Very high	146 Å²	146	35.4 Å²	35.4	68%	0.682	17%	0.167	S	C	*	.	S	Bend	trans	-130.8	-1	-174.4	-67.9	-175.3	-45.9	0	0	113.2	E62 L79	E62-Q64 VanDerWaalsContact C-N 3.27Å; E62-Q64 PolarHBondContact O-N 3.25Å; Q64-L79 PolarHBondContact O-N 3.26Å
65	S	93.5	Very high	95.6	Very high	18 Å²	18	36.2 Å²	36.2	13%	0.126	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	166.4	-176.9	73.7	0	0	0	0	111.5	E62 N76 I77	E62-S65 CarbonylContact C-O 3.56Å; E62-S65 WeakPolarHBondContact CA-O 3.27Å; E62-S65 VanDerWaalsContact CB-O 3.27Å; E62-S65 WeakPolarHBondContact CB-O 3.04Å; E62-S65 PolarHBondContact N-O 3.25Å; S65-N76 WeakPolarHBondContact CB-OD1 3.35Å; S65-N76 PolarHBondContact OG-OD1 3.02Å; S65-I77 CarbonylContact C-O 3.57Å; S65-I77 WeakPolarHBondContact CA-O 3.45Å; S65-I77 WeakPolarHBondContact CB-O 3.45Å
66	V	96.3	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.5	173.3	58.9	0	0	0	0	109.1	V58 A60 V61 V68 I77 L79 L492	V58-V66 HydrophobicContact CG1-CG2 3.87Å; A60-V66 WeakPolarHBondContact O-CG2 3.04Å; V61-V66 HydrophobicContact CG2-CG2 4.25Å; V66-V68 HydrophobicContact CG1-CG2 4.06Å; V66-V68 HydrophobicContact CG2-CG2 3.91Å; V66-I77 HydrophobicContact CG1-CB 4Å; V66-I77 PolarHBondContact N-O 3.35Å; V66-I77 PolarHBondContact O-N 2.83Å; V66-L79 HydrophobicContact CB-CD2 4.21Å; V66-L79 HydrophobicContact CG1-CD2 4.17Å; V66-L492 HydrophobicContact CB-CD2 4.19Å; V66-L492 HydrophobicContact CG1-CD2 4.31Å; V66-L492 HydrophobicContact CG2-CD2 3.69Å
67	L	97.6	Very high	95.5	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.063	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.2	171.5	-60	-177.4	0	0	0	108.9	L59 A60 V74 L75 N76 L117	L59-L67 HydrophobicContact CB-CB 4.46Å; L59-L67 WeakPolarHBondContact CB-O 3.49Å; L59-L67 PolarHBondContact N-O 3.17Å; A60-L67 HydrophobicContact CB-CB 4.34Å; A60-L67 HydrophobicContact CB-CD1 4.3Å; A60-L67 PolarHBondContact N-O 3.02Å; A60-L67 PolarHBondContact O-N 2.84Å; L67-V74 HydrophobicContact CB-CG1 4.3Å; L67-L75 CarbonylContact C-O 3.56Å; L67-L75 WeakPolarHBondContact CA-O 3.23Å; L67-N76 HydrophobicContact CD2-CB 3.66Å; L67-L117 HydrophobicContact CD1-CD1 3.91Å; L67-L117 HydrophobicContact CD1-CD2 3.95Å
68	V	98.6	Very high	95.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.1	-176.6	-178.9	0	0	0	0	109.2	F56 K57 V66 V74 L75 I77 L499	F56-V68 HydrophobicContact CB-CG1 4.11Å; F56-V68 HydrophobicContact CD1-CG1 4.37Å; F56-V68 HydrophobicContact CD2-CG1 4.44Å; F56-V68 HydrophobicContact CG-CG1 4.06Å; K57-V68 CarbonylContact O-C 3.54Å; K57-V68 WeakPolarHBondContact O-CA 3.43Å; V66-V68 HydrophobicContact CG1-CG2 4.06Å; V66-V68 HydrophobicContact CG2-CG2 3.91Å; V68-V74 CarbonylContact O-C 3.6Å; V68-V74 WeakPolarHBondContact O-CA 3.41Å; V68-L75 PolarHBondContact N-O 2.85Å; V68-L75 PolarHBondContact O-N 3.45Å; V68-I77 HydrophobicContact CB-CD1 4.35Å; V68-I77 HydrophobicContact CG2-CD1 4.15Å; V68-L499 HydrophobicContact CB-CD1 4.49Å; V68-L499 HydrophobicContact CG1-CD1 4.34Å; V68-L499 HydrophobicContact CG2-CD1 3.76Å
69	G	98.5	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	136	170.7	0	0	0	0	0	109.5	F56 K57 L59	F56-G69 CarbonylContact C-O 3.58Å; F56-G69 VanDerWaalsContact CA-O 3.3Å; F56-G69 WeakPolarHBondContact CA-O 3.36Å; K57-G69 PolarHBondContact N-O 3.12Å; K57-G69 PolarHBondContact O-N 3.36Å; L59-G69 VanDerWaalsContact CD1-N 3.27Å
70	T	97.8	Very high	94.6	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	-172.1	178.9	-172.9	0	0	0	0	109.6	A54 F56 N72 A73 L75 I114	A54-T70 CarbonylContact O-C 3.48Å; A54-T70 PolarHBondContact O-OG1 2.87Å; F56-T70 WeakPolarHBondContact CD1-OG1 3.06Å; F56-T70 VanDerWaalsContact CE1-OG1 3.23Å; F56-T70 WeakPolarHBondContact CE1-OG1 3.48Å; T70-N72 PolarHBondContact O-N 2.97Å; T70-A73 HydrophobicContact CG2-CB 3.97Å; T70-A73 WeakPolarHBondContact CG2-O 3.24Å; T70-A73 PolarHBondContact N-O 3.16Å; T70-L75 HydrophobicContact CG2-CD1 4.03Å; T70-L75 HydrophobicContact CG2-CG 3.94Å; T70-I114 PolarHBondContact O-N 3.4Å; T70-I114 VanDerWaalsContact O-N 3.13Å
71	R	97	Very high	94.4	Very high	33 Å²	33	37.6 Å²	37.6	13%	0.125	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-53.7	118.7	167.6	178.7	-173.3	-67.3	-148.8	-29.4	110.5	D49 D52 A54 A73 E108 H111 F113	D49-R71 IonicContact OD2-NH1 3.58Å; D49-R71 PolarHBondContact OD2-NH1 2.96Å; D52-R71 VanDerWaalsContact CB-CZ 3.46Å; D52-R71 VanDerWaalsContact CG-NH2 3.33Å; D52-R71 IonicContact OD2-CZ 2.89Å; D52-R71 VanDerWaalsContact OD2-CZ 3.25Å; D52-R71 IonicContact OD2-NH1 3.78Å; D52-R71 PolarHBondContact OD2-NH1 3.4Å; D52-R71 IonicContact OD2-NH2 3.31Å; D52-R71 PolarHBondContact OD2-NH2 3.12Å; A54-R71 PolarHBondContact O-N 3.15Å; A54-R71 VanDerWaalsContact O-N 3.09Å; R71-A73 PolarHBondContact O-N 2.03Å; R71-E108 PolarHBondContact NH2-O 2.85Å; R71-H111 HydrophobicContact CG-CB 3.96Å; R71-F113 HydrophobicContact CB-CD1 4.1Å; R71-F113 HydrophobicContact CB-CE1 3.85Å; R71-F113 HydrophobicContact CG-CE1 4.15Å
72	N	97.6	Very high	94.4	Very high	26 Å²	26	35.4 Å²	35.4	14%	0.139	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	7.4	175.3	-55	-37.6	0	0	0	115.8	T70 W90 P91 P92 H111 N112	T70-N72 PolarHBondContact O-N 2.97Å; N72-W90 CarbonylContact O-C 3.56Å; N72-W90 VanDerWaalsContact O-C 3.3Å; N72-W90 WeakPolarHBondContact O-CA 3.4Å; N72-W90 PolarHBondContact O-N 3.02Å; N72-P91 HydrophobicContact CB-CB 4.08Å; N72-P92 VanDerWaalsContact OD1-CD 3.3Å; N72-P92 WeakPolarHBondContact OD1-CD 3.05Å; N72-H111 PolarHBondContact ND2-ND1 2.96Å; N72-H111 WeakPolarHBondContact OD1-CB 3.39Å; N72-N112 VanDerWaalsContact CA-O 3.26Å; N72-N112 WeakPolarHBondContact CA-O 3.35Å; N72-N112 PolarHBondContact N-O 2.67Å; N72-N112 PolarHBondContact OD1-N 2.96Å
73	A	97.9	Very high	94.7	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	159.7	-172.8	0	0	0	0	0	115	T70 R71 L75 L88 I114	T70-A73 HydrophobicContact CG2-CB 3.97Å; T70-A73 WeakPolarHBondContact CG2-O 3.24Å; T70-A73 PolarHBondContact N-O 3.16Å; R71-A73 PolarHBondContact O-N 2.03Å; A73-L75 HydrophobicContact CB-CD2 4.39Å; A73-L88 CarbonylContact C-O 3.59Å; A73-L88 VanDerWaalsContact CA-O 3.23Å; A73-L88 WeakPolarHBondContact CA-O 3.46Å; A73-I114 WeakPolarHBondContact O-CG1 3.35Å
74	V	98.5	Very high	95.2	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.7	158.4	179.5	0	0	0	0	108.9	L59 L67 V68 L88 I114 L117 V127	L59-V74 HydrophobicContact CD1-CG1 4.08Å; L59-V74 HydrophobicContact CD1-CG2 3.98Å; L67-V74 HydrophobicContact CB-CG1 4.3Å; V68-V74 CarbonylContact O-C 3.6Å; V68-V74 WeakPolarHBondContact O-CA 3.41Å; V74-L88 HydrophobicContact CB-CB 4.26Å; V74-L88 PolarHBondContact N-O 3.11Å; V74-L88 PolarHBondContact O-N 2.97Å; V74-I114 HydrophobicContact CG2-CB 4.28Å; V74-I114 HydrophobicContact CG2-CG1 4.15Å; V74-I114 HydrophobicContact CG2-CG2 3.72Å; V74-L117 HydrophobicContact CG1-CD1 4.02Å; V74-L117 HydrophobicContact CG2-CD1 4.41Å; V74-V127 HydrophobicContact CG2-CG1 3.69Å; V74-V127 HydrophobicContact CG2-CG2 4.34Å
75	L	97.7	Very high	95.5	Very high	18 Å²	18	26.4 Å²	26.4	9%	0.094	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.8	175.9	-55.6	-179.4	0	0	0	110	F45 L67 V68 T70 A73 I77 V84 S87	F45-L75 HydrophobicContact CE1-CD1 3.99Å; F45-L75 HydrophobicContact CZ-CD1 3.8Å; L67-L75 CarbonylContact C-O 3.56Å; L67-L75 WeakPolarHBondContact CA-O 3.23Å; V68-L75 PolarHBondContact N-O 2.85Å; V68-L75 PolarHBondContact O-N 3.45Å; T70-L75 HydrophobicContact CG2-CD1 4.03Å; T70-L75 HydrophobicContact CG2-CG 3.94Å; A73-L75 HydrophobicContact CB-CD2 4.39Å; L75-I77 HydrophobicContact CB-CD1 4.09Å; L75-I77 HydrophobicContact CB-CG1 3.95Å; L75-I77 HydrophobicContact CD1-CD1 4.38Å; L75-V84 HydrophobicContact CD1-CG2 4.43Å; L75-V84 HydrophobicContact CD2-CG1 4.27Å; L75-S87 WeakPolarHBondContact CD2-OG 3.46Å
76	N	96	Very high	95.5	Very high	33 Å²	33	28.6 Å²	28.6	18%	0.176	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	105.8	167	-175.2	-2.7	0	0	0	108.5	S65 L67 Q85 K86	S65-N76 WeakPolarHBondContact CB-OD1 3.35Å; S65-N76 PolarHBondContact OG-OD1 3.02Å; L67-N76 HydrophobicContact CD2-CB 3.66Å; N76-Q85 PolarHBondContact O-N 3.44Å; N76-K86 HydrophobicContact CB-CB 4.1Å; N76-K86 PolarHBondContact N-O 3.31Å; N76-K86 PolarHBondContact O-N 3.32Å
77	I	96.3	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.7	-172.1	-59.8	172.8	0	0	0	109.3	F45 S65 V66 V68 L75 M82 V84 L499	F45-I77 HydrophobicContact CD1-CD1 3.71Å; F45-I77 HydrophobicContact CE1-CD1 3.66Å; F45-I77 HydrophobicContact CG-CD1 4.15Å; F45-I77 HydrophobicContact CZ-CD1 4.12Å; S65-I77 CarbonylContact C-O 3.57Å; S65-I77 WeakPolarHBondContact CA-O 3.45Å; S65-I77 WeakPolarHBondContact CB-O 3.45Å; V66-I77 HydrophobicContact CG1-CB 4Å; V66-I77 PolarHBondContact N-O 3.35Å; V66-I77 PolarHBondContact O-N 2.83Å; V68-I77 HydrophobicContact CB-CD1 4.35Å; V68-I77 HydrophobicContact CG2-CD1 4.15Å; L75-I77 HydrophobicContact CB-CD1 4.09Å; L75-I77 HydrophobicContact CB-CG1 3.95Å; L75-I77 HydrophobicContact CD1-CD1 4.38Å; I77-M82 HydrophobicContact CG2-SD 4.17Å; I77-V84 HydrophobicContact CG1-CG2 4.23Å; I77-L499 HydrophobicContact CD1-CD1 3.51Å
78	S	94.4	Very high	95.5	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.063	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	133.1	177.7	172.8	0	0	0	0	111.7	S80 T81 M82 S83	S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact OG-N 3.13Å; S78-S80 VanDerWaalsContact OG-N 3.17Å; S78-S80 PolarHBondContact OG-OG 2.7Å; S78-T81 WeakPolarHBondContact CB-OG1 3.49Å; S78-T81 PolarHBondContact OG-N 3.45Å; S78-T81 PolarHBondContact OG-OG1 2.85Å; S78-M82 WeakPolarHBondContact O-CA 3.19Å; S78-M82 PolarHBondContact O-N 3.18Å; S78-S83 PolarHBondContact N-O 3.1Å
79	L	91.7	Very high	95.4	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.4	173.1	-68.8	174.4	0	0	0	112.5	V61 Q64 V66 M82 V479 L501	V61-L79 HydrophobicContact CG1-CD1 4.38Å; Q64-L79 PolarHBondContact O-N 3.26Å; V66-L79 HydrophobicContact CB-CD2 4.21Å; V66-L79 HydrophobicContact CG1-CD2 4.17Å; L79-M82 HydrophobicContact CD2-CE 3.93Å; L79-V479 HydrophobicContact CD1-CB 4.44Å; L79-V479 HydrophobicContact CD1-CG2 4.35Å; L79-V479 HydrophobicContact CD2-CG2 4.23Å; L79-L501 HydrophobicContact CB-CD2 4.26Å; L79-L501 HydrophobicContact CD2-CD1 4.28Å; L79-L501 HydrophobicContact CD2-CD2 4.24Å; L79-L501 WeakPolarHBondContact O-CD2 3.01Å
80	S	89.3	Confident	95.4	Very high	71 Å²	71	37 Å²	37	50%	0.497	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-25.2	179.2	59	0	0	0	0	113.7	L43 S78	L43-S80 WeakPolarHBondContact CD1-O 3.48Å; S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact OG-N 3.13Å; S78-S80 VanDerWaalsContact OG-N 3.17Å; S78-S80 PolarHBondContact OG-OG 2.7Å
81	T	91.1	Very high	95.4	Very high	76 Å²	76	40.2 Å²	40.2	47%	0.466	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-10.4	-174.5	57.5	0	0	0	0	114.1	S78 S83	S78-T81 WeakPolarHBondContact CB-OG1 3.49Å; S78-T81 PolarHBondContact OG-N 3.45Å; S78-T81 PolarHBondContact OG-OG1 2.85Å; T81-S83 PolarHBondContact O-N 3.07Å; T81-S83 VanDerWaalsContact O-N 3.13Å; T81-S83 PolarHBondContact OG1-N 3.41Å; T81-S83 PolarHBondContact OG1-OG 3.41Å
82	M	92.5	Very high	95.4	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.034	22%	0.224	C	C	.	.			trans	51.6	25.6	-167.8	-75.7	-71	124.4	0	0	113.8	L43 F45 I77 S78 L79 L492 L501	L43-M82 HydrophobicContact CB-CB 3.84Å; L43-M82 HydrophobicContact CB-CG 3.22Å; L43-M82 HydrophobicContact CD1-CG 4.12Å; L43-M82 HydrophobicContact CG-CG 4.31Å; F45-M82 HydrophobicContact CB-CB 4.3Å; F45-M82 HydrophobicContact CB-SD 4.5Å; I77-M82 HydrophobicContact CG2-SD 4.17Å; S78-M82 WeakPolarHBondContact O-CA 3.19Å; S78-M82 PolarHBondContact O-N 3.18Å; L79-M82 HydrophobicContact CD2-CE 3.93Å; M82-L492 HydrophobicContact CE-CD1 4.25Å; M82-L501 HydrophobicContact CE-CB 3.45Å; M82-L501 VanDerWaalsContact CE-CB 3.45Å; M82-L501 HydrophobicContact CE-CD1 4.49Å; M82-L501 HydrophobicContact CE-CD2 3.7Å; M82-L501 HydrophobicContact CE-CG 4.06Å; M82-L501 HydrophobicContact CG-CB 4.33Å; M82-L501 HydrophobicContact SD-CB 4.13Å
83	S	94.3	Very high	95.5	Very high	49 Å²	49	42 Å²	42	34%	0.343	24%	0.239	S	C	.	.			trans	-99.3	143.9	176.6	68.8	0	0	0	0	111.4	S78 T81 Q85	S78-S83 PolarHBondContact N-O 3.1Å; T81-S83 PolarHBondContact O-N 3.07Å; T81-S83 VanDerWaalsContact O-N 3.13Å; T81-S83 PolarHBondContact OG1-N 3.41Å; T81-S83 PolarHBondContact OG1-OG 3.41Å; S83-Q85 PolarHBondContact O-N 3.47Å; S83-Q85 PolarHBondContact OG-NE2 3.09Å; S83-Q85 VanDerWaalsContact OG-NE2 3.11Å
84	V	95.9	Very high	95.5	Very high	63 Å²	63	45.2 Å²	45.2	38%	0.382	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	118.4	173.9	-178.2	0	0	0	0	108.9	F45 L75 I77	F45-V84 HydrophobicContact CE2-CG2 3.58Å; F45-V84 HydrophobicContact CZ-CG2 3.85Å; L75-V84 HydrophobicContact CD1-CG2 4.43Å; L75-V84 HydrophobicContact CD2-CG1 4.27Å; I77-V84 HydrophobicContact CG1-CG2 4.23Å
85	Q	93.6	Very high	95.4	Very high	120 Å²	120	50.7 Å²	50.7	56%	0.561	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	-35.9	176.2	-62.5	-64.7	-42.9	0	0	111.3	N76 S83	N76-Q85 PolarHBondContact O-N 3.44Å; S83-Q85 PolarHBondContact O-N 3.47Å; S83-Q85 PolarHBondContact OG-NE2 3.09Å; S83-Q85 VanDerWaalsContact OG-NE2 3.11Å
86	K	93.7	Very high	95.4	Very high	63 Å²	63	51.9 Å²	51.9	27%	0.274	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	144.1	178.9	-161.5	176	-177.5	107.3	0	110.2	N76 G146 Y148	N76-K86 HydrophobicContact CB-CB 4.1Å; N76-K86 PolarHBondContact N-O 3.31Å; N76-K86 PolarHBondContact O-N 3.32Å; K86-G146 WeakPolarHBondContact CE-O 3.35Å; K86-G146 PolarHBondContact NZ-O 2.97Å; K86-Y148 HydrophobicContact CD-CD2 4.31Å; K86-Y148 HydrophobicContact CD-CE2 3.47Å; K86-Y148 VanDerWaalsContact CD-CE2 3.47Å; K86-Y148 HydrophobicContact CG-CE2 4.05Å
87	S	95.6	Very high	95.5	Very high	42 Å²	42	51.8 Å²	51.8	29%	0.294	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.4	167.7	-169.5	0	0	0	0	109.9	L75 E89	L75-S87 WeakPolarHBondContact CD2-OG 3.46Å; S87-E89 WeakPolarHBondContact CB-OE1 3.34Å; S87-E89 PolarHBondContact OG-OE1 2.83Å
88	L	96.9	Very high	95.6	Very high	15 Å²	15	56.2 Å²	56.2	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	98.6	165	171.4	58.8	0	0	0	107.7	A73 V74 V127 Y140 Y148	A73-L88 CarbonylContact C-O 3.59Å; A73-L88 VanDerWaalsContact CA-O 3.23Å; A73-L88 WeakPolarHBondContact CA-O 3.46Å; V74-L88 HydrophobicContact CB-CB 4.26Å; V74-L88 PolarHBondContact N-O 3.11Å; V74-L88 PolarHBondContact O-N 2.97Å; L88-V127 HydrophobicContact CD2-CG2 3.96Å; L88-Y140 HydrophobicContact CD1-CD1 4.28Å; L88-Y140 HydrophobicContact CD1-CE1 3.69Å; L88-Y140 HydrophobicContact CD2-CD2 4.08Å; L88-Y140 HydrophobicContact CD2-CE1 4.27Å; L88-Y140 HydrophobicContact CD2-CE2 3.8Å; L88-Y140 HydrophobicContact CD2-CG 4.4Å; L88-Y148 HydrophobicContact CB-CD2 3.85Å; L88-Y148 HydrophobicContact CB-CE2 3.8Å; L88-Y148 HydrophobicContact CD1-CD2 3.76Å; L88-Y148 HydrophobicContact CD1-CG 3.94Å; L88-Y148 HydrophobicContact CD2-CD1 4.43Å; L88-Y148 HydrophobicContact CD2-CD2 4.31Å; L88-Y148 HydrophobicContact CD2-CG 4.24Å; L88-Y148 HydrophobicContact CG-CD2 4.18Å; L88-Y148 HydrophobicContact CG-CG 4.48Å
89	E	97.2	Very high	95.8	Very high	119 Å²	119	61 Å²	61	56%	0.556	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	132	177.5	-59.5	-59	147.1	0	0	110.9	S87	S87-E89 WeakPolarHBondContact CB-OE1 3.34Å; S87-E89 PolarHBondContact OG-OE1 2.83Å
90	W	98	Very high	96.1	Very high	13 Å²	13	60.8 Å²	60.8	5%	0.049	35%	0.347	C	S	.	.			trans	-150.9	68.6	176.8	-174.4	18.8	0	0	0	111.2	N72 N112 I114 V127 A136 R138	N72-W90 CarbonylContact O-C 3.56Å; N72-W90 VanDerWaalsContact O-C 3.3Å; N72-W90 WeakPolarHBondContact O-CA 3.4Å; N72-W90 PolarHBondContact O-N 3.02Å; W90-N112 WeakPolarHBondContact O-CB 3.44Å; W90-N112 PolarHBondContact O-ND2 2.9Å; W90-I114 HydrophobicContact CE3-CD1 3.74Å; W90-I114 HydrophobicContact CZ3-CD1 4.16Å; W90-V127 HydrophobicContact CE3-CB 4.36Å; W90-V127 HydrophobicContact CE3-CG1 4.09Å; W90-V127 HydrophobicContact CZ3-CB 4.16Å; W90-V127 HydrophobicContact CZ3-CG1 4.07Å; W90-V127 WeakPolarHBondContact CZ3-O 3.44Å; W90-A136 HydrophobicContact CH2-CB 4.08Å; W90-A136 WeakPolarHBondContact CH2-O 3.07Å; W90-A136 HydrophobicContact CZ2-CB 3.96Å; W90-R138 HydrophobicContact CH2-CB 3.76Å; W90-R138 HydrophobicContact CZ2-CB 3.81Å; W90-R138 HydrophobicContact CZ3-CB 4.15Å; W90-R138 VanDerWaalsContact NE1-CZ 3.35Å; W90-R138 VanDerWaalsContact NE1-NH1 3.16Å
91	P	98.1	Very high	96.5	Very high	74 Å²	74	61.1 Å²	61.1	48%	0.481	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-69.3	157.9	171.3	30.8	-35.5	0	0	0	111.9	N72	N72-P91 HydrophobicContact CB-CB 4.08Å
92	P	98.2	Very high	96.8	Very high	19 Å²	19	65.2 Å²	65.2	12%	0.123	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-67.1	162.4	171.8	30.2	-34.4	0	0	0	111.7	N72 D96 V97 N131 A132	N72-P92 VanDerWaalsContact OD1-CD 3.3Å; N72-P92 WeakPolarHBondContact OD1-CD 3.05Å; P92-D96 HydrophobicContact CB-CB 4.18Å; P92-V97 HydrophobicContact CB-CG2 4.12Å; P92-V97 HydrophobicContact CG-CG2 3.62Å; P92-N131 VanDerWaalsContact CA-OD1 3.29Å; P92-N131 WeakPolarHBondContact CA-OD1 3.47Å; P92-N131 WeakPolarHBondContact CB-OD1 3.19Å; P92-A132 HydrophobicContact CB-CB 3.93Å; P92-A132 HydrophobicContact CG-CB 4.19Å
93	T	97.9	Very high	96.9	Very high	76 Å²	76	69 Å²	69	47%	0.466	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-74.3	159.3	172.3	68.1	0	0	0	0	110.9	D95 D96 V97	T93-D95 VanDerWaalsContact C-N 3.27Å; T93-D95 PolarHBondContact O-N 2.98Å; T93-D96 PolarHBondContact N-OD2 3.34Å; T93-D96 PolarHBondContact O-N 3.36Å; T93-D96 PolarHBondContact OG1-N 3.1Å; T93-D96 PolarHBondContact OG1-OD2 3.35Å; T93-V97 WeakPolarHBondContact O-CG2 3.49Å; T93-V97 PolarHBondContact O-N 3.09Å; T93-V97 VanDerWaalsContact O-N 3.09Å
94	A	97.8	Very high	97	Very high	71 Å²	71	69.7 Å²	69.7	59%	0.587	39%	0.388	S	S	*	.	H	α-helix	trans	-57.5	-42.4	175.9	0	0	0	0	0	111.6	D96 V97 D98	A94-D96 VanDerWaalsContact C-N 3.33Å; A94-D96 PolarHBondContact O-N 3.12Å; A94-V97 PolarHBondContact O-N 3.18Å; A94-V97 VanDerWaalsContact O-N 3.15Å; A94-D98 PolarHBondContact O-N 2.74Å
95	D	98	Very high	96.9	Very high	123 Å²	123	69.4 Å²	69.4	66%	0.658	38%	0.382	S	S	*	.	H	α-helix	trans	-61	-39.5	177.7	-62.4	-16.6	0	0	0	112.3	T93 M99	T93-D95 VanDerWaalsContact C-N 3.27Å; T93-D95 PolarHBondContact O-N 2.98Å; D95-M99 VanDerWaalsContact O-CB 3.31Å; D95-M99 WeakPolarHBondContact O-CB 3.25Å; D95-M99 VanDerWaalsContact O-CG 3.24Å; D95-M99 WeakPolarHBondContact O-CG 3.4Å; D95-M99 PolarHBondContact O-N 3.13Å
96	D	97.5	Very high	97	Very high	43 Å²	43	68.8 Å²	68.8	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-65.7	-40.4	176.1	-68	-44.7	0	0	0	111.6	P92 T93 A94 C100 N131 A132	P92-D96 HydrophobicContact CB-CB 4.18Å; T93-D96 PolarHBondContact N-OD2 3.34Å; T93-D96 PolarHBondContact O-N 3.36Å; T93-D96 PolarHBondContact OG1-N 3.1Å; T93-D96 PolarHBondContact OG1-OD2 3.35Å; A94-D96 VanDerWaalsContact C-N 3.33Å; A94-D96 PolarHBondContact O-N 3.12Å; D96-C100 VanDerWaalsContact O-CB 3.27Å; D96-C100 WeakPolarHBondContact O-CB 3.04Å; D96-C100 PolarHBondContact O-N 2.03Å; D96-N131 PolarHBondContact OD2-ND2 2.93Å; D96-A132 HydrophobicContact CB-CB 4.25Å
97	V	98.3	Very high	96.9	Very high	31 Å²	31	72.3 Å²	72.3	19%	0.188	40%	0.4	C	S	.	.	H	α-helix	trans	-64.7	-48.2	177	176.5	0	0	0	0	110.4	P92 T93 A94 M99 C100 Q101 C110	P92-V97 HydrophobicContact CB-CG2 4.12Å; P92-V97 HydrophobicContact CG-CG2 3.62Å; T93-V97 WeakPolarHBondContact O-CG2 3.49Å; T93-V97 PolarHBondContact O-N 3.09Å; T93-V97 VanDerWaalsContact O-N 3.09Å; A94-V97 PolarHBondContact O-N 3.18Å; A94-V97 VanDerWaalsContact O-N 3.15Å; V97-M99 VanDerWaalsContact C-N 3.34Å; V97-M99 PolarHBondContact O-N 2.63Å; V97-C100 WeakPolarHBondContact O-CB 2.8Å; V97-C100 PolarHBondContact O-N 2.78Å; V97-C100 VanDerWaalsContact O-N 3.15Å; V97-Q101 WeakPolarHBondContact O-CG 3.25Å; V97-Q101 PolarHBondContact O-N 3.03Å; V97-C110 HydrophobicContact CG1-CB 4.21Å
98	D	98.1	Very high	96.7	Very high	92 Å²	92	75.2 Å²	75.2	49%	0.492	41%	0.409	S	S	.	.	H	α-helix	trans	-60.2	-45.4	178.3	-72.2	-11.5	0	0	0	110.6	A94 C100 Q101 M102	A94-D98 PolarHBondContact O-N 2.74Å; D98-C100 VanDerWaalsContact C-N 3.33Å; D98-C100 PolarHBondContact O-N 3.24Å; D98-Q101 PolarHBondContact O-N 2.82Å; D98-M102 WeakPolarHBondContact O-CB 3.49Å; D98-M102 WeakPolarHBondContact O-CG 3.4Å; D98-M102 PolarHBondContact O-N 3.15Å
99	M	97.7	Very high	96.6	Very high	109 Å²	109	75.7 Å²	75.7	54%	0.537	41%	0.411	S	S	.	.	H	α-helix	trans	-63.9	-36.5	176.1	-75.8	-63.5	-66.3	0	0	112.8	D95 V97 M102 K103	D95-M99 VanDerWaalsContact O-CB 3.31Å; D95-M99 WeakPolarHBondContact O-CB 3.25Å; D95-M99 VanDerWaalsContact O-CG 3.24Å; D95-M99 WeakPolarHBondContact O-CG 3.4Å; D95-M99 PolarHBondContact O-N 3.13Å; V97-M99 VanDerWaalsContact C-N 3.34Å; V97-M99 PolarHBondContact O-N 2.63Å; M99-M102 PolarHBondContact O-N 3.02Å; M99-K103 VanDerWaalsContact O-CG 3.26Å; M99-K103 WeakPolarHBondContact O-CG 3.13Å; M99-K103 PolarHBondContact O-N 3.01Å
100	C	98	Very high	96.6	Very high	0 Å²	0	70 Å²	70	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-62.2	-44.6	174.3	175.3	0	0	0	0	111.7	D96 V97 D98 K103 K105 C110 A132	D96-C100 VanDerWaalsContact O-CB 3.27Å; D96-C100 WeakPolarHBondContact O-CB 3.04Å; D96-C100 PolarHBondContact O-N 2.03Å; V97-C100 WeakPolarHBondContact O-CB 2.8Å; V97-C100 PolarHBondContact O-N 2.78Å; V97-C100 VanDerWaalsContact O-N 3.15Å; D98-C100 VanDerWaalsContact C-N 3.33Å; D98-C100 PolarHBondContact O-N 3.24Å; C100-K103 PolarHBondContact O-N 3.12Å; C100-K105 WeakPolarHBondContact O-CB 3.47Å; C100-K105 PolarHBondContact O-N 3.3Å; C100-C110 HydrophobicContact CB-CB 3.73Å; C100-C110 WeakPolarHBondContact CB-SG 3.46Å; C100-C110 WeakPolarHBondContact SG-CA 3.35Å; C100-C110 WeakPolarHBondContact SG-CB 3.28Å; C100-C110 CovalentContact SG-SG 2.05Å; C100-C110 PolarHBondContact SG-SG 3.37Å; C100-A132 HydrophobicContact CB-CB 3.91Å; C100-A132 VanDerWaalsContact CB-O 3.32Å; C100-A132 WeakPolarHBondContact CB-O 3.28Å
101	Q	97.6	Very high	96.5	Very high	79 Å²	79	71.3 Å²	71.3	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-68.6	-40.4	177.2	-66.7	-176.9	6.4	0	0	112	V97 D98 K103 G104	V97-Q101 WeakPolarHBondContact O-CG 3.25Å; V97-Q101 PolarHBondContact O-N 3.03Å; D98-Q101 PolarHBondContact O-N 2.82Å; Q101-K103 PolarHBondContact O-N 2.78Å; Q101-G104 WeakPolarHBondContact O-CA 3.29Å; Q101-G104 PolarHBondContact O-N 2.95Å
102	M	97.5	Very high	96.6	Very high	161 Å²	161	67.8 Å²	67.8	79%	0.793	37%	0.368	S	S	*	.	H	α-helix	trans	-62.6	-27.8	174.2	-71.5	-64.7	-69.5	0	0	112.8	D98 M99 G104	D98-M102 WeakPolarHBondContact O-CB 3.49Å; D98-M102 WeakPolarHBondContact O-CG 3.4Å; D98-M102 PolarHBondContact O-N 3.15Å; M99-M102 PolarHBondContact O-N 3.02Å; M102-G104 PolarHBondContact O-N 2.96Å
103	K	95.3	Very high	96.6	Very high	88 Å²	88	66.9 Å²	66.9	38%	0.383	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	3.8	170.1	-70	169.4	-176.8	171	0	113.5	M99 C100 Q101 F187	M99-K103 VanDerWaalsContact O-CG 3.26Å; M99-K103 WeakPolarHBondContact O-CG 3.13Å; M99-K103 PolarHBondContact O-N 3.01Å; C100-K103 PolarHBondContact O-N 3.12Å; Q101-K103 PolarHBondContact O-N 2.78Å; K103-F187 HydrophobicContact CB-CE2 4.24Å; K103-F187 HydrophobicContact CB-CZ 3.85Å; K103-F187 HydrophobicContact CD-CD2 4.37Å; K103-F187 HydrophobicContact CD-CE2 3.94Å; K103-F187 HydrophobicContact CD-CZ 4.32Å
104	G	95.7	Very high	96.6	Very high	63 Å²	63	63.3 Å²	63.3	65%	0.649	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	21.8	174.2	0	0	0	0	0	115.4	Q101 M102	Q101-G104 WeakPolarHBondContact O-CA 3.29Å; Q101-G104 PolarHBondContact O-N 2.95Å; M102-G104 PolarHBondContact O-N 2.96Å
105	K	95.2	Very high	96.6	Very high	57 Å²	57	61.1 Å²	61.1	25%	0.248	32%	0.317	C	S	.	.			trans	-94.3	150	174	-60.9	-65.4	178.9	171.9	0	111	C100 F133 F187	C100-K105 WeakPolarHBondContact O-CB 3.47Å; C100-K105 PolarHBondContact O-N 3.3Å; K105-F133 HydrophobicContact CB-CE2 4.42Å; K105-F133 HydrophobicContact CD-CD1 4.38Å; K105-F133 HydrophobicContact CD-CD2 4.43Å; K105-F133 HydrophobicContact CD-CE1 3.92Å; K105-F133 HydrophobicContact CD-CE2 3.97Å; K105-F133 HydrophobicContact CD-CZ 3.69Å; K105-F133 HydrophobicContact CG-CD1 4.4Å; K105-F133 HydrophobicContact CG-CD2 3.99Å; K105-F133 HydrophobicContact CG-CE1 4.38Å; K105-F133 HydrophobicContact CG-CE2 3.95Å; K105-F133 HydrophobicContact CG-CG 4.23Å; K105-F133 HydrophobicContact CG-CZ 4.16Å; K105-F187 HydrophobicContact CD-CZ 4.2Å; K105-F187 HydrophobicContact CG-CE2 4.3Å; K105-F187 HydrophobicContact CG-CZ 3.95Å
106	N	93.7	Very high	96.7	Very high	106 Å²	106	56 Å²	56	57%	0.567	29%	0.289	S	S	*	.			trans	-74.3	150.5	175.4	-58.7	-11.3	0	0	0	110.8	E108 N109 C110	N106-E108 VanDerWaalsContact C-N 3.28Å; N106-E108 PolarHBondContact O-N 3.45Å; N106-N109 PolarHBondContact O-N 2.78Å; N106-C110 PolarHBondContact O-N 3.5Å; N106-C110 PolarHBondContact O-SG 3.19Å; N106-C110 VanDerWaalsContact O-SG 3.39Å
107	E	92.1	Very high	96.7	Very high	138 Å²	138	54.7 Å²	54.7	65%	0.645	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-49.9	-45	178.1	-173	176	177.5	0	0	112.9	N109 C110	E107-N109 PolarHBondContact O-N 2.96Å; E107-C110 PolarHBondContact O-N 2.87Å
108	E	92.3	Very high	96.6	Very high	103 Å²	103	54 Å²	54	48%	0.481	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-56.8	-25.9	178	-57	168.2	-169.9	0	0	113.8	R71 N106 H111	R71-E108 PolarHBondContact NH2-O 2.85Å; N106-E108 VanDerWaalsContact C-N 3.28Å; N106-E108 PolarHBondContact O-N 3.45Å; E108-H111 PolarHBondContact O-CD2 3.44Å
109	N	93.7	Very high	96.5	Very high	24 Å²	24	54.9 Å²	54.9	13%	0.128	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-96.2	-12.6	178.1	-63.8	-73.6	0	0	0	112.4	N106 E107 H111 F133	N106-N109 PolarHBondContact O-N 2.78Å; E107-N109 PolarHBondContact O-N 2.96Å; N109-H111 PolarHBondContact O-N 2.95Å; N109-H111 VanDerWaalsContact O-N 3.11Å; N109-F133 HydrophobicContact CB-CE2 3.96Å
110	C	97	Very high	96.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	26%	0.255	C	S	.	.	S	Bend	trans	-86.6	41.6	-178.8	-64.8	0	0	0	0	112.3	V97 C100 N106 E107 A132	V97-C110 HydrophobicContact CG1-CB 4.21Å; C100-C110 HydrophobicContact CB-CB 3.73Å; C100-C110 WeakPolarHBondContact CB-SG 3.46Å; C100-C110 WeakPolarHBondContact SG-CA 3.35Å; C100-C110 WeakPolarHBondContact SG-CB 3.28Å; C100-C110 CovalentContact SG-SG 2.05Å; C100-C110 PolarHBondContact SG-SG 3.37Å; N106-C110 PolarHBondContact O-N 3.5Å; N106-C110 PolarHBondContact O-SG 3.19Å; N106-C110 VanDerWaalsContact O-SG 3.39Å; E107-C110 PolarHBondContact O-N 2.87Å; C110-A132 HydrophobicContact CB-CB 4.26Å
111	H	97.7	Very high	95.9	Very high	39 Å²	39	54 Å²	54	18%	0.181	28%	0.277	C	S	.	.	S	Bend	trans	-109.4	171.8	173.9	-69.7	-57.7	0	0	0	111.5	R71 N72 E108 N109 F113 T130 A132	R71-H111 HydrophobicContact CG-CB 3.96Å; N72-H111 PolarHBondContact ND2-ND1 2.96Å; N72-H111 WeakPolarHBondContact OD1-CB 3.39Å; E108-H111 PolarHBondContact O-CD2 3.44Å; N109-H111 PolarHBondContact O-N 2.95Å; N109-H111 VanDerWaalsContact O-N 3.11Å; H111-F113 HydrophobicContact CB-CD2 4.4Å; H111-F113 HydrophobicContact CB-CE1 4.41Å; H111-F113 HydrophobicContact CB-CE2 3.86Å; H111-F113 HydrophobicContact CB-CZ 3.88Å; H111-T130 PolarHBondContact O-OG1 3.2Å; H111-A132 PolarHBondContact O-N 3.42Å
112	N	98.5	Very high	95.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.297	C	S	.	.			trans	-94.2	92.8	171.2	-171.9	15.2	0	0	0	110.7	N72 W90 I114 G129 T130 N131	N72-N112 VanDerWaalsContact CA-O 3.26Å; N72-N112 WeakPolarHBondContact CA-O 3.35Å; N72-N112 PolarHBondContact N-O 2.67Å; N72-N112 PolarHBondContact OD1-N 2.96Å; W90-N112 WeakPolarHBondContact O-CB 3.44Å; W90-N112 PolarHBondContact O-ND2 2.9Å; N112-I114 PolarHBondContact O-N 2.86Å; N112-G129 VanDerWaalsContact OD1-C 3.22Å; N112-G129 VanDerWaalsContact OD1-CA 3.25Å; N112-G129 WeakPolarHBondContact OD1-CA 3.39Å; N112-T130 PolarHBondContact OD1-N 3.33Å; N112-N131 HydrophobicContact CB-CB 4.33Å; N112-N131 WeakPolarHBondContact OD1-CA 3.24Å; N112-N131 PolarHBondContact OD1-N 3.38Å
113	F	98.5	Very high	95.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-83.6	115.1	175.9	-60.6	-78.5	0	0	0	109.8	F55 R71 H111 R115 G129 T130 P164	F55-F113 HydrophobicContact CB-CD1 3.97Å; F55-F113 AromaticContact CD2-CD1 3.71Å; F55-F113 HydrophobicContact CD2-CD1 3.71Å; F55-F113 AromaticContact CD2-CE1 3.53Å; F55-F113 HydrophobicContact CD2-CE1 3.53Å; F55-F113 HydrophobicContact CD2-CE2 4.45Å; F55-F113 HydrophobicContact CD2-CG 4.25Å; F55-F113 AromaticContact CD2-CZ 3.92Å; F55-F113 HydrophobicContact CD2-CZ 3.92Å; F55-F113 HydrophobicContact CE2-CE1 4.27Å; F55-F113 HydrophobicContact CE2-CZ 4.22Å; F55-F113 HydrophobicContact CG-CD1 4.29Å; F55-F113 HydrophobicContact CG-CE1 4.49Å; R71-F113 HydrophobicContact CB-CD1 4.1Å; R71-F113 HydrophobicContact CB-CE1 3.85Å; R71-F113 HydrophobicContact CG-CE1 4.15Å; H111-F113 HydrophobicContact CB-CD2 4.4Å; H111-F113 HydrophobicContact CB-CE1 4.41Å; H111-F113 HydrophobicContact CB-CE2 3.86Å; H111-F113 HydrophobicContact CB-CZ 3.88Å; F113-R115 PolarHBondContact O-N 2.91Å; F113-G129 WeakPolarHBondContact O-CA 3.4Å; F113-T130 HydrophobicContact CB-CG2 4.15Å; F113-T130 WeakPolarHBondContact CD2-OG1 3.45Å; F113-T130 PolarHBondContact N-OG1 3.3Å; F113-T130 PolarHBondContact O-N 3.3Å; F113-T130 VanDerWaalsContact O-N 3.1Å; F113-P164 HydrophobicContact CB-CB 3.77Å; F113-P164 HydrophobicContact CB-CG 4.37Å; F113-P164 HydrophobicContact CD2-CB 3.97Å; F113-P164 HydrophobicContact CD2-CG 3.59Å; F113-P164 HydrophobicContact CE2-CG 3.99Å; F113-P164 HydrophobicContact CG-CB 3.87Å; F113-P164 HydrophobicContact CG-CG 3.97Å
114	I	98.7	Very high	95.4	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.6	-177.3	-52.9	-52.1	0	0	0	110.4	L59 T70 A73 V74 W90 N112 V127	L59-I114 HydrophobicContact CD1-CG2 3.87Å; L59-I114 HydrophobicContact CD2-CG2 4.49Å; T70-I114 PolarHBondContact O-N 3.4Å; T70-I114 VanDerWaalsContact O-N 3.13Å; A73-I114 WeakPolarHBondContact O-CG1 3.35Å; V74-I114 HydrophobicContact CG2-CB 4.28Å; V74-I114 HydrophobicContact CG2-CG1 4.15Å; V74-I114 HydrophobicContact CG2-CG2 3.72Å; W90-I114 HydrophobicContact CE3-CD1 3.74Å; W90-I114 HydrophobicContact CZ3-CD1 4.16Å; N112-I114 PolarHBondContact O-N 2.86Å; I114-V127 HydrophobicContact CB-CG1 4.45Å; I114-V127 HydrophobicContact CD1-CG1 3.98Å; I114-V127 HydrophobicContact CG1-CG1 4.27Å; I114-V127 HydrophobicContact CG2-CG1 3.38Å
115	R	98.4	Very high	95.4	Very high	26 Å²	26	52.4 Å²	52.4	10%	0.098	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-25.7	-175.1	-51.3	-52.9	-63.5	162.7	-6.8	114.2	F55 L59 F113 C128 T130 V160 T168	F55-R115 PolarHBondContact O-NH1 2.74Å; L59-R115 VanDerWaalsContact CD2-C 3.41Å; L59-R115 WeakPolarHBondContact CD2-O 3.35Å; F113-R115 PolarHBondContact O-N 2.91Å; R115-C128 PolarHBondContact N-O 3.4Å; R115-T130 HydrophobicContact CG-CG2 4.39Å; R115-V160 HydrophobicContact CB-CG2 3.72Å; R115-V160 HydrophobicContact CG-CG2 3.94Å; R115-T168 HydrophobicContact CB-CG2 4.15Å
116	L	98.5	Very high	95.5	Very high	14 Å²	14	49.7 Å²	49.7	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.2	-176.2	-59.9	171.6	0	0	0	111	F118 C128 V159 V160 A170	L116-F118 HydrophobicContact CB-CE2 3.92Å; L116-F118 HydrophobicContact CB-CZ 3.93Å; L116-F118 HydrophobicContact CD1-CE2 4.42Å; L116-F118 HydrophobicContact CD1-CZ 4.15Å; L116-F118 HydrophobicContact CD2-CZ 4.37Å; L116-F118 HydrophobicContact CG-CZ 4.38Å; L116-C128 HydrophobicContact CB-CB 4.2Å; L116-C128 PolarHBondContact N-O 2.95Å; L116-C128 PolarHBondContact O-N 3.17Å; L116-V159 HydrophobicContact CD1-CG1 4.09Å; L116-V159 VanDerWaalsContact CD1-O 3.24Å; L116-V159 WeakPolarHBondContact CD1-O 3.47Å; L116-V160 HydrophobicContact CD1-CB 4.27Å; L116-V160 HydrophobicContact CD1-CG2 4.44Å; L116-A170 HydrophobicContact CD1-CB 3.86Å; L116-A170 HydrophobicContact CD2-CB 4.07Å
117	L	98.1	Very high	95.8	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.089	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	137	169.5	179.3	154.9	0	0	0	110	L59 L67 V74 K119 I126 V127	L59-L117 HydrophobicContact CB-CB 3.92Å; L59-L117 HydrophobicContact CD1-CB 3.87Å; L59-L117 HydrophobicContact CD1-CD1 4.21Å; L59-L117 HydrophobicContact CG-CB 4.32Å; L67-L117 HydrophobicContact CD1-CD1 3.91Å; L67-L117 HydrophobicContact CD1-CD2 3.95Å; V74-L117 HydrophobicContact CG1-CD1 4.02Å; V74-L117 HydrophobicContact CG2-CD1 4.41Å; L117-K119 HydrophobicContact CD2-CG 4.48Å; L117-I126 CarbonylContact C-O 3.44Å; L117-I126 WeakPolarHBondContact CA-O 3.4Å; L117-V127 HydrophobicContact CD1-CG2 4.21Å
118	F	97	Very high	96.1	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.4	178.6	-50.5	-73.3	0	0	0	110	L116 L125 I126 A170 Y172 L179	L116-F118 HydrophobicContact CB-CE2 3.92Å; L116-F118 HydrophobicContact CB-CZ 3.93Å; L116-F118 HydrophobicContact CD1-CE2 4.42Å; L116-F118 HydrophobicContact CD1-CZ 4.15Å; L116-F118 HydrophobicContact CD2-CZ 4.37Å; L116-F118 HydrophobicContact CG-CZ 4.38Å; F118-L125 CarbonylContact O-C 3.58Å; F118-L125 WeakPolarHBondContact O-CA 3.27Å; F118-I126 HydrophobicContact CD2-CB 4.32Å; F118-I126 HydrophobicContact CD2-CG2 4.28Å; F118-I126 PolarHBondContact N-O 3.46Å; F118-I126 PolarHBondContact O-N 3.27Å; F118-A170 HydrophobicContact CE1-CB 4.16Å; F118-A170 HydrophobicContact CZ-CB 3.65Å; F118-Y172 HydrophobicContact CB-CD1 4.22Å; F118-Y172 HydrophobicContact CB-CG 3.98Å; F118-Y172 VanDerWaalsContact CD1-CB 3.43Å; F118-Y172 HydrophobicContact CG-CG 4.39Å; F118-L179 HydrophobicContact CD1-CD2 4.15Å; F118-L179 HydrophobicContact CD2-CD1 4.41Å; F118-L179 HydrophobicContact CD2-CD2 3.45Å; F118-L179 VanDerWaalsContact CD2-CD2 3.45Å; F118-L179 HydrophobicContact CE1-CD2 4.19Å; F118-L179 HydrophobicContact CE2-CD1 4.23Å; F118-L179 HydrophobicContact CE2-CD2 3.5Å; F118-L179 HydrophobicContact CG-CD2 3.78Å; F118-L179 HydrophobicContact CZ-CD2 3.87Å
119	K	94.5	Very high	96.4	Very high	109 Å²	109	33.2 Å²	33.2	47%	0.474	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.8	169.2	-78	-174.6	163	-173.9	0	109.8	E62 L117 Y172	E62-K119 WeakPolarHBondContact OE1-CE 3.48Å; E62-K119 IonicContact OE1-NZ 3.98Å; E62-K119 PolarHBondContact OE1-NZ 2.84Å; E62-K119 IonicContact OE2-NZ 3.41Å; E62-K119 PolarHBondContact OE2-NZ 3.02Å; L117-K119 HydrophobicContact CD2-CG 4.48Å; K119-Y172 WeakPolarHBondContact O-CD1 2.93Å; K119-Y172 VanDerWaalsContact O-CE1 3.31Å; K119-Y172 WeakPolarHBondContact O-CE1 3.46Å
120	Q	93.8	Very high	96.6	Very high	18 Å²	18	32.1 Å²	32.1	8%	0.084	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	158.8	176.4	-62.7	-173.3	-74.3	0	0	110.5	R124 I126 Y172 D177	Q120-R124 HydrophobicContact CB-CB 3.78Å; Q120-R124 PolarHBondContact N-O 3.06Å; Q120-I126 VanDerWaalsContact CD-CD1 3.48Å; Q120-I126 HydrophobicContact CG-CD1 4.29Å; Q120-I126 HydrophobicContact CG-CG1 4.44Å; Q120-Y172 HydrophobicContact CB-CE1 4.27Å; Q120-Y172 HydrophobicContact CG-CD1 4.48Å; Q120-Y172 HydrophobicContact CG-CE1 3.74Å; Q120-Y172 HydrophobicContact CG-CE2 4.31Å; Q120-Y172 PolarHBondContact NE2-OH 3.38Å; Q120-D177 PolarHBondContact NE2-OD1 2.76Å
121	P	91.4	Very high	96.7	Very high	73 Å²	73	32.7 Å²	32.7	47%	0.474	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	160.7	170	-24.6	34.6	0	0	0	112.5
122	K	89.5	Confident	96.7	Very high	179 Å²	179	30.9 Å²	30.9	78%	0.778	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	39.8	177.2	-51.9	175.1	-179.7	174.6	0	113.9	R124	K122-R124 PolarHBondContact O-N 3.38Å
123	S	93.4	Very high	96.6	Very high	77 Å²	77	31 Å²	31	54%	0.538	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	39.4	177.9	-53.9	0	0	0	0	112.9	I142	S123-I142 PolarHBondContact O-N 3.07Å
124	R	95.5	Very high	96.6	Very high	95 Å²	95	34.5 Å²	34.5	36%	0.358	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	154.8	175	-71.2	-178.7	-176.4	-179.5	-2.1	110.3	Q120 K122 Y140 R141	Q120-R124 HydrophobicContact CB-CB 3.78Å; Q120-R124 PolarHBondContact N-O 3.06Å; K122-R124 PolarHBondContact O-N 3.38Å; R124-Y140 CarbonylContact C-O 3.46Å; R124-Y140 WeakPolarHBondContact CA-O 3.01Å; R124-R141 HydrophobicContact CG-CB 4.48Å
125	L	95.8	Very high	96.6	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.6	171.4	67.4	86	0	0	0	109.8	F118 V127 Q139 Y140 I142 Y148	F118-L125 CarbonylContact O-C 3.58Å; F118-L125 WeakPolarHBondContact O-CA 3.27Å; L125-V127 HydrophobicContact CD1-CG2 3.23Å; L125-Q139 CarbonylContact O-C 3.58Å; L125-Q139 WeakPolarHBondContact O-CA 3.27Å; L125-Y140 HydrophobicContact CD1-CD2 3.68Å; L125-Y140 HydrophobicContact CD1-CG 4.2Å; L125-Y140 PolarHBondContact N-O 2.93Å; L125-Y140 PolarHBondContact O-N 3.36Å; L125-I142 HydrophobicContact CD2-CD1 3.83Å; L125-I142 HydrophobicContact CD2-CG1 3.9Å; L125-Y148 HydrophobicContact CD2-CD1 3.96Å; L125-Y148 HydrophobicContact CD2-CE1 3.59Å
126	I	98.1	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.9	170.4	-67.8	168.8	0	0	0	107.4	L117 F118 Q120 C137 R138 Q139 I154 L199	L117-I126 CarbonylContact C-O 3.44Å; L117-I126 WeakPolarHBondContact CA-O 3.4Å; F118-I126 HydrophobicContact CD2-CB 4.32Å; F118-I126 HydrophobicContact CD2-CG2 4.28Å; F118-I126 PolarHBondContact N-O 3.46Å; F118-I126 PolarHBondContact O-N 3.27Å; Q120-I126 VanDerWaalsContact CD-CD1 3.48Å; Q120-I126 HydrophobicContact CG-CD1 4.29Å; Q120-I126 HydrophobicContact CG-CG1 4.44Å; I126-C137 HydrophobicContact CG2-CB 4.22Å; I126-R138 WeakPolarHBondContact CA-O 3.28Å; I126-Q139 HydrophobicContact CG1-CB 4.15Å; I126-Q139 HydrophobicContact CG1-CG 4.08Å; I126-I154 HydrophobicContact CD1-CD1 4.12Å; I126-I154 HydrophobicContact CG1-CD1 4.29Å; I126-L199 HydrophobicContact CD1-CD1 3.28Å; I126-L199 HydrophobicContact CD1-CD2 3.99Å; I126-L199 HydrophobicContact CD1-CG 4.23Å
127	V	98.7	Very high	96.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.1	172.6	-172.1	0	0	0	0	108.3	V74 L88 W90 I114 L117 L125 C137 R138 Y140	V74-V127 HydrophobicContact CG2-CG1 3.69Å; V74-V127 HydrophobicContact CG2-CG2 4.34Å; L88-V127 HydrophobicContact CD2-CG2 3.96Å; W90-V127 HydrophobicContact CE3-CB 4.36Å; W90-V127 HydrophobicContact CE3-CG1 4.09Å; W90-V127 HydrophobicContact CZ3-CB 4.16Å; W90-V127 HydrophobicContact CZ3-CG1 4.07Å; W90-V127 WeakPolarHBondContact CZ3-O 3.44Å; I114-V127 HydrophobicContact CB-CG1 4.45Å; I114-V127 HydrophobicContact CD1-CG1 3.98Å; I114-V127 HydrophobicContact CG1-CG1 4.27Å; I114-V127 HydrophobicContact CG2-CG1 3.38Å; L117-V127 HydrophobicContact CD1-CG2 4.21Å; L125-V127 HydrophobicContact CD1-CG2 3.23Å; V127-C137 CarbonylContact O-C 3.57Å; V127-C137 WeakPolarHBondContact O-CA 3.35Å; V127-R138 PolarHBondContact N-O 3.21Å; V127-R138 PolarHBondContact O-N 3.37Å; V127-Y140 HydrophobicContact CB-CE2 4.16Å; V127-Y140 HydrophobicContact CG2-CD2 3.96Å; V127-Y140 HydrophobicContact CG2-CE2 3.83Å
128	C	98.8	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.3	174.1	-52	0	0	0	0	111.7	R115 L116 A136 C137 V160	R115-C128 PolarHBondContact N-O 3.4Å; L116-C128 HydrophobicContact CB-CB 4.2Å; L116-C128 PolarHBondContact N-O 2.95Å; L116-C128 PolarHBondContact O-N 3.17Å; C128-A136 VanDerWaalsContact CA-O 3.28Å; C128-A136 WeakPolarHBondContact CA-O 3.45Å; C128-C137 HydrophobicContact CB-CB 4.04Å; C128-C137 WeakPolarHBondContact CB-SG 3.42Å; C128-C137 WeakPolarHBondContact SG-CB 3.1Å; C128-C137 CovalentContact SG-SG 2.03Å; C128-C137 PolarHBondContact SG-SG 3.4Å; C128-V160 HydrophobicContact CB-CB 3.99Å; C128-V160 HydrophobicContact CB-CG1 4.04Å; C128-V160 HydrophobicContact CB-CG2 4.29Å
129	G	98.7	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	173.9	179.6	0	0	0	0	0	113.2	N112 F113 N131 A136 V160	N112-G129 VanDerWaalsContact OD1-C 3.22Å; N112-G129 VanDerWaalsContact OD1-CA 3.25Å; N112-G129 WeakPolarHBondContact OD1-CA 3.39Å; F113-G129 WeakPolarHBondContact O-CA 3.4Å; G129-N131 VanDerWaalsContact C-N 3.26Å; G129-N131 PolarHBondContact O-N 3.41Å; G129-A136 PolarHBondContact N-O 2.83Å; G129-A136 PolarHBondContact O-N 3.41Å; G129-A136 VanDerWaalsContact O-N 3.12Å; G129-V160 VanDerWaalsContact O-CG1 3.29Å; G129-V160 WeakPolarHBondContact O-CG1 3.36Å
130	T	98.5	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.			trans	-69.4	-24	-174.7	59	0	0	0	0	113.4	H111 N112 F113 R115 A132 F133 Q134 P164	H111-T130 PolarHBondContact O-OG1 3.2Å; N112-T130 PolarHBondContact OD1-N 3.33Å; F113-T130 HydrophobicContact CB-CG2 4.15Å; F113-T130 WeakPolarHBondContact CD2-OG1 3.45Å; F113-T130 PolarHBondContact N-OG1 3.3Å; F113-T130 PolarHBondContact O-N 3.3Å; F113-T130 VanDerWaalsContact O-N 3.1Å; R115-T130 HydrophobicContact CG-CG2 4.39Å; T130-A132 PolarHBondContact O-N 3.29Å; T130-F133 PolarHBondContact O-N 3.33Å; T130-F133 VanDerWaalsContact O-N 3.07Å; T130-Q134 CarbonylContact O-C 3.55Å; T130-Q134 PolarHBondContact O-N 3.43Å; T130-P164 HydrophobicContact CG2-CB 4.31Å
131	N	98.3	Very high	96.9	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.07	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	36.8	63.8	178.2	-171.5	62.6	0	0	0	113.8	P92 D96 N112 G129 F133 Q134 A136	P92-N131 VanDerWaalsContact CA-OD1 3.29Å; P92-N131 WeakPolarHBondContact CA-OD1 3.47Å; P92-N131 WeakPolarHBondContact CB-OD1 3.19Å; D96-N131 PolarHBondContact OD2-ND2 2.93Å; N112-N131 HydrophobicContact CB-CB 4.33Å; N112-N131 WeakPolarHBondContact OD1-CA 3.24Å; N112-N131 PolarHBondContact OD1-N 3.38Å; G129-N131 VanDerWaalsContact C-N 3.26Å; G129-N131 PolarHBondContact O-N 3.41Å; N131-F133 PolarHBondContact O-N 2.86Å; N131-Q134 WeakPolarHBondContact CB-O 3.22Å; N131-Q134 PolarHBondContact ND2-O 2.84Å; N131-Q134 WeakPolarHBondContact O-CB 3.28Å; N131-Q134 PolarHBondContact O-N 2.85Å; N131-A136 HydrophobicContact CB-CB 4.06Å
132	A	98	Very high	97	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	50.5	-178.9	0	0	0	0	0	113.9	P92 D96 C100 C110 H111 T130 Q134	P92-A132 HydrophobicContact CB-CB 3.93Å; P92-A132 HydrophobicContact CG-CB 4.19Å; D96-A132 HydrophobicContact CB-CB 4.25Å; C100-A132 HydrophobicContact CB-CB 3.91Å; C100-A132 VanDerWaalsContact CB-O 3.32Å; C100-A132 WeakPolarHBondContact CB-O 3.28Å; C110-A132 HydrophobicContact CB-CB 4.26Å; H111-A132 PolarHBondContact O-N 3.42Å; T130-A132 PolarHBondContact O-N 3.29Å; A132-Q134 PolarHBondContact O-N 3.22Å
133	F	97.4	Very high	97.1	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	32.5	-175	-70.9	-106.1	0	0	0	113.1	K105 N109 T130 N131 F162 D163 F187	K105-F133 HydrophobicContact CB-CE2 4.42Å; K105-F133 HydrophobicContact CD-CD1 4.38Å; K105-F133 HydrophobicContact CD-CD2 4.43Å; K105-F133 HydrophobicContact CD-CE1 3.92Å; K105-F133 HydrophobicContact CD-CE2 3.97Å; K105-F133 HydrophobicContact CD-CZ 3.69Å; K105-F133 HydrophobicContact CG-CD1 4.4Å; K105-F133 HydrophobicContact CG-CD2 3.99Å; K105-F133 HydrophobicContact CG-CE1 4.38Å; K105-F133 HydrophobicContact CG-CE2 3.95Å; K105-F133 HydrophobicContact CG-CG 4.23Å; K105-F133 HydrophobicContact CG-CZ 4.16Å; N109-F133 HydrophobicContact CB-CE2 3.96Å; T130-F133 PolarHBondContact O-N 3.33Å; T130-F133 VanDerWaalsContact O-N 3.07Å; N131-F133 PolarHBondContact O-N 2.86Å; F133-F162 HydrophobicContact CB-CD1 4.37Å; F133-F162 HydrophobicContact CD1-CB 3.99Å; F133-F162 WeakPolarHBondContact CD1-O 2.9Å; F133-F162 WeakPolarHBondContact O-CD1 3.37Å; F133-F162 WeakPolarHBondContact O-CE1 3.5Å; F133-D163 HydrophobicContact CE1-CB 3.88Å; F133-D163 HydrophobicContact CZ-CB 4.07Å; F133-D163 WeakPolarHBondContact CZ-OD2 3.45Å; F133-F187 HydrophobicContact CB-CD2 3.83Å; F133-F187 HydrophobicContact CB-CE2 3.55Å; F133-F187 AromaticContact CD1-CD2 3.7Å; F133-F187 HydrophobicContact CD1-CD2 3.7Å; F133-F187 AromaticContact CD1-CE2 3.41Å; F133-F187 HydrophobicContact CD1-CE2 3.41Å; F133-F187 VanDerWaalsContact CD1-CE2 3.41Å; F133-F187 HydrophobicContact CD1-CZ 4.19Å; F133-F187 HydrophobicContact CE1-CE2 4.36Å; F133-F187 HydrophobicContact CG-CD2 4.18Å; F133-F187 AromaticContact CG-CE2 3.7Å; F133-F187 HydrophobicContact CG-CE2 3.7Å
134	Q	97.5	Very high	96.8	Very high	75 Å²	75	29.1 Å²	29.1	35%	0.35	15%	0.148	S	C	.	.	S	Bend	trans	-134.8	72.6	170.2	-171.8	61.8	39.8	0	0	109	T130 N131 A132 A136	T130-Q134 CarbonylContact O-C 3.55Å; T130-Q134 PolarHBondContact O-N 3.43Å; N131-Q134 WeakPolarHBondContact CB-O 3.22Å; N131-Q134 PolarHBondContact ND2-O 2.84Å; N131-Q134 WeakPolarHBondContact O-CB 3.28Å; N131-Q134 PolarHBondContact O-N 2.85Å; A132-Q134 PolarHBondContact O-N 3.22Å; Q134-A136 PolarHBondContact O-N 2.96Å
135	P	98.4	Very high	96.3	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.019	16%	0.161	C	C	.	.			trans	-42.3	124.1	-174.2	-37.3	41.3	0	0	0	114.5	G156 V160 F162	P135-G156 VanDerWaalsContact O-CA 3.26Å; P135-G156 WeakPolarHBondContact O-CA 3.43Å; P135-G156 PolarHBondContact O-N 3.14Å; P135-G156 VanDerWaalsContact O-N 3.12Å; P135-V160 HydrophobicContact CB-CG1 3.67Å; P135-F162 HydrophobicContact CG-CB 4.25Å; P135-F162 HydrophobicContact CG-CD1 3.93Å; P135-F162 HydrophobicContact CG-CD2 3.48Å; P135-F162 VanDerWaalsContact CG-CD2 3.48Å; P135-F162 HydrophobicContact CG-CE1 4.08Å; P135-F162 HydrophobicContact CG-CE2 3.64Å; P135-F162 HydrophobicContact CG-CG 3.61Å; P135-F162 HydrophobicContact CG-CZ 3.93Å
136	A	98.5	Very high	95.8	Very high	19 Å²	19	30.3 Å²	30.3	16%	0.157	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.3	-178.2	0	0	0	0	0	111	W90 C128 G129 N131 Q134	W90-A136 HydrophobicContact CH2-CB 4.08Å; W90-A136 WeakPolarHBondContact CH2-O 3.07Å; W90-A136 HydrophobicContact CZ2-CB 3.96Å; C128-A136 VanDerWaalsContact CA-O 3.28Å; C128-A136 WeakPolarHBondContact CA-O 3.45Å; G129-A136 PolarHBondContact N-O 2.83Å; G129-A136 PolarHBondContact O-N 3.41Å; G129-A136 VanDerWaalsContact O-N 3.12Å; N131-A136 HydrophobicContact CB-CB 4.06Å; Q134-A136 PolarHBondContact O-N 2.96Å
137	C	98.6	Very high	95.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.2	169.7	-66.5	0	0	0	0	109.6	I126 V127 C128 I154	I126-C137 HydrophobicContact CG2-CB 4.22Å; V127-C137 CarbonylContact O-C 3.57Å; V127-C137 WeakPolarHBondContact O-CA 3.35Å; C128-C137 HydrophobicContact CB-CB 4.04Å; C128-C137 WeakPolarHBondContact CB-SG 3.42Å; C128-C137 WeakPolarHBondContact SG-CB 3.1Å; C128-C137 CovalentContact SG-SG 2.03Å; C128-C137 PolarHBondContact SG-SG 3.4Å; C137-I154 CarbonylContact C-O 3.55Å; C137-I154 WeakPolarHBondContact CA-O 3.24Å; C137-I154 HydrophobicContact CB-CB 3.79Å; C137-I154 HydrophobicContact CB-CG2 4.08Å; C137-I154 WeakPolarHBondContact CB-O 3.33Å; C137-I154 PolarHBondContact N-O 2.84Å; C137-I154 PolarHBondContact O-N 3.02Å
138	R	98.3	Very high	95.2	Very high	47 Å²	47	38.2 Å²	38.2	18%	0.177	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	129.5	176.8	-178.8	171.5	-80.8	171.1	3.5	110.3	W90 I126 V127 Y140 I150 D153	W90-R138 HydrophobicContact CH2-CB 3.76Å; W90-R138 HydrophobicContact CZ2-CB 3.81Å; W90-R138 HydrophobicContact CZ3-CB 4.15Å; W90-R138 VanDerWaalsContact NE1-CZ 3.35Å; W90-R138 VanDerWaalsContact NE1-NH1 3.16Å; I126-R138 WeakPolarHBondContact CA-O 3.28Å; V127-R138 PolarHBondContact N-O 3.21Å; V127-R138 PolarHBondContact O-N 3.37Å; R138-Y140 HydrophobicContact CB-CD2 4.45Å; R138-Y140 HydrophobicContact CB-CE2 3.75Å; R138-Y140 WeakPolarHBondContact CD-OH 3.37Å; R138-Y140 HydrophobicContact CG-CD2 4.07Å; R138-Y140 HydrophobicContact CG-CE1 4.15Å; R138-Y140 HydrophobicContact CG-CE2 3.51Å; R138-Y140 WeakPolarHBondContact O-CD2 3.3Å; R138-I150 HydrophobicContact CG-CG2 4.06Å; R138-D153 WeakPolarHBondContact CG-OD1 3.42Å; R138-D153 IonicContact CZ-OD1 3.21Å; R138-D153 IonicContact CZ-OD2 3.83Å; R138-D153 IonicContact NE-OD1 3.57Å; R138-D153 PolarHBondContact NE-OD1 2.89Å; R138-D153 IonicContact NE-OD2 3.69Å; R138-D153 IonicContact NH2-OD1 3.77Å; R138-D153 PolarHBondContact NH2-OD1 2.85Å; R138-D153 IonicContact NH2-OD2 2.89Å; R138-D153 PolarHBondContact NH2-OD2 3.2Å; R138-D153 VanDerWaalsContact NH2-OD2 3.08Å
139	Q	97.5	Very high	95.1	Very high	7 Å²	7	42 Å²	42	3%	0.033	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.6	174.3	-170.5	178.3	31.6	0	0	109.5	L125 I126 V151 K152 I154	L125-Q139 CarbonylContact O-C 3.58Å; L125-Q139 WeakPolarHBondContact O-CA 3.27Å; I126-Q139 HydrophobicContact CG1-CB 4.15Å; I126-Q139 HydrophobicContact CG1-CG 4.08Å; Q139-V151 HydrophobicContact CB-CB 4.23Å; Q139-V151 HydrophobicContact CG-CB 4.12Å; Q139-V151 HydrophobicContact CG-CG1 4.46Å; Q139-V151 WeakPolarHBondContact O-CB 3.27Å; Q139-V151 PolarHBondContact O-N 2.91Å; Q139-K152 HydrophobicContact CB-CG 3.97Å; Q139-K152 PolarHBondContact N-O 2.89Å; Q139-K152 PolarHBondContact O-N 2.8Å; Q139-I154 HydrophobicContact CB-CD1 4.09Å
140	Y	97.8	Very high	95	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.9	175.8	-62	-94	0	0	0	110.7	L88 R124 L125 V127 R138 Q149 I150	L88-Y140 HydrophobicContact CD1-CD1 4.28Å; L88-Y140 HydrophobicContact CD1-CE1 3.69Å; L88-Y140 HydrophobicContact CD2-CD2 4.08Å; L88-Y140 HydrophobicContact CD2-CE1 4.27Å; L88-Y140 HydrophobicContact CD2-CE2 3.8Å; L88-Y140 HydrophobicContact CD2-CG 4.4Å; R124-Y140 CarbonylContact C-O 3.46Å; R124-Y140 WeakPolarHBondContact CA-O 3.01Å; L125-Y140 HydrophobicContact CD1-CD2 3.68Å; L125-Y140 HydrophobicContact CD1-CG 4.2Å; L125-Y140 PolarHBondContact N-O 2.93Å; L125-Y140 PolarHBondContact O-N 3.36Å; V127-Y140 HydrophobicContact CB-CE2 4.16Å; V127-Y140 HydrophobicContact CG2-CD2 3.96Å; V127-Y140 HydrophobicContact CG2-CE2 3.83Å; R138-Y140 HydrophobicContact CB-CD2 4.45Å; R138-Y140 HydrophobicContact CB-CE2 3.75Å; R138-Y140 WeakPolarHBondContact CD-OH 3.37Å; R138-Y140 HydrophobicContact CG-CD2 4.07Å; R138-Y140 HydrophobicContact CG-CE1 4.15Å; R138-Y140 HydrophobicContact CG-CE2 3.51Å; R138-Y140 WeakPolarHBondContact O-CD2 3.3Å; Y140-Q149 CarbonylContact C-O 3.5Å; Y140-Q149 VanDerWaalsContact CA-O 3.23Å; Y140-Q149 WeakPolarHBondContact CA-O 3.29Å; Y140-I150 HydrophobicContact CD1-CG1 4.09Å; Y140-I150 HydrophobicContact CE1-CG1 3.73Å
141	R	97.1	Very high	94.8	Very high	125 Å²	125	49.5 Å²	49.5	47%	0.472	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128	164.5	179.3	175.1	62.2	166.2	-2.1	108.1	R124 Q149 V151	R124-R141 HydrophobicContact CG-CB 4.48Å; R141-Q149 PolarHBondContact N-O 2.83Å; R141-Q149 PolarHBondContact O-N 3.26Å; R141-V151 HydrophobicContact CB-CG2 3.67Å
142	I	93.1	Very high	94.7	Very high	53 Å²	53	52.9 Å²	52.9	27%	0.272	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.5	174.8	-43.7	174.1	0	0	0	107.2	S123 L125 Y148	S123-I142 PolarHBondContact O-N 3.07Å; L125-I142 HydrophobicContact CD2-CD1 3.83Å; L125-I142 HydrophobicContact CD2-CG1 3.9Å; I142-Y148 HydrophobicContact CD1-CE1 4.37Å; I142-Y148 HydrophobicContact CG1-CD1 4.09Å; I142-Y148 HydrophobicContact CG1-CE1 4.01Å
143	S	91.1	Very high	94.6	Very high	25 Å²	25	57.5 Å²	57.5	18%	0.175	30%	0.303	C	S	.	.			trans	-70	168.5	174.4	63.1	0	0	0	0	111.6	T145 G146 E147	S143-T145 PolarHBondContact O-N 2.59Å; S143-T145 PolarHBondContact OG-OG1 2.83Å; S143-G146 WeakPolarHBondContact O-CA 3.23Å; S143-G146 PolarHBondContact O-N 3.08Å; S143-G146 PolarHBondContact OG-N 2.9Å; S143-E147 PolarHBondContact N-O 2.81Å; S143-E147 WeakPolarHBondContact OG-CA 3.5Å; S143-E147 WeakPolarHBondContact OG-CB 3.24Å; S143-E147 PolarHBondContact OG-N 3.45Å; S143-E147 PolarHBondContact OG-O 2.83Å
144	S	86.7	Confident	94.6	Very high	133 Å²	133	58.3 Å²	58.3	93%	0.93	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.9	174.9	49.1	0	0	0	0	113.1	G146	S144-G146 PolarHBondContact O-N 3.03Å
145	T	86.2	Confident	94.5	Very high	103 Å²	103	58.7 Å²	58.7	63%	0.632	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.5	171.4	60.4	0	0	0	0	112.6	S143 E147	S143-T145 PolarHBondContact O-N 2.59Å; S143-T145 PolarHBondContact OG-OG1 2.83Å; T145-E147 VanDerWaalsContact C-N 3.33Å
146	G	84.9	Confident	94.5	Very high	23 Å²	23	58.6 Å²	58.6	24%	0.237	31%	0.311	C	S	.	.			trans	83.3	0.2	-179.2	0	0	0	0	0	114.2	K86 S143 S144	K86-G146 WeakPolarHBondContact CE-O 3.35Å; K86-G146 PolarHBondContact NZ-O 2.97Å; S143-G146 WeakPolarHBondContact O-CA 3.23Å; S143-G146 PolarHBondContact O-N 3.08Å; S143-G146 PolarHBondContact OG-N 2.9Å; S144-G146 PolarHBondContact O-N 3.03Å
147	E	90.8	Very high	94.4	Very high	117 Å²	117	60.5 Å²	60.5	55%	0.547	32%	0.318	S	S	.	.			trans	-68.2	144.1	175.5	-64.3	179.7	173.8	0	0	112.3	S143 T145	S143-E147 PolarHBondContact N-O 2.81Å; S143-E147 WeakPolarHBondContact OG-CA 3.5Å; S143-E147 WeakPolarHBondContact OG-CB 3.24Å; S143-E147 PolarHBondContact OG-N 3.45Å; S143-E147 PolarHBondContact OG-O 2.83Å; T145-E147 VanDerWaalsContact C-N 3.33Å
148	Y	93.8	Very high	94.3	Very high	51 Å²	51	60.6 Å²	60.6	20%	0.2	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118	178.8	-59	-70.6	0	0	0	110.3	K86 L88 L125 I142	K86-Y148 HydrophobicContact CD-CD2 4.31Å; K86-Y148 HydrophobicContact CD-CE2 3.47Å; K86-Y148 VanDerWaalsContact CD-CE2 3.47Å; K86-Y148 HydrophobicContact CG-CE2 4.05Å; L88-Y148 HydrophobicContact CB-CD2 3.85Å; L88-Y148 HydrophobicContact CB-CE2 3.8Å; L88-Y148 HydrophobicContact CD1-CD2 3.76Å; L88-Y148 HydrophobicContact CD1-CG 3.94Å; L88-Y148 HydrophobicContact CD2-CD1 4.43Å; L88-Y148 HydrophobicContact CD2-CD2 4.31Å; L88-Y148 HydrophobicContact CD2-CG 4.24Å; L88-Y148 HydrophobicContact CG-CD2 4.18Å; L88-Y148 HydrophobicContact CG-CG 4.48Å; L125-Y148 HydrophobicContact CD2-CD1 3.96Å; L125-Y148 HydrophobicContact CD2-CE1 3.59Å; I142-Y148 HydrophobicContact CD1-CE1 4.37Å; I142-Y148 HydrophobicContact CG1-CD1 4.09Å; I142-Y148 HydrophobicContact CG1-CE1 4.01Å
149	Q	95.2	Very high	94.3	Very high	78 Å²	78	58.4 Å²	58.4	36%	0.364	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.3	175.4	-65.5	177.8	-9	0	0	109.6	Y140 R141 V151	Y140-Q149 CarbonylContact C-O 3.5Å; Y140-Q149 VanDerWaalsContact CA-O 3.23Å; Y140-Q149 WeakPolarHBondContact CA-O 3.29Å; R141-Q149 PolarHBondContact N-O 2.83Å; R141-Q149 PolarHBondContact O-N 3.26Å; Q149-V151 PolarHBondContact O-N 3.11Å
150	I	96.7	Very high	94.3	Very high	100 Å²	100	58 Å²	58	51%	0.513	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128.9	177	-56.3	178.2	0	0	0	108.8	R138 Y140	R138-I150 HydrophobicContact CG-CG2 4.06Å; Y140-I150 HydrophobicContact CD1-CG1 4.09Å; Y140-I150 HydrophobicContact CE1-CG1 3.73Å
151	V	95.7	Very high	94.3	Very high	58 Å²	58	57.8 Å²	57.8	35%	0.352	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-53.9	176.5	177.5	0	0	0	0	110.2	Q139 R141 Q149	Q139-V151 HydrophobicContact CB-CB 4.23Å; Q139-V151 HydrophobicContact CG-CB 4.12Å; Q139-V151 HydrophobicContact CG-CG1 4.46Å; Q139-V151 WeakPolarHBondContact O-CB 3.27Å; Q139-V151 PolarHBondContact O-N 2.91Å; R141-V151 HydrophobicContact CB-CG2 3.67Å; Q149-V151 PolarHBondContact O-N 3.11Å
152	K	95.5	Very high	94.4	Very high	84 Å²	84	52.5 Å²	52.5	37%	0.365	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	152.8	176.9	63.2	176.7	-176.2	177.6	0	111.3	Q139 I154 L199	Q139-K152 HydrophobicContact CB-CG 3.97Å; Q139-K152 PolarHBondContact N-O 2.89Å; Q139-K152 PolarHBondContact O-N 2.8Å; K152-I154 HydrophobicContact CD-CG1 4.36Å; K152-I154 HydrophobicContact CG-CD1 4.47Å; K152-I154 HydrophobicContact CG-CG1 4.17Å; K152-L199 PolarHBondContact NZ-O 3.06Å
153	D	96.7	Very high	94.6	Very high	100 Å²	100	50.6 Å²	50.6	54%	0.535	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	145.2	165.2	-73.6	-27.5	0	0	0	110.5	R138	R138-D153 WeakPolarHBondContact CG-OD1 3.42Å; R138-D153 IonicContact CZ-OD1 3.21Å; R138-D153 IonicContact CZ-OD2 3.83Å; R138-D153 IonicContact NE-OD1 3.57Å; R138-D153 PolarHBondContact NE-OD1 2.89Å; R138-D153 IonicContact NE-OD2 3.69Å; R138-D153 IonicContact NH2-OD1 3.77Å; R138-D153 PolarHBondContact NH2-OD1 2.85Å; R138-D153 IonicContact NH2-OD2 2.89Å; R138-D153 PolarHBondContact NH2-OD2 3.2Å; R138-D153 VanDerWaalsContact NH2-OD2 3.08Å
154	I	96.4	Very high	94.8	Very high	18 Å²	18	49.6 Å²	49.6	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.2	-175.2	-61.8	162.7	0	0	0	106.9	I126 C137 Q139 K152 G156 K197 L199	I126-I154 HydrophobicContact CD1-CD1 4.12Å; I126-I154 HydrophobicContact CG1-CD1 4.29Å; C137-I154 CarbonylContact C-O 3.55Å; C137-I154 WeakPolarHBondContact CA-O 3.24Å; C137-I154 HydrophobicContact CB-CB 3.79Å; C137-I154 HydrophobicContact CB-CG2 4.08Å; C137-I154 WeakPolarHBondContact CB-O 3.33Å; C137-I154 PolarHBondContact N-O 2.84Å; C137-I154 PolarHBondContact O-N 3.02Å; Q139-I154 HydrophobicContact CB-CD1 4.09Å; K152-I154 HydrophobicContact CD-CG1 4.36Å; K152-I154 HydrophobicContact CG-CD1 4.47Å; K152-I154 HydrophobicContact CG-CG1 4.17Å; I154-G156 PolarHBondContact O-N 2.99Å; I154-K197 HydrophobicContact CG2-CD 4.21Å; I154-K197 VanDerWaalsContact CG2-CE 3.45Å; I154-L199 HydrophobicContact CD1-CD2 4.05Å; I154-L199 HydrophobicContact CG2-CD2 4.38Å
155	D	96.1	Very high	95.3	Very high	83 Å²	83	49.9 Å²	49.9	44%	0.444	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	124.2	174.4	169	37.7	0	0	0	111.3	I157 K197	D155-I157 WeakPolarHBondContact OD1-CB 3.46Å; D155-I157 WeakPolarHBondContact OD1-CG1 3.28Å; D155-I157 PolarHBondContact OD1-N 2.92Å; D155-K197 WeakPolarHBondContact O-CE 3.21Å; D155-K197 PolarHBondContact O-NZ 3.38Å; D155-K197 IonicContact OD2-NZ 2.83Å
156	G	97.3	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.			trans	-90.7	-6.3	-177.3	0	0	0	0	0	114.1	P135 I154 A158 V159 V160	P135-G156 VanDerWaalsContact O-CA 3.26Å; P135-G156 WeakPolarHBondContact O-CA 3.43Å; P135-G156 PolarHBondContact O-N 3.14Å; P135-G156 VanDerWaalsContact O-N 3.12Å; I154-G156 PolarHBondContact O-N 2.99Å; G156-A158 PolarHBondContact O-N 3.45Å; G156-V159 WeakPolarHBondContact O-CB 3.1Å; G156-V159 PolarHBondContact O-N 3.37Å; G156-V160 PolarHBondContact O-N 2.65Å; G156-V160 VanDerWaalsContact O-N 3.08Å
157	I	97.5	Very high	96.3	Very high	59 Å²	59	49 Å²	49	30%	0.303	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	135.5	176.5	-65.1	173.2	0	0	0	109.6	D155 V159 F162 A185	D155-I157 WeakPolarHBondContact OD1-CB 3.46Å; D155-I157 WeakPolarHBondContact OD1-CG1 3.28Å; D155-I157 PolarHBondContact OD1-N 2.92Å; I157-V159 PolarHBondContact O-N 3.46Å; I157-V159 VanDerWaalsContact O-N 3.14Å; I157-F162 HydrophobicContact CG1-CZ 4.28Å; I157-A185 HydrophobicContact CG2-CB 4.42Å
158	A	96.3	Very high	96.5	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.033	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-0.2	-174.1	0	0	0	0	0	116.3	G156 S181 T183 A185 L193 F195	G156-A158 PolarHBondContact O-N 3.45Å; A158-S181 WeakPolarHBondContact O-CB 3.37Å; A158-S181 PolarHBondContact O-OG 3.17Å; A158-T183 WeakPolarHBondContact O-CG2 3.39Å; A158-A185 HydrophobicContact CB-CB 4.06Å; A158-L193 HydrophobicContact CB-CD1 3.74Å; A158-L193 HydrophobicContact CB-CD2 3.99Å; A158-L193 HydrophobicContact CB-CG 4.32Å; A158-F195 HydrophobicContact CB-CB 4.29Å; A158-F195 HydrophobicContact CB-CD1 3.67Å; A158-F195 HydrophobicContact CB-CE1 4.07Å; A158-F195 HydrophobicContact CB-CG 3.94Å
159	V	98.2	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-47.4	173.1	-178.4	0	0	0	0	110.4	L116 G156 I157 L179 K197	L116-V159 HydrophobicContact CD1-CG1 4.09Å; L116-V159 VanDerWaalsContact CD1-O 3.24Å; L116-V159 WeakPolarHBondContact CD1-O 3.47Å; G156-V159 WeakPolarHBondContact O-CB 3.1Å; G156-V159 PolarHBondContact O-N 3.37Å; I157-V159 PolarHBondContact O-N 3.46Å; I157-V159 VanDerWaalsContact O-N 3.14Å; V159-L179 HydrophobicContact CG1-CD1 4.21Å; V159-K197 HydrophobicContact CG2-CB 4.27Å; V159-K197 HydrophobicContact CG2-CD 3.55Å
160	V	98.2	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-128.5	146.4	-176.9	71.6	0	0	0	0	109.5	R115 L116 C128 G129 P135 G156	R115-V160 HydrophobicContact CB-CG2 3.72Å; R115-V160 HydrophobicContact CG-CG2 3.94Å; L116-V160 HydrophobicContact CD1-CB 4.27Å; L116-V160 HydrophobicContact CD1-CG2 4.44Å; C128-V160 HydrophobicContact CB-CB 3.99Å; C128-V160 HydrophobicContact CB-CG1 4.04Å; C128-V160 HydrophobicContact CB-CG2 4.29Å; G129-V160 VanDerWaalsContact O-CG1 3.29Å; G129-V160 WeakPolarHBondContact O-CG1 3.36Å; P135-V160 HydrophobicContact CB-CG1 3.67Å; G156-V160 PolarHBondContact O-N 2.65Å; G156-V160 VanDerWaalsContact O-N 3.08Å
161	P	97.8	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.			trans	-71.2	163	-177.9	26.1	-34.6	0	0	0	112.6	Q166 T168 V184	P161-Q166 HydrophobicContact CB-CB 3.69Å; P161-Q166 HydrophobicContact CG-CB 4.2Å; P161-T168 HydrophobicContact CG-CG2 3.93Å; P161-V184 HydrophobicContact CB-CG2 4.38Å
162	F	97.7	Very high	97	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.057	17%	0.172	C	C	.	.	S	Bend	trans	-74	-30.3	172.3	-76.6	-107.4	0	0	0	112.2	F133 P135 I157 D186 F187	F133-F162 HydrophobicContact CB-CD1 4.37Å; F133-F162 HydrophobicContact CD1-CB 3.99Å; F133-F162 WeakPolarHBondContact CD1-O 2.9Å; F133-F162 WeakPolarHBondContact O-CD1 3.37Å; F133-F162 WeakPolarHBondContact O-CE1 3.5Å; P135-F162 HydrophobicContact CG-CB 4.25Å; P135-F162 HydrophobicContact CG-CD1 3.93Å; P135-F162 HydrophobicContact CG-CD2 3.48Å; P135-F162 VanDerWaalsContact CG-CD2 3.48Å; P135-F162 HydrophobicContact CG-CE1 4.08Å; P135-F162 HydrophobicContact CG-CE2 3.64Å; P135-F162 HydrophobicContact CG-CG 3.61Å; P135-F162 HydrophobicContact CG-CZ 3.93Å; I157-F162 HydrophobicContact CG1-CZ 4.28Å; F162-D186 VanDerWaalsContact CD2-C 3.47Å; F162-D186 WeakPolarHBondContact CD2-O 3.38Å; F162-F187 HydrophobicContact CD1-CB 4.04Å; F162-F187 HydrophobicContact CD1-CD2 4.01Å; F162-F187 HydrophobicContact CE1-CB 4.23Å
163	D	97.3	Very high	97.1	Very high	14 Å²	14	31.1 Å²	31.1	8%	0.075	16%	0.157	C	C	.	.	S	Bend	trans	-118	132.5	-176.8	-168.2	-52.8	0	0	0	110.4	F133 R165 Q166	F133-D163 HydrophobicContact CE1-CB 3.88Å; F133-D163 HydrophobicContact CZ-CB 4.07Å; F133-D163 WeakPolarHBondContact CZ-OD2 3.45Å; D163-R165 PolarHBondContact O-N 2.95Å; D163-R165 VanDerWaalsContact O-N 3.15Å; D163-R165 VanDerWaalsContact OD1-CB 3.24Å; D163-R165 WeakPolarHBondContact OD1-CB 3.28Å; D163-R165 WeakPolarHBondContact OD1-CG 3.17Å; D163-R165 IonicContact OD1-CZ 2.83Å; D163-R165 PolarHBondContact OD1-N 2.98Å; D163-R165 IonicContact OD1-NE 3.25Å; D163-R165 PolarHBondContact OD1-NE 3.31Å; D163-R165 IonicContact OD1-NH2 3.41Å; D163-R165 IonicContact OD2-CZ 2.8Å; D163-R165 IonicContact OD2-NE 3.55Å; D163-R165 PolarHBondContact OD2-NE 2.89Å; D163-R165 IonicContact OD2-NH2 2.77Å; D163-R165 PolarHBondContact OD2-NH2 3.28Å; D163-Q166 HydrophobicContact CB-CG 4.08Å; D163-Q166 WeakPolarHBondContact O-CB 3.12Å; D163-Q166 PolarHBondContact O-N 3.39Å; D163-Q166 VanDerWaalsContact O-N 3.11Å
164	P	96.6	Very high	96.9	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.019	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.4	-179.2	27.9	-37.4	0	0	0	114.2	F55 F113 T130 Q166	F55-P164 HydrophobicContact CB-CB 4.08Å; F55-P164 HydrophobicContact CD1-CB 3.99Å; F55-P164 HydrophobicContact CD1-CG 4.26Å; F55-P164 HydrophobicContact CD2-CB 3.94Å; F55-P164 HydrophobicContact CD2-CG 3.72Å; F55-P164 HydrophobicContact CE1-CB 4.39Å; F55-P164 HydrophobicContact CE1-CG 4.23Å; F55-P164 HydrophobicContact CE2-CB 4.33Å; F55-P164 HydrophobicContact CE2-CG 3.67Å; F55-P164 HydrophobicContact CG-CB 3.74Å; F55-P164 HydrophobicContact CG-CG 4.01Å; F55-P164 HydrophobicContact CZ-CG 3.93Å; F113-P164 HydrophobicContact CB-CB 3.77Å; F113-P164 HydrophobicContact CB-CG 4.37Å; F113-P164 HydrophobicContact CD2-CB 3.97Å; F113-P164 HydrophobicContact CD2-CG 3.59Å; F113-P164 HydrophobicContact CE2-CG 3.99Å; F113-P164 HydrophobicContact CG-CB 3.87Å; F113-P164 HydrophobicContact CG-CG 3.97Å; T130-P164 HydrophobicContact CG2-CB 4.31Å; P164-Q166 VanDerWaalsContact C-N 3.29Å
165	R	95.8	Very high	96.7	Very high	139 Å²	139	34.9 Å²	34.9	53%	0.525	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.8	178	-63.6	167.7	-75	-152.3	-5.8	113.1	F55 D163	F55-R165 HydrophobicContact CE1-CG 3.64Å; F55-R165 HydrophobicContact CZ-CG 3.84Å; D163-R165 PolarHBondContact O-N 2.95Å; D163-R165 VanDerWaalsContact O-N 3.15Å; D163-R165 VanDerWaalsContact OD1-CB 3.24Å; D163-R165 WeakPolarHBondContact OD1-CB 3.28Å; D163-R165 WeakPolarHBondContact OD1-CG 3.17Å; D163-R165 IonicContact OD1-CZ 2.83Å; D163-R165 PolarHBondContact OD1-N 2.98Å; D163-R165 IonicContact OD1-NE 3.25Å; D163-R165 PolarHBondContact OD1-NE 3.31Å; D163-R165 IonicContact OD1-NH2 3.41Å; D163-R165 IonicContact OD2-CZ 2.8Å; D163-R165 IonicContact OD2-NE 3.55Å; D163-R165 PolarHBondContact OD2-NE 2.89Å; D163-R165 IonicContact OD2-NH2 2.77Å; D163-R165 PolarHBondContact OD2-NH2 3.28Å
166	Q	96.6	Very high	96.5	Very high	37 Å²	37	33 Å²	33	17%	0.173	17%	0.171	C	C	.	.	S	Bend	trans	-80	135	178.2	-70.6	165.3	-9.1	0	0	110.7	P161 D163 P164 V184	P161-Q166 HydrophobicContact CB-CB 3.69Å; P161-Q166 HydrophobicContact CG-CB 4.2Å; D163-Q166 HydrophobicContact CB-CG 4.08Å; D163-Q166 WeakPolarHBondContact O-CB 3.12Å; D163-Q166 PolarHBondContact O-N 3.39Å; D163-Q166 VanDerWaalsContact O-N 3.11Å; P164-Q166 VanDerWaalsContact C-N 3.29Å; Q166-V184 HydrophobicContact CG-CG2 4.46Å
167	N	95.4	Very high	96.4	Very high	72 Å²	72	34.3 Å²	34.3	39%	0.385	18%	0.179	S	C	.	.			trans	-72.8	131.7	177.9	-69	-39.2	0	0	0	110.6	Q220 F221	N167-Q220 PolarHBondContact ND2-OE1 3.29Å; N167-F221 WeakPolarHBondContact CB-O 3.4Å
168	T	96.3	Very high	96.3	Very high	15 Å²	15	31.7 Å²	31.7	9%	0.092	17%	0.165	C	C	.	.			trans	-140.5	143.5	179.7	-177.9	0	0	0	0	109.7	R115 P161	R115-T168 HydrophobicContact CB-CG2 4.15Å; P161-T168 HydrophobicContact CG-CG2 3.93Å
169	T	98.4	Very high	96.4	Very high	17 Å²	17	31.5 Å²	31.5	10%	0.104	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.2	173.5	-167.6	0	0	0	0	109	A182 F221 A223 S224 F233	T169-A182 HydrophobicContact CG2-CB 4.02Å; T169-A182 PolarHBondContact N-O 2.8Å; T169-A182 PolarHBondContact O-N 2.91Å; T169-F221 HydrophobicContact CG2-CB 3.88Å; T169-A223 VanDerWaalsContact OG1-C 3.23Å; T169-A223 WeakPolarHBondContact OG1-CA 3.39Å; T169-S224 WeakPolarHBondContact OG1-CB 3.48Å; T169-S224 PolarHBondContact OG1-N 3.23Å; T169-S224 PolarHBondContact OG1-OG 2.69Å; T169-F233 HydrophobicContact CG2-CD1 4.32Å
170	A	98.4	Very high	96.4	Very high	18 Å²	18	31.5 Å²	31.5	15%	0.149	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	155.2	-179.7	0	0	0	0	0	111.6	L116 F118 Y180 S224	L116-A170 HydrophobicContact CD1-CB 3.86Å; L116-A170 HydrophobicContact CD2-CB 4.07Å; F118-A170 HydrophobicContact CE1-CB 4.16Å; F118-A170 HydrophobicContact CZ-CB 3.65Å; A170-Y180 CarbonylContact C-O 3.46Å; A170-Y180 WeakPolarHBondContact CA-O 3.36Å; A170-Y180 WeakPolarHBondContact CB-O 3.39Å; A170-S224 PolarHBondContact N-OG 2.62Å
171	V	97.8	Very high	96.4	Very high	24 Å²	24	31.5 Å²	31.5	15%	0.145	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.5	177.7	177.8	0	0	0	0	108.5	L173 Y180 S224 A226	V171-L173 HydrophobicContact CG1-CD2 3.88Å; V171-Y180 PolarHBondContact N-O 2.65Å; V171-Y180 PolarHBondContact O-N 2.92Å; V171-S224 WeakPolarHBondContact CG2-O 3.47Å; V171-S224 WeakPolarHBondContact CG2-OG 3.21Å; V171-A226 HydrophobicContact CG1-CB 4.17Å
172	Y	97.4	Very high	96.4	Very high	31 Å²	31	31.5 Å²	31.5	12%	0.122	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.3	169.7	171.1	-114.5	0	0	0	110.1	F118 K119 Q120 D177 E178 L179 L199	F118-Y172 HydrophobicContact CB-CD1 4.22Å; F118-Y172 HydrophobicContact CB-CG 3.98Å; F118-Y172 VanDerWaalsContact CD1-CB 3.43Å; F118-Y172 HydrophobicContact CG-CG 4.39Å; K119-Y172 WeakPolarHBondContact O-CD1 2.93Å; K119-Y172 VanDerWaalsContact O-CE1 3.31Å; K119-Y172 WeakPolarHBondContact O-CE1 3.46Å; Q120-Y172 HydrophobicContact CB-CE1 4.27Å; Q120-Y172 HydrophobicContact CG-CD1 4.48Å; Q120-Y172 HydrophobicContact CG-CE1 3.74Å; Q120-Y172 HydrophobicContact CG-CE2 4.31Å; Q120-Y172 PolarHBondContact NE2-OH 3.38Å; Y172-D177 VanDerWaalsContact CE2-OD1 3.27Å; Y172-D177 WeakPolarHBondContact CE2-OD1 3.25Å; Y172-D177 PolarHBondContact OH-OD1 3.27Å; Y172-E178 WeakPolarHBondContact CD2-O 3.23Å; Y172-L179 HydrophobicContact CD2-CD2 3.7Å; Y172-L179 HydrophobicContact CD2-CG 4.36Å; Y172-L179 HydrophobicContact CG-CD2 4.06Å; Y172-L199 HydrophobicContact CD2-CD1 3.94Å; Y172-L199 HydrophobicContact CE2-CD1 3.66Å
173	L	96.3	Very high	96.5	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	109.6	173.7	-59.2	-170.6	0	0	0	109.2	V171 E175 D177 E178 Y180 A226 V231 K258	V171-L173 HydrophobicContact CG1-CD2 3.88Å; L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.47Å; L173-D177 VanDerWaalsContact O-CA 3.32Å; L173-D177 WeakPolarHBondContact O-CA 2.75Å; L173-D177 PolarHBondContact O-N 3.41Å; L173-E178 PolarHBondContact N-O 2.87Å; L173-E178 PolarHBondContact O-N 2.8Å; L173-Y180 HydrophobicContact CD1-CD2 3.92Å; L173-Y180 HydrophobicContact CD1-CE2 3.53Å; L173-Y180 HydrophobicContact CG-CD2 4.1Å; L173-Y180 HydrophobicContact CG-CE2 4.15Å; L173-A226 HydrophobicContact CD2-CB 3.68Å; L173-V231 HydrophobicContact CD1-CG2 4.27Å; L173-K258 HydrophobicContact CD1-CD 3.99Å; L173-K258 HydrophobicContact CD1-CG 3.95Å
174	S	93.5	Very high	96.5	Very high	69 Å²	69	31 Å²	31	48%	0.483	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.1	-178.2	65.5	0	0	0	0	113.4
175	E	92.3	Very high	96.4	Very high	127 Å²	127	31.5 Å²	31.5	59%	0.593	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-35.4	-179.1	62.6	-87.2	-152.7	0	0	112.9	L173 K258	L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.47Å; E175-K258 IonicContact OE1-NZ 3.08Å
176	S	92.4	Very high	96.3	Very high	43 Å²	43	25.8 Å²	25.8	30%	0.301	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-9	178.3	59.7	0	0	0	0	113.4	E178	S176-E178 VanDerWaalsContact CB-OE2 3.25Å; S176-E178 WeakPolarHBondContact CB-OE2 3.18Å; S176-E178 WeakPolarHBondContact OG-CG 3.34Å; S176-E178 PolarHBondContact OG-OE2 2.75Å
177	D	94.3	Very high	96.2	Very high	29 Å²	29	27.2 Å²	27.2	16%	0.155	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	49.5	-171.2	-158.5	38.2	0	0	0	112.2	Q120 Y172 L173 L199 S200	Q120-D177 PolarHBondContact NE2-OD1 2.76Å; Y172-D177 VanDerWaalsContact CE2-OD1 3.27Å; Y172-D177 WeakPolarHBondContact CE2-OD1 3.25Å; Y172-D177 PolarHBondContact OH-OD1 3.27Å; L173-D177 VanDerWaalsContact O-CA 3.32Å; L173-D177 WeakPolarHBondContact O-CA 2.75Å; L173-D177 PolarHBondContact O-N 3.41Å; D177-L199 VanDerWaalsContact O-CB 3.22Å; D177-L199 WeakPolarHBondContact O-CB 3.34Å; D177-L199 PolarHBondContact O-N 2.75Å; D177-S200 WeakPolarHBondContact OD2-CB 3.45Å; D177-S200 PolarHBondContact OD2-OG 2.86Å
178	E	95.7	Very high	96.1	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.019	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144	-176.6	-65	171.7	145.9	0	0	111.5	Y172 L173 S176 Y180 R196 T203	Y172-E178 WeakPolarHBondContact CD2-O 3.23Å; L173-E178 PolarHBondContact N-O 2.87Å; L173-E178 PolarHBondContact O-N 2.8Å; S176-E178 VanDerWaalsContact CB-OE2 3.25Å; S176-E178 WeakPolarHBondContact CB-OE2 3.18Å; S176-E178 WeakPolarHBondContact OG-CG 3.34Å; S176-E178 PolarHBondContact OG-OE2 2.75Å; E178-Y180 HydrophobicContact CB-CD2 4.44Å; E178-Y180 HydrophobicContact CB-CE2 4Å; E178-R196 HydrophobicContact CB-CG 4.29Å; E178-R196 IonicContact OE1-NE 2.85Å; E178-T203 WeakPolarHBondContact OE1-CB 3.4Å; E178-T203 WeakPolarHBondContact OE1-CG2 3.4Å; E178-T203 PolarHBondContact OE1-OG1 3.25Å
179	L	97.2	Very high	95.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.7	171.2	-66.9	173.1	0	0	0	110.1	F118 V159 Y172 R196 K197 L199	F118-L179 HydrophobicContact CD1-CD2 4.15Å; F118-L179 HydrophobicContact CD2-CD1 4.41Å; F118-L179 HydrophobicContact CD2-CD2 3.45Å; F118-L179 VanDerWaalsContact CD2-CD2 3.45Å; F118-L179 HydrophobicContact CE1-CD2 4.19Å; F118-L179 HydrophobicContact CE2-CD1 4.23Å; F118-L179 HydrophobicContact CE2-CD2 3.5Å; F118-L179 HydrophobicContact CG-CD2 3.78Å; F118-L179 HydrophobicContact CZ-CD2 3.87Å; V159-L179 HydrophobicContact CG1-CD1 4.21Å; Y172-L179 HydrophobicContact CD2-CD2 3.7Å; Y172-L179 HydrophobicContact CD2-CG 4.36Å; Y172-L179 HydrophobicContact CG-CD2 4.06Å; L179-R196 CarbonylContact O-C 3.43Å; L179-R196 VanDerWaalsContact O-CA 3.24Å; L179-R196 WeakPolarHBondContact O-CA 3.44Å; L179-K197 HydrophobicContact CB-CB 4.25Å; L179-K197 PolarHBondContact N-O 2.82Å; L179-K197 PolarHBondContact O-N 2.85Å; L179-L199 HydrophobicContact CD1-CD1 4.04Å; L179-L199 HydrophobicContact CD1-CD2 3.84Å; L179-L199 HydrophobicContact CD1-CG 4.23Å; L179-L199 HydrophobicContact CD2-CD1 4.35Å; L179-L199 HydrophobicContact CG-CD1 3.75Å; L179-L199 HydrophobicContact CG-CD2 4.29Å; L179-L199 HydrophobicContact CG-CG 4.12Å
180	Y	98.6	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.6	171	-76.2	-105.9	0	0	0	108	A170 V171 L173 E178 F195 R196 V231 V256 K258 W271	A170-Y180 CarbonylContact C-O 3.46Å; A170-Y180 WeakPolarHBondContact CA-O 3.36Å; A170-Y180 WeakPolarHBondContact CB-O 3.39Å; V171-Y180 PolarHBondContact N-O 2.65Å; V171-Y180 PolarHBondContact O-N 2.92Å; L173-Y180 HydrophobicContact CD1-CD2 3.92Å; L173-Y180 HydrophobicContact CD1-CE2 3.53Å; L173-Y180 HydrophobicContact CG-CD2 4.1Å; L173-Y180 HydrophobicContact CG-CE2 4.15Å; E178-Y180 HydrophobicContact CB-CD2 4.44Å; E178-Y180 HydrophobicContact CB-CE2 4Å; Y180-F195 CarbonylContact C-O 3.46Å; Y180-F195 WeakPolarHBondContact CA-O 3.36Å; Y180-R196 HydrophobicContact CD1-CB 4.43Å; Y180-R196 HydrophobicContact CD2-CG 4.46Å; Y180-R196 HydrophobicContact CE1-CB 4.3Å; Y180-R196 HydrophobicContact CE1-CG 4.42Å; Y180-R196 HydrophobicContact CE2-CG 4.06Å; Y180-R196 WeakPolarHBondContact OH-CD 3.49Å; Y180-R196 PolarHBondContact OH-NH1 2.9Å; Y180-V231 HydrophobicContact CD1-CB 4.05Å; Y180-V231 HydrophobicContact CD1-CG1 4.32Å; Y180-V231 HydrophobicContact CD1-CG2 3.8Å; Y180-V231 HydrophobicContact CD2-CG2 4.3Å; Y180-V231 HydrophobicContact CE1-CB 4.48Å; Y180-V231 HydrophobicContact CE1-CG2 3.98Å; Y180-V231 HydrophobicContact CE2-CG2 4.5Å; Y180-V231 HydrophobicContact CG-CB 4.44Å; Y180-V231 HydrophobicContact CG-CG1 4.36Å; Y180-V231 HydrophobicContact CG-CG2 3.96Å; Y180-V256 HydrophobicContact CD1-CG2 3.92Å; Y180-V256 HydrophobicContact CE1-CG2 3.83Å; Y180-K258 PolarHBondContact OH-O 2.83Å; Y180-W271 HydrophobicContact CD1-CH2 4.12Å; Y180-W271 AromaticContact CE1-CH2 3.57Å; Y180-W271 HydrophobicContact CE1-CH2 3.57Å; Y180-W271 HydrophobicContact CE1-CZ2 4.37Å; Y180-W271 HydrophobicContact CE1-CZ3 4.29Å
181	S	98.6	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	149	-176.1	51.6	0	0	0	0	111.6	A158 V194 F195	A158-S181 WeakPolarHBondContact O-CB 3.37Å; A158-S181 PolarHBondContact O-OG 3.17Å; S181-V194 CarbonylContact O-C 3.57Å; S181-V194 WeakPolarHBondContact O-CA 3.23Å; S181-F195 PolarHBondContact N-O 3.39Å; S181-F195 PolarHBondContact O-N 2.81Å
182	A	98.8	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	112.4	168.2	0	0	0	0	0	109.2	T169 L193 V194 F221 F233	T169-A182 HydrophobicContact CG2-CB 4.02Å; T169-A182 PolarHBondContact N-O 2.8Å; T169-A182 PolarHBondContact O-N 2.91Å; A182-L193 WeakPolarHBondContact CA-O 3.44Å; A182-V194 HydrophobicContact CB-CG2 3.99Å; A182-F221 VanDerWaalsContact C-CD2 3.45Å; A182-F221 HydrophobicContact CB-CB 4.17Å; A182-F221 HydrophobicContact CB-CD1 3.45Å; A182-F221 VanDerWaalsContact CB-CD1 3.45Å; A182-F221 HydrophobicContact CB-CD2 3.95Å; A182-F221 HydrophobicContact CB-CE1 3.7Å; A182-F221 HydrophobicContact CB-CE2 4.14Å; A182-F221 HydrophobicContact CB-CG 3.59Å; A182-F221 HydrophobicContact CB-CZ 4.03Å; A182-F221 WeakPolarHBondContact O-CD2 3.38Å; A182-F233 HydrophobicContact CB-CD1 3.48Å; A182-F233 VanDerWaalsContact CB-CD1 3.48Å; A182-F233 HydrophobicContact CB-CE1 3.85Å; A182-F233 HydrophobicContact CB-CG 4.27Å
183	T	98.2	Very high	95.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	-164.4	-171.8	-164.7	0	0	0	0	110.6	A158 P192 L193	A158-T183 WeakPolarHBondContact O-CG2 3.39Å; T183-P192 WeakPolarHBondContact O-CA 3.48Å; T183-L193 HydrophobicContact CG2-CD2 4.35Å; T183-L193 PolarHBondContact N-O 2.91Å; T183-L193 VanDerWaalsContact N-O 3.17Å; T183-L193 WeakPolarHBondContact O-CD2 3.48Å; T183-L193 PolarHBondContact O-N 3.14Å
184	V	96.9	Very high	95.6	Very high	16 Å²	16	31.3 Å²	31.3	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142	171.4	-64.5	0	0	0	0	110.5	P161 Q166 A189 L191 P192	P161-V184 HydrophobicContact CB-CG2 4.38Å; Q166-V184 HydrophobicContact CG-CG2 4.46Å; V184-A189 HydrophobicContact CG1-CB 4.37Å; V184-A189 HydrophobicContact CG2-CB 4.26Å; V184-L191 WeakPolarHBondContact CA-O 3.3Å; V184-P192 HydrophobicContact CG1-CB 4.31Å
185	A	95.2	Very high	95.9	Very high	14 Å²	14	29 Å²	29	12%	0.116	17%	0.169	C	C	.	.			trans	-102.3	2	-172.7	0	0	0	0	0	114.4	I157 A158 L191 L193	I157-A185 HydrophobicContact CG2-CB 4.42Å; A158-A185 HydrophobicContact CB-CB 4.06Å; A185-L191 HydrophobicContact CB-CB 4.49Å; A185-L191 PolarHBondContact N-O 2.87Å; A185-L193 HydrophobicContact CB-CD1 4.14Å; A185-L193 HydrophobicContact CB-CD2 3.8Å
186	D	94.3	Very high	96.1	Very high	19 Å²	19	23 Å²	23	10%	0.102	14%	0.14	C	C	.	.	S	Bend	trans	-130	158.6	-175.8	68.8	-47.9	0	0	0	112.8	F162 S188 A189 T190 L191	F162-D186 VanDerWaalsContact CD2-C 3.47Å; F162-D186 WeakPolarHBondContact CD2-O 3.38Å; D186-S188 PolarHBondContact O-N 3.26Å; D186-S188 PolarHBondContact OD2-N 2.86Å; D186-S188 PolarHBondContact OD2-OG 3.29Å; D186-A189 PolarHBondContact O-N 3.09Å; D186-A189 WeakPolarHBondContact OD1-CA 3.46Å; D186-A189 PolarHBondContact OD1-N 2.85Å; D186-A189 PolarHBondContact OD2-N 2.77Å; D186-T190 VanDerWaalsContact CG-N 3.26Å; D186-T190 PolarHBondContact OD1-N 3.02Å; D186-T190 PolarHBondContact OD2-N 2.85Å; D186-T190 PolarHBondContact OD2-OG1 3.07Å; D186-L191 HydrophobicContact CB-CB 4.17Å; D186-L191 HydrophobicContact CB-CD1 4.05Å; D186-L191 HydrophobicContact CB-CG 4.11Å; D186-L191 WeakPolarHBondContact OD1-CB 3.34Å; D186-L191 PolarHBondContact OD1-N 3.47Å
187	F	94.3	Very high	96.2	Very high	66 Å²	66	22.3 Å²	22.3	29%	0.289	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.5	178.3	-178.6	-95.9	0	0	0	113.4	K103 K105 F133 F162	K103-F187 HydrophobicContact CB-CE2 4.24Å; K103-F187 HydrophobicContact CB-CZ 3.85Å; K103-F187 HydrophobicContact CD-CD2 4.37Å; K103-F187 HydrophobicContact CD-CE2 3.94Å; K103-F187 HydrophobicContact CD-CZ 4.32Å; K105-F187 HydrophobicContact CD-CZ 4.2Å; K105-F187 HydrophobicContact CG-CE2 4.3Å; K105-F187 HydrophobicContact CG-CZ 3.95Å; F133-F187 HydrophobicContact CB-CD2 3.83Å; F133-F187 HydrophobicContact CB-CE2 3.55Å; F133-F187 AromaticContact CD1-CD2 3.7Å; F133-F187 HydrophobicContact CD1-CD2 3.7Å; F133-F187 AromaticContact CD1-CE2 3.41Å; F133-F187 HydrophobicContact CD1-CE2 3.41Å; F133-F187 VanDerWaalsContact CD1-CE2 3.41Å; F133-F187 HydrophobicContact CD1-CZ 4.19Å; F133-F187 HydrophobicContact CE1-CE2 4.36Å; F133-F187 HydrophobicContact CG-CD2 4.18Å; F133-F187 AromaticContact CG-CE2 3.7Å; F133-F187 HydrophobicContact CG-CE2 3.7Å; F162-F187 HydrophobicContact CD1-CB 4.04Å; F162-F187 HydrophobicContact CD1-CD2 4.01Å; F162-F187 HydrophobicContact CE1-CB 4.23Å
188	S	92.7	Very high	96.2	Very high	80 Å²	80	22.7 Å²	22.7	56%	0.559	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	0.7	-178.4	41.7	0	0	0	0	115	D186 T190	D186-S188 PolarHBondContact O-N 3.26Å; D186-S188 PolarHBondContact OD2-N 2.86Å; D186-S188 PolarHBondContact OD2-OG 3.29Å; S188-T190 PolarHBondContact O-N 2.8Å; S188-T190 PolarHBondContact OG-OG1 2.85Å
189	A	92.5	Very high	96.1	Very high	33 Å²	33	23.2 Å²	23.2	27%	0.273	14%	0.139	S	C	.	.	S	Bend	trans	63.9	18.9	-176.7	0	0	0	0	0	115.5	V184 D186	V184-A189 HydrophobicContact CG1-CB 4.37Å; V184-A189 HydrophobicContact CG2-CB 4.26Å; D186-A189 PolarHBondContact O-N 3.09Å; D186-A189 WeakPolarHBondContact OD1-CA 3.46Å; D186-A189 PolarHBondContact OD1-N 2.85Å; D186-A189 PolarHBondContact OD2-N 2.77Å
190	T	93.8	Very high	95.6	Very high	92 Å²	92	26 Å²	26	56%	0.564	16%	0.159	S	C	*	.			trans	-92.9	-8.5	-174.5	65.1	0	0	0	0	113.7	D186 S188 P192	D186-T190 VanDerWaalsContact CG-N 3.26Å; D186-T190 PolarHBondContact OD1-N 3.02Å; D186-T190 PolarHBondContact OD2-N 2.85Å; D186-T190 PolarHBondContact OD2-OG1 3.07Å; S188-T190 PolarHBondContact O-N 2.8Å; S188-T190 PolarHBondContact OG-OG1 2.85Å; T190-P192 WeakPolarHBondContact O-CD 3.45Å
191	L	95.4	Very high	94.6	Very high	37 Å²	37	29.1 Å²	29.1	19%	0.194	19%	0.19	C	C	.	.			trans	-115.5	72	-178.6	-62.4	-174.8	0	0	0	111.5	V184 A185 D186 N211	V184-L191 WeakPolarHBondContact CA-O 3.3Å; A185-L191 HydrophobicContact CB-CB 4.49Å; A185-L191 PolarHBondContact N-O 2.87Å; D186-L191 HydrophobicContact CB-CB 4.17Å; D186-L191 HydrophobicContact CB-CD1 4.05Å; D186-L191 HydrophobicContact CB-CG 4.11Å; D186-L191 WeakPolarHBondContact OD1-CB 3.34Å; D186-L191 PolarHBondContact OD1-N 3.47Å; L191-N211 WeakPolarHBondContact CD2-OD1 3.42Å
192	P	97.2	Very high	93.7	Very high	27 Å²	27	35.4 Å²	35.4	18%	0.175	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	145.9	172.1	31.4	-36.4	0	0	0	111.1	T183 V184 T190 L216 P219 F221	T183-P192 WeakPolarHBondContact O-CA 3.48Å; V184-P192 HydrophobicContact CG1-CB 4.31Å; T190-P192 WeakPolarHBondContact O-CD 3.45Å; P192-L216 HydrophobicContact CG-CB 4.33Å; P192-P219 HydrophobicContact CB-CG 3.34Å; P192-P219 VanDerWaalsContact CG-CD 3.49Å; P192-P219 HydrophobicContact CG-CG 3.96Å; P192-F221 HydrophobicContact CB-CE2 4.5Å
193	L	97.8	Very high	92.9	Very high	1 Å²	1	37 Å²	37	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	155.9	176.4	79.4	-179.2	0	0	0	113.6	A158 A182 T183 A185 F195 R207 T208	A158-L193 HydrophobicContact CB-CD1 3.74Å; A158-L193 HydrophobicContact CB-CD2 3.99Å; A158-L193 HydrophobicContact CB-CG 4.32Å; A182-L193 WeakPolarHBondContact CA-O 3.44Å; T183-L193 HydrophobicContact CG2-CD2 4.35Å; T183-L193 PolarHBondContact N-O 2.91Å; T183-L193 VanDerWaalsContact N-O 3.17Å; T183-L193 WeakPolarHBondContact O-CD2 3.48Å; T183-L193 PolarHBondContact O-N 3.14Å; A185-L193 HydrophobicContact CB-CD1 4.14Å; A185-L193 HydrophobicContact CB-CD2 3.8Å; L193-F195 HydrophobicContact CD1-CB 4.03Å; L193-F195 HydrophobicContact CD1-CD2 4.45Å; L193-F195 HydrophobicContact CD1-CG 4.41Å; L193-F195 HydrophobicContact CG-CB 4Å; L193-R207 HydrophobicContact CD1-CB 4.33Å; L193-T208 VanDerWaalsContact CA-OG1 3.3Å; L193-T208 WeakPolarHBondContact CA-OG1 3.49Å; L193-T208 WeakPolarHBondContact CB-OG1 3.38Å
194	V	98.5	Very high	92.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.8	157.5	173.6	0	0	0	0	107.8	S181 A182 R207 T208 F221 F233 V256 W271 F274	S181-V194 CarbonylContact O-C 3.57Å; S181-V194 WeakPolarHBondContact O-CA 3.23Å; A182-V194 HydrophobicContact CB-CG2 3.99Å; V194-R207 CarbonylContact O-C 3.55Å; V194-R207 WeakPolarHBondContact O-CA 3.21Å; V194-T208 HydrophobicContact CB-CG2 3.91Å; V194-T208 PolarHBondContact N-OG1 2.82Å; V194-T208 VanDerWaalsContact N-OG1 3.17Å; V194-T208 PolarHBondContact O-N 2.81Å; V194-F221 HydrophobicContact CG2-CE1 4.27Å; V194-F233 HydrophobicContact CG1-CD2 3.89Å; V194-F233 HydrophobicContact CG1-CE1 4.24Å; V194-F233 HydrophobicContact CG1-CE2 3.35Å; V194-F233 HydrophobicContact CG1-CZ 3.54Å; V194-F233 HydrophobicContact CG2-CD2 4.31Å; V194-F233 HydrophobicContact CG2-CG 4.35Å; V194-V256 HydrophobicContact CG1-CG1 4.3Å; V194-W271 PolarHBondContact O-NE1 3.04Å; V194-F274 HydrophobicContact CB-CD2 4.39Å; V194-F274 HydrophobicContact CB-CE2 4.13Å; V194-F274 HydrophobicContact CG2-CE2 3.85Å
195	F	98.2	Very high	92.1	Very high	22 Å²	22	40 Å²	40	10%	0.096	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.7	-168.3	-177.2	-122	0	0	0	112.1	A158 Y180 S181 L193 K197 A205 L206 R207	A158-F195 HydrophobicContact CB-CB 4.29Å; A158-F195 HydrophobicContact CB-CD1 3.67Å; A158-F195 HydrophobicContact CB-CE1 4.07Å; A158-F195 HydrophobicContact CB-CG 3.94Å; Y180-F195 CarbonylContact C-O 3.46Å; Y180-F195 WeakPolarHBondContact CA-O 3.36Å; S181-F195 PolarHBondContact N-O 3.39Å; S181-F195 PolarHBondContact O-N 2.81Å; L193-F195 HydrophobicContact CD1-CB 4.03Å; L193-F195 HydrophobicContact CD1-CD2 4.45Å; L193-F195 HydrophobicContact CD1-CG 4.41Å; L193-F195 HydrophobicContact CG-CB 4Å; F195-K197 HydrophobicContact CD1-CB 4.14Å; F195-K197 HydrophobicContact CE1-CB 3.57Å; F195-K197 HydrophobicContact CE1-CD 4.42Å; F195-K197 HydrophobicContact CE1-CG 3.97Å; F195-K197 HydrophobicContact CZ-CB 4.33Å; F195-A205 HydrophobicContact CE2-CB 3.79Å; F195-A205 HydrophobicContact CZ-CB 3.88Å; F195-L206 CarbonylContact C-O 3.52Å; F195-L206 WeakPolarHBondContact CA-O 3.41Å; F195-L206 WeakPolarHBondContact CD2-O 3.42Å; F195-R207 HydrophobicContact CD2-CB 3.93Å
196	R	97	Very high	92.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.8	164.1	175.8	178.6	76.1	-166.7	-1.2	110.1	E178 L179 Y180 T204 A205 L206 D260 W271	E178-R196 HydrophobicContact CB-CG 4.29Å; E178-R196 IonicContact OE1-NE 2.85Å; L179-R196 CarbonylContact O-C 3.43Å; L179-R196 VanDerWaalsContact O-CA 3.24Å; L179-R196 WeakPolarHBondContact O-CA 3.44Å; Y180-R196 HydrophobicContact CD1-CB 4.43Å; Y180-R196 HydrophobicContact CD2-CG 4.46Å; Y180-R196 HydrophobicContact CE1-CB 4.3Å; Y180-R196 HydrophobicContact CE1-CG 4.42Å; Y180-R196 HydrophobicContact CE2-CG 4.06Å; Y180-R196 WeakPolarHBondContact OH-CD 3.49Å; Y180-R196 PolarHBondContact OH-NH1 2.9Å; R196-T204 PolarHBondContact NE-O 2.7Å; R196-T204 PolarHBondContact NH2-O 2.96Å; R196-A205 VanDerWaalsContact O-CA 3.24Å; R196-A205 WeakPolarHBondContact O-CA 3.2Å; R196-A205 WeakPolarHBondContact O-CB 3.45Å; R196-L206 PolarHBondContact N-O 2.92Å; R196-L206 PolarHBondContact O-N 2.93Å; R196-D260 PolarHBondContact NH1-O 3.31Å; R196-D260 PolarHBondContact NH2-O 3.5Å; R196-W271 HydrophobicContact CB-CH2 3.4Å; R196-W271 VanDerWaalsContact CB-CH2 3.4Å; R196-W271 HydrophobicContact CB-CZ2 3.59Å; R196-W271 HydrophobicContact CG-CH2 4.36Å
197	K	95.5	Very high	92.1	Very high	29 Å²	29	40.3 Å²	40.3	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.4	171.3	-161.8	178.6	-174.5	95	0	110	I154 D155 V159 L179 F195	I154-K197 HydrophobicContact CG2-CD 4.21Å; I154-K197 VanDerWaalsContact CG2-CE 3.45Å; D155-K197 WeakPolarHBondContact O-CE 3.21Å; D155-K197 PolarHBondContact O-NZ 3.38Å; D155-K197 IonicContact OD2-NZ 2.83Å; V159-K197 HydrophobicContact CG2-CB 4.27Å; V159-K197 HydrophobicContact CG2-CD 3.55Å; L179-K197 HydrophobicContact CB-CB 4.25Å; L179-K197 PolarHBondContact N-O 2.82Å; L179-K197 PolarHBondContact O-N 2.85Å; F195-K197 HydrophobicContact CD1-CB 4.14Å; F195-K197 HydrophobicContact CE1-CB 3.57Å; F195-K197 HydrophobicContact CE1-CD 4.42Å; F195-K197 HydrophobicContact CE1-CG 3.97Å; F195-K197 HydrophobicContact CZ-CB 4.33Å
198	P	94.3	Very high	92.2	Very high	36 Å²	36	37.2 Å²	37.2	23%	0.234	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.1	168.5	30	-34.5	0	0	0	109.8	T203	P198-T203 WeakPolarHBondContact CB-O 3.12Å; P198-T203 WeakPolarHBondContact CG-O 3.27Å
199	L	93.6	Very high	92.2	Very high	15 Å²	15	35.1 Å²	35.1	8%	0.079	23%	0.23	C	C	.	.	S	Bend	trans	-98.6	-27.8	176.5	-62	170.3	0	0	0	112.6	I126 K152 I154 Y172 D177 L179	I126-L199 HydrophobicContact CD1-CD1 3.28Å; I126-L199 HydrophobicContact CD1-CD2 3.99Å; I126-L199 HydrophobicContact CD1-CG 4.23Å; K152-L199 PolarHBondContact NZ-O 3.06Å; I154-L199 HydrophobicContact CD1-CD2 4.05Å; I154-L199 HydrophobicContact CG2-CD2 4.38Å; Y172-L199 HydrophobicContact CD2-CD1 3.94Å; Y172-L199 HydrophobicContact CE2-CD1 3.66Å; D177-L199 VanDerWaalsContact O-CB 3.22Å; D177-L199 WeakPolarHBondContact O-CB 3.34Å; D177-L199 PolarHBondContact O-N 2.75Å; L179-L199 HydrophobicContact CD1-CD1 4.04Å; L179-L199 HydrophobicContact CD1-CD2 3.84Å; L179-L199 HydrophobicContact CD1-CG 4.23Å; L179-L199 HydrophobicContact CD2-CD1 4.35Å; L179-L199 HydrophobicContact CG-CD1 3.75Å; L179-L199 HydrophobicContact CG-CD2 4.29Å; L179-L199 HydrophobicContact CG-CG 4.12Å
200	S	86.2	Confident	92	Very high	60 Å²	60	40.9 Å²	40.9	42%	0.42	25%	0.245	S	C	.	.	S	Bend	trans	-149.8	165.4	173.1	-53.4	0	0	0	0	109.4	D177	D177-S200 WeakPolarHBondContact OD2-CB 3.45Å; D177-S200 PolarHBondContact OD2-OG 2.86Å
201	G	78.3	Confident	91.7	Very high	64 Å²	64	43 Å²	43	66%	0.66	25%	0.252	S	S	*	.	S	Bend	trans	90	178.7	174.9	0	0	0	0	0	114.6
202	P	78.7	Confident	91.5	Very high	133 Å²	133	43.7 Å²	43.7	86%	0.864	26%	0.256	S	S	*	.	S	Bend	trans	-88.1	1.1	-173.9	36.2	-36.5	0	0	0	113.9
203	T	83	Confident	91.3	Very high	33 Å²	33	47.5 Å²	47.5	20%	0.202	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-70.2	143.4	-176	53.9	0	0	0	0	110.8	E178 P198	E178-T203 WeakPolarHBondContact OE1-CB 3.4Å; E178-T203 WeakPolarHBondContact OE1-CG2 3.4Å; E178-T203 PolarHBondContact OE1-OG1 3.25Å; P198-T203 WeakPolarHBondContact CB-O 3.12Å; P198-T203 WeakPolarHBondContact CG-O 3.27Å
204	T	84.5	Confident	91	Very high	49 Å²	49	52.8 Å²	52.8	30%	0.301	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-88.3	150.3	178.5	55.1	0	0	0	0	110.6	R196	R196-T204 PolarHBondContact NE-O 2.7Å; R196-T204 PolarHBondContact NH2-O 2.96Å
205	A	92.6	Very high	90.8	Very high	29 Å²	29	52.9 Å²	52.9	24%	0.24	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-63.2	138.9	169.8	0	0	0	0	0	109.4	F195 R196 D269	F195-A205 HydrophobicContact CE2-CB 3.79Å; F195-A205 HydrophobicContact CZ-CB 3.88Å; R196-A205 VanDerWaalsContact O-CA 3.24Å; R196-A205 WeakPolarHBondContact O-CA 3.2Å; R196-A205 WeakPolarHBondContact O-CB 3.45Å; A205-D269 WeakPolarHBondContact O-CB 3.24Å
206	L	95.4	Very high	90.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.6	175.9	-67.8	-179.5	0	0	0	110	F195 R196 D260 D269 W271	F195-L206 CarbonylContact C-O 3.52Å; F195-L206 WeakPolarHBondContact CA-O 3.41Å; F195-L206 WeakPolarHBondContact CD2-O 3.42Å; R196-L206 PolarHBondContact N-O 2.92Å; R196-L206 PolarHBondContact O-N 2.93Å; L206-D260 HydrophobicContact CD1-CB 4.17Å; L206-D260 WeakPolarHBondContact CD1-O 3.39Å; L206-D269 CarbonylContact C-O 3.49Å; L206-D269 WeakPolarHBondContact CA-O 3.34Å; L206-W271 HydrophobicContact CB-CD2 3.69Å; L206-W271 HydrophobicContact CB-CE3 3.67Å; L206-W271 HydrophobicContact CB-CG 4.45Å; L206-W271 HydrophobicContact CB-CH2 3.79Å; L206-W271 HydrophobicContact CB-CZ2 3.79Å; L206-W271 HydrophobicContact CB-CZ3 3.74Å; L206-W271 HydrophobicContact CD1-CD2 4.27Å; L206-W271 HydrophobicContact CD1-CE3 3.46Å; L206-W271 VanDerWaalsContact CD1-CE3 3.46Å; L206-W271 HydrophobicContact CD1-CH2 4.27Å; L206-W271 HydrophobicContact CD1-CZ3 3.47Å; L206-W271 VanDerWaalsContact CD1-CZ3 3.47Å; L206-W271 HydrophobicContact CG-CE3 4.22Å; L206-W271 HydrophobicContact CG-CZ3 4.23Å
207	R	95.2	Very high	90.7	Very high	39 Å²	39	53.4 Å²	53.4	15%	0.147	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	159.1	-179.1	62.3	-174.4	-61.9	143.4	1.4	112.5	L193 V194 F195 R210 D269 T270 W271	L193-R207 HydrophobicContact CD1-CB 4.33Å; V194-R207 CarbonylContact O-C 3.55Å; V194-R207 WeakPolarHBondContact O-CA 3.21Å; F195-R207 HydrophobicContact CD2-CB 3.93Å; R207-R210 VanDerWaalsContact CZ-CZ 3.43Å; R207-R210 VanDerWaalsContact NH1-CZ 3.31Å; R207-D269 WeakPolarHBondContact CG-O 3.47Å; R207-D269 PolarHBondContact N-O 2.89Å; R207-T270 WeakPolarHBondContact O-CA 3.4Å; R207-W271 VanDerWaalsContact O-CD1 3.31Å; R207-W271 PolarHBondContact O-N 2.94Å
208	T	95.8	Very high	90.6	Very high	1 Å²	1	57 Å²	57	1%	0.006	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66	153.2	162.5	47.4	0	0	0	0	110.7	L193 V194 L216 W271 F274	L193-T208 VanDerWaalsContact CA-OG1 3.3Å; L193-T208 WeakPolarHBondContact CA-OG1 3.49Å; L193-T208 WeakPolarHBondContact CB-OG1 3.38Å; V194-T208 HydrophobicContact CB-CG2 3.91Å; V194-T208 PolarHBondContact N-OG1 2.82Å; V194-T208 VanDerWaalsContact N-OG1 3.17Å; V194-T208 PolarHBondContact O-N 2.81Å; T208-L216 HydrophobicContact CG2-CD1 4.16Å; T208-W271 VanDerWaalsContact N-CD1 3.33Å; T208-F274 HydrophobicContact CG2-CD1 4.23Å; T208-F274 HydrophobicContact CG2-CD2 3.69Å; T208-F274 HydrophobicContact CG2-CE1 4.32Å; T208-F274 HydrophobicContact CG2-CE2 3.79Å; T208-F274 HydrophobicContact CG2-CG 3.92Å; T208-F274 HydrophobicContact CG2-CZ 4.11Å
209	P	91.6	Very high	90.8	Very high	37 Å²	37	55.7 Å²	55.7	24%	0.24	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-52.5	143.5	174.9	-26.2	34.5	0	0	0	112.5	D212	P209-D212 HydrophobicContact CB-CB 3.95Å
210	R	89.6	Confident	91	Very high	153 Å²	153	57.7 Å²	57.7	58%	0.577	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	142.4	176	-66.1	-179.5	-176	-112.6	12	109.9	R207 D212	R207-R210 VanDerWaalsContact CZ-CZ 3.43Å; R207-R210 VanDerWaalsContact NH1-CZ 3.31Å; R210-D212 PolarHBondContact O-N 3.33Å; R210-D212 VanDerWaalsContact O-N 3.11Å
211	N	87.4	Confident	91.6	Very high	136 Å²	136	55 Å²	55	73%	0.727	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	25.1	174.2	-55.2	-21.5	0	0	0	114.3	L191	L191-N211 WeakPolarHBondContact CD2-OD1 3.42Å
212	D	92.1	Very high	92.6	Very high	52 Å²	52	53.4 Å²	53.4	28%	0.278	28%	0.281	S	S	.	.			trans	-102.1	95.2	175.2	-172.4	-11.3	0	0	0	110.1	P209 R210 K214 C215 L216	P209-D212 HydrophobicContact CB-CB 3.95Å; R210-D212 PolarHBondContact O-N 3.33Å; R210-D212 VanDerWaalsContact O-N 3.11Å; D212-K214 PolarHBondContact O-N 3.41Å; D212-K214 WeakPolarHBondContact OD1-CA 3.25Å; D212-K214 VanDerWaalsContact OD1-CB 3.31Å; D212-K214 WeakPolarHBondContact OD1-CB 3.36Å; D212-K214 PolarHBondContact OD1-N 3.47Å; D212-C215 HydrophobicContact CB-CB 3.98Å; D212-C215 WeakPolarHBondContact O-CA 3.32Å; D212-C215 WeakPolarHBondContact O-CB 3.46Å; D212-C215 PolarHBondContact O-N 2.9Å; D212-C215 PolarHBondContact OD1-N 3.34Å; D212-L216 PolarHBondContact O-N 3.21Å
213	L	91.4	Very high	93.5	Very high	107 Å²	107	47.6 Å²	47.6	56%	0.56	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.8	178.4	-57.7	179.5	0	0	0	113	N217	L213-N217 HydrophobicContact CB-CB 4.46Å; L213-N217 WeakPolarHBondContact O-CB 3.49Å
214	K	91.4	Very high	94.3	Very high	113 Å²	113	46.9 Å²	46.9	49%	0.491	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-34.8	170.8	-62.2	-177.4	177	-176.8	0	110.4	D212 K276 W356	D212-K214 PolarHBondContact O-N 3.41Å; D212-K214 WeakPolarHBondContact OD1-CA 3.25Å; D212-K214 VanDerWaalsContact OD1-CB 3.31Å; D212-K214 WeakPolarHBondContact OD1-CB 3.36Å; D212-K214 PolarHBondContact OD1-N 3.47Å; K214-K276 PolarHBondContact O-NZ 2.76Å; K214-W356 HydrophobicContact CD-CH2 4.42Å
215	C	94.5	Very high	94.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-53.2	176.7	-173.2	0	0	0	0	112.3	D212 F274 K276 N391	D212-C215 HydrophobicContact CB-CB 3.98Å; D212-C215 WeakPolarHBondContact O-CA 3.32Å; D212-C215 WeakPolarHBondContact O-CB 3.46Å; D212-C215 PolarHBondContact O-N 2.9Å; D212-C215 PolarHBondContact OD1-N 3.34Å; C215-F274 VanDerWaalsContact SG-CE1 3.57Å; C215-K276 WeakPolarHBondContact O-CE 3.45Å; C215-K276 PolarHBondContact O-NZ 3.1Å; C215-N391 PolarHBondContact SG-ND2 2.87Å
216	L	96.9	Very high	95.1	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.047	24%	0.236	C	C	.	.			trans	-146.8	130.2	178.1	-70.9	174	0	0	0	110.1	P192 T208 D212 P219 F221 F235 F274	P192-L216 HydrophobicContact CG-CB 4.33Å; T208-L216 HydrophobicContact CG2-CD1 4.16Å; D212-L216 PolarHBondContact O-N 3.21Å; L216-P219 HydrophobicContact CB-CG 4.35Å; L216-P219 HydrophobicContact CD2-CB 4.48Å; L216-P219 HydrophobicContact CD2-CG 4.35Å; L216-F221 HydrophobicContact CD1-CZ 4.33Å; L216-F221 HydrophobicContact CD2-CZ 4.46Å; L216-F235 HydrophobicContact CD2-CE2 3.84Å; L216-F235 HydrophobicContact CD2-CZ 3.86Å; L216-F274 HydrophobicContact CD2-CZ 4.14Å
217	N	95.8	Very high	95.1	Very high	25 Å²	25	47.6 Å²	47.6	13%	0.134	24%	0.242	C	C	.	.	S	Bend	trans	-133.5	97.8	-176.7	-173.1	11.9	0	0	0	112.2	L213 E237 T238	L213-N217 HydrophobicContact CB-CB 4.46Å; L213-N217 WeakPolarHBondContact O-CB 3.49Å; N217-E237 PolarHBondContact N-OE2 3.04Å; N217-E237 WeakPolarHBondContact O-CB 3.44Å; N217-T238 WeakPolarHBondContact CB-O 3.42Å; N217-T238 WeakPolarHBondContact ND2-CB 3.26Å; N217-T238 WeakPolarHBondContact ND2-CG2 3.3Å; N217-T238 PolarHBondContact ND2-O 2.79Å; N217-T238 PolarHBondContact O-N 2.75Å
218	D	95.3	Very high	95	Very high	105 Å²	105	51.3 Å²	51.3	56%	0.561	26%	0.261	S	S	*	.	S	Bend	trans	47.4	55.7	-175.3	-167.9	30.3	0	0	0	113.9
219	P	97.9	Very high	95	Very high	7 Å²	7	56.8 Å²	56.8	5%	0.045	29%	0.29	C	S	.	.			trans	-77	149.2	-176.3	33.9	-35.9	0	0	0	113	P192 L216 F221 F235 R236 E237	P192-P219 HydrophobicContact CB-CG 3.34Å; P192-P219 VanDerWaalsContact CG-CD 3.49Å; P192-P219 HydrophobicContact CG-CG 3.96Å; L216-P219 HydrophobicContact CB-CG 4.35Å; L216-P219 HydrophobicContact CD2-CB 4.48Å; L216-P219 HydrophobicContact CD2-CG 4.35Å; P219-F221 HydrophobicContact CB-CE1 4.04Å; P219-F221 HydrophobicContact CB-CE2 4.15Å; P219-F221 HydrophobicContact CB-CZ 3.78Å; P219-F221 HydrophobicContact CG-CE1 4.22Å; P219-F221 HydrophobicContact CG-CE2 3.68Å; P219-F221 HydrophobicContact CG-CZ 3.46Å; P219-F221 VanDerWaalsContact CG-CZ 3.46Å; P219-F235 HydrophobicContact CB-CD2 3.55Å; P219-F235 HydrophobicContact CB-CE2 4Å; P219-F235 HydrophobicContact CB-CG 4.44Å; P219-R236 CarbonylContact C-O 3.46Å; P219-R236 WeakPolarHBondContact CA-O 3.44Å; P219-E237 HydrophobicContact CB-CB 4.13Å
220	Q	98	Very high	95.3	Very high	57 Å²	57	55.3 Å²	55.3	27%	0.266	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	103.8	170.2	-64.6	-64.6	-41	0	0	109.4	N167 F235 R236	N167-Q220 PolarHBondContact ND2-OE1 3.29Å; Q220-F235 WeakPolarHBondContact O-CA 3.34Å; Q220-F235 WeakPolarHBondContact O-CB 3.33Å; Q220-R236 HydrophobicContact CB-CG 3.82Å; Q220-R236 HydrophobicContact CG-CG 4.39Å; Q220-R236 PolarHBondContact N-O 2.89Å; Q220-R236 PolarHBondContact O-N 2.94Å; Q220-R236 VanDerWaalsContact O-N 3.15Å
221	F	98.7	Very high	95.7	Very high	4 Å²	4	48 Å²	48	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.3	-174.3	-55.8	-75.9	0	0	0	112.6	N167 T169 A182 P192 V194 L216 P219 F235	N167-F221 WeakPolarHBondContact CB-O 3.4Å; T169-F221 HydrophobicContact CG2-CB 3.88Å; A182-F221 VanDerWaalsContact C-CD2 3.45Å; A182-F221 HydrophobicContact CB-CB 4.17Å; A182-F221 HydrophobicContact CB-CD1 3.45Å; A182-F221 VanDerWaalsContact CB-CD1 3.45Å; A182-F221 HydrophobicContact CB-CD2 3.95Å; A182-F221 HydrophobicContact CB-CE1 3.7Å; A182-F221 HydrophobicContact CB-CE2 4.14Å; A182-F221 HydrophobicContact CB-CG 3.59Å; A182-F221 HydrophobicContact CB-CZ 4.03Å; A182-F221 WeakPolarHBondContact O-CD2 3.38Å; P192-F221 HydrophobicContact CB-CE2 4.5Å; V194-F221 HydrophobicContact CG2-CE1 4.27Å; L216-F221 HydrophobicContact CD1-CZ 4.33Å; L216-F221 HydrophobicContact CD2-CZ 4.46Å; P219-F221 HydrophobicContact CB-CE1 4.04Å; P219-F221 HydrophobicContact CB-CE2 4.15Å; P219-F221 HydrophobicContact CB-CZ 3.78Å; P219-F221 HydrophobicContact CG-CE1 4.22Å; P219-F221 HydrophobicContact CG-CE2 3.68Å; P219-F221 HydrophobicContact CG-CZ 3.46Å; P219-F221 VanDerWaalsContact CG-CZ 3.46Å; F221-F235 HydrophobicContact CB-CB 4.45Å; F221-F235 HydrophobicContact CD1-CB 3.58Å; F221-F235 HydrophobicContact CD1-CD1 4.11Å; F221-F235 HydrophobicContact CD1-CD2 4.5Å; F221-F235 AromaticContact CD1-CG 3.86Å; F221-F235 HydrophobicContact CD1-CG 3.86Å; F221-F235 HydrophobicContact CE1-CB 4.18Å; F221-F235 HydrophobicContact CE1-CD1 4.16Å; F221-F235 HydrophobicContact CE1-CD2 4.26Å; F221-F235 AromaticContact CE1-CG 3.97Å; F221-F235 HydrophobicContact CE1-CG 3.97Å; F221-F235 HydrophobicContact CG-CB 4.26Å
222	V	98.3	Very high	96.3	Very high	31 Å²	31	41.7 Å²	41.7	19%	0.188	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-26.9	-171.8	-58.3	0	0	0	0	113.9	W234 I294 Q295	V222-W234 HydrophobicContact CG2-CB 4.04Å; V222-W234 WeakPolarHBondContact CG2-O 3.38Å; V222-W234 PolarHBondContact N-O 2.94Å; V222-I294 HydrophobicContact CG1-CG2 4.43Å; V222-I294 HydrophobicContact CG2-CD1 3.83Å; V222-I294 HydrophobicContact CG2-CG1 4Å; V222-I294 HydrophobicContact CG2-CG2 3.99Å; V222-Q295 VanDerWaalsContact CG1-O 3.3Å; V222-Q295 WeakPolarHBondContact CG1-O 3.12Å
223	A	98.6	Very high	96.6	Very high	11 Å²	11	39.2 Å²	39.2	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	157.2	178.7	0	0	0	0	0	112.9	T169 W234 A297	T169-A223 VanDerWaalsContact OG1-C 3.23Å; T169-A223 WeakPolarHBondContact OG1-CA 3.39Å; A223-W234 HydrophobicContact CB-CB 4.25Å; A223-W234 PolarHBondContact N-O 3.13Å; A223-W234 PolarHBondContact O-N 3.04Å; A223-A297 HydrophobicContact CB-CB 3.86Å
224	S	98.6	Very high	97	Very high	17 Å²	17	34.1 Å²	34.1	12%	0.119	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	143.1	171.4	55.6	0	0	0	0	110.9	T169 A170 V171 Y232	T169-S224 WeakPolarHBondContact OG1-CB 3.48Å; T169-S224 PolarHBondContact OG1-N 3.23Å; T169-S224 PolarHBondContact OG1-OG 2.69Å; A170-S224 PolarHBondContact N-OG 2.62Å; V171-S224 WeakPolarHBondContact CG2-O 3.47Å; V171-S224 WeakPolarHBondContact CG2-OG 3.21Å; S224-Y232 WeakPolarHBondContact CA-O 3.47Å; S224-Y232 WeakPolarHBondContact CB-O 3.38Å
225	F	97.7	Very high	97.3	Very high	27 Å²	27	28.8 Å²	28.8	12%	0.118	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155	175.5	44.2	-98.1	0	0	0	110.1	Y232 W234 V300 V313 M334	F225-Y232 HydrophobicContact CE2-CD2 4.48Å; F225-Y232 HydrophobicContact CE2-CG 4.47Å; F225-Y232 PolarHBondContact N-O 2.84Å; F225-Y232 PolarHBondContact O-N 3.22Å; F225-W234 AromaticContact CE1-CD1 3.76Å; F225-W234 AromaticContact CE1-NE1 3.45Å; F225-W234 AromaticContact CE2-NE1 4Å; F225-W234 AromaticContact CZ-CD1 3.87Å; F225-W234 AromaticContact CZ-CE2 3.82Å; F225-W234 HydrophobicContact CZ-CZ2 4.19Å; F225-W234 AromaticContact CZ-NE1 3.09Å; F225-V300 HydrophobicContact CD2-CG2 3.62Å; F225-V300 HydrophobicContact CE1-CG2 4.38Å; F225-V300 HydrophobicContact CE2-CG2 3.37Å; F225-V300 HydrophobicContact CG-CG2 4.23Å; F225-V300 HydrophobicContact CZ-CG2 3.78Å; F225-V313 HydrophobicContact CE1-CG2 4.24Å; F225-V313 HydrophobicContact CE2-CG2 4.47Å; F225-V313 HydrophobicContact CZ-CG2 3.68Å; F225-M334 HydrophobicContact CE2-CE 3.85Å; F225-M334 HydrophobicContact CE2-SD 4.16Å; F225-M334 HydrophobicContact CZ-CE 4.46Å; F225-M334 HydrophobicContact CZ-SD 4.27Å
226	A	97.3	Very high	97.5	Very high	39 Å²	39	30.5 Å²	30.5	32%	0.322	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.6	177.1	0	0	0	0	0	110.1	V171 L173 V231	V171-A226 HydrophobicContact CG1-CB 4.17Å; L173-A226 HydrophobicContact CD2-CB 3.68Å; A226-V231 HydrophobicContact CB-CG2 4.23Å
227	E	94.2	Very high	97.5	Very high	29 Å²	29	30.2 Å²	30.2	14%	0.136	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	129.3	178.5	-167.4	-165.8	-150.6	0	0	108.9	N229 S230 Y232 M334 R338	E227-N229 PolarHBondContact O-N 3.35Å; E227-S230 PolarHBondContact N-O 3.22Å; E227-S230 PolarHBondContact O-N 3.24Å; E227-Y232 HydrophobicContact CB-CD2 4.16Å; E227-Y232 HydrophobicContact CB-CE2 3.94Å; E227-M334 WeakPolarHBondContact OE2-CE 3.37Å; E227-R338 IonicContact OE1-CZ 2.9Å; E227-R338 IonicContact OE1-NH1 2.71Å; E227-R338 PolarHBondContact OE1-NH1 3.11Å; E227-R338 IonicContact OE2-NH1 3.27Å; E227-R338 PolarHBondContact OE2-NH1 2.75Å
228	Q	93.6	Very high	97.6	Very high	117 Å²	117	30.2 Å²	30.2	55%	0.547	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-123.1	-175.9	-59	172.2	5.8	0	0	111.3	S230 K258	Q228-S230 VanDerWaalsContact C-N 3.34Å; Q228-K258 VanDerWaalsContact O-CE 3.29Å; Q228-K258 WeakPolarHBondContact O-CE 3.42Å; Q228-K258 PolarHBondContact O-NZ 2.84Å
229	N	95.7	Very high	97.6	Very high	115 Å²	115	25.2 Å²	25.2	62%	0.615	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	6.8	-176.7	-65.3	-17.5	0	0	0	113.6	E227 K258	E227-N229 PolarHBondContact O-N 3.35Å; N229-K258 WeakPolarHBondContact O-CB 3.39Å; N229-K258 WeakPolarHBondContact O-CG 3.3Å; N229-K258 PolarHBondContact O-N 2.74Å
230	S	98.1	Very high	97.3	Very high	7 Å²	7	25.4 Å²	25.4	5%	0.049	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	161.6	-172.3	-65.9	0	0	0	0	113.5	E227 Q228 R255 V256 K258	E227-S230 PolarHBondContact N-O 3.22Å; E227-S230 PolarHBondContact O-N 3.24Å; Q228-S230 VanDerWaalsContact C-N 3.34Å; S230-R255 WeakPolarHBondContact OG-CD 3.36Å; S230-V256 CarbonylContact C-O 3.58Å; S230-V256 VanDerWaalsContact CA-O 3.25Å; S230-V256 WeakPolarHBondContact CA-O 3.36Å; S230-V256 WeakPolarHBondContact CB-O 3.32Å; S230-K258 WeakPolarHBondContact O-CE 2.95Å
231	V	98.7	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.4	166.6	-176	0	0	0	0	108.1	L173 Y180 A226 F233 R255 V256 K258	L173-V231 HydrophobicContact CD1-CG2 4.27Å; Y180-V231 HydrophobicContact CD1-CB 4.05Å; Y180-V231 HydrophobicContact CD1-CG1 4.32Å; Y180-V231 HydrophobicContact CD1-CG2 3.8Å; Y180-V231 HydrophobicContact CD2-CG2 4.3Å; Y180-V231 HydrophobicContact CE1-CB 4.48Å; Y180-V231 HydrophobicContact CE1-CG2 3.98Å; Y180-V231 HydrophobicContact CE2-CG2 4.5Å; Y180-V231 HydrophobicContact CG-CB 4.44Å; Y180-V231 HydrophobicContact CG-CG1 4.36Å; Y180-V231 HydrophobicContact CG-CG2 3.96Å; A226-V231 HydrophobicContact CB-CG2 4.23Å; V231-F233 HydrophobicContact CB-CE2 4.28Å; V231-F233 HydrophobicContact CB-CZ 4.5Å; V231-F233 HydrophobicContact CG1-CE1 4.33Å; V231-F233 HydrophobicContact CG1-CE2 3.83Å; V231-F233 HydrophobicContact CG1-CZ 3.7Å; V231-R255 WeakPolarHBondContact O-CA 3.12Å; V231-V256 HydrophobicContact CB-CG2 4.03Å; V231-V256 PolarHBondContact N-O 3.3Å; V231-V256 PolarHBondContact O-N 3.44Å; V231-K258 HydrophobicContact CG2-CG 4.1Å
232	Y	98.8	Very high	96.6	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.8	-178.1	-65.1	-90.9	0	0	0	111	S224 F225 E227 V253 A254 R255 M334 V337 F341	S224-Y232 WeakPolarHBondContact CA-O 3.47Å; S224-Y232 WeakPolarHBondContact CB-O 3.38Å; F225-Y232 HydrophobicContact CE2-CD2 4.48Å; F225-Y232 HydrophobicContact CE2-CG 4.47Å; F225-Y232 PolarHBondContact N-O 2.84Å; F225-Y232 PolarHBondContact O-N 3.22Å; E227-Y232 HydrophobicContact CB-CD2 4.16Å; E227-Y232 HydrophobicContact CB-CE2 3.94Å; Y232-V253 HydrophobicContact CD1-CG2 3.99Å; Y232-A254 CarbonylContact C-O 3.59Å; Y232-A254 VanDerWaalsContact CA-O 3.22Å; Y232-A254 WeakPolarHBondContact CA-O 3.29Å; Y232-R255 HydrophobicContact CD1-CB 4.1Å; Y232-R255 HydrophobicContact CD1-CG 4.21Å; Y232-R255 HydrophobicContact CE1-CB 3.97Å; Y232-R255 HydrophobicContact CE1-CG 3.76Å; Y232-M334 HydrophobicContact CD1-CE 4.44Å; Y232-M334 HydrophobicContact CD2-CE 4.29Å; Y232-M334 HydrophobicContact CE1-CE 4.42Å; Y232-M334 HydrophobicContact CE2-CE 4.3Å; Y232-M334 HydrophobicContact CG-CE 4.36Å; Y232-V337 HydrophobicContact CD1-CG1 4.14Å; Y232-V337 HydrophobicContact CE1-CG1 3.81Å; Y232-F341 HydrophobicContact CD1-CE2 4.43Å; Y232-F341 HydrophobicContact CE1-CD2 4.25Å; Y232-F341 HydrophobicContact CE1-CE2 4.07Å
233	F	98.9	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.4	178.3	-58.1	-88.3	0	0	0	110.2	T169 A182 V194 V231 V253 A254 V256	T169-F233 HydrophobicContact CG2-CD1 4.32Å; A182-F233 HydrophobicContact CB-CD1 3.48Å; A182-F233 VanDerWaalsContact CB-CD1 3.48Å; A182-F233 HydrophobicContact CB-CE1 3.85Å; A182-F233 HydrophobicContact CB-CG 4.27Å; V194-F233 HydrophobicContact CG1-CD2 3.89Å; V194-F233 HydrophobicContact CG1-CE1 4.24Å; V194-F233 HydrophobicContact CG1-CE2 3.35Å; V194-F233 HydrophobicContact CG1-CZ 3.54Å; V194-F233 HydrophobicContact CG2-CD2 4.31Å; V194-F233 HydrophobicContact CG2-CG 4.35Å; V231-F233 HydrophobicContact CB-CE2 4.28Å; V231-F233 HydrophobicContact CB-CZ 4.5Å; V231-F233 HydrophobicContact CG1-CE1 4.33Å; V231-F233 HydrophobicContact CG1-CE2 3.83Å; V231-F233 HydrophobicContact CG1-CZ 3.7Å; F233-V253 CarbonylContact O-C 3.58Å; F233-V253 WeakPolarHBondContact O-CA 3.49Å; F233-A254 HydrophobicContact CB-CB 4.49Å; F233-A254 PolarHBondContact N-O 3.36Å; F233-A254 PolarHBondContact O-N 3.23Å; F233-V256 HydrophobicContact CE2-CG2 3.91Å
234	W	98.9	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.1	-178.3	-66.4	67.6	0	0	0	109.1	V222 A223 F225 R252 V253 L279 I294 V313 F332 M334	V222-W234 HydrophobicContact CG2-CB 4.04Å; V222-W234 WeakPolarHBondContact CG2-O 3.38Å; V222-W234 PolarHBondContact N-O 2.94Å; A223-W234 HydrophobicContact CB-CB 4.25Å; A223-W234 PolarHBondContact N-O 3.13Å; A223-W234 PolarHBondContact O-N 3.04Å; F225-W234 AromaticContact CE1-CD1 3.76Å; F225-W234 AromaticContact CE1-NE1 3.45Å; F225-W234 AromaticContact CE2-NE1 4Å; F225-W234 AromaticContact CZ-CD1 3.87Å; F225-W234 AromaticContact CZ-CE2 3.82Å; F225-W234 HydrophobicContact CZ-CZ2 4.19Å; F225-W234 AromaticContact CZ-NE1 3.09Å; W234-R252 WeakPolarHBondContact CA-O 3.5Å; W234-V253 HydrophobicContact CD2-CB 4.32Å; W234-V253 HydrophobicContact CD2-CG2 4.34Å; W234-V253 HydrophobicContact CZ2-CB 4.36Å; W234-V253 HydrophobicContact CZ2-CG2 4.09Å; W234-L279 HydrophobicContact CD2-CD1 4.36Å; W234-L279 HydrophobicContact CE3-CD1 3.33Å; W234-L279 HydrophobicContact CE3-CD2 4.13Å; W234-L279 HydrophobicContact CE3-CG 4.37Å; W234-L279 HydrophobicContact CH2-CD1 4.49Å; W234-L279 HydrophobicContact CH2-CD2 3.78Å; W234-L279 HydrophobicContact CZ3-CD1 3.41Å; W234-L279 VanDerWaalsContact CZ3-CD1 3.41Å; W234-L279 HydrophobicContact CZ3-CD2 3.42Å; W234-L279 VanDerWaalsContact CZ3-CD2 3.42Å; W234-L279 HydrophobicContact CZ3-CG 4.06Å; W234-I294 HydrophobicContact CB-CD1 4.35Å; W234-I294 HydrophobicContact CE3-CD1 3.86Å; W234-V313 HydrophobicContact CH2-CB 4.06Å; W234-V313 HydrophobicContact CH2-CG1 3.97Å; W234-V313 HydrophobicContact CZ2-CB 4.07Å; W234-V313 HydrophobicContact CZ2-CG1 3.96Å; W234-V313 HydrophobicContact CZ2-CG2 4.15Å; W234-V313 HydrophobicContact CZ3-CG1 4.23Å; W234-F332 HydrophobicContact CH2-CB 3.8Å; W234-F332 AromaticContact CH2-CD2 3.89Å; W234-F332 HydrophobicContact CH2-CD2 3.89Å; W234-F332 AromaticContact CH2-CG 3.96Å; W234-F332 HydrophobicContact CH2-CG 3.96Å; W234-F332 HydrophobicContact CZ3-CB 4.43Å; W234-F332 AromaticContact CZ3-CD2 3.64Å; W234-F332 HydrophobicContact CZ3-CD2 3.64Å; W234-F332 HydrophobicContact CZ3-CE2 4.17Å; W234-F332 HydrophobicContact CZ3-CG 4.1Å; W234-M334 HydrophobicContact CZ2-SD 4.19Å
235	F	98.9	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	168.8	-173.9	64.1	-78	0	0	0	111.7	L216 P219 Q220 F221 E237 S251 R252 A254 K276 I294	L216-F235 HydrophobicContact CD2-CE2 3.84Å; L216-F235 HydrophobicContact CD2-CZ 3.86Å; P219-F235 HydrophobicContact CB-CD2 3.55Å; P219-F235 HydrophobicContact CB-CE2 4Å; P219-F235 HydrophobicContact CB-CG 4.44Å; Q220-F235 WeakPolarHBondContact O-CA 3.34Å; Q220-F235 WeakPolarHBondContact O-CB 3.33Å; F221-F235 HydrophobicContact CB-CB 4.45Å; F221-F235 HydrophobicContact CD1-CB 3.58Å; F221-F235 HydrophobicContact CD1-CD1 4.11Å; F221-F235 HydrophobicContact CD1-CD2 4.5Å; F221-F235 AromaticContact CD1-CG 3.86Å; F221-F235 HydrophobicContact CD1-CG 3.86Å; F221-F235 HydrophobicContact CE1-CB 4.18Å; F221-F235 HydrophobicContact CE1-CD1 4.16Å; F221-F235 HydrophobicContact CE1-CD2 4.26Å; F221-F235 AromaticContact CE1-CG 3.97Å; F221-F235 HydrophobicContact CE1-CG 3.97Å; F221-F235 HydrophobicContact CG-CB 4.26Å; F235-E237 HydrophobicContact CD2-CB 4.07Å; F235-E237 HydrophobicContact CD2-CG 4.43Å; F235-E237 HydrophobicContact CE2-CB 3.94Å; F235-E237 HydrophobicContact CE2-CG 3.95Å; F235-S251 CarbonylContact O-C 3.46Å; F235-S251 WeakPolarHBondContact O-CA 3.31Å; F235-R252 HydrophobicContact CD1-CB 3.95Å; F235-R252 HydrophobicContact CD2-CB 4.18Å; F235-R252 HydrophobicContact CD2-CG 4.36Å; F235-R252 HydrophobicContact CE1-CB 3.58Å; F235-R252 HydrophobicContact CE1-CG 4.41Å; F235-R252 HydrophobicContact CE2-CB 3.86Å; F235-R252 HydrophobicContact CE2-CG 3.85Å; F235-R252 HydrophobicContact CG-CB 4.23Å; F235-R252 HydrophobicContact CZ-CB 3.54Å; F235-R252 HydrophobicContact CZ-CG 3.87Å; F235-R252 PolarHBondContact N-O 2.87Å; F235-R252 PolarHBondContact O-N 2.87Å; F235-A254 HydrophobicContact CE1-CB 3.69Å; F235-A254 HydrophobicContact CZ-CB 4.39Å; F235-K276 HydrophobicContact CZ-CD 4.17Å; F235-I294 VanDerWaalsContact C-CG2 3.41Å; F235-I294 WeakPolarHBondContact O-CG2 3.41Å
236	R	98.5	Very high	93.2	Very high	38 Å²	38	35.4 Å²	35.4	14%	0.143	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151	162.5	58.5	-178.2	-169	-94	7.3	109.7	P219 Q220 V249 F250 E293 I294 Q295	P219-R236 CarbonylContact C-O 3.46Å; P219-R236 WeakPolarHBondContact CA-O 3.44Å; Q220-R236 HydrophobicContact CB-CG 3.82Å; Q220-R236 HydrophobicContact CG-CG 4.39Å; Q220-R236 PolarHBondContact N-O 2.89Å; Q220-R236 PolarHBondContact O-N 2.94Å; Q220-R236 VanDerWaalsContact O-N 3.15Å; R236-V249 HydrophobicContact CB-CG1 3.81Å; R236-V249 HydrophobicContact CG-CG1 4.23Å; R236-F250 CarbonylContact C-O 3.43Å; R236-F250 WeakPolarHBondContact CA-O 3.17Å; R236-E293 IonicContact NE-OE2 2.83Å; R236-I294 HydrophobicContact CB-CG2 4.06Å; R236-I294 PolarHBondContact NH1-O 3.02Å; R236-Q295 VanDerWaalsContact NH1-NE2 3.19Å
237	E	97.7	Very high	92.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.1	178.7	68.5	175.1	165.5	0	0	110.6	N217 P219 F235 A239 V249 F250 R252 K276	N217-E237 PolarHBondContact N-OE2 3.04Å; N217-E237 WeakPolarHBondContact O-CB 3.44Å; P219-E237 HydrophobicContact CB-CB 4.13Å; F235-E237 HydrophobicContact CD2-CB 4.07Å; F235-E237 HydrophobicContact CD2-CG 4.43Å; F235-E237 HydrophobicContact CE2-CB 3.94Å; F235-E237 HydrophobicContact CE2-CG 3.95Å; E237-A239 PolarHBondContact O-N 2.86Å; E237-V249 CarbonylContact O-C 3.59Å; E237-V249 VanDerWaalsContact O-CA 3.29Å; E237-V249 WeakPolarHBondContact O-CA 3.28Å; E237-V249 WeakPolarHBondContact O-CG1 3.43Å; E237-F250 PolarHBondContact N-O 2.95Å; E237-F250 PolarHBondContact O-N 2.81Å; E237-R252 HydrophobicContact CG-CG 3.99Å; E237-R252 WeakPolarHBondContact OE1-CG 3.39Å; E237-R252 IonicContact OE1-CZ 3.51Å; E237-R252 IonicContact OE1-NE 3.52Å; E237-R252 PolarHBondContact OE1-NE 2.69Å; E237-R252 IonicContact OE1-NH2 2.66Å; E237-R252 PolarHBondContact OE1-NH2 3.2Å; E237-K276 WeakPolarHBondContact OE1-CD 3.26Å; E237-K276 VanDerWaalsContact OE1-CE 3.23Å; E237-K276 WeakPolarHBondContact OE1-CE 3.26Å; E237-K276 IonicContact OE1-NZ 2.73Å; E237-K276 PolarHBondContact OE1-NZ 2.97Å; E237-K276 IonicContact OE2-NZ 3.41Å; E237-K276 PolarHBondContact OE2-NZ 3.49Å
238	T	96.4	Very high	92.6	Very high	26 Å²	26	38.8 Å²	38.8	16%	0.16	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	119.8	169.5	-63.1	0	0	0	0	110.1	N217 A240 T247	N217-T238 WeakPolarHBondContact CB-O 3.42Å; N217-T238 WeakPolarHBondContact ND2-CB 3.26Å; N217-T238 WeakPolarHBondContact ND2-CG2 3.3Å; N217-T238 PolarHBondContact ND2-O 2.79Å; N217-T238 PolarHBondContact O-N 2.75Å; T238-A240 PolarHBondContact O-N 2.88Å; T238-T247 HydrophobicContact CG2-CG2 3.8Å
239	A	95.8	Very high	92.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.201	C	C	.	.			trans	-71.2	98.3	-172.4	0	0	0	0	0	112.1	E237 E241 Y242 A248 F250	E237-A239 PolarHBondContact O-N 2.86Å; A239-E241 PolarHBondContact O-N 2.8Å; A239-E241 VanDerWaalsContact O-N 3.16Å; A239-Y242 PolarHBondContact O-N 2.86Å; A239-A248 WeakPolarHBondContact CB-O 3.49Å; A239-A248 PolarHBondContact N-O 2.9Å; A239-F250 HydrophobicContact CB-CB 4.17Å; A239-F250 HydrophobicContact CB-CD2 3.35Å; A239-F250 HydrophobicContact CB-CE2 3.76Å; A239-F250 HydrophobicContact CB-CG 3.77Å; A239-F250 HydrophobicContact CB-CZ 4.49Å
240	A	91.8	Very high	92.9	Very high	10 Å²	10	30.3 Å²	30.3	8%	0.083	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.6	177.7	0	0	0	0	0	112.9	T238 Y242 N243	T238-A240 PolarHBondContact O-N 2.88Å; A240-Y242 PolarHBondContact O-N 2.67Å; A240-N243 PolarHBondContact O-ND2 2.85Å
241	E	92.5	Very high	92.9	Very high	22 Å²	22	30 Å²	30	10%	0.103	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-72.9	-14.8	176.5	74.5	-87.3	-140.5	0	0	114.6	A239 F250 R252 W356 L392	A239-E241 PolarHBondContact O-N 2.8Å; A239-E241 VanDerWaalsContact O-N 3.16Å; E241-F250 HydrophobicContact CG-CE2 4.38Å; E241-F250 WeakPolarHBondContact OE1-CD2 3.37Å; E241-R252 IonicContact OE1-CZ 3.67Å; E241-R252 IonicContact OE1-NH1 3.33Å; E241-R252 PolarHBondContact OE1-NH1 2.84Å; E241-R252 IonicContact OE1-NH2 2.77Å; E241-R252 PolarHBondContact OE1-NH2 2.95Å; E241-R252 IonicContact OE2-CZ 2.63Å; E241-R252 IonicContact OE2-NH2 3.73Å; E241-R252 PolarHBondContact OE2-NH2 3.38Å; E241-W356 VanDerWaalsContact CA-CE2 3.5Å; E241-W356 HydrophobicContact CB-CB 4.35Å; E241-W356 HydrophobicContact CB-CD2 3.67Å; E241-W356 HydrophobicContact CB-CE3 4.2Å; E241-W356 HydrophobicContact CB-CG 3.75Å; E241-W356 HydrophobicContact CB-CZ2 4.36Å; E241-L392 HydrophobicContact CB-CD2 4.07Å; E241-L392 HydrophobicContact CG-CD2 4.22Å
242	Y	89.2	Confident	92.9	Very high	83 Å²	83	30.1 Å²	30.1	33%	0.325	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-99	-5.1	-179.1	-158.7	-95.7	0	0	0	112.9	A239 A240 N244 C245 G246 A248 F250	A239-Y242 PolarHBondContact O-N 2.86Å; A240-Y242 PolarHBondContact O-N 2.67Å; Y242-N244 PolarHBondContact O-N 2.93Å; Y242-C245 HydrophobicContact CD1-CB 4.03Å; Y242-C245 HydrophobicContact CD2-CB 4.36Å; Y242-C245 HydrophobicContact CE1-CB 3.66Å; Y242-C245 WeakPolarHBondContact CE1-O 3.46Å; Y242-C245 HydrophobicContact CE2-CB 4.02Å; Y242-C245 HydrophobicContact CG-CB 4.37Å; Y242-C245 WeakPolarHBondContact O-CA 3.39Å; Y242-C245 PolarHBondContact O-N 2.81Å; Y242-G246 CarbonylContact C-O 3.53Å; Y242-G246 PolarHBondContact O-N 3.32Å; Y242-G246 VanDerWaalsContact O-O 3.06Å; Y242-A248 HydrophobicContact CD1-CB 3.52Å; Y242-A248 HydrophobicContact CE1-CB 4Å; Y242-A248 HydrophobicContact CG-CB 3.85Å; Y242-F250 HydrophobicContact CD2-CZ 4.21Å
243	N	79.7	Confident	92.9	Very high	87 Å²	87	30 Å²	30	47%	0.465	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-54.4	-29.3	-172.6	-77.7	-14	0	0	0	115.2	A240 C245 G246	A240-N243 PolarHBondContact O-ND2 2.85Å; N243-C245 PolarHBondContact O-N 3.13Å; N243-G246 VanDerWaalsContact CA-O 3.31Å; N243-G246 WeakPolarHBondContact CA-O 3.48Å
244	N	80	Confident	92.9	Very high	85 Å²	85	30 Å²	30	46%	0.455	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-75.3	-11.8	177.7	-70.7	-12.1	0	0	0	113.7	Y242 Q349 S352 S354	Y242-N244 PolarHBondContact O-N 2.93Å; N244-Q349 PolarHBondContact ND2-NE2 3.41Å; N244-S352 PolarHBondContact ND2-O 2.81Å; N244-S352 PolarHBondContact OD1-O 2.94Å; N244-S354 PolarHBondContact ND2-O 3.35Å; N244-S354 VanDerWaalsContact ND2-O 3.1Å
245	C	78.3	Confident	92.9	Very high	43 Å²	43	30.2 Å²	30.2	29%	0.291	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-115.8	11.2	-178.4	-60.8	0	0	0	0	111.9	Y242 N243 C654	Y242-C245 HydrophobicContact CD1-CB 4.03Å; Y242-C245 HydrophobicContact CD2-CB 4.36Å; Y242-C245 HydrophobicContact CE1-CB 3.66Å; Y242-C245 WeakPolarHBondContact CE1-O 3.46Å; Y242-C245 HydrophobicContact CE2-CB 4.02Å; Y242-C245 HydrophobicContact CG-CB 4.37Å; Y242-C245 WeakPolarHBondContact O-CA 3.39Å; Y242-C245 PolarHBondContact O-N 2.81Å; N243-C245 PolarHBondContact O-N 3.13Å; C245-C654 HydrophobicContact CB-CB 4.02Å; C245-C654 WeakPolarHBondContact CB-SG 3.41Å; C245-C654 VanDerWaalsContact SG-CA 3.51Å; C245-C654 WeakPolarHBondContact SG-CB 3.22Å; C245-C654 CovalentContact SG-SG 2.04Å; C245-C654 PolarHBondContact SG-SG 3.33Å
246	G	84.3	Confident	92.8	Very high	37 Å²	37	30.2 Å²	30.2	38%	0.381	17%	0.174	S	C	.	.			trans	109.6	-153.7	-175.5	0	0	0	0	0	112.4	Y242 N243	Y242-G246 CarbonylContact C-O 3.53Å; Y242-G246 PolarHBondContact O-N 3.32Å; Y242-G246 VanDerWaalsContact O-O 3.06Å; N243-G246 VanDerWaalsContact CA-O 3.31Å; N243-G246 WeakPolarHBondContact CA-O 3.48Å
247	T	87.9	Confident	92.8	Very high	119 Å²	119	28.5 Å²	28.5	73%	0.73	17%	0.167	S	C	*	.			trans	-114.1	125.5	-179.7	-54.8	0	0	0	0	109.2	T238	T238-T247 HydrophobicContact CG2-CG2 3.8Å
248	A	92	Very high	92.7	Very high	20 Å²	20	30.8 Å²	30.8	17%	0.165	18%	0.177	C	C	.	.			trans	-133.4	148.8	172.8	0	0	0	0	0	109.2	A239 Y242 F250	A239-A248 WeakPolarHBondContact CB-O 3.49Å; A239-A248 PolarHBondContact N-O 2.9Å; Y242-A248 HydrophobicContact CD1-CB 3.52Å; Y242-A248 HydrophobicContact CE1-CB 4Å; Y242-A248 HydrophobicContact CG-CB 3.85Å; A248-F250 HydrophobicContact CB-CE1 4.33Å
249	V	96	Very high	92.6	Very high	38 Å²	38	31.4 Å²	31.4	23%	0.23	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.9	168.6	174.1	0	0	0	0	107.6	R236 E237 N292 E293	R236-V249 HydrophobicContact CB-CG1 3.81Å; R236-V249 HydrophobicContact CG-CG1 4.23Å; E237-V249 CarbonylContact O-C 3.59Å; E237-V249 VanDerWaalsContact O-CA 3.29Å; E237-V249 WeakPolarHBondContact O-CA 3.28Å; E237-V249 WeakPolarHBondContact O-CG1 3.43Å; V249-N292 WeakPolarHBondContact O-CB 3.05Å; V249-E293 HydrophobicContact CB-CG 4.21Å; V249-E293 HydrophobicContact CG1-CG 3.86Å
250	F	97.9	Very high	92.5	Very high	17 Å²	17	31.5 Å²	31.5	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146	170.1	-72.1	-22.8	0	0	0	111.2	R236 E237 A239 E241 Y242 A248 N292	R236-F250 CarbonylContact C-O 3.43Å; R236-F250 WeakPolarHBondContact CA-O 3.17Å; E237-F250 PolarHBondContact N-O 2.95Å; E237-F250 PolarHBondContact O-N 2.81Å; A239-F250 HydrophobicContact CB-CB 4.17Å; A239-F250 HydrophobicContact CB-CD2 3.35Å; A239-F250 HydrophobicContact CB-CE2 3.76Å; A239-F250 HydrophobicContact CB-CG 3.77Å; A239-F250 HydrophobicContact CB-CZ 4.49Å; E241-F250 HydrophobicContact CG-CE2 4.38Å; E241-F250 WeakPolarHBondContact OE1-CD2 3.37Å; Y242-F250 HydrophobicContact CD2-CZ 4.21Å; A248-F250 HydrophobicContact CB-CE1 4.33Å; F250-N292 CarbonylContact C-O 3.56Å; F250-N292 HydrophobicContact CD1-CB 4.24Å
251	S	98.8	Very high	92.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144	170.7	-66.6	0	0	0	0	111.2	F235 R278 L279 N292 I294	F235-S251 CarbonylContact O-C 3.46Å; F235-S251 WeakPolarHBondContact O-CA 3.31Å; S251-R278 CarbonylContact O-C 3.48Å; S251-R278 WeakPolarHBondContact O-CA 3.35Å; S251-L279 PolarHBondContact O-N 2.85Å; S251-N292 WeakPolarHBondContact CB-O 3.3Å; S251-N292 PolarHBondContact N-O 2.92Å; S251-N292 VanDerWaalsContact OG-C 3.31Å; S251-N292 PolarHBondContact OG-O 3.47Å; S251-I294 WeakPolarHBondContact OG-CB 3.49Å; S251-I294 PolarHBondContact OG-N 2.75Å
252	R	98.7	Very high	92.4	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.4	-171	-58	-62.2	-164.9	-163.7	-6.9	111.5	W234 F235 E237 E241 A277 L279	W234-R252 WeakPolarHBondContact CA-O 3.5Å; F235-R252 HydrophobicContact CD1-CB 3.95Å; F235-R252 HydrophobicContact CD2-CB 4.18Å; F235-R252 HydrophobicContact CD2-CG 4.36Å; F235-R252 HydrophobicContact CE1-CB 3.58Å; F235-R252 HydrophobicContact CE1-CG 4.41Å; F235-R252 HydrophobicContact CE2-CB 3.86Å; F235-R252 HydrophobicContact CE2-CG 3.85Å; F235-R252 HydrophobicContact CG-CB 4.23Å; F235-R252 HydrophobicContact CZ-CB 3.54Å; F235-R252 HydrophobicContact CZ-CG 3.87Å; F235-R252 PolarHBondContact N-O 2.87Å; F235-R252 PolarHBondContact O-N 2.87Å; E237-R252 HydrophobicContact CG-CG 3.99Å; E237-R252 WeakPolarHBondContact OE1-CG 3.39Å; E237-R252 IonicContact OE1-CZ 3.51Å; E237-R252 IonicContact OE1-NE 3.52Å; E237-R252 PolarHBondContact OE1-NE 2.69Å; E237-R252 IonicContact OE1-NH2 2.66Å; E237-R252 PolarHBondContact OE1-NH2 3.2Å; E241-R252 IonicContact OE1-CZ 3.67Å; E241-R252 IonicContact OE1-NH1 3.33Å; E241-R252 PolarHBondContact OE1-NH1 2.84Å; E241-R252 IonicContact OE1-NH2 2.77Å; E241-R252 PolarHBondContact OE1-NH2 2.95Å; E241-R252 IonicContact OE2-CZ 2.63Å; E241-R252 IonicContact OE2-NH2 3.73Å; E241-R252 PolarHBondContact OE2-NH2 3.38Å; R252-A277 VanDerWaalsContact CA-O 3.22Å; R252-A277 WeakPolarHBondContact CA-O 3.44Å; R252-A277 WeakPolarHBondContact CD-O 3.47Å; R252-L279 WeakPolarHBondContact O-CD1 3.35Å
253	V	98.9	Very high	92.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133	152.8	58	0	0	0	0	107.6	Y232 F233 W234 K276 A277 L279 V337 F341 V397	Y232-V253 HydrophobicContact CD1-CG2 3.99Å; F233-V253 CarbonylContact O-C 3.58Å; F233-V253 WeakPolarHBondContact O-CA 3.49Å; W234-V253 HydrophobicContact CD2-CB 4.32Å; W234-V253 HydrophobicContact CD2-CG2 4.34Å; W234-V253 HydrophobicContact CZ2-CB 4.36Å; W234-V253 HydrophobicContact CZ2-CG2 4.09Å; V253-K276 CarbonylContact O-C 3.57Å; V253-K276 VanDerWaalsContact O-CA 3.27Å; V253-K276 WeakPolarHBondContact O-CA 3.01Å; V253-A277 HydrophobicContact CG1-CB 4.37Å; V253-A277 PolarHBondContact N-O 2.91Å; V253-A277 PolarHBondContact O-N 2.78Å; V253-L279 HydrophobicContact CB-CD2 4.1Å; V253-L279 HydrophobicContact CB-CG 4.47Å; V253-L279 HydrophobicContact CG1-CD2 3.84Å; V253-L279 HydrophobicContact CG1-CG 4.43Å; V253-V337 HydrophobicContact CG1-CG1 4.17Å; V253-V337 HydrophobicContact CG2-CG1 4.15Å; V253-F341 HydrophobicContact CG1-CE2 4.25Å; V253-F341 HydrophobicContact CG1-CZ 4.15Å; V253-F341 WeakPolarHBondContact O-CZ 3.35Å; V253-V397 HydrophobicContact CG1-CG2 3.84Å
254	A	98.8	Very high	92.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	155.1	170.2	0	0	0	0	0	111	Y232 F233 F235 F274 L275 K276	Y232-A254 CarbonylContact C-O 3.59Å; Y232-A254 VanDerWaalsContact CA-O 3.22Å; Y232-A254 WeakPolarHBondContact CA-O 3.29Å; F233-A254 HydrophobicContact CB-CB 4.49Å; F233-A254 PolarHBondContact N-O 3.36Å; F233-A254 PolarHBondContact O-N 3.23Å; F235-A254 HydrophobicContact CE1-CB 3.69Å; F235-A254 HydrophobicContact CZ-CB 4.39Å; A254-F274 HydrophobicContact CB-CE2 3.78Å; A254-F274 HydrophobicContact CB-CZ 3.97Å; A254-L275 CarbonylContact C-O 3.6Å; A254-L275 WeakPolarHBondContact CA-O 3.22Å; A254-L275 WeakPolarHBondContact CB-O 3.2Å; A254-K276 HydrophobicContact CB-CB 3.91Å
255	R	98.2	Very high	92.1	Very high	6 Å²	6	30.3 Å²	30.3	2%	0.023	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.4	-179.5	-173.5	-172.9	75.5	179.2	0.6	109.7	S230 V231 Y232 F274 L275 F341 G370 D371	S230-R255 WeakPolarHBondContact OG-CD 3.36Å; V231-R255 WeakPolarHBondContact O-CA 3.12Å; Y232-R255 HydrophobicContact CD1-CB 4.1Å; Y232-R255 HydrophobicContact CD1-CG 4.21Å; Y232-R255 HydrophobicContact CE1-CB 3.97Å; Y232-R255 HydrophobicContact CE1-CG 3.76Å; R255-F274 WeakPolarHBondContact O-CA 3.5Å; R255-L275 PolarHBondContact N-O 2.85Å; R255-L275 PolarHBondContact O-N 2.98Å; R255-L275 VanDerWaalsContact O-N 3.11Å; R255-F341 HydrophobicContact CB-CD2 4.13Å; R255-F341 HydrophobicContact CB-CE1 4.4Å; R255-F341 HydrophobicContact CB-CE2 3.93Å; R255-F341 HydrophobicContact CB-CG 4.45Å; R255-F341 HydrophobicContact CB-CZ 4.08Å; R255-F341 VanDerWaalsContact CZ-CB 3.43Å; R255-G370 PolarHBondContact NH2-O 2.83Å; R255-D371 IonicContact NH2-OD1 3.4Å
256	V	98.4	Very high	91.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.3	162.1	-61.6	0	0	0	0	109.5	Y180 V194 S230 V231 F233 W271 F274	Y180-V256 HydrophobicContact CD1-CG2 3.92Å; Y180-V256 HydrophobicContact CE1-CG2 3.83Å; V194-V256 HydrophobicContact CG1-CG1 4.3Å; S230-V256 CarbonylContact C-O 3.58Å; S230-V256 VanDerWaalsContact CA-O 3.25Å; S230-V256 WeakPolarHBondContact CA-O 3.36Å; S230-V256 WeakPolarHBondContact CB-O 3.32Å; V231-V256 HydrophobicContact CB-CG2 4.03Å; V231-V256 PolarHBondContact N-O 3.3Å; V231-V256 PolarHBondContact O-N 3.44Å; F233-V256 HydrophobicContact CE2-CG2 3.91Å; V256-W271 HydrophobicContact CB-CD2 4.42Å; V256-W271 HydrophobicContact CB-CE3 4.23Å; V256-W271 HydrophobicContact CB-CZ3 4.28Å; V256-W271 HydrophobicContact CG1-CD2 4.02Å; V256-W271 HydrophobicContact CG1-CE3 4.31Å; V256-W271 HydrophobicContact CG1-CG 4.25Å; V256-W271 HydrophobicContact CG2-CH2 4.3Å; V256-W271 HydrophobicContact CG2-CZ3 4.46Å; V256-F274 HydrophobicContact CG1-CB 4.04Å; V256-F274 HydrophobicContact CG1-CD2 3.76Å; V256-F274 HydrophobicContact CG1-CG 4.39Å
257	C	97.4	Very high	90.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.3	176.8	-66.8	0	0	0	0	111.1	S259 D260 S273 C372	C257-S259 PolarHBondContact O-N 2.88Å; C257-D260 HydrophobicContact CB-CB 4.3Å; C257-D260 WeakPolarHBondContact O-CB 3.45Å; C257-D260 PolarHBondContact O-N 3.47Å; C257-S273 PolarHBondContact N-OG 3.07Å; C257-C372 HydrophobicContact CB-CB 3.79Å; C257-C372 WeakPolarHBondContact CB-SG 3.45Å; C257-C372 WeakPolarHBondContact SG-CA 3.38Å; C257-C372 WeakPolarHBondContact SG-CB 3.35Å; C257-C372 PolarHBondContact SG-N 3.45Å; C257-C372 VanDerWaalsContact SG-N 3.43Å; C257-C372 CovalentContact SG-SG 2.04Å; C257-C372 PolarHBondContact SG-SG 2.82Å
258	K	95.7	Very high	89.2	Confident	50 Å²	50	34.6 Å²	34.6	22%	0.217	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-36	173.5	-65.8	177.5	-179.8	-178.7	0	111.5	L173 E175 Y180 Q228 N229 S230 V231 D260	L173-K258 HydrophobicContact CD1-CD 3.99Å; L173-K258 HydrophobicContact CD1-CG 3.95Å; E175-K258 IonicContact OE1-NZ 3.08Å; Y180-K258 PolarHBondContact OH-O 2.83Å; Q228-K258 VanDerWaalsContact O-CE 3.29Å; Q228-K258 WeakPolarHBondContact O-CE 3.42Å; Q228-K258 PolarHBondContact O-NZ 2.84Å; N229-K258 WeakPolarHBondContact O-CB 3.39Å; N229-K258 WeakPolarHBondContact O-CG 3.3Å; N229-K258 PolarHBondContact O-N 2.74Å; S230-K258 WeakPolarHBondContact O-CE 2.95Å; V231-K258 HydrophobicContact CG2-CG 4.1Å; K258-D260 VanDerWaalsContact C-N 3.3Å; K258-D260 PolarHBondContact O-N 2.9Å
259	S	93.8	Very high	88.9	Confident	40 Å²	40	37.4 Å²	37.4	28%	0.28	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.5	-178.9	62	0	0	0	0	114.9	C257 Q261 S373	C257-S259 PolarHBondContact O-N 2.88Å; S259-Q261 WeakPolarHBondContact O-CG 3.43Å; S259-Q261 PolarHBondContact O-N 2.8Å; S259-Q261 PolarHBondContact O-NE2 3.01Å; S259-Q261 VanDerWaalsContact O-NE2 3.15Å; S259-S373 WeakPolarHBondContact CB-O 3.34Å; S259-S373 PolarHBondContact OG-O 2.95Å
260	D	94.3	Very high	88.7	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.011	19%	0.186	C	C	.	.			trans	-62	123.1	-175.9	-165.7	-18.6	0	0	0	110.8	R196 L206 C257 K258 G262 W271 T272 S273 S376	R196-D260 PolarHBondContact NH1-O 3.31Å; R196-D260 PolarHBondContact NH2-O 3.5Å; L206-D260 HydrophobicContact CD1-CB 4.17Å; L206-D260 WeakPolarHBondContact CD1-O 3.39Å; C257-D260 HydrophobicContact CB-CB 4.3Å; C257-D260 WeakPolarHBondContact O-CB 3.45Å; C257-D260 PolarHBondContact O-N 3.47Å; K258-D260 VanDerWaalsContact C-N 3.3Å; K258-D260 PolarHBondContact O-N 2.9Å; D260-G262 WeakPolarHBondContact OD1-CA 3.37Å; D260-G262 PolarHBondContact OD1-N 2.9Å; D260-W271 HydrophobicContact CB-CE3 4.04Å; D260-W271 HydrophobicContact CB-CZ3 4.05Å; D260-T272 PolarHBondContact OD1-OG1 2.98Å; D260-T272 PolarHBondContact OD2-N 3.31Å; D260-T272 PolarHBondContact OD2-OG1 2.96Å; D260-S273 VanDerWaalsContact OD2-CB 3.26Å; D260-S273 WeakPolarHBondContact OD2-CB 3.4Å; D260-S273 PolarHBondContact OD2-N 2.98Å; D260-S273 PolarHBondContact OD2-OG 3.09Å; D260-S376 PolarHBondContact OD1-OG 2.86Å
261	Q	91.8	Very high	88.6	Confident	55 Å²	55	36.3 Å²	36.3	26%	0.257	19%	0.185	S	C	.	.			trans	-104.3	5.9	178.7	-59.8	-56.1	-50.9	0	0	112.2	S259 S376 K377	S259-Q261 WeakPolarHBondContact O-CG 3.43Å; S259-Q261 PolarHBondContact O-N 2.8Å; S259-Q261 PolarHBondContact O-NE2 3.01Å; S259-Q261 VanDerWaalsContact O-NE2 3.15Å; Q261-S376 WeakPolarHBondContact CA-OG 3.43Å; Q261-S376 WeakPolarHBondContact CB-OG 3.25Å; Q261-S376 PolarHBondContact N-OG 3.11Å; Q261-K377 HydrophobicContact CB-CD 4.38Å; Q261-K377 HydrophobicContact CB-CG 4.07Å; Q261-K377 WeakPolarHBondContact O-CE 3.06Å
262	G	90.9	Very high	88.4	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.01	19%	0.186	C	C	.	.			trans	78.5	-167.8	-172.5	0	0	0	0	0	112.5	D260 T272 S376	D260-G262 WeakPolarHBondContact OD1-CA 3.37Å; D260-G262 PolarHBondContact OD1-N 2.9Å; G262-T272 VanDerWaalsContact C-CG2 3.41Å; G262-S376 PolarHBondContact N-OG 3.4Å; G262-S376 CarbonylContact O-C 3.54Å; G262-S376 PolarHBondContact O-OG 3.32Å
263	D	84.5	Confident	88.3	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.037	19%	0.187	C	C	.	.			trans	-79	156.8	174.8	-171.6	-19.5	0	0	0	110.1	R265 T272 I384 R388	D263-R265 PolarHBondContact O-N 2.89Å; D263-R265 PolarHBondContact OD1-N 2.91Å; D263-R265 IonicContact OD1-NE 3.47Å; D263-R265 IonicContact OD2-CZ 3.18Å; D263-R265 IonicContact OD2-NE 2.77Å; D263-R265 PolarHBondContact OD2-NE 2.88Å; D263-R265 IonicContact OD2-NH2 2.75Å; D263-R265 PolarHBondContact OD2-NH2 3.48Å; D263-T272 HydrophobicContact CB-CG2 4.4Å; D263-I384 WeakPolarHBondContact OD2-CG2 3.45Å; D263-R388 VanDerWaalsContact CB-NH2 3.28Å; D263-R388 IonicContact OD2-CZ 3.84Å; D263-R388 IonicContact OD2-NH1 3.83Å; D263-R388 IonicContact OD2-NH2 2.78Å; D263-R388 PolarHBondContact OD2-NH2 2.94Å
264	Y	79.6	Confident	88.2	Confident	109 Å²	109	36.9 Å²	36.9	43%	0.427	19%	0.188	S	C	.	.	S	Bend	trans	-65.5	-26.1	169.6	72.2	-88.8	0	0	0	111.8	T266 D381	Y264-T266 PolarHBondContact O-N 2.93Å; Y264-D381 WeakPolarHBondContact CE1-OD1 3.48Å; Y264-D381 PolarHBondContact OH-OD1 2.81Å; Y264-D381 PolarHBondContact OH-OD2 2.69Å
265	R	77.2	Confident	88.2	Confident	89 Å²	89	36.9 Å²	36.9	34%	0.336	19%	0.188	S	C	.	.			trans	-67.6	101.1	174.6	-66.7	-175.2	-68.2	-178.2	-10.3	110	D263 D267 T268	D263-R265 PolarHBondContact O-N 2.89Å; D263-R265 PolarHBondContact OD1-N 2.91Å; D263-R265 IonicContact OD1-NE 3.47Å; D263-R265 IonicContact OD2-CZ 3.18Å; D263-R265 IonicContact OD2-NE 2.77Å; D263-R265 PolarHBondContact OD2-NE 2.88Å; D263-R265 IonicContact OD2-NH2 2.75Å; D263-R265 PolarHBondContact OD2-NH2 3.48Å; R265-D267 WeakPolarHBondContact CB-OD1 3.24Å; R265-D267 PolarHBondContact O-N 3.49Å; R265-D267 VanDerWaalsContact O-N 3.07Å; R265-T268 PolarHBondContact O-N 3.35Å; R265-T268 PolarHBondContact O-OG1 3.45Å
266	T	61.1	Low	88.2	Confident	131 Å²	131	36.7 Å²	36.7	80%	0.804	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.3	-174.9	48.6	0	0	0	0	114.3	Y264 T268	Y264-T266 PolarHBondContact O-N 2.93Å; T266-T268 VanDerWaalsContact C-N 3.27Å
267	D	63.4	Low	88.2	Confident	130 Å²	130	36.7 Å²	36.7	70%	0.695	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.7	174.3	66.1	-28.2	0	0	0	113.1	R265	R265-D267 WeakPolarHBondContact CB-OD1 3.24Å; R265-D267 PolarHBondContact O-N 3.49Å; R265-D267 VanDerWaalsContact O-N 3.07Å
268	T	66.6	Low	88.3	Confident	28 Å²	28	38.5 Å²	38.5	17%	0.172	19%	0.194	C	C	.	.			trans	-121.7	88.2	-177.3	60	0	0	0	0	112.4	R265 T266 T270 R388	R265-T268 PolarHBondContact O-N 3.35Å; R265-T268 PolarHBondContact O-OG1 3.45Å; T266-T268 VanDerWaalsContact C-N 3.27Å; T268-T270 PolarHBondContact O-N 2.63Å; T268-R388 PolarHBondContact OG1-NH2 3.22Å
269	D	85.3	Confident	88.4	Confident	79 Å²	79	36.2 Å²	36.2	42%	0.422	18%	0.184	S	C	.	.			trans	-70	47.2	167.5	-72.1	-30.3	0	0	0	111.7	A205 L206 R207	A205-D269 WeakPolarHBondContact O-CB 3.24Å; L206-D269 CarbonylContact C-O 3.49Å; L206-D269 WeakPolarHBondContact CA-O 3.34Å; R207-D269 WeakPolarHBondContact CG-O 3.47Å; R207-D269 PolarHBondContact N-O 2.89Å
270	T	92	Very high	88.6	Confident	21 Å²	21	36.2 Å²	36.2	13%	0.129	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-113.1	144.4	-174.8	58.8	0	0	0	0	112.4	R207 T268 R388	R207-T270 WeakPolarHBondContact O-CA 3.4Å; T268-T270 PolarHBondContact O-N 2.63Å; T270-R388 VanDerWaalsContact OG1-CZ 3.29Å; T270-R388 PolarHBondContact OG1-NH2 2.93Å
271	W	94.8	Very high	88.8	Confident	11 Å²	11	36.2 Å²	36.2	4%	0.042	18%	0.181	C	C	.	.			trans	-54.1	140	175.4	-62.3	115.7	0	0	0	112.6	Y180 V194 R196 L206 R207 T208 V256 D260 F274	Y180-W271 HydrophobicContact CD1-CH2 4.12Å; Y180-W271 AromaticContact CE1-CH2 3.57Å; Y180-W271 HydrophobicContact CE1-CH2 3.57Å; Y180-W271 HydrophobicContact CE1-CZ2 4.37Å; Y180-W271 HydrophobicContact CE1-CZ3 4.29Å; V194-W271 PolarHBondContact O-NE1 3.04Å; R196-W271 HydrophobicContact CB-CH2 3.4Å; R196-W271 VanDerWaalsContact CB-CH2 3.4Å; R196-W271 HydrophobicContact CB-CZ2 3.59Å; R196-W271 HydrophobicContact CG-CH2 4.36Å; L206-W271 HydrophobicContact CB-CD2 3.69Å; L206-W271 HydrophobicContact CB-CE3 3.67Å; L206-W271 HydrophobicContact CB-CG 4.45Å; L206-W271 HydrophobicContact CB-CH2 3.79Å; L206-W271 HydrophobicContact CB-CZ2 3.79Å; L206-W271 HydrophobicContact CB-CZ3 3.74Å; L206-W271 HydrophobicContact CD1-CD2 4.27Å; L206-W271 HydrophobicContact CD1-CE3 3.46Å; L206-W271 VanDerWaalsContact CD1-CE3 3.46Å; L206-W271 HydrophobicContact CD1-CH2 4.27Å; L206-W271 HydrophobicContact CD1-CZ3 3.47Å; L206-W271 VanDerWaalsContact CD1-CZ3 3.47Å; L206-W271 HydrophobicContact CG-CE3 4.22Å; L206-W271 HydrophobicContact CG-CZ3 4.23Å; R207-W271 VanDerWaalsContact O-CD1 3.31Å; R207-W271 PolarHBondContact O-N 2.94Å; T208-W271 VanDerWaalsContact N-CD1 3.33Å; V256-W271 HydrophobicContact CB-CD2 4.42Å; V256-W271 HydrophobicContact CB-CE3 4.23Å; V256-W271 HydrophobicContact CB-CZ3 4.28Å; V256-W271 HydrophobicContact CG1-CD2 4.02Å; V256-W271 HydrophobicContact CG1-CE3 4.31Å; V256-W271 HydrophobicContact CG1-CG 4.25Å; V256-W271 HydrophobicContact CG2-CH2 4.3Å; V256-W271 HydrophobicContact CG2-CZ3 4.46Å; D260-W271 HydrophobicContact CB-CE3 4.04Å; D260-W271 HydrophobicContact CB-CZ3 4.05Å; W271-F274 HydrophobicContact CB-CB 3.69Å; W271-F274 HydrophobicContact CG-CB 4.14Å
272	T	94.5	Very high	89	Confident	7 Å²	7	34.1 Å²	34.1	4%	0.043	17%	0.173	C	C	.	.	S	Bend	trans	-104.1	-5	167.8	66.5	0	0	0	0	112	D260 G262 D263 S376 I384 V387	D260-T272 PolarHBondContact OD1-OG1 2.98Å; D260-T272 PolarHBondContact OD2-N 3.31Å; D260-T272 PolarHBondContact OD2-OG1 2.96Å; G262-T272 VanDerWaalsContact C-CG2 3.41Å; D263-T272 HydrophobicContact CB-CG2 4.4Å; T272-S376 VanDerWaalsContact OG1-CB 3.26Å; T272-S376 WeakPolarHBondContact OG1-CB 3.46Å; T272-I384 HydrophobicContact CG2-CD1 3.55Å; T272-V387 WeakPolarHBondContact O-CG1 3.46Å
273	S	96.4	Very high	89.2	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	-119.7	2	-175.9	61.9	0	0	0	0	115.3	C257 D260 L275	C257-S273 PolarHBondContact N-OG 3.07Å; D260-S273 VanDerWaalsContact OD2-CB 3.26Å; D260-S273 WeakPolarHBondContact OD2-CB 3.4Å; D260-S273 PolarHBondContact OD2-N 2.98Å; D260-S273 PolarHBondContact OD2-OG 3.09Å; S273-L275 PolarHBondContact O-N 3.43Å
274	F	97.6	Very high	89.4	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.018	20%	0.195	C	C	.	.			trans	-71.9	114.7	-177.8	179.6	-88.6	0	0	0	111.5	V194 T208 C215 L216 A254 R255 V256 W271 N391	V194-F274 HydrophobicContact CB-CD2 4.39Å; V194-F274 HydrophobicContact CB-CE2 4.13Å; V194-F274 HydrophobicContact CG2-CE2 3.85Å; T208-F274 HydrophobicContact CG2-CD1 4.23Å; T208-F274 HydrophobicContact CG2-CD2 3.69Å; T208-F274 HydrophobicContact CG2-CE1 4.32Å; T208-F274 HydrophobicContact CG2-CE2 3.79Å; T208-F274 HydrophobicContact CG2-CG 3.92Å; T208-F274 HydrophobicContact CG2-CZ 4.11Å; C215-F274 VanDerWaalsContact SG-CE1 3.57Å; L216-F274 HydrophobicContact CD2-CZ 4.14Å; A254-F274 HydrophobicContact CB-CE2 3.78Å; A254-F274 HydrophobicContact CB-CZ 3.97Å; R255-F274 WeakPolarHBondContact O-CA 3.5Å; V256-F274 HydrophobicContact CG1-CB 4.04Å; V256-F274 HydrophobicContact CG1-CD2 3.76Å; V256-F274 HydrophobicContact CG1-CG 4.39Å; W271-F274 HydrophobicContact CB-CB 3.69Å; W271-F274 HydrophobicContact CG-CB 4.14Å; F274-N391 HydrophobicContact CD1-CB 4.08Å; F274-N391 HydrophobicContact CE1-CB 4.32Å
275	L	98.6	Very high	89.8	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.1	172.7	-61.5	-180	0	0	0	110.4	A254 R255 S273 F341 F346 V387 N391 M393	A254-L275 CarbonylContact C-O 3.6Å; A254-L275 WeakPolarHBondContact CA-O 3.22Å; A254-L275 WeakPolarHBondContact CB-O 3.2Å; R255-L275 PolarHBondContact N-O 2.85Å; R255-L275 PolarHBondContact O-N 2.98Å; R255-L275 VanDerWaalsContact O-N 3.11Å; S273-L275 PolarHBondContact O-N 3.43Å; L275-F341 HydrophobicContact CB-CD1 3.76Å; L275-F341 HydrophobicContact CB-CE1 3.84Å; L275-F341 HydrophobicContact CD1-CD1 4.29Å; L275-F346 HydrophobicContact CD1-CE1 4.29Å; L275-F346 HydrophobicContact CD1-CZ 4.32Å; L275-F346 HydrophobicContact CD2-CD1 4.48Å; L275-F346 HydrophobicContact CD2-CE1 3.58Å; L275-F346 HydrophobicContact CD2-CZ 4.34Å; L275-V387 HydrophobicContact CD2-CG2 4.06Å; L275-N391 CarbonylContact C-O 3.54Å; L275-N391 WeakPolarHBondContact CA-O 3.33Å; L275-M393 HydrophobicContact CB-SD 4.48Å; L275-M393 HydrophobicContact CD1-SD 4.11Å
276	K	98.5	Very high	90.4	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.3	174.3	67.7	-177.8	178.8	-177.5	0	112.2	K214 C215 F235 E237 V253 A254 N391 L392 M393	K214-K276 PolarHBondContact O-NZ 2.76Å; C215-K276 WeakPolarHBondContact O-CE 3.45Å; C215-K276 PolarHBondContact O-NZ 3.1Å; F235-K276 HydrophobicContact CZ-CD 4.17Å; E237-K276 WeakPolarHBondContact OE1-CD 3.26Å; E237-K276 VanDerWaalsContact OE1-CE 3.23Å; E237-K276 WeakPolarHBondContact OE1-CE 3.26Å; E237-K276 IonicContact OE1-NZ 2.73Å; E237-K276 PolarHBondContact OE1-NZ 2.97Å; E237-K276 IonicContact OE2-NZ 3.41Å; E237-K276 PolarHBondContact OE2-NZ 3.49Å; V253-K276 CarbonylContact O-C 3.57Å; V253-K276 VanDerWaalsContact O-CA 3.27Å; V253-K276 WeakPolarHBondContact O-CA 3.01Å; A254-K276 HydrophobicContact CB-CB 3.91Å; K276-N391 PolarHBondContact N-O 3.11Å; K276-L392 HydrophobicContact CG-CD1 4.05Å; K276-L392 CarbonylContact O-C 3.5Å; K276-L392 WeakPolarHBondContact O-CA 3.42Å; K276-M393 PolarHBondContact O-N 3.08Å
277	A	98.8	Very high	91.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.4	177.2	0	0	0	0	0	110.3	R252 V253 I340 F341 M393 V397	R252-A277 VanDerWaalsContact CA-O 3.22Å; R252-A277 WeakPolarHBondContact CA-O 3.44Å; R252-A277 WeakPolarHBondContact CD-O 3.47Å; V253-A277 HydrophobicContact CG1-CB 4.37Å; V253-A277 PolarHBondContact N-O 2.91Å; V253-A277 PolarHBondContact O-N 2.78Å; A277-I340 HydrophobicContact CB-CG2 3.75Å; A277-F341 HydrophobicContact CB-CE1 4.07Å; A277-F341 HydrophobicContact CB-CZ 4.09Å; A277-M393 HydrophobicContact CB-CB 3.94Å; A277-M393 HydrophobicContact CB-CG 4.06Å; A277-V397 HydrophobicContact CB-CG2 4.32Å
278	R	98.6	Very high	93.2	Very high	39 Å²	39	34.2 Å²	34.2	15%	0.147	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	142.5	174.6	-177.4	177.5	178.4	-163.5	0.5	109.9	S251 N292 A396 V397	S251-R278 CarbonylContact O-C 3.48Å; S251-R278 WeakPolarHBondContact O-CA 3.35Å; R278-N292 PolarHBondContact NH2-OD1 2.88Å; R278-A396 HydrophobicContact CB-CB 3.87Å; R278-A396 HydrophobicContact CG-CB 4.12Å; R278-A396 CarbonylContact O-C 3.54Å; R278-A396 VanDerWaalsContact O-CA 3.24Å; R278-A396 WeakPolarHBondContact O-CA 2.95Å; R278-V397 PolarHBondContact O-N 2.99Å
279	L	98.9	Very high	94.4	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.5	167.9	-65	167	0	0	0	109.2	W234 S251 R252 V253 I294 F317 F332 V397	W234-L279 HydrophobicContact CD2-CD1 4.36Å; W234-L279 HydrophobicContact CE3-CD1 3.33Å; W234-L279 HydrophobicContact CE3-CD2 4.13Å; W234-L279 HydrophobicContact CE3-CG 4.37Å; W234-L279 HydrophobicContact CH2-CD1 4.49Å; W234-L279 HydrophobicContact CH2-CD2 3.78Å; W234-L279 HydrophobicContact CZ3-CD1 3.41Å; W234-L279 VanDerWaalsContact CZ3-CD1 3.41Å; W234-L279 HydrophobicContact CZ3-CD2 3.42Å; W234-L279 VanDerWaalsContact CZ3-CD2 3.42Å; W234-L279 HydrophobicContact CZ3-CG 4.06Å; S251-L279 PolarHBondContact O-N 2.85Å; R252-L279 WeakPolarHBondContact O-CD1 3.35Å; V253-L279 HydrophobicContact CB-CD2 4.1Å; V253-L279 HydrophobicContact CB-CG 4.47Å; V253-L279 HydrophobicContact CG1-CD2 3.84Å; V253-L279 HydrophobicContact CG1-CG 4.43Å; L279-I294 HydrophobicContact CD1-CD1 4.18Å; L279-F317 HydrophobicContact CB-CE1 4.3Å; L279-F317 HydrophobicContact CB-CZ 4.39Å; L279-F317 HydrophobicContact CD1-CE1 4.49Å; L279-F317 HydrophobicContact CD1-CZ 4.37Å; L279-F332 HydrophobicContact CB-CE1 4.05Å; L279-F332 HydrophobicContact CB-CZ 3.92Å; L279-F332 HydrophobicContact CD2-CD1 3.95Å; L279-F332 HydrophobicContact CD2-CD2 4.43Å; L279-F332 HydrophobicContact CD2-CE1 3.97Å; L279-F332 HydrophobicContact CD2-CE2 4.45Å; L279-F332 HydrophobicContact CD2-CG 4.18Å; L279-F332 HydrophobicContact CD2-CZ 4.23Å; L279-V397 HydrophobicContact CD2-CB 3.99Å; L279-V397 HydrophobicContact CD2-CG2 4.02Å
280	N	98.1	Very high	94.9	Very high	40 Å²	40	37 Å²	37	21%	0.214	21%	0.208	C	C	.	.			trans	-97.6	104	178.5	-170	4.5	0	0	0	111.5	S282 Y290 A396 V397 N399	N280-S282 WeakPolarHBondContact OD1-CB 3.4Å; N280-S282 PolarHBondContact OD1-OG 3.03Å; N280-S282 VanDerWaalsContact OD1-OG 3.05Å; N280-Y290 WeakPolarHBondContact OD1-CE1 3.31Å; N280-A396 HydrophobicContact CB-CB 4.04Å; N280-V397 VanDerWaalsContact CB-O 3.29Å; N280-V397 WeakPolarHBondContact CB-O 3.33Å; N280-V397 PolarHBondContact N-O 3.32Å; N280-N399 PolarHBondContact O-N 3.45Å
281	C	98.4	Very high	95.2	Very high	1 Å²	1	36 Å²	36	1%	0.007	20%	0.202	C	C	.	.			trans	-115.8	91.2	168.2	-172.1	0	0	0	0	108.6	F291 F317 C330 F332	C281-F291 PolarHBondContact O-N 3.36Å; C281-F317 HydrophobicContact CB-CB 4.46Å; C281-F317 HydrophobicContact CB-CD1 4.02Å; C281-F317 HydrophobicContact CB-CD2 3.79Å; C281-F317 HydrophobicContact CB-CE1 4.19Å; C281-F317 HydrophobicContact CB-CE2 3.99Å; C281-F317 HydrophobicContact CB-CG 3.83Å; C281-F317 HydrophobicContact CB-CZ 4.2Å; C281-F317 WeakPolarHBondContact SG-CD2 2.97Å; C281-C330 WeakPolarHBondContact CA-SG 3.48Å; C281-C330 HydrophobicContact CB-CB 3.78Å; C281-C330 WeakPolarHBondContact CB-SG 3.31Å; C281-C330 WeakPolarHBondContact SG-CB 3.21Å; C281-C330 CovalentContact SG-SG 2.03Å; C281-C330 PolarHBondContact SG-SG 3.41Å; C281-F332 HydrophobicContact CB-CZ 4.49Å
282	S	96.2	Very high	95.3	Very high	12 Å²	12	36.8 Å²	36.8	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.2	-174.3	67.3	0	0	0	0	113.4	N280 F289 P404	N280-S282 WeakPolarHBondContact OD1-CB 3.4Å; N280-S282 PolarHBondContact OD1-OG 3.03Å; N280-S282 VanDerWaalsContact OD1-OG 3.05Å; S282-F289 CarbonylContact C-O 3.56Å; S282-F289 WeakPolarHBondContact CA-O 3.29Å; S282-F289 WeakPolarHBondContact CB-O 3.14Å; S282-P404 VanDerWaalsContact O-CD 3.31Å; S282-P404 WeakPolarHBondContact O-CD 3.49Å
283	L	93.5	Very high	95.5	Very high	35 Å²	35	37.7 Å²	37.7	18%	0.183	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.1	163.9	-77	166.9	0	0	0	109.6	P288 F289 F291 V407	L283-P288 VanDerWaalsContact O-CA 3.31Å; L283-P288 WeakPolarHBondContact O-CA 3.12Å; L283-P288 WeakPolarHBondContact O-CB 3.33Å; L283-F289 HydrophobicContact CB-CB 4.28Å; L283-F289 PolarHBondContact N-O 3.4Å; L283-F289 PolarHBondContact O-N 2.77Å; L283-F291 HydrophobicContact CD1-CE2 4.36Å; L283-F291 HydrophobicContact CG-CE2 4.23Å; L283-V407 HydrophobicContact CD2-CG2 4.07Å; L283-V407 HydrophobicContact CG-CG2 4.35Å
284	P	90.5	Very high	95.6	Very high	51 Å²	51	37.6 Å²	37.6	33%	0.331	21%	0.21	S	C	.	.			trans	-71	147.4	178.9	29.2	-35	0	0	0	111.2	Q403	P284-Q403 HydrophobicContact CG-CB 4.01Å
285	G	86.9	Confident	95.6	Very high	50 Å²	50	39.7 Å²	39.7	52%	0.515	22%	0.22	S	C	.	.	S	Bend	trans	168.9	174.5	177.4	0	0	0	0	0	110.3	V287	G285-V287 PolarHBondContact O-N 3.25Å
286	D	89.7	Confident	95.6	Very high	158 Å²	158	40.7 Å²	40.7	85%	0.845	23%	0.227	S	C	*	.	S	Bend	trans	-58.5	-33.5	175.3	-65	-27.9	0	0	0	111.6
287	V	90.6	Very high	95.6	Very high	131 Å²	131	41.2 Å²	41.2	79%	0.794	23%	0.232	S	C	*	.	S	Bend	trans	-123.6	98.4	168.7	-176	0	0	0	0	107.7	G285	G285-V287 PolarHBondContact O-N 3.25Å
288	P	92.6	Very high	95.6	Very high	43 Å²	43	41.7 Å²	41.7	28%	0.279	24%	0.235	S	C	.	.			trans	-62.9	142.6	-177.2	-23	33.1	0	0	0	112.7	L283 Y290	L283-P288 VanDerWaalsContact O-CA 3.31Å; L283-P288 WeakPolarHBondContact O-CA 3.12Å; L283-P288 WeakPolarHBondContact O-CB 3.33Å; P288-Y290 HydrophobicContact CB-CE2 3.84Å; P288-Y290 WeakPolarHBondContact O-CD2 3.42Å; P288-Y290 WeakPolarHBondContact O-CE2 3.37Å
289	F	93.2	Very high	95.5	Very high	105 Å²	105	45 Å²	45	46%	0.461	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.7	173.3	-177.6	-85.8	0	0	0	110.1	S282 L283 F291 T319	S282-F289 CarbonylContact C-O 3.56Å; S282-F289 WeakPolarHBondContact CA-O 3.29Å; S282-F289 WeakPolarHBondContact CB-O 3.14Å; L283-F289 HydrophobicContact CB-CB 4.28Å; L283-F289 PolarHBondContact N-O 3.4Å; L283-F289 PolarHBondContact O-N 2.77Å; F289-F291 HydrophobicContact CD1-CD2 4.4Å; F289-F291 HydrophobicContact CD1-CE1 4.44Å; F289-F291 AromaticContact CD1-CE2 3.83Å; F289-F291 HydrophobicContact CD1-CE2 3.83Å; F289-F291 AromaticContact CD1-CZ 3.85Å; F289-F291 HydrophobicContact CD1-CZ 3.85Å; F289-F291 HydrophobicContact CE1-CD1 4.38Å; F289-F291 AromaticContact CE1-CE1 3.88Å; F289-F291 HydrophobicContact CE1-CE1 3.88Å; F289-F291 HydrophobicContact CE1-CE2 4.1Å; F289-F291 AromaticContact CE1-CZ 3.71Å; F289-F291 HydrophobicContact CE1-CZ 3.71Å; F289-T319 HydrophobicContact CE1-CG2 3.85Å; F289-T319 HydrophobicContact CZ-CG2 3.75Å
290	Y	95	Very high	95.4	Very high	60 Å²	60	47 Å²	47	24%	0.235	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.6	-170.1	-65.9	-90.5	0	0	0	113.7	N280 P288 N292	N280-Y290 WeakPolarHBondContact OD1-CE1 3.31Å; P288-Y290 HydrophobicContact CB-CE2 3.84Å; P288-Y290 WeakPolarHBondContact O-CD2 3.42Å; P288-Y290 WeakPolarHBondContact O-CE2 3.37Å; Y290-N292 WeakPolarHBondContact CB-OD1 3.46Å
291	F	97.6	Very high	95.1	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.009	26%	0.257	C	S	.	.			trans	-99.8	89.4	166.4	-56.9	-94	0	0	0	108	C281 L283 F289 F317 T319 A326 A328 P404 V407	C281-F291 PolarHBondContact O-N 3.36Å; L283-F291 HydrophobicContact CD1-CE2 4.36Å; L283-F291 HydrophobicContact CG-CE2 4.23Å; F289-F291 HydrophobicContact CD1-CD2 4.4Å; F289-F291 HydrophobicContact CD1-CE1 4.44Å; F289-F291 AromaticContact CD1-CE2 3.83Å; F289-F291 HydrophobicContact CD1-CE2 3.83Å; F289-F291 AromaticContact CD1-CZ 3.85Å; F289-F291 HydrophobicContact CD1-CZ 3.85Å; F289-F291 HydrophobicContact CE1-CD1 4.38Å; F289-F291 AromaticContact CE1-CE1 3.88Å; F289-F291 HydrophobicContact CE1-CE1 3.88Å; F289-F291 HydrophobicContact CE1-CE2 4.1Å; F289-F291 AromaticContact CE1-CZ 3.71Å; F289-F291 HydrophobicContact CE1-CZ 3.71Å; F291-F317 HydrophobicContact CB-CB 3.55Å; F291-F317 WeakPolarHBondContact O-CB 3.43Å; F291-F317 VanDerWaalsContact O-CD1 3.25Å; F291-F317 WeakPolarHBondContact O-CD1 3.41Å; F291-T319 HydrophobicContact CD1-CG2 4.09Å; F291-T319 HydrophobicContact CE1-CG2 4.31Å; F291-A326 HydrophobicContact CE1-CB 3.81Å; F291-A328 HydrophobicContact CB-CB 4.01Å; F291-A328 HydrophobicContact CD1-CB 3.58Å; F291-A328 HydrophobicContact CD2-CB 3.54Å; F291-A328 HydrophobicContact CE1-CB 3.85Å; F291-A328 HydrophobicContact CE2-CB 3.84Å; F291-A328 HydrophobicContact CG-CB 3.42Å; F291-A328 VanDerWaalsContact CG-CB 3.42Å; F291-A328 HydrophobicContact CZ-CB 3.99Å; F291-P404 HydrophobicContact CD2-CG 4.33Å; F291-P404 HydrophobicContact CE2-CG 4.22Å; F291-V407 HydrophobicContact CE1-CG1 4.36Å; F291-V407 HydrophobicContact CE2-CG2 4.22Å; F291-V407 HydrophobicContact CZ-CG1 3.7Å; F291-V407 HydrophobicContact CZ-CG2 4.12Å
292	N	96.9	Very high	94.8	Very high	27 Å²	27	50 Å²	50	14%	0.144	28%	0.279	C	S	.	.			trans	-88.2	-8.3	-166.8	-70.6	-50.7	0	0	0	114.6	V249 F250 S251 R278 Y290 N318	V249-N292 WeakPolarHBondContact O-CB 3.05Å; F250-N292 CarbonylContact C-O 3.56Å; F250-N292 HydrophobicContact CD1-CB 4.24Å; S251-N292 WeakPolarHBondContact CB-O 3.3Å; S251-N292 PolarHBondContact N-O 2.92Å; S251-N292 VanDerWaalsContact OG-C 3.31Å; S251-N292 PolarHBondContact OG-O 3.47Å; R278-N292 PolarHBondContact NH2-OD1 2.88Å; Y290-N292 WeakPolarHBondContact CB-OD1 3.46Å; N292-N318 PolarHBondContact N-O 2.77Å
293	E	98.2	Very high	94.4	Very high	26 Å²	26	49.4 Å²	49.4	12%	0.121	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	89.5	-171.7	-61.7	-162.2	-163.9	0	0	113.1	R236 V249 Q295 F317 N318 P320	R236-E293 IonicContact NE-OE2 2.83Å; V249-E293 HydrophobicContact CB-CG 4.21Å; V249-E293 HydrophobicContact CG1-CG 3.86Å; E293-Q295 PolarHBondContact O-N 2.85Å; E293-Q295 PolarHBondContact O-NE2 2.85Å; E293-F317 CarbonylContact O-C 3.54Å; E293-F317 WeakPolarHBondContact O-CA 3.45Å; E293-N318 WeakPolarHBondContact CB-O 3.34Å; E293-N318 PolarHBondContact N-O 2.73Å; E293-N318 VanDerWaalsContact N-O 3.08Å; E293-N318 PolarHBondContact O-N 2.82Å; E293-P320 WeakPolarHBondContact OE1-CA 3.32Å; E293-P320 WeakPolarHBondContact OE1-CB 3.31Å
294	I	98.8	Very high	93.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	132.3	174.6	-164	175.9	0	0	0	110.5	V222 W234 F235 R236 S251 L279 A297 A315 V316 F317	V222-I294 HydrophobicContact CG1-CG2 4.43Å; V222-I294 HydrophobicContact CG2-CD1 3.83Å; V222-I294 HydrophobicContact CG2-CG1 4Å; V222-I294 HydrophobicContact CG2-CG2 3.99Å; W234-I294 HydrophobicContact CB-CD1 4.35Å; W234-I294 HydrophobicContact CE3-CD1 3.86Å; F235-I294 VanDerWaalsContact C-CG2 3.41Å; F235-I294 WeakPolarHBondContact O-CG2 3.41Å; R236-I294 HydrophobicContact CB-CG2 4.06Å; R236-I294 PolarHBondContact NH1-O 3.02Å; S251-I294 WeakPolarHBondContact OG-CB 3.49Å; S251-I294 PolarHBondContact OG-N 2.75Å; L279-I294 HydrophobicContact CD1-CD1 4.18Å; I294-A297 HydrophobicContact CD1-CB 4.35Å; I294-A315 HydrophobicContact CD1-CB 3.76Å; I294-A315 HydrophobicContact CG1-CB 4.12Å; I294-V316 CarbonylContact C-O 3.54Å; I294-V316 VanDerWaalsContact CA-O 3.26Å; I294-V316 WeakPolarHBondContact CA-O 3.35Å; I294-V316 WeakPolarHBondContact CG1-O 3.4Å; I294-F317 HydrophobicContact CB-CD1 3.86Å; I294-F317 HydrophobicContact CB-CE1 3.67Å; I294-F317 HydrophobicContact CB-CZ 4.24Å; I294-F317 HydrophobicContact CD1-CE1 4.29Å; I294-F317 HydrophobicContact CD1-CZ 4.06Å; I294-F317 HydrophobicContact CG1-CD1 4.36Å; I294-F317 HydrophobicContact CG1-CE1 4Å; I294-F317 HydrophobicContact CG1-CE2 4.49Å; I294-F317 HydrophobicContact CG1-CZ 4.04Å
295	Q	98.5	Very high	92.9	Very high	48 Å²	48	49 Å²	49	22%	0.224	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-32.5	177.3	-56.3	-55.2	-39.6	0	0	112.7	V222 R236 E293 V316 N318	V222-Q295 VanDerWaalsContact CG1-O 3.3Å; V222-Q295 WeakPolarHBondContact CG1-O 3.12Å; R236-Q295 VanDerWaalsContact NH1-NE2 3.19Å; E293-Q295 PolarHBondContact O-N 2.85Å; E293-Q295 PolarHBondContact O-NE2 2.85Å; Q295-V316 HydrophobicContact CB-CG1 4.04Å; Q295-V316 HydrophobicContact CG-CG1 4.35Å; Q295-V316 PolarHBondContact N-O 3.37Å; Q295-N318 HydrophobicContact CG-CB 4.36Å; Q295-N318 VanDerWaalsContact CG-ND2 3.31Å; Q295-N318 WeakPolarHBondContact CG-ND2 3.38Å
296	S	98.8	Very high	92	Very high	21 Å²	21	47.6 Å²	47.6	15%	0.147	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	151	-176.7	-170.6	0	0	0	0	110	A315 V316 T416 I418	S296-A315 CarbonylContact O-C 3.52Å; S296-A315 VanDerWaalsContact O-CA 3.26Å; S296-A315 WeakPolarHBondContact O-CA 3.46Å; S296-A315 WeakPolarHBondContact O-CB 3.36Å; S296-V316 PolarHBondContact O-N 2.88Å; S296-T416 WeakPolarHBondContact CB-O 3.23Å; S296-I418 PolarHBondContact OG-N 2.96Å
297	A	98.8	Very high	90.9	Very high	14 Å²	14	44.4 Å²	44.4	12%	0.116	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.2	171.5	0	0	0	0	0	109.4	A223 I294 V313 Y314 A315	A223-A297 HydrophobicContact CB-CB 3.86Å; I294-A297 HydrophobicContact CD1-CB 4.35Å; A297-V313 HydrophobicContact CB-CG1 4.05Å; A297-Y314 CarbonylContact C-O 3.49Å; A297-Y314 WeakPolarHBondContact CA-O 3.34Å; A297-A315 HydrophobicContact CB-CB 4.11Å
298	S	98.2	Very high	90.3	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.07	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-69.3	169.9	170.4	71.4	0	0	0	0	110.6	Y314	S298-Y314 PolarHBondContact N-O 2.96Å; S298-Y314 PolarHBondContact OG-N 2.7Å; S298-Y314 PolarHBondContact OG-O 3.2Å
299	E	95.6	Very high	90.1	Very high	108 Å²	108	42.6 Å²	42.6	51%	0.505	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-65.3	169.6	156.4	63.2	-156.6	170.6	0	0	110.8	V301	E299-V301 HydrophobicContact CG-CG1 4.23Å; E299-V301 PolarHBondContact O-N 3.46Å
300	V	96.5	Very high	90	Very high	45 Å²	45	38.5 Å²	38.5	27%	0.273	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-67.8	116.8	171.4	-177.6	0	0	0	0	107.7	F225 V313 M334	F225-V300 HydrophobicContact CD2-CG2 3.62Å; F225-V300 HydrophobicContact CE1-CG2 4.38Å; F225-V300 HydrophobicContact CE2-CG2 3.37Å; F225-V300 HydrophobicContact CG-CG2 4.23Å; F225-V300 HydrophobicContact CZ-CG2 3.78Å; V300-V313 HydrophobicContact CB-CG2 4.49Å; V300-V313 HydrophobicContact CG2-CG2 3.87Å; V300-M334 HydrophobicContact CG1-CG 4.08Å; V300-M334 HydrophobicContact CG2-CG 4.17Å; V300-M334 HydrophobicContact CG2-SD 4.46Å
301	V	93.5	Very high	90	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.9	177.8	-61.6	0	0	0	0	110.2	E299 S311 L312 Y314 V420	E299-V301 HydrophobicContact CG-CG1 4.23Å; E299-V301 PolarHBondContact O-N 3.46Å; V301-S311 WeakPolarHBondContact O-CA 3.37Å; V301-L312 HydrophobicContact CG2-CB 4.23Å; V301-L312 WeakPolarHBondContact CG2-O 3.22Å; V301-L312 PolarHBondContact N-O 3.21Å; V301-L312 PolarHBondContact O-N 3.11Å; V301-Y314 HydrophobicContact CG2-CD2 3.71Å; V301-Y314 HydrophobicContact CG2-CE2 3.49Å; V301-Y314 VanDerWaalsContact CG2-CE2 3.49Å; V301-V420 HydrophobicContact CG1-CB 4.19Å; V301-V420 HydrophobicContact CG1-CG1 4.33Å; V301-V420 HydrophobicContact CG2-CG1 4.36Å
302	M	92.3	Very high	90	Very high	95 Å²	95	36.5 Å²	36.5	47%	0.468	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.8	169.7	-61.8	-55.5	-63.3	0	0	108.2	P309 S311 S422 S423	M302-P309 HydrophobicContact CE-CB 3.97Å; M302-S311 PolarHBondContact SD-OG 2.65Å; M302-S422 WeakPolarHBondContact O-CB 3.37Å; M302-S422 PolarHBondContact O-OG 3.29Å; M302-S422 VanDerWaalsContact O-OG 3.07Å; M302-S423 PolarHBondContact O-OG 2.66Å
303	S	87.6	Confident	90.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.9	173.2	-178.9	0	0	0	0	109.5	P309 V310 D433	S303-P309 CarbonylContact O-C 3.58Å; S303-P309 WeakPolarHBondContact O-CA 3.44Å; S303-V310 PolarHBondContact N-O 3.37Å; S303-V310 PolarHBondContact O-N 2.87Å; S303-D433 VanDerWaalsContact CB-OD2 3.23Å; S303-D433 WeakPolarHBondContact CB-OD2 3.47Å; S303-D433 PolarHBondContact OG-OD2 2.94Å
304	D	79.9	Confident	90.1	Very high	54 Å²	54	34.1 Å²	34.1	29%	0.289	22%	0.216	S	C	.	.			trans	-114.1	15.3	177	68.5	-6	0	0	0	113.6	H306 S423 R431	D304-H306 VanDerWaalsContact C-N 3.34Å; D304-H306 PolarHBondContact O-N 2.78Å; D304-S423 WeakPolarHBondContact OD1-CB 3.27Å; D304-S423 PolarHBondContact OD1-OG 3.4Å; D304-S423 VanDerWaalsContact OD1-OG 3.08Å; D304-R431 VanDerWaalsContact OD1-CB 3.28Å; D304-R431 WeakPolarHBondContact OD1-CB 3.47Å; D304-R431 WeakPolarHBondContact OD1-CD 3.34Å; D304-R431 WeakPolarHBondContact OD2-CD 3.35Å; D304-R431 IonicContact OD2-CZ 3.33Å; D304-R431 IonicContact OD2-NE 2.63Å; D304-R431 PolarHBondContact OD2-NE 3.26Å; D304-R431 IonicContact OD2-NH1 2.78Å; D304-R431 PolarHBondContact OD2-NH1 3.46Å
305	Q	70.9	Confident	90.1	Very high	24 Å²	24	34.1 Å²	34.1	11%	0.112	22%	0.216	C	C	.	.	S	Bend	trans	-75.9	-18.7	-179.4	-61.3	-165.4	62.2	0	0	114.5	R431 D433	Q305-R431 VanDerWaalsContact CG-O 3.25Å; Q305-R431 WeakPolarHBondContact CG-O 3.33Å; Q305-R431 PolarHBondContact OE1-O 2.88Å; Q305-D433 PolarHBondContact NE2-OD2 2.89Å
306	H	68.2	Low	90.1	Very high	20 Å²	20	31.9 Å²	31.9	9%	0.093	21%	0.206	C	C	.	.	S	Bend	trans	-111.2	39.9	-159.7	-54.2	-65.1	0	0	0	113.5	D304 G308 V310 Y400 F401 D453	D304-H306 VanDerWaalsContact C-N 3.34Å; D304-H306 PolarHBondContact O-N 2.78Å; H306-G308 PolarHBondContact O-N 3.2Å; H306-V310 HydrophobicContact CB-CG2 4.5Å; H306-Y400 WeakPolarHBondContact CB-OH 3.47Å; H306-Y400 AromaticContact CD2-CE1 3.74Å; H306-Y400 AromaticContact CG-CE1 3.87Å; H306-Y400 AromaticContact NE2-CE1 3.93Å; H306-F401 AromaticContact CE1-CE1 3.52Å; H306-F401 AromaticContact CE1-CZ 3.78Å; H306-F401 AromaticContact NE2-CE1 3.98Å; H306-F401 AromaticContact NE2-CZ 3.78Å; H306-D453 PolarHBondContact CE1-O 2.95Å; H306-D453 VanDerWaalsContact CE1-O 3.29Å; H306-D453 PolarHBondContact ND1-O 2.71Å
307	G	67.4	Low	90.1	Very high	91 Å²	91	30.9 Å²	30.9	94%	0.938	20%	0.199	S	C	*	.	S	Bend	trans	78.2	3.1	179.2	0	0	0	0	0	114.9
308	G	78.6	Confident	90.1	Very high	28 Å²	28	30.5 Å²	30.5	29%	0.289	20%	0.195	S	C	.	.	S	Bend	trans	174.6	170.6	177.6	0	0	0	0	0	111	H306 V310	H306-G308 PolarHBondContact O-N 3.2Å; G308-V310 PolarHBondContact O-N 3.37Å
309	P	87.2	Confident	90	Very high	107 Å²	107	30.2 Å²	30.2	70%	0.695	19%	0.193	S	C	*	.			trans	-69.1	123.8	176.2	28.5	-32.8	0	0	0	110.4	M302 S303	M302-P309 HydrophobicContact CE-CB 3.97Å; S303-P309 CarbonylContact O-C 3.58Å; S303-P309 WeakPolarHBondContact O-CA 3.44Å
310	V	92.2	Very high	89.8	Confident	20 Å²	20	27.1 Å²	27.1	12%	0.121	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.8	176.7	-176.7	0	0	0	0	109.5	S303 H306 G308 L312 Y400	S303-V310 PolarHBondContact N-O 3.37Å; S303-V310 PolarHBondContact O-N 2.87Å; H306-V310 HydrophobicContact CB-CG2 4.5Å; G308-V310 PolarHBondContact O-N 3.37Å; V310-L312 HydrophobicContact CB-CG 4.49Å; V310-L312 HydrophobicContact CG1-CD2 3.63Å; V310-L312 HydrophobicContact CG1-CG 3.95Å; V310-Y400 HydrophobicContact CG1-CE2 3.96Å
311	S	95.4	Very high	89.1	Confident	20 Å²	20	29.8 Å²	29.8	14%	0.14	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	106.5	176.1	-58.3	0	0	0	0	110.1	V301 M302 N333 M334	V301-S311 WeakPolarHBondContact O-CA 3.37Å; M302-S311 PolarHBondContact SD-OG 2.65Å; S311-N333 PolarHBondContact O-OD1 2.74Å; S311-M334 PolarHBondContact O-N 2.79Å
312	L	96.3	Very high	88.6	Confident	0 Å²	0	35 Å²	35	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.9	-176.1	-63.5	-179.8	0	0	0	112	V301 V310 Y314 F332 N333 Y400	V301-L312 HydrophobicContact CG2-CB 4.23Å; V301-L312 WeakPolarHBondContact CG2-O 3.22Å; V301-L312 PolarHBondContact N-O 3.21Å; V301-L312 PolarHBondContact O-N 3.11Å; V310-L312 HydrophobicContact CB-CG 4.49Å; V310-L312 HydrophobicContact CG1-CD2 3.63Å; V310-L312 HydrophobicContact CG1-CG 3.95Å; L312-Y314 HydrophobicContact CB-CD2 4.42Å; L312-Y314 HydrophobicContact CB-CE2 3.9Å; L312-Y314 HydrophobicContact CD1-CE2 4.19Å; L312-Y314 WeakPolarHBondContact CD1-OH 3.4Å; L312-F332 CarbonylContact C-O 3.55Å; L312-F332 WeakPolarHBondContact CA-O 3.29Å; L312-N333 HydrophobicContact CD2-CB 4.12Å; L312-Y400 HydrophobicContact CD1-CD1 4.2Å; L312-Y400 HydrophobicContact CD1-CE1 4.3Å; L312-Y400 HydrophobicContact CD2-CD1 4.02Å; L312-Y400 HydrophobicContact CD2-CD2 3.89Å; L312-Y400 HydrophobicContact CD2-CE1 4.41Å; L312-Y400 HydrophobicContact CD2-CE2 4.27Å; L312-Y400 HydrophobicContact CD2-CG 3.73Å
313	V	98.5	Very high	88.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.1	165	176.5	0	0	0	0	107.7	F225 W234 A297 V300 A331 F332 M334	F225-V313 HydrophobicContact CE1-CG2 4.24Å; F225-V313 HydrophobicContact CE2-CG2 4.47Å; F225-V313 HydrophobicContact CZ-CG2 3.68Å; W234-V313 HydrophobicContact CH2-CB 4.06Å; W234-V313 HydrophobicContact CH2-CG1 3.97Å; W234-V313 HydrophobicContact CZ2-CB 4.07Å; W234-V313 HydrophobicContact CZ2-CG1 3.96Å; W234-V313 HydrophobicContact CZ2-CG2 4.15Å; W234-V313 HydrophobicContact CZ3-CG1 4.23Å; A297-V313 HydrophobicContact CB-CG1 4.05Å; V300-V313 HydrophobicContact CB-CG2 4.49Å; V300-V313 HydrophobicContact CG2-CG2 3.87Å; V313-A331 CarbonylContact O-C 3.55Å; V313-A331 WeakPolarHBondContact O-CA 3.36Å; V313-F332 PolarHBondContact N-O 2.92Å; V313-F332 PolarHBondContact O-N 3.18Å; V313-M334 HydrophobicContact CG2-CG 4.09Å; V313-M334 HydrophobicContact CG2-SD 3.62Å
314	Y	98.7	Very high	88.2	Confident	3 Å²	3	40.4 Å²	40.4	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.2	174.2	-66.1	-97.7	0	0	0	109	A297 S298 V301 L312 C330 A331 F401 L405 V420 D433 L435	A297-Y314 CarbonylContact C-O 3.49Å; A297-Y314 WeakPolarHBondContact CA-O 3.34Å; S298-Y314 PolarHBondContact N-O 2.96Å; S298-Y314 PolarHBondContact OG-N 2.7Å; S298-Y314 PolarHBondContact OG-O 3.2Å; V301-Y314 HydrophobicContact CG2-CD2 3.71Å; V301-Y314 HydrophobicContact CG2-CE2 3.49Å; V301-Y314 VanDerWaalsContact CG2-CE2 3.49Å; L312-Y314 HydrophobicContact CB-CD2 4.42Å; L312-Y314 HydrophobicContact CB-CE2 3.9Å; L312-Y314 HydrophobicContact CD1-CE2 4.19Å; L312-Y314 WeakPolarHBondContact CD1-OH 3.4Å; Y314-C330 CarbonylContact C-O 3.54Å; Y314-C330 WeakPolarHBondContact CA-O 3.32Å; Y314-A331 HydrophobicContact CD1-CB 3.82Å; Y314-A331 HydrophobicContact CE1-CB 3.82Å; Y314-A331 HydrophobicContact CG-CB 4.38Å; Y314-F401 HydrophobicContact CE1-CE2 4.4Å; Y314-L405 HydrophobicContact CD1-CD1 3.89Å; Y314-L405 HydrophobicContact CE1-CD1 3.49Å; Y314-L405 VanDerWaalsContact CE1-CD1 3.49Å; Y314-V420 HydrophobicContact CD2-CG1 4.3Å; Y314-V420 HydrophobicContact CD2-CG2 3.85Å; Y314-V420 HydrophobicContact CE2-CG1 4.29Å; Y314-V420 HydrophobicContact CG-CG2 4.02Å; Y314-D433 PolarHBondContact OH-OD2 3.31Å; Y314-D433 VanDerWaalsContact OH-OD2 3.11Å; Y314-L435 HydrophobicContact CD1-CD2 3.61Å; Y314-L435 HydrophobicContact CD1-CG 4.27Å; Y314-L435 HydrophobicContact CE1-CD1 4.35Å; Y314-L435 HydrophobicContact CE1-CD2 3.93Å; Y314-L435 HydrophobicContact CE1-CG 4.4Å; Y314-L435 HydrophobicContact CG-CD2 4.4Å
315	A	98.9	Very high	88.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.3	-177.5	0	0	0	0	0	111.9	I294 S296 A297 F317 V329 C330 F332	I294-A315 HydrophobicContact CD1-CB 3.76Å; I294-A315 HydrophobicContact CG1-CB 4.12Å; S296-A315 CarbonylContact O-C 3.52Å; S296-A315 VanDerWaalsContact O-CA 3.26Å; S296-A315 WeakPolarHBondContact O-CA 3.46Å; S296-A315 WeakPolarHBondContact O-CB 3.36Å; A297-A315 HydrophobicContact CB-CB 4.11Å; A315-F317 HydrophobicContact CB-CD2 4.34Å; A315-F317 HydrophobicContact CB-CE2 3.44Å; A315-F317 VanDerWaalsContact CB-CE2 3.44Å; A315-F317 HydrophobicContact CB-CZ 3.85Å; A315-F317 WeakPolarHBondContact O-CD2 3.49Å; A315-F317 WeakPolarHBondContact O-CE2 3.44Å; A315-V329 WeakPolarHBondContact O-CA 3.49Å; A315-C330 PolarHBondContact N-O 2.87Å; A315-C330 PolarHBondContact O-N 3.2Å; A315-F332 HydrophobicContact CB-CE2 4.24Å
316	V	98.9	Very high	89.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.5	176.6	166.2	0	0	0	0	108.8	I294 Q295 S296 A328 V329 F415 I418 V437	I294-V316 CarbonylContact C-O 3.54Å; I294-V316 VanDerWaalsContact CA-O 3.26Å; I294-V316 WeakPolarHBondContact CA-O 3.35Å; I294-V316 WeakPolarHBondContact CG1-O 3.4Å; Q295-V316 HydrophobicContact CB-CG1 4.04Å; Q295-V316 HydrophobicContact CG-CG1 4.35Å; Q295-V316 PolarHBondContact N-O 3.37Å; S296-V316 PolarHBondContact O-N 2.88Å; V316-A328 WeakPolarHBondContact CA-O 3.31Å; V316-V329 HydrophobicContact CG2-CG2 4.21Å; V316-F415 HydrophobicContact CB-CB 4.45Å; V316-F415 HydrophobicContact CG1-CB 3.3Å; V316-F415 HydrophobicContact CG1-CG 4.43Å; V316-F415 HydrophobicContact CG2-CB 4.3Å; V316-I418 HydrophobicContact CG2-CB 3.85Å; V316-I418 HydrophobicContact CG2-CD1 4.37Å; V316-I418 HydrophobicContact CG2-CG2 4.31Å; V316-V437 HydrophobicContact CG2-CG1 4.32Å
317	F	98.8	Very high	91.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.1	177.6	-61.7	-101.5	0	0	0	110.6	L279 C281 F291 E293 I294 A315 S327 A328 C330 F332	L279-F317 HydrophobicContact CB-CE1 4.3Å; L279-F317 HydrophobicContact CB-CZ 4.39Å; L279-F317 HydrophobicContact CD1-CE1 4.49Å; L279-F317 HydrophobicContact CD1-CZ 4.37Å; C281-F317 HydrophobicContact CB-CB 4.46Å; C281-F317 HydrophobicContact CB-CD1 4.02Å; C281-F317 HydrophobicContact CB-CD2 3.79Å; C281-F317 HydrophobicContact CB-CE1 4.19Å; C281-F317 HydrophobicContact CB-CE2 3.99Å; C281-F317 HydrophobicContact CB-CG 3.83Å; C281-F317 HydrophobicContact CB-CZ 4.2Å; C281-F317 WeakPolarHBondContact SG-CD2 2.97Å; F291-F317 HydrophobicContact CB-CB 3.55Å; F291-F317 WeakPolarHBondContact O-CB 3.43Å; F291-F317 VanDerWaalsContact O-CD1 3.25Å; F291-F317 WeakPolarHBondContact O-CD1 3.41Å; E293-F317 CarbonylContact O-C 3.54Å; E293-F317 WeakPolarHBondContact O-CA 3.45Å; I294-F317 HydrophobicContact CB-CD1 3.86Å; I294-F317 HydrophobicContact CB-CE1 3.67Å; I294-F317 HydrophobicContact CB-CZ 4.24Å; I294-F317 HydrophobicContact CD1-CE1 4.29Å; I294-F317 HydrophobicContact CD1-CZ 4.06Å; I294-F317 HydrophobicContact CG1-CD1 4.36Å; I294-F317 HydrophobicContact CG1-CE1 4Å; I294-F317 HydrophobicContact CG1-CE2 4.49Å; I294-F317 HydrophobicContact CG1-CZ 4.04Å; A315-F317 HydrophobicContact CB-CD2 4.34Å; A315-F317 HydrophobicContact CB-CE2 3.44Å; A315-F317 VanDerWaalsContact CB-CE2 3.44Å; A315-F317 HydrophobicContact CB-CZ 3.85Å; A315-F317 WeakPolarHBondContact O-CD2 3.49Å; A315-F317 WeakPolarHBondContact O-CE2 3.44Å; F317-S327 CarbonylContact O-C 3.49Å; F317-S327 VanDerWaalsContact O-CA 3.31Å; F317-S327 WeakPolarHBondContact O-CA 3.36Å; F317-A328 PolarHBondContact N-O 3.32Å; F317-A328 PolarHBondContact O-N 2.98Å; F317-C330 HydrophobicContact CD2-CB 4.22Å; F317-C330 HydrophobicContact CE2-CB 3.93Å; F317-F332 AromaticContact CE2-CE2 3.59Å; F317-F332 HydrophobicContact CE2-CE2 3.59Å; F317-F332 AromaticContact CE2-CZ 3.96Å; F317-F332 HydrophobicContact CE2-CZ 3.96Å; F317-F332 AromaticContact CZ-CE2 3.43Å; F317-F332 HydrophobicContact CZ-CE2 3.43Å; F317-F332 VanDerWaalsContact CZ-CE2 3.43Å; F317-F332 AromaticContact CZ-CZ 3.59Å; F317-F332 HydrophobicContact CZ-CZ 3.59Å
318	N	98.3	Very high	92.8	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.032	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	163.5	173.3	-66.3	-10.3	0	0	0	110.8	N292 E293 Q295 A326 S327 F415	N292-N318 PolarHBondContact N-O 2.77Å; E293-N318 WeakPolarHBondContact CB-O 3.34Å; E293-N318 PolarHBondContact N-O 2.73Å; E293-N318 VanDerWaalsContact N-O 3.08Å; E293-N318 PolarHBondContact O-N 2.82Å; Q295-N318 HydrophobicContact CG-CB 4.36Å; Q295-N318 VanDerWaalsContact CG-ND2 3.31Å; Q295-N318 WeakPolarHBondContact CG-ND2 3.38Å; N318-A326 WeakPolarHBondContact CA-O 3.3Å; N318-S327 WeakPolarHBondContact OD1-CB 3.49Å; N318-S327 PolarHBondContact OD1-OG 2.81Å; N318-F415 PolarHBondContact ND2-O 3.47Å; N318-F415 VanDerWaalsContact ND2-O 3.14Å; N318-F415 PolarHBondContact OD1-O 2.58Å
319	T	96.4	Very high	93.8	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.031	22%	0.221	C	C	.	.			trans	-74.7	160.4	158.2	54.3	0	0	0	0	110.7	F289 F291 L324 A326	F289-T319 HydrophobicContact CE1-CG2 3.85Å; F289-T319 HydrophobicContact CZ-CG2 3.75Å; F291-T319 HydrophobicContact CD1-CG2 4.09Å; F291-T319 HydrophobicContact CE1-CG2 4.31Å; T319-L324 WeakPolarHBondContact CB-O 3.23Å; T319-L324 PolarHBondContact OG1-O 3.44Å; T319-A326 HydrophobicContact CG2-CB 3.86Å; T319-A326 PolarHBondContact N-O 3.04Å; T319-A326 PolarHBondContact OG1-N 3.47Å; T319-A326 PolarHBondContact OG1-O 3.45Å
320	P	90.9	Very high	94.3	Very high	42 Å²	42	31.8 Å²	31.8	27%	0.273	19%	0.188	S	C	.	.			trans	-56.7	146.9	173.5	-24.4	34.2	0	0	0	112.7	E293 S322 A323	E293-P320 WeakPolarHBondContact OE1-CA 3.32Å; E293-P320 WeakPolarHBondContact OE1-CB 3.31Å; P320-S322 PolarHBondContact O-N 3.28Å; P320-S322 VanDerWaalsContact O-N 3.15Å; P320-A323 HydrophobicContact CB-CB 4.39Å; P320-A323 WeakPolarHBondContact O-CB 3.26Å; P320-A323 PolarHBondContact O-N 3.35Å
321	S	82.8	Confident	94.6	Very high	102 Å²	102	30.8 Å²	30.8	71%	0.713	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.4	179.9	58.4	0	0	0	0	114.2
322	S	82.6	Confident	94.7	Very high	118 Å²	118	29.9 Å²	29.9	83%	0.825	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.5	174.8	56.7	0	0	0	0	114	P320	P320-S322 PolarHBondContact O-N 3.28Å; P320-S322 VanDerWaalsContact O-N 3.15Å
323	A	82.7	Confident	94.8	Very high	49 Å²	49	30.4 Å²	30.4	41%	0.405	18%	0.178	S	C	.	.	S	Bend	trans	-99.1	-179.7	177.9	0	0	0	0	0	111.3	P320 R325	P320-A323 HydrophobicContact CB-CB 4.39Å; P320-A323 WeakPolarHBondContact O-CB 3.26Å; P320-A323 PolarHBondContact O-N 3.35Å; A323-R325 PolarHBondContact O-N 2.85Å
324	L	87.9	Confident	94.7	Very high	160 Å²	160	30.4 Å²	30.4	84%	0.838	18%	0.178	S	C	*	.			trans	-58.6	125.7	166.6	-68	173.7	0	0	0	109	T319 A326	T319-L324 WeakPolarHBondContact CB-O 3.23Å; T319-L324 PolarHBondContact OG1-O 3.44Å; L324-A326 PolarHBondContact O-N 3.14Å
325	R	91.6	Very high	94.6	Very high	137 Å²	137	34.2 Å²	34.2	52%	0.517	20%	0.199	S	C	.	.			trans	-67.1	115.9	-177.8	-67.4	-177.5	-179.6	-174.3	-2.4	109.8	A323 Q414	A323-R325 PolarHBondContact O-N 2.85Å; R325-Q414 HydrophobicContact CB-CG 4.43Å
326	A	95.8	Very high	94.6	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.041	21%	0.21	C	C	.	.			trans	-144.8	154.7	172.7	0	0	0	0	0	110	F291 N318 T319 L324 D408 T409	F291-A326 HydrophobicContact CE1-CB 3.81Å; N318-A326 WeakPolarHBondContact CA-O 3.3Å; T319-A326 HydrophobicContact CG2-CB 3.86Å; T319-A326 PolarHBondContact N-O 3.04Å; T319-A326 PolarHBondContact OG1-N 3.47Å; T319-A326 PolarHBondContact OG1-O 3.45Å; L324-A326 PolarHBondContact O-N 3.14Å; A326-D408 CarbonylContact C-O 3.6Å; A326-D408 WeakPolarHBondContact CA-O 3.21Å; A326-D408 WeakPolarHBondContact CB-O 3.08Å; A326-T409 HydrophobicContact CB-CG2 4.01Å
327	S	98.3	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.7	-179.7	-47	0	0	0	0	110.1	F317 N318 V407 D408 Q414 F415	F317-S327 CarbonylContact O-C 3.49Å; F317-S327 VanDerWaalsContact O-CA 3.31Å; F317-S327 WeakPolarHBondContact O-CA 3.36Å; N318-S327 WeakPolarHBondContact OD1-CB 3.49Å; N318-S327 PolarHBondContact OD1-OG 2.81Å; S327-V407 WeakPolarHBondContact O-CA 3.45Å; S327-D408 PolarHBondContact N-O 2.89Å; S327-D408 PolarHBondContact O-N 3.36Å; S327-Q414 WeakPolarHBondContact OG-CA 3.22Å; S327-F415 VanDerWaalsContact CB-CG 3.44Å; S327-F415 PolarHBondContact OG-N 3.06Å
328	A	98.6	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.5	177.7	0	0	0	0	0	111.5	F291 V316 F317 P404 I406 V407	F291-A328 HydrophobicContact CB-CB 4.01Å; F291-A328 HydrophobicContact CD1-CB 3.58Å; F291-A328 HydrophobicContact CD2-CB 3.54Å; F291-A328 HydrophobicContact CE1-CB 3.85Å; F291-A328 HydrophobicContact CE2-CB 3.84Å; F291-A328 HydrophobicContact CG-CB 3.42Å; F291-A328 VanDerWaalsContact CG-CB 3.42Å; F291-A328 HydrophobicContact CZ-CB 3.99Å; V316-A328 WeakPolarHBondContact CA-O 3.31Å; F317-A328 PolarHBondContact N-O 3.32Å; F317-A328 PolarHBondContact O-N 2.98Å; A328-P404 HydrophobicContact CB-CB 4.08Å; A328-P404 HydrophobicContact CB-CG 4.36Å; A328-I406 CarbonylContact C-O 3.55Å; A328-I406 WeakPolarHBondContact CA-O 3.23Å; A328-V407 HydrophobicContact CB-CG2 4.48Å
329	V	98.7	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.7	168.4	-179	0	0	0	0	108.9	A315 V316 P404 L405 I406 F415 I418 L435 V437	A315-V329 WeakPolarHBondContact O-CA 3.49Å; V316-V329 HydrophobicContact CG2-CG2 4.21Å; V329-P404 CarbonylContact O-C 3.56Å; V329-P404 WeakPolarHBondContact O-CA 3.19Å; V329-L405 PolarHBondContact O-N 3.41Å; V329-I406 HydrophobicContact CB-CB 4.08Å; V329-I406 HydrophobicContact CB-CD1 3.83Å; V329-I406 HydrophobicContact CB-CG1 4.41Å; V329-I406 HydrophobicContact CG1-CD1 4.35Å; V329-I406 HydrophobicContact CG2-CB 4.18Å; V329-I406 HydrophobicContact CG2-CD1 3.76Å; V329-I406 PolarHBondContact N-O 2.78Å; V329-F415 HydrophobicContact CG2-CD2 4.07Å; V329-F415 HydrophobicContact CG2-CE2 4.11Å; V329-I418 HydrophobicContact CG1-CD1 3.75Å; V329-L435 HydrophobicContact CG1-CD2 3.91Å; V329-V437 HydrophobicContact CG2-CG2 3.94Å
330	C	98.6	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	155.6	177.3	-73.7	0	0	0	0	109.9	C281 Y314 A315 F317 F332 N399	C281-C330 WeakPolarHBondContact CA-SG 3.48Å; C281-C330 HydrophobicContact CB-CB 3.78Å; C281-C330 WeakPolarHBondContact CB-SG 3.31Å; C281-C330 WeakPolarHBondContact SG-CB 3.21Å; C281-C330 CovalentContact SG-SG 2.03Å; C281-C330 PolarHBondContact SG-SG 3.41Å; Y314-C330 CarbonylContact C-O 3.54Å; Y314-C330 WeakPolarHBondContact CA-O 3.32Å; A315-C330 PolarHBondContact N-O 2.87Å; A315-C330 PolarHBondContact O-N 3.2Å; F317-C330 HydrophobicContact CD2-CB 4.22Å; F317-C330 HydrophobicContact CE2-CB 3.93Å; C330-F332 HydrophobicContact CB-CE2 3.99Å; C330-F332 HydrophobicContact CB-CZ 4.01Å; C330-N399 PolarHBondContact SG-ND2 3.44Å
331	A	97.9	Very high	94.9	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.3	173.7	0	0	0	0	0	109.9	V313 Y314 N399 Y400 F401	V313-A331 CarbonylContact O-C 3.55Å; V313-A331 WeakPolarHBondContact O-CA 3.36Å; Y314-A331 HydrophobicContact CD1-CB 3.82Å; Y314-A331 HydrophobicContact CE1-CB 3.82Å; Y314-A331 HydrophobicContact CG-CB 4.38Å; A331-N399 PolarHBondContact O-OD1 2.85Å; A331-N399 VanDerWaalsContact O-OD1 3.11Å; A331-Y400 WeakPolarHBondContact O-CB 3.23Å; A331-Y400 PolarHBondContact O-N 2.68Å; A331-F401 HydrophobicContact CB-CD2 3.85Å; A331-F401 HydrophobicContact CB-CE2 3.53Å
332	F	98.3	Very high	95.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.4	179.9	-60.4	-82.4	0	0	0	109.6	W234 L279 C281 L312 V313 A315 F317 C330 V397 P398	W234-F332 HydrophobicContact CH2-CB 3.8Å; W234-F332 AromaticContact CH2-CD2 3.89Å; W234-F332 HydrophobicContact CH2-CD2 3.89Å; W234-F332 AromaticContact CH2-CG 3.96Å; W234-F332 HydrophobicContact CH2-CG 3.96Å; W234-F332 HydrophobicContact CZ3-CB 4.43Å; W234-F332 AromaticContact CZ3-CD2 3.64Å; W234-F332 HydrophobicContact CZ3-CD2 3.64Å; W234-F332 HydrophobicContact CZ3-CE2 4.17Å; W234-F332 HydrophobicContact CZ3-CG 4.1Å; L279-F332 HydrophobicContact CB-CE1 4.05Å; L279-F332 HydrophobicContact CB-CZ 3.92Å; L279-F332 HydrophobicContact CD2-CD1 3.95Å; L279-F332 HydrophobicContact CD2-CD2 4.43Å; L279-F332 HydrophobicContact CD2-CE1 3.97Å; L279-F332 HydrophobicContact CD2-CE2 4.45Å; L279-F332 HydrophobicContact CD2-CG 4.18Å; L279-F332 HydrophobicContact CD2-CZ 4.23Å; C281-F332 HydrophobicContact CB-CZ 4.49Å; L312-F332 CarbonylContact C-O 3.55Å; L312-F332 WeakPolarHBondContact CA-O 3.29Å; V313-F332 PolarHBondContact N-O 2.92Å; V313-F332 PolarHBondContact O-N 3.18Å; A315-F332 HydrophobicContact CB-CE2 4.24Å; F317-F332 AromaticContact CE2-CE2 3.59Å; F317-F332 HydrophobicContact CE2-CE2 3.59Å; F317-F332 AromaticContact CE2-CZ 3.96Å; F317-F332 HydrophobicContact CE2-CZ 3.96Å; F317-F332 AromaticContact CZ-CE2 3.43Å; F317-F332 HydrophobicContact CZ-CE2 3.43Å; F317-F332 VanDerWaalsContact CZ-CE2 3.43Å; F317-F332 AromaticContact CZ-CZ 3.59Å; F317-F332 HydrophobicContact CZ-CZ 3.59Å; C330-F332 HydrophobicContact CB-CE2 3.99Å; C330-F332 HydrophobicContact CB-CZ 4.01Å; F332-V397 HydrophobicContact CB-CG1 4.39Å; F332-V397 HydrophobicContact CD1-CB 4.19Å; F332-V397 HydrophobicContact CD1-CG1 3.76Å; F332-V397 HydrophobicContact CG-CG1 4.48Å; F332-P398 WeakPolarHBondContact CD1-O 3.43Å
333	N	96.8	Very high	96.1	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.059	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.5	175.2	179.4	9.2	0	0	0	110.2	S311 L312 D335 D336 V337 Y400	S311-N333 PolarHBondContact O-OD1 2.74Å; L312-N333 HydrophobicContact CD2-CB 4.12Å; N333-D335 PolarHBondContact O-N 2.85Å; N333-D335 PolarHBondContact OD1-N 2.77Å; N333-D336 HydrophobicContact CB-CB 4.32Å; N333-D336 WeakPolarHBondContact CB-OD2 3.32Å; N333-D336 PolarHBondContact O-N 2.81Å; N333-D336 VanDerWaalsContact O-N 3.09Å; N333-V337 WeakPolarHBondContact O-CG2 3.47Å; N333-V337 PolarHBondContact O-N 3.18Å; N333-V337 VanDerWaalsContact O-N 3.07Å; N333-Y400 HydrophobicContact CB-CD2 3.84Å; N333-Y400 HydrophobicContact CB-CE2 4.47Å
334	M	97.5	Very high	96.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-23.9	179.4	-68.9	-55.8	-58.9	0	0	112.9	F225 E227 Y232 W234 V300 S311 V313 V337 R338	F225-M334 HydrophobicContact CE2-CE 3.85Å; F225-M334 HydrophobicContact CE2-SD 4.16Å; F225-M334 HydrophobicContact CZ-CE 4.46Å; F225-M334 HydrophobicContact CZ-SD 4.27Å; E227-M334 WeakPolarHBondContact OE2-CE 3.37Å; Y232-M334 HydrophobicContact CD1-CE 4.44Å; Y232-M334 HydrophobicContact CD2-CE 4.29Å; Y232-M334 HydrophobicContact CE1-CE 4.42Å; Y232-M334 HydrophobicContact CE2-CE 4.3Å; Y232-M334 HydrophobicContact CG-CE 4.36Å; W234-M334 HydrophobicContact CZ2-SD 4.19Å; V300-M334 HydrophobicContact CG1-CG 4.08Å; V300-M334 HydrophobicContact CG2-CG 4.17Å; V300-M334 HydrophobicContact CG2-SD 4.46Å; S311-M334 PolarHBondContact O-N 2.79Å; V313-M334 HydrophobicContact CG2-CG 4.09Å; V313-M334 HydrophobicContact CG2-SD 3.62Å; M334-V337 HydrophobicContact CE-CB 4.33Å; M334-V337 HydrophobicContact CE-CG1 4.19Å; M334-V337 HydrophobicContact SD-CB 4.42Å; M334-V337 HydrophobicContact SD-CG2 4.17Å; M334-R338 WeakPolarHBondContact O-CG 3.47Å; M334-R338 PolarHBondContact O-N 3.37Å
335	D	96.3	Very high	97.2	Very high	84 Å²	84	27.6 Å²	27.6	45%	0.449	14%	0.143	S	C	.	.	H	α-helix	trans	-65	-41.3	169.5	-71.4	-48.3	0	0	0	112.2	N333 R338 S339	N333-D335 PolarHBondContact O-N 2.85Å; N333-D335 PolarHBondContact OD1-N 2.77Å; D335-R338 PolarHBondContact O-N 3.01Å; D335-R338 IonicContact OD1-CZ 2.96Å; D335-R338 IonicContact OD1-NE 2.67Å; D335-R338 IonicContact OD1-NH2 3.95Å; D335-R338 PolarHBondContact OD1-NH2 3.24Å; D335-S339 WeakPolarHBondContact O-CB 3.48Å; D335-S339 PolarHBondContact O-N 3.21Å
336	D	98.1	Very high	97.5	Very high	43 Å²	43	21 Å²	21	23%	0.23	12%	0.118	C	C	.	.	H	α-helix	trans	-68.4	-39.7	177.9	-64.5	-27	0	0	0	110.5	N333 R338 S339 I340 V397 P398	N333-D336 HydrophobicContact CB-CB 4.32Å; N333-D336 WeakPolarHBondContact CB-OD2 3.32Å; N333-D336 PolarHBondContact O-N 2.81Å; N333-D336 VanDerWaalsContact O-N 3.09Å; D336-R338 PolarHBondContact O-N 2.03Å; D336-S339 PolarHBondContact O-N 2.89Å; D336-I340 WeakPolarHBondContact O-CG1 3.25Å; D336-I340 PolarHBondContact O-N 2.83Å; D336-V397 HydrophobicContact CB-CG1 4.48Å; D336-P398 HydrophobicContact CB-CG 4.46Å
337	V	98.6	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.3	-48.4	172.7	175	0	0	0	0	110.5	Y232 V253 N333 M334 F341 V397	Y232-V337 HydrophobicContact CD1-CG1 4.14Å; Y232-V337 HydrophobicContact CE1-CG1 3.81Å; V253-V337 HydrophobicContact CG1-CG1 4.17Å; V253-V337 HydrophobicContact CG2-CG1 4.15Å; N333-V337 WeakPolarHBondContact O-CG2 3.47Å; N333-V337 PolarHBondContact O-N 3.18Å; N333-V337 VanDerWaalsContact O-N 3.07Å; M334-V337 HydrophobicContact CE-CB 4.33Å; M334-V337 HydrophobicContact CE-CG1 4.19Å; M334-V337 HydrophobicContact SD-CB 4.42Å; M334-V337 HydrophobicContact SD-CG2 4.17Å; V337-F341 HydrophobicContact CG1-CD2 4.17Å; V337-F341 HydrophobicContact CG1-CE2 3.76Å; V337-F341 WeakPolarHBondContact O-CD2 3.47Å; V337-F341 PolarHBondContact O-N 2.97Å; V337-V397 HydrophobicContact CG2-CG1 3.69Å; V337-V397 HydrophobicContact CG2-CG2 4.23Å
338	R	97.9	Very high	97.2	Very high	21 Å²	21	23.4 Å²	23.4	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-50.2	177.5	-77.8	-175.2	-69.4	-90.9	8.8	112	E227 M334 D335 D336 I340 F341 E342	E227-R338 IonicContact OE1-CZ 2.9Å; E227-R338 IonicContact OE1-NH1 2.71Å; E227-R338 PolarHBondContact OE1-NH1 3.11Å; E227-R338 IonicContact OE2-NH1 3.27Å; E227-R338 PolarHBondContact OE2-NH1 2.75Å; M334-R338 WeakPolarHBondContact O-CG 3.47Å; M334-R338 PolarHBondContact O-N 3.37Å; D335-R338 PolarHBondContact O-N 3.01Å; D335-R338 IonicContact OD1-CZ 2.96Å; D335-R338 IonicContact OD1-NE 2.67Å; D335-R338 IonicContact OD1-NH2 3.95Å; D335-R338 PolarHBondContact OD1-NH2 3.24Å; D336-R338 PolarHBondContact O-N 2.03Å; R338-I340 VanDerWaalsContact C-N 3.25Å; R338-I340 PolarHBondContact O-N 2.88Å; R338-F341 PolarHBondContact O-N 3.41Å; R338-E342 WeakPolarHBondContact O-CB 3.3Å; R338-E342 WeakPolarHBondContact O-CG 3.33Å; R338-E342 PolarHBondContact O-N 2.88Å
339	S	97.7	Very high	96.8	Very high	55 Å²	55	25.4 Å²	25.4	39%	0.385	14%	0.14	S	C	.	.	H	α-helix	trans	-55.7	-41.4	-178.7	175.5	0	0	0	0	111.8	D335 D336 F341 E342 T343	D335-S339 WeakPolarHBondContact O-CB 3.48Å; D335-S339 PolarHBondContact O-N 3.21Å; D336-S339 PolarHBondContact O-N 2.89Å; S339-F341 PolarHBondContact O-N 2.98Å; S339-E342 PolarHBondContact O-N 3.25Å; S339-T343 PolarHBondContact O-N 3.46Å; S339-T343 PolarHBondContact O-OG1 2.91Å; S339-T343 PolarHBondContact OG-OG1 3.5Å
340	I	98	Very high	96.1	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.072	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-44.9	177.3	-79.4	166.6	0	0	0	112.1	A277 D336 R338 G344 M393 D395 V397	A277-I340 HydrophobicContact CB-CG2 3.75Å; D336-I340 WeakPolarHBondContact O-CG1 3.25Å; D336-I340 PolarHBondContact O-N 2.83Å; R338-I340 VanDerWaalsContact C-N 3.25Å; R338-I340 PolarHBondContact O-N 2.88Å; I340-G344 VanDerWaalsContact O-CA 3.22Å; I340-G344 WeakPolarHBondContact O-CA 3.14Å; I340-G344 PolarHBondContact O-N 2.93Å; I340-M393 HydrophobicContact CG2-CB 4Å; I340-M393 HydrophobicContact CG2-CG 4.07Å; I340-M393 WeakPolarHBondContact O-CE 3.47Å; I340-D395 HydrophobicContact CG1-CB 4.43Å; I340-V397 HydrophobicContact CD1-CB 3.93Å; I340-V397 HydrophobicContact CD1-CG1 4.35Å; I340-V397 HydrophobicContact CD1-CG2 3.66Å
341	F	97.7	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.7	-40.7	179.1	-67.8	-61.9	0	0	0	112.3	Y232 V253 R255 L275 A277 V337 R338 S339 R368 M393	Y232-F341 HydrophobicContact CD1-CE2 4.43Å; Y232-F341 HydrophobicContact CE1-CD2 4.25Å; Y232-F341 HydrophobicContact CE1-CE2 4.07Å; V253-F341 HydrophobicContact CG1-CE2 4.25Å; V253-F341 HydrophobicContact CG1-CZ 4.15Å; V253-F341 WeakPolarHBondContact O-CZ 3.35Å; R255-F341 HydrophobicContact CB-CD2 4.13Å; R255-F341 HydrophobicContact CB-CE1 4.4Å; R255-F341 HydrophobicContact CB-CE2 3.93Å; R255-F341 HydrophobicContact CB-CG 4.45Å; R255-F341 HydrophobicContact CB-CZ 4.08Å; R255-F341 VanDerWaalsContact CZ-CB 3.43Å; L275-F341 HydrophobicContact CB-CD1 3.76Å; L275-F341 HydrophobicContact CB-CE1 3.84Å; L275-F341 HydrophobicContact CD1-CD1 4.29Å; A277-F341 HydrophobicContact CB-CE1 4.07Å; A277-F341 HydrophobicContact CB-CZ 4.09Å; V337-F341 HydrophobicContact CG1-CD2 4.17Å; V337-F341 HydrophobicContact CG1-CE2 3.76Å; V337-F341 WeakPolarHBondContact O-CD2 3.47Å; V337-F341 PolarHBondContact O-N 2.97Å; R338-F341 PolarHBondContact O-N 3.41Å; S339-F341 PolarHBondContact O-N 2.98Å; F341-R368 PolarHBondContact O-NE 2.89Å; F341-R368 PolarHBondContact O-NH2 2.92Å; F341-M393 HydrophobicContact CD1-CG 3.83Å; F341-M393 HydrophobicContact CD1-SD 4.37Å; F341-M393 HydrophobicContact CE1-CG 4Å
342	E	95.7	Very high	94.8	Very high	92 Å²	92	43.6 Å²	43.6	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-76.1	-32.7	-175	-69.7	169.2	-171.7	0	0	113.3	R338 S339 R368	R338-E342 WeakPolarHBondContact O-CB 3.3Å; R338-E342 WeakPolarHBondContact O-CG 3.33Å; R338-E342 PolarHBondContact O-N 2.88Å; S339-E342 PolarHBondContact O-N 3.25Å; E342-R368 WeakPolarHBondContact O-CD 3.41Å; E342-R368 PolarHBondContact O-NE 2.86Å; E342-R368 VanDerWaalsContact O-NE 3.12Å
343	T	95.6	Very high	94	Very high	99 Å²	99	48.3 Å²	48.3	61%	0.607	27%	0.265	S	S	*	.	H	α-helix	trans	-127.6	-19.3	-170.8	65.5	0	0	0	0	114.4	S339	S339-T343 PolarHBondContact O-N 3.46Å; S339-T343 PolarHBondContact O-OG1 2.91Å; S339-T343 PolarHBondContact OG-OG1 3.5Å
344	G	96.8	Very high	93.6	Very high	5 Å²	5	49.1 Å²	49.1	5%	0.052	27%	0.271	C	S	.	.	S	Bend	trans	-66.7	158	-175	0	0	0	0	0	114.3	I340 R368 M393	I340-G344 VanDerWaalsContact O-CA 3.22Å; I340-G344 WeakPolarHBondContact O-CA 3.14Å; I340-G344 PolarHBondContact O-N 2.93Å; G344-R368 PolarHBondContact O-NH1 2.88Å; G344-R368 VanDerWaalsContact O-NH1 3.14Å; G344-R368 PolarHBondContact O-NH2 2.8Å; G344-M393 WeakPolarHBondContact O-CE 3.36Å
345	P	97.8	Very high	93.1	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.084	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-73.9	151.5	173.2	14.3	-2.9	0	0	0	111.3	P358 I359 Y360 M393 Y394 D395	P345-P358 HydrophobicContact CB-CB 3.98Å; P345-P358 HydrophobicContact CG-CB 4.36Å; P345-I359 WeakPolarHBondContact CA-O 3.31Å; P345-I359 WeakPolarHBondContact CB-O 3.38Å; P345-Y360 HydrophobicContact CB-CD1 3.94Å; P345-Y360 HydrophobicContact CB-CE1 4.16Å; P345-Y360 HydrophobicContact CG-CD1 4.14Å; P345-Y360 HydrophobicContact CG-CE1 3.97Å; P345-M393 WeakPolarHBondContact O-CE 3.41Å; P345-Y394 HydrophobicContact CG-CD1 4.2Å; P345-Y394 HydrophobicContact CG-CG 4.44Å; P345-Y394 WeakPolarHBondContact O-CB 3.22Å; P345-Y394 PolarHBondContact O-N 2.58Å; P345-D395 WeakPolarHBondContact CD-OD2 3.41Å
346	F	97.9	Very high	92.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	156.6	169.7	-71.3	-98.7	0	0	0	110.3	L275 P358 I359 L364 P369 F386 H390 M393	L275-F346 HydrophobicContact CD1-CE1 4.29Å; L275-F346 HydrophobicContact CD1-CZ 4.32Å; L275-F346 HydrophobicContact CD2-CD1 4.48Å; L275-F346 HydrophobicContact CD2-CE1 3.58Å; L275-F346 HydrophobicContact CD2-CZ 4.34Å; F346-P358 CarbonylContact O-C 3.43Å; F346-P358 VanDerWaalsContact O-CA 3.27Å; F346-P358 WeakPolarHBondContact O-CA 3.25Å; F346-I359 HydrophobicContact CB-CB 4.23Å; F346-I359 PolarHBondContact N-O 3.25Å; F346-I359 PolarHBondContact O-N 2.86Å; F346-L364 HydrophobicContact CD2-CD1 3.94Å; F346-L364 HydrophobicContact CD2-CD2 3.69Å; F346-L364 HydrophobicContact CE2-CD1 3.79Å; F346-L364 HydrophobicContact CE2-CD2 4.07Å; F346-P369 HydrophobicContact CZ-CB 4.13Å; F346-P369 WeakPolarHBondContact CZ-O 3.22Å; F346-F386 HydrophobicContact CB-CE1 4.33Å; F346-F386 HydrophobicContact CB-CZ 4.3Å; F346-F386 AromaticContact CD1-CE1 3.83Å; F346-F386 HydrophobicContact CD1-CE1 3.83Å; F346-F386 AromaticContact CD2-CE1 3.88Å; F346-F386 HydrophobicContact CD2-CE1 3.88Å; F346-F386 HydrophobicContact CD2-CZ 4.23Å; F346-F386 HydrophobicContact CE1-CE1 4.03Å; F346-F386 HydrophobicContact CE2-CE1 4.12Å; F346-F386 AromaticContact CG-CE1 3.74Å; F346-F386 HydrophobicContact CG-CE1 3.74Å; F346-F386 HydrophobicContact CG-CZ 4.13Å; F346-F386 HydrophobicContact CZ-CE1 4.19Å; F346-H390 HydrophobicContact CD1-CB 4.01Å; F346-H390 VanDerWaalsContact CD1-O 3.27Å; F346-H390 WeakPolarHBondContact CD1-O 3.42Å; F346-H390 WeakPolarHBondContact CE1-O 3.38Å; F346-M393 HydrophobicContact CD1-SD 4.18Å; F346-M393 HydrophobicContact CE1-SD 4.16Å
347	K	95.1	Very high	92.7	Very high	41 Å²	41	51 Å²	51	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.5	176.6	-162.3	168.5	-170.4	170.6	0	109.9	W356 L392 Y394	K347-W356 HydrophobicContact CD-CB 4.29Å; K347-W356 HydrophobicContact CG-CB 3.92Å; K347-W356 HydrophobicContact CG-CE3 4.04Å; K347-L392 HydrophobicContact CB-CB 4.42Å; K347-L392 HydrophobicContact CB-CD2 4.23Å; K347-L392 HydrophobicContact CB-CG 4.04Å; K347-L392 WeakPolarHBondContact CB-O 3.38Å; K347-L392 HydrophobicContact CD-CD2 3.94Å; K347-L392 HydrophobicContact CD-CG 4.35Å; K347-L392 HydrophobicContact CG-CD2 4.38Å; K347-L392 PolarHBondContact N-O 2.82Å; K347-Y394 HydrophobicContact CB-CD2 4.5Å; K347-Y394 HydrophobicContact CD-CD2 4.15Å; K347-Y394 HydrophobicContact CG-CD2 4.01Å
348	A	91.3	Very high	92.5	Very high	14 Å²	14	52.5 Å²	52.5	12%	0.116	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.6	-175.5	0	0	0	0	0	112.9	W356 L357 I359 H390	A348-W356 CarbonylContact O-C 3.43Å; A348-W356 VanDerWaalsContact O-CA 3.3Å; A348-W356 WeakPolarHBondContact O-CA 3.47Å; A348-L357 PolarHBondContact N-O 3.03Å; A348-L357 PolarHBondContact O-N 3.27Å; A348-I359 HydrophobicContact CB-CD1 3.43Å; A348-I359 VanDerWaalsContact CB-CD1 3.43Å; A348-I359 HydrophobicContact CB-CG1 3.88Å; A348-H390 VanDerWaalsContact CB-CD2 3.48Å; A348-H390 WeakPolarHBondContact CB-CD2 3.43Å
349	Q	89.9	Confident	92.5	Very high	41 Å²	41	53.1 Å²	53.1	19%	0.192	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.7	175.8	-152.7	-168.1	20.1	0	0	109.4	N244 S351 S352 S354 W356	N244-Q349 PolarHBondContact ND2-NE2 3.41Å; Q349-S351 WeakPolarHBondContact CG-O 3.37Å; Q349-S351 PolarHBondContact NE2-O 3.06Å; Q349-S352 PolarHBondContact NE2-O 2.93Å; Q349-S354 WeakPolarHBondContact CG-O 3.42Å; Q349-S354 PolarHBondContact NE2-O 3.48Å; Q349-W356 HydrophobicContact CB-CD2 3.68Å; Q349-W356 HydrophobicContact CB-CE3 4.14Å; Q349-W356 HydrophobicContact CB-CG 4.06Å; Q349-W356 HydrophobicContact CB-CH2 4.46Å; Q349-W356 HydrophobicContact CB-CZ2 3.99Å; Q349-W356 VanDerWaalsContact CD-NE1 3.27Å; Q349-W356 HydrophobicContact CG-CD2 4.16Å; Q349-W356 HydrophobicContact CG-CG 4.09Å
350	R	85	Confident	92.2	Very high	230 Å²	230	56.9 Å²	56.9	87%	0.868	31%	0.306	S	S	*	.	S	Bend	trans	-70.1	-42.1	-178.9	-71.9	-173.7	175.7	-173.8	-0.9	112.4	S354	R350-S354 PolarHBondContact N-OG 3.34Å; R350-S354 VanDerWaalsContact N-OG 3.15Å
351	S	85.3	Confident	91.8	Very high	55 Å²	55	63.3 Å²	63.3	39%	0.385	33%	0.334	S	S	.	.	S	Bend	trans	-141.6	160.5	175.5	67.8	0	0	0	0	109.8	Q349 S353 S354	Q349-S351 WeakPolarHBondContact CG-O 3.37Å; Q349-S351 PolarHBondContact NE2-O 3.06Å; S351-S353 PolarHBondContact O-N 3.47Å; S351-S353 PolarHBondContact OG-OG 2.77Å; S351-S354 PolarHBondContact N-OG 2.71Å; S351-S354 PolarHBondContact O-N 3.05Å; S351-S354 PolarHBondContact O-OG 2.82Å; S351-S354 WeakPolarHBondContact OG-CB 3.46Å; S351-S354 PolarHBondContact OG-N 3.26Å
352	S	83.2	Confident	91.4	Very high	97 Å²	97	68.9 Å²	68.9	68%	0.678	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.2	179.3	52.6	0	0	0	0	113.8	N244 Q349	N244-S352 PolarHBondContact ND2-O 2.81Å; N244-S352 PolarHBondContact OD1-O 2.94Å; Q349-S352 PolarHBondContact NE2-O 2.93Å
353	S	82.4	Confident	91.2	Very high	99 Å²	99	68.7 Å²	68.7	69%	0.692	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.5	178.3	56.2	0	0	0	0	114.8	S351	S351-S353 PolarHBondContact O-N 3.47Å; S351-S353 PolarHBondContact OG-OG 2.77Å
354	S	87.4	Confident	91.1	Very high	28 Å²	28	64.8 Å²	64.8	20%	0.196	36%	0.357	C	S	.	.	S	Bend	trans	-85	154.4	-178	66.7	0	0	0	0	112.6	N244 Q349 R350 S351	N244-S354 PolarHBondContact ND2-O 3.35Å; N244-S354 VanDerWaalsContact ND2-O 3.1Å; Q349-S354 WeakPolarHBondContact CG-O 3.42Å; Q349-S354 PolarHBondContact NE2-O 3.48Å; R350-S354 PolarHBondContact N-OG 3.34Å; R350-S354 VanDerWaalsContact N-OG 3.15Å; S351-S354 PolarHBondContact N-OG 2.71Å; S351-S354 PolarHBondContact O-N 3.05Å; S351-S354 PolarHBondContact O-OG 2.82Å; S351-S354 WeakPolarHBondContact OG-CB 3.46Å; S351-S354 PolarHBondContact OG-N 3.26Å
355	A	87.7	Confident	91.1	Very high	50 Å²	50	65.5 Å²	65.5	41%	0.413	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-65.7	152.5	167.7	0	0	0	0	0	110.6
356	W	91.8	Very high	90.9	Very high	36 Å²	36	71 Å²	71	14%	0.136	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.3	174.7	-71.8	69.1	0	0	0	110	K214 E241 K347 A348 Q349 L392	K214-W356 HydrophobicContact CD-CH2 4.42Å; E241-W356 VanDerWaalsContact CA-CE2 3.5Å; E241-W356 HydrophobicContact CB-CB 4.35Å; E241-W356 HydrophobicContact CB-CD2 3.67Å; E241-W356 HydrophobicContact CB-CE3 4.2Å; E241-W356 HydrophobicContact CB-CG 3.75Å; E241-W356 HydrophobicContact CB-CZ2 4.36Å; K347-W356 HydrophobicContact CD-CB 4.29Å; K347-W356 HydrophobicContact CG-CB 3.92Å; K347-W356 HydrophobicContact CG-CE3 4.04Å; A348-W356 CarbonylContact O-C 3.43Å; A348-W356 VanDerWaalsContact O-CA 3.3Å; A348-W356 WeakPolarHBondContact O-CA 3.47Å; Q349-W356 HydrophobicContact CB-CD2 3.68Å; Q349-W356 HydrophobicContact CB-CE3 4.14Å; Q349-W356 HydrophobicContact CB-CG 4.06Å; Q349-W356 HydrophobicContact CB-CH2 4.46Å; Q349-W356 HydrophobicContact CB-CZ2 3.99Å; Q349-W356 VanDerWaalsContact CD-NE1 3.27Å; Q349-W356 HydrophobicContact CG-CD2 4.16Å; Q349-W356 HydrophobicContact CG-CG 4.09Å; W356-L392 HydrophobicContact CE3-CD2 4.47Å; W356-L392 HydrophobicContact CZ3-CD2 4.31Å
357	L	93	Very high	90.7	Very high	82 Å²	82	74.3 Å²	74.3	43%	0.429	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	156.4	-173.3	-65.5	179	0	0	0	111.4	A348	A348-L357 PolarHBondContact N-O 3.03Å; A348-L357 PolarHBondContact O-N 3.27Å
358	P	96.2	Very high	90.8	Very high	31 Å²	31	73.4 Å²	73.4	20%	0.201	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	142.8	177.5	27.6	-32.2	0	0	0	112.1	P345 F346 Y360 Y394	P345-P358 HydrophobicContact CB-CB 3.98Å; P345-P358 HydrophobicContact CG-CB 4.36Å; F346-P358 CarbonylContact O-C 3.43Å; F346-P358 VanDerWaalsContact O-CA 3.27Å; F346-P358 WeakPolarHBondContact O-CA 3.25Å; P358-Y360 HydrophobicContact CB-CD2 4.47Å; P358-Y360 HydrophobicContact CB-CE1 4.2Å; P358-Y360 HydrophobicContact CB-CE2 3.91Å; P358-Y360 HydrophobicContact CG-CE1 4.49Å; P358-Y360 HydrophobicContact CG-CE2 3.61Å; P358-Y360 WeakPolarHBondContact CG-OH 3.43Å; P358-Y394 HydrophobicContact CB-CD1 4.11Å; P358-Y394 HydrophobicContact CB-CD2 3.79Å; P358-Y394 HydrophobicContact CB-CE1 4.44Å; P358-Y394 HydrophobicContact CB-CE2 4.18Å; P358-Y394 HydrophobicContact CB-CG 3.77Å; P358-Y394 HydrophobicContact CG-CD2 4.25Å; P358-Y394 HydrophobicContact CG-CE2 4.13Å
359	I	96.1	Very high	91	Very high	34 Å²	34	72.7 Å²	72.7	17%	0.174	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.6	163.5	-54.3	177.8	0	0	0	107.3	P345 F346 A348 L364 F386	P345-I359 WeakPolarHBondContact CA-O 3.31Å; P345-I359 WeakPolarHBondContact CB-O 3.38Å; F346-I359 HydrophobicContact CB-CB 4.23Å; F346-I359 PolarHBondContact N-O 3.25Å; F346-I359 PolarHBondContact O-N 2.86Å; A348-I359 HydrophobicContact CB-CD1 3.43Å; A348-I359 VanDerWaalsContact CB-CD1 3.43Å; A348-I359 HydrophobicContact CB-CG1 3.88Å; I359-L364 HydrophobicContact CG2-CD2 3.73Å; I359-F386 HydrophobicContact CD1-CE2 4.13Å; I359-F386 HydrophobicContact CD1-CZ 3.98Å; I359-F386 HydrophobicContact CG2-CE2 4.32Å; I359-F386 HydrophobicContact CG2-CZ 4.15Å
360	Y	93.2	Very high	91.3	Very high	134 Å²	134	71 Å²	71	53%	0.525	39%	0.389	S	S	.	.			trans	-86.3	165	-177.9	-63.8	-75.8	0	0	0	112.5	P345 P358 S362 S363	P345-Y360 HydrophobicContact CB-CD1 3.94Å; P345-Y360 HydrophobicContact CB-CE1 4.16Å; P345-Y360 HydrophobicContact CG-CD1 4.14Å; P345-Y360 HydrophobicContact CG-CE1 3.97Å; P358-Y360 HydrophobicContact CB-CD2 4.47Å; P358-Y360 HydrophobicContact CB-CE1 4.2Å; P358-Y360 HydrophobicContact CB-CE2 3.91Å; P358-Y360 HydrophobicContact CG-CE1 4.49Å; P358-Y360 HydrophobicContact CG-CE2 3.61Å; P358-Y360 WeakPolarHBondContact CG-OH 3.43Å; Y360-S362 VanDerWaalsContact C-N 3.26Å; Y360-S362 PolarHBondContact O-N 3.05Å; Y360-S362 VanDerWaalsContact O-N 3.11Å; Y360-S363 PolarHBondContact O-N 3.27Å
361	K	89	Confident	91.8	Very high	149 Å²	149	62.8 Å²	62.8	65%	0.648	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-49.5	-39.3	-174.8	-172.2	174.5	180	174.8	0	114.5	S363 L364	K361-S363 PolarHBondContact O-N 2.69Å; K361-L364 PolarHBondContact O-N 3.02Å; K361-L364 VanDerWaalsContact O-N 3.16Å
362	S	89.8	Confident	92.2	Very high	117 Å²	117	62.5 Å²	62.5	82%	0.818	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-62.6	-14.3	-179.2	56.7	0	0	0	0	114.8	Y360	Y360-S362 VanDerWaalsContact C-N 3.26Å; Y360-S362 PolarHBondContact O-N 3.05Å; Y360-S362 VanDerWaalsContact O-N 3.11Å
363	S	90.4	Very high	92.7	Very high	87 Å²	87	59.7 Å²	59.7	61%	0.608	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-112.6	8	-178	-57	0	0	0	0	112.9	Y360 K361	Y360-S363 PolarHBondContact O-N 3.27Å; K361-S363 PolarHBondContact O-N 2.69Å
364	L	94.6	Very high	93	Very high	18 Å²	18	59.9 Å²	59.9	9%	0.094	35%	0.348	C	S	.	.	S	Bend	trans	-92.5	144.8	178.9	-56.4	-178.9	0	0	0	110.4	F346 I359 K361 R368 F386	F346-L364 HydrophobicContact CD2-CD1 3.94Å; F346-L364 HydrophobicContact CD2-CD2 3.69Å; F346-L364 HydrophobicContact CE2-CD1 3.79Å; F346-L364 HydrophobicContact CE2-CD2 4.07Å; I359-L364 HydrophobicContact CG2-CD2 3.73Å; K361-L364 PolarHBondContact O-N 3.02Å; K361-L364 VanDerWaalsContact O-N 3.16Å; L364-R368 HydrophobicContact CD1-CG 4.37Å; L364-F386 HydrophobicContact CD2-CE1 3.8Å; L364-F386 HydrophobicContact CD2-CE2 3.84Å; L364-F386 HydrophobicContact CD2-CZ 3.26Å
365	P	95.7	Very high	93.1	Very high	19 Å²	19	62.4 Å²	62.4	12%	0.123	36%	0.359	C	S	.	.			trans	-68.8	160.9	167.8	32.8	-36	0	0	0	110.6	P367 P369 D382 V383 F386	P365-P367 CarbonylContact O-C 3.57Å; P365-P369 HydrophobicContact CG-CG 3.6Å; P365-D382 HydrophobicContact CB-CB 4.46Å; P365-D382 VanDerWaalsContact CB-OD2 3.22Å; P365-D382 WeakPolarHBondContact CB-OD2 3.5Å; P365-V383 HydrophobicContact CB-CG2 3.86Å; P365-V383 HydrophobicContact CG-CB 4.44Å; P365-V383 HydrophobicContact CG-CG2 4.01Å; P365-F386 HydrophobicContact CG-CB 4.1Å; P365-F386 HydrophobicContact CG-CG 4.34Å
366	E	94.1	Very high	93.3	Very high	128 Å²	128	60.2 Å²	60.2	60%	0.598	34%	0.341	S	S	*	.	S	Bend	trans	-114.5	136.4	179.1	-72	-66.5	166.5	0	0	111	R368	E366-R368 PolarHBondContact OE2-N 2.91Å
367	P	94.2	Very high	93.3	Very high	70 Å²	70	62.7 Å²	62.7	46%	0.455	35%	0.353	S	S	.	.	S	Bend	cis	-66.8	157	-2.9	31.3	-37	0	0	0	111.9	P365 L379	P365-P367 CarbonylContact O-C 3.57Å; P367-L379 HydrophobicContact CG-CD2 3.56Å
368	R	96.2	Very high	93.2	Very high	22 Å²	22	62.4 Å²	62.4	8%	0.083	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-49	127.1	-179.5	175.1	176.1	168.6	93.4	-2.3	111.8	F341 E342 G344 L364 E366 G370 D371	F341-R368 PolarHBondContact O-NE 2.89Å; F341-R368 PolarHBondContact O-NH2 2.92Å; E342-R368 WeakPolarHBondContact O-CD 3.41Å; E342-R368 PolarHBondContact O-NE 2.86Å; E342-R368 VanDerWaalsContact O-NE 3.12Å; G344-R368 PolarHBondContact O-NH1 2.88Å; G344-R368 VanDerWaalsContact O-NH1 3.14Å; G344-R368 PolarHBondContact O-NH2 2.8Å; L364-R368 HydrophobicContact CD1-CG 4.37Å; E366-R368 PolarHBondContact OE2-N 2.91Å; R368-G370 PolarHBondContact O-N 2.82Å; R368-D371 WeakPolarHBondContact CB-OD2 3.45Å; R368-D371 WeakPolarHBondContact CD-OD2 3.47Å; R368-D371 PolarHBondContact O-N 2.88Å
369	P	96.1	Very high	93	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	136.5	178.7	-29.3	36.5	0	0	0	113.1	F346 P365 D371 V383 F386 V387	F346-P369 HydrophobicContact CZ-CB 4.13Å; F346-P369 WeakPolarHBondContact CZ-O 3.22Å; P365-P369 HydrophobicContact CG-CG 3.6Å; P369-D371 VanDerWaalsContact C-N 3.29Å; P369-D371 PolarHBondContact O-N 2.83Å; P369-V383 HydrophobicContact CB-CG1 4.36Å; P369-V383 HydrophobicContact CG-CG1 4.22Å; P369-F386 HydrophobicContact CB-CD1 3.62Å; P369-F386 HydrophobicContact CB-CE1 4.28Å; P369-F386 HydrophobicContact CB-CG 4.41Å; P369-F386 HydrophobicContact CG-CB 4.06Å; P369-F386 HydrophobicContact CG-CD1 3.44Å; P369-F386 VanDerWaalsContact CG-CD1 3.44Å; P369-F386 HydrophobicContact CG-CE1 4.09Å; P369-F386 HydrophobicContact CG-CG 3.87Å; P369-V387 HydrophobicContact CB-CB 4.03Å
370	G	95	Very high	92.9	Very high	5 Å²	5	62.8 Å²	62.8	5%	0.052	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-2.1	175.7	0	0	0	0	0	116.3	R255 R368	R255-G370 PolarHBondContact NH2-O 2.83Å; R368-G370 PolarHBondContact O-N 2.82Å
371	D	95.7	Very high	92.8	Very high	57 Å²	57	60.7 Å²	60.7	31%	0.305	37%	0.368	S	S	.	.	S	Bend	trans	-75.9	152.3	170.2	-76.2	-10.8	0	0	0	111.7	R255 R368 P369 S373	R255-D371 IonicContact NH2-OD1 3.4Å; R368-D371 WeakPolarHBondContact CB-OD2 3.45Å; R368-D371 WeakPolarHBondContact CD-OD2 3.47Å; R368-D371 PolarHBondContact O-N 2.88Å; P369-D371 VanDerWaalsContact C-N 3.29Å; P369-D371 PolarHBondContact O-N 2.83Å; D371-S373 PolarHBondContact O-N 2.88Å
372	C	95.4	Very high	93	Very high	50 Å²	50	57.6 Å²	57.6	34%	0.338	36%	0.358	S	S	.	.			trans	-73.1	115.1	-176.9	-56.7	0	0	0	0	111	C257	C257-C372 HydrophobicContact CB-CB 3.79Å; C257-C372 WeakPolarHBondContact CB-SG 3.45Å; C257-C372 WeakPolarHBondContact SG-CA 3.38Å; C257-C372 WeakPolarHBondContact SG-CB 3.35Å; C257-C372 PolarHBondContact SG-N 3.45Å; C257-C372 VanDerWaalsContact SG-N 3.43Å; C257-C372 CovalentContact SG-SG 2.04Å; C257-C372 PolarHBondContact SG-SG 2.82Å
373	S	92.5	Very high	93.3	Very high	38 Å²	38	52.1 Å²	52.1	27%	0.266	32%	0.32	S	S	.	.			trans	-97.2	152.1	172.1	177	0	0	0	0	111	S259 D371 N375	S259-S373 WeakPolarHBondContact CB-O 3.34Å; S259-S373 PolarHBondContact OG-O 2.95Å; D371-S373 PolarHBondContact O-N 2.88Å; S373-N375 PolarHBondContact O-N 3.23Å; S373-N375 PolarHBondContact OG-N 3.27Å; S373-N375 VanDerWaalsContact OG-N 3.16Å; S373-N375 PolarHBondContact OG-O 3.19Å
374	A	89.2	Confident	93.3	Very high	103 Å²	103	48.1 Å²	48.1	85%	0.851	29%	0.292	S	S	*	.	S	Bend	trans	-65.4	-30.7	169.7	0	0	0	0	0	112
375	N	89.9	Confident	93.2	Very high	80 Å²	80	49.5 Å²	49.5	43%	0.428	30%	0.303	S	S	.	.			trans	-144	96.3	175.9	-176.4	7.6	0	0	0	110.1	S373 K377 A378	S373-N375 PolarHBondContact O-N 3.23Å; S373-N375 PolarHBondContact OG-N 3.27Å; S373-N375 VanDerWaalsContact OG-N 3.16Å; S373-N375 PolarHBondContact OG-O 3.19Å; N375-K377 PolarHBondContact O-N 2.6Å; N375-K377 WeakPolarHBondContact OD1-CB 3.46Å; N375-K377 PolarHBondContact OD1-N 2.82Å; N375-A378 HydrophobicContact CB-CB 4.42Å; N375-A378 PolarHBondContact O-N 3.35Å
376	S	92.1	Very high	93.2	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.028	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-65.7	-22.8	179.7	63	0	0	0	0	113.7	D260 Q261 G262 T272 A378 L379	D260-S376 PolarHBondContact OD1-OG 2.86Å; Q261-S376 WeakPolarHBondContact CA-OG 3.43Å; Q261-S376 WeakPolarHBondContact CB-OG 3.25Å; Q261-S376 PolarHBondContact N-OG 3.11Å; G262-S376 PolarHBondContact N-OG 3.4Å; G262-S376 CarbonylContact O-C 3.54Å; G262-S376 PolarHBondContact O-OG 3.32Å; T272-S376 VanDerWaalsContact OG1-CB 3.26Å; T272-S376 WeakPolarHBondContact OG1-CB 3.46Å; S376-A378 PolarHBondContact O-N 2.92Å; S376-L379 WeakPolarHBondContact O-CB 3.48Å; S376-L379 VanDerWaalsContact O-CG 3.28Å; S376-L379 WeakPolarHBondContact O-CG 3.04Å; S376-L379 PolarHBondContact O-N 3.42Å
377	K	90.3	Very high	93.1	Very high	88 Å²	88	44 Å²	44	38%	0.383	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-69.8	-15.7	176.3	-65	-175.3	174.6	-179.1	0	113.1	Q261 N375	Q261-K377 HydrophobicContact CB-CD 4.38Å; Q261-K377 HydrophobicContact CB-CG 4.07Å; Q261-K377 WeakPolarHBondContact O-CE 3.06Å; N375-K377 PolarHBondContact O-N 2.6Å; N375-K377 WeakPolarHBondContact OD1-CB 3.46Å; N375-K377 PolarHBondContact OD1-N 2.82Å
378	A	91.3	Very high	92.9	Very high	77 Å²	77	43 Å²	43	64%	0.636	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-91.4	1.6	176.2	0	0	0	0	0	113.1	N375 S376	N375-A378 HydrophobicContact CB-CB 4.42Å; N375-A378 PolarHBondContact O-N 3.35Å; S376-A378 PolarHBondContact O-N 2.92Å
379	L	92.5	Very high	92.7	Very high	23 Å²	23	51.1 Å²	51.1	12%	0.12	29%	0.293	C	S	.	.	S	Bend	trans	-70.4	144.9	177.3	-65.8	173.1	0	0	0	110.9	P367 S376 V383 I384	P367-L379 HydrophobicContact CG-CD2 3.56Å; S376-L379 WeakPolarHBondContact O-CB 3.48Å; S376-L379 VanDerWaalsContact O-CG 3.28Å; S376-L379 WeakPolarHBondContact O-CG 3.04Å; S376-L379 PolarHBondContact O-N 3.42Å; L379-V383 HydrophobicContact CD1-CG1 4.49Å; L379-V383 HydrophobicContact CD2-CG1 4.46Å; L379-I384 HydrophobicContact CB-CD1 3.75Å; L379-I384 HydrophobicContact CB-CG1 4.04Å; L379-I384 HydrophobicContact CD1-CD1 3.8Å; L379-I384 HydrophobicContact CG-CD1 4.42Å
380	A	93	Very high	92.6	Very high	49 Å²	49	53 Å²	53	41%	0.405	30%	0.302	S	S	.	.			trans	-70.7	153	178.1	0	0	0	0	0	112.3	D382 V383 I384	A380-D382 WeakPolarHBondContact CB-OD1 3.05Å; A380-D382 PolarHBondContact O-N 2.99Å; A380-V383 HydrophobicContact CB-CG2 4.49Å; A380-V383 WeakPolarHBondContact O-CB 3.09Å; A380-V383 PolarHBondContact O-N 2.73Å; A380-V383 VanDerWaalsContact O-N 3.11Å; A380-I384 PolarHBondContact O-N 3.17Å; A380-I384 VanDerWaalsContact O-N 3.08Å
381	D	91.5	Very high	92.7	Very high	90 Å²	90	53.5 Å²	53.5	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-59.6	-32.1	-176.2	-77.9	-35.8	0	0	0	113.3	Y264 S385	Y264-D381 WeakPolarHBondContact CE1-OD1 3.48Å; Y264-D381 PolarHBondContact OH-OD1 2.81Å; Y264-D381 PolarHBondContact OH-OD2 2.69Å; D381-S385 WeakPolarHBondContact O-CB 3.45Å; D381-S385 PolarHBondContact O-N 3.27Å; D381-S385 PolarHBondContact O-OG 2.91Å
382	D	94.3	Very high	92.8	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-67.1	-41.6	176.3	64.5	-30.6	0	0	0	111.6	P365 A380 S385 F386	P365-D382 HydrophobicContact CB-CB 4.46Å; P365-D382 VanDerWaalsContact CB-OD2 3.22Å; P365-D382 WeakPolarHBondContact CB-OD2 3.5Å; A380-D382 WeakPolarHBondContact CB-OD1 3.05Å; A380-D382 PolarHBondContact O-N 2.99Å; D382-S385 WeakPolarHBondContact CA-OG 3.27Å; D382-S385 PolarHBondContact O-OG 2.85Å; D382-S385 VanDerWaalsContact O-OG 3.07Å; D382-F386 WeakPolarHBondContact O-CB 3.43Å; D382-F386 PolarHBondContact O-N 2.82Å
383	V	94.5	Very high	92.9	Very high	2 Å²	2	49 Å²	49	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-48.7	173.1	-178.6	0	0	0	0	110.9	P365 P369 L379 A380 F386 V387	P365-V383 HydrophobicContact CB-CG2 3.86Å; P365-V383 HydrophobicContact CG-CB 4.44Å; P365-V383 HydrophobicContact CG-CG2 4.01Å; P369-V383 HydrophobicContact CB-CG1 4.36Å; P369-V383 HydrophobicContact CG-CG1 4.22Å; L379-V383 HydrophobicContact CD1-CG1 4.49Å; L379-V383 HydrophobicContact CD2-CG1 4.46Å; A380-V383 HydrophobicContact CB-CG2 4.49Å; A380-V383 WeakPolarHBondContact O-CB 3.09Å; A380-V383 PolarHBondContact O-N 2.73Å; A380-V383 VanDerWaalsContact O-N 3.11Å; V383-F386 PolarHBondContact O-N 2.89Å; V383-V387 PolarHBondContact O-N 2.99Å
384	I	92.1	Very high	93.1	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-43.7	-179.4	-63	-55.7	0	0	0	111.7	D263 T272 L379 A380 F386 V387 R388	D263-I384 WeakPolarHBondContact OD2-CG2 3.45Å; T272-I384 HydrophobicContact CG2-CD1 3.55Å; L379-I384 HydrophobicContact CB-CD1 3.75Å; L379-I384 HydrophobicContact CB-CG1 4.04Å; L379-I384 HydrophobicContact CD1-CD1 3.8Å; L379-I384 HydrophobicContact CG-CD1 4.42Å; A380-I384 PolarHBondContact O-N 3.17Å; A380-I384 VanDerWaalsContact O-N 3.08Å; I384-F386 VanDerWaalsContact C-N 3.3Å; I384-F386 PolarHBondContact O-N 3.37Å; I384-V387 WeakPolarHBondContact O-CG1 3.16Å; I384-R388 WeakPolarHBondContact O-CG 3.32Å; I384-R388 PolarHBondContact O-N 2.84Å
385	S	91.8	Very high	93.5	Very high	48 Å²	48	50 Å²	50	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-67.8	-33.2	177.7	65.2	0	0	0	0	112	D381 D382 R389	D381-S385 WeakPolarHBondContact O-CB 3.45Å; D381-S385 PolarHBondContact O-N 3.27Å; D381-S385 PolarHBondContact O-OG 2.91Å; D382-S385 WeakPolarHBondContact CA-OG 3.27Å; D382-S385 PolarHBondContact O-OG 2.85Å; D382-S385 VanDerWaalsContact O-OG 3.07Å; S385-R389 WeakPolarHBondContact O-CG 3.22Å; S385-R389 PolarHBondContact O-N 3.26Å
386	F	94.6	Very high	93.9	Very high	26 Å²	26	47.7 Å²	47.7	11%	0.114	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-55.4	175.1	-172.5	-78.2	0	0	0	111.1	F346 I359 L364 P365 P369 D382 V383 I384 R388 R389 H390	F346-F386 HydrophobicContact CB-CE1 4.33Å; F346-F386 HydrophobicContact CB-CZ 4.3Å; F346-F386 AromaticContact CD1-CE1 3.83Å; F346-F386 HydrophobicContact CD1-CE1 3.83Å; F346-F386 AromaticContact CD2-CE1 3.88Å; F346-F386 HydrophobicContact CD2-CE1 3.88Å; F346-F386 HydrophobicContact CD2-CZ 4.23Å; F346-F386 HydrophobicContact CE1-CE1 4.03Å; F346-F386 HydrophobicContact CE2-CE1 4.12Å; F346-F386 AromaticContact CG-CE1 3.74Å; F346-F386 HydrophobicContact CG-CE1 3.74Å; F346-F386 HydrophobicContact CG-CZ 4.13Å; F346-F386 HydrophobicContact CZ-CE1 4.19Å; I359-F386 HydrophobicContact CD1-CE2 4.13Å; I359-F386 HydrophobicContact CD1-CZ 3.98Å; I359-F386 HydrophobicContact CG2-CE2 4.32Å; I359-F386 HydrophobicContact CG2-CZ 4.15Å; L364-F386 HydrophobicContact CD2-CE1 3.8Å; L364-F386 HydrophobicContact CD2-CE2 3.84Å; L364-F386 HydrophobicContact CD2-CZ 3.26Å; P365-F386 HydrophobicContact CG-CB 4.1Å; P365-F386 HydrophobicContact CG-CG 4.34Å; P369-F386 HydrophobicContact CB-CD1 3.62Å; P369-F386 HydrophobicContact CB-CE1 4.28Å; P369-F386 HydrophobicContact CB-CG 4.41Å; P369-F386 HydrophobicContact CG-CB 4.06Å; P369-F386 HydrophobicContact CG-CD1 3.44Å; P369-F386 VanDerWaalsContact CG-CD1 3.44Å; P369-F386 HydrophobicContact CG-CE1 4.09Å; P369-F386 HydrophobicContact CG-CG 3.87Å; D382-F386 WeakPolarHBondContact O-CB 3.43Å; D382-F386 PolarHBondContact O-N 2.82Å; V383-F386 PolarHBondContact O-N 2.89Å; I384-F386 VanDerWaalsContact C-N 3.3Å; I384-F386 PolarHBondContact O-N 3.37Å; F386-R388 VanDerWaalsContact C-N 3.27Å; F386-R388 PolarHBondContact O-N 3.29Å; F386-R389 PolarHBondContact O-N 2.85Å; F386-H390 HydrophobicContact CD1-CB 4.14Å; F386-H390 AromaticContact CD1-ND1 3.84Å; F386-H390 AromaticContact CD2-ND1 3.78Å; F386-H390 HydrophobicContact CE1-CB 3.77Å; F386-H390 AromaticContact CE1-ND1 3.87Å; F386-H390 AromaticContact CE2-ND1 3.8Å; F386-H390 AromaticContact CG-ND1 3.8Å; F386-H390 HydrophobicContact CZ-CB 4.24Å; F386-H390 AromaticContact CZ-ND1 3.83Å; F386-H390 WeakPolarHBondContact O-CB 3.24Å; F386-H390 PolarHBondContact O-N 2.88Å; F386-H390 PolarHBondContact O-ND1 3.01Å
387	V	92.9	Very high	94.2	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-35.9	-175.1	69.3	0	0	0	0	111.8	T272 L275 P369 V383 I384 R389 H390 N391	T272-V387 WeakPolarHBondContact O-CG1 3.46Å; L275-V387 HydrophobicContact CD2-CG2 4.06Å; P369-V387 HydrophobicContact CB-CB 4.03Å; V383-V387 PolarHBondContact O-N 2.99Å; I384-V387 WeakPolarHBondContact O-CG1 3.16Å; V387-R389 VanDerWaalsContact C-N 3.27Å; V387-R389 PolarHBondContact O-N 3.44Å; V387-H390 CarbonylContact O-C 3.58Å; V387-H390 PolarHBondContact O-N 2.72Å; V387-N391 PolarHBondContact O-OD1 3.03Å
388	R	90.2	Very high	94.6	Very high	51 Å²	51	45.8 Å²	45.8	19%	0.192	25%	0.247	C	C	.	.	H	α-helix	trans	-67.9	-25	177.7	-74.3	-177	178.5	-171.6	6.6	114.1	D263 T268 T270 I384 F386 N391	D263-R388 VanDerWaalsContact CB-NH2 3.28Å; D263-R388 IonicContact OD2-CZ 3.84Å; D263-R388 IonicContact OD2-NH1 3.83Å; D263-R388 IonicContact OD2-NH2 2.78Å; D263-R388 PolarHBondContact OD2-NH2 2.94Å; T268-R388 PolarHBondContact OG1-NH2 3.22Å; T270-R388 VanDerWaalsContact OG1-CZ 3.29Å; T270-R388 PolarHBondContact OG1-NH2 2.93Å; I384-R388 WeakPolarHBondContact O-CG 3.32Å; I384-R388 PolarHBondContact O-N 2.84Å; F386-R388 VanDerWaalsContact C-N 3.27Å; F386-R388 PolarHBondContact O-N 3.29Å; R388-N391 PolarHBondContact O-OD1 2.78Å
389	R	91.4	Very high	94.9	Very high	191 Å²	191	42.5 Å²	42.5	72%	0.721	22%	0.218	S	C	*	.	H	α-helix	trans	-95.3	-16.6	179.6	-68.4	176.8	-177.9	-175.3	3.3	112.2	S385 F386 V387	S385-R389 WeakPolarHBondContact O-CG 3.22Å; S385-R389 PolarHBondContact O-N 3.26Å; F386-R389 PolarHBondContact O-N 2.85Å; V387-R389 VanDerWaalsContact C-N 3.27Å; V387-R389 PolarHBondContact O-N 3.44Å
390	H	94.9	Very high	95	Very high	39 Å²	39	42 Å²	42	18%	0.181	22%	0.215	C	C	.	.			trans	-137.5	80.2	-170.7	-52.6	103.3	0	0	0	110.7	F346 A348 F386 V387	F346-H390 HydrophobicContact CD1-CB 4.01Å; F346-H390 VanDerWaalsContact CD1-O 3.27Å; F346-H390 WeakPolarHBondContact CD1-O 3.42Å; F346-H390 WeakPolarHBondContact CE1-O 3.38Å; A348-H390 VanDerWaalsContact CB-CD2 3.48Å; A348-H390 WeakPolarHBondContact CB-CD2 3.43Å; F386-H390 HydrophobicContact CD1-CB 4.14Å; F386-H390 AromaticContact CD1-ND1 3.84Å; F386-H390 AromaticContact CD2-ND1 3.78Å; F386-H390 HydrophobicContact CE1-CB 3.77Å; F386-H390 AromaticContact CE1-ND1 3.87Å; F386-H390 AromaticContact CE2-ND1 3.8Å; F386-H390 AromaticContact CG-ND1 3.8Å; F386-H390 HydrophobicContact CZ-CB 4.24Å; F386-H390 AromaticContact CZ-ND1 3.83Å; F386-H390 WeakPolarHBondContact O-CB 3.24Å; F386-H390 PolarHBondContact O-N 2.88Å; F386-H390 PolarHBondContact O-ND1 3.01Å; V387-H390 CarbonylContact O-C 3.58Å; V387-H390 PolarHBondContact O-N 2.72Å
391	N	95.8	Very high	95	Very high	17 Å²	17	39.8 Å²	39.8	9%	0.091	20%	0.196	C	C	.	.			trans	-98.4	-4.1	-177.8	-48	28.4	0	0	0	112	C215 F274 L275 K276 V387 R388	C215-N391 PolarHBondContact SG-ND2 2.87Å; F274-N391 HydrophobicContact CD1-CB 4.08Å; F274-N391 HydrophobicContact CE1-CB 4.32Å; L275-N391 CarbonylContact C-O 3.54Å; L275-N391 WeakPolarHBondContact CA-O 3.33Å; K276-N391 PolarHBondContact N-O 3.11Å; V387-N391 PolarHBondContact O-OD1 3.03Å; R388-N391 PolarHBondContact O-OD1 2.78Å
392	L	98	Very high	95.1	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.052	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.9	-173.2	178.8	62.3	0	0	0	110.9	E241 K276 K347 W356	E241-L392 HydrophobicContact CB-CD2 4.07Å; E241-L392 HydrophobicContact CG-CD2 4.22Å; K276-L392 HydrophobicContact CG-CD1 4.05Å; K276-L392 CarbonylContact O-C 3.5Å; K276-L392 WeakPolarHBondContact O-CA 3.42Å; K347-L392 HydrophobicContact CB-CB 4.42Å; K347-L392 HydrophobicContact CB-CD2 4.23Å; K347-L392 HydrophobicContact CB-CG 4.04Å; K347-L392 WeakPolarHBondContact CB-O 3.38Å; K347-L392 HydrophobicContact CD-CD2 3.94Å; K347-L392 HydrophobicContact CD-CG 4.35Å; K347-L392 HydrophobicContact CG-CD2 4.38Å; K347-L392 PolarHBondContact N-O 2.82Å; W356-L392 HydrophobicContact CE3-CD2 4.47Å; W356-L392 HydrophobicContact CZ3-CD2 4.31Å
393	M	98.1	Very high	95.1	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	148.4	172.4	-53.4	-45	-67.5	0	0	111.2	L275 K276 A277 I340 F341 G344 P345 F346	L275-M393 HydrophobicContact CB-SD 4.48Å; L275-M393 HydrophobicContact CD1-SD 4.11Å; K276-M393 PolarHBondContact O-N 3.08Å; A277-M393 HydrophobicContact CB-CB 3.94Å; A277-M393 HydrophobicContact CB-CG 4.06Å; I340-M393 HydrophobicContact CG2-CB 4Å; I340-M393 HydrophobicContact CG2-CG 4.07Å; I340-M393 WeakPolarHBondContact O-CE 3.47Å; F341-M393 HydrophobicContact CD1-CG 3.83Å; F341-M393 HydrophobicContact CD1-SD 4.37Å; F341-M393 HydrophobicContact CE1-CG 4Å; G344-M393 WeakPolarHBondContact O-CE 3.36Å; P345-M393 WeakPolarHBondContact O-CE 3.41Å; F346-M393 HydrophobicContact CD1-SD 4.18Å; F346-M393 HydrophobicContact CE1-SD 4.16Å
394	Y	97.4	Very high	95.2	Very high	93 Å²	93	38.4 Å²	38.4	37%	0.365	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-48.5	179	-179.9	-98.2	0	0	0	112	P345 K347 P358	P345-Y394 HydrophobicContact CG-CD1 4.2Å; P345-Y394 HydrophobicContact CG-CG 4.44Å; P345-Y394 WeakPolarHBondContact O-CB 3.22Å; P345-Y394 PolarHBondContact O-N 2.58Å; K347-Y394 HydrophobicContact CB-CD2 4.5Å; K347-Y394 HydrophobicContact CD-CD2 4.15Å; K347-Y394 HydrophobicContact CG-CD2 4.01Å; P358-Y394 HydrophobicContact CB-CD1 4.11Å; P358-Y394 HydrophobicContact CB-CD2 3.79Å; P358-Y394 HydrophobicContact CB-CE1 4.44Å; P358-Y394 HydrophobicContact CB-CE2 4.18Å; P358-Y394 HydrophobicContact CB-CG 3.77Å; P358-Y394 HydrophobicContact CG-CD2 4.25Å; P358-Y394 HydrophobicContact CG-CE2 4.13Å
395	D	97.7	Very high	95.3	Very high	67 Å²	67	38.5 Å²	38.5	36%	0.358	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	142.2	-179.2	-62.5	-40.7	0	0	0	111.3	I340 P345	I340-D395 HydrophobicContact CG1-CB 4.43Å; P345-D395 WeakPolarHBondContact CD-OD2 3.41Å
396	A	98.2	Very high	95.6	Very high	32 Å²	32	36.3 Å²	36.3	26%	0.264	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.3	170	0	0	0	0	0	109.6	R278 N280 P398	R278-A396 HydrophobicContact CB-CB 3.87Å; R278-A396 HydrophobicContact CG-CB 4.12Å; R278-A396 CarbonylContact O-C 3.54Å; R278-A396 VanDerWaalsContact O-CA 3.24Å; R278-A396 WeakPolarHBondContact O-CA 2.95Å; N280-A396 HydrophobicContact CB-CB 4.04Å; A396-P398 WeakPolarHBondContact O-CD 3.35Å
397	V	98.7	Very high	95.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	117.4	170.7	-169.3	0	0	0	0	108	V253 A277 R278 L279 N280 F332 D336 V337 I340	V253-V397 HydrophobicContact CG1-CG2 3.84Å; A277-V397 HydrophobicContact CB-CG2 4.32Å; R278-V397 PolarHBondContact O-N 2.99Å; L279-V397 HydrophobicContact CD2-CB 3.99Å; L279-V397 HydrophobicContact CD2-CG2 4.02Å; N280-V397 VanDerWaalsContact CB-O 3.29Å; N280-V397 WeakPolarHBondContact CB-O 3.33Å; N280-V397 PolarHBondContact N-O 3.32Å; F332-V397 HydrophobicContact CB-CG1 4.39Å; F332-V397 HydrophobicContact CD1-CB 4.19Å; F332-V397 HydrophobicContact CD1-CG1 3.76Å; F332-V397 HydrophobicContact CG-CG1 4.48Å; D336-V397 HydrophobicContact CB-CG1 4.48Å; V337-V397 HydrophobicContact CG2-CG1 3.69Å; V337-V397 HydrophobicContact CG2-CG2 4.23Å; I340-V397 HydrophobicContact CD1-CB 3.93Å; I340-V397 HydrophobicContact CD1-CG1 4.35Å; I340-V397 HydrophobicContact CD1-CG2 3.66Å
398	P	97.6	Very high	95.9	Very high	53 Å²	53	35.3 Å²	35.3	34%	0.344	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-68.5	153.7	179.2	30.6	-35	0	0	0	110	F332 D336 A396	F332-P398 WeakPolarHBondContact CD1-O 3.43Å; D336-P398 HydrophobicContact CB-CG 4.46Å; A396-P398 WeakPolarHBondContact O-CD 3.35Å
399	N	97	Very high	96.1	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.043	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-68.7	133.1	164.3	-178	-18.4	0	0	0	108.9	N280 C330 A331 F401 D402 Q403 P404	N280-N399 PolarHBondContact O-N 3.45Å; C330-N399 PolarHBondContact SG-ND2 3.44Å; A331-N399 PolarHBondContact O-OD1 2.85Å; A331-N399 VanDerWaalsContact O-OD1 3.11Å; N399-F401 PolarHBondContact O-N 2.04Å; N399-F401 PolarHBondContact OD1-N 3.07Å; N399-D402 PolarHBondContact O-N 2.87Å; N399-Q403 PolarHBondContact ND2-O 3.07Å; N399-P404 WeakPolarHBondContact ND2-CA 3.23Å
400	Y	95.2	Very high	95.9	Very high	11 Å²	11	30.8 Å²	30.8	4%	0.043	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.8	179.6	-179.7	-106.1	0	0	0	113.6	H306 V310 L312 A331 N333 R454	H306-Y400 WeakPolarHBondContact CB-OH 3.47Å; H306-Y400 AromaticContact CD2-CE1 3.74Å; H306-Y400 AromaticContact CG-CE1 3.87Å; H306-Y400 AromaticContact NE2-CE1 3.93Å; V310-Y400 HydrophobicContact CG1-CE2 3.96Å; L312-Y400 HydrophobicContact CD1-CD1 4.2Å; L312-Y400 HydrophobicContact CD1-CE1 4.3Å; L312-Y400 HydrophobicContact CD2-CD1 4.02Å; L312-Y400 HydrophobicContact CD2-CD2 3.89Å; L312-Y400 HydrophobicContact CD2-CE1 4.41Å; L312-Y400 HydrophobicContact CD2-CE2 4.27Å; L312-Y400 HydrophobicContact CD2-CG 3.73Å; A331-Y400 WeakPolarHBondContact O-CB 3.23Å; A331-Y400 PolarHBondContact O-N 2.68Å; N333-Y400 HydrophobicContact CB-CD2 3.84Å; N333-Y400 HydrophobicContact CB-CE2 4.47Å; Y400-R454 HydrophobicContact CE1-CG 4.27Å; Y400-R454 WeakPolarHBondContact O-CD 3.37Å
401	F	93.4	Very high	95.5	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.018	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	11.2	-178.7	-62.2	-78.3	0	0	0	113.7	H306 Y314 A331 N399 Q403 L405 V456	H306-F401 AromaticContact CE1-CE1 3.52Å; H306-F401 AromaticContact CE1-CZ 3.78Å; H306-F401 AromaticContact NE2-CE1 3.98Å; H306-F401 AromaticContact NE2-CZ 3.78Å; Y314-F401 HydrophobicContact CE1-CE2 4.4Å; A331-F401 HydrophobicContact CB-CD2 3.85Å; A331-F401 HydrophobicContact CB-CE2 3.53Å; N399-F401 PolarHBondContact O-N 2.04Å; N399-F401 PolarHBondContact OD1-N 3.07Å; F401-Q403 PolarHBondContact O-N 2.85Å; F401-L405 HydrophobicContact CD1-CD2 4.13Å; F401-L405 HydrophobicContact CD2-CD1 3.81Å; F401-L405 HydrophobicContact CD2-CD2 3.68Å; F401-L405 HydrophobicContact CD2-CG 3.54Å; F401-L405 HydrophobicContact CE1-CD2 4.2Å; F401-L405 HydrophobicContact CE2-CD1 3.45Å; F401-L405 VanDerWaalsContact CE2-CD1 3.45Å; F401-L405 HydrophobicContact CE2-CD2 3.75Å; F401-L405 HydrophobicContact CE2-CG 3.69Å; F401-L405 HydrophobicContact CG-CD2 3.89Å; F401-L405 HydrophobicContact CG-CG 4.18Å; F401-L405 HydrophobicContact CZ-CD1 4.19Å; F401-L405 HydrophobicContact CZ-CD2 4.02Å; F401-L405 HydrophobicContact CZ-CG 4.43Å; F401-V456 HydrophobicContact CB-CG2 3.6Å; F401-V456 HydrophobicContact CD1-CG2 4.34Å; F401-V456 HydrophobicContact CG-CG2 4.15Å
402	D	92.3	Very high	95.2	Very high	110 Å²	110	37 Å²	37	59%	0.588	20%	0.202	S	C	*	.	S	Bend	trans	59.2	-3.7	-173.7	-56.8	-50.3	0	0	0	115.5	N399	N399-D402 PolarHBondContact O-N 2.87Å
403	Q	94.3	Very high	95.1	Very high	38 Å²	38	37.7 Å²	37.7	18%	0.178	20%	0.204	C	C	.	.	S	Bend	trans	-159.6	159.4	177.2	67.6	-176.8	-32.6	0	0	110.4	P284 N399 F401 L405 V456	P284-Q403 HydrophobicContact CG-CB 4.01Å; N399-Q403 PolarHBondContact ND2-O 3.07Å; F401-Q403 PolarHBondContact O-N 2.85Å; Q403-L405 PolarHBondContact O-N 3.47Å; Q403-V456 HydrophobicContact CG-CB 4.3Å; Q403-V456 HydrophobicContact CG-CG2 3.7Å
404	P	97.4	Very high	95	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.			trans	-56.7	141.1	177.3	-22.5	32.1	0	0	0	112.1	N27 S282 F291 A328 V329 N399 I406 V407	N27-P404 PolarHBondContact ND2-O 2.87Å; S282-P404 VanDerWaalsContact O-CD 3.31Å; S282-P404 WeakPolarHBondContact O-CD 3.49Å; F291-P404 HydrophobicContact CD2-CG 4.33Å; F291-P404 HydrophobicContact CE2-CG 4.22Å; A328-P404 HydrophobicContact CB-CB 4.08Å; A328-P404 HydrophobicContact CB-CG 4.36Å; V329-P404 CarbonylContact O-C 3.56Å; V329-P404 WeakPolarHBondContact O-CA 3.19Å; N399-P404 WeakPolarHBondContact ND2-CA 3.23Å; P404-I406 VanDerWaalsContact C-N 3.3Å; P404-V407 HydrophobicContact CB-CG2 3.75Å; P404-V407 HydrophobicContact CG-CG2 4.04Å
405	L	95.1	Very high	95	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	19%	0.192	C	C	.	.	S	Bend	trans	-67.1	-35.9	173.6	-82.3	172.6	0	0	0	111.9	N27 Y314 V329 F401 Q403 L435 N449 V456 T458	N27-L405 WeakPolarHBondContact CB-O 3.48Å; Y314-L405 HydrophobicContact CD1-CD1 3.89Å; Y314-L405 HydrophobicContact CE1-CD1 3.49Å; Y314-L405 VanDerWaalsContact CE1-CD1 3.49Å; V329-L405 PolarHBondContact O-N 3.41Å; F401-L405 HydrophobicContact CD1-CD2 4.13Å; F401-L405 HydrophobicContact CD2-CD1 3.81Å; F401-L405 HydrophobicContact CD2-CD2 3.68Å; F401-L405 HydrophobicContact CD2-CG 3.54Å; F401-L405 HydrophobicContact CE1-CD2 4.2Å; F401-L405 HydrophobicContact CE2-CD1 3.45Å; F401-L405 VanDerWaalsContact CE2-CD1 3.45Å; F401-L405 HydrophobicContact CE2-CD2 3.75Å; F401-L405 HydrophobicContact CE2-CG 3.69Å; F401-L405 HydrophobicContact CG-CD2 3.89Å; F401-L405 HydrophobicContact CG-CG 4.18Å; F401-L405 HydrophobicContact CZ-CD1 4.19Å; F401-L405 HydrophobicContact CZ-CD2 4.02Å; F401-L405 HydrophobicContact CZ-CG 4.43Å; Q403-L405 PolarHBondContact O-N 3.47Å; L405-L435 HydrophobicContact CD1-CD2 4.21Å; L405-N449 HydrophobicContact CD2-CB 3.88Å; L405-V456 HydrophobicContact CD2-CG1 4.16Å; L405-V456 HydrophobicContact CD2-CG2 4.08Å; L405-T458 WeakPolarHBondContact O-CB 3.47Å; L405-T458 PolarHBondContact O-OG1 3.49Å
406	I	96.9	Very high	95	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138	-176.6	-60.7	148.7	0	0	0	107.1	A328 V329 P404 F415 L435 F447 T458	A328-I406 CarbonylContact C-O 3.55Å; A328-I406 WeakPolarHBondContact CA-O 3.23Å; V329-I406 HydrophobicContact CB-CB 4.08Å; V329-I406 HydrophobicContact CB-CD1 3.83Å; V329-I406 HydrophobicContact CB-CG1 4.41Å; V329-I406 HydrophobicContact CG1-CD1 4.35Å; V329-I406 HydrophobicContact CG2-CB 4.18Å; V329-I406 HydrophobicContact CG2-CD1 3.76Å; V329-I406 PolarHBondContact N-O 2.78Å; P404-I406 VanDerWaalsContact C-N 3.3Å; I406-F415 HydrophobicContact CG2-CE2 3.8Å; I406-F415 HydrophobicContact CG2-CZ 3.93Å; I406-L435 HydrophobicContact CD1-CD2 4.33Å; I406-F447 HydrophobicContact CD1-CB 3.69Å; I406-F447 HydrophobicContact CD1-CD1 3.82Å; I406-F447 HydrophobicContact CD1-CD2 3.42Å; I406-F447 VanDerWaalsContact CD1-CD2 3.42Å; I406-F447 HydrophobicContact CD1-CE1 4.21Å; I406-F447 HydrophobicContact CD1-CE2 3.85Å; I406-F447 HydrophobicContact CD1-CG 3.38Å; I406-F447 HydrophobicContact CD1-CZ 4.23Å; I406-F447 HydrophobicContact CG1-CB 4.35Å; I406-F447 HydrophobicContact CG1-CD1 3.81Å; I406-F447 HydrophobicContact CG1-CD2 4.28Å; I406-F447 HydrophobicContact CG1-CE1 4.03Å; I406-F447 HydrophobicContact CG1-CE2 4.47Å; I406-F447 HydrophobicContact CG1-CG 3.92Å; I406-F447 HydrophobicContact CG1-CZ 4.36Å; I406-F447 HydrophobicContact CG2-CD1 4.44Å; I406-F447 HydrophobicContact CG2-CE1 3.8Å; I406-F447 HydrophobicContact CG2-CE2 4.25Å; I406-F447 HydrophobicContact CG2-CZ 3.69Å; I406-T458 HydrophobicContact CD1-CG2 4.45Å; I406-T458 HydrophobicContact CG1-CG2 3.82Å
407	V	97.4	Very high	95.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.6	168.3	175	0	0	0	0	108.9	N27 V28 N29 L283 F291 S327 A328 P404 T409	N27-V407 PolarHBondContact O-N 3.22Å; V28-V407 CarbonylContact C-O 3.59Å; V28-V407 VanDerWaalsContact CA-O 3.3Å; V28-V407 WeakPolarHBondContact CA-O 3.14Å; V28-V407 HydrophobicContact CB-CB 4.43Å; V28-V407 HydrophobicContact CG1-CG1 4.37Å; V28-V407 HydrophobicContact CG2-CB 3.74Å; V28-V407 HydrophobicContact CG2-CG1 3.9Å; V28-V407 HydrophobicContact CG2-CG2 4.36Å; N29-V407 PolarHBondContact N-O 2.86Å; L283-V407 HydrophobicContact CD2-CG2 4.07Å; L283-V407 HydrophobicContact CG-CG2 4.35Å; F291-V407 HydrophobicContact CE1-CG1 4.36Å; F291-V407 HydrophobicContact CE2-CG2 4.22Å; F291-V407 HydrophobicContact CZ-CG1 3.7Å; F291-V407 HydrophobicContact CZ-CG2 4.12Å; S327-V407 WeakPolarHBondContact O-CA 3.45Å; A328-V407 HydrophobicContact CB-CG2 4.48Å; P404-V407 HydrophobicContact CB-CG2 3.75Å; P404-V407 HydrophobicContact CG-CG2 4.04Å; V407-T409 HydrophobicContact CG1-CG2 3.77Å
408	D	96.4	Very high	95.1	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123	172.7	-168.4	-58.3	0	0	0	109.2	A326 S327 N410 Y413 F415	A326-D408 CarbonylContact C-O 3.6Å; A326-D408 WeakPolarHBondContact CA-O 3.21Å; A326-D408 WeakPolarHBondContact CB-O 3.08Å; S327-D408 PolarHBondContact N-O 2.89Å; S327-D408 PolarHBondContact O-N 3.36Å; D408-N410 WeakPolarHBondContact OD1-CB 3.34Å; D408-N410 PolarHBondContact OD1-N 3.43Å; D408-N410 PolarHBondContact OD2-ND2 3.14Å; D408-Y413 WeakPolarHBondContact OD2-CE2 3.48Å; D408-Y413 VanDerWaalsContact OD2-CZ 3.32Å; D408-Y413 PolarHBondContact OD2-OH 2.92Å; D408-F415 HydrophobicContact CB-CE1 4.23Å; D408-F415 HydrophobicContact CB-CE2 4.29Å; D408-F415 HydrophobicContact CB-CZ 3.73Å
409	T	94.1	Very high	95.1	Very high	69 Å²	69	29.5 Å²	29.5	42%	0.423	16%	0.16	S	C	.	.			trans	-125.9	17.8	177.8	78.4	0	0	0	0	111.4	N29 A326 V407 G411	N29-T409 PolarHBondContact ND2-OG1 3.28Å; N29-T409 PolarHBondContact OD1-N 3.3Å; N29-T409 PolarHBondContact OD1-OG1 3.21Å; A326-T409 HydrophobicContact CB-CG2 4.01Å; V407-T409 HydrophobicContact CG1-CG2 3.77Å; T409-G411 PolarHBondContact O-N 3.45Å
410	N	87.7	Confident	95.1	Very high	77 Å²	77	29.8 Å²	29.8	41%	0.412	16%	0.162	S	C	.	.	S	Bend	trans	-70	-22.8	-177.8	-66.5	-40.9	0	0	0	111.4	N29 D408 E412	N29-N410 PolarHBondContact OD1-N 3.39Å; N29-N410 PolarHBondContact OD1-OD1 3.12Å; D408-N410 WeakPolarHBondContact OD1-CB 3.34Å; D408-N410 PolarHBondContact OD1-N 3.43Å; D408-N410 PolarHBondContact OD2-ND2 3.14Å; N410-E412 HydrophobicContact CB-CG 4.48Å; N410-E412 PolarHBondContact O-N 2.69Å
411	G	86.4	Confident	95	Very high	31 Å²	31	30.3 Å²	30.3	32%	0.32	17%	0.165	S	C	.	.	S	Bend	trans	76	-4.1	175.9	0	0	0	0	0	114.8	T409 Y413	T409-G411 PolarHBondContact O-N 3.45Å; G411-Y413 VanDerWaalsContact C-N 3.34Å
412	E	90.2	Very high	94.9	Very high	156 Å²	156	32 Å²	32	73%	0.729	18%	0.177	S	C	*	.	S	Bend	trans	-69.3	-31.9	178.6	-62.1	-169.6	165.9	0	0	113	N410	N410-E412 HydrophobicContact CB-CG 4.48Å; N410-E412 PolarHBondContact O-N 2.69Å
413	Y	94.5	Very high	94.7	Very high	25 Å²	25	28 Å²	28	10%	0.098	16%	0.158	C	C	.	.			trans	-152.3	166.4	-179.9	54.2	-106.2	0	0	0	110.7	D408 G411 F415 T439 D440 S441 L445	D408-Y413 WeakPolarHBondContact OD2-CE2 3.48Å; D408-Y413 VanDerWaalsContact OD2-CZ 3.32Å; D408-Y413 PolarHBondContact OD2-OH 2.92Å; G411-Y413 VanDerWaalsContact C-N 3.34Å; Y413-F415 HydrophobicContact CD2-CD1 4.31Å; Y413-F415 HydrophobicContact CD2-CE1 4.27Å; Y413-F415 HydrophobicContact CE2-CD1 4.18Å; Y413-F415 AromaticContact CE2-CE1 3.68Å; Y413-F415 HydrophobicContact CE2-CE1 3.68Å; Y413-T439 HydrophobicContact CD2-CG2 3.53Å; Y413-T439 HydrophobicContact CE2-CG2 4Å; Y413-T439 HydrophobicContact CG-CG2 3.86Å; Y413-D440 WeakPolarHBondContact CA-OD1 3.37Å; Y413-D440 WeakPolarHBondContact CB-OD1 3.44Å; Y413-S441 WeakPolarHBondContact CB-OG 3.43Å; Y413-L445 HydrophobicContact CE2-CD1 4.45Å; Y413-L445 HydrophobicContact CE2-CD2 4.4Å
414	Q	96.2	Very high	94.5	Very high	28 Å²	28	26.3 Å²	26.3	13%	0.131	15%	0.15	C	C	.	.			trans	-118	150.9	166.8	-63.5	-168.5	-67.6	0	0	111	R325 S327 T439 D440	R325-Q414 HydrophobicContact CB-CG 4.43Å; S327-Q414 WeakPolarHBondContact OG-CA 3.22Å; Q414-T439 CarbonylContact O-C 3.53Å; Q414-T439 VanDerWaalsContact O-CA 3.24Å; Q414-T439 WeakPolarHBondContact O-CA 3.42Å; Q414-D440 VanDerWaalsContact N-CG 3.35Å; Q414-D440 PolarHBondContact N-OD1 2.97Å; Q414-D440 PolarHBondContact N-OD2 3.35Å; Q414-D440 PolarHBondContact O-N 3.27Å
415	F	98.5	Very high	94	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.9	174.3	-62.2	-20.6	0	0	0	110.7	V316 N318 S327 V329 I406 D408 Y413 V437 G438 T439 L445 F447	V316-F415 HydrophobicContact CB-CB 4.45Å; V316-F415 HydrophobicContact CG1-CB 3.3Å; V316-F415 HydrophobicContact CG1-CG 4.43Å; V316-F415 HydrophobicContact CG2-CB 4.3Å; N318-F415 PolarHBondContact ND2-O 3.47Å; N318-F415 VanDerWaalsContact ND2-O 3.14Å; N318-F415 PolarHBondContact OD1-O 2.58Å; S327-F415 VanDerWaalsContact CB-CG 3.44Å; S327-F415 PolarHBondContact OG-N 3.06Å; V329-F415 HydrophobicContact CG2-CD2 4.07Å; V329-F415 HydrophobicContact CG2-CE2 4.11Å; I406-F415 HydrophobicContact CG2-CE2 3.8Å; I406-F415 HydrophobicContact CG2-CZ 3.93Å; D408-F415 HydrophobicContact CB-CE1 4.23Å; D408-F415 HydrophobicContact CB-CE2 4.29Å; D408-F415 HydrophobicContact CB-CZ 3.73Å; Y413-F415 HydrophobicContact CD2-CD1 4.31Å; Y413-F415 HydrophobicContact CD2-CE1 4.27Å; Y413-F415 HydrophobicContact CE2-CD1 4.18Å; Y413-F415 AromaticContact CE2-CE1 3.68Å; Y413-F415 HydrophobicContact CE2-CE1 3.68Å; F415-V437 HydrophobicContact CB-CG1 3.72Å; F415-V437 HydrophobicContact CD1-CG1 3.5Å; F415-V437 HydrophobicContact CD2-CG1 3.78Å; F415-V437 HydrophobicContact CE1-CG1 3.97Å; F415-V437 HydrophobicContact CE2-CG1 4.26Å; F415-V437 HydrophobicContact CG-CG1 3.39Å; F415-V437 HydrophobicContact CZ-CG1 4.34Å; F415-G438 CarbonylContact C-O 3.58Å; F415-G438 WeakPolarHBondContact CA-O 3.22Å; F415-T439 HydrophobicContact CD1-CG2 4.29Å; F415-L445 HydrophobicContact CE1-CD1 4.19Å; F415-L445 HydrophobicContact CE1-CD2 4.21Å; F415-F447 HydrophobicContact CZ-CZ 4.33Å
416	T	98.4	Very high	93.7	Very high	30 Å²	30	27.7 Å²	27.7	18%	0.184	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	-31	-173.1	56	0	0	0	0	114.1	S296 G438 D440 V473	S296-T416 WeakPolarHBondContact CB-O 3.23Å; T416-G438 PolarHBondContact N-O 3.32Å; T416-G438 VanDerWaalsContact OG1-C 3.32Å; T416-G438 PolarHBondContact OG1-O 3.31Å; T416-D440 HydrophobicContact CG2-CB 3.83Å; T416-V473 VanDerWaalsContact CB-O 3.24Å; T416-V473 WeakPolarHBondContact CB-O 3.47Å; T416-V473 PolarHBondContact OG1-O 3.29Å
417	A	98.8	Very high	93.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.8	-174.2	0	0	0	0	0	111.2	V437 G438 V473 L476	A417-V437 CarbonylContact O-C 3.49Å; A417-V437 WeakPolarHBondContact O-CA 3.48Å; A417-G438 PolarHBondContact O-N 2.93Å; A417-V473 HydrophobicContact CB-CG1 4.15Å; A417-L476 HydrophobicContact CB-CD1 4.38Å; A417-L476 HydrophobicContact CB-CG 4.15Å
418	I	98.8	Very high	92.5	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.3	174.3	-169.2	163.7	0	0	0	111.9	S296 V316 V329 V420 L435 F436 V437	S296-I418 PolarHBondContact OG-N 2.96Å; V316-I418 HydrophobicContact CG2-CB 3.85Å; V316-I418 HydrophobicContact CG2-CD1 4.37Å; V316-I418 HydrophobicContact CG2-CG2 4.31Å; V329-I418 HydrophobicContact CG1-CD1 3.75Å; I418-V420 HydrophobicContact CD1-CG2 4.47Å; I418-V420 HydrophobicContact CG1-CG2 4.27Å; I418-L435 HydrophobicContact CD1-CD2 4.4Å; I418-F436 CarbonylContact C-O 3.3Å; I418-F436 VanDerWaalsContact CA-O 3.3Å; I418-F436 WeakPolarHBondContact CA-O 3.12Å; I418-V437 HydrophobicContact CD1-CG2 4.48Å; I418-V437 HydrophobicContact CG1-CG2 4.47Å
419	A	98.5	Very high	91.9	Very high	8 Å²	8	36.4 Å²	36.4	7%	0.066	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.9	163.7	0	0	0	0	0	109.6	F436 L476 V478 L491	A419-F436 PolarHBondContact N-O 3Å; A419-F436 PolarHBondContact O-N 2.7Å; A419-L476 HydrophobicContact CB-CB 3.59Å; A419-V478 HydrophobicContact CB-CG2 4.11Å; A419-L491 HydrophobicContact CB-CD1 4.27Å
420	V	96.6	Very high	91.6	Very high	14 Å²	14	38 Å²	38	9%	0.085	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.2	-176.2	-176.7	0	0	0	0	108.8	V301 Y314 I418 D433 V434 L435	V301-V420 HydrophobicContact CG1-CB 4.19Å; V301-V420 HydrophobicContact CG1-CG1 4.33Å; V301-V420 HydrophobicContact CG2-CG1 4.36Å; Y314-V420 HydrophobicContact CD2-CG1 4.3Å; Y314-V420 HydrophobicContact CD2-CG2 3.85Å; Y314-V420 HydrophobicContact CE2-CG1 4.29Å; Y314-V420 HydrophobicContact CG-CG2 4.02Å; I418-V420 HydrophobicContact CD1-CG2 4.47Å; I418-V420 HydrophobicContact CG1-CG2 4.27Å; V420-D433 HydrophobicContact CG1-CB 4.34Å; V420-V434 WeakPolarHBondContact CA-O 3.33Å; V420-L435 HydrophobicContact CG2-CG 4.44Å
421	H	93.7	Very high	91.6	Very high	23 Å²	23	39.5 Å²	39.5	11%	0.106	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	103.3	163.2	-169.9	-171.2	0	0	0	107	V424 V434 F436 V478 Y523	H421-V424 HydrophobicContact CB-CG2 4.15Å; H421-V434 HydrophobicContact CB-CB 4.46Å; H421-V434 PolarHBondContact N-O 2.58Å; H421-V434 PolarHBondContact O-N 3.46Å; H421-F436 HydrophobicContact CB-CE2 4.34Å; H421-V478 HydrophobicContact CB-CG1 4.14Å; H421-V478 HydrophobicContact CB-CG2 4.2Å; H421-Y523 WeakPolarHBondContact CB-OH 3.11Å; H421-Y523 AromaticContact ND1-CE1 3.65Å; H421-Y523 AromaticContact ND1-CZ 3.67Å; H421-Y523 PolarHBondContact ND1-OH 2.99Å
422	S	91.2	Very high	91.8	Very high	38 Å²	38	38.9 Å²	38.9	27%	0.266	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	152	-173.5	67.6	0	0	0	0	112.5	M302 V424 D433	M302-S422 WeakPolarHBondContact O-CB 3.37Å; M302-S422 PolarHBondContact O-OG 3.29Å; M302-S422 VanDerWaalsContact O-OG 3.07Å; S422-V424 VanDerWaalsContact C-N 3.28Å; S422-V424 PolarHBondContact O-N 3.48Å; S422-D433 WeakPolarHBondContact CA-OD1 3.4Å; S422-D433 VanDerWaalsContact CB-OD1 3.24Å; S422-D433 WeakPolarHBondContact CB-OD1 3.16Å
423	S	88.2	Confident	92	Very high	27 Å²	27	31.5 Å²	31.5	19%	0.189	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.7	34.5	170.3	-51.4	0	0	0	0	115	M302 D304 T425 Y432 D433	M302-S423 PolarHBondContact O-OG 2.66Å; D304-S423 WeakPolarHBondContact OD1-CB 3.27Å; D304-S423 PolarHBondContact OD1-OG 3.4Å; D304-S423 VanDerWaalsContact OD1-OG 3.08Å; S423-T425 PolarHBondContact O-N 2.79Å; S423-T425 VanDerWaalsContact O-N 3.15Å; S423-T425 PolarHBondContact O-OG1 3.5Å; S423-Y432 PolarHBondContact N-O 2.8Å; S423-D433 PolarHBondContact N-OD1 2.86Å
424	V	88.8	Confident	92	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	116	175.2	176.3	0	0	0	0	109.4	H421 S422 R431 Y432 V434 P522 Y523 L538	H421-V424 HydrophobicContact CB-CG2 4.15Å; S422-V424 VanDerWaalsContact C-N 3.28Å; S422-V424 PolarHBondContact O-N 3.48Å; V424-R431 CarbonylContact O-C 3.56Å; V424-R431 VanDerWaalsContact O-CA 3.28Å; V424-R431 WeakPolarHBondContact O-CA 3.35Å; V424-Y432 WeakPolarHBondContact CA-O 3.24Å; V424-Y432 VanDerWaalsContact CB-O 3.25Å; V424-Y432 WeakPolarHBondContact CB-O 3.36Å; V424-Y432 PolarHBondContact N-O 2.92Å; V424-Y432 PolarHBondContact O-N 2.75Å; V424-V434 HydrophobicContact CB-CG2 4.14Å; V424-V434 HydrophobicContact CG2-CB 4.47Å; V424-V434 HydrophobicContact CG2-CG2 3.76Å; V424-P522 HydrophobicContact CG1-CB 3.82Å; V424-Y523 HydrophobicContact CB-CE1 4.12Å; V424-Y523 HydrophobicContact CG1-CD1 3.56Å; V424-Y523 HydrophobicContact CG1-CE1 3.35Å; V424-Y523 HydrophobicContact CG2-CE1 3.6Å; V424-L538 HydrophobicContact CG1-CD2 3.8Å
425	T	87.6	Confident	92.1	Very high	28 Å²	28	29.2 Å²	29.2	17%	0.172	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.8	-174.5	-54.3	0	0	0	0	111.5	S423 Q430 R431 F551	S423-T425 PolarHBondContact O-N 2.79Å; S423-T425 VanDerWaalsContact O-N 3.15Å; S423-T425 PolarHBondContact O-OG1 3.5Å; T425-Q430 CarbonylContact C-O 3.45Å; T425-Q430 WeakPolarHBondContact CA-O 3.11Å; T425-R431 HydrophobicContact CG2-CG 4.3Å; T425-R431 WeakPolarHBondContact OG1-CG 3.15Å; T425-R431 PolarHBondContact OG1-NE 2.98Å; T425-R431 VanDerWaalsContact OG1-NE 3.12Å; T425-F551 HydrophobicContact CG2-CE1 3.97Å; T425-F551 HydrophobicContact CG2-CZ 3.96Å
426	T	88.6	Confident	92.1	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-81.8	171	176	65.1	0	0	0	0	112.2	G428 K429 Q430 Y432 P522 V563	T426-G428 PolarHBondContact O-N 2.95Å; T426-G428 PolarHBondContact OG1-N 3.23Å; T426-K429 PolarHBondContact O-N 3.09Å; T426-Q430 PolarHBondContact N-O 2.81Å; T426-Q430 WeakPolarHBondContact OG1-CB 3.24Å; T426-Q430 PolarHBondContact OG1-N 3.47Å; T426-Q430 VanDerWaalsContact OG1-N 3.07Å; T426-Q430 PolarHBondContact OG1-O 2.93Å; T426-Q430 PolarHBondContact OG1-OE1 2.92Å; T426-Y432 HydrophobicContact CG2-CD2 3.57Å; T426-Y432 HydrophobicContact CG2-CE2 3.57Å; T426-P522 HydrophobicContact CG2-CB 4.35Å; T426-V563 HydrophobicContact CG2-CG2 3.8Å
427	V	85.5	Confident	92.2	Very high	14 Å²	14	28 Å²	28	9%	0.085	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-41.3	170.4	-176.8	0	0	0	0	110.5	K429 A525 I536 W554 F559 Q561	V427-K429 PolarHBondContact O-N 3.36Å; V427-K429 VanDerWaalsContact O-N 3.09Å; V427-A525 HydrophobicContact CG2-CB 3.79Å; V427-I536 HydrophobicContact CG2-CD1 3.38Å; V427-I536 HydrophobicContact CG2-CG1 4.04Å; V427-W554 HydrophobicContact CB-CE3 4.48Å; V427-W554 HydrophobicContact CG1-CE3 4.28Å; V427-W554 HydrophobicContact CG2-CE3 3.75Å; V427-W554 HydrophobicContact CG2-CZ3 3.95Å; V427-F559 HydrophobicContact CB-CB 4.49Å; V427-F559 HydrophobicContact CG1-CB 3.95Å; V427-F559 HydrophobicContact CG1-CD2 4.36Å; V427-F559 HydrophobicContact CG2-CB 3.86Å; V427-F559 HydrophobicContact CG2-CG 4.37Å; V427-Q561 HydrophobicContact CG2-CB 4.4Å
428	G	83.9	Confident	92.1	Very high	43 Å²	43	28 Å²	28	44%	0.443	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	10.6	178.4	0	0	0	0	0	114.7	T426 Q430	T426-G428 PolarHBondContact O-N 2.95Å; T426-G428 PolarHBondContact OG1-N 3.23Å; G428-Q430 PolarHBondContact O-N 3.13Å
429	K	84.5	Confident	92.1	Very high	139 Å²	139	27.6 Å²	27.6	60%	0.604	15%	0.146	S	C	*	.	S	Bend	trans	59.3	14	-177.9	-55.6	173.4	-176.5	162.4	0	114.5	T426 V427	T426-K429 PolarHBondContact O-N 3.09Å; V427-K429 PolarHBondContact O-N 3.36Å; V427-K429 VanDerWaalsContact O-N 3.09Å
430	Q	86.8	Confident	92	Very high	103 Å²	103	29.6 Å²	29.6	48%	0.481	16%	0.156	S	C	.	.			trans	-75.2	157	166.1	-62.3	123.1	10.7	0	0	108.7	T425 T426 G428 Y432	T425-Q430 CarbonylContact C-O 3.45Å; T425-Q430 WeakPolarHBondContact CA-O 3.11Å; T426-Q430 PolarHBondContact N-O 2.81Å; T426-Q430 WeakPolarHBondContact OG1-CB 3.24Å; T426-Q430 PolarHBondContact OG1-N 3.47Å; T426-Q430 VanDerWaalsContact OG1-N 3.07Å; T426-Q430 PolarHBondContact OG1-O 2.93Å; T426-Q430 PolarHBondContact OG1-OE1 2.92Å; G428-Q430 PolarHBondContact O-N 3.13Å; Q430-Y432 HydrophobicContact CB-CE2 3.87Å
431	R	88	Confident	92	Very high	107 Å²	107	30.5 Å²	30.5	40%	0.404	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.2	-179.7	-70.2	-178	-178	124.4	6.2	110.4	D304 Q305 V424 T425	D304-R431 VanDerWaalsContact OD1-CB 3.28Å; D304-R431 WeakPolarHBondContact OD1-CB 3.47Å; D304-R431 WeakPolarHBondContact OD1-CD 3.34Å; D304-R431 WeakPolarHBondContact OD2-CD 3.35Å; D304-R431 IonicContact OD2-CZ 3.33Å; D304-R431 IonicContact OD2-NE 2.63Å; D304-R431 PolarHBondContact OD2-NE 3.26Å; D304-R431 IonicContact OD2-NH1 2.78Å; D304-R431 PolarHBondContact OD2-NH1 3.46Å; Q305-R431 VanDerWaalsContact CG-O 3.25Å; Q305-R431 WeakPolarHBondContact CG-O 3.33Å; Q305-R431 PolarHBondContact OE1-O 2.88Å; V424-R431 CarbonylContact O-C 3.56Å; V424-R431 VanDerWaalsContact O-CA 3.28Å; V424-R431 WeakPolarHBondContact O-CA 3.35Å; T425-R431 HydrophobicContact CG2-CG 4.3Å; T425-R431 WeakPolarHBondContact OG1-CG 3.15Å; T425-R431 PolarHBondContact OG1-NE 2.98Å; T425-R431 VanDerWaalsContact OG1-NE 3.12Å
432	Y	91.2	Very high	92.1	Very high	19 Å²	19	29.5 Å²	29.5	8%	0.075	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.2	-177.7	-66.4	-74.3	0	0	0	110.6	S423 V424 T426 Q430 V448 N449 V450 P522 V563	S423-Y432 PolarHBondContact N-O 2.8Å; V424-Y432 WeakPolarHBondContact CA-O 3.24Å; V424-Y432 VanDerWaalsContact CB-O 3.25Å; V424-Y432 WeakPolarHBondContact CB-O 3.36Å; V424-Y432 PolarHBondContact N-O 2.92Å; V424-Y432 PolarHBondContact O-N 2.75Å; T426-Y432 HydrophobicContact CG2-CD2 3.57Å; T426-Y432 HydrophobicContact CG2-CE2 3.57Å; Q430-Y432 HydrophobicContact CB-CE2 3.87Å; Y432-V448 HydrophobicContact CD1-CG1 3.72Å; Y432-V448 HydrophobicContact CG-CG1 3.9Å; Y432-N449 WeakPolarHBondContact CD1-O 3.14Å; Y432-V450 HydrophobicContact CE1-CB 4.4Å; Y432-P522 HydrophobicContact CD2-CB 4.34Å; Y432-P522 HydrophobicContact CD2-CG 4.21Å; Y432-P522 HydrophobicContact CG-CG 4.28Å; Y432-V563 HydrophobicContact CD1-CG1 4.39Å; Y432-V563 HydrophobicContact CD2-CB 4.31Å; Y432-V563 HydrophobicContact CD2-CG1 4.05Å; Y432-V563 HydrophobicContact CD2-CG2 4.18Å; Y432-V563 HydrophobicContact CE1-CG1 4.24Å; Y432-V563 HydrophobicContact CE2-CB 3.76Å; Y432-V563 HydrophobicContact CE2-CG1 3.88Å; Y432-V563 HydrophobicContact CE2-CG2 3.86Å; Y432-V563 HydrophobicContact CG-CG1 4.29Å
433	D	93.3	Very high	92.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.9	166.5	-57.8	-41.4	0	0	0	107	S303 Q305 Y314 V420 S422 S423 L435	S303-D433 VanDerWaalsContact CB-OD2 3.23Å; S303-D433 WeakPolarHBondContact CB-OD2 3.47Å; S303-D433 PolarHBondContact OG-OD2 2.94Å; Q305-D433 PolarHBondContact NE2-OD2 2.89Å; Y314-D433 PolarHBondContact OH-OD2 3.31Å; Y314-D433 VanDerWaalsContact OH-OD2 3.11Å; V420-D433 HydrophobicContact CG1-CB 4.34Å; S422-D433 WeakPolarHBondContact CA-OD1 3.4Å; S422-D433 VanDerWaalsContact CB-OD1 3.24Å; S422-D433 WeakPolarHBondContact CB-OD1 3.16Å; S423-D433 PolarHBondContact N-OD1 2.86Å; D433-L435 HydrophobicContact CB-CD1 4.3Å; D433-L435 VanDerWaalsContact O-CD1 3.28Å; D433-L435 WeakPolarHBondContact O-CD1 3.16Å
434	V	95.5	Very high	92.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.1	179.4	-176.7	0	0	0	0	108.1	V420 H421 V424 F436 K446 V448 P522 Y523	V420-V434 WeakPolarHBondContact CA-O 3.33Å; H421-V434 HydrophobicContact CB-CB 4.46Å; H421-V434 PolarHBondContact N-O 2.58Å; H421-V434 PolarHBondContact O-N 3.46Å; V424-V434 HydrophobicContact CB-CG2 4.14Å; V424-V434 HydrophobicContact CG2-CB 4.47Å; V424-V434 HydrophobicContact CG2-CG2 3.76Å; V434-F436 HydrophobicContact CB-CE2 4.38Å; V434-F436 HydrophobicContact CG1-CE1 4.27Å; V434-F436 HydrophobicContact CG1-CE2 3.83Å; V434-F436 HydrophobicContact CG1-CZ 3.61Å; V434-K446 HydrophobicContact CG1-CD 4.33Å; V434-K446 HydrophobicContact CG1-CG 3.9Å; V434-V448 HydrophobicContact CB-CG2 4.5Å; V434-V448 HydrophobicContact CG1-CG2 4.29Å; V434-V448 HydrophobicContact CG2-CG2 4.06Å; V434-P522 HydrophobicContact CG2-CB 4.44Å; V434-P522 HydrophobicContact CG2-CG 4.06Å; V434-Y523 WeakPolarHBondContact CB-OH 3.46Å; V434-Y523 HydrophobicContact CG1-CE2 4.02Å; V434-Y523 HydrophobicContact CG2-CE1 4.43Å; V434-Y523 HydrophobicContact CG2-CE2 4.28Å
435	L	98.1	Very high	93.3	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.4	-176.4	-65	71.4	0	0	0	109.1	Y314 V329 L405 I406 I418 V420 D433 K446 F447	Y314-L435 HydrophobicContact CD1-CD2 3.61Å; Y314-L435 HydrophobicContact CD1-CG 4.27Å; Y314-L435 HydrophobicContact CE1-CD1 4.35Å; Y314-L435 HydrophobicContact CE1-CD2 3.93Å; Y314-L435 HydrophobicContact CE1-CG 4.4Å; Y314-L435 HydrophobicContact CG-CD2 4.4Å; V329-L435 HydrophobicContact CG1-CD2 3.91Å; L405-L435 HydrophobicContact CD1-CD2 4.21Å; I406-L435 HydrophobicContact CD1-CD2 4.33Å; I418-L435 HydrophobicContact CD1-CD2 4.4Å; V420-L435 HydrophobicContact CG2-CG 4.44Å; D433-L435 HydrophobicContact CB-CD1 4.3Å; D433-L435 VanDerWaalsContact O-CD1 3.28Å; D433-L435 WeakPolarHBondContact O-CD1 3.16Å; L435-K446 CarbonylContact O-C 3.6Å; L435-K446 WeakPolarHBondContact O-CA 3.26Å; L435-F447 HydrophobicContact CB-CB 4.33Å; L435-F447 PolarHBondContact N-O 2.96Å; L435-F447 PolarHBondContact O-N 3.15Å
436	F	98.7	Very high	93.8	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.3	171.2	-56.5	-86.3	0	0	0	108.4	I418 A419 H421 V434 V444 L445 K446 L476 V478 L491 V504 Y523	I418-F436 CarbonylContact C-O 3.3Å; I418-F436 VanDerWaalsContact CA-O 3.3Å; I418-F436 WeakPolarHBondContact CA-O 3.12Å; A419-F436 PolarHBondContact N-O 3Å; A419-F436 PolarHBondContact O-N 2.7Å; H421-F436 HydrophobicContact CB-CE2 4.34Å; V434-F436 HydrophobicContact CB-CE2 4.38Å; V434-F436 HydrophobicContact CG1-CE1 4.27Å; V434-F436 HydrophobicContact CG1-CE2 3.83Å; V434-F436 HydrophobicContact CG1-CZ 3.61Å; F436-V444 HydrophobicContact CB-CG1 4.29Å; F436-V444 HydrophobicContact CD1-CG1 4.49Å; F436-L445 CarbonylContact C-O 3.57Å; F436-L445 WeakPolarHBondContact CA-O 3.19Å; F436-K446 HydrophobicContact CD1-CB 4.26Å; F436-K446 HydrophobicContact CD1-CG 4.14Å; F436-K446 HydrophobicContact CE1-CB 4.3Å; F436-K446 HydrophobicContact CE1-CD 3.89Å; F436-K446 HydrophobicContact CE1-CG 3.79Å; F436-K446 HydrophobicContact CZ-CG 4.46Å; F436-L476 HydrophobicContact CB-CD1 4.14Å; F436-L476 WeakPolarHBondContact O-CD1 3.3Å; F436-V478 HydrophobicContact CD2-CG2 3.89Å; F436-V478 HydrophobicContact CE2-CG2 3.89Å; F436-L491 HydrophobicContact CB-CD1 4Å; F436-L491 HydrophobicContact CB-CD2 4.02Å; F436-L491 HydrophobicContact CD1-CD1 4.36Å; F436-L491 HydrophobicContact CD1-CD2 3.81Å; F436-L491 HydrophobicContact CD2-CD1 4Å; F436-L491 HydrophobicContact CG-CD1 3.85Å; F436-L491 HydrophobicContact CG-CD2 3.98Å; F436-V504 HydrophobicContact CE1-CB 4.14Å; F436-V504 HydrophobicContact CE1-CG1 4.31Å; F436-V504 HydrophobicContact CE2-CG1 4.3Å; F436-V504 HydrophobicContact CZ-CB 3.71Å; F436-V504 HydrophobicContact CZ-CG1 3.78Å; F436-Y523 HydrophobicContact CZ-CE2 4.21Å
437	V	98.9	Very high	94.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.7	-176.7	179.3	0	0	0	0	109.4	V316 V329 F415 A417 I418 V444 L445 F447	V316-V437 HydrophobicContact CG2-CG1 4.32Å; V329-V437 HydrophobicContact CG2-CG2 3.94Å; F415-V437 HydrophobicContact CB-CG1 3.72Å; F415-V437 HydrophobicContact CD1-CG1 3.5Å; F415-V437 HydrophobicContact CD2-CG1 3.78Å; F415-V437 HydrophobicContact CE1-CG1 3.97Å; F415-V437 HydrophobicContact CE2-CG1 4.26Å; F415-V437 HydrophobicContact CG-CG1 3.39Å; F415-V437 HydrophobicContact CZ-CG1 4.34Å; A417-V437 CarbonylContact O-C 3.49Å; A417-V437 WeakPolarHBondContact O-CA 3.48Å; I418-V437 HydrophobicContact CD1-CG2 4.48Å; I418-V437 HydrophobicContact CG1-CG2 4.47Å; V437-V444 CarbonylContact O-C 3.58Å; V437-V444 WeakPolarHBondContact O-CA 3.49Å; V437-L445 HydrophobicContact CB-CB 4.5Å; V437-L445 PolarHBondContact N-O 3.15Å; V437-L445 PolarHBondContact O-N 3.15Å; V437-F447 HydrophobicContact CB-CD2 4.49Å; V437-F447 HydrophobicContact CB-CE2 4.16Å; V437-F447 HydrophobicContact CG2-CD2 4.02Å; V437-F447 HydrophobicContact CG2-CE2 4.05Å
438	G	98.6	Very high	94.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	154.1	176.2	0	0	0	0	0	111.6	F415 T416 A417 S443 L476	F415-G438 CarbonylContact C-O 3.58Å; F415-G438 WeakPolarHBondContact CA-O 3.22Å; T416-G438 PolarHBondContact N-O 3.32Å; T416-G438 VanDerWaalsContact OG1-C 3.32Å; T416-G438 PolarHBondContact OG1-O 3.31Å; A417-G438 PolarHBondContact O-N 2.93Å; G438-S443 CarbonylContact C-O 3.46Å; G438-S443 WeakPolarHBondContact CA-O 3.42Å; G438-L476 VanDerWaalsContact N-CD1 3.32Å
439	T	98.2	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	162.8	177.9	71	0	0	0	0	113.6	Y413 Q414 F415 S441 G442 S443 L445 V473	Y413-T439 HydrophobicContact CD2-CG2 3.53Å; Y413-T439 HydrophobicContact CE2-CG2 4Å; Y413-T439 HydrophobicContact CG-CG2 3.86Å; Q414-T439 CarbonylContact O-C 3.53Å; Q414-T439 VanDerWaalsContact O-CA 3.24Å; Q414-T439 WeakPolarHBondContact O-CA 3.42Å; F415-T439 HydrophobicContact CD1-CG2 4.29Å; T439-S441 PolarHBondContact O-N 2.87Å; T439-S441 PolarHBondContact OG1-N 2.84Å; T439-S441 PolarHBondContact OG1-OG 2.78Å; T439-G442 PolarHBondContact O-N 2.87Å; T439-G442 PolarHBondContact OG1-N 3.25Å; T439-S443 PolarHBondContact N-O 2.66Å; T439-S443 WeakPolarHBondContact OG1-CB 3.22Å; T439-S443 PolarHBondContact OG1-N 2.93Å; T439-S443 PolarHBondContact OG1-O 2.84Å; T439-L445 HydrophobicContact CG2-CD1 3.22Å; T439-V473 PolarHBondContact O-N 2.9Å
440	D	96.4	Very high	95.4	Very high	51 Å²	51	17.9 Å²	17.9	27%	0.273	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.9	169.2	65.2	-10.1	0	0	0	113.8	Y413 Q414 T416 P472	Y413-D440 WeakPolarHBondContact CA-OD1 3.37Å; Y413-D440 WeakPolarHBondContact CB-OD1 3.44Å; Q414-D440 VanDerWaalsContact N-CG 3.35Å; Q414-D440 PolarHBondContact N-OD1 2.97Å; Q414-D440 PolarHBondContact N-OD2 3.35Å; Q414-D440 PolarHBondContact O-N 3.27Å; T416-D440 HydrophobicContact CG2-CB 3.83Å; D440-P472 WeakPolarHBondContact O-CG 3.36Å
441	S	95.4	Very high	95.3	Very high	33 Å²	33	16.3 Å²	16.3	23%	0.231	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6	174.2	63.8	0	0	0	0	114.4	Y413 T439 R470	Y413-S441 WeakPolarHBondContact CB-OG 3.43Å; T439-S441 PolarHBondContact O-N 2.87Å; T439-S441 PolarHBondContact OG1-N 2.84Å; T439-S441 PolarHBondContact OG1-OG 2.78Å; S441-R470 CarbonylContact C-O 3.57Å; S441-R470 WeakPolarHBondContact O-CA 3.46Å; S441-R470 WeakPolarHBondContact O-CB 3.49Å
442	G	96	Very high	94.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	8%	0.084	C	C	.	.	S	Bend	trans	78.4	19.3	177.9	0	0	0	0	0	115.2	T439 V466 S471	T439-G442 PolarHBondContact O-N 2.87Å; T439-G442 PolarHBondContact OG1-N 3.25Å; G442-V466 PolarHBondContact O-N 2.83Å; G442-V466 VanDerWaalsContact O-N 3.13Å; G442-S471 WeakPolarHBondContact CA-O 3.27Å
443	S	96.6	Very high	93.8	Very high	23 Å²	23	16.8 Å²	16.8	16%	0.161	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	157.2	174.8	-58.1	0	0	0	0	111.6	G438 T439 V464	G438-S443 CarbonylContact C-O 3.46Å; G438-S443 WeakPolarHBondContact CA-O 3.42Å; T439-S443 PolarHBondContact N-O 2.66Å; T439-S443 WeakPolarHBondContact OG1-CB 3.22Å; T439-S443 PolarHBondContact OG1-N 2.93Å; T439-S443 PolarHBondContact OG1-O 2.84Å; S443-V464 CarbonylContact C-O 3.57Å; S443-V464 VanDerWaalsContact CA-O 3.25Å; S443-V464 WeakPolarHBondContact CA-O 3.4Å
444	V	98.4	Very high	93.5	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.036	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129	168.5	172.4	0	0	0	0	109.4	F436 V437 V464 V466 V473 L476 L491 I493	F436-V444 HydrophobicContact CB-CG1 4.29Å; F436-V444 HydrophobicContact CD1-CG1 4.49Å; V437-V444 CarbonylContact O-C 3.58Å; V437-V444 WeakPolarHBondContact O-CA 3.49Å; V444-V464 PolarHBondContact N-O 3.11Å; V444-V464 PolarHBondContact O-N 3.23Å; V444-V466 HydrophobicContact CB-CG2 4.04Å; V444-V466 HydrophobicContact CG2-CG2 3.62Å; V444-V473 HydrophobicContact CG2-CG2 4.32Å; V444-L476 HydrophobicContact CG2-CD2 3.9Å; V444-L491 HydrophobicContact CG1-CD2 3.74Å; V444-I493 HydrophobicContact CG2-CG1 4.18Å; V444-I493 HydrophobicContact CG2-CG2 4.37Å
445	L	98.3	Very high	93.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.7	177.9	-62.6	89.9	0	0	0	109.4	Y413 F415 F436 V437 T439 F447 L460 T463	Y413-L445 HydrophobicContact CE2-CD1 4.45Å; Y413-L445 HydrophobicContact CE2-CD2 4.4Å; F415-L445 HydrophobicContact CE1-CD1 4.19Å; F415-L445 HydrophobicContact CE1-CD2 4.21Å; F436-L445 CarbonylContact C-O 3.57Å; F436-L445 WeakPolarHBondContact CA-O 3.19Å; V437-L445 HydrophobicContact CB-CB 4.5Å; V437-L445 PolarHBondContact N-O 3.15Å; V437-L445 PolarHBondContact O-N 3.15Å; T439-L445 HydrophobicContact CG2-CD1 3.22Å; L445-F447 HydrophobicContact CB-CD2 4.1Å; L445-F447 HydrophobicContact CB-CE2 3.33Å; L445-F447 HydrophobicContact CB-CZ 3.81Å; L445-F447 HydrophobicContact CD2-CE2 4.05Å; L445-F447 HydrophobicContact CD2-CZ 3.69Å; L445-F447 HydrophobicContact CG-CE2 4.3Å; L445-F447 HydrophobicContact CG-CZ 4.4Å; L445-L460 HydrophobicContact CB-CD1 3.84Å; L445-L460 HydrophobicContact CD2-CD1 4.14Å; L445-L460 HydrophobicContact CD2-CD2 4.14Å; L445-L460 HydrophobicContact CG-CD1 4.38Å; L445-T463 HydrophobicContact CG-CG2 4.45Å
446	K	98.1	Very high	92.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.9	179.6	-178.3	-175.8	176.5	176.1	0	110.4	V434 L435 F436 L460 V461 E462 V504 D521 Y523	V434-K446 HydrophobicContact CG1-CD 4.33Å; V434-K446 HydrophobicContact CG1-CG 3.9Å; L435-K446 CarbonylContact O-C 3.6Å; L435-K446 WeakPolarHBondContact O-CA 3.26Å; F436-K446 HydrophobicContact CD1-CB 4.26Å; F436-K446 HydrophobicContact CD1-CG 4.14Å; F436-K446 HydrophobicContact CE1-CB 4.3Å; F436-K446 HydrophobicContact CE1-CD 3.89Å; F436-K446 HydrophobicContact CE1-CG 3.79Å; F436-K446 HydrophobicContact CZ-CG 4.46Å; K446-L460 CarbonylContact O-C 3.52Å; K446-L460 WeakPolarHBondContact O-CD1 3.4Å; K446-V461 HydrophobicContact CB-CB 4.43Å; K446-V461 HydrophobicContact CD-CB 4.09Å; K446-V461 HydrophobicContact CD-CG1 3.94Å; K446-V461 HydrophobicContact CG-CB 4.15Å; K446-V461 PolarHBondContact O-N 3.43Å; K446-E462 HydrophobicContact CB-CG 3.69Å; K446-E462 HydrophobicContact CD-CG 3.85Å; K446-E462 HydrophobicContact CG-CG 4.44Å; K446-E462 PolarHBondContact N-O 2.59Å; K446-V504 PolarHBondContact NZ-O 2.94Å; K446-D521 IonicContact NZ-OD1 3.91Å; K446-D521 PolarHBondContact NZ-OD1 2.88Å; K446-D521 IonicContact NZ-OD2 2.66Å; K446-D521 PolarHBondContact NZ-OD2 2.9Å; K446-Y523 VanDerWaalsContact NZ-CE2 3.33Å
447	F	98	Very high	92.5	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.5	-177.2	-60.8	-87.9	0	0	0	112.5	L30 I406 F415 L435 V437 L445 T458 V459 L460	L30-F447 HydrophobicContact CD1-CD1 3.94Å; L30-F447 HydrophobicContact CD1-CE1 3.82Å; I406-F447 HydrophobicContact CD1-CB 3.69Å; I406-F447 HydrophobicContact CD1-CD1 3.82Å; I406-F447 HydrophobicContact CD1-CD2 3.42Å; I406-F447 VanDerWaalsContact CD1-CD2 3.42Å; I406-F447 HydrophobicContact CD1-CE1 4.21Å; I406-F447 HydrophobicContact CD1-CE2 3.85Å; I406-F447 HydrophobicContact CD1-CG 3.38Å; I406-F447 HydrophobicContact CD1-CZ 4.23Å; I406-F447 HydrophobicContact CG1-CB 4.35Å; I406-F447 HydrophobicContact CG1-CD1 3.81Å; I406-F447 HydrophobicContact CG1-CD2 4.28Å; I406-F447 HydrophobicContact CG1-CE1 4.03Å; I406-F447 HydrophobicContact CG1-CE2 4.47Å; I406-F447 HydrophobicContact CG1-CG 3.92Å; I406-F447 HydrophobicContact CG1-CZ 4.36Å; I406-F447 HydrophobicContact CG2-CD1 4.44Å; I406-F447 HydrophobicContact CG2-CE1 3.8Å; I406-F447 HydrophobicContact CG2-CE2 4.25Å; I406-F447 HydrophobicContact CG2-CZ 3.69Å; F415-F447 HydrophobicContact CZ-CZ 4.33Å; L435-F447 HydrophobicContact CB-CB 4.33Å; L435-F447 PolarHBondContact N-O 2.96Å; L435-F447 PolarHBondContact O-N 3.15Å; V437-F447 HydrophobicContact CB-CD2 4.49Å; V437-F447 HydrophobicContact CB-CE2 4.16Å; V437-F447 HydrophobicContact CG2-CD2 4.02Å; V437-F447 HydrophobicContact CG2-CE2 4.05Å; L445-F447 HydrophobicContact CB-CD2 4.1Å; L445-F447 HydrophobicContact CB-CE2 3.33Å; L445-F447 HydrophobicContact CB-CZ 3.81Å; L445-F447 HydrophobicContact CD2-CE2 4.05Å; L445-F447 HydrophobicContact CD2-CZ 3.69Å; L445-F447 HydrophobicContact CG-CE2 4.3Å; L445-F447 HydrophobicContact CG-CZ 4.4Å; F447-T458 HydrophobicContact CB-CG2 3.86Å; F447-T458 HydrophobicContact CD1-CG2 3.88Å; F447-T458 HydrophobicContact CG-CG2 4.29Å; F447-V459 VanDerWaalsContact CA-O 3.27Å; F447-V459 WeakPolarHBondContact CA-O 3.13Å; F447-L460 HydrophobicContact CD1-CB 3.89Å; F447-L460 HydrophobicContact CD1-CD1 3.89Å; F447-L460 HydrophobicContact CD1-CG 4.41Å; F447-L460 HydrophobicContact CD2-CD1 4.45Å; F447-L460 HydrophobicContact CE1-CB 3.7Å; F447-L460 HydrophobicContact CE1-CD1 3.57Å; F447-L460 HydrophobicContact CE1-CD2 4.2Å; F447-L460 HydrophobicContact CE1-CG 3.98Å; F447-L460 HydrophobicContact CE2-CD1 4.18Å; F447-L460 HydrophobicContact CG-CD1 4.34Å; F447-L460 HydrophobicContact CZ-CD1 3.73Å; F447-L460 HydrophobicContact CZ-CD2 4.46Å; F447-L460 HydrophobicContact CZ-CG 4.46Å
448	V	95.3	Very high	92.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	125.5	171.7	-179.2	0	0	0	0	108.6	Y432 V434 V450 T458 V459 V461 P522 V563	Y432-V448 HydrophobicContact CD1-CG1 3.72Å; Y432-V448 HydrophobicContact CG-CG1 3.9Å; V434-V448 HydrophobicContact CB-CG2 4.5Å; V434-V448 HydrophobicContact CG1-CG2 4.29Å; V434-V448 HydrophobicContact CG2-CG2 4.06Å; V448-V450 HydrophobicContact CG1-CG1 4.24Å; V448-T458 WeakPolarHBondContact O-CA 3.35Å; V448-V459 PolarHBondContact N-O 3.39Å; V448-V459 PolarHBondContact O-N 3.41Å; V448-V461 HydrophobicContact CB-CG2 4.36Å; V448-V461 HydrophobicContact CG2-CG2 3.84Å; V448-P522 HydrophobicContact CG1-CG 4.07Å; V448-P522 HydrophobicContact CG2-CG 3.83Å; V448-V563 HydrophobicContact CG1-CG1 3.99Å
449	N	93.5	Very high	92.2	Very high	7 Å²	7	33 Å²	33	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.6	167.9	-172.5	43.1	0	0	0	108.4	L405 Y432 E451 R455 N457	L405-N449 HydrophobicContact CD2-CB 3.88Å; Y432-N449 WeakPolarHBondContact CD1-O 3.14Å; N449-E451 PolarHBondContact ND2-O 3.37Å; N449-R455 PolarHBondContact ND2-O 3.29Å; N449-N457 VanDerWaalsContact OD1-C 3.31Å; N449-N457 PolarHBondContact OD1-N 3.48Å; N449-N457 PolarHBondContact OD1-O 2.72Å
450	V	90.3	Very high	92.1	Very high	11 Å²	11	33.2 Å²	33.2	7%	0.067	17%	0.173	C	C	.	.			trans	-91.9	-11.1	-169.7	-55.6	0	0	0	0	114.2	Y432 V448 N457 V459 V563 A564	Y432-V450 HydrophobicContact CE1-CB 4.4Å; V448-V450 HydrophobicContact CG1-CG1 4.24Å; V450-N457 HydrophobicContact CG2-CB 4.12Å; V450-N457 WeakPolarHBondContact CG2-O 3.12Å; V450-N457 PolarHBondContact N-O 2.95Å; V450-V459 HydrophobicContact CG1-CB 4.41Å; V450-V459 HydrophobicContact CG1-CG2 3.74Å; V450-V563 HydrophobicContact CG1-CG1 4.01Å; V450-A564 HydrophobicContact CB-CB 4.15Å; V450-A564 HydrophobicContact CG2-CB 4.24Å
451	E	84.1	Confident	92.2	Very high	69 Å²	69	30.8 Å²	30.8	32%	0.322	16%	0.16	S	C	.	.	S	Bend	trans	-86.1	128.2	175.8	-68.6	-83.6	161.3	0	0	110.3	N449 R455 N457	N449-E451 PolarHBondContact ND2-O 3.37Å; E451-R455 HydrophobicContact CB-CB 3.91Å; E451-R455 HydrophobicContact CG-CB 4.26Å; E451-N457 HydrophobicContact CB-CB 4.43Å; E451-N457 HydrophobicContact CG-CB 3.41Å; E451-N457 VanDerWaalsContact CG-CB 3.41Å
452	G	72.1	Confident	92.2	Very high	46 Å²	46	29.5 Å²	29.5	47%	0.474	15%	0.15	S	C	.	.	S	Bend	trans	-77.3	142.7	164.8	0	0	0	0	0	109.5
453	D	76.4	Confident	92.2	Very high	90 Å²	90	30.4 Å²	30.4	48%	0.481	16%	0.155	S	C	.	.	S	Bend	trans	92.6	-168.6	-170	-157.2	7.5	0	0	0	113.7	H306 R455	H306-D453 PolarHBondContact CE1-O 2.95Å; H306-D453 VanDerWaalsContact CE1-O 3.29Å; H306-D453 PolarHBondContact ND1-O 2.71Å; D453-R455 PolarHBondContact O-N 2.78Å
454	R	86.2	Confident	92.2	Very high	105 Å²	105	29.5 Å²	29.5	40%	0.396	15%	0.149	S	C	.	.	S	Bend	trans	-77.4	9.6	-178.2	-63.9	-175.1	177.1	-155.9	-3	114.7	Y400	Y400-R454 HydrophobicContact CE1-CG 4.27Å; Y400-R454 WeakPolarHBondContact O-CD 3.37Å
455	R	89.2	Confident	92.1	Very high	164 Å²	164	30.8 Å²	30.8	62%	0.619	16%	0.163	S	C	*	.			trans	-81.2	151.3	179.1	-66.9	-177.9	-174.8	170.3	3.1	111.2	N449 E451 D453	N449-R455 PolarHBondContact ND2-O 3.29Å; E451-R455 HydrophobicContact CB-CB 3.91Å; E451-R455 HydrophobicContact CG-CB 4.26Å; D453-R455 PolarHBondContact O-N 2.78Å
456	V	90.8	Very high	91.9	Very high	20 Å²	20	30.8 Å²	30.8	12%	0.121	16%	0.163	C	C	.	.			trans	-113.6	116.4	179.4	-177.1	0	0	0	0	109.6	N27 F401 Q403 L405	N27-V456 HydrophobicContact CB-CG1 3.87Å; F401-V456 HydrophobicContact CB-CG2 3.6Å; F401-V456 HydrophobicContact CD1-CG2 4.34Å; F401-V456 HydrophobicContact CG-CG2 4.15Å; Q403-V456 HydrophobicContact CG-CB 4.3Å; Q403-V456 HydrophobicContact CG-CG2 3.7Å; L405-V456 HydrophobicContact CD2-CG1 4.16Å; L405-V456 HydrophobicContact CD2-CG2 4.08Å
457	N	92	Very high	91.2	Very high	39 Å²	39	31.1 Å²	31.1	21%	0.209	17%	0.165	C	C	.	.			trans	-144.6	88	165.5	-172.4	23.4	0	0	0	106.4	N449 V450 E451	N449-N457 VanDerWaalsContact OD1-C 3.31Å; N449-N457 PolarHBondContact OD1-N 3.48Å; N449-N457 PolarHBondContact OD1-O 2.72Å; V450-N457 HydrophobicContact CG2-CB 4.12Å; V450-N457 WeakPolarHBondContact CG2-O 3.12Å; V450-N457 PolarHBondContact N-O 2.95Å; E451-N457 HydrophobicContact CB-CB 4.43Å; E451-N457 HydrophobicContact CG-CB 3.41Å; E451-N457 VanDerWaalsContact CG-CB 3.41Å
458	T	95.3	Very high	90.5	Very high	5 Å²	5	36 Å²	36	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.9	-173	-55.2	0	0	0	0	110.3	L30 L405 I406 F447 V448	L30-T458 HydrophobicContact CD1-CG2 3.97Å; L30-T458 WeakPolarHBondContact CD1-O 3.44Å; L30-T458 VanDerWaalsContact CD2-O 3.3Å; L30-T458 WeakPolarHBondContact CD2-O 3.44Å; L405-T458 WeakPolarHBondContact O-CB 3.47Å; L405-T458 PolarHBondContact O-OG1 3.49Å; I406-T458 HydrophobicContact CD1-CG2 4.45Å; I406-T458 HydrophobicContact CG1-CG2 3.82Å; F447-T458 HydrophobicContact CB-CG2 3.86Å; F447-T458 HydrophobicContact CD1-CG2 3.88Å; F447-T458 HydrophobicContact CG-CG2 4.29Å; V448-T458 WeakPolarHBondContact O-CA 3.35Å
459	V	95.1	Very high	90	Very high	18 Å²	18	38.9 Å²	38.9	11%	0.109	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.5	172.4	177.9	0	0	0	0	108.7	V33 F447 V448 V450 V461 Q520	V33-V459 HydrophobicContact CG2-CG1 3.93Å; F447-V459 VanDerWaalsContact CA-O 3.27Å; F447-V459 WeakPolarHBondContact CA-O 3.13Å; V448-V459 PolarHBondContact N-O 3.39Å; V448-V459 PolarHBondContact O-N 3.41Å; V450-V459 HydrophobicContact CG1-CB 4.41Å; V450-V459 HydrophobicContact CG1-CG2 3.74Å; V459-V461 HydrophobicContact CG1-CG2 4.24Å; V459-V461 PolarHBondContact O-N 2.93Å; V459-Q520 HydrophobicContact CG1-CB 4.13Å
460	L	97.1	Very high	89.9	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	95.4	164.5	176.9	51.7	0	0	0	108.1	L30 P32 V33 L445 K446 F447 E462	L30-L460 HydrophobicContact CB-CB 3.73Å; L30-L460 HydrophobicContact CB-CD2 4.34Å; L30-L460 HydrophobicContact CD1-CB 4.35Å; L30-L460 WeakPolarHBondContact O-CD2 3.36Å; P32-L460 WeakPolarHBondContact CA-O 3.48Å; P32-L460 HydrophobicContact CB-CD2 3.79Å; P32-L460 HydrophobicContact CB-CG 3.84Å; P32-L460 HydrophobicContact CG-CD2 4.36Å; V33-L460 PolarHBondContact N-O 3.26Å; L445-L460 HydrophobicContact CB-CD1 3.84Å; L445-L460 HydrophobicContact CD2-CD1 4.14Å; L445-L460 HydrophobicContact CD2-CD2 4.14Å; L445-L460 HydrophobicContact CG-CD1 4.38Å; K446-L460 CarbonylContact O-C 3.52Å; K446-L460 WeakPolarHBondContact O-CD1 3.4Å; F447-L460 HydrophobicContact CD1-CB 3.89Å; F447-L460 HydrophobicContact CD1-CD1 3.89Å; F447-L460 HydrophobicContact CD1-CG 4.41Å; F447-L460 HydrophobicContact CD2-CD1 4.45Å; F447-L460 HydrophobicContact CE1-CB 3.7Å; F447-L460 HydrophobicContact CE1-CD1 3.57Å; F447-L460 HydrophobicContact CE1-CD2 4.2Å; F447-L460 HydrophobicContact CE1-CG 3.98Å; F447-L460 HydrophobicContact CE2-CD1 4.18Å; F447-L460 HydrophobicContact CG-CD1 4.34Å; F447-L460 HydrophobicContact CZ-CD1 3.73Å; F447-L460 HydrophobicContact CZ-CD2 4.46Å; F447-L460 HydrophobicContact CZ-CG 4.46Å; L460-E462 WeakPolarHBondContact CD1-O 3.42Å
461	V	97	Very high	90.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-47.4	-175.7	174.3	0	0	0	0	110.6	V33 Q34 K446 V448 V459 D521	V33-V461 WeakPolarHBondContact CB-O 3.05Å; Q34-V461 PolarHBondContact N-O 3.02Å; K446-V461 HydrophobicContact CB-CB 4.43Å; K446-V461 HydrophobicContact CD-CB 4.09Å; K446-V461 HydrophobicContact CD-CG1 3.94Å; K446-V461 HydrophobicContact CG-CB 4.15Å; K446-V461 PolarHBondContact O-N 3.43Å; V448-V461 HydrophobicContact CB-CG2 4.36Å; V448-V461 HydrophobicContact CG2-CG2 3.84Å; V459-V461 HydrophobicContact CG1-CG2 4.24Å; V459-V461 PolarHBondContact O-N 2.93Å; V461-D521 HydrophobicContact CG1-CB 3.82Å
462	E	96.1	Very high	90.7	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	154.6	176.8	62.3	-173.9	-153	0	0	113.2	Q34 I36 K446 L460 V464 H506	Q34-E462 HydrophobicContact CG-CB 3.56Å; Q34-E462 PolarHBondContact NE2-OE2 2.87Å; Q34-E462 CarbonylContact O-C 3.53Å; Q34-E462 WeakPolarHBondContact O-CA 3.5Å; I36-E462 HydrophobicContact CD1-CB 4.41Å; I36-E462 VanDerWaalsContact CD1-OE2 3.28Å; I36-E462 WeakPolarHBondContact CD1-OE2 3.41Å; K446-E462 HydrophobicContact CB-CG 3.69Å; K446-E462 HydrophobicContact CD-CG 3.85Å; K446-E462 HydrophobicContact CG-CG 4.44Å; K446-E462 PolarHBondContact N-O 2.59Å; L460-E462 WeakPolarHBondContact CD1-O 3.42Å; E462-V464 HydrophobicContact CG-CG2 4.3Å; E462-H506 IonicContact OE1-CE1 3.3Å; E462-H506 PolarHBondContact OE1-CE1 2.79Å; E462-H506 IonicContact OE1-ND1 3.33Å; E462-H506 PolarHBondContact OE1-ND1 3.46Å; E462-H506 IonicContact OE2-CG 3.14Å; E462-H506 IonicContact OE2-ND1 2.78Å; E462-H506 PolarHBondContact OE2-ND1 2.84Å; E462-H506 VanDerWaalsContact OE2-ND1 3.14Å
463	T	96.9	Very high	92	Very high	20 Å²	20	45.4 Å²	45.4	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.6	165.9	-61.8	0	0	0	0	109	Q34 T35 I36 L445	Q34-T463 PolarHBondContact O-N 3.43Å; T35-T463 CarbonylContact C-O 3.56Å; T35-T463 WeakPolarHBondContact CA-O 3.43Å; I36-T463 PolarHBondContact N-O 2.91Å; L445-T463 HydrophobicContact CG-CG2 4.45Å
464	V	96.6	Very high	93	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120	179.5	-171.5	0	0	0	0	109.6	I36 S443 V444 E462 V466 M502	I36-V464 HydrophobicContact CB-CG1 4.41Å; I36-V464 HydrophobicContact CB-CG2 4.17Å; I36-V464 HydrophobicContact CD1-CG2 4.48Å; I36-V464 HydrophobicContact CG2-CG1 4.41Å; I36-V464 WeakPolarHBondContact O-CA 3.41Å; S443-V464 CarbonylContact C-O 3.57Å; S443-V464 VanDerWaalsContact CA-O 3.25Å; S443-V464 WeakPolarHBondContact CA-O 3.4Å; V444-V464 PolarHBondContact N-O 3.11Å; V444-V464 PolarHBondContact O-N 3.23Å; E462-V464 HydrophobicContact CG-CG2 4.3Å; V464-V466 HydrophobicContact CG1-CG2 4.42Å; V464-V466 PolarHBondContact O-N 3.41Å; V464-M502 HydrophobicContact CG1-CE 3.92Å; V464-M502 HydrophobicContact CG1-SD 4.21Å; V464-M502 HydrophobicContact CG2-CE 4.28Å
465	G	95.1	Very high	93.6	Very high	32 Å²	32	43.3 Å²	43.3	33%	0.33	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	105.5	165.1	0	0	0	0	0	109.4	I36 G38	I36-G465 PolarHBondContact O-N 2.76Å; G38-G465 WeakPolarHBondContact CA-O 3.19Å; G38-G465 PolarHBondContact N-O 3.41Å
466	V	93.9	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.			trans	-79.4	-54.3	-166	-175.6	0	0	0	0	112	G442 V444 V464 I493 K500	G442-V466 PolarHBondContact O-N 2.83Å; G442-V466 VanDerWaalsContact O-N 3.13Å; V444-V466 HydrophobicContact CB-CG2 4.04Å; V444-V466 HydrophobicContact CG2-CG2 3.62Å; V464-V466 HydrophobicContact CG1-CG2 4.42Å; V464-V466 PolarHBondContact O-N 3.41Å; V466-I493 HydrophobicContact CG1-CB 4.41Å; V466-I493 HydrophobicContact CG1-CD1 4.23Å; V466-I493 HydrophobicContact CG1-CG2 4.29Å; V466-K500 HydrophobicContact CG1-CB 3.82Å; V466-K500 HydrophobicContact CG1-CD 4.45Å; V466-K500 HydrophobicContact CG1-CG 3.8Å
467	F	85.1	Confident	94.3	Very high	10 Å²	10	38.5 Å²	38.5	4%	0.044	20%	0.204	C	C	.	.			trans	-113.3	137.7	-174.9	-55.8	-82.8	0	0	0	111	Y44 S469 R470 I493 T495 E498 K500	Y44-F467 HydrophobicContact CD2-CD1 4.38Å; Y44-F467 HydrophobicContact CD2-CE1 4.12Å; Y44-F467 AromaticContact CE2-CD1 3.96Å; Y44-F467 HydrophobicContact CE2-CD1 3.96Å; Y44-F467 AromaticContact CE2-CE1 3.96Å; Y44-F467 HydrophobicContact CE2-CE1 3.96Å; F467-S469 VanDerWaalsContact CB-OG 3.3Å; F467-S469 WeakPolarHBondContact CB-OG 3.47Å; F467-S469 PolarHBondContact O-N 2.73Å; F467-R470 PolarHBondContact O-N 3.4Å; F467-R470 VanDerWaalsContact O-N 3.11Å; F467-I493 HydrophobicContact CE2-CB 4.48Å; F467-I493 HydrophobicContact CE2-CG2 3.79Å; F467-I493 HydrophobicContact CZ-CG2 4.28Å; F467-T495 HydrophobicContact CD2-CG2 3.59Å; F467-T495 HydrophobicContact CE2-CG2 3.33Å; F467-T495 HydrophobicContact CG-CG2 4.37Å; F467-T495 HydrophobicContact CZ-CG2 3.91Å; F467-E498 HydrophobicContact CD1-CB 3.91Å; F467-E498 HydrophobicContact CD1-CG 4.42Å; F467-E498 WeakPolarHBondContact CD1-OE1 3.37Å; F467-E498 HydrophobicContact CE1-CB 3.53Å; F467-E498 HydrophobicContact CE1-CG 4.49Å; F467-E498 HydrophobicContact CZ-CB 4.07Å; F467-K500 HydrophobicContact CE1-CB 3.74Å; F467-K500 HydrophobicContact CE1-CD 4.3Å; F467-K500 HydrophobicContact CZ-CB 3.59Å
468	P	81.8	Confident	94.5	Very high	104 Å²	104	37.4 Å²	37.4	68%	0.675	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.3	171.8	-23.8	33.9	0	0	0	113.3	A39 R470	A39-P468 HydrophobicContact CB-CG 3.96Å; P468-R470 PolarHBondContact O-N 3.3Å
469	S	85.5	Confident	94.3	Very high	62 Å²	62	37.2 Å²	37.2	43%	0.434	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.4	176.7	58.4	0	0	0	0	113.5	F467 S471 E498	F467-S469 VanDerWaalsContact CB-OG 3.3Å; F467-S469 WeakPolarHBondContact CB-OG 3.47Å; F467-S469 PolarHBondContact O-N 2.73Å; S469-S471 WeakPolarHBondContact CB-OG 3.39Å; S469-S471 PolarHBondContact O-N 2.8Å; S469-S471 PolarHBondContact OG-N 2.83Å; S469-S471 PolarHBondContact OG-OG 2.92Å; S469-E498 PolarHBondContact OG-OE2 3.28Å
470	R	92.2	Very high	93.6	Very high	192 Å²	192	38.1 Å²	38.1	73%	0.725	20%	0.204	S	C	*	.			trans	53.5	29.1	-172	-61.1	-174.8	179	-168.2	-1.9	112.9	S441 F467 P468	S441-R470 CarbonylContact C-O 3.57Å; S441-R470 WeakPolarHBondContact O-CA 3.46Å; S441-R470 WeakPolarHBondContact O-CB 3.49Å; F467-R470 PolarHBondContact O-N 3.4Å; F467-R470 VanDerWaalsContact O-N 3.11Å; P468-R470 PolarHBondContact O-N 3.3Å
471	S	94.3	Very high	92.3	Very high	38 Å²	38	38.3 Å²	38.3	27%	0.266	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-67.3	142	179.4	-65.7	0	0	0	0	111.6	G442 S469 V473	G442-S471 WeakPolarHBondContact CA-O 3.27Å; S469-S471 WeakPolarHBondContact CB-OG 3.39Å; S469-S471 PolarHBondContact O-N 2.8Å; S469-S471 PolarHBondContact OG-N 2.83Å; S469-S471 PolarHBondContact OG-OG 2.92Å; S471-V473 PolarHBondContact O-N 2.92Å
472	P	97.1	Very high	90.8	Very high	39 Å²	39	41.3 Å²	41.3	25%	0.253	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-53.5	132.1	179.2	-27.8	33.5	0	0	0	113	D440 R474	D440-P472 WeakPolarHBondContact O-CG 3.36Å; P472-R474 PolarHBondContact O-N 3.45Å
473	V	98.4	Very high	88.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-70.7	121.3	171.6	179.6	0	0	0	0	108.6	T416 A417 T439 V444 S471 L476 I493	T416-V473 VanDerWaalsContact CB-O 3.24Å; T416-V473 WeakPolarHBondContact CB-O 3.47Å; T416-V473 PolarHBondContact OG1-O 3.29Å; A417-V473 HydrophobicContact CB-CG1 4.15Å; T439-V473 PolarHBondContact O-N 2.9Å; V444-V473 HydrophobicContact CG2-CG2 4.32Å; S471-V473 PolarHBondContact O-N 2.92Å; V473-L476 HydrophobicContact CG1-CD2 3.81Å; V473-L476 HydrophobicContact CG1-CG 3.88Å; V473-I493 HydrophobicContact CG1-CG2 3.83Å; V473-I493 HydrophobicContact CG2-CG2 4.08Å
474	R	97.6	Very high	87.2	Confident	129 Å²	129	48.9 Å²	48.9	49%	0.487	28%	0.282	S	S	.	.			trans	-100	-29.6	-179.1	-61.9	-57	-167.9	-169.1	-3	113.3	P472 S494 D496	P472-R474 PolarHBondContact O-N 3.45Å; R474-S494 PolarHBondContact N-O 2.76Å; R474-D496 WeakPolarHBondContact CG-OD1 3.25Å; R474-D496 IonicContact CZ-OD2 3.64Å; R474-D496 IonicContact NE-OD1 3.3Å; R474-D496 PolarHBondContact NE-OD1 3.06Å; R474-D496 IonicContact NE-OD2 3.57Å; R474-D496 PolarHBondContact NE-OD2 3Å; R474-D496 IonicContact NH2-OD2 2.7Å; R474-D496 PolarHBondContact NH2-OD2 3.11Å
475	S	98.1	Very high	85.2	Confident	22 Å²	22	57.2 Å²	57.2	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	143.1	179.3	-167.2	0	0	0	0	111.2	S494	S475-S494 PolarHBondContact N-O 3Å; S475-S494 PolarHBondContact O-N 3.16Å
476	L	98.6	Very high	83.5	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.031	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.8	170.4	-68	178.2	0	0	0	108.5	A417 A419 F436 G438 V444 V473 L491 L492 I493	A417-L476 HydrophobicContact CB-CD1 4.38Å; A417-L476 HydrophobicContact CB-CG 4.15Å; A419-L476 HydrophobicContact CB-CB 3.59Å; F436-L476 HydrophobicContact CB-CD1 4.14Å; F436-L476 WeakPolarHBondContact O-CD1 3.3Å; G438-L476 VanDerWaalsContact N-CD1 3.32Å; V444-L476 HydrophobicContact CG2-CD2 3.9Å; V473-L476 HydrophobicContact CG1-CD2 3.81Å; V473-L476 HydrophobicContact CG1-CG 3.88Å; L476-L491 HydrophobicContact CB-CD1 4.47Å; L476-L491 HydrophobicContact CD2-CD2 4.06Å; L476-L491 HydrophobicContact CD2-CG 4.26Å; L476-L492 WeakPolarHBondContact CA-O 3.44Å; L476-I493 HydrophobicContact CD2-CB 3.99Å; L476-I493 HydrophobicContact CD2-CG1 3.51Å; L476-I493 HydrophobicContact CD2-CG2 3.83Å
477	K	97.3	Very high	82.2	Confident	77 Å²	77	66.8 Å²	66.8	34%	0.335	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130	171.1	-73.4	-64.1	-174.3	177.3	0	110.2	V58 V61 V479 L492	V58-K477 HydrophobicContact CG1-CG 4.35Å; V61-K477 HydrophobicContact CG2-CB 4.29Å; V61-K477 HydrophobicContact CG2-CG 4.26Å; K477-V479 HydrophobicContact CB-CG1 3.92Å; K477-L492 HydrophobicContact CB-CB 4.37Å; K477-L492 PolarHBondContact N-O 2.78Å; K477-L492 PolarHBondContact O-N 2.84Å
478	V	94.6	Very high	81.8	Confident	16 Å²	16	68.9 Å²	68.9	10%	0.097	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	122.5	167	-179.2	0	0	0	0	107	A419 H421 F436 V489 L491 Y540	A419-V478 HydrophobicContact CB-CG2 4.11Å; H421-V478 HydrophobicContact CB-CG1 4.14Å; H421-V478 HydrophobicContact CB-CG2 4.2Å; F436-V478 HydrophobicContact CD2-CG2 3.89Å; F436-V478 HydrophobicContact CE2-CG2 3.89Å; V478-V489 HydrophobicContact CG1-CG1 3.34Å; V478-L491 HydrophobicContact CG2-CD1 4.06Å; V478-Y540 HydrophobicContact CG1-CE2 4.25Å
479	V	91.5	Very high	82.1	Confident	1 Å²	1	64 Å²	64	1%	0.006	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.5	-174.1	-52.6	0	0	0	0	110.5	V61 L79 K477 A481 S490 L492 L501	V61-V479 HydrophobicContact CB-CG1 4.31Å; V61-V479 HydrophobicContact CG1-CB 3.98Å; V61-V479 HydrophobicContact CG1-CG1 3.49Å; V61-V479 VanDerWaalsContact CG1-CG1 3.49Å; V61-V479 HydrophobicContact CG2-CG1 3.92Å; L79-V479 HydrophobicContact CD1-CB 4.44Å; L79-V479 HydrophobicContact CD1-CG2 4.35Å; L79-V479 HydrophobicContact CD2-CG2 4.23Å; K477-V479 HydrophobicContact CB-CG1 3.92Å; V479-A481 PolarHBondContact O-N 2.85Å; V479-S490 PolarHBondContact N-O 3.05Å; V479-S490 PolarHBondContact O-N 3.46Å; V479-L492 HydrophobicContact CG1-CB 4.14Å; V479-L492 HydrophobicContact CG2-CB 4.39Å; V479-L501 HydrophobicContact CG2-CD1 3.51Å
480	P	80.6	Confident	82.5	Confident	38 Å²	38	61.3 Å²	61.3	25%	0.247	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.7	165.9	29.7	-31.2	0	0	0	108.6	Y540	P480-Y540 HydrophobicContact CB-CD1 4.01Å; P480-Y540 HydrophobicContact CB-CG 4.06Å; P480-Y540 HydrophobicContact CG-CD1 3.93Å; P480-Y540 HydrophobicContact CG-CE1 4.06Å; P480-Y540 HydrophobicContact CG-CG 4.42Å
481	A	69.4	Low	82.6	Confident	9 Å²	9	52.4 Å²	52.4	7%	0.074	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.2	170	0	0	0	0	0	108.7	V479 Q488 S490 L501	V479-A481 PolarHBondContact O-N 2.85Å; A481-Q488 PolarHBondContact N-O 3.46Å; A481-Q488 CarbonylContact O-C 3.56Å; A481-Q488 PolarHBondContact O-N 3.16Å; A481-S490 VanDerWaalsContact CB-OG 3.27Å; A481-S490 WeakPolarHBondContact CB-OG 3.26Å; A481-L501 HydrophobicContact CB-CD2 4.29Å
482	S	65.2	Low	82.8	Confident	62 Å²	62	50.7 Å²	50.7	43%	0.434	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.1	174.4	-55.8	0	0	0	0	108.8
483	D	56.9	Low	82.8	Confident	120 Å²	120	48.9 Å²	48.9	64%	0.642	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	94.1	164.3	-176.3	25.5	0	0	0	107.8	D485 K486	D483-D485 PolarHBondContact O-N 3.21Å; D483-K486 PolarHBondContact N-O 3.4Å; D483-K486 VanDerWaalsContact N-O 3.1Å; D483-K486 PolarHBondContact O-N 3.27Å; D483-K486 VanDerWaalsContact O-N 3.09Å
484	G	60.7	Low	82.8	Confident	65 Å²	65	48.9 Å²	48.9	67%	0.67	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-126.6	-168	0	0	0	0	0	111.9	K486	G484-K486 VanDerWaalsContact C-N 3.31Å
485	D	55.5	Low	82.8	Confident	179 Å²	179	42.9 Å²	42.9	96%	0.957	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.1	177.5	-72.8	-27	0	0	0	113.8	D483	D483-D485 PolarHBondContact O-N 3.21Å
486	K	60.3	Low	82.6	Confident	165 Å²	165	43.3 Å²	43.3	72%	0.717	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.2	-178.5	-66.6	-179.9	-176.4	171.4	0	110.3	D483 G484 Q488	D483-K486 PolarHBondContact N-O 3.4Å; D483-K486 VanDerWaalsContact N-O 3.1Å; D483-K486 PolarHBondContact O-N 3.27Å; D483-K486 VanDerWaalsContact O-N 3.09Å; G484-K486 VanDerWaalsContact C-N 3.31Å; K486-Q488 PolarHBondContact O-N 3.37Å
487	A	64.7	Low	82.5	Confident	68 Å²	68	44.6 Å²	44.6	56%	0.562	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	119.9	166.9	0	0	0	0	0	109.5
488	Q	77.8	Confident	82.3	Confident	55 Å²	55	41.9 Å²	41.9	26%	0.257	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.7	174.5	-177.4	170.5	41.3	0	0	109.4	A481 K486 H505	A481-Q488 PolarHBondContact N-O 3.46Å; A481-Q488 CarbonylContact O-C 3.56Å; A481-Q488 PolarHBondContact O-N 3.16Å; K486-Q488 PolarHBondContact O-N 3.37Å; Q488-H505 PolarHBondContact NE2-CE1 2.86Å; Q488-H505 PolarHBondContact NE2-NE2 2.77Å; Q488-H505 VanDerWaalsContact NE2-NE2 3.12Å
489	V	88.6	Confident	82.4	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.4	169.8	-177	0	0	0	0	108.2	V478 V504 L538 Y540	V478-V489 HydrophobicContact CG1-CG1 3.34Å; V489-V504 HydrophobicContact CB-CG2 4.01Å; V489-V504 HydrophobicContact CG1-CG1 3.98Å; V489-V504 HydrophobicContact CG1-CG2 4.04Å; V489-V504 WeakPolarHBondContact O-CG2 3.34Å; V489-V504 PolarHBondContact O-N 3.29Å; V489-L538 HydrophobicContact CB-CD1 4.21Å; V489-L538 HydrophobicContact CG2-CB 3.89Å; V489-L538 HydrophobicContact CG2-CD1 3.98Å; V489-Y540 HydrophobicContact CG2-CD2 4.4Å
490	S	92.6	Very high	82.6	Confident	5 Å²	5	41.5 Å²	41.5	4%	0.035	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.9	-179.5	-65.1	0	0	0	0	110.9	V479 A481 M502	V479-S490 PolarHBondContact N-O 3.05Å; V479-S490 PolarHBondContact O-N 3.46Å; A481-S490 VanDerWaalsContact CB-OG 3.27Å; A481-S490 WeakPolarHBondContact CB-OG 3.26Å; S490-M502 CarbonylContact C-O 3.59Å; S490-M502 VanDerWaalsContact CA-O 3.25Å; S490-M502 WeakPolarHBondContact CA-O 3.29Å; S490-M502 WeakPolarHBondContact CB-O 3.16Å
491	L	95.8	Very high	83.3	Confident	5 Å²	5	40 Å²	40	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.1	171.6	-167.2	68.7	0	0	0	108.7	A419 F436 V444 L476 V478 I493 L501 M502 V504	A419-L491 HydrophobicContact CB-CD1 4.27Å; F436-L491 HydrophobicContact CB-CD1 4Å; F436-L491 HydrophobicContact CB-CD2 4.02Å; F436-L491 HydrophobicContact CD1-CD1 4.36Å; F436-L491 HydrophobicContact CD1-CD2 3.81Å; F436-L491 HydrophobicContact CD2-CD1 4Å; F436-L491 HydrophobicContact CG-CD1 3.85Å; F436-L491 HydrophobicContact CG-CD2 3.98Å; V444-L491 HydrophobicContact CG1-CD2 3.74Å; L476-L491 HydrophobicContact CB-CD1 4.47Å; L476-L491 HydrophobicContact CD2-CD2 4.06Å; L476-L491 HydrophobicContact CD2-CG 4.26Å; V478-L491 HydrophobicContact CG2-CD1 4.06Å; L491-I493 HydrophobicContact CB-CD1 4.3Å; L491-I493 HydrophobicContact CD2-CD1 4.11Å; L491-I493 HydrophobicContact CD2-CG1 3.97Å; L491-I493 HydrophobicContact CG-CD1 4.15Å; L491-I493 HydrophobicContact CG-CG1 4.04Å; L491-I493 WeakPolarHBondContact O-CD1 3.4Å; L491-L501 WeakPolarHBondContact O-CA 3.4Å; L491-M502 PolarHBondContact N-O 2.93Å; L491-M502 PolarHBondContact O-N 2.66Å; L491-M502 VanDerWaalsContact O-N 3.09Å; L491-V504 HydrophobicContact CB-CG1 4.12Å
492	L	97.3	Very high	84.4	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.9	166.7	179.6	71.2	0	0	0	108.5	V58 V66 M82 L476 K477 V479 K500 L501	V58-L492 HydrophobicContact CG1-CD2 4.23Å; V58-L492 HydrophobicContact CG2-CD2 4.01Å; V66-L492 HydrophobicContact CB-CD2 4.19Å; V66-L492 HydrophobicContact CG1-CD2 4.31Å; V66-L492 HydrophobicContact CG2-CD2 3.69Å; M82-L492 HydrophobicContact CE-CD1 4.25Å; L476-L492 WeakPolarHBondContact CA-O 3.44Å; K477-L492 HydrophobicContact CB-CB 4.37Å; K477-L492 PolarHBondContact N-O 2.78Å; K477-L492 PolarHBondContact O-N 2.84Å; V479-L492 HydrophobicContact CG1-CB 4.14Å; V479-L492 HydrophobicContact CG2-CB 4.39Å; L492-K500 CarbonylContact C-O 3.03Å; L492-K500 WeakPolarHBondContact CA-O 3.18Å; L492-L501 HydrophobicContact CB-CD1 3.97Å; L492-L501 HydrophobicContact CD1-CD1 4.3Å
493	I	98.1	Very high	85.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.9	177.8	-52.4	106.3	0	0	0	108.7	V444 V466 F467 V473 L476 L491 L499 K500 M502	V444-I493 HydrophobicContact CG2-CG1 4.18Å; V444-I493 HydrophobicContact CG2-CG2 4.37Å; V466-I493 HydrophobicContact CG1-CB 4.41Å; V466-I493 HydrophobicContact CG1-CD1 4.23Å; V466-I493 HydrophobicContact CG1-CG2 4.29Å; F467-I493 HydrophobicContact CE2-CB 4.48Å; F467-I493 HydrophobicContact CE2-CG2 3.79Å; F467-I493 HydrophobicContact CZ-CG2 4.28Å; V473-I493 HydrophobicContact CG1-CG2 3.83Å; V473-I493 HydrophobicContact CG2-CG2 4.08Å; L476-I493 HydrophobicContact CD2-CB 3.99Å; L476-I493 HydrophobicContact CD2-CG1 3.51Å; L476-I493 HydrophobicContact CD2-CG2 3.83Å; L491-I493 HydrophobicContact CB-CD1 4.3Å; L491-I493 HydrophobicContact CD2-CD1 4.11Å; L491-I493 HydrophobicContact CD2-CG1 3.97Å; L491-I493 HydrophobicContact CG-CD1 4.15Å; L491-I493 HydrophobicContact CG-CG1 4.04Å; L491-I493 WeakPolarHBondContact O-CD1 3.4Å; I493-L499 CarbonylContact O-C 3.57Å; I493-L499 VanDerWaalsContact O-CA 3.32Å; I493-L499 WeakPolarHBondContact O-CA 3.43Å; I493-K500 HydrophobicContact CB-CB 4.26Å; I493-K500 HydrophobicContact CD1-CB 4.13Å; I493-K500 HydrophobicContact CD1-CG 4.48Å; I493-K500 PolarHBondContact N-O 2.83Å; I493-K500 PolarHBondContact O-N 3.49Å; I493-M502 HydrophobicContact CD1-CG 3.63Å; I493-M502 HydrophobicContact CD1-SD 3.82Å
494	S	97.4	Very high	87.4	Confident	1 Å²	1	33 Å²	33	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.6	177.3	-173.1	0	0	0	0	111	R474 S475 E498 L499	R474-S494 PolarHBondContact N-O 2.76Å; S475-S494 PolarHBondContact N-O 3Å; S475-S494 PolarHBondContact O-N 3.16Å; S494-E498 WeakPolarHBondContact CA-O 3.44Å; S494-L499 WeakPolarHBondContact OG-CD2 3.06Å
495	T	97	Very high	88.9	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.012	17%	0.168	C	C	.	.			trans	-103.7	-164.5	162.1	75.7	0	0	0	0	108.9	F56 F467 S497 E498	F56-T495 WeakPolarHBondContact CB-O 3.18Å; F467-T495 HydrophobicContact CD2-CG2 3.59Å; F467-T495 HydrophobicContact CE2-CG2 3.33Å; F467-T495 HydrophobicContact CG-CG2 4.37Å; F467-T495 HydrophobicContact CZ-CG2 3.91Å; T495-S497 VanDerWaalsContact C-N 3.31Å; T495-S497 PolarHBondContact OG1-N 3.41Å; T495-E498 HydrophobicContact CG2-CB 4.43Å; T495-E498 PolarHBondContact N-O 2.93Å; T495-E498 WeakPolarHBondContact OG1-CB 3.5Å; T495-E498 PolarHBondContact OG1-N 2.86Å
496	D	95.7	Very high	90.6	Very high	32 Å²	32	23.2 Å²	23.2	17%	0.171	13%	0.127	C	C	.	.	S	Bend	trans	-75.1	-16.2	173.6	-67.8	-45.6	0	0	0	113.3	T53 A54 F55 F56 R474	T53-D496 HydrophobicContact CG2-CB 3.68Å; A54-D496 CarbonylContact C-O 3.54Å; F55-D496 CarbonylContact C-O 3.6Å; F55-D496 WeakPolarHBondContact CA-O 3.42Å; F55-D496 PolarHBondContact N-O 2.84Å; F56-D496 PolarHBondContact N-O 3.32Å; R474-D496 WeakPolarHBondContact CG-OD1 3.25Å; R474-D496 IonicContact CZ-OD2 3.64Å; R474-D496 IonicContact NE-OD1 3.3Å; R474-D496 PolarHBondContact NE-OD1 3.06Å; R474-D496 IonicContact NE-OD2 3.57Å; R474-D496 PolarHBondContact NE-OD2 3Å; R474-D496 IonicContact NH2-OD2 2.7Å; R474-D496 PolarHBondContact NH2-OD2 3.11Å
497	S	95	Very high	92	Very high	33 Å²	33	15.4 Å²	15.4	23%	0.231	9%	0.093	C	C	.	.	S	Bend	trans	-142.7	0.7	-178.4	-59.1	0	0	0	0	114.7	A46 D47 A54 F56 T495	A46-S497 WeakPolarHBondContact CA-O 3.36Å; D47-S497 PolarHBondContact N-O 3.35Å; A54-S497 PolarHBondContact N-OG 2.98Å; F56-S497 VanDerWaalsContact CE2-O 3.26Å; F56-S497 WeakPolarHBondContact CE2-O 2.98Å; T495-S497 VanDerWaalsContact C-N 3.31Å; T495-S497 PolarHBondContact OG1-N 3.41Å
498	E	94.6	Very high	93	Very high	20 Å²	20	16.2 Å²	16.2	9%	0.093	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.1	-175.3	-56.5	170.4	91.9	0	0	111.2	Y44 F45 A46 F467 S469 S494 T495	Y44-E498 HydrophobicContact CE2-CB 4.12Å; Y44-E498 HydrophobicContact CE2-CG 4.22Å; Y44-E498 PolarHBondContact OH-OE1 2.95Å; F45-E498 CarbonylContact O-C 3.43Å; A46-E498 HydrophobicContact CB-CG 4.43Å; F467-E498 HydrophobicContact CD1-CB 3.91Å; F467-E498 HydrophobicContact CD1-CG 4.42Å; F467-E498 WeakPolarHBondContact CD1-OE1 3.37Å; F467-E498 HydrophobicContact CE1-CB 3.53Å; F467-E498 HydrophobicContact CE1-CG 4.49Å; F467-E498 HydrophobicContact CZ-CB 4.07Å; S469-E498 PolarHBondContact OG-OE2 3.28Å; S494-E498 WeakPolarHBondContact CA-O 3.44Å; T495-E498 HydrophobicContact CG2-CB 4.43Å; T495-E498 PolarHBondContact N-O 2.93Å; T495-E498 WeakPolarHBondContact OG1-CB 3.5Å; T495-E498 PolarHBondContact OG1-N 2.86Å
499	L	95.8	Very high	93.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.7	170.6	-58.8	172.5	0	0	0	109.7	Y44 F45 F56 V68 I77 I493 S494	Y44-L499 WeakPolarHBondContact CA-O 3.49Å; Y44-L499 WeakPolarHBondContact CD2-O 3.08Å; F45-L499 HydrophobicContact CB-CB 4.26Å; F45-L499 HydrophobicContact CD1-CD1 3.79Å; F45-L499 HydrophobicContact CD1-CG 4.25Å; F45-L499 PolarHBondContact N-O 3.4Å; F45-L499 PolarHBondContact O-N 3.4Å; F56-L499 HydrophobicContact CD2-CD1 4.45Å; F56-L499 HydrophobicContact CD2-CD2 4.11Å; F56-L499 HydrophobicContact CD2-CG 3.85Å; F56-L499 HydrophobicContact CE2-CD1 4.46Å; F56-L499 HydrophobicContact CE2-CG 4.06Å; V68-L499 HydrophobicContact CB-CD1 4.49Å; V68-L499 HydrophobicContact CG1-CD1 4.34Å; V68-L499 HydrophobicContact CG2-CD1 3.76Å; I77-L499 HydrophobicContact CD1-CD1 3.51Å; I493-L499 CarbonylContact O-C 3.57Å; I493-L499 VanDerWaalsContact O-CA 3.32Å; I493-L499 WeakPolarHBondContact O-CA 3.43Å; S494-L499 WeakPolarHBondContact OG-CD2 3.06Å
500	K	95.6	Very high	93.3	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.035	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.9	173.6	-161.5	83.1	173.7	168.6	0	109.3	A39 L41 L43 Y44 V466 F467 L492 I493	A39-K500 PolarHBondContact O-NZ 3.28Å; L41-K500 WeakPolarHBondContact O-CE 3.31Å; L41-K500 PolarHBondContact O-NZ 3.12Å; L43-K500 WeakPolarHBondContact O-CA 3.38Å; Y44-K500 HydrophobicContact CD2-CD 4Å; V466-K500 HydrophobicContact CG1-CB 3.82Å; V466-K500 HydrophobicContact CG1-CD 4.45Å; V466-K500 HydrophobicContact CG1-CG 3.8Å; F467-K500 HydrophobicContact CE1-CB 3.74Å; F467-K500 HydrophobicContact CE1-CD 4.3Å; F467-K500 HydrophobicContact CZ-CB 3.59Å; L492-K500 CarbonylContact C-O 3.03Å; L492-K500 WeakPolarHBondContact CA-O 3.18Å; I493-K500 HydrophobicContact CB-CB 4.26Å; I493-K500 HydrophobicContact CD1-CB 4.13Å; I493-K500 HydrophobicContact CD1-CG 4.48Å; I493-K500 PolarHBondContact N-O 2.83Å; I493-K500 PolarHBondContact O-N 3.49Å
501	L	95.2	Very high	93.2	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.7	169.8	-174.5	76.8	0	0	0	109.3	G42 L43 L79 M82 V479 A481 L491 L492	G42-L501 CarbonylContact C-O 3.53Å; G42-L501 VanDerWaalsContact CA-O 3.23Å; G42-L501 WeakPolarHBondContact CA-O 3.28Å; L43-L501 HydrophobicContact CB-CB 4.48Å; L43-L501 PolarHBondContact N-O 3.25Å; L43-L501 PolarHBondContact O-N 2.78Å; L79-L501 HydrophobicContact CB-CD2 4.26Å; L79-L501 HydrophobicContact CD2-CD1 4.28Å; L79-L501 HydrophobicContact CD2-CD2 4.24Å; L79-L501 WeakPolarHBondContact O-CD2 3.01Å; M82-L501 HydrophobicContact CE-CB 3.45Å; M82-L501 VanDerWaalsContact CE-CB 3.45Å; M82-L501 HydrophobicContact CE-CD1 4.49Å; M82-L501 HydrophobicContact CE-CD2 3.7Å; M82-L501 HydrophobicContact CE-CG 4.06Å; M82-L501 HydrophobicContact CG-CB 4.33Å; M82-L501 HydrophobicContact SD-CB 4.13Å; V479-L501 HydrophobicContact CG2-CD1 3.51Å; A481-L501 HydrophobicContact CB-CD2 4.29Å; L491-L501 WeakPolarHBondContact O-CA 3.4Å; L492-L501 HydrophobicContact CB-CD1 3.97Å; L492-L501 HydrophobicContact CD1-CD1 4.3Å
502	M	92.8	Very high	93.1	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151	-177.5	57.8	178	-65.7	0	0	111.8	V464 S490 L491 I493 H506	V464-M502 HydrophobicContact CG1-CE 3.92Å; V464-M502 HydrophobicContact CG1-SD 4.21Å; V464-M502 HydrophobicContact CG2-CE 4.28Å; S490-M502 CarbonylContact C-O 3.59Å; S490-M502 VanDerWaalsContact CA-O 3.25Å; S490-M502 WeakPolarHBondContact CA-O 3.29Å; S490-M502 WeakPolarHBondContact CB-O 3.16Å; L491-M502 PolarHBondContact N-O 2.93Å; L491-M502 PolarHBondContact O-N 2.66Å; L491-M502 VanDerWaalsContact O-N 3.09Å; I493-M502 HydrophobicContact CD1-CG 3.63Å; I493-M502 HydrophobicContact CD1-SD 3.82Å; M502-H506 WeakPolarHBondContact CE-CE1 3.47Å; M502-H506 WeakPolarHBondContact CE-NE2 3.44Å
503	P	91.9	Very high	92.9	Very high	36 Å²	36	31.7 Å²	31.7	23%	0.234	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	143.9	171	-28.1	37.4	0	0	0	112.4	H505	P503-H505 PolarHBondContact O-N 2.74Å
504	V	92.9	Very high	92.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	21%	0.209	C	C	.	.	S	Bend	trans	-75.2	1.6	176.3	-63.8	0	0	0	0	114.3	F436 K446 V489 L491 Y523	F436-V504 HydrophobicContact CE1-CB 4.14Å; F436-V504 HydrophobicContact CE1-CG1 4.31Å; F436-V504 HydrophobicContact CE2-CG1 4.3Å; F436-V504 HydrophobicContact CZ-CB 3.71Å; F436-V504 HydrophobicContact CZ-CG1 3.78Å; K446-V504 PolarHBondContact NZ-O 2.94Å; V489-V504 HydrophobicContact CB-CG2 4.01Å; V489-V504 HydrophobicContact CG1-CG1 3.98Å; V489-V504 HydrophobicContact CG1-CG2 4.04Å; V489-V504 WeakPolarHBondContact O-CG2 3.34Å; V489-V504 PolarHBondContact O-N 3.29Å; L491-V504 HydrophobicContact CB-CG1 4.12Å; V504-Y523 HydrophobicContact CB-CD2 4.48Å; V504-Y523 HydrophobicContact CB-CE2 3.92Å; V504-Y523 HydrophobicContact CG2-CD2 3.87Å; V504-Y523 HydrophobicContact CG2-CE1 4.31Å; V504-Y523 HydrophobicContact CG2-CE2 3.53Å; V504-Y523 HydrophobicContact CG2-CG 4.44Å
505	H	91.2	Very high	92.6	Very high	20 Å²	20	39.1 Å²	39.1	9%	0.093	22%	0.22	C	C	.	.			trans	-143.1	149.2	-170.5	62.2	60.1	0	0	0	111	Q488 P503 Y523 V535	Q488-H505 PolarHBondContact NE2-CE1 2.86Å; Q488-H505 PolarHBondContact NE2-NE2 2.77Å; Q488-H505 VanDerWaalsContact NE2-NE2 3.12Å; P503-H505 PolarHBondContact O-N 2.74Å; H505-Y523 HydrophobicContact CB-CD2 3.91Å; H505-Y523 HydrophobicContact CB-CG 4.19Å; H505-V535 VanDerWaalsContact CD2-CG1 3.46Å; H505-V535 WeakPolarHBondContact CD2-CG1 3.45Å; H505-V535 WeakPolarHBondContact CE1-CG2 3.48Å; H505-V535 VanDerWaalsContact ND1-CG2 3.34Å; H505-V535 WeakPolarHBondContact ND1-CG2 3.48Å; H505-V535 WeakPolarHBondContact NE2-CG1 3.19Å
506	H	91.6	Very high	92.5	Very high	20 Å²	20	39 Å²	39	9%	0.093	22%	0.22	C	C	.	.			trans	-131.2	45.1	179.2	-59	95.6	0	0	0	112	I36 E462 M502	I36-H506 HydrophobicContact CD1-CB 3.65Å; I36-H506 WeakPolarHBondContact CD1-ND1 3.48Å; E462-H506 IonicContact OE1-CE1 3.3Å; E462-H506 PolarHBondContact OE1-CE1 2.79Å; E462-H506 IonicContact OE1-ND1 3.33Å; E462-H506 PolarHBondContact OE1-ND1 3.46Å; E462-H506 IonicContact OE2-CG 3.14Å; E462-H506 IonicContact OE2-ND1 2.78Å; E462-H506 PolarHBondContact OE2-ND1 2.84Å; E462-H506 VanDerWaalsContact OE2-ND1 3.14Å; M502-H506 WeakPolarHBondContact CE-CE1 3.47Å; M502-H506 WeakPolarHBondContact CE-NE2 3.44Å
507	C	91.3	Very high	92.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-65.5	-42.7	-172.7	-45.2	0	0	0	0	113.9	N509 R510 C524 C533 V535	C507-N509 PolarHBondContact O-N 2.98Å; C507-R510 PolarHBondContact O-N 3.1Å; C507-R510 VanDerWaalsContact O-N 3.17Å; C507-C524 WeakPolarHBondContact CA-SG 3.24Å; C507-C524 HydrophobicContact CB-CB 3.73Å; C507-C524 WeakPolarHBondContact CB-SG 3.33Å; C507-C524 WeakPolarHBondContact SG-CA 3.42Å; C507-C524 WeakPolarHBondContact SG-CB 3.23Å; C507-C524 CovalentContact SG-SG 2.03Å; C507-C524 PolarHBondContact SG-SG 3.31Å; C507-C533 VanDerWaalsContact O-CB 3.27Å; C507-C533 WeakPolarHBondContact O-CB 3.27Å; C507-C533 PolarHBondContact O-SG 2.78Å; C507-C533 VanDerWaalsContact O-SG 3.36Å; C507-V535 HydrophobicContact CB-CG2 4.34Å
508	A	84.9	Confident	92.5	Very high	84 Å²	84	40.3 Å²	40.3	69%	0.694	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-63.6	-18.3	-164.7	0	0	0	0	0	114.8	R510	A508-R510 PolarHBondContact O-N 2.82Å
509	N	83.1	Confident	92.5	Very high	136 Å²	136	39.3 Å²	39.3	73%	0.727	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-76	-3.6	-179.3	-66.7	2.3	0	0	0	113.1	C507	C507-N509 PolarHBondContact O-N 2.98Å
510	R	89.5	Confident	92.5	Very high	68 Å²	68	41 Å²	41	26%	0.257	22%	0.224	S	C	.	.			trans	-96.1	126	-178.9	-57.1	-58.4	-179.3	159.6	1.7	111.8	C507 A508 T515 C516 L519 C533	C507-R510 PolarHBondContact O-N 3.1Å; C507-R510 VanDerWaalsContact O-N 3.17Å; A508-R510 PolarHBondContact O-N 2.82Å; R510-T515 WeakPolarHBondContact CD-O 3.34Å; R510-T515 WeakPolarHBondContact CG-O 3.47Å; R510-C516 HydrophobicContact CB-CB 4.13Å; R510-L519 HydrophobicContact CG-CD1 3.73Å; R510-L519 HydrophobicContact CG-CD2 4.34Å; R510-L519 HydrophobicContact CG-CG 4.03Å; R510-L519 VanDerWaalsContact NE-CD2 3.32Å; R510-L519 VanDerWaalsContact NH2-CD2 3.32Å; R510-C533 HydrophobicContact CB-CB 3.95Å
511	T	90.7	Very high	92.5	Very high	130 Å²	130	40.7 Å²	40.7	80%	0.798	22%	0.223	S	C	*	.			trans	-98.7	-3.9	-171.2	53.6	0	0	0	0	114.9
512	S	93.4	Very high	92.4	Very high	42 Å²	42	40.4 Å²	40.4	29%	0.294	22%	0.221	S	C	.	.	S	Bend	trans	-140.7	156.9	179.8	77.1	0	0	0	0	111.7	R514 T515 C516 W526	S512-R514 VanDerWaalsContact C-N 3.3Å; S512-R514 PolarHBondContact O-N 3.14Å; S512-T515 PolarHBondContact N-OG1 3.12Å; S512-T515 PolarHBondContact O-N 2.8Å; S512-T515 PolarHBondContact O-OG1 3.4Å; S512-T515 WeakPolarHBondContact OG-CB 3.5Å; S512-T515 WeakPolarHBondContact OG-CG2 3.46Å; S512-T515 PolarHBondContact OG-N 2.81Å; S512-T515 VanDerWaalsContact OG-N 3.12Å; S512-T515 PolarHBondContact OG-OG1 2.03Å; S512-C516 WeakPolarHBondContact O-CB 3.34Å; S512-C516 PolarHBondContact O-N 3.06Å; S512-W526 VanDerWaalsContact C-CE3 3.49Å; S512-W526 VanDerWaalsContact C-CH2 3.47Å; S512-W526 VanDerWaalsContact CA-CH2 3.45Å; S512-W526 WeakPolarHBondContact O-CZ3 3.4Å
513	C	94	Very high	92.5	Very high	19 Å²	19	40.1 Å²	40.1	13%	0.128	22%	0.22	C	C	.	.	H	α-helix	trans	-52.3	-49.6	175.5	-167.6	0	0	0	0	111.4	T515 C516 V517 W526 C571	C513-T515 PolarHBondContact O-N 3.08Å; C513-C516 PolarHBondContact O-N 3.11Å; C513-V517 WeakPolarHBondContact O-CG2 3.34Å; C513-V517 PolarHBondContact O-N 3.15Å; C513-W526 HydrophobicContact CB-CB 4.44Å; C513-W526 HydrophobicContact CB-CD2 3.84Å; C513-W526 HydrophobicContact CB-CG 3.73Å; C513-W526 HydrophobicContact CB-CZ2 4.43Å; C513-C571 HydrophobicContact CB-CB 3.71Å; C513-C571 WeakPolarHBondContact CB-SG 3.24Å; C513-C571 PolarHBondContact O-SG 2.9Å; C513-C571 WeakPolarHBondContact SG-CA 3.19Å; C513-C571 WeakPolarHBondContact SG-CB 3.4Å; C513-C571 CovalentContact SG-SG 2.03Å; C513-C571 PolarHBondContact SG-SG 2.65Å
514	R	94	Very high	92.6	Very high	119 Å²	119	38.6 Å²	38.6	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-59	-49.4	179.8	-172.8	-178.1	-61.1	-101.5	-2.6	111.9	S512 C516 V517 Q518	S512-R514 VanDerWaalsContact C-N 3.3Å; S512-R514 PolarHBondContact O-N 3.14Å; R514-C516 VanDerWaalsContact C-N 3.3Å; R514-C516 PolarHBondContact O-N 3.04Å; R514-V517 PolarHBondContact O-N 3.28Å; R514-Q518 HydrophobicContact CG-CG 4.46Å; R514-Q518 VanDerWaalsContact O-CB 3.31Å; R514-Q518 WeakPolarHBondContact O-CB 3.37Å; R514-Q518 WeakPolarHBondContact O-CG 3.38Å; R514-Q518 PolarHBondContact O-N 3.33Å
515	T	94.2	Very high	92.6	Very high	37 Å²	37	38.5 Å²	38.5	23%	0.227	21%	0.21	C	C	.	.	H	α-helix	trans	-70.9	-24.2	-177.9	56.9	0	0	0	0	113.5	R510 S512 C513	R510-T515 WeakPolarHBondContact CD-O 3.34Å; R510-T515 WeakPolarHBondContact CG-O 3.47Å; S512-T515 PolarHBondContact N-OG1 3.12Å; S512-T515 PolarHBondContact O-N 2.8Å; S512-T515 PolarHBondContact O-OG1 3.4Å; S512-T515 WeakPolarHBondContact OG-CB 3.5Å; S512-T515 WeakPolarHBondContact OG-CG2 3.46Å; S512-T515 PolarHBondContact OG-N 2.81Å; S512-T515 VanDerWaalsContact OG-N 3.12Å; S512-T515 PolarHBondContact OG-OG1 2.03Å; C513-T515 PolarHBondContact O-N 3.08Å
516	C	95.4	Very high	92.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-73.4	-49.1	171.7	-178.2	0	0	0	0	111.8	R510 S512 C513 R514 Q518 L519 W526 C533	R510-C516 HydrophobicContact CB-CB 4.13Å; S512-C516 WeakPolarHBondContact O-CB 3.34Å; S512-C516 PolarHBondContact O-N 3.06Å; C513-C516 PolarHBondContact O-N 3.11Å; R514-C516 VanDerWaalsContact C-N 3.3Å; R514-C516 PolarHBondContact O-N 3.04Å; C516-Q518 VanDerWaalsContact C-N 3.32Å; C516-Q518 PolarHBondContact O-N 3.17Å; C516-L519 VanDerWaalsContact O-CB 3.23Å; C516-L519 WeakPolarHBondContact O-CB 3.36Å; C516-L519 WeakPolarHBondContact O-CG 3.38Å; C516-L519 PolarHBondContact O-N 3.17Å; C516-L519 VanDerWaalsContact O-N 3.16Å; C516-W526 HydrophobicContact CB-CB 4.2Å; C516-W526 HydrophobicContact CB-CE3 3.7Å; C516-W526 HydrophobicContact CB-CZ3 4.48Å; C516-W526 PolarHBondContact SG-N 2.84Å; C516-W526 VanDerWaalsContact SG-N 3.41Å; C516-C533 HydrophobicContact CB-CB 3.6Å; C516-C533 WeakPolarHBondContact CB-SG 3.37Å; C516-C533 VanDerWaalsContact SG-CA 3.55Å; C516-C533 WeakPolarHBondContact SG-CB 3.36Å; C516-C533 CovalentContact SG-SG 2.03Å; C516-C533 PolarHBondContact SG-SG 2.96Å
517	V	94.9	Very high	92.7	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-34.6	-179.3	175.4	0	0	0	0	111.6	C513 R514 L519 Q520 A560 G566 C571	C513-V517 WeakPolarHBondContact O-CG2 3.34Å; C513-V517 PolarHBondContact O-N 3.15Å; R514-V517 PolarHBondContact O-N 3.28Å; V517-L519 PolarHBondContact O-N 2.78Å; V517-L519 VanDerWaalsContact O-N 3.1Å; V517-Q520 PolarHBondContact O-N 2.9Å; V517-Q520 VanDerWaalsContact O-N 3.13Å; V517-A560 HydrophobicContact CG2-CB 4.12Å; V517-A560 WeakPolarHBondContact CG2-O 3.33Å; V517-G566 WeakPolarHBondContact O-CA 3.39Å; V517-C571 VanDerWaalsContact CG2-SG 3.51Å
518	Q	95.2	Very high	92.6	Very high	86 Å²	86	40.3 Å²	40.3	40%	0.402	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.1	173.9	-81	174.6	-21.3	0	0	114.2	V33 R514 C516 Q520 G566	V33-Q518 WeakPolarHBondContact CG1-O 3.29Å; R514-Q518 HydrophobicContact CG-CG 4.46Å; R514-Q518 VanDerWaalsContact O-CB 3.31Å; R514-Q518 WeakPolarHBondContact O-CB 3.37Å; R514-Q518 WeakPolarHBondContact O-CG 3.38Å; R514-Q518 PolarHBondContact O-N 3.33Å; C516-Q518 VanDerWaalsContact C-N 3.32Å; C516-Q518 PolarHBondContact O-N 3.17Å; Q518-Q520 PolarHBondContact O-N 2.88Å; Q518-G566 WeakPolarHBondContact CA-O 3.37Å; Q518-G566 PolarHBondContact N-O 3.01Å
519	L	95.7	Very high	92.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.9	174.4	-73.5	177.9	0	0	0	112.6	Q34 R510 C516 V517 D521 C524	Q34-L519 VanDerWaalsContact CD-CD2 3.44Å; Q34-L519 HydrophobicContact CG-CD2 4.39Å; Q34-L519 VanDerWaalsContact OE1-CD2 3.23Å; R510-L519 HydrophobicContact CG-CD1 3.73Å; R510-L519 HydrophobicContact CG-CD2 4.34Å; R510-L519 HydrophobicContact CG-CG 4.03Å; R510-L519 VanDerWaalsContact NE-CD2 3.32Å; R510-L519 VanDerWaalsContact NH2-CD2 3.32Å; C516-L519 VanDerWaalsContact O-CB 3.23Å; C516-L519 WeakPolarHBondContact O-CB 3.36Å; C516-L519 WeakPolarHBondContact O-CG 3.38Å; C516-L519 PolarHBondContact O-N 3.17Å; C516-L519 VanDerWaalsContact O-N 3.16Å; V517-L519 PolarHBondContact O-N 2.78Å; V517-L519 VanDerWaalsContact O-N 3.1Å; L519-D521 HydrophobicContact CB-CB 4.04Å; L519-D521 PolarHBondContact O-N 3.04Å; L519-C524 HydrophobicContact CD1-CB 4.02Å
520	Q	95.7	Very high	93.1	Very high	34 Å²	34	39.5 Å²	39.5	16%	0.159	20%	0.202	C	C	.	.			trans	53	25.3	-174.1	-64.1	-174.1	-101	0	0	113.1	V459 V517 Q518 P522 V563 A564	V459-Q520 HydrophobicContact CG1-CB 4.13Å; V517-Q520 PolarHBondContact O-N 2.9Å; V517-Q520 VanDerWaalsContact O-N 3.13Å; Q518-Q520 PolarHBondContact O-N 2.88Å; Q520-P522 WeakPolarHBondContact O-CD 3.49Å; Q520-V563 WeakPolarHBondContact CB-O 3.47Å; Q520-V563 PolarHBondContact NE2-O 3.08Å; Q520-A564 PolarHBondContact NE2-O 2.94Å
521	D	95.6	Very high	93.1	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	22%	0.22	C	C	.	.			trans	-92.7	118.9	-177.2	-170.3	-18.6	0	0	0	109.2	K446 V461 L519 Y523 C524 Q561	K446-D521 IonicContact NZ-OD1 3.91Å; K446-D521 PolarHBondContact NZ-OD1 2.88Å; K446-D521 IonicContact NZ-OD2 2.66Å; K446-D521 PolarHBondContact NZ-OD2 2.9Å; V461-D521 HydrophobicContact CG1-CB 3.82Å; L519-D521 HydrophobicContact CB-CB 4.04Å; L519-D521 PolarHBondContact O-N 3.04Å; D521-Y523 PolarHBondContact O-N 2.82Å; D521-Y523 WeakPolarHBondContact OD1-CB 3.38Å; D521-Y523 WeakPolarHBondContact OD1-CD2 3.26Å; D521-Y523 PolarHBondContact OD1-N 3.32Å; D521-C524 HydrophobicContact CB-CB 4.08Å; D521-C524 PolarHBondContact O-N 3.23Å; D521-Q561 PolarHBondContact O-NE2 3.07Å
522	P	93.5	Very high	93.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.6	177	-26.2	35	0	0	0	114	V424 T426 Y432 V434 V448 Q520 Q561 V563	V424-P522 HydrophobicContact CG1-CB 3.82Å; T426-P522 HydrophobicContact CG2-CB 4.35Å; Y432-P522 HydrophobicContact CD2-CB 4.34Å; Y432-P522 HydrophobicContact CD2-CG 4.21Å; Y432-P522 HydrophobicContact CG-CG 4.28Å; V434-P522 HydrophobicContact CG2-CB 4.44Å; V434-P522 HydrophobicContact CG2-CG 4.06Å; V448-P522 HydrophobicContact CG1-CG 4.07Å; V448-P522 HydrophobicContact CG2-CG 3.83Å; Q520-P522 WeakPolarHBondContact O-CD 3.49Å; P522-Q561 VanDerWaalsContact C-NE2 3.3Å; P522-Q561 PolarHBondContact O-NE2 3.22Å; P522-V563 HydrophobicContact CB-CG2 4.2Å; P522-V563 HydrophobicContact CG-CG1 3.83Å; P522-V563 HydrophobicContact CG-CG2 4.06Å
523	Y	93	Very high	93.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-18.8	177.8	-52.6	-50.8	0	0	0	114	H421 V424 V434 F436 K446 V504 H505 D521 V535 I536 L538	H421-Y523 WeakPolarHBondContact CB-OH 3.11Å; H421-Y523 AromaticContact ND1-CE1 3.65Å; H421-Y523 AromaticContact ND1-CZ 3.67Å; H421-Y523 PolarHBondContact ND1-OH 2.99Å; V424-Y523 HydrophobicContact CB-CE1 4.12Å; V424-Y523 HydrophobicContact CG1-CD1 3.56Å; V424-Y523 HydrophobicContact CG1-CE1 3.35Å; V424-Y523 HydrophobicContact CG2-CE1 3.6Å; V434-Y523 WeakPolarHBondContact CB-OH 3.46Å; V434-Y523 HydrophobicContact CG1-CE2 4.02Å; V434-Y523 HydrophobicContact CG2-CE1 4.43Å; V434-Y523 HydrophobicContact CG2-CE2 4.28Å; F436-Y523 HydrophobicContact CZ-CE2 4.21Å; K446-Y523 VanDerWaalsContact NZ-CE2 3.33Å; V504-Y523 HydrophobicContact CB-CD2 4.48Å; V504-Y523 HydrophobicContact CB-CE2 3.92Å; V504-Y523 HydrophobicContact CG2-CD2 3.87Å; V504-Y523 HydrophobicContact CG2-CE1 4.31Å; V504-Y523 HydrophobicContact CG2-CE2 3.53Å; V504-Y523 HydrophobicContact CG2-CG 4.44Å; H505-Y523 HydrophobicContact CB-CD2 3.91Å; H505-Y523 HydrophobicContact CB-CG 4.19Å; D521-Y523 PolarHBondContact O-N 2.82Å; D521-Y523 WeakPolarHBondContact OD1-CB 3.38Å; D521-Y523 WeakPolarHBondContact OD1-CD2 3.26Å; D521-Y523 PolarHBondContact OD1-N 3.32Å; Y523-V535 CarbonylContact O-C 3.39Å; Y523-V535 WeakPolarHBondContact O-CA 3.09Å; Y523-I536 PolarHBondContact O-N 3.38Å; Y523-L538 HydrophobicContact CD1-CD1 3.17Å; Y523-L538 HydrophobicContact CD1-CD2 3.83Å; Y523-L538 HydrophobicContact CD1-CG 4Å; Y523-L538 HydrophobicContact CE1-CD1 3.3Å; Y523-L538 HydrophobicContact CE1-CD2 4.08Å; Y523-L538 HydrophobicContact CE1-CG 4.28Å; Y523-L538 HydrophobicContact CG-CD1 4.08Å
524	C	94.1	Very high	93	Very high	4 Å²	4	41 Å²	41	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.4	-171.7	-57.1	0	0	0	0	111.6	C507 L519 D521 Q561	C507-C524 WeakPolarHBondContact CA-SG 3.24Å; C507-C524 HydrophobicContact CB-CB 3.73Å; C507-C524 WeakPolarHBondContact CB-SG 3.33Å; C507-C524 WeakPolarHBondContact SG-CA 3.42Å; C507-C524 WeakPolarHBondContact SG-CB 3.23Å; C507-C524 CovalentContact SG-SG 2.03Å; C507-C524 PolarHBondContact SG-SG 3.31Å; L519-C524 HydrophobicContact CD1-CB 4.02Å; D521-C524 HydrophobicContact CB-CB 4.08Å; D521-C524 PolarHBondContact O-N 3.23Å; C524-Q561 WeakPolarHBondContact O-CG 3.4Å; C524-Q561 PolarHBondContact O-NE2 2.82Å
525	A	93	Very high	92.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.2	168.9	0	0	0	0	0	110.8	V427 V534 I536 F559 Q561	V427-A525 HydrophobicContact CG2-CB 3.79Å; A525-V534 PolarHBondContact N-O 3.39Å; A525-V534 WeakPolarHBondContact O-CG2 3.46Å; A525-V534 PolarHBondContact O-N 3.31Å; A525-I536 HydrophobicContact CB-CD1 3.83Å; A525-I536 HydrophobicContact CB-CG1 3.84Å; A525-F559 HydrophobicContact CB-CB 4.2Å; A525-F559 HydrophobicContact CB-CD1 4.46Å; A525-Q561 HydrophobicContact CB-CB 3.98Å; A525-Q561 HydrophobicContact CB-CG 4.42Å
526	W	94	Very high	92	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.045	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.4	172.5	-176.9	-99.3	0	0	0	109.8	S512 C513 C516 L528 N531 R532 C533 F559 A560	S512-W526 VanDerWaalsContact C-CE3 3.49Å; S512-W526 VanDerWaalsContact C-CH2 3.47Å; S512-W526 VanDerWaalsContact CA-CH2 3.45Å; S512-W526 WeakPolarHBondContact O-CZ3 3.4Å; C513-W526 HydrophobicContact CB-CB 4.44Å; C513-W526 HydrophobicContact CB-CD2 3.84Å; C513-W526 HydrophobicContact CB-CG 3.73Å; C513-W526 HydrophobicContact CB-CZ2 4.43Å; C516-W526 HydrophobicContact CB-CB 4.2Å; C516-W526 HydrophobicContact CB-CE3 3.7Å; C516-W526 HydrophobicContact CB-CZ3 4.48Å; C516-W526 PolarHBondContact SG-N 2.84Å; C516-W526 VanDerWaalsContact SG-N 3.41Å; W526-L528 PolarHBondContact O-N 2.87Å; W526-N531 WeakPolarHBondContact CH2-O 3.38Å; W526-N531 VanDerWaalsContact CZ2-CA 3.48Å; W526-N531 HydrophobicContact CZ2-CB 4.01Å; W526-N531 WeakPolarHBondContact CZ2-O 3.39Å; W526-R532 VanDerWaalsContact CE3-C 3.43Å; W526-C533 HydrophobicContact CE3-CB 4.09Å; W526-C533 HydrophobicContact CZ3-CB 4.38Å; W526-F559 CarbonylContact O-C 3.53Å; W526-F559 WeakPolarHBondContact O-CA 3.43Å; W526-A560 HydrophobicContact CB-CB 4.22Å; W526-A560 PolarHBondContact N-O 3.19Å; W526-A560 PolarHBondContact O-N 2.76Å
527	D	91.7	Very high	90.4	Very high	13 Å²	13	39.3 Å²	39.3	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	109.4	169.9	-175.2	-27.8	0	0	0	109.1	I529 N530 N531 R532 V534 F559	D527-I529 PolarHBondContact O-N 3.46Å; D527-I529 WeakPolarHBondContact OD1-CB 3.48Å; D527-I529 PolarHBondContact OD1-N 2.73Å; D527-N530 HydrophobicContact CB-CB 4.39Å; D527-N530 PolarHBondContact OD1-N 3.03Å; D527-N530 PolarHBondContact OD2-ND2 2.71Å; D527-N531 WeakPolarHBondContact O-CA 3.28Å; D527-N531 PolarHBondContact O-N 3.03Å; D527-R532 WeakPolarHBondContact CB-O 3.38Å; D527-R532 PolarHBondContact N-O 3.17Å; D527-R532 PolarHBondContact O-N 2.84Å; D527-V534 HydrophobicContact CB-CG1 4.01Å; D527-V534 HydrophobicContact CB-CG2 4.09Å; D527-F559 HydrophobicContact CB-CD1 4.06Å; D527-F559 HydrophobicContact CB-CE1 3.83Å
528	L	89.8	Confident	88.6	Confident	53 Å²	53	39.9 Å²	39.9	28%	0.277	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.2	-177.5	-69	164.4	0	0	0	112.8	W526 G557 K558 L570	W526-L528 PolarHBondContact O-N 2.87Å; L528-G557 VanDerWaalsContact CD1-O 3.31Å; L528-G557 WeakPolarHBondContact CD1-O 3.33Å; L528-K558 WeakPolarHBondContact CB-O 3.16Å; L528-K558 PolarHBondContact N-O 2.89Å; L528-L570 HydrophobicContact CD1-CB 4.29Å; L528-L570 HydrophobicContact CD1-CD1 4.11Å; L528-L570 HydrophobicContact CD1-CD2 4.47Å
529	I	87.8	Confident	86.5	Confident	110 Å²	110	37.9 Å²	37.9	56%	0.564	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-48.2	-178.6	-60.1	175	0	0	0	109.6	D527 K558	D527-I529 PolarHBondContact O-N 3.46Å; D527-I529 WeakPolarHBondContact OD1-CB 3.48Å; D527-I529 PolarHBondContact OD1-N 2.73Å; I529-K558 HydrophobicContact CD1-CD 3.8Å; I529-K558 HydrophobicContact CD1-CG 4.1Å
530	N	89	Confident	84.1	Confident	93 Å²	93	43 Å²	43	50%	0.497	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-0	-176.6	-64.2	-62	0	0	0	113.6	D527 R532	D527-N530 HydrophobicContact CB-CB 4.39Å; D527-N530 PolarHBondContact OD1-N 3.03Å; D527-N530 PolarHBondContact OD2-ND2 2.71Å; N530-R532 VanDerWaalsContact C-N 3.32Å; N530-R532 HydrophobicContact CB-CG 3.96Å; N530-R532 PolarHBondContact O-N 2.9Å
531	N	90.8	Very high	81.8	Confident	116 Å²	116	45.9 Å²	45.9	62%	0.62	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	48.4	-179.9	-72.2	-43.7	0	0	0	113.7	W526 D527	W526-N531 WeakPolarHBondContact CH2-O 3.38Å; W526-N531 VanDerWaalsContact CZ2-CA 3.48Å; W526-N531 HydrophobicContact CZ2-CB 4.01Å; W526-N531 WeakPolarHBondContact CZ2-O 3.39Å; D527-N531 WeakPolarHBondContact O-CA 3.28Å; D527-N531 PolarHBondContact O-N 3.03Å
532	R	92.2	Very high	79.3	Confident	146 Å²	146	49.8 Å²	49.8	55%	0.551	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.4	179.9	60.5	177	-175.6	150.9	-0.1	111.9	W526 D527 N530 V534	W526-R532 VanDerWaalsContact CE3-C 3.43Å; D527-R532 WeakPolarHBondContact CB-O 3.38Å; D527-R532 PolarHBondContact N-O 3.17Å; D527-R532 PolarHBondContact O-N 2.84Å; N530-R532 VanDerWaalsContact C-N 3.32Å; N530-R532 HydrophobicContact CB-CG 3.96Å; N530-R532 PolarHBondContact O-N 2.9Å; R532-V534 HydrophobicContact CG-CG1 3.78Å; R532-V534 PolarHBondContact O-N 2.78Å
533	C	93.7	Very high	76.9	Confident	8 Å²	8	52.7 Å²	52.7	5%	0.054	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115.9	173.3	-162.1	0	0	0	0	109.5	C507 R510 C516 W526	C507-C533 VanDerWaalsContact O-CB 3.27Å; C507-C533 WeakPolarHBondContact O-CB 3.27Å; C507-C533 PolarHBondContact O-SG 2.78Å; C507-C533 VanDerWaalsContact O-SG 3.36Å; R510-C533 HydrophobicContact CB-CB 3.95Å; C516-C533 HydrophobicContact CB-CB 3.6Å; C516-C533 WeakPolarHBondContact CB-SG 3.37Å; C516-C533 VanDerWaalsContact SG-CA 3.55Å; C516-C533 WeakPolarHBondContact SG-CB 3.36Å; C516-C533 CovalentContact SG-SG 2.03Å; C516-C533 PolarHBondContact SG-SG 2.96Å; W526-C533 HydrophobicContact CE3-CB 4.09Å; W526-C533 HydrophobicContact CZ3-CB 4.38Å
534	V	90.7	Very high	74.7	Confident	21 Å²	21	59.1 Å²	59.1	13%	0.127	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	159.7	-176.5	-59.7	0	0	0	0	111.4	A525 D527 R532 F559	A525-V534 PolarHBondContact N-O 3.39Å; A525-V534 WeakPolarHBondContact O-CG2 3.46Å; A525-V534 PolarHBondContact O-N 3.31Å; D527-V534 HydrophobicContact CB-CG1 4.01Å; D527-V534 HydrophobicContact CB-CG2 4.09Å; R532-V534 HydrophobicContact CG-CG1 3.78Å; R532-V534 PolarHBondContact O-N 2.78Å; V534-F559 HydrophobicContact CG2-CD1 4.18Å; V534-F559 HydrophobicContact CG2-CE1 3.86Å
535	V	87.8	Confident	72.5	Confident	53 Å²	53	65.1 Å²	65.1	32%	0.321	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.5	170.6	-174.9	0	0	0	0	108.1	H505 C507 Y523 S537	H505-V535 VanDerWaalsContact CD2-CG1 3.46Å; H505-V535 WeakPolarHBondContact CD2-CG1 3.45Å; H505-V535 WeakPolarHBondContact CE1-CG2 3.48Å; H505-V535 VanDerWaalsContact ND1-CG2 3.34Å; H505-V535 WeakPolarHBondContact ND1-CG2 3.48Å; H505-V535 WeakPolarHBondContact NE2-CG1 3.19Å; C507-V535 HydrophobicContact CB-CG2 4.34Å; Y523-V535 CarbonylContact O-C 3.39Å; Y523-V535 WeakPolarHBondContact O-CA 3.09Å; V535-S537 PolarHBondContact O-N 3.45Å
536	I	79.2	Confident	70.1	Confident	7 Å²	7	71.3 Å²	71.3	4%	0.036	38%	0.38	C	S	.	.			trans	-74	111.3	170.3	-52.1	171.6	0	0	0	107.1	V427 Y523 A525 L538 W554 Q561	V427-I536 HydrophobicContact CG2-CD1 3.38Å; V427-I536 HydrophobicContact CG2-CG1 4.04Å; Y523-I536 PolarHBondContact O-N 3.38Å; A525-I536 HydrophobicContact CB-CD1 3.83Å; A525-I536 HydrophobicContact CB-CG1 3.84Å; I536-L538 WeakPolarHBondContact O-CG 3.04Å; I536-L538 PolarHBondContact O-N 3.28Å; I536-L538 VanDerWaalsContact O-N 3.12Å; I536-W554 VanDerWaalsContact CA-CH2 3.41Å; I536-W554 HydrophobicContact CB-CH2 3.7Å; I536-W554 HydrophobicContact CB-CZ2 4.08Å; I536-W554 HydrophobicContact CB-CZ3 4.1Å; I536-W554 HydrophobicContact CG1-CH2 3.79Å; I536-W554 HydrophobicContact CG1-CZ3 3.73Å; I536-W554 HydrophobicContact CG2-CD2 4.21Å; I536-W554 HydrophobicContact CG2-CE3 4.12Å; I536-W554 HydrophobicContact CG2-CH2 3.47Å; I536-W554 VanDerWaalsContact CG2-CH2 3.47Å; I536-W554 HydrophobicContact CG2-CZ2 3.44Å; I536-W554 VanDerWaalsContact CG2-CZ2 3.44Å; I536-W554 HydrophobicContact CG2-CZ3 3.77Å; I536-Q561 VanDerWaalsContact CD1-NE2 3.34Å; I536-Q561 VanDerWaalsContact CD1-OE1 3.25Å
537	S	61.1	Low	67.7	Low	61 Å²	61	71.7 Å²	71.7	43%	0.427	39%	0.385	S	S	.	.			trans	-54.9	118.6	-175.4	179.1	0	0	0	0	110.9	V535 P539	V535-S537 PolarHBondContact O-N 3.45Å; S537-P539 VanDerWaalsContact O-CD 3.24Å; S537-P539 WeakPolarHBondContact O-CD 3.01Å
538	L	57.7	Low	65.5	Low	17 Å²	17	75.1 Å²	75.1	9%	0.089	40%	0.403	C	S	.	.			trans	-99.8	102.1	-177.9	-56.3	159.6	0	0	0	108.2	V424 V489 Y523 I536 Y540	V424-L538 HydrophobicContact CG1-CD2 3.8Å; V489-L538 HydrophobicContact CB-CD1 4.21Å; V489-L538 HydrophobicContact CG2-CB 3.89Å; V489-L538 HydrophobicContact CG2-CD1 3.98Å; Y523-L538 HydrophobicContact CD1-CD1 3.17Å; Y523-L538 HydrophobicContact CD1-CD2 3.83Å; Y523-L538 HydrophobicContact CD1-CG 4Å; Y523-L538 HydrophobicContact CE1-CD1 3.3Å; Y523-L538 HydrophobicContact CE1-CD2 4.08Å; Y523-L538 HydrophobicContact CE1-CG 4.28Å; Y523-L538 HydrophobicContact CG-CD1 4.08Å; I536-L538 WeakPolarHBondContact O-CG 3.04Å; I536-L538 PolarHBondContact O-N 3.28Å; I536-L538 VanDerWaalsContact O-N 3.12Å; L538-Y540 PolarHBondContact O-N 3.19Å
539	P	50.1	Low	63.4	Low	45 Å²	45	76.3 Å²	76.3	29%	0.292	41%	0.412	S	S	.	.			trans	-66.2	105.6	164	26.5	-29.7	0	0	0	107.7	S537 V541	S537-P539 VanDerWaalsContact O-CD 3.24Å; S537-P539 WeakPolarHBondContact O-CD 3.01Å; P539-V541 PolarHBondContact O-N 3.18Å; P539-V541 VanDerWaalsContact O-N 3.13Å
540	Y	45.6	Very low	61.5	Low	106 Å²	106	72.3 Å²	72.3	42%	0.416	39%	0.393	S	S	.	.	S	Bend	trans	-53.1	-31.7	173.2	-177.2	-98.6	0	0	0	111.3	V478 P480 V489 L538	V478-Y540 HydrophobicContact CG1-CE2 4.25Å; P480-Y540 HydrophobicContact CB-CD1 4.01Å; P480-Y540 HydrophobicContact CB-CG 4.06Å; P480-Y540 HydrophobicContact CG-CD1 3.93Å; P480-Y540 HydrophobicContact CG-CE1 4.06Å; P480-Y540 HydrophobicContact CG-CG 4.42Å; V489-Y540 HydrophobicContact CG2-CD2 4.4Å; L538-Y540 PolarHBondContact O-N 3.19Å
541	V	48.2	Very low	59.4	Low	95 Å²	95	72.3 Å²	72.3	58%	0.576	39%	0.389	S	S	*	.	S	Bend	trans	-107.9	109.7	169.7	-164	0	0	0	0	108.3	P539 T543	P539-V541 PolarHBondContact O-N 3.18Å; P539-V541 VanDerWaalsContact O-N 3.13Å; V541-T543 HydrophobicContact CB-CG2 4.49Å; V541-T543 HydrophobicContact CG1-CG2 3.82Å; V541-T543 PolarHBondContact O-N 3.29Å
542	A	42.7	Very low	57.3	Low	85 Å²	85	76.2 Å²	76.2	70%	0.702	40%	0.395	S	S	*	.			trans	-67.8	66.5	166.7	0	0	0	0	0	110.2
543	T	43.6	Very low	55.3	Low	62 Å²	62	76.6 Å²	76.6	38%	0.38	40%	0.403	S	S	.	.			trans	-69.8	135.4	160.1	58	0	0	0	0	107.4	V541 I545 F546 A547	V541-T543 HydrophobicContact CB-CG2 4.49Å; V541-T543 HydrophobicContact CG1-CG2 3.82Å; V541-T543 PolarHBondContact O-N 3.29Å; T543-I545 PolarHBondContact O-N 2.71Å; T543-I545 VanDerWaalsContact O-N 3.12Å; T543-F546 PolarHBondContact O-N 3.36Å; T543-F546 VanDerWaalsContact O-N 3.15Å; T543-F546 WeakPolarHBondContact OG1-CD2 3.3Å; T543-A547 PolarHBondContact O-N 2.95Å
544	I	47.1	Very low	53.5	Low	135 Å²	135	78.3 Å²	78.3	69%	0.692	41%	0.408	S	S	*	.	H	α-helix	trans	-51.3	-39.4	-178	-66.3	169.2	0	0	0	111	I548	I544-I548 HydrophobicContact CG2-CD1 3.69Å; I544-I548 HydrophobicContact CG2-CG1 4.47Å; I544-I548 WeakPolarHBondContact O-CD1 3.37Å; I544-I548 WeakPolarHBondContact O-CG1 3.41Å; I544-I548 PolarHBondContact O-N 3.41Å
545	I	46.5	Very low	51.8	Low	130 Å²	130	82.8 Å²	82.8	67%	0.667	43%	0.427	S	S	*	.	H	α-helix	trans	-65.1	-48.9	-177.6	-59.4	174.9	0	0	0	111.3	T543 I548 T549	T543-I545 PolarHBondContact O-N 2.71Å; T543-I545 VanDerWaalsContact O-N 3.12Å; I545-I548 PolarHBondContact O-N 3.3Å; I545-T549 PolarHBondContact O-N 2.83Å; I545-T549 PolarHBondContact O-OG1 3.11Å
546	F	42.5	Very low	50.5	Low	130 Å²	130	86.2 Å²	86.2	57%	0.57	44%	0.444	S	S	*	.	H	α-helix	trans	-69.4	-38.9	178.7	-89	-87.4	0	0	0	112.1	T543 I548 T549 T550	T543-F546 PolarHBondContact O-N 3.36Å; T543-F546 VanDerWaalsContact O-N 3.15Å; T543-F546 WeakPolarHBondContact OG1-CD2 3.3Å; F546-I548 VanDerWaalsContact C-N 3.31Å; F546-I548 PolarHBondContact O-N 3.36Å; F546-T549 WeakPolarHBondContact CA-OG1 3.38Å; F546-T549 PolarHBondContact O-N 3Å; F546-T549 PolarHBondContact O-OG1 3.02Å; F546-T550 WeakPolarHBondContact O-CB 3.22Å; F546-T550 PolarHBondContact O-N 3.32Å; F546-T550 PolarHBondContact O-OG1 3.16Å
547	A	44.3	Very low	49.8	Very low	20 Å²	20	88.4 Å²	88.4	17%	0.165	47%	0.468	C	S	.	.	H	α-helix	trans	-55.7	-48.9	174.1	0	0	0	0	0	110.2	T543 T549 T550 F551	T543-A547 PolarHBondContact O-N 2.95Å; A547-T549 PolarHBondContact O-N 3.18Å; A547-T550 PolarHBondContact O-N 2.96Å; A547-F551 HydrophobicContact CB-CD2 3.97Å; A547-F551 HydrophobicContact CB-CE2 4.11Å; A547-F551 WeakPolarHBondContact O-CB 3.44Å; A547-F551 WeakPolarHBondContact O-CD2 3.29Å; A547-F551 WeakPolarHBondContact O-CG 3.26Å; A547-F551 PolarHBondContact O-N 2.84Å
548	I	45.7	Very low	50.8	Low	84 Å²	84	89.1 Å²	89.1	43%	0.431	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-44.2	-179.7	-66.3	162.6	0	0	0	112	I544 I545 F546 R552	I544-I548 HydrophobicContact CG2-CD1 3.69Å; I544-I548 HydrophobicContact CG2-CG1 4.47Å; I544-I548 WeakPolarHBondContact O-CD1 3.37Å; I544-I548 WeakPolarHBondContact O-CG1 3.41Å; I544-I548 PolarHBondContact O-N 3.41Å; I545-I548 PolarHBondContact O-N 3.3Å; F546-I548 VanDerWaalsContact C-N 3.31Å; F546-I548 PolarHBondContact O-N 3.36Å; I548-R552 WeakPolarHBondContact O-CB 3.47Å; I548-R552 VanDerWaalsContact O-CG 3.27Å; I548-R552 WeakPolarHBondContact O-CG 3.47Å; I548-R552 PolarHBondContact O-N 3.43Å; I548-R552 VanDerWaalsContact O-N 3.12Å
549	T	45.7	Very low	52.4	Low	78 Å²	78	89.8 Å²	89.8	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-70.3	-42.8	-179.4	48	0	0	0	0	112.4	I545 F546 A547	I545-T549 PolarHBondContact O-N 2.83Å; I545-T549 PolarHBondContact O-OG1 3.11Å; F546-T549 WeakPolarHBondContact CA-OG1 3.38Å; F546-T549 PolarHBondContact O-N 3Å; F546-T549 PolarHBondContact O-OG1 3.02Å; A547-T549 PolarHBondContact O-N 3.18Å
550	T	46.5	Very low	54.3	Low	27 Å²	27	87.7 Å²	87.7	17%	0.166	45%	0.453	C	S	.	.	H	α-helix	trans	-71.4	-44.1	-178.8	-46.6	0	0	0	0	110.1	F546 A547 R552 H553 W554	F546-T550 WeakPolarHBondContact O-CB 3.22Å; F546-T550 PolarHBondContact O-N 3.32Å; F546-T550 PolarHBondContact O-OG1 3.16Å; A547-T550 PolarHBondContact O-N 2.96Å; T550-R552 VanDerWaalsContact C-N 3.35Å; T550-R552 PolarHBondContact O-N 2.84Å; T550-H553 PolarHBondContact O-N 2.87Å; T550-W554 PolarHBondContact O-NE1 2.04Å
551	F	46.5	Very low	56.5	Low	92 Å²	92	84.3 Å²	84.3	40%	0.404	44%	0.441	S	S	.	.	H	α-helix	trans	-64.8	-32.8	178	-78.6	-67.1	0	0	0	113.2	T425 A547 H553 W554	T425-F551 HydrophobicContact CG2-CE1 3.97Å; T425-F551 HydrophobicContact CG2-CZ 3.96Å; A547-F551 HydrophobicContact CB-CD2 3.97Å; A547-F551 HydrophobicContact CB-CE2 4.11Å; A547-F551 WeakPolarHBondContact O-CB 3.44Å; A547-F551 WeakPolarHBondContact O-CD2 3.29Å; A547-F551 WeakPolarHBondContact O-CG 3.26Å; A547-F551 PolarHBondContact O-N 2.84Å; F551-H553 PolarHBondContact O-N 2.78Å; F551-H553 VanDerWaalsContact O-N 3.09Å; F551-W554 PolarHBondContact O-N 3.47Å
552	R	47	Very low	58.6	Low	199 Å²	199	80.8 Å²	80.8	75%	0.751	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.6	175.9	-86.9	-176.9	-168.2	-163	4.9	113.6	I548 T550	I548-R552 WeakPolarHBondContact O-CB 3.47Å; I548-R552 VanDerWaalsContact O-CG 3.27Å; I548-R552 WeakPolarHBondContact O-CG 3.47Å; I548-R552 PolarHBondContact O-N 3.43Å; I548-R552 VanDerWaalsContact O-N 3.12Å; T550-R552 VanDerWaalsContact C-N 3.35Å; T550-R552 PolarHBondContact O-N 2.84Å
553	H	49.5	Very low	60.9	Low	153 Å²	153	76.9 Å²	76.9	71%	0.708	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.7	177.3	-84.3	-52.4	0	0	0	114.8	T550 F551 Q555	T550-H553 PolarHBondContact O-N 2.87Å; F551-H553 PolarHBondContact O-N 2.78Å; F551-H553 VanDerWaalsContact O-N 3.09Å; H553-Q555 PolarHBondContact O-N 3.18Å
554	W	55.6	Low	63.2	Low	44 Å²	44	75.6 Å²	75.6	17%	0.167	38%	0.383	C	S	.	.			trans	-94.9	82.8	179.8	-51.4	81.1	0	0	0	109.3	V427 I536 T550 F551 F559	V427-W554 HydrophobicContact CB-CE3 4.48Å; V427-W554 HydrophobicContact CG1-CE3 4.28Å; V427-W554 HydrophobicContact CG2-CE3 3.75Å; V427-W554 HydrophobicContact CG2-CZ3 3.95Å; I536-W554 VanDerWaalsContact CA-CH2 3.41Å; I536-W554 HydrophobicContact CB-CH2 3.7Å; I536-W554 HydrophobicContact CB-CZ2 4.08Å; I536-W554 HydrophobicContact CB-CZ3 4.1Å; I536-W554 HydrophobicContact CG1-CH2 3.79Å; I536-W554 HydrophobicContact CG1-CZ3 3.73Å; I536-W554 HydrophobicContact CG2-CD2 4.21Å; I536-W554 HydrophobicContact CG2-CE3 4.12Å; I536-W554 HydrophobicContact CG2-CH2 3.47Å; I536-W554 VanDerWaalsContact CG2-CH2 3.47Å; I536-W554 HydrophobicContact CG2-CZ2 3.44Å; I536-W554 VanDerWaalsContact CG2-CZ2 3.44Å; I536-W554 HydrophobicContact CG2-CZ3 3.77Å; T550-W554 PolarHBondContact O-NE1 2.04Å; F551-W554 PolarHBondContact O-N 3.47Å; W554-F559 HydrophobicContact CD2-CE2 4.22Å; W554-F559 HydrophobicContact CE3-CD1 4.48Å; W554-F559 AromaticContact CE3-CD2 3.49Å; W554-F559 HydrophobicContact CE3-CD2 3.49Å; W554-F559 VanDerWaalsContact CE3-CD2 3.49Å; W554-F559 HydrophobicContact CE3-CE1 4.46Å; W554-F559 AromaticContact CE3-CE2 3.45Å; W554-F559 HydrophobicContact CE3-CE2 3.45Å; W554-F559 VanDerWaalsContact CE3-CE2 3.45Å; W554-F559 HydrophobicContact CE3-CG 4.03Å; W554-F559 AromaticContact CE3-CZ 3.97Å; W554-F559 HydrophobicContact CE3-CZ 3.97Å; W554-F559 HydrophobicContact CH2-CE1 4.4Å; W554-F559 HydrophobicContact CH2-CZ 4.22Å; W554-F559 AromaticContact CZ3-CD1 3.91Å; W554-F559 HydrophobicContact CZ3-CD1 3.91Å; W554-F559 AromaticContact CZ3-CD2 3.76Å; W554-F559 HydrophobicContact CZ3-CD2 3.76Å; W554-F559 AromaticContact CZ3-CE1 3.8Å; W554-F559 HydrophobicContact CZ3-CE1 3.8Å; W554-F559 AromaticContact CZ3-CE2 3.63Å; W554-F559 HydrophobicContact CZ3-CE2 3.63Å; W554-F559 AromaticContact CZ3-CG 3.9Å; W554-F559 HydrophobicContact CZ3-CG 3.9Å; W554-F559 AromaticContact CZ3-CZ 3.65Å; W554-F559 HydrophobicContact CZ3-CZ 3.65Å
555	Q	54	Low	65.2	Low	115 Å²	115	75.1 Å²	75.1	54%	0.537	38%	0.382	S	S	.	.			trans	-78.9	130	167.4	-68	-168.4	-45.1	0	0	109.1	H553 G557 K558	H553-Q555 PolarHBondContact O-N 3.18Å; Q555-G557 PolarHBondContact O-N 3.36Å; Q555-K558 HydrophobicContact CB-CD 4.09Å; Q555-K558 HydrophobicContact CB-CG 4.4Å; Q555-K558 PolarHBondContact O-N 3.23Å
556	D	60.5	Low	67.3	Low	126 Å²	126	69.1 Å²	69.1	67%	0.674	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	133.8	173.5	-67.9	-40.9	0	0	0	110
557	G	65.9	Low	69.7	Low	53 Å²	53	70 Å²	70	55%	0.546	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-6.1	179.8	0	0	0	0	0	116.6	L528 Q555	L528-G557 VanDerWaalsContact CD1-O 3.31Å; L528-G557 WeakPolarHBondContact CD1-O 3.33Å; Q555-G557 PolarHBondContact O-N 3.36Å
558	K	82.4	Confident	71.8	Confident	76 Å²	76	70.4 Å²	70.4	33%	0.33	36%	0.36	S	S	.	.	S	Bend	trans	-89.2	-19.9	174.5	-67.7	-173.4	-178.2	176.7	0	114.6	L528 I529 Q555	L528-K558 WeakPolarHBondContact CB-O 3.16Å; L528-K558 PolarHBondContact N-O 2.89Å; I529-K558 HydrophobicContact CD1-CD 3.8Å; I529-K558 HydrophobicContact CD1-CG 4.1Å; Q555-K558 HydrophobicContact CB-CD 4.09Å; Q555-K558 HydrophobicContact CB-CG 4.4Å; Q555-K558 PolarHBondContact O-N 3.23Å
559	F	89.6	Confident	73.7	Confident	31 Å²	31	70.8 Å²	70.8	14%	0.136	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140	-178.5	-60.3	-84.9	0	0	0	110.8	V427 A525 W526 D527 V534 W554	V427-F559 HydrophobicContact CB-CB 4.49Å; V427-F559 HydrophobicContact CG1-CB 3.95Å; V427-F559 HydrophobicContact CG1-CD2 4.36Å; V427-F559 HydrophobicContact CG2-CB 3.86Å; V427-F559 HydrophobicContact CG2-CG 4.37Å; A525-F559 HydrophobicContact CB-CB 4.2Å; A525-F559 HydrophobicContact CB-CD1 4.46Å; W526-F559 CarbonylContact O-C 3.53Å; W526-F559 WeakPolarHBondContact O-CA 3.43Å; D527-F559 HydrophobicContact CB-CD1 4.06Å; D527-F559 HydrophobicContact CB-CE1 3.83Å; V534-F559 HydrophobicContact CG2-CD1 4.18Å; V534-F559 HydrophobicContact CG2-CE1 3.86Å; W554-F559 HydrophobicContact CD2-CE2 4.22Å; W554-F559 HydrophobicContact CE3-CD1 4.48Å; W554-F559 AromaticContact CE3-CD2 3.49Å; W554-F559 HydrophobicContact CE3-CD2 3.49Å; W554-F559 VanDerWaalsContact CE3-CD2 3.49Å; W554-F559 HydrophobicContact CE3-CE1 4.46Å; W554-F559 AromaticContact CE3-CE2 3.45Å; W554-F559 HydrophobicContact CE3-CE2 3.45Å; W554-F559 VanDerWaalsContact CE3-CE2 3.45Å; W554-F559 HydrophobicContact CE3-CG 4.03Å; W554-F559 AromaticContact CE3-CZ 3.97Å; W554-F559 HydrophobicContact CE3-CZ 3.97Å; W554-F559 HydrophobicContact CH2-CE1 4.4Å; W554-F559 HydrophobicContact CH2-CZ 4.22Å; W554-F559 AromaticContact CZ3-CD1 3.91Å; W554-F559 HydrophobicContact CZ3-CD1 3.91Å; W554-F559 AromaticContact CZ3-CD2 3.76Å; W554-F559 HydrophobicContact CZ3-CD2 3.76Å; W554-F559 AromaticContact CZ3-CE1 3.8Å; W554-F559 HydrophobicContact CZ3-CE1 3.8Å; W554-F559 AromaticContact CZ3-CE2 3.63Å; W554-F559 HydrophobicContact CZ3-CE2 3.63Å; W554-F559 AromaticContact CZ3-CG 3.9Å; W554-F559 HydrophobicContact CZ3-CG 3.9Å; W554-F559 AromaticContact CZ3-CZ 3.65Å; W554-F559 HydrophobicContact CZ3-CZ 3.65Å
560	A	91.1	Very high	75.7	Confident	1 Å²	1	71 Å²	71	1%	0.008	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.4	170.9	0	0	0	0	0	109.8	V517 W526 L570	V517-A560 HydrophobicContact CG2-CB 4.12Å; V517-A560 WeakPolarHBondContact CG2-O 3.33Å; W526-A560 HydrophobicContact CB-CB 4.22Å; W526-A560 PolarHBondContact N-O 3.19Å; W526-A560 PolarHBondContact O-N 2.76Å; A560-L570 HydrophobicContact CB-CB 3.8Å; A560-L570 HydrophobicContact CB-CD1 4.09Å
561	Q	92.3	Very high	77.6	Confident	35 Å²	35	70.3 Å²	70.3	16%	0.164	36%	0.364	C	S	.	.			trans	-146.4	144.4	177.2	-173	176.8	36.4	0	0	109.3	V427 D521 P522 C524 A525 I536 V563	V427-Q561 HydrophobicContact CG2-CB 4.4Å; D521-Q561 PolarHBondContact O-NE2 3.07Å; P522-Q561 VanDerWaalsContact C-NE2 3.3Å; P522-Q561 PolarHBondContact O-NE2 3.22Å; C524-Q561 WeakPolarHBondContact O-CG 3.4Å; C524-Q561 PolarHBondContact O-NE2 2.82Å; A525-Q561 HydrophobicContact CB-CB 3.98Å; A525-Q561 HydrophobicContact CB-CG 4.42Å; I536-Q561 VanDerWaalsContact CD1-NE2 3.34Å; I536-Q561 VanDerWaalsContact CD1-OE1 3.25Å; Q561-V563 HydrophobicContact CG-CG2 4.42Å
562	S	92	Very high	79	Confident	21 Å²	21	71.4 Å²	71.4	15%	0.147	37%	0.373	C	S	.	.			trans	-151.9	105.2	171.2	-178.6	0	0	0	0	109.1	D565 G566 Q567	S562-D565 PolarHBondContact OG-N 3.27Å; S562-G566 PolarHBondContact O-N 3.43Å; S562-G566 PolarHBondContact OG-N 3.44Å; S562-Q567 WeakPolarHBondContact CB-O 3.45Å; S562-Q567 PolarHBondContact OG-O 2.9Å
563	V	91.8	Very high	79.6	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.018	37%	0.372	C	S	.	.	S	Bend	trans	-79.2	-41.9	178.7	-179.6	0	0	0	0	110.1	T426 Y432 V448 V450 Q520 P522 Q561	T426-V563 HydrophobicContact CG2-CG2 3.8Å; Y432-V563 HydrophobicContact CD1-CG1 4.39Å; Y432-V563 HydrophobicContact CD2-CB 4.31Å; Y432-V563 HydrophobicContact CD2-CG1 4.05Å; Y432-V563 HydrophobicContact CD2-CG2 4.18Å; Y432-V563 HydrophobicContact CE1-CG1 4.24Å; Y432-V563 HydrophobicContact CE2-CB 3.76Å; Y432-V563 HydrophobicContact CE2-CG1 3.88Å; Y432-V563 HydrophobicContact CE2-CG2 3.86Å; Y432-V563 HydrophobicContact CG-CG1 4.29Å; V448-V563 HydrophobicContact CG1-CG1 3.99Å; V450-V563 HydrophobicContact CG1-CG1 4.01Å; Q520-V563 WeakPolarHBondContact CB-O 3.47Å; Q520-V563 PolarHBondContact NE2-O 3.08Å; P522-V563 HydrophobicContact CB-CG2 4.2Å; P522-V563 HydrophobicContact CG-CG1 3.83Å; P522-V563 HydrophobicContact CG-CG2 4.06Å; Q561-V563 HydrophobicContact CG-CG2 4.42Å
564	A	90.1	Very high	79.4	Confident	34 Å²	34	67.1 Å²	67.1	28%	0.281	38%	0.375	S	S	.	.	S	Bend	trans	-69.4	-49.3	-174.5	0	0	0	0	0	113.8	V450 Q520	V450-A564 HydrophobicContact CB-CB 4.15Å; V450-A564 HydrophobicContact CG2-CB 4.24Å; Q520-A564 PolarHBondContact NE2-O 2.94Å
565	D	89.3	Confident	78.7	Confident	125 Å²	125	70.9 Å²	70.9	67%	0.668	40%	0.402	S	S	*	.	S	Bend	trans	-109.7	-14.6	-170.2	-57.5	-47	0	0	0	113.8	S562 Q567	S562-D565 PolarHBondContact OG-N 3.27Å; D565-Q567 PolarHBondContact O-N 3.44Å
566	G	92.1	Very high	77.9	Confident	4 Å²	4	69.8 Å²	69.8	4%	0.041	41%	0.407	C	S	.	.	S	Bend	trans	66.8	18	-175	0	0	0	0	0	113.9	V517 Q518 S562	V517-G566 WeakPolarHBondContact O-CA 3.39Å; Q518-G566 WeakPolarHBondContact CA-O 3.37Å; Q518-G566 PolarHBondContact N-O 3.01Å; S562-G566 PolarHBondContact O-N 3.43Å; S562-G566 PolarHBondContact OG-N 3.44Å
567	Q	91.2	Very high	76.7	Confident	148 Å²	148	72.7 Å²	72.7	69%	0.692	42%	0.417	S	S	*	.			trans	-135.1	145.9	179.1	-60	-175.1	21.9	0	0	111.5	S562 D565	S562-Q567 WeakPolarHBondContact CB-O 3.45Å; S562-Q567 PolarHBondContact OG-O 2.9Å; D565-Q567 PolarHBondContact O-N 3.44Å
568	S	88.9	Confident	75.1	Confident	29 Å²	29	74.7 Å²	74.7	20%	0.203	42%	0.422	C	S	.	.			trans	-140.7	138.2	177.8	-178.8	0	0	0	0	110.4	L570 C571	S568-L570 PolarHBondContact O-N 3.29Å; S568-L570 PolarHBondContact OG-N 3.15Å; S568-C571 PolarHBondContact O-N 3.11Å
569	S	86.5	Confident	72.7	Confident	92 Å²	92	76.4 Å²	76.4	64%	0.643	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-62.6	-25.5	174.9	52.9	0	0	0	0	112.8	C571 L572	S569-C571 PolarHBondContact O-N 3.29Å; S569-L572 WeakPolarHBondContact O-CB 3.42Å; S569-L572 WeakPolarHBondContact O-CD1 3.3Å; S569-L572 VanDerWaalsContact O-CG 3.31Å; S569-L572 WeakPolarHBondContact O-CG 3.42Å; S569-L572 PolarHBondContact O-N 2.93Å
570	L	86.8	Confident	69.9	Low	83 Å²	83	81.5 Å²	81.5	44%	0.435	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-68.8	-17.6	174.6	-62	171.7	0	0	0	112.7	L528 A560 S568	L528-L570 HydrophobicContact CD1-CB 4.29Å; L528-L570 HydrophobicContact CD1-CD1 4.11Å; L528-L570 HydrophobicContact CD1-CD2 4.47Å; A560-L570 HydrophobicContact CB-CB 3.8Å; A560-L570 HydrophobicContact CB-CD1 4.09Å; S568-L570 PolarHBondContact O-N 3.29Å; S568-L570 PolarHBondContact OG-N 3.15Å
571	C	87	Confident	66.8	Low	13 Å²	13	91 Å²	91	9%	0.088	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-99.3	14	176.6	-59.7	0	0	0	0	113.3	C513 V517 S568 S569	C513-C571 HydrophobicContact CB-CB 3.71Å; C513-C571 WeakPolarHBondContact CB-SG 3.24Å; C513-C571 PolarHBondContact O-SG 2.9Å; C513-C571 WeakPolarHBondContact SG-CA 3.19Å; C513-C571 WeakPolarHBondContact SG-CB 3.4Å; C513-C571 CovalentContact SG-SG 2.03Å; C513-C571 PolarHBondContact SG-SG 2.65Å; V517-C571 VanDerWaalsContact CG2-SG 3.51Å; S568-C571 PolarHBondContact O-N 3.11Å; S569-C571 PolarHBondContact O-N 3.29Å
572	L	75.9	Confident	63.8	Low	115 Å²	115	97.8 Å²	97.8	60%	0.602	54%	0.543	S	S	*	.	S	Bend	trans	-65.3	137.2	170.3	-71.2	165.8	0	0	0	108.5	S569 V574	S569-L572 WeakPolarHBondContact O-CB 3.42Å; S569-L572 WeakPolarHBondContact O-CD1 3.3Å; S569-L572 VanDerWaalsContact O-CG 3.31Å; S569-L572 WeakPolarHBondContact O-CG 3.42Å; S569-L572 PolarHBondContact O-N 2.93Å; L572-V574 VanDerWaalsContact C-N 3.29Å; L572-V574 PolarHBondContact O-N 3.23Å
573	N	59.4	Low	60.8	Low	134 Å²	134	104.9 Å²	104.9	72%	0.717	58%	0.576	S	S	*	*			trans	-62.8	98.3	172.4	-74.2	-9.3	0	0	0	106.6	V575	N573-V575 PolarHBondContact O-N 3.27Å
574	V	46.1	Very low	57.8	Low	128 Å²	128	112.1 Å²	112.1	78%	0.776	62%	0.615	S	S	*	*			trans	-66.5	93.7	160	-176.6	0	0	0	0	103.8	L572 S576	L572-V574 VanDerWaalsContact C-N 3.29Å; L572-V574 PolarHBondContact O-N 3.23Å; V574-S576 PolarHBondContact O-N 3.12Å
575	V	40.6	Very low	55	Low	123 Å²	123	119 Å²	119	75%	0.745	64%	0.641	S	S	*	*			trans	-52.5	106.8	152.2	178.5	0	0	0	0	102.7	N573 E577	N573-V575 PolarHBondContact O-N 3.27Å; V575-E577 VanDerWaalsContact C-N 3.27Å; V575-E577 PolarHBondContact O-N 3.07Å
576	S	37	Very low	52.1	Low	91 Å²	91	121.9 Å²	121.9	64%	0.636	66%	0.655	S	S	*	*			trans	-61	96.9	-178.8	50.8	0	0	0	0	107.1	V574 S578	V574-S576 PolarHBondContact O-N 3.12Å; S576-S578 PolarHBondContact O-N 3Å
577	E	34.1	Very low	49.1	Very low	188 Å²	188	125.5 Å²	125.5	88%	0.879	69%	0.685	S	S	*	*			trans	-67.6	67.5	159.6	-71.3	-177.7	164.9	0	0	107.3	V575 S579	V575-E577 VanDerWaalsContact C-N 3.27Å; V575-E577 PolarHBondContact O-N 3.07Å; E577-S579 PolarHBondContact O-N 2.7Å
578	S	34.2	Very low	46.5	Very low	94 Å²	94	124.2 Å²	124.2	66%	0.657	69%	0.69	S	S	*	*			trans	-72.2	109.6	157.8	52.2	0	0	0	0	105.8	S576 D580	S576-S578 PolarHBondContact O-N 3Å; S578-D580 PolarHBondContact O-N 3.3Å
579	S	30.7	Very low	43.6	Very low	112 Å²	112	127.1 Å²	127.1	78%	0.783	72%	0.716	S	S	*	*			trans	-38.4	94.9	165.1	51.3	0	0	0	0	112.2	E577	E577-S579 PolarHBondContact O-N 2.7Å
580	D	31.1	Very low	40.9	Very low	139 Å²	139	132 Å²	132	74%	0.743	73%	0.726	S	S	*	*			trans	-146.1	93.6	151.4	-95.1	-35	0	0	0	108	S578 F582	S578-D580 PolarHBondContact O-N 3.3Å; D580-F582 PolarHBondContact O-N 2.85Å
581	F	26.7	Very low	38.5	Very low	199 Å²	199	133.3 Å²	133.3	87%	0.873	74%	0.739	S	S	*	*			trans	-64.4	75.8	167.5	-173.3	-96	0	0	0	108.4
582	F	29.2	Very low	35.9	Very low	178 Å²	178	140 Å²	140	78%	0.781	77%	0.773	S	S	*	*			trans	-125.5	100.6	162.4	-87.2	-80.8	0	0	0	109	D580 N584	D580-F582 PolarHBondContact O-N 2.85Å; F582-N584 VanDerWaalsContact C-N 3.32Å; F582-N584 PolarHBondContact O-N 2.79Å
583	M	28	Very low	34.2	Very low	171 Å²	171	140.5 Å²	140.5	84%	0.842	78%	0.78	S	S	*	*			trans	-54.3	96.9	155.8	-77.6	-89.8	-94.6	0	0	108.1
584	N	28.5	Very low	33.2	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	78%	0.781	S	S	*	*			trans	-164.1	135	148.9	-105.1	-14.2	0	0	0	111	F582	F582-N584 VanDerWaalsContact C-N 3.32Å; F582-N584 PolarHBondContact O-N 2.79Å
585	E	31	Very low	32.9	Very low	180 Å²	180	139 Å²	139	84%	0.841	78%	0.776	S	S	*	*			trans	73.4	85.1	169.6	-57.5	-165.9	163.9	0	0	116.3	A587	E585-A587 PolarHBondContact O-N 3.06Å
586	L	29	Very low	33	Very low	184 Å²	184	137.9 Å²	137.9	96%	0.963	77%	0.771	S	S	*	*			trans	-49	75.1	142.8	-74.1	143.8	0	0	0	110.5
587	A	30	Very low	33.6	Very low	81 Å²	81	137.9 Å²	137.9	67%	0.669	77%	0.771	S	S	*	*			trans	-76.9	121	156.3	0	0	0	0	0	106.5	E585 A589	E585-A587 PolarHBondContact O-N 3.06Å; A587-A589 PolarHBondContact O-N 3.39Å
588	P	34.8	Very low	34.7	Very low	120 Å²	120	135.3 Å²	135.3	78%	0.779	76%	0.762	S	S	*	*			trans	-59.3	126.8	-175.4	23.5	-31	0	0	0	108.5	F590	P588-F590 PolarHBondContact O-N 2.97Å; P588-F590 VanDerWaalsContact O-N 3.09Å
589	A	29.9	Very low	36	Very low	91 Å²	91	137.9 Å²	137.9	75%	0.752	76%	0.758	S	S	*	*			trans	-43.9	123.7	166.7	0	0	0	0	0	107.6	A587 P591	A587-A589 PolarHBondContact O-N 3.39Å; A589-P591 VanDerWaalsContact O-N 3.08Å
590	F	29.6	Very low	38.1	Very low	195 Å²	195	135.6 Å²	135.6	86%	0.855	74%	0.74	S	S	*	*			trans	-41.3	123.7	165.8	-72.2	-88.2	0	0	0	106.7	P588 L592	P588-F590 PolarHBondContact O-N 2.97Å; P588-F590 VanDerWaalsContact O-N 3.09Å; F590-L592 PolarHBondContact O-N 2.91Å
591	P	35.9	Very low	40	Very low	110 Å²	110	132.8 Å²	132.8	71%	0.714	74%	0.736	S	S	*	*			trans	-54.5	119.3	175.8	21.9	-29.3	0	0	0	104.8	A589 V593	A589-P591 VanDerWaalsContact O-N 3.08Å; P591-V593 PolarHBondContact O-N 2.79Å
592	L	33	Very low	42.4	Very low	153 Å²	153	130.3 Å²	130.3	80%	0.801	73%	0.727	S	S	*	*			trans	-44.2	112.3	146.9	-83.4	158.6	0	0	0	102.5	F590 D594	F590-L592 PolarHBondContact O-N 2.91Å; L592-D594 PolarHBondContact O-N 2.85Å
593	V	40.3	Very low	44.6	Very low	125 Å²	125	124.6 Å²	124.6	76%	0.758	71%	0.708	S	S	*	*			trans	-61.1	88.2	159.2	179	0	0	0	0	101.1	P591 S595	P591-V593 PolarHBondContact O-N 2.79Å; V593-S595 PolarHBondContact O-N 3.18Å
594	D	38.5	Very low	46.9	Very low	135 Å²	135	121.7 Å²	121.7	72%	0.722	69%	0.694	S	S	*	*			trans	-49.6	92.2	148	-85.5	-25.8	0	0	0	101.1	L592 P596	L592-D594 PolarHBondContact O-N 2.85Å; D594-P596 WeakPolarHBondContact O-CD 3.16Å
595	S	39.3	Very low	49.3	Very low	97 Å²	97	118.1 Å²	118.1	68%	0.678	68%	0.678	S	S	*	*			trans	-48.4	106.2	157	42.1	0	0	0	0	101.5	V593 S597	V593-S595 PolarHBondContact O-N 3.18Å; S595-S597 PolarHBondContact O-N 3.31Å
596	P	43	Very low	51.9	Low	99 Å²	99	114.1 Å²	114.1	64%	0.643	66%	0.661	S	S	*	*			trans	-52.6	127	-173.8	19.8	-30.2	0	0	0	103.8	D594 I598	D594-P596 WeakPolarHBondContact O-CD 3.16Å; P596-I598 WeakPolarHBondContact O-CG1 3.37Å; P596-I598 PolarHBondContact O-N 3.43Å
597	S	48.7	Very low	54.4	Low	90 Å²	90	107.5 Å²	107.5	63%	0.629	63%	0.633	S	S	*	*			trans	-52.8	105	164.7	44.9	0	0	0	0	103.9	S595 Y599	S595-S597 PolarHBondContact O-N 3.31Å; S597-Y599 CarbonylContact O-C 3.57Å; S597-Y599 PolarHBondContact O-N 2.83Å
598	I	58.1	Low	57.1	Low	134 Å²	134	108 Å²	108	69%	0.687	62%	0.624	S	S	*	*	S	Bend	trans	-58.1	-16.5	-173.6	-65.7	175.5	0	0	0	109	P596	P596-I598 WeakPolarHBondContact O-CG1 3.37Å; P596-I598 PolarHBondContact O-N 3.43Å
599	Y	60.8	Low	59.8	Low	148 Å²	148	107.2 Å²	107.2	58%	0.58	61%	0.612	S	S	*	*	S	Bend	trans	-126.4	111.9	171.7	-51.9	-76.3	0	0	0	109.7	S597 C603	S597-Y599 CarbonylContact O-C 3.57Å; S597-Y599 PolarHBondContact O-N 2.83Å; Y599-C603 HydrophobicContact CD1-CB 4.36Å
600	T	74.2	Confident	62.7	Low	65 Å²	65	107.2 Å²	107.2	40%	0.399	60%	0.598	S	S	.	*			trans	-62.4	157.2	157.8	60.4	0	0	0	0	108.8	E602 C603 M604	T600-E602 PolarHBondContact O-N 2.89Å; T600-E602 VanDerWaalsContact O-N 3.11Å; T600-C603 WeakPolarHBondContact O-CB 3.33Å; T600-C603 PolarHBondContact O-N 2.93Å; T600-C603 PolarHBondContact OG1-N 3.34Å; T600-C603 VanDerWaalsContact OG1-N 3.09Å; T600-C603 PolarHBondContact OG1-SG 2.98Å; T600-C603 VanDerWaalsContact OG1-SG 3.32Å; T600-M604 PolarHBondContact O-N 3.03Å
601	A	72.5	Confident	65.7	Low	80 Å²	80	102.3 Å²	102.3	66%	0.661	58%	0.584	S	S	*	*	H	α-helix	trans	-53.7	-32	173	0	0	0	0	0	111.6	T605	A601-T605 WeakPolarHBondContact O-CB 3.35Å; A601-T605 PolarHBondContact O-N 2.77Å; A601-T605 PolarHBondContact O-OG1 2.89Å
602	E	76	Confident	68.3	Low	147 Å²	147	102.5 Å²	102.5	69%	0.687	58%	0.579	S	S	*	*	H	α-helix	trans	-65.6	-47.5	173.1	-62.2	-177.5	163.5	0	0	112.1	T600 M604 T605 I606	T600-E602 PolarHBondContact O-N 2.89Å; T600-E602 VanDerWaalsContact O-N 3.11Å; E602-M604 PolarHBondContact O-N 3.44Å; E602-T605 PolarHBondContact O-N 3.23Å; E602-I606 WeakPolarHBondContact O-CB 3.49Å; E602-I606 VanDerWaalsContact O-CG1 3.24Å; E602-I606 WeakPolarHBondContact O-CG1 3.48Å; E602-I606 PolarHBondContact O-N 3.48Å
603	C	76.5	Confident	71.1	Confident	57 Å²	57	97.9 Å²	97.9	39%	0.385	56%	0.562	S	S	.	*	H	α-helix	trans	-60.4	-42.3	175.4	-72.8	0	0	0	0	112.4	Y599 T600 I606 A607	Y599-C603 HydrophobicContact CD1-CB 4.36Å; T600-C603 WeakPolarHBondContact O-CB 3.33Å; T600-C603 PolarHBondContact O-N 2.93Å; T600-C603 PolarHBondContact OG1-N 3.34Å; T600-C603 VanDerWaalsContact OG1-N 3.09Å; T600-C603 PolarHBondContact OG1-SG 2.98Å; T600-C603 VanDerWaalsContact OG1-SG 3.32Å; C603-I606 PolarHBondContact O-N 3.21Å; C603-A607 VanDerWaalsContact O-CB 3.29Å; C603-A607 WeakPolarHBondContact O-CB 3.21Å; C603-A607 PolarHBondContact O-N 3.17Å
604	M	75.2	Confident	73.6	Confident	110 Å²	110	96.9 Å²	96.9	54%	0.542	55%	0.552	S	S	.	*	H	α-helix	trans	-60.5	-45.6	174.1	-94.7	-106.1	-170.1	0	0	111.4	T600 E602 A607 I608	T600-M604 PolarHBondContact O-N 3.03Å; E602-M604 PolarHBondContact O-N 3.44Å; M604-A607 PolarHBondContact O-N 2.75Å; M604-I608 WeakPolarHBondContact O-CD1 3.31Å; M604-I608 VanDerWaalsContact O-CG1 3.24Å; M604-I608 WeakPolarHBondContact O-CG1 3.36Å; M604-I608 PolarHBondContact O-N 3.41Å
605	T	79.8	Confident	76.2	Confident	79 Å²	79	93.1 Å²	93.1	49%	0.485	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-43.4	179.7	-52.3	0	0	0	0	111.1	A601 E602 I608 I609	A601-T605 WeakPolarHBondContact O-CB 3.35Å; A601-T605 PolarHBondContact O-N 2.77Å; A601-T605 PolarHBondContact O-OG1 2.89Å; E602-T605 PolarHBondContact O-N 3.23Å; T605-I608 PolarHBondContact O-N 3.4Å; T605-I609 HydrophobicContact CG2-CD1 4.05Å; T605-I609 VanDerWaalsContact O-CG1 3.27Å; T605-I609 WeakPolarHBondContact O-CG1 3.4Å; T605-I609 PolarHBondContact O-N 3.29Å
606	I	84	Confident	78.8	Confident	96 Å²	96	92.5 Å²	92.5	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-62.6	-44.6	175.6	-67.8	165.5	0	0	0	110.6	E602 C603 I608 I609 I610	E602-I606 WeakPolarHBondContact O-CB 3.49Å; E602-I606 VanDerWaalsContact O-CG1 3.24Å; E602-I606 WeakPolarHBondContact O-CG1 3.48Å; E602-I606 PolarHBondContact O-N 3.48Å; C603-I606 PolarHBondContact O-N 3.21Å; I606-I608 PolarHBondContact O-N 3.16Å; I606-I609 PolarHBondContact O-N 3.24Å; I606-I610 HydrophobicContact CG2-CD1 3.62Å; I606-I610 HydrophobicContact CG2-CG1 4.3Å; I606-I610 WeakPolarHBondContact O-CB 3.31Å; I606-I610 VanDerWaalsContact O-CG1 3.28Å; I606-I610 WeakPolarHBondContact O-CG1 3.45Å; I606-I610 PolarHBondContact O-N 2.84Å
607	A	82.4	Confident	81	Confident	45 Å²	45	91.1 Å²	91.1	37%	0.372	53%	0.525	S	S	.	.	H	α-helix	trans	-62.7	-40.9	177.9	0	0	0	0	0	112.2	C603 M604 T611	C603-A607 VanDerWaalsContact O-CB 3.29Å; C603-A607 WeakPolarHBondContact O-CB 3.21Å; C603-A607 PolarHBondContact O-N 3.17Å; M604-A607 PolarHBondContact O-N 2.75Å; A607-T611 VanDerWaalsContact O-CB 3.29Å; A607-T611 WeakPolarHBondContact O-CB 3.42Å; A607-T611 PolarHBondContact O-N 3.06Å; A607-T611 PolarHBondContact O-OG1 3.44Å
608	I	85.9	Confident	83.1	Confident	93 Å²	93	90.9 Å²	90.9	48%	0.477	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-46.2	175.5	-69.5	164.8	0	0	0	110.4	M604 T605 I606 T611 L612	M604-I608 WeakPolarHBondContact O-CD1 3.31Å; M604-I608 VanDerWaalsContact O-CG1 3.24Å; M604-I608 WeakPolarHBondContact O-CG1 3.36Å; M604-I608 PolarHBondContact O-N 3.41Å; T605-I608 PolarHBondContact O-N 3.4Å; I606-I608 PolarHBondContact O-N 3.16Å; I608-T611 PolarHBondContact O-N 3.15Å; I608-L612 HydrophobicContact CG2-CD1 3.89Å; I608-L612 HydrophobicContact CG2-CG 4.48Å; I608-L612 WeakPolarHBondContact O-CB 3.44Å; I608-L612 WeakPolarHBondContact O-CG 3.41Å; I608-L612 PolarHBondContact O-N 3.08Å
609	I	91.2	Very high	84.7	Confident	103 Å²	103	87.5 Å²	87.5	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-45.7	178.9	-68.9	168.1	0	0	0	111.2	T605 I606 T611 L612 A613	T605-I609 HydrophobicContact CG2-CD1 4.05Å; T605-I609 VanDerWaalsContact O-CG1 3.27Å; T605-I609 WeakPolarHBondContact O-CG1 3.4Å; T605-I609 PolarHBondContact O-N 3.29Å; I606-I609 PolarHBondContact O-N 3.24Å; I609-T611 VanDerWaalsContact C-N 3.33Å; I609-T611 PolarHBondContact O-N 3.07Å; I609-L612 PolarHBondContact O-N 2.98Å; I609-A613 WeakPolarHBondContact O-CB 3.33Å; I609-A613 PolarHBondContact O-N 3.03Å
610	I	91.5	Very high	86.2	Confident	91 Å²	91	87 Å²	87	47%	0.467	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-42.8	178.3	-71.2	171	0	0	0	110.7	I606 A613 L614	I606-I610 HydrophobicContact CG2-CD1 3.62Å; I606-I610 HydrophobicContact CG2-CG1 4.3Å; I606-I610 WeakPolarHBondContact O-CB 3.31Å; I606-I610 VanDerWaalsContact O-CG1 3.28Å; I606-I610 WeakPolarHBondContact O-CG1 3.45Å; I606-I610 PolarHBondContact O-N 2.84Å; I610-A613 PolarHBondContact O-N 2.82Å; I610-L614 HydrophobicContact CG2-CD1 3.79Å; I610-L614 WeakPolarHBondContact O-CB 3.15Å; I610-L614 PolarHBondContact O-N 2.91Å
611	T	91.8	Very high	87	Confident	91 Å²	91	90.1 Å²	90.1	56%	0.558	52%	0.521	S	S	*	.	H	α-helix	trans	-66.5	-41.9	-179.2	-54.7	0	0	0	0	111.3	A607 I608 I609 L614 A615	A607-T611 VanDerWaalsContact O-CB 3.29Å; A607-T611 WeakPolarHBondContact O-CB 3.42Å; A607-T611 PolarHBondContact O-N 3.06Å; A607-T611 PolarHBondContact O-OG1 3.44Å; I608-T611 PolarHBondContact O-N 3.15Å; I609-T611 VanDerWaalsContact C-N 3.33Å; I609-T611 PolarHBondContact O-N 3.07Å; T611-L614 PolarHBondContact O-N 3.25Å; T611-A615 VanDerWaalsContact O-CB 3.28Å; T611-A615 WeakPolarHBondContact O-CB 3.05Å; T611-A615 PolarHBondContact O-N 2.87Å
612	L	92.2	Very high	87.8	Confident	115 Å²	115	90.1 Å²	90.1	60%	0.602	51%	0.513	S	S	*	.	H	α-helix	trans	-65.1	-40.4	174.6	-73.1	171	0	0	0	112	I608 I609 A615 S616	I608-L612 HydrophobicContact CG2-CD1 3.89Å; I608-L612 HydrophobicContact CG2-CG 4.48Å; I608-L612 WeakPolarHBondContact O-CB 3.44Å; I608-L612 WeakPolarHBondContact O-CG 3.41Å; I608-L612 PolarHBondContact O-N 3.08Å; I609-L612 PolarHBondContact O-N 2.98Å; L612-A615 PolarHBondContact O-N 3.1Å; L612-S616 VanDerWaalsContact O-CB 3.3Å; L612-S616 WeakPolarHBondContact O-CB 3.33Å; L612-S616 PolarHBondContact O-N 3.15Å
613	A	91.9	Very high	88.4	Confident	55 Å²	55	85 Å²	85	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-65.6	-43.2	176.6	0	0	0	0	0	112.3	I609 I610 S616 T617	I609-A613 WeakPolarHBondContact O-CB 3.33Å; I609-A613 PolarHBondContact O-N 3.03Å; I610-A613 PolarHBondContact O-N 2.82Å; A613-S616 PolarHBondContact O-N 2.75Å; A613-T617 WeakPolarHBondContact O-CB 3.16Å; A613-T617 WeakPolarHBondContact O-CG2 3.34Å; A613-T617 PolarHBondContact O-N 2.92Å; A613-T617 PolarHBondContact O-OG1 2.95Å
614	L	93	Very high	88.8	Confident	104 Å²	104	88.3 Å²	88.3	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-44.7	174.3	-81.6	163.6	0	0	0	111.8	I610 T611 S616 T617 V618	I610-L614 HydrophobicContact CG2-CD1 3.79Å; I610-L614 WeakPolarHBondContact O-CB 3.15Å; I610-L614 PolarHBondContact O-N 2.91Å; T611-L614 PolarHBondContact O-N 3.25Å; L614-S616 VanDerWaalsContact C-N 3.35Å; L614-S616 PolarHBondContact O-N 2.92Å; L614-T617 WeakPolarHBondContact CA-OG1 3.46Å; L614-T617 PolarHBondContact O-N 2.89Å; L614-T617 PolarHBondContact O-OG1 3.09Å; L614-V618 WeakPolarHBondContact O-CB 3.41Å; L614-V618 VanDerWaalsContact O-CG2 3.26Å; L614-V618 WeakPolarHBondContact O-CG2 3.43Å; L614-V618 PolarHBondContact O-N 2.93Å
615	A	92.9	Very high	89.1	Confident	57 Å²	57	92 Å²	92	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-42.9	177.4	0	0	0	0	0	111.6	T611 L612 A619	T611-A615 VanDerWaalsContact O-CB 3.28Å; T611-A615 WeakPolarHBondContact O-CB 3.05Å; T611-A615 PolarHBondContact O-N 2.87Å; L612-A615 PolarHBondContact O-N 3.1Å; A615-A619 VanDerWaalsContact O-CB 3.23Å; A615-A619 WeakPolarHBondContact O-CB 3.1Å; A615-A619 PolarHBondContact O-N 3.11Å
616	S	92	Very high	88.9	Confident	83 Å²	83	94.3 Å²	94.3	58%	0.58	52%	0.516	S	S	*	.	H	α-helix	trans	-66.6	-39.1	178.3	-167	0	0	0	0	112.2	L612 A613 L614 F620	L612-S616 VanDerWaalsContact O-CB 3.3Å; L612-S616 WeakPolarHBondContact O-CB 3.33Å; L612-S616 PolarHBondContact O-N 3.15Å; A613-S616 PolarHBondContact O-N 2.75Å; L614-S616 VanDerWaalsContact C-N 3.35Å; L614-S616 PolarHBondContact O-N 2.92Å; S616-F620 WeakPolarHBondContact O-CB 3.27Å; S616-F620 PolarHBondContact O-N 3.37Å
617	T	91.2	Very high	88.5	Confident	70 Å²	70	92.3 Å²	92.3	43%	0.429	51%	0.514	S	S	.	.	H	α-helix	trans	-70	-43.9	177.2	47.3	0	0	0	0	111.8	A613 L614 A619 F620 F621	A613-T617 WeakPolarHBondContact O-CB 3.16Å; A613-T617 WeakPolarHBondContact O-CG2 3.34Å; A613-T617 PolarHBondContact O-N 2.92Å; A613-T617 PolarHBondContact O-OG1 2.95Å; L614-T617 WeakPolarHBondContact CA-OG1 3.46Å; L614-T617 PolarHBondContact O-N 2.89Å; L614-T617 PolarHBondContact O-OG1 3.09Å; T617-A619 PolarHBondContact O-N 3.26Å; T617-F620 PolarHBondContact O-N 3.38Å; T617-F621 WeakPolarHBondContact O-CD2 3.44Å; T617-F621 PolarHBondContact O-N 3.37Å
618	V	92.4	Very high	88	Confident	86 Å²	86	93.7 Å²	93.7	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-46	175.3	172.5	0	0	0	0	110.8	L614 F620 F621 V622	L614-V618 WeakPolarHBondContact O-CB 3.41Å; L614-V618 VanDerWaalsContact O-CG2 3.26Å; L614-V618 WeakPolarHBondContact O-CG2 3.43Å; L614-V618 PolarHBondContact O-N 2.93Å; V618-F620 VanDerWaalsContact C-N 3.31Å; V618-F620 PolarHBondContact O-N 3.2Å; V618-F621 PolarHBondContact O-N 2.77Å; V618-V622 HydrophobicContact CG1-CG2 4.27Å; V618-V622 WeakPolarHBondContact O-CB 3.32Å; V618-V622 VanDerWaalsContact O-CG2 3.31Å; V618-V622 WeakPolarHBondContact O-CG2 3.02Å; V618-V622 PolarHBondContact O-N 3.14Å
619	A	90.8	Very high	87	Confident	62 Å²	62	97.3 Å²	97.3	51%	0.512	52%	0.522	S	S	.	.	H	α-helix	trans	-60.8	-40.4	176.7	0	0	0	0	0	112.1	A615 T617 G623	A615-A619 VanDerWaalsContact O-CB 3.23Å; A615-A619 WeakPolarHBondContact O-CB 3.1Å; A615-A619 PolarHBondContact O-N 3.11Å; T617-A619 PolarHBondContact O-N 3.26Å; A619-G623 PolarHBondContact O-N 3.23Å
620	F	93.5	Very high	85.2	Confident	138 Å²	138	100 Å²	100	61%	0.605	53%	0.53	S	S	*	.	H	α-helix	trans	-62.5	-46.5	174.6	-179	-95.4	0	0	0	112	S616 T617 V618 G623 Y624	S616-F620 WeakPolarHBondContact O-CB 3.27Å; S616-F620 PolarHBondContact O-N 3.37Å; T617-F620 PolarHBondContact O-N 3.38Å; V618-F620 VanDerWaalsContact C-N 3.31Å; V618-F620 PolarHBondContact O-N 3.2Å; F620-G623 PolarHBondContact O-N 3.19Å; F620-Y624 WeakPolarHBondContact O-CB 3.33Å; F620-Y624 PolarHBondContact O-N 2.05Å
621	F	91.1	Very high	83.4	Confident	130 Å²	130	102 Å²	102	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-66.9	-39.7	178.8	-83.1	-70.8	0	0	0	112.9	T617 V618 Y624 R625	T617-F621 WeakPolarHBondContact O-CD2 3.44Å; T617-F621 PolarHBondContact O-N 3.37Å; V618-F621 PolarHBondContact O-N 2.77Å; F621-Y624 PolarHBondContact O-N 3.15Å; F621-R625 VanDerWaalsContact O-CB 3.32Å; F621-R625 WeakPolarHBondContact O-CB 3.33Å; F621-R625 VanDerWaalsContact O-CG 3.22Å; F621-R625 WeakPolarHBondContact O-CG 3.31Å; F621-R625 PolarHBondContact O-N 2.88Å
622	V	88.4	Confident	81.4	Confident	81 Å²	81	101.9 Å²	101.9	49%	0.491	54%	0.544	S	S	.	.	H	α-helix	trans	-64.5	-46.3	174.9	172.5	0	0	0	0	110.2	V618 R625 F626	V618-V622 HydrophobicContact CG1-CG2 4.27Å; V618-V622 WeakPolarHBondContact O-CB 3.32Å; V618-V622 VanDerWaalsContact O-CG2 3.31Å; V618-V622 WeakPolarHBondContact O-CG2 3.02Å; V618-V622 PolarHBondContact O-N 3.14Å; V622-R625 PolarHBondContact O-N 3.15Å; V622-F626 HydrophobicContact CG1-CD2 4.19Å; V622-F626 WeakPolarHBondContact O-CB 3.26Å; V622-F626 PolarHBondContact O-N 2.73Å
623	G	87.8	Confident	79	Confident	39 Å²	39	102.5 Å²	102.5	40%	0.402	54%	0.542	S	S	.	.	H	α-helix	trans	-61.6	-42.9	175.7	0	0	0	0	0	112.7	A619 F620 F626 A627	A619-G623 PolarHBondContact O-N 3.23Å; F620-G623 PolarHBondContact O-N 3.19Å; G623-F626 PolarHBondContact O-N 3.25Å; G623-A627 WeakPolarHBondContact O-CB 3.12Å; G623-A627 PolarHBondContact O-N 3.09Å
624	Y	85.8	Confident	76.6	Confident	126 Å²	126	107.2 Å²	107.2	49%	0.494	56%	0.56	S	S	.	*	H	α-helix	trans	-65.9	-41.9	177.3	-178.1	-106.7	0	0	0	112.1	F620 F621 A627 L628	F620-Y624 WeakPolarHBondContact O-CB 3.33Å; F620-Y624 PolarHBondContact O-N 2.05Å; F621-Y624 PolarHBondContact O-N 3.15Å; Y624-A627 PolarHBondContact O-N 3.44Å; Y624-L628 HydrophobicContact CD1-CD1 3.76Å; Y624-L628 HydrophobicContact CE1-CD1 3.24Å; Y624-L628 HydrophobicContact CE1-CG 4.16Å; Y624-L628 HydrophobicContact CE2-CD1 4.38Å; Y624-L628 HydrophobicContact CE2-CG 4.47Å; Y624-L628 WeakPolarHBondContact O-CB 3.16Å; Y624-L628 PolarHBondContact O-N 2.97Å
625	R	80.7	Confident	74.1	Confident	189 Å²	189	106.3 Å²	106.3	71%	0.713	57%	0.567	S	S	*	*	H	α-helix	trans	-61.1	-43.8	172.2	-76.8	-72.1	-158.8	-179.7	4.5	111.3	F621 V622 L628 W629	F621-R625 VanDerWaalsContact O-CB 3.32Å; F621-R625 WeakPolarHBondContact O-CB 3.33Å; F621-R625 VanDerWaalsContact O-CG 3.22Å; F621-R625 WeakPolarHBondContact O-CG 3.31Å; F621-R625 PolarHBondContact O-N 2.88Å; V622-R625 PolarHBondContact O-N 3.15Å; R625-L628 PolarHBondContact O-N 2.9Å; R625-W629 WeakPolarHBondContact O-CB 3.24Å; R625-W629 PolarHBondContact O-N 3.39Å
626	F	77.2	Confident	71.4	Confident	127 Å²	127	109 Å²	109	56%	0.557	58%	0.577	S	S	*	*	H	α-helix	trans	-63.6	-39	175.2	-105	-82.8	0	0	0	112.6	V622 G623 W629 K630	V622-F626 HydrophobicContact CG1-CD2 4.19Å; V622-F626 WeakPolarHBondContact O-CB 3.26Å; V622-F626 PolarHBondContact O-N 2.73Å; G623-F626 PolarHBondContact O-N 3.25Å; F626-W629 PolarHBondContact O-N 2.88Å; F626-K630 PolarHBondContact O-N 2.79Å
627	A	75.7	Confident	68.8	Low	53 Å²	53	110.8 Å²	110.8	44%	0.438	59%	0.587	S	S	.	*	H	α-helix	trans	-66.7	-44.2	176.8	0	0	0	0	0	112	G623 Y624 W629 K630 L631	G623-A627 WeakPolarHBondContact O-CB 3.12Å; G623-A627 PolarHBondContact O-N 3.09Å; Y624-A627 PolarHBondContact O-N 3.44Å; A627-W629 VanDerWaalsContact C-N 3.3Å; A627-W629 PolarHBondContact O-N 3.3Å; A627-K630 PolarHBondContact O-N 2.87Å; A627-L631 PolarHBondContact O-N 3.35Å
628	L	70.7	Confident	66	Low	74 Å²	74	111 Å²	111	39%	0.387	60%	0.603	S	S	.	*	H	α-helix	trans	-62.5	-37.6	173.4	-82	169	0	0	0	112.2	Y624 R625 L631	Y624-L628 HydrophobicContact CD1-CD1 3.76Å; Y624-L628 HydrophobicContact CE1-CD1 3.24Å; Y624-L628 HydrophobicContact CE1-CG 4.16Å; Y624-L628 HydrophobicContact CE2-CD1 4.38Å; Y624-L628 HydrophobicContact CE2-CG 4.47Å; Y624-L628 WeakPolarHBondContact O-CB 3.16Å; Y624-L628 PolarHBondContact O-N 2.97Å; R625-L628 PolarHBondContact O-N 2.9Å; L628-L631 PolarHBondContact O-N 2.66Å
629	W	66	Low	63.1	Low	169 Å²	169	116.5 Å²	116.5	64%	0.64	62%	0.62	S	S	*	*	H	α-helix	trans	-70.1	-36.1	178.3	-151.9	44.7	0	0	0	111.8	R625 F626 A627 L631 S632 F633	R625-W629 WeakPolarHBondContact O-CB 3.24Å; R625-W629 PolarHBondContact O-N 3.39Å; F626-W629 PolarHBondContact O-N 2.88Å; A627-W629 VanDerWaalsContact C-N 3.3Å; A627-W629 PolarHBondContact O-N 3.3Å; W629-L631 VanDerWaalsContact C-N 3.33Å; W629-L631 PolarHBondContact O-N 2.61Å; W629-S632 PolarHBondContact O-N 3.4Å; W629-F633 HydrophobicContact CZ2-CE2 4.49Å
630	K	53	Low	60.3	Low	161 Å²	161	121.1 Å²	121.1	70%	0.7	64%	0.637	S	S	*	*	H	α-helix	trans	-65.4	-31.3	173.3	-91.1	-167.3	173.5	-175.5	0	113.7	F626 A627 S632 F633	F626-K630 PolarHBondContact O-N 2.79Å; A627-K630 PolarHBondContact O-N 2.87Å; K630-S632 PolarHBondContact O-N 3.19Å; K630-S632 VanDerWaalsContact O-N 3.15Å; K630-F633 PolarHBondContact O-N 3.25Å; K630-F633 VanDerWaalsContact O-N 3.16Å
631	L	52.3	Low	57.3	Low	131 Å²	131	118.6 Å²	118.6	69%	0.686	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-12.6	174.8	-86.9	155.6	0	0	0	113.6	A627 L628 W629	A627-L631 PolarHBondContact O-N 3.35Å; L628-L631 PolarHBondContact O-N 2.66Å; W629-L631 VanDerWaalsContact C-N 3.33Å; W629-L631 PolarHBondContact O-N 2.61Å
632	S	49.9	Very low	54.5	Low	90 Å²	90	118.7 Å²	118.7	63%	0.629	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-2.3	176.2	-51.7	0	0	0	0	113.9	W629 K630	W629-S632 PolarHBondContact O-N 3.4Å; K630-S632 PolarHBondContact O-N 3.19Å; K630-S632 VanDerWaalsContact O-N 3.15Å
633	F	43	Very low	51.9	Low	128 Å²	128	122.6 Å²	122.6	56%	0.561	67%	0.667	S	S	*	*			trans	-107.6	13.1	-174	-87.9	-79.8	0	0	0	115.1	W629 K630 A635	W629-F633 HydrophobicContact CZ2-CE2 4.49Å; K630-F633 PolarHBondContact O-N 3.25Å; K630-F633 VanDerWaalsContact O-N 3.16Å; F633-A635 PolarHBondContact O-N 3.43Å
634	D	41.2	Very low	49.1	Very low	153 Å²	153	131.5 Å²	131.5	82%	0.818	69%	0.688	S	S	*	*	S	Bend	trans	-78.5	27.1	173.9	-79.3	-20.3	0	0	0	113.9
635	A	39.7	Very low	46.4	Very low	85 Å²	85	134.4 Å²	134.4	70%	0.702	70%	0.703	S	S	*	*			trans	-141	48.9	178.9	0	0	0	0	0	113.3	F633	F633-A635 PolarHBondContact O-N 3.43Å
636	V	36.9	Very low	44.1	Very low	113 Å²	113	131.8 Å²	131.8	69%	0.685	70%	0.704	S	S	*	*			trans	-135.8	110.1	159.4	-172.5	0	0	0	0	110	G638	V636-G638 PolarHBondContact O-N 3.32Å
637	P	36.8	Very low	42.1	Very low	122 Å²	122	132.5 Å²	132.5	79%	0.792	72%	0.718	S	S	*	*			trans	-71.1	126.3	177.4	27	-30.2	0	0	0	111.1
638	G	33.9	Very low	40	Very low	73 Å²	73	138.9 Å²	138.9	75%	0.753	74%	0.736	S	S	*	*			trans	50.9	77.2	146.8	0	0	0	0	0	117.6	V636	V636-G638 PolarHBondContact O-N 3.32Å
639	F	30.7	Very low	38.3	Very low	202 Å²	202	138.4 Å²	138.4	89%	0.886	75%	0.749	S	S	*	*			trans	-104	89.4	156.2	-133.6	-95.3	0	0	0	108.7	S641	F639-S641 PolarHBondContact O-N 3.11Å
640	D	31.4	Very low	36.8	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	76%	0.755	S	S	*	*			trans	-66.8	93.5	172.6	-95	-32.4	0	0	0	109.5
641	S	30.3	Very low	36	Very low	84 Å²	84	137.7 Å²	137.7	59%	0.587	76%	0.76	S	S	*	*			trans	-69.4	125.9	168.3	42.5	0	0	0	0	110	F639 L643	F639-S641 PolarHBondContact O-N 3.11Å; S641-L643 PolarHBondContact O-N 3.07Å
642	P	33.3	Very low	35.4	Very low	132 Å²	132	137.1 Å²	137.1	86%	0.857	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	14.8	-172.4	-4.6	14.2	0	0	0	116.1
643	L	33.5	Very low	35	Very low	163 Å²	163	143 Å²	143	85%	0.853	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	5.1	-176.3	-73.7	169.4	0	0	0	114.3	S641 K645	S641-L643 PolarHBondContact O-N 3.07Å; L643-K645 PolarHBondContact O-N 3.02Å
644	R	28.7	Very low	35.3	Very low	226 Å²	226	138.9 Å²	138.9	85%	0.853	75%	0.753	S	S	*	*			trans	-79.1	58	169.2	-151.1	175	-162	168.2	4.2	110.9	N646	R644-N646 PolarHBondContact O-N 2.95Å
645	K	30.3	Very low	35.3	Very low	187 Å²	187	138 Å²	138	81%	0.813	74%	0.743	S	S	*	*			trans	-65.5	105.7	157.3	-101	-177.8	177.7	175.9	0	105.9	L643 V647	L643-K645 PolarHBondContact O-N 3.02Å; K645-V647 PolarHBondContact O-N 3.04Å
646	N	32.7	Very low	35	Very low	135 Å²	135	137.7 Å²	137.7	72%	0.722	74%	0.741	S	S	*	*			trans	-46.5	105.2	167	-77.7	-46.9	0	0	0	108.2	R644 K648	R644-N646 PolarHBondContact O-N 2.95Å; N646-K648 PolarHBondContact O-N 3.02Å
647	V	33.4	Very low	34.9	Very low	141 Å²	141	141.5 Å²	141.5	86%	0.855	74%	0.744	S	S	*	*			trans	-66.9	80.3	163	-179	0	0	0	0	104.9	K645 G649	K645-V647 PolarHBondContact O-N 3.04Å; V647-G649 PolarHBondContact O-N 2.89Å; V647-G649 VanDerWaalsContact O-N 3.14Å
648	K	33.2	Very low	34.7	Very low	187 Å²	187	142.5 Å²	142.5	81%	0.813	74%	0.74	S	S	*	*			trans	-60.4	114.8	162.4	-82.3	-175.2	174.2	-177.8	0	104.2	N646 H650	N646-K648 PolarHBondContact O-N 3.02Å; K648-H650 VanDerWaalsContact C-N 3.34Å; K648-H650 PolarHBondContact O-N 3.04Å
649	G	33.4	Very low	34.5	Very low	64 Å²	64	143.9 Å²	143.9	66%	0.66	74%	0.736	S	S	*	*			trans	-48.3	99.1	178.5	0	0	0	0	0	110	V647 N651	V647-G649 PolarHBondContact O-N 2.89Å; V647-G649 VanDerWaalsContact O-N 3.14Å; G649-N651 VanDerWaalsContact C-N 3.35Å; G649-N651 PolarHBondContact O-N 3.46Å
650	H	35.7	Very low	34.7	Very low	166 Å²	166	143.2 Å²	143.2	77%	0.769	74%	0.735	S	S	*	*			trans	-70.9	107.6	154.6	-113.7	-3.5	0	0	0	103.3	K648 D652	K648-H650 VanDerWaalsContact C-N 3.34Å; K648-H650 PolarHBondContact O-N 3.04Å; H650-D652 PolarHBondContact O-N 2.75Å
651	N	35.7	Very low	34.7	Very low	150 Å²	150	140.7 Å²	140.7	80%	0.802	72%	0.721	S	S	*	*			trans	-60.5	91.4	164.1	-77.3	-12.3	0	0	0	105.7	G649 R653	G649-N651 VanDerWaalsContact C-N 3.35Å; G649-N651 PolarHBondContact O-N 3.46Å; N651-R653 VanDerWaalsContact C-N 3.34Å; N651-R653 PolarHBondContact O-N 3.04Å
652	D	40.4	Very low	34.8	Very low	119 Å²	119	142 Å²	142	64%	0.636	73%	0.727	S	S	*	*			trans	-60.5	98.7	179.4	-79.4	-22.3	0	0	0	107.4	H650 C654	H650-D652 PolarHBondContact O-N 2.75Å; D652-C654 HydrophobicContact CB-CB 4.25Å; D652-C654 PolarHBondContact O-N 2.87Å
653	R	41.2	Very low	34.9	Very low	212 Å²	212	139.7 Å²	139.7	80%	0.8	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	30.9	168	-67.7	-176.8	170.2	179.6	-1.2	111.1	N651 E655	N651-R653 VanDerWaalsContact C-N 3.34Å; N651-R653 PolarHBondContact O-N 3.04Å; R653-E655 PolarHBondContact O-N 3.06Å
654	C	49.2	Very low	35.1	Very low	43 Å²	43	135.4 Å²	135.4	29%	0.291	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	-25	-169.9	-74.4	0	0	0	0	111.9	C245 D652	C245-C654 HydrophobicContact CB-CB 4.02Å; C245-C654 WeakPolarHBondContact CB-SG 3.41Å; C245-C654 VanDerWaalsContact SG-CA 3.51Å; C245-C654 WeakPolarHBondContact SG-CB 3.22Å; C245-C654 CovalentContact SG-SG 2.04Å; C245-C654 PolarHBondContact SG-SG 3.33Å; D652-C654 HydrophobicContact CB-CB 4.25Å; D652-C654 PolarHBondContact O-N 2.87Å
655	E	41.5	Very low	35.3	Very low	134 Å²	134	132 Å²	132	63%	0.626	69%	0.686	S	S	*	*	S	Bend	trans	-132.8	112.3	159	-65.5	-175.9	163.7	0	0	107	R653 Y657	R653-E655 PolarHBondContact O-N 3.06Å; E655-Y657 PolarHBondContact O-N 3.29Å
656	A	33.9	Very low	35.9	Very low	78 Å²	78	127.4 Å²	127.4	65%	0.645	67%	0.674	S	S	*	*			trans	-67.1	92.1	165.7	0	0	0	0	0	107.1	M658	A656-M658 PolarHBondContact O-N 2.76Å
657	Y	33.4	Very low	36.2	Very low	193 Å²	193	126.2 Å²	126.2	76%	0.757	67%	0.671	S	S	*	*			trans	-57.7	106.6	161.9	-134.5	-91.9	0	0	0	105.8	E655 P659	E655-Y657 PolarHBondContact O-N 3.29Å; Y657-P659 VanDerWaalsContact O-CD 3.23Å; Y657-P659 WeakPolarHBondContact O-CD 3.39Å
658	M	33.9	Very low	36.7	Very low	144 Å²	144	123.7 Å²	123.7	71%	0.709	66%	0.656	S	S	*	*			trans	-75.5	113.7	165.2	-95.6	178.5	77.8	0	0	106.2	A656 H660	A656-M658 PolarHBondContact O-N 2.76Å; M658-H660 PolarHBondContact O-N 3.36Å
659	P	29.1	Very low	37.7	Very low	102 Å²	102	123 Å²	123	66%	0.662	66%	0.661	S	S	*	*			trans	-58.8	134.4	165.4	-10.7	25.9	0	0	0	106.8	Y657 L661	Y657-P659 VanDerWaalsContact O-CD 3.23Å; Y657-P659 WeakPolarHBondContact O-CD 3.39Å; P659-L661 PolarHBondContact O-N 2.94Å
660	H	34.6	Very low	38.2	Very low	188 Å²	188	123.8 Å²	123.8	87%	0.87	67%	0.669	S	S	*	*			trans	-51.2	107.8	169.9	-65.3	-71.9	0	0	0	108.5	M658 P662	M658-H660 PolarHBondContact O-N 3.36Å; H660-P662 WeakPolarHBondContact O-CD 3.5Å
661	L	32.1	Very low	38.2	Very low	106 Å²	106	118.8 Å²	118.8	56%	0.555	65%	0.653	S	S	*	*			trans	-62.7	121.2	174.6	-84.6	157.7	0	0	0	107.2	P659 V663	P659-L661 PolarHBondContact O-N 2.94Å; L661-V663 PolarHBondContact O-N 3.04Å
662	P	32.3	Very low	38.2	Very low	112 Å²	112	116 Å²	116	73%	0.727	64%	0.641	S	S	*	*			trans	-65.8	112.1	177.6	24.3	-30.2	0	0	0	108.8	H660 S664	H660-P662 WeakPolarHBondContact O-CD 3.5Å; P662-S664 PolarHBondContact O-N 3.42Å
663	V	34	Very low	38.1	Very low	84 Å²	84	115.5 Å²	115.5	51%	0.509	64%	0.638	S	S	.	*			trans	-76.5	104.3	172.2	-179.1	0	0	0	0	107.6	L661 K665 V674	L661-V663 PolarHBondContact O-N 3.04Å; V663-K665 HydrophobicContact CG1-CG 4.38Å; V663-K665 PolarHBondContact O-N 3.5Å; V663-V674 HydrophobicContact CG1-CG1 3.95Å
664	S	38.4	Very low	37.8	Very low	73 Å²	73	109.6 Å²	109.6	51%	0.51	63%	0.626	S	S	.	*			trans	-77.4	118.4	167.6	52.1	0	0	0	0	109.1	P662	P662-S664 PolarHBondContact O-N 3.42Å
665	K	34	Very low	37.3	Very low	155 Å²	155	111 Å²	111	67%	0.674	64%	0.636	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.6	111.2	169.9	-73.2	-179.7	178	177.5	0	108.2	V663	V663-K665 HydrophobicContact CG1-CG 4.38Å; V663-K665 PolarHBondContact O-N 3.5Å
666	T	41.5	Very low	36.9	Very low	90 Å²	90	109.8 Å²	109.8	55%	0.552	63%	0.633	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.8	123.8	167.2	8.5	0	0	0	0	108.9
667	V	39.8	Very low	37.1	Very low	109 Å²	109	110.4 Å²	110.4	66%	0.661	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96	112	177.5	179.9	0	0	0	0	107.8
668	T	44	Very low	37.2	Very low	88 Å²	88	110.5 Å²	110.5	54%	0.54	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.8	127.3	169.9	41.7	0	0	0	0	109.6	G670 S671	T668-G670 PolarHBondContact O-N 2.85Å; T668-S671 PolarHBondContact O-N 3.26Å
669	N	52.8	Low	37.2	Very low	173 Å²	173	110 Å²	110	93%	0.925	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.1	51.2	174.7	-70.1	-6	0	0	0	115.7	S671	N669-S671 VanDerWaalsContact C-N 3.25Å; N669-S671 PolarHBondContact O-N 2.84Å
670	G	45.4	Very low	37.4	Very low	81 Å²	81	113.7 Å²	113.7	84%	0.835	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.1	5.2	168.5	0	0	0	0	0	115.9	T668	T668-G670 PolarHBondContact O-N 2.85Å
671	S	35.4	Very low	37.5	Very low	61 Å²	61	110.6 Å²	110.6	43%	0.427	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.5	136.6	173.4	68.5	0	0	0	0	111.1	T668 N669	T668-S671 PolarHBondContact O-N 3.26Å; N669-S671 VanDerWaalsContact C-N 3.25Å; N669-S671 PolarHBondContact O-N 2.84Å
672	V	35.8	Very low	37.6	Very low	91 Å²	91	115.2 Å²	115.2	55%	0.552	66%	0.661	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.2	105.1	-179.3	179.7	0	0	0	0	108.3	V674	V672-V674 HydrophobicContact CG1-CG2 4.26Å
673	N	37	Very low	37.7	Very low	108 Å²	108	113.5 Å²	113.5	58%	0.578	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.9	121.2	170.8	-80.6	-17.1	0	0	0	109.8
674	V	36.9	Very low	37.5	Very low	89 Å²	89	118.4 Å²	118.4	54%	0.539	68%	0.681	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.8	111.2	174.9	-179.8	0	0	0	0	107.3	V663 V672	V663-V674 HydrophobicContact CG1-CG1 3.95Å; V672-V674 HydrophobicContact CG1-CG2 4.26Å
675	S	36.8	Very low	37.3	Very low	72 Å²	72	124 Å²	124	50%	0.503	70%	0.696	S	S	.	*			trans	-109.8	130.3	173.8	54.2	0	0	0	0	110.6
676	L	33.4	Very low	37.2	Very low	108 Å²	108	124.6 Å²	124.6	57%	0.565	71%	0.707	S	S	*	*			trans	-95.5	122.5	173.1	-75.2	161.8	0	0	0	108.3	F678	L676-F678 PolarHBondContact O-N 3.28Å
677	P	38.6	Very low	36.7	Very low	92 Å²	92	125.6 Å²	125.6	60%	0.597	71%	0.713	S	S	*	*			trans	-72.9	101.8	171.8	27.4	-29.1	0	0	0	109.1	T679	P677-T679 PolarHBondContact O-N 3.27Å
678	F	34.9	Very low	36.1	Very low	194 Å²	194	128.2 Å²	128.2	85%	0.851	72%	0.722	S	S	*	*			trans	-79.3	109.8	163.8	-95.8	-91.2	0	0	0	108.5	L676	L676-F678 PolarHBondContact O-N 3.28Å
679	T	35.2	Very low	35.5	Very low	135 Å²	135	129.9 Å²	129.9	83%	0.828	73%	0.733	S	S	*	*			trans	-83.2	111.6	165.9	-19.5	0	0	0	0	107.9	P677	P677-T679 PolarHBondContact O-N 3.27Å
680	E	32.2	Very low	34.4	Very low	178 Å²	178	129.4 Å²	129.4	83%	0.832	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-58.9	132.6	172.9	-80.5	-175.3	157.6	0	0	110.5	K682	E680-K682 PolarHBondContact O-N 3.3Å
681	P	37.1	Very low	33.9	Very low	124 Å²	124	132.6 Å²	132.6	81%	0.805	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-68.5	116.8	176.6	4.8	4.7	0	0	0	109.6	G683	P681-G683 PolarHBondContact O-N 2.86Å
682	K	35	Very low	33.9	Very low	202 Å²	202	138 Å²	138	88%	0.878	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-56.1	124.7	166.2	-75.9	-177.9	175.2	178.3	0	108.7	E680 E684	E680-K682 PolarHBondContact O-N 3.3Å; K682-E684 PolarHBondContact O-N 3.39Å; K682-E684 VanDerWaalsContact O-N 3.11Å
683	G	32.9	Very low	33.9	Very low	76 Å²	76	136.6 Å²	136.6	78%	0.784	76%	0.755	S	S	*	*			trans	-53.7	110.3	-171.7	0	0	0	0	0	114.2	P681 K685	P681-G683 PolarHBondContact O-N 2.86Å; G683-K685 PolarHBondContact O-N 3.44Å
684	E	31.4	Very low	33.7	Very low	187 Å²	187	138.2 Å²	138.2	87%	0.874	77%	0.769	S	S	*	*			trans	-75.1	112.3	160.4	-86.8	-178.3	153.4	0	0	108.3	K682 N686	K682-E684 PolarHBondContact O-N 3.39Å; K682-E684 VanDerWaalsContact O-N 3.11Å; E684-N686 PolarHBondContact O-N 2.99Å
685	K	32.9	Very low	33.4	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.826	79%	0.785	S	S	*	*			trans	-61.4	121.4	174.6	-71.1	178.6	175.7	178.8	0	109.3	G683 V687	G683-K685 PolarHBondContact O-N 3.44Å; K685-V687 HydrophobicContact CB-CG2 4.29Å; K685-V687 PolarHBondContact O-N 2.92Å
686	N	32.1	Very low	33.3	Very low	168 Å²	168	143.5 Å²	143.5	90%	0.898	79%	0.794	S	S	*	*			trans	-54.8	96.9	166.4	-67.7	-37	0	0	0	110.3	E684	E684-N686 PolarHBondContact O-N 2.99Å
687	V	30.9	Very low	33.5	Very low	112 Å²	112	150 Å²	150	68%	0.679	81%	0.811	S	S	*	*			trans	-124.8	72.9	170.8	-172.6	0	0	0	0	108.5	K685	K685-V687 HydrophobicContact CB-CG2 4.29Å; K685-V687 PolarHBondContact O-N 2.92Å
688	L	27.6	Very low	33.4	Very low	163 Å²	163	152.4 Å²	152.4	85%	0.853	82%	0.819	S	S	*	*			trans	-136.1	77.7	159.9	-82.3	171.5	0	0	0	108.1	L690	L688-L690 PolarHBondContact O-N 3.17Å
689	T	30.6	Very low	33.3	Very low	124 Å²	124	154.1 Å²	154.1	76%	0.761	82%	0.821	S	S	*	*			trans	-67.2	100.3	160.8	2.8	0	0	0	0	107.6	N691	T689-N691 PolarHBondContact O-N 3.05Å; T689-N691 VanDerWaalsContact O-N 3.09Å
690	L	30.4	Very low	33.2	Very low	163 Å²	163	156.8 Å²	156.8	85%	0.853	82%	0.821	S	S	*	*			trans	-69.7	100.8	167.1	-94.5	104.5	0	0	0	108.3	L688 N692	L688-L690 PolarHBondContact O-N 3.17Å; L690-N692 PolarHBondContact O-N 3.18Å
691	N	35.4	Very low	33.4	Very low	148 Å²	148	154.5 Å²	154.5	79%	0.791	82%	0.82	S	S	*	*			trans	-64.8	124.8	164	-82.1	-20.3	0	0	0	109	T689 G693	T689-N691 PolarHBondContact O-N 3.05Å; T689-N691 VanDerWaalsContact O-N 3.09Å; N691-G693 PolarHBondContact O-N 3.09Å; N691-G693 VanDerWaalsContact O-N 3.1Å
692	N	35.1	Very low	33.1	Very low	174 Å²	174	160 Å²	160	93%	0.93	82%	0.824	S	S	*	*	S	Bend	trans	-45.5	111.6	167.3	-80.5	-25.4	0	0	0	110.8	L690	L690-N692 PolarHBondContact O-N 3.18Å
693	G	34.7	Very low	33.1	Very low	61 Å²	61	158.6 Å²	158.6	63%	0.629	82%	0.818	S	S	*	*			trans	162.6	116.9	169	0	0	0	0	0	114.5	N691	N691-G693 PolarHBondContact O-N 3.09Å; N691-G693 VanDerWaalsContact O-N 3.1Å
694	T	33.4	Very low	33.2	Very low	143 Å²	143	161.1 Å²	161.1	88%	0.877	82%	0.818	S	S	*	*			trans	67.7	83.2	158.3	41.8	0	0	0	0	117.3
695	L	30.9	Very low	33.6	Very low	165 Å²	165	162 Å²	162	86%	0.864	82%	0.815	S	S	*	*			trans	-57.1	134.8	146.3	-90.7	151.3	0	0	0	109.2	R697	L695-R697 PolarHBondContact O-N 3.03Å
696	P	35.8	Very low	34	Very low	107 Å²	107	163 Å²	163	70%	0.695	84%	0.836	S	S	*	*			trans	-58.5	129.3	178.8	-22.3	32.1	0	0	0	111.7	D698	P696-D698 PolarHBondContact O-N 2.99Å
697	R	36.6	Very low	34.1	Very low	243 Å²	243	162.7 Å²	162.7	92%	0.917	83%	0.833	S	S	*	*	S	Bend	trans	-76.4	18.7	-170.1	-128.3	-178.5	-170.8	-175.5	2.7	115.4	L695	L695-R697 PolarHBondContact O-N 3.03Å
698	D	36.1	Very low	34.3	Very low	144 Å²	144	165.4 Å²	165.4	77%	0.77	84%	0.841	S	S	*	*			trans	-103.4	11.4	-166.4	-83.7	-22	0	0	0	116.8	P696 K700	P696-D698 PolarHBondContact O-N 2.99Å; D698-K700 VanDerWaalsContact C-N 3.25Å; D698-K700 PolarHBondContact O-N 2.98Å
699	Y	32.7	Very low	34.7	Very low	229 Å²	229	165.5 Å²	165.5	90%	0.898	84%	0.841	S	S	*	*			trans	-79.8	78.5	162.5	-74.8	-82	0	0	0	110.1	T701	Y699-T701 VanDerWaalsContact C-N 3.33Å; Y699-T701 PolarHBondContact O-N 3.05Å
700	K	33.6	Very low	34.9	Very low	192 Å²	192	167.9 Å²	167.9	84%	0.835	85%	0.845	S	S	*	*			trans	-66.3	94.5	162.6	-83.4	-177	178.2	175.5	0	108.5	D698 R702	D698-K700 VanDerWaalsContact C-N 3.25Å; D698-K700 PolarHBondContact O-N 2.98Å; K700-R702 PolarHBondContact O-N 3.37Å
701	T	35.5	Very low	35.2	Very low	130 Å²	130	168.3 Å²	168.3	80%	0.798	85%	0.845	S	S	*	*			trans	-56.7	106.9	165.4	-1.7	0	0	0	0	108.5	Y699 K703	Y699-T701 VanDerWaalsContact C-N 3.33Å; Y699-T701 PolarHBondContact O-N 3.05Å; T701-K703 PolarHBondContact O-N 3.1Å
702	R	32.6	Very low	35.2	Very low	238 Å²	238	169.6 Å²	169.6	90%	0.898	85%	0.848	S	S	*	*			trans	-65.1	104	164.1	-88.4	-175.2	173.4	-179.9	-1.9	106.8	K700 V704	K700-R702 PolarHBondContact O-N 3.37Å; R702-V704 PolarHBondContact O-N 3.38Å
703	K	34.6	Very low	35.2	Very low	174 Å²	174	169.3 Å²	169.3	76%	0.757	84%	0.842	S	S	*	*			trans	-61.8	113.8	168.6	-71.9	-178.5	176.8	-178.6	0	107.7	T701	T701-K703 PolarHBondContact O-N 3.1Å
704	V	33.9	Very low	35.2	Very low	128 Å²	128	177.6 Å²	177.6	78%	0.776	86%	0.859	S	S	*	*			trans	-81.3	118.4	165.8	-179.1	0	0	0	0	105.8	R702	R702-V704 PolarHBondContact O-N 3.38Å
705	Y	41.2	Very low	35.4	Very low	206 Å²	206	180.5 Å²	180.5	81%	0.808	86%	0.857	S	S	*	*			trans	-77.5	123.9	167.6	-68.7	-95.4	0	0	0	106.5
706	V	41.3	Very low	35.8	Very low	210 Å²	210	181.9 Å²	181.9	100%	1.273	86%	0.857	S	S	*	*			trans	-84.4	0	170.6	-176.7	0	0	0	0	108.3

Retrieved 706 of 706 residues in 1303.5 ms (Link to these results)

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