A0A077ZJL4_TRITR Loading...

MdoG domain containing protein

Probably involved in the control of the structural glucose backbone of osmoregulated periplasmic glucans (OPGs).

AlphaFold DB , UniProt , Accession A0A077ZJL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 551 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	43.4	Very low	45.1	Very low	122 Å²	122	80.5 Å²	80.5	60%	0.601	36%	0.358	S	S	*	.				0	159	0	-152.1	164	-114.4	0	0	108.9	F6 K208 F211	M1-F6 HydrophobicContact CE-CD2 4.35Å; M1-F6 HydrophobicContact CG-CB 4.28Å; M1-F6 HydrophobicContact SD-CB 3.8Å; M1-F6 HydrophobicContact SD-CD2 3.42Å; M1-F6 WeakPolarHBondContact SD-CD2 3.46Å; M1-F6 HydrophobicContact SD-CE2 4.35Å; M1-F6 HydrophobicContact SD-CG 3.91Å; M1-K208 WeakPolarHBondContact O-CE 3.2Å; M1-F211 HydrophobicContact CB-CD2 4.45Å
2	D	46.5	Very low	44.2	Very low	86 Å²	86	76.9 Å²	76.9	46%	0.46	35%	0.354	S	S	.	.			trans	-89.6	119.9	166.5	179.3	-10.6	0	0	0	106.8	R4 R5 F6	D2-R4 PolarHBondContact O-N 3.38Å; D2-R4 VanDerWaalsContact O-N 3.11Å; D2-R4 PolarHBondContact OD1-N 2.87Å; D2-R4 VanDerWaalsContact OD1-N 3.12Å; D2-R5 HydrophobicContact CB-CB 4.45Å; D2-R5 HydrophobicContact CB-CG 4.31Å; D2-R5 PolarHBondContact O-N 3.36Å; D2-F6 PolarHBondContact O-N 2.86Å
3	R	53.1	Low	44	Very low	31 Å²	31	74.5 Å²	74.5	12%	0.117	34%	0.344	C	S	.	.	H	α-helix	trans	-49	-38.9	-178	177.4	-177.7	-95.4	-126.3	-0.3	111.2	R5 F6 I7 E209 F211	R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 3.21Å; R3-F6 PolarHBondContact O-N 2.71Å; R3-I7 HydrophobicContact CG-CD1 3.52Å; R3-I7 HydrophobicContact CG-CG1 4.2Å; R3-I7 WeakPolarHBondContact O-CG1 3.37Å; R3-I7 PolarHBondContact O-N 2.76Å; R3-E209 IonicContact CZ-OE1 3.02Å; R3-E209 IonicContact CZ-OE2 2.65Å; R3-E209 IonicContact NE-OE1 3.58Å; R3-E209 IonicContact NE-OE2 3.71Å; R3-E209 PolarHBondContact NE-OE2 2.93Å; R3-E209 IonicContact NH2-OE1 2.69Å; R3-E209 PolarHBondContact NH2-OE1 2.88Å; R3-E209 IonicContact NH2-OE2 3.8Å; R3-E209 PolarHBondContact NH2-OE2 3.41Å; R3-E209 VanDerWaalsContact NH2-OE2 3.17Å; R3-F211 HydrophobicContact CB-CZ 4.04Å; R3-F211 HydrophobicContact CG-CZ 4.19Å
4	R	47.6	Very low	43.3	Very low	175 Å²	175	72.8 Å²	72.8	66%	0.66	35%	0.35	S	S	*	.	H	α-helix	trans	-63	-32.7	178.4	-69.3	-177.2	175.5	-169.2	-1.8	113.4	D2 K8	D2-R4 PolarHBondContact O-N 3.38Å; D2-R4 VanDerWaalsContact O-N 3.11Å; D2-R4 PolarHBondContact OD1-N 2.87Å; D2-R4 VanDerWaalsContact OD1-N 3.12Å; R4-K8 VanDerWaalsContact O-CG 3.28Å; R4-K8 WeakPolarHBondContact O-CG 3.43Å
5	R	44.2	Very low	42.5	Very low	203 Å²	203	72.9 Å²	72.9	77%	0.766	37%	0.368	S	S	*	.	H	α-helix	trans	-79.6	-31.5	178.4	-70.9	-172.9	177.8	-170.7	-1	112.5	D2 R3	D2-R5 HydrophobicContact CB-CB 4.45Å; D2-R5 HydrophobicContact CB-CG 4.31Å; D2-R5 PolarHBondContact O-N 3.36Å; R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 3.21Å
6	F	47.9	Very low	41.6	Very low	20 Å²	20	76.2 Å²	76.2	9%	0.088	39%	0.392	C	S	.	.	H	α-helix	trans	-76.4	-45.7	178.9	-178.2	-95.1	0	0	0	112.3	M1 D2 R3 K8 G9 S10 A180 Y182	M1-F6 HydrophobicContact CE-CD2 4.35Å; M1-F6 HydrophobicContact CG-CB 4.28Å; M1-F6 HydrophobicContact SD-CB 3.8Å; M1-F6 HydrophobicContact SD-CD2 3.42Å; M1-F6 WeakPolarHBondContact SD-CD2 3.46Å; M1-F6 HydrophobicContact SD-CE2 4.35Å; M1-F6 HydrophobicContact SD-CG 3.91Å; D2-F6 PolarHBondContact O-N 2.86Å; R3-F6 PolarHBondContact O-N 2.71Å; F6-K8 VanDerWaalsContact C-N 3.3Å; F6-K8 PolarHBondContact O-N 2.87Å; F6-G9 PolarHBondContact O-N 3.02Å; F6-G9 VanDerWaalsContact O-N 3.07Å; F6-S10 PolarHBondContact O-N 2.91Å; F6-S10 PolarHBondContact O-OG 2.57Å; F6-A180 HydrophobicContact CE2-CB 4Å; F6-A180 HydrophobicContact CZ-CB 3.74Å; F6-Y182 HydrophobicContact CD1-CE2 4.01Å; F6-Y182 AromaticContact CE1-CD2 3.52Å; F6-Y182 HydrophobicContact CE1-CD2 3.52Å; F6-Y182 AromaticContact CE1-CE2 3.19Å; F6-Y182 HydrophobicContact CE1-CE2 3.19Å; F6-Y182 HydrophobicContact CE1-CG 4.38Å; F6-Y182 AromaticContact CE1-CZ 3.81Å; F6-Y182 AromaticContact CZ-CD2 3.79Å; F6-Y182 HydrophobicContact CZ-CD2 3.79Å; F6-Y182 AromaticContact CZ-CE2 3.86Å; F6-Y182 HydrophobicContact CZ-CE2 3.86Å
7	I	49	Very low	41.1	Very low	8 Å²	8	77.4 Å²	77.4	4%	0.041	41%	0.407	C	S	.	.	H	α-helix	trans	-60.9	-38.8	179.4	-70.2	176.7	0	0	0	111.5	R3 G9 S10 M11 D388	R3-I7 HydrophobicContact CG-CD1 3.52Å; R3-I7 HydrophobicContact CG-CG1 4.2Å; R3-I7 WeakPolarHBondContact O-CG1 3.37Å; R3-I7 PolarHBondContact O-N 2.76Å; I7-G9 PolarHBondContact O-N 2.86Å; I7-S10 PolarHBondContact O-N 3.09Å; I7-S10 VanDerWaalsContact O-N 3.08Å; I7-M11 HydrophobicContact CG2-CE 3.22Å; I7-M11 PolarHBondContact O-N 2.86Å; I7-D388 HydrophobicContact CD1-CB 4.26Å
8	K	43.6	Very low	40.3	Very low	149 Å²	149	76.2 Å²	76.2	65%	0.648	42%	0.417	S	S	*	.	H	α-helix	trans	-57.4	-30.5	175.1	-79.5	-177.4	-179.8	-166.9	0	113.9	R4 F6	R4-K8 VanDerWaalsContact O-CG 3.28Å; R4-K8 WeakPolarHBondContact O-CG 3.43Å; F6-K8 VanDerWaalsContact C-N 3.3Å; F6-K8 PolarHBondContact O-N 2.87Å
9	G	39.2	Very low	39.8	Very low	9 Å²	9	79.2 Å²	79.2	9%	0.093	44%	0.438	C	S	.	.	H	α-helix	trans	-79.7	-29.3	177	0	0	0	0	0	113.6	F6 I7 F112	F6-G9 PolarHBondContact O-N 3.02Å; F6-G9 VanDerWaalsContact O-N 3.07Å; I7-G9 PolarHBondContact O-N 2.86Å; G9-F112 WeakPolarHBondContact O-CZ 3.24Å
10	S	42.2	Very low	39.2	Very low	30 Å²	30	80.3 Å²	80.3	21%	0.21	45%	0.451	C	S	.	.	H	α-helix	trans	-85.2	-27.3	-173.7	-54.3	0	0	0	0	113.3	F6 I7	F6-S10 PolarHBondContact O-N 2.91Å; F6-S10 PolarHBondContact O-OG 2.57Å; I7-S10 PolarHBondContact O-N 3.09Å; I7-S10 VanDerWaalsContact O-N 3.08Å
11	M	39.6	Very low	38.7	Very low	52 Å²	52	80.1 Å²	80.1	26%	0.256	47%	0.467	S	S	.	.	H	α-helix	trans	-87.9	-18.5	-178.8	-82.1	-170	-65.3	0	0	115.8	I7 M13 A14 T386	I7-M11 HydrophobicContact CG2-CE 3.22Å; I7-M11 PolarHBondContact O-N 2.86Å; M11-M13 PolarHBondContact O-N 3.35Å; M11-A14 PolarHBondContact O-N 2.9Å; M11-T386 VanDerWaalsContact CE-CA 3.45Å; M11-T386 WeakPolarHBondContact CE-O 3.46Å
12	A	34.4	Very low	37.9	Very low	38 Å²	38	82.6 Å²	82.6	31%	0.314	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	0.9	-178.3	0	0	0	0	0	114.3	P78 N82	A12-P78 HydrophobicContact CB-CB 3.74Å; A12-P78 HydrophobicContact CB-CG 4.06Å; A12-N82 PolarHBondContact O-ND2 3.21Å; A12-N82 VanDerWaalsContact O-ND2 3.17Å
13	M	40.9	Very low	37.2	Very low	45 Å²	45	83.4 Å²	83.4	22%	0.222	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-9	176.9	-106	-85.1	-153.3	0	0	114.1	M11 Y81 N82 F106	M11-M13 PolarHBondContact O-N 3.35Å; M13-Y81 HydrophobicContact CE-CD1 4.23Å; M13-Y81 HydrophobicContact CE-CE1 3.81Å; M13-Y81 HydrophobicContact CG-CE1 4.48Å; M13-N82 VanDerWaalsContact CG-OD1 3.25Å; M13-N82 WeakPolarHBondContact CG-OD1 3.31Å; M13-N82 PolarHBondContact SD-OD1 3.35Å; M13-F106 HydrophobicContact CE-CD1 3.9Å; M13-F106 HydrophobicContact CE-CE1 3.63Å
14	A	35.3	Very low	36.1	Very low	51 Å²	51	87.6 Å²	87.6	42%	0.421	53%	0.534	S	S	.	.	S	Bend	trans	-83.5	-8.5	-169.7	0	0	0	0	0	115.8	M11	M11-A14 PolarHBondContact O-N 2.9Å
15	A	31.3	Very low	35.3	Very low	75 Å²	75	87 Å²	87	62%	0.62	54%	0.543	S	S	*	.	S	Bend	trans	-105.9	0.7	-163.2	0	0	0	0	0	117.5
16	V	28.3	Very low	34.9	Very low	125 Å²	125	87.6 Å²	87.6	76%	0.758	55%	0.552	S	S	*	*			trans	-143.9	90.1	-177.2	-170	0	0	0	0	111.9
17	C	32	Very low	34.1	Very low	96 Å²	96	91.3 Å²	91.3	65%	0.649	58%	0.58	S	S	*	*			trans	-145.3	97.5	165.4	-88	0	0	0	0	110.7
18	G	27.9	Very low	33.3	Very low	56 Å²	56	99.7 Å²	99.7	58%	0.577	62%	0.619	S	S	*	*			trans	-179.9	84.5	169.4	0	0	0	0	0	114.9
19	T	29.8	Very low	32.7	Very low	134 Å²	134	96.4 Å²	96.4	82%	0.822	62%	0.62	S	S	*	*			trans	-159.6	157.4	145.7	41	0	0	0	0	110.8
20	S	28.7	Very low	32.4	Very low	100 Å²	100	99.6 Å²	99.6	70%	0.699	65%	0.646	S	S	*	*			trans	-110	147	-153.4	-41.3	0	0	0	0	112.2
21	G	27.2	Very low	32.4	Very low	77 Å²	77	108 Å²	108	79%	0.794	68%	0.679	S	S	*	*			trans	-145.3	130.9	168.1	0	0	0	0	0	110.9
22	I	28.1	Very low	32.5	Very low	174 Å²	174	108 Å²	108	89%	0.892	69%	0.687	S	S	*	*			trans	-99.5	130.1	-174.2	-62.5	157.9	0	0	0	108.7
23	A	31.8	Very low	33.2	Very low	103 Å²	103	108.9 Å²	108.9	85%	0.851	69%	0.694	S	S	*	*			trans	-154	142.6	156.2	0	0	0	0	0	111.6
24	S	28.5	Very low	34	Very low	119 Å²	119	109.9 Å²	109.9	83%	0.832	70%	0.7	S	S	*	*			trans	-98.5	161.6	-159	36.1	0	0	0	0	114.9
25	L	31.1	Very low	35.5	Very low	164 Å²	164	107.6 Å²	107.6	86%	0.859	68%	0.681	S	S	*	*			trans	-82.4	145	-166.2	-63.1	151.8	0	0	0	114.4
26	F	36.2	Very low	37.9	Very low	214 Å²	214	110.7 Å²	110.7	94%	0.939	69%	0.687	S	S	*	*			trans	-136.4	137.7	146.1	-85.6	-77.7	0	0	0	110.6
27	S	30.2	Very low	40.9	Very low	98 Å²	98	105 Å²	105	69%	0.685	65%	0.653	S	S	*	*			trans	-87	147.4	-178	55.5	0	0	0	0	113.2
28	Q	33	Very low	43.9	Very low	184 Å²	184	100.7 Å²	100.7	86%	0.86	62%	0.624	S	S	*	*			trans	-167.4	141.7	134.9	-108.5	-179.2	25.9	0	0	110.4
29	A	30.6	Very low	47	Very low	81 Å²	81	101.6 Å²	101.6	67%	0.669	62%	0.615	S	S	*	*			trans	-79.3	128.1	-170.7	0	0	0	0	0	113.7	E97	A29-E97 WeakPolarHBondContact CA-OE2 3.19Å; A29-E97 WeakPolarHBondContact CB-OE2 3.38Å
30	A	33.9	Very low	50	Low	76 Å²	76	95.5 Å²	95.5	63%	0.628	58%	0.579	S	S	*	*			trans	-151	141.4	161.3	0	0	0	0	0	109.1	A32	A30-A32 PolarHBondContact O-N 3.31Å
31	F	41.9	Very low	53.2	Low	207 Å²	207	99.5 Å²	99.5	91%	0.908	59%	0.587	S	S	*	*			trans	-38	133.9	172.6	-69.7	-91.7	0	0	0	111.1	A33	F31-A33 VanDerWaalsContact C-N 3.31Å; F31-A33 PolarHBondContact O-N 3.23Å
32	A	42.5	Very low	56.5	Low	52 Å²	52	99.6 Å²	99.6	43%	0.43	57%	0.572	S	S	.	*			trans	-49.4	98.2	-179.9	0	0	0	0	0	109.2	A30 V96 T221	A30-A32 PolarHBondContact O-N 3.31Å; A32-V96 HydrophobicContact CB-CG2 4.5Å; A32-T221 HydrophobicContact CB-CG2 4.42Å
33	A	48	Very low	59.7	Low	55 Å²	55	94.5 Å²	94.5	46%	0.455	55%	0.545	S	S	.	.			trans	-64.6	152.3	175.8	0	0	0	0	0	107.2	F31 S35 N95	F31-A33 VanDerWaalsContact C-N 3.31Å; F31-A33 PolarHBondContact O-N 3.23Å; A33-S35 PolarHBondContact O-N 3.49Å; A33-N95 PolarHBondContact O-ND2 2.88Å
34	D	57.5	Low	62.9	Low	67 Å²	67	98.4 Å²	98.4	36%	0.358	54%	0.537	S	S	.	.			trans	-38.2	138	163.2	-93.5	-6.6	0	0	0	109.4	D36 N95 R129	D34-D36 PolarHBondContact O-N 3.41Å; D34-N95 PolarHBondContact O-ND2 2.99Å; D34-R129 WeakPolarHBondContact OD2-CD 3.42Å; D34-R129 IonicContact OD2-CZ 3.01Å; D34-R129 IonicContact OD2-NH1 2.69Å; D34-R129 PolarHBondContact OD2-NH1 3.22Å
35	S	67	Low	66.2	Low	3 Å²	3	92.9 Å²	92.9	2%	0.021	50%	0.498	C	S	.	.			trans	-51.1	118.4	173.5	-175.4	0	0	0	0	109.3	A33 I37 A38 L92	A33-S35 PolarHBondContact O-N 3.49Å; S35-I37 PolarHBondContact O-N 2.89Å; S35-I37 WeakPolarHBondContact OG-CG1 3.19Å; S35-A38 WeakPolarHBondContact O-CB 3.5Å; S35-A38 PolarHBondContact O-N 3.27Å; S35-L92 WeakPolarHBondContact CB-O 3.44Å; S35-L92 PolarHBondContact OG-O 3.42Å
36	D	81.5	Confident	69.3	Low	140 Å²	140	87.3 Å²	87.3	75%	0.749	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.1	-174.9	-73.5	-18.1	0	0	0	113.2	D34	D34-D36 PolarHBondContact O-N 3.41Å
37	I	92.3	Very high	72.3	Confident	6 Å²	6	78.2 Å²	78.2	3%	0.031	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-15.8	178.5	61.3	164.1	0	0	0	114.3	S35 D39 Y86 K90 L92 F105 I131 R134 L137	S35-I37 PolarHBondContact O-N 2.89Å; S35-I37 WeakPolarHBondContact OG-CG1 3.19Å; I37-D39 PolarHBondContact O-N 2.91Å; I37-Y86 WeakPolarHBondContact CD1-OH 3.49Å; I37-K90 WeakPolarHBondContact CD1-O 3.2Å; I37-K90 HydrophobicContact CG2-CB 4.06Å; I37-K90 HydrophobicContact CG2-CD 4.28Å; I37-K90 WeakPolarHBondContact CG2-O 3.42Å; I37-L92 HydrophobicContact CD1-CD1 4.46Å; I37-F105 HydrophobicContact CD1-CE2 4.01Å; I37-I131 HydrophobicContact CB-CG2 4.37Å; I37-I131 HydrophobicContact CD1-CD1 4.11Å; I37-I131 HydrophobicContact CD1-CG1 4.41Å; I37-I131 HydrophobicContact CD1-CG2 3.82Å; I37-I131 HydrophobicContact CG1-CD1 4.45Å; I37-I131 HydrophobicContact CG1-CG1 4.38Å; I37-I131 HydrophobicContact CG1-CG2 4.12Å; I37-R134 PolarHBondContact O-NH1 3.25Å; I37-R134 PolarHBondContact O-NH2 3.37Å; I37-L137 HydrophobicContact CB-CD2 4.28Å; I37-L137 HydrophobicContact CG2-CD2 3.81Å
38	A	94.2	Very high	75.5	Confident	5 Å²	5	76.6 Å²	76.6	4%	0.041	42%	0.418	C	S	.	.			trans	-80.3	107.9	179.1	0	0	0	0	0	110	S35 R129 I131	S35-A38 WeakPolarHBondContact O-CB 3.5Å; S35-A38 PolarHBondContact O-N 3.27Å; A38-R129 HydrophobicContact CB-CB 3.97Å; A38-R129 PolarHBondContact O-NH2 2.77Å; A38-I131 HydrophobicContact CB-CG1 3.78Å
39	D	93	Very high	78.7	Confident	74 Å²	74	70 Å²	70	40%	0.396	39%	0.388	S	S	.	.			trans	-116.4	-7.6	-169.3	62.8	-25.1	0	0	0	113.2	I37 E130 H132 R134	I37-D39 PolarHBondContact O-N 2.91Å; D39-E130 PolarHBondContact N-O 3.41Å; D39-E130 VanDerWaalsContact N-O 3.13Å; D39-H132 WeakPolarHBondContact OD1-CB 3.45Å; D39-H132 IonicContact OD1-CE1 3.8Å; D39-H132 IonicContact OD1-CG 3.79Å; D39-H132 PolarHBondContact OD1-N 3.11Å; D39-H132 IonicContact OD1-ND1 3.94Å; D39-H132 PolarHBondContact OD1-ND1 2.98Å; D39-H132 IonicContact OD2-CG 2.91Å; D39-H132 IonicContact OD2-ND1 3.21Å; D39-R134 IonicContact OD1-NH1 2.78Å; D39-R134 PolarHBondContact OD1-NH1 3.15Å; D39-R134 VanDerWaalsContact OD1-NH1 3.09Å; D39-R134 IonicContact OD2-CZ 3.39Å; D39-R134 IonicContact OD2-NH1 3.98Å; D39-R134 PolarHBondContact OD2-NH1 3.35Å
40	G	93.6	Very high	81.9	Confident	6 Å²	6	66.1 Å²	66.1	6%	0.062	36%	0.356	C	S	.	.	S	Bend	trans	-68.8	166.2	177	0	0	0	0	0	114.2	R129 E130	G40-R129 PolarHBondContact O-NE 3.4Å; G40-R129 VanDerWaalsContact O-NE 3.09Å; G40-E130 PolarHBondContact N-O 3.42Å
41	Q	94.7	Very high	85	Confident	184 Å²	184	64.4 Å²	64.4	86%	0.86	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-63.1	141.1	173.8	-68.8	-175.6	-14.2	0	0	110.7	Q43	Q41-Q43 PolarHBondContact O-N 3.12Å
42	T	95.8	Very high	87.7	Confident	79 Å²	79	57.7 Å²	57.7	49%	0.485	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-69.9	129.2	177.1	-55.9	0	0	0	0	110.8	L127 A128	T42-L127 HydrophobicContact CG2-CB 3.67Å; T42-L127 HydrophobicContact CG2-CD1 3.78Å; T42-L127 HydrophobicContact CG2-CD2 3.8Å; T42-L127 HydrophobicContact CG2-CG 3.93Å; T42-A128 WeakPolarHBondContact CA-O 3.34Å
43	Q	96.9	Very high	90.4	Very high	68 Å²	68	58.5 Å²	58.5	32%	0.318	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.2	174.1	62.3	-177	1.7	0	0	109.8	Q41 L127 A128	Q41-Q43 PolarHBondContact O-N 3.12Å; Q43-L127 WeakPolarHBondContact O-CA 3.36Å; Q43-A128 HydrophobicContact CG-CB 4.11Å; Q43-A128 PolarHBondContact N-O 3.39Å; Q43-A128 PolarHBondContact O-N 3.11Å
44	R	97.5	Very high	92.8	Very high	184 Å²	184	55.9 Å²	55.9	69%	0.694	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	140	173	-154.7	177.8	-170.1	-150.7	1	109.5	I49 H126	R44-I49 HydrophobicContact CB-CD1 4.49Å; R44-H126 WeakPolarHBondContact CA-O 3.46Å
45	F	98.3	Very high	94.7	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.013	29%	0.285	C	S	.	.			trans	-145.8	136.9	179.9	179.5	-96.3	0	0	0	112.1	L50 V121 H126 A128 W218 Y232	F45-L50 HydrophobicContact CE2-CB 4.04Å; F45-L50 HydrophobicContact CZ-CB 4.25Å; F45-L50 HydrophobicContact CZ-CD2 4.42Å; F45-V121 HydrophobicContact CD1-CG1 4.21Å; F45-V121 HydrophobicContact CD1-CG2 3.74Å; F45-V121 HydrophobicContact CE1-CG2 4.22Å; F45-V121 HydrophobicContact CG-CG2 4.47Å; F45-H126 PolarHBondContact N-O 3.03Å; F45-H126 WeakPolarHBondContact O-CB 3.46Å; F45-A128 HydrophobicContact CB-CB 3.6Å; F45-A128 HydrophobicContact CG-CB 4.24Å; F45-W218 HydrophobicContact CD1-CB 4.13Å; F45-W218 AromaticContact CD1-CD1 3.86Å; F45-W218 HydrophobicContact CD1-CG 4.12Å; F45-W218 AromaticContact CD2-CD1 3.39Å; F45-W218 HydrophobicContact CD2-CD2 4.14Å; F45-W218 AromaticContact CD2-CE2 3.88Å; F45-W218 AromaticContact CD2-CG 3.88Å; F45-W218 HydrophobicContact CD2-CG 3.88Å; F45-W218 AromaticContact CD2-NE1 3.39Å; F45-W218 HydrophobicContact CE1-CB 3.54Å; F45-W218 AromaticContact CE1-CD1 3.95Å; F45-W218 AromaticContact CE1-CG 3.74Å; F45-W218 HydrophobicContact CE1-CG 3.74Å; F45-W218 HydrophobicContact CE2-CB 4.15Å; F45-W218 AromaticContact CE2-CD1 3.48Å; F45-W218 VanDerWaalsContact CE2-CD1 3.48Å; F45-W218 AromaticContact CE2-CD2 3.48Å; F45-W218 HydrophobicContact CE2-CD2 3.48Å; F45-W218 VanDerWaalsContact CE2-CD2 3.48Å; F45-W218 AromaticContact CE2-CE2 3.56Å; F45-W218 HydrophobicContact CE2-CE3 4.12Å; F45-W218 AromaticContact CE2-CG 3.47Å; F45-W218 HydrophobicContact CE2-CG 3.47Å; F45-W218 VanDerWaalsContact CE2-CG 3.47Å; F45-W218 HydrophobicContact CE2-CZ2 4.26Å; F45-W218 AromaticContact CE2-NE1 3.54Å; F45-W218 AromaticContact CG-CD1 3.58Å; F45-W218 HydrophobicContact CG-CG 4.18Å; F45-W218 AromaticContact CG-NE1 4Å; F45-W218 HydrophobicContact CZ-CB 3.55Å; F45-W218 AromaticContact CZ-CD1 3.77Å; F45-W218 AromaticContact CZ-CD2 3.7Å; F45-W218 HydrophobicContact CZ-CD2 3.7Å; F45-W218 HydrophobicContact CZ-CE3 4.18Å; F45-W218 AromaticContact CZ-CG 3.39Å; F45-W218 HydrophobicContact CZ-CG 3.39Å; F45-Y232 HydrophobicContact CE1-CD1 4.49Å; F45-Y232 AromaticContact CE1-CD2 3.5Å; F45-Y232 HydrophobicContact CE1-CD2 3.5Å; F45-Y232 AromaticContact CE1-CE2 3.89Å; F45-Y232 HydrophobicContact CE1-CE2 3.89Å; F45-Y232 AromaticContact CE1-CG 3.86Å; F45-Y232 HydrophobicContact CE1-CG 3.86Å; F45-Y232 AromaticContact CZ-CD2 3.97Å; F45-Y232 HydrophobicContact CZ-CD2 3.97Å; F45-Y232 AromaticContact CZ-CG 3.88Å; F45-Y232 HydrophobicContact CZ-CG 3.88Å
46	D	97.6	Very high	96.2	Very high	47 Å²	47	60 Å²	60	25%	0.251	31%	0.308	S	S	.	.			trans	-154.4	177.5	164.9	61.2	47.3	0	0	0	108.8	S48 I49 L50	D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 PolarHBondContact O-N 2.71Å; D46-S48 WeakPolarHBondContact OD1-CA 3.45Å; D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 2.89Å; D46-S48 PolarHBondContact OD1-OG 3.36Å; D46-I49 PolarHBondContact O-N 3.13Å; D46-I49 PolarHBondContact OD1-N 3.44Å; D46-L50 PolarHBondContact O-N 3.35Å
47	F	98.4	Very high	97	Very high	24 Å²	24	54.8 Å²	54.8	11%	0.105	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-29.1	-177.8	-169.8	-136	0	0	0	113.5	L50 Q51 Y232 A243 K245 E260 H262	F47-L50 HydrophobicContact CD2-CB 4.34Å; F47-L50 HydrophobicContact CD2-CD2 4.2Å; F47-L50 HydrophobicContact CE2-CD2 4.32Å; F47-L50 PolarHBondContact O-N 2.94Å; F47-Q51 HydrophobicContact CE1-CG 4.39Å; F47-Q51 HydrophobicContact CE2-CG 4.49Å; F47-Q51 HydrophobicContact CZ-CG 4.37Å; F47-Q51 VanDerWaalsContact O-CG 3.31Å; F47-Q51 WeakPolarHBondContact O-CG 3.48Å; F47-Q51 PolarHBondContact O-N 2.87Å; F47-Y232 HydrophobicContact CB-CD1 4.15Å; F47-Y232 HydrophobicContact CB-CE1 3.9Å; F47-Y232 AromaticContact CD2-CD1 3.75Å; F47-Y232 HydrophobicContact CD2-CD1 3.75Å; F47-Y232 HydrophobicContact CD2-CE1 4.29Å; F47-Y232 HydrophobicContact CG-CD1 4.21Å; F47-Y232 HydrophobicContact CG-CE1 4.29Å; F47-A243 HydrophobicContact CE2-CB 3.93Å; F47-A243 HydrophobicContact CZ-CB 4.46Å; F47-K245 HydrophobicContact CD1-CB 4.4Å; F47-K245 HydrophobicContact CD1-CD 4.43Å; F47-K245 HydrophobicContact CD2-CB 4.03Å; F47-K245 HydrophobicContact CE1-CB 4.17Å; F47-K245 HydrophobicContact CE2-CB 3.79Å; F47-K245 HydrophobicContact CG-CB 4.33Å; F47-K245 HydrophobicContact CZ-CB 3.86Å; F47-E260 HydrophobicContact CE1-CG 3.8Å; F47-E260 HydrophobicContact CZ-CG 4.2Å; F47-H262 AromaticContact CE1-CD2 3.9Å; F47-H262 AromaticContact CZ-CD2 3.94Å
48	S	98.4	Very high	97.3	Very high	63 Å²	63	55.2 Å²	55.2	44%	0.441	28%	0.284	S	S	.	.	H	α-helix	trans	-70	-34.9	178.1	75.7	0	0	0	0	111.9	D46 L50 Q51 S52	D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 PolarHBondContact O-N 2.71Å; D46-S48 WeakPolarHBondContact OD1-CA 3.45Å; D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 2.89Å; D46-S48 PolarHBondContact OD1-OG 3.36Å; S48-L50 VanDerWaalsContact C-N 3.34Å; S48-Q51 PolarHBondContact O-N 3.03Å; S48-S52 PolarHBondContact O-N 2.84Å; S48-S52 PolarHBondContact O-OG 3.13Å
49	I	98.5	Very high	97.5	Very high	45 Å²	45	61.8 Å²	61.8	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-44.4	170.6	-69.3	172	0	0	0	109.8	R44 D46 S52 M53	R44-I49 HydrophobicContact CB-CD1 4.49Å; D46-I49 PolarHBondContact O-N 3.13Å; D46-I49 PolarHBondContact OD1-N 3.44Å; I49-S52 PolarHBondContact O-N 3Å; I49-M53 HydrophobicContact CG2-CE 3.52Å; I49-M53 HydrophobicContact CG2-CG 4.5Å; I49-M53 HydrophobicContact CG2-SD 4.22Å; I49-M53 VanDerWaalsContact O-CG 3.31Å; I49-M53 WeakPolarHBondContact O-CG 3.38Å; I49-M53 PolarHBondContact O-N 3.39Å
50	L	98.7	Very high	97.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-39.7	177.8	-173.6	62.1	0	0	0	112.7	F45 D46 F47 S48 S52 M53 A54 W218 L234 A243	F45-L50 HydrophobicContact CE2-CB 4.04Å; F45-L50 HydrophobicContact CZ-CB 4.25Å; F45-L50 HydrophobicContact CZ-CD2 4.42Å; D46-L50 PolarHBondContact O-N 3.35Å; F47-L50 HydrophobicContact CD2-CB 4.34Å; F47-L50 HydrophobicContact CD2-CD2 4.2Å; F47-L50 HydrophobicContact CE2-CD2 4.32Å; F47-L50 PolarHBondContact O-N 2.94Å; S48-L50 VanDerWaalsContact C-N 3.34Å; L50-S52 VanDerWaalsContact C-N 3.33Å; L50-M53 HydrophobicContact CD1-SD 4.44Å; L50-M53 PolarHBondContact O-N 2.89Å; L50-A54 WeakPolarHBondContact O-CB 3.31Å; L50-A54 PolarHBondContact O-N 2.88Å; L50-W218 HydrophobicContact CD1-CE3 4.11Å; L50-W218 HydrophobicContact CD1-CH2 3.7Å; L50-W218 HydrophobicContact CD1-CZ3 3.46Å; L50-W218 VanDerWaalsContact CD1-CZ3 3.46Å; L50-W218 HydrophobicContact CD2-CE3 4.49Å; L50-W218 HydrophobicContact CD2-CZ3 4.49Å; L50-L234 HydrophobicContact CD1-CB 3.98Å; L50-L234 HydrophobicContact CD1-CD1 4.11Å; L50-A243 HydrophobicContact CB-CB 4.39Å; L50-A243 HydrophobicContact CD2-CB 4.2Å; L50-A243 HydrophobicContact CG-CB 3.79Å
51	Q	98.8	Very high	97.7	Very high	40 Å²	40	65.2 Å²	65.2	19%	0.187	35%	0.345	C	S	.	.	H	α-helix	trans	-58.1	-46.2	172.9	-73.2	168.7	-5.1	0	0	111.1	F47 S48 A54 H55 A243 H262 Y264	F47-Q51 HydrophobicContact CE1-CG 4.39Å; F47-Q51 HydrophobicContact CE2-CG 4.49Å; F47-Q51 HydrophobicContact CZ-CG 4.37Å; F47-Q51 VanDerWaalsContact O-CG 3.31Å; F47-Q51 WeakPolarHBondContact O-CG 3.48Å; F47-Q51 PolarHBondContact O-N 2.87Å; S48-Q51 PolarHBondContact O-N 3.03Å; Q51-A54 PolarHBondContact O-N 3Å; Q51-H55 WeakPolarHBondContact O-CB 3.42Å; Q51-H55 PolarHBondContact O-N 2.8Å; Q51-A243 HydrophobicContact CB-CB 4.46Å; Q51-A243 HydrophobicContact CG-CB 4.04Å; Q51-H262 HydrophobicContact CG-CB 4.21Å; Q51-H262 PolarHBondContact NE2-CD2 2.78Å; Q51-H262 PolarHBondContact NE2-CE1 2.89Å; Q51-H262 PolarHBondContact NE2-NE2 3Å; Q51-Y264 PolarHBondContact O-OH 3.25Å
52	S	98.6	Very high	97.8	Very high	67 Å²	67	60.8 Å²	60.8	47%	0.469	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-44.9	177.3	-54	0	0	0	0	111.3	S48 I49 L50 A54 H55 D56	S48-S52 PolarHBondContact O-N 2.84Å; S48-S52 PolarHBondContact O-OG 3.13Å; I49-S52 PolarHBondContact O-N 3Å; L50-S52 VanDerWaalsContact C-N 3.33Å; S52-A54 VanDerWaalsContact C-N 3.32Å; S52-A54 PolarHBondContact O-N 2.91Å; S52-H55 PolarHBondContact O-N 2.99Å; S52-D56 WeakPolarHBondContact O-CB 3.49Å; S52-D56 VanDerWaalsContact O-CG 3.3Å; S52-D56 PolarHBondContact O-N 2.86Å
53	M	98.5	Very high	97.5	Very high	68 Å²	68	67.4 Å²	67.4	34%	0.335	34%	0.337	S	S	.	.	H	α-helix	trans	-57.2	-44	174.8	-72.1	174.1	178	0	0	112.2	I49 L50 L57 W218	I49-M53 HydrophobicContact CG2-CE 3.52Å; I49-M53 HydrophobicContact CG2-CG 4.5Å; I49-M53 HydrophobicContact CG2-SD 4.22Å; I49-M53 VanDerWaalsContact O-CG 3.31Å; I49-M53 WeakPolarHBondContact O-CG 3.38Å; I49-M53 PolarHBondContact O-N 3.39Å; L50-M53 HydrophobicContact CD1-SD 4.44Å; L50-M53 PolarHBondContact O-N 2.89Å; M53-L57 WeakPolarHBondContact O-CB 3.46Å; M53-L57 PolarHBondContact O-N 2.99Å; M53-W218 HydrophobicContact SD-CZ2 4.34Å
54	A	98.7	Very high	97.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.6	-42.2	178.5	0	0	0	0	0	111.9	L50 Q51 S52 L57 A58 L234 T241 A243 Y264	L50-A54 WeakPolarHBondContact O-CB 3.31Å; L50-A54 PolarHBondContact O-N 2.88Å; Q51-A54 PolarHBondContact O-N 3Å; S52-A54 VanDerWaalsContact C-N 3.32Å; S52-A54 PolarHBondContact O-N 2.91Å; A54-L57 PolarHBondContact O-N 2.69Å; A54-A58 PolarHBondContact O-N 2.89Å; A54-A58 VanDerWaalsContact O-N 3.11Å; A54-L234 HydrophobicContact CB-CD1 3.83Å; A54-T241 WeakPolarHBondContact O-CB 3.42Å; A54-T241 PolarHBondContact O-OG1 2.76Å; A54-A243 HydrophobicContact CB-CB 4.02Å; A54-Y264 HydrophobicContact CB-CD2 3.79Å; A54-Y264 HydrophobicContact CB-CE2 3.68Å
55	H	98.7	Very high	96.6	Very high	63 Å²	63	60.3 Å²	60.3	29%	0.292	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-52	175.9	-179.1	92.1	0	0	0	111.4	Q51 S52 L57 A58 Q59 Y264 E405	Q51-H55 WeakPolarHBondContact O-CB 3.42Å; Q51-H55 PolarHBondContact O-N 2.8Å; S52-H55 PolarHBondContact O-N 2.99Å; H55-L57 VanDerWaalsContact C-N 3.28Å; H55-L57 PolarHBondContact O-N 2.79Å; H55-A58 WeakPolarHBondContact O-CB 3.34Å; H55-A58 PolarHBondContact O-N 3.09Å; H55-A58 VanDerWaalsContact O-N 3.13Å; H55-Q59 PolarHBondContact NE2-NE2 2.94Å; H55-Q59 VanDerWaalsContact NE2-NE2 3.15Å; H55-Y264 HydrophobicContact CB-CD1 3.94Å; H55-Y264 HydrophobicContact CB-CD2 4.35Å; H55-Y264 HydrophobicContact CB-CE1 3.77Å; H55-Y264 HydrophobicContact CB-CE2 4.18Å; H55-Y264 HydrophobicContact CB-CG 4.23Å; H55-Y264 AromaticContact ND1-CD1 3.46Å; H55-Y264 WeakPolarHBondContact ND1-CD1 3.34Å; H55-Y264 AromaticContact ND1-CE1 3.55Å; H55-E405 IonicContact CE1-OE1 2.62Å; H55-E405 PolarHBondContact CE1-OE1 2.84Å; H55-E405 IonicContact ND1-OE1 2.96Å; H55-E405 PolarHBondContact ND1-OE1 2.91Å
56	D	98.4	Very high	96	Very high	94 Å²	94	62.5 Å²	62.5	50%	0.503	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-39.2	178.7	-67.6	-14	0	0	0	111.3	S52 A58 Q59	S52-D56 WeakPolarHBondContact O-CB 3.49Å; S52-D56 VanDerWaalsContact O-CG 3.3Å; S52-D56 PolarHBondContact O-N 2.86Å; D56-A58 VanDerWaalsContact C-N 3.28Å; D56-A58 PolarHBondContact O-N 3.38Å; D56-Q59 WeakPolarHBondContact O-CB 3.47Å; D56-Q59 PolarHBondContact O-N 2.73Å; D56-Q59 VanDerWaalsContact O-N 3.12Å
57	L	97.9	Very high	95.3	Very high	31 Å²	31	69.5 Å²	69.5	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-33.7	178.5	-173	64.4	0	0	0	111.9	M53 A54 H55 Q59 T60 L234 D236 T241 R266	M53-L57 WeakPolarHBondContact O-CB 3.46Å; M53-L57 PolarHBondContact O-N 2.99Å; A54-L57 PolarHBondContact O-N 2.69Å; H55-L57 VanDerWaalsContact C-N 3.28Å; H55-L57 PolarHBondContact O-N 2.79Å; L57-Q59 PolarHBondContact O-N 3.3Å; L57-T60 PolarHBondContact O-N 3.02Å; L57-T60 VanDerWaalsContact O-N 3.13Å; L57-T60 PolarHBondContact O-OG1 3.5Å; L57-L234 HydrophobicContact CD2-CD1 4.45Å; L57-L234 HydrophobicContact CD2-CD2 4.22Å; L57-L234 HydrophobicContact CD2-CG 4.48Å; L57-D236 HydrophobicContact CD2-CB 3.8Å; L57-T241 HydrophobicContact CB-CG2 4.03Å; L57-T241 HydrophobicContact CD2-CG2 3.98Å; L57-T241 HydrophobicContact CG-CG2 3.83Å; L57-R266 PolarHBondContact O-NH2 3.18Å
58	A	98.2	Very high	94.7	Very high	15 Å²	15	72.9 Å²	72.9	12%	0.124	39%	0.393	C	S	.	.	H	α-helix	trans	-64.5	-24.8	176.6	0	0	0	0	0	113	A54 H55 D56 T60 T241 R266	A54-A58 PolarHBondContact O-N 2.89Å; A54-A58 VanDerWaalsContact O-N 3.11Å; H55-A58 WeakPolarHBondContact O-CB 3.34Å; H55-A58 PolarHBondContact O-N 3.09Å; H55-A58 VanDerWaalsContact O-N 3.13Å; D56-A58 VanDerWaalsContact C-N 3.28Å; D56-A58 PolarHBondContact O-N 3.38Å; A58-T60 VanDerWaalsContact C-N 3.26Å; A58-T60 PolarHBondContact O-N 3.34Å; A58-T241 HydrophobicContact CB-CG2 4.14Å; A58-R266 WeakPolarHBondContact O-CG 3.49Å
59	Q	97.9	Very high	94.2	Very high	143 Å²	143	70.4 Å²	70.4	67%	0.668	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.6	177.6	-56.3	178.6	-4.3	0	0	113.1	H55 D56 L57	H55-Q59 PolarHBondContact NE2-NE2 2.94Å; H55-Q59 VanDerWaalsContact NE2-NE2 3.15Å; D56-Q59 WeakPolarHBondContact O-CB 3.47Å; D56-Q59 PolarHBondContact O-N 2.73Å; D56-Q59 VanDerWaalsContact O-N 3.12Å; L57-Q59 PolarHBondContact O-N 3.3Å
60	T	96.6	Very high	93.6	Very high	65 Å²	65	69.6 Å²	69.6	40%	0.399	37%	0.372	S	S	.	.	S	Bend	trans	-102.5	154.3	178.7	69.6	0	0	0	0	111.6	L57 A58 R266	L57-T60 PolarHBondContact O-N 3.02Å; L57-T60 VanDerWaalsContact O-N 3.13Å; L57-T60 PolarHBondContact O-OG1 3.5Å; A58-T60 VanDerWaalsContact C-N 3.26Å; A58-T60 PolarHBondContact O-N 3.34Å; T60-R266 WeakPolarHBondContact O-CD 3.5Å; T60-R266 PolarHBondContact O-NE 3.02Å
61	A	95.1	Very high	93	Very high	87 Å²	87	75.7 Å²	75.7	72%	0.719	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-65.1	138.1	173.1	0	0	0	0	0	110.8	R63	A61-R63 PolarHBondContact O-N 3.35Å
62	W	95.5	Very high	92.4	Very high	91 Å²	91	75.1 Å²	75.1	35%	0.345	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-58.1	132.8	174.5	-175.4	53.5	0	0	0	111.1	G64 A238 R266	W62-G64 WeakPolarHBondContact CZ2-O 3.39Å; W62-G64 PolarHBondContact O-N 2.93Å; W62-A238 HydrophobicContact CD2-CB 3.9Å; W62-A238 HydrophobicContact CE3-CB 3.59Å; W62-A238 HydrophobicContact CG-CB 4.32Å; W62-A238 HydrophobicContact CZ3-CB 4.08Å; W62-R266 VanDerWaalsContact CB-NH1 3.26Å
63	R	89.7	Confident	92.1	Very high	218 Å²	218	71.9 Å²	71.9	82%	0.823	38%	0.382	S	S	*	.			trans	-72.2	2.3	-174.7	-63.5	-175.8	179.9	-170.7	0.5	114.6	A61	A61-R63 PolarHBondContact O-N 3.35Å
64	G	90	Very high	91.6	Very high	20 Å²	20	69.6 Å²	69.6	21%	0.206	37%	0.373	C	S	.	.			trans	81.5	-162.2	174.7	0	0	0	0	0	113.9	W62 R114	W62-G64 WeakPolarHBondContact CZ2-O 3.39Å; W62-G64 PolarHBondContact O-N 2.93Å; G64-R114 PolarHBondContact O-NH2 2.83Å
65	A	86.1	Confident	91.1	Very high	83 Å²	83	74.8 Å²	74.8	69%	0.686	41%	0.405	S	S	*	.	S	Bend	trans	-70.4	152.9	177	0	0	0	0	0	111.6
66	P	85.8	Confident	90.6	Very high	48 Å²	48	72.7 Å²	72.7	31%	0.312	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-68.2	157.2	175.7	31.2	-33.5	0	0	0	110.6	R113 R114	P66-R113 WeakPolarHBondContact CB-O 3.29Å; P66-R113 HydrophobicContact CG-CB 3.86Å; P66-R114 HydrophobicContact CB-CB 4.47Å; P66-R114 HydrophobicContact CG-CB 4.34Å
67	R	83.2	Confident	90.2	Very high	194 Å²	194	71.8 Å²	71.8	73%	0.732	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-58.8	149.9	172	-173.3	-179.9	176	157.2	0.7	110.2	L69	R67-L69 PolarHBondContact O-N 3.29Å
68	P	85.3	Confident	89.8	Confident	95 Å²	95	72.3 Å²	72.3	62%	0.617	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-54.3	137.4	169.3	-26.1	35.2	0	0	0	111.8
69	L	87.6	Confident	89.4	Confident	11 Å²	11	77.9 Å²	77.9	6%	0.058	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-64.4	153.8	168.8	-69.5	177.3	0	0	0	110.3	R67 L73 A74 M108 R113 L156	R67-L69 PolarHBondContact O-N 3.29Å; L69-L73 HydrophobicContact CB-CB 4.33Å; L69-L73 HydrophobicContact CD1-CB 4.28Å; L69-A74 HydrophobicContact CB-CB 3.98Å; L69-M108 HydrophobicContact CD2-CB 4.28Å; L69-M108 HydrophobicContact CD2-CE 3.5Å; L69-M108 VanDerWaalsContact CD2-CE 3.5Å; L69-R113 HydrophobicContact CD1-CB 4.45Å; L69-R113 HydrophobicContact CD1-CG 3.9Å; L69-R113 HydrophobicContact CG-CB 4.25Å; L69-R113 HydrophobicContact CG-CG 4.03Å; L69-L156 HydrophobicContact CD2-CD2 4.22Å
70	P	86.5	Confident	89.1	Confident	28 Å²	28	71.9 Å²	71.9	18%	0.182	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-52.6	145.4	164	-24.2	34.6	0	0	0	111.3	T72 L73 A74 Q153 L156	P70-T72 HydrophobicContact CB-CG2 4.23Å; P70-T72 PolarHBondContact O-N 3Å; P70-T72 VanDerWaalsContact O-N 3.15Å; P70-L73 PolarHBondContact O-N 2.65Å; P70-A74 WeakPolarHBondContact O-CB 3.25Å; P70-A74 PolarHBondContact O-N 2.8Å; P70-Q153 VanDerWaalsContact CG-NE2 3.34Å; P70-L156 HydrophobicContact CG-CD2 4.27Å
71	D	86.1	Confident	88.9	Confident	129 Å²	129	69.1 Å²	69.1	69%	0.69	38%	0.38	S	S	*	.	H	α-helix	trans	-57.8	-34.6	-173.1	-75.9	-16.6	0	0	0	113.4	L73 A74 T75	D71-L73 PolarHBondContact O-N 3.11Å; D71-A74 PolarHBondContact O-N 3.13Å; D71-T75 PolarHBondContact O-N 2.97Å; D71-T75 VanDerWaalsContact O-N 3.16Å; D71-T75 PolarHBondContact O-OG1 2.93Å
72	T	86.8	Confident	88.7	Confident	27 Å²	27	67.4 Å²	67.4	17%	0.166	36%	0.359	C	S	.	.	H	α-helix	trans	-58.4	-33.3	175.2	-173.3	0	0	0	0	112.7	P70 M76 Q149 L150	P70-T72 HydrophobicContact CB-CG2 4.23Å; P70-T72 PolarHBondContact O-N 3Å; P70-T72 VanDerWaalsContact O-N 3.15Å; T72-M76 WeakPolarHBondContact O-CG 3.47Å; T72-Q149 HydrophobicContact CG2-CB 4.49Å; T72-Q149 VanDerWaalsContact CG2-OE1 3.29Å; T72-L150 HydrophobicContact CG2-CD2 4.43Å
73	L	91.1	Very high	88.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-93.8	-32.8	176.9	-62.5	-179.3	0	0	0	112.5	L69 P70 D71 M76 M110 V145 L150 L156	L69-L73 HydrophobicContact CB-CB 4.33Å; L69-L73 HydrophobicContact CD1-CB 4.28Å; P70-L73 PolarHBondContact O-N 2.65Å; D71-L73 PolarHBondContact O-N 3.11Å; L73-M76 HydrophobicContact CB-CE 4.19Å; L73-M76 HydrophobicContact CD2-CE 3.85Å; L73-M76 HydrophobicContact CD2-SD 4.27Å; L73-M76 WeakPolarHBondContact O-CE 3.49Å; L73-M110 PolarHBondContact O-N 3Å; L73-V145 HydrophobicContact CD2-CG1 4.24Å; L73-V145 HydrophobicContact CD2-CG2 4.2Å; L73-L150 HydrophobicContact CD1-CD2 3.94Å; L73-L150 HydrophobicContact CD2-CD2 4.42Å; L73-L150 HydrophobicContact CG-CD2 4.18Å; L73-L156 HydrophobicContact CD1-CD1 4.25Å; L73-L156 HydrophobicContact CD1-CD2 3.78Å
74	A	88.4	Confident	88.8	Confident	19 Å²	19	55.3 Å²	55.3	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-71.1	-31.4	-173.5	0	0	0	0	0	113.5	L69 P70 D71	L69-A74 HydrophobicContact CB-CB 3.98Å; P70-A74 WeakPolarHBondContact O-CB 3.25Å; P70-A74 PolarHBondContact O-N 2.8Å; D71-A74 PolarHBondContact O-N 3.13Å
75	T	87.6	Confident	89	Confident	109 Å²	109	59.2 Å²	59.2	67%	0.669	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	7	-172.5	61.8	0	0	0	0	114.1	D71 T77	D71-T75 PolarHBondContact O-N 2.97Å; D71-T75 VanDerWaalsContact O-N 3.16Å; D71-T75 PolarHBondContact O-OG1 2.93Å; T75-T77 PolarHBondContact O-N 3.3Å
76	M	89.6	Confident	89.5	Confident	19 Å²	19	55.7 Å²	55.7	9%	0.094	30%	0.302	C	S	.	.			trans	-55.8	137.4	177.8	-68.3	-169	-71.2	0	0	112.2	T72 L73 A80 Y81 I84 G109 V145	T72-M76 WeakPolarHBondContact O-CG 3.47Å; L73-M76 HydrophobicContact CB-CE 4.19Å; L73-M76 HydrophobicContact CD2-CE 3.85Å; L73-M76 HydrophobicContact CD2-SD 4.27Å; L73-M76 WeakPolarHBondContact O-CE 3.49Å; M76-A80 HydrophobicContact CB-CB 4.35Å; M76-Y81 HydrophobicContact CE-CD2 3.69Å; M76-Y81 HydrophobicContact CE-CE2 4.42Å; M76-I84 HydrophobicContact CE-CD1 4.08Å; M76-I84 HydrophobicContact SD-CD1 3.79Å; M76-G109 VanDerWaalsContact CE-CA 3.44Å; M76-V145 HydrophobicContact SD-CG2 3.99Å
77	T	89.8	Confident	89.9	Confident	75 Å²	75	54.7 Å²	54.7	46%	0.46	29%	0.293	S	S	.	.			trans	-69.8	158	167.2	65.1	0	0	0	0	109.9	T75 Q79 A80 Y81	T75-T77 PolarHBondContact O-N 3.3Å; T77-Q79 PolarHBondContact O-N 2.82Å; T77-A80 PolarHBondContact O-N 3.36Å; T77-A80 VanDerWaalsContact O-N 3.16Å; T77-A80 WeakPolarHBondContact OG1-CB 3.47Å; T77-A80 PolarHBondContact OG1-N 2.76Å; T77-A80 VanDerWaalsContact OG1-N 3.12Å; T77-Y81 PolarHBondContact O-N 3.22Å
78	P	88.3	Confident	90.5	Very high	42 Å²	42	46.7 Å²	46.7	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-52.7	-39.7	172.2	-22.6	28.3	0	0	0	113.2	A12 Y81 N82 M110	A12-P78 HydrophobicContact CB-CB 3.74Å; A12-P78 HydrophobicContact CB-CG 4.06Å; P78-Y81 PolarHBondContact O-N 2.94Å; P78-N82 WeakPolarHBondContact O-CB 3.43Å; P78-N82 PolarHBondContact O-N 3.35Å; P78-N82 PolarHBondContact O-ND2 3.03Å; P78-M110 HydrophobicContact CB-CE 4.15Å; P78-M110 HydrophobicContact CG-CE 3.61Å
79	Q	89.7	Confident	90.9	Very high	133 Å²	133	47.9 Å²	47.9	62%	0.621	27%	0.266	S	S	*	.	H	α-helix	trans	-62.9	-47.5	178.1	-65.8	78.2	6.6	0	0	111.1	T77 N82 S83	T77-Q79 PolarHBondContact O-N 2.82Å; Q79-N82 PolarHBondContact O-N 3.46Å; Q79-S83 PolarHBondContact O-N 2.98Å; Q79-S83 PolarHBondContact O-OG 2.72Å
80	A	92	Very high	91.3	Very high	17 Å²	17	51.9 Å²	51.9	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-42	177.6	0	0	0	0	0	111.9	M76 T77 N82 S83 A143	M76-A80 HydrophobicContact CB-CB 4.35Å; T77-A80 PolarHBondContact O-N 3.36Å; T77-A80 VanDerWaalsContact O-N 3.16Å; T77-A80 WeakPolarHBondContact OG1-CB 3.47Å; T77-A80 PolarHBondContact OG1-N 2.76Å; T77-A80 VanDerWaalsContact OG1-N 3.12Å; A80-N82 VanDerWaalsContact C-N 3.34Å; A80-N82 PolarHBondContact O-N 3.38Å; A80-S83 WeakPolarHBondContact O-CB 3.49Å; A80-S83 PolarHBondContact O-N 3.25Å; A80-A143 VanDerWaalsContact O-CB 3.24Å; A80-A143 WeakPolarHBondContact O-CB 3.45Å
81	Y	92.7	Very high	91.8	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-43.3	175.7	-176.1	-104.5	0	0	0	111.9	M13 M76 T77 P78 S83 I84 H107 M110 F112	M13-Y81 HydrophobicContact CE-CD1 4.23Å; M13-Y81 HydrophobicContact CE-CE1 3.81Å; M13-Y81 HydrophobicContact CG-CE1 4.48Å; M76-Y81 HydrophobicContact CE-CD2 3.69Å; M76-Y81 HydrophobicContact CE-CE2 4.42Å; T77-Y81 PolarHBondContact O-N 3.22Å; P78-Y81 PolarHBondContact O-N 2.94Å; Y81-S83 VanDerWaalsContact C-N 3.27Å; Y81-S83 PolarHBondContact O-N 3.32Å; Y81-I84 WeakPolarHBondContact O-CB 3.17Å; Y81-I84 PolarHBondContact O-N 2.93Å; Y81-H107 WeakPolarHBondContact CE2-O 3.23Å; Y81-H107 PolarHBondContact OH-O 2.83Å; Y81-M110 HydrophobicContact CD2-CB 4.34Å; Y81-M110 HydrophobicContact CG-CB 4.46Å; Y81-F112 AromaticContact CE1-CD2 3.96Å; Y81-F112 HydrophobicContact CE1-CD2 3.96Å; Y81-F112 AromaticContact CE1-CE2 3.76Å; Y81-F112 HydrophobicContact CE1-CE2 3.76Å; Y81-F112 HydrophobicContact CE2-CD2 4.22Å; Y81-F112 AromaticContact CZ-CD2 3.58Å; Y81-F112 AromaticContact CZ-CE2 3.88Å; Y81-F112 WeakPolarHBondContact OH-CD2 3.31Å
82	N	90.7	Very high	92.4	Very high	51 Å²	51	44.5 Å²	44.5	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-70.2	-22.1	178.7	-67.7	-14.4	0	0	0	113.2	A12 M13 P78 Q79 A80 I84	A12-N82 PolarHBondContact O-ND2 3.21Å; A12-N82 VanDerWaalsContact O-ND2 3.17Å; M13-N82 VanDerWaalsContact CG-OD1 3.25Å; M13-N82 WeakPolarHBondContact CG-OD1 3.31Å; M13-N82 PolarHBondContact SD-OD1 3.35Å; P78-N82 WeakPolarHBondContact O-CB 3.43Å; P78-N82 PolarHBondContact O-N 3.35Å; P78-N82 PolarHBondContact O-ND2 3.03Å; Q79-N82 PolarHBondContact O-N 3.46Å; A80-N82 VanDerWaalsContact C-N 3.34Å; A80-N82 PolarHBondContact O-N 3.38Å; N82-I84 VanDerWaalsContact C-N 3.26Å; N82-I84 PolarHBondContact O-N 2.82Å
83	S	93.1	Very high	92.9	Very high	38 Å²	38	43.2 Å²	43.2	27%	0.266	24%	0.235	S	C	.	.	H	α-helix	trans	-70.1	-21	172.6	-66.8	0	0	0	0	112.8	Q79 A80 Y81 Q85 N141	Q79-S83 PolarHBondContact O-N 2.98Å; Q79-S83 PolarHBondContact O-OG 2.72Å; A80-S83 WeakPolarHBondContact O-CB 3.49Å; A80-S83 PolarHBondContact O-N 3.25Å; Y81-S83 VanDerWaalsContact C-N 3.27Å; Y81-S83 PolarHBondContact O-N 3.32Å; S83-Q85 PolarHBondContact O-N 3.01Å; S83-N141 WeakPolarHBondContact O-CB 3.43Å; S83-N141 PolarHBondContact O-ND2 2.68Å
84	I	94.1	Very high	93.1	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.087	25%	0.247	C	C	.	.			trans	-74	118.9	173.7	-55.6	176.7	0	0	0	108.9	M76 Y81 N82 H107 F138 Y140 A143 V145	M76-I84 HydrophobicContact CE-CD1 4.08Å; M76-I84 HydrophobicContact SD-CD1 3.79Å; Y81-I84 WeakPolarHBondContact O-CB 3.17Å; Y81-I84 PolarHBondContact O-N 2.93Å; N82-I84 VanDerWaalsContact C-N 3.26Å; N82-I84 PolarHBondContact O-N 2.82Å; I84-H107 HydrophobicContact CG2-CB 3.96Å; I84-F138 HydrophobicContact CG2-CB 4.24Å; I84-F138 HydrophobicContact CG2-CD1 3.84Å; I84-F138 HydrophobicContact CG2-CG 4.35Å; I84-Y140 HydrophobicContact CD1-CD1 4.14Å; I84-Y140 HydrophobicContact CD1-CE1 4.37Å; I84-Y140 HydrophobicContact CG1-CD1 4.11Å; I84-Y140 HydrophobicContact CG2-CD1 4.27Å; I84-Y140 HydrophobicContact CG2-CE1 4.39Å; I84-A143 HydrophobicContact CD1-CB 4.25Å; I84-A143 HydrophobicContact CG1-CB 3.55Å; I84-V145 HydrophobicContact CD1-CG2 4.2Å
85	Q	94.6	Very high	93.4	Very high	101 Å²	101	46.9 Å²	46.9	47%	0.472	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.2	-179.9	-66.7	180	-6.1	0	0	110.4	S83 F138 K139	S83-Q85 PolarHBondContact O-N 3.01Å; Q85-F138 CarbonylContact O-C 3.55Å; Q85-F138 WeakPolarHBondContact O-CA 3.46Å; Q85-K139 PolarHBondContact N-O 2.82Å; Q85-K139 PolarHBondContact O-N 2.83Å
86	Y	96.1	Very high	93.7	Very high	10 Å²	10	41.8 Å²	41.8	4%	0.039	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	138.8	170	-164.4	-81.6	0	0	0	109.8	I37 A88 K90 Q104 F105 L137 F138 F158	I37-Y86 WeakPolarHBondContact CD1-OH 3.49Å; Y86-A88 PolarHBondContact O-N 3.31Å; Y86-K90 HydrophobicContact CE1-CB 4.17Å; Y86-K90 VanDerWaalsContact CE1-O 3.3Å; Y86-K90 WeakPolarHBondContact CE1-O 3.38Å; Y86-K90 PolarHBondContact OH-O 2.85Å; Y86-Q104 HydrophobicContact CD1-CB 3.86Å; Y86-Q104 HydrophobicContact CD1-CG 3.69Å; Y86-Q104 HydrophobicContact CD2-CB 4.46Å; Y86-Q104 HydrophobicContact CE1-CG 4.45Å; Y86-Q104 HydrophobicContact CG-CB 3.78Å; Y86-Q104 HydrophobicContact CG-CG 4.08Å; Y86-F105 HydrophobicContact CD2-CB 4.09Å; Y86-F105 VanDerWaalsContact CD2-O 3.26Å; Y86-F105 WeakPolarHBondContact CD2-O 3.16Å; Y86-F105 HydrophobicContact CE2-CB 3.86Å; Y86-F105 AromaticContact CE2-CD2 3.74Å; Y86-F105 HydrophobicContact CE2-CD2 3.74Å; Y86-F105 HydrophobicContact CE2-CG 4.16Å; Y86-L137 HydrophobicContact CE2-CB 4.02Å; Y86-F138 HydrophobicContact CD2-CD1 4.11Å; Y86-F138 AromaticContact CD2-CE1 3.59Å; Y86-F138 HydrophobicContact CD2-CE1 3.59Å; Y86-F138 HydrophobicContact CD2-CE2 4.27Å; Y86-F138 AromaticContact CD2-CZ 3.68Å; Y86-F138 HydrophobicContact CD2-CZ 3.68Å; Y86-F138 HydrophobicContact CE2-CE1 4.42Å; Y86-F138 HydrophobicContact CE2-CE2 4.36Å; Y86-F138 HydrophobicContact CE2-CZ 4.07Å; Y86-F138 HydrophobicContact CG-CE1 4.39Å; Y86-F158 HydrophobicContact CE2-CE1 4.25Å
87	D	95.6	Very high	93.9	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.139	23%	0.227	C	C	.	.			trans	-71.9	116.9	177.9	-169.1	5.7	0	0	0	111	E89 K90 S91 L137 K139	D87-E89 PolarHBondContact O-N 3.22Å; D87-E89 PolarHBondContact OD1-N 3.23Å; D87-K90 HydrophobicContact CB-CB 4.2Å; D87-K90 HydrophobicContact CB-CG 4.04Å; D87-K90 CarbonylContact O-C 3.56Å; D87-K90 WeakPolarHBondContact O-CA 3.47Å; D87-K90 WeakPolarHBondContact O-CB 3.49Å; D87-K90 PolarHBondContact O-N 2.81Å; D87-S91 PolarHBondContact O-N 2.93Å; D87-L137 PolarHBondContact N-O 2.79Å; D87-K139 VanDerWaalsContact CG-CE 3.44Å; D87-K139 WeakPolarHBondContact OD1-CE 3.32Å; D87-K139 IonicContact OD1-NZ 3.91Å; D87-K139 PolarHBondContact OD1-NZ 2.92Å
88	A	94.9	Very high	94.2	Very high	27 Å²	27	45.5 Å²	45.5	22%	0.223	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-64.7	-21.7	-177.6	0	0	0	0	0	113.8	Y86 K90 S91 H94 A170	Y86-A88 PolarHBondContact O-N 3.31Å; A88-K90 PolarHBondContact O-N 2.81Å; A88-S91 PolarHBondContact O-OG 2.83Å; A88-H94 PolarHBondContact O-ND1 3.05Å; A88-A170 HydrophobicContact CB-CB 3.64Å
89	E	94.7	Very high	94.6	Very high	120 Å²	120	46.1 Å²	46.1	56%	0.561	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-77.5	-9.2	172.7	-59.9	-56	118	0	0	112.5	D87 H94	D87-E89 PolarHBondContact O-N 3.22Å; D87-E89 PolarHBondContact OD1-N 3.23Å; E89-H94 IonicContact OE1-CE1 3.54Å; E89-H94 IonicContact OE2-CE1 3.88Å; E89-H94 PolarHBondContact OE2-CE1 2.95Å; E89-H94 IonicContact OE2-NE2 3.09Å; E89-H94 PolarHBondContact OE2-NE2 3.45Å
90	K	95.8	Very high	95	Very high	94 Å²	94	43.1 Å²	43.1	41%	0.409	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-114	9.4	178.5	-58.1	-59.4	-179.4	-169.9	0	112.1	I37 Y86 D87 A88 L137	I37-K90 WeakPolarHBondContact CD1-O 3.2Å; I37-K90 HydrophobicContact CG2-CB 4.06Å; I37-K90 HydrophobicContact CG2-CD 4.28Å; I37-K90 WeakPolarHBondContact CG2-O 3.42Å; Y86-K90 HydrophobicContact CE1-CB 4.17Å; Y86-K90 VanDerWaalsContact CE1-O 3.3Å; Y86-K90 WeakPolarHBondContact CE1-O 3.38Å; Y86-K90 PolarHBondContact OH-O 2.85Å; D87-K90 HydrophobicContact CB-CB 4.2Å; D87-K90 HydrophobicContact CB-CG 4.04Å; D87-K90 CarbonylContact O-C 3.56Å; D87-K90 WeakPolarHBondContact O-CA 3.47Å; D87-K90 WeakPolarHBondContact O-CB 3.49Å; D87-K90 PolarHBondContact O-N 2.81Å; A88-K90 PolarHBondContact O-N 2.81Å; K90-L137 HydrophobicContact CB-CD2 3.87Å; K90-L137 HydrophobicContact CG-CD2 4.27Å
91	S	96.9	Very high	95.3	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.021	21%	0.21	C	C	.	.			trans	-62.4	153.7	179.9	53.9	0	0	0	0	111.5	D87 A88 W93 H94 D102 A103	D87-S91 PolarHBondContact O-N 2.93Å; A88-S91 PolarHBondContact O-OG 2.83Å; S91-W93 VanDerWaalsContact C-N 3.26Å; S91-W93 PolarHBondContact O-N 2.99Å; S91-W93 VanDerWaalsContact O-N 3.14Å; S91-H94 VanDerWaalsContact O-CB 3.3Å; S91-H94 WeakPolarHBondContact O-CB 3.2Å; S91-H94 PolarHBondContact O-N 3.14Å; S91-H94 VanDerWaalsContact O-N 3.07Å; S91-H94 WeakPolarHBondContact OG-CB 3.24Å; S91-D102 WeakPolarHBondContact CB-OD1 3.29Å; S91-D102 WeakPolarHBondContact CB-OD2 3.4Å; S91-D102 PolarHBondContact OG-OD1 2.83Å; S91-D102 PolarHBondContact OG-OD2 2.86Å; S91-A103 WeakPolarHBondContact CB-O 3.43Å
92	L	97.6	Very high	95.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-41.6	-168.3	176.6	62	0	0	0	113.2	S35 I37 A103 F105 I131 F219	S35-L92 WeakPolarHBondContact CB-O 3.44Å; S35-L92 PolarHBondContact OG-O 3.42Å; I37-L92 HydrophobicContact CD1-CD1 4.46Å; L92-A103 HydrophobicContact CB-CB 4.04Å; L92-A103 HydrophobicContact CD2-CB 4.05Å; L92-A103 PolarHBondContact N-O 2.8Å; L92-F105 HydrophobicContact CB-CZ 4.15Å; L92-F105 HydrophobicContact CD1-CZ 4.15Å; L92-F105 HydrophobicContact CD2-CZ 4.2Å; L92-F105 HydrophobicContact CG-CZ 4.39Å; L92-I131 HydrophobicContact CD1-CD1 3.46Å; L92-I131 VanDerWaalsContact CD1-CD1 3.46Å; L92-F219 HydrophobicContact CD2-CB 3.61Å; L92-F219 HydrophobicContact CD2-CD1 3.96Å; L92-F219 HydrophobicContact CD2-CD2 3.97Å; L92-F219 HydrophobicContact CD2-CG 3.58Å
93	W	97.5	Very high	95.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	20.6	-176.7	-57.9	-41.4	0	0	0	112.1	S91 N95 V96 R99 L101 D102 A103 V163 F219 V222 F229	S91-W93 VanDerWaalsContact C-N 3.26Å; S91-W93 PolarHBondContact O-N 2.99Å; S91-W93 VanDerWaalsContact O-N 3.14Å; W93-N95 PolarHBondContact O-N 2.94Å; W93-N95 VanDerWaalsContact O-N 3.16Å; W93-V96 HydrophobicContact CB-CB 4.45Å; W93-V96 HydrophobicContact CB-CG2 3.95Å; W93-V96 WeakPolarHBondContact O-CB 3.46Å; W93-V96 PolarHBondContact O-N 3.26Å; W93-R99 WeakPolarHBondContact O-CD 3.37Å; W93-L101 HydrophobicContact CE3-CB 4.04Å; W93-L101 HydrophobicContact CZ3-CB 3.89Å; W93-D102 PolarHBondContact N-OD1 2.81Å; W93-A103 HydrophobicContact CE3-CB 4.32Å; W93-A103 HydrophobicContact CH2-CB 4.34Å; W93-A103 HydrophobicContact CZ3-CB 4.13Å; W93-V163 HydrophobicContact CZ3-CG1 4.33Å; W93-F219 HydrophobicContact CZ2-CB 4.3Å; W93-V222 HydrophobicContact CB-CG2 3.92Å; W93-V222 HydrophobicContact CD2-CB 4.25Å; W93-V222 HydrophobicContact CD2-CG1 3.82Å; W93-V222 HydrophobicContact CD2-CG2 3.53Å; W93-V222 HydrophobicContact CE3-CB 4.34Å; W93-V222 HydrophobicContact CE3-CG1 3.69Å; W93-V222 HydrophobicContact CE3-CG2 3.68Å; W93-V222 HydrophobicContact CG-CG2 3.63Å; W93-V222 HydrophobicContact CH2-CG1 3.63Å; W93-V222 HydrophobicContact CZ2-CG1 3.69Å; W93-V222 HydrophobicContact CZ3-CG1 3.61Å; W93-V222 HydrophobicContact CZ3-CG2 4.46Å; W93-F229 HydrophobicContact CH2-CB 3.62Å; W93-F229 HydrophobicContact CH2-CD1 4.28Å; W93-F229 AromaticContact CH2-CD2 3.58Å; W93-F229 HydrophobicContact CH2-CD2 3.58Å; W93-F229 HydrophobicContact CH2-CE2 4.24Å; W93-F229 AromaticContact CH2-CG 3.58Å; W93-F229 HydrophobicContact CH2-CG 3.58Å; W93-F229 HydrophobicContact CZ2-CB 4.22Å; W93-F229 HydrophobicContact CZ2-CD2 4.28Å; W93-F229 HydrophobicContact CZ2-CG 4.46Å; W93-F229 HydrophobicContact CZ3-CB 4.29Å; W93-F229 HydrophobicContact CZ3-CG 4.27Å
94	H	96	Very high	96.2	Very high	54 Å²	54	38.1 Å²	38.1	25%	0.25	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-38.9	-179.1	-174.2	88.4	0	0	0	112.9	A88 E89 S91 V96 R99	A88-H94 PolarHBondContact O-ND1 3.05Å; E89-H94 IonicContact OE1-CE1 3.54Å; E89-H94 IonicContact OE2-CE1 3.88Å; E89-H94 PolarHBondContact OE2-CE1 2.95Å; E89-H94 IonicContact OE2-NE2 3.09Å; E89-H94 PolarHBondContact OE2-NE2 3.45Å; S91-H94 VanDerWaalsContact O-CB 3.3Å; S91-H94 WeakPolarHBondContact O-CB 3.2Å; S91-H94 PolarHBondContact O-N 3.14Å; S91-H94 VanDerWaalsContact O-N 3.07Å; S91-H94 WeakPolarHBondContact OG-CB 3.24Å; H94-V96 VanDerWaalsContact C-N 3.29Å; H94-V96 PolarHBondContact O-N 3.03Å; H94-R99 PolarHBondContact ND1-NH2 2.96Å; H94-R99 PolarHBondContact O-NH1 2.72Å
95	N	93.8	Very high	96.3	Very high	41 Å²	41	37.4 Å²	37.4	22%	0.219	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.7	-178.1	67	-21.6	0	0	0	114.3	A33 D34 W93 E97	A33-N95 PolarHBondContact O-ND2 2.88Å; D34-N95 PolarHBondContact O-ND2 2.99Å; W93-N95 PolarHBondContact O-N 2.94Å; W93-N95 VanDerWaalsContact O-N 3.16Å; N95-E97 PolarHBondContact O-N 2.89Å
96	V	95.2	Very high	96.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	16%	0.162	C	C	.	.	S	Bend	trans	-76.5	116.4	175.3	178.8	0	0	0	0	109.4	A32 W93 H94 R99 T221 V222 P224	A32-V96 HydrophobicContact CB-CG2 4.5Å; W93-V96 HydrophobicContact CB-CB 4.45Å; W93-V96 HydrophobicContact CB-CG2 3.95Å; W93-V96 WeakPolarHBondContact O-CB 3.46Å; W93-V96 PolarHBondContact O-N 3.26Å; H94-V96 VanDerWaalsContact C-N 3.29Å; H94-V96 PolarHBondContact O-N 3.03Å; V96-R99 HydrophobicContact CB-CB 4.02Å; V96-R99 HydrophobicContact CG1-CB 4.05Å; V96-R99 WeakPolarHBondContact O-CB 3.4Å; V96-R99 PolarHBondContact O-N 2.99Å; V96-T221 HydrophobicContact CG2-CG2 3.98Å; V96-V222 HydrophobicContact CG1-CG2 4.37Å; V96-V222 HydrophobicContact CG2-CG2 4.3Å; V96-P224 HydrophobicContact CG1-CG 4.19Å
97	E	93.5	Very high	96.4	Very high	58 Å²	58	33 Å²	33	27%	0.271	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	140.7	175.7	-166.2	-172.2	-169.4	0	0	111	A29 N95 R99 P224	A29-E97 WeakPolarHBondContact CA-OE2 3.19Å; A29-E97 WeakPolarHBondContact CB-OE2 3.38Å; N95-E97 PolarHBondContact O-N 2.89Å; E97-R99 PolarHBondContact O-N 2.94Å; E97-P224 WeakPolarHBondContact O-CA 3.32Å; E97-P224 VanDerWaalsContact O-CB 3.24Å; E97-P224 WeakPolarHBondContact O-CB 3.39Å
98	N	95.6	Very high	96.3	Very high	115 Å²	115	32 Å²	32	62%	0.615	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	29.4	179	-61.3	-44.6	0	0	0	113.7	Q100 G225	N98-Q100 PolarHBondContact O-N 3Å; N98-G225 PolarHBondContact O-N 3.03Å; N98-G225 VanDerWaalsContact O-N 3.11Å
99	R	96.3	Very high	96.1	Very high	55 Å²	55	30.8 Å²	30.8	21%	0.208	15%	0.145	C	C	.	.			trans	-58.2	134.4	-179.9	70.7	-172.1	-172.6	-90.4	6.3	111.4	W93 H94 V96 E97 D102 L169	W93-R99 WeakPolarHBondContact O-CD 3.37Å; H94-R99 PolarHBondContact ND1-NH2 2.96Å; H94-R99 PolarHBondContact O-NH1 2.72Å; V96-R99 HydrophobicContact CB-CB 4.02Å; V96-R99 HydrophobicContact CG1-CB 4.05Å; V96-R99 WeakPolarHBondContact O-CB 3.4Å; V96-R99 PolarHBondContact O-N 2.99Å; E97-R99 PolarHBondContact O-N 2.94Å; R99-D102 IonicContact CZ-OD2 3.74Å; R99-D102 IonicContact NE-OD2 2.73Å; R99-D102 PolarHBondContact NE-OD2 2.99Å; R99-D102 IonicContact NH2-OD2 3.99Å; R99-D102 PolarHBondContact NH2-OD2 2.87Å; R99-D102 VanDerWaalsContact NH2-OD2 3.17Å; R99-L169 HydrophobicContact CG-CD1 3.99Å
100	Q	98.1	Very high	95.9	Very high	70 Å²	70	26.7 Å²	26.7	33%	0.327	13%	0.127	S	C	.	.	S	Bend	trans	-99.6	-12.9	170.7	-61.3	-61.7	-61.5	0	0	112	N98 K165 A166 G225 T227	N98-Q100 PolarHBondContact O-N 3Å; Q100-K165 CarbonylContact O-C 3.55Å; Q100-K165 WeakPolarHBondContact O-CA 3.15Å; Q100-A166 PolarHBondContact O-N 3.47Å; Q100-G225 WeakPolarHBondContact CG-O 3.48Å; Q100-T227 HydrophobicContact CB-CG2 3.82Å; Q100-T227 HydrophobicContact CG-CG2 4.33Å
101	L	98.5	Very high	95.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.8	178	-64	176.3	0	0	0	109.9	W93 V163 F164 K165 V222 A226 F229 C250	W93-L101 HydrophobicContact CE3-CB 4.04Å; W93-L101 HydrophobicContact CZ3-CB 3.89Å; L101-V163 HydrophobicContact CD2-CG1 4.27Å; L101-F164 WeakPolarHBondContact CA-O 3.41Å; L101-F164 WeakPolarHBondContact CD2-O 3.28Å; L101-K165 HydrophobicContact CD2-CB 3.95Å; L101-K165 HydrophobicContact CD2-CG 3.93Å; L101-V222 HydrophobicContact CD1-CG1 4.42Å; L101-A226 WeakPolarHBondContact CG-O 3.33Å; L101-F229 HydrophobicContact CD1-CB 4.27Å; L101-F229 HydrophobicContact CD1-CD1 3.8Å; L101-F229 HydrophobicContact CD1-CG 4.48Å; L101-C250 HydrophobicContact CD2-CB 3.81Å
102	D	97.9	Very high	95.2	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.5	171.4	-153.2	-10.8	0	0	0	110.1	S91 W93 R99 V163 F164 L169	S91-D102 WeakPolarHBondContact CB-OD1 3.29Å; S91-D102 WeakPolarHBondContact CB-OD2 3.4Å; S91-D102 PolarHBondContact OG-OD1 2.83Å; S91-D102 PolarHBondContact OG-OD2 2.86Å; W93-D102 PolarHBondContact N-OD1 2.81Å; R99-D102 IonicContact CZ-OD2 3.74Å; R99-D102 IonicContact NE-OD2 2.73Å; R99-D102 PolarHBondContact NE-OD2 2.99Å; R99-D102 IonicContact NH2-OD2 3.99Å; R99-D102 PolarHBondContact NH2-OD2 2.87Å; R99-D102 VanDerWaalsContact NH2-OD2 3.17Å; D102-V163 CarbonylContact O-C 3.58Å; D102-V163 WeakPolarHBondContact O-CA 3.29Å; D102-V163 WeakPolarHBondContact O-CG1 3.38Å; D102-F164 PolarHBondContact N-O 3.09Å; D102-F164 VanDerWaalsContact N-O 3.12Å; D102-F164 PolarHBondContact O-N 3.06Å; D102-L169 HydrophobicContact CB-CD2 4Å
103	A	98.5	Very high	94.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141	-177.6	0	0	0	0	0	111.9	S91 L92 W93 R162 V163	S91-A103 WeakPolarHBondContact CB-O 3.43Å; L92-A103 HydrophobicContact CB-CB 4.04Å; L92-A103 HydrophobicContact CD2-CB 4.05Å; L92-A103 PolarHBondContact N-O 2.8Å; W93-A103 HydrophobicContact CE3-CB 4.32Å; W93-A103 HydrophobicContact CH2-CB 4.34Å; W93-A103 HydrophobicContact CZ3-CB 4.13Å; A103-R162 WeakPolarHBondContact CA-O 3.38Å; A103-V163 HydrophobicContact CB-CG2 4.08Å
104	Q	98.1	Very high	94.5	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158	176	-65.2	178.3	-4.1	0	0	109.7	Y86 F161 R162 F164	Y86-Q104 HydrophobicContact CD1-CB 3.86Å; Y86-Q104 HydrophobicContact CD1-CG 3.69Å; Y86-Q104 HydrophobicContact CD2-CB 4.46Å; Y86-Q104 HydrophobicContact CE1-CG 4.45Å; Y86-Q104 HydrophobicContact CG-CB 3.78Å; Y86-Q104 HydrophobicContact CG-CG 4.08Å; Q104-F161 CarbonylContact O-C 3.59Å; Q104-F161 VanDerWaalsContact O-CA 3.25Å; Q104-F161 WeakPolarHBondContact O-CA 3.13Å; Q104-F161 WeakPolarHBondContact O-CB 3.31Å; Q104-R162 HydrophobicContact CB-CG 4.2Å; Q104-R162 PolarHBondContact N-O 2.86Å; Q104-R162 PolarHBondContact O-N 3.4Å; Q104-F164 HydrophobicContact CB-CE2 3.95Å; Q104-F164 VanDerWaalsContact CD-CE2 3.42Å; Q104-F164 HydrophobicContact CG-CD2 4.38Å; Q104-F164 HydrophobicContact CG-CE2 3.63Å; Q104-F164 HydrophobicContact CG-CZ 4.44Å
105	F	97.7	Very high	94.3	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.9	-178.6	-51.8	-47.9	0	0	0	111.8	I37 Y86 L92 M118 I131 F138 F158 G160 F161 F219	I37-F105 HydrophobicContact CD1-CE2 4.01Å; Y86-F105 HydrophobicContact CD2-CB 4.09Å; Y86-F105 VanDerWaalsContact CD2-O 3.26Å; Y86-F105 WeakPolarHBondContact CD2-O 3.16Å; Y86-F105 HydrophobicContact CE2-CB 3.86Å; Y86-F105 AromaticContact CE2-CD2 3.74Å; Y86-F105 HydrophobicContact CE2-CD2 3.74Å; Y86-F105 HydrophobicContact CE2-CG 4.16Å; L92-F105 HydrophobicContact CB-CZ 4.15Å; L92-F105 HydrophobicContact CD1-CZ 4.15Å; L92-F105 HydrophobicContact CD2-CZ 4.2Å; L92-F105 HydrophobicContact CG-CZ 4.39Å; F105-M118 HydrophobicContact CD1-CE 4.08Å; F105-M118 HydrophobicContact CD1-CG 4.02Å; F105-M118 HydrophobicContact CD1-SD 4.13Å; F105-M118 HydrophobicContact CD2-CG 4.39Å; F105-M118 HydrophobicContact CE1-CB 4.29Å; F105-M118 HydrophobicContact CE1-CG 4.01Å; F105-M118 HydrophobicContact CE1-SD 4.13Å; F105-M118 HydrophobicContact CE2-CB 4.29Å; F105-M118 HydrophobicContact CE2-CG 4.39Å; F105-M118 HydrophobicContact CG-CG 4.22Å; F105-M118 HydrophobicContact CZ-CB 4.05Å; F105-M118 HydrophobicContact CZ-CG 4.2Å; F105-I131 HydrophobicContact CE2-CD1 3.83Å; F105-I131 HydrophobicContact CE2-CG2 4.13Å; F105-I131 HydrophobicContact CZ-CD1 3.79Å; F105-F138 WeakPolarHBondContact O-CE1 3.18Å; F105-F158 HydrophobicContact CB-CB 4.12Å; F105-F158 HydrophobicContact CB-CD1 3.27Å; F105-F158 HydrophobicContact CB-CE1 3.75Å; F105-F158 HydrophobicContact CB-CG 3.75Å; F105-F158 AromaticContact CD2-CD1 4Å; F105-F158 HydrophobicContact CD2-CD1 4Å; F105-F158 HydrophobicContact CD2-CD2 4.42Å; F105-F158 AromaticContact CD2-CE1 3.71Å; F105-F158 HydrophobicContact CD2-CE1 3.71Å; F105-F158 HydrophobicContact CD2-CE2 4.14Å; F105-F158 HydrophobicContact CD2-CG 4.33Å; F105-F158 AromaticContact CD2-CZ 3.78Å; F105-F158 HydrophobicContact CD2-CZ 3.78Å; F105-F158 HydrophobicContact CE2-CZ 4.49Å; F105-F158 AromaticContact CG-CD1 3.94Å; F105-F158 HydrophobicContact CG-CD1 3.94Å; F105-F158 HydrophobicContact CG-CE1 4.13Å; F105-F158 HydrophobicContact CG-CG 4.16Å; F105-G160 WeakPolarHBondContact CA-O 3.46Å; F105-F161 HydrophobicContact CD1-CB 3.7Å; F105-F161 HydrophobicContact CE1-CB 4.16Å; F105-F219 AromaticContact CE1-CE2 3.9Å; F105-F219 HydrophobicContact CE1-CE2 3.9Å; F105-F219 AromaticContact CE1-CZ 3.99Å; F105-F219 HydrophobicContact CE1-CZ 3.99Å; F105-F219 HydrophobicContact CZ-CE2 4.39Å
106	F	97	Very high	94.4	Very high	13 Å²	13	31.2 Å²	31.2	6%	0.057	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	142.8	172.7	-71.1	-72.1	0	0	0	110.5	M13 F158 A159 G160 F161 R162 S176 L178	M13-F106 HydrophobicContact CE-CD1 3.9Å; M13-F106 HydrophobicContact CE-CE1 3.63Å; F106-F158 CarbonylContact O-C 3.51Å; F106-F158 VanDerWaalsContact O-CA 3.26Å; F106-F158 WeakPolarHBondContact O-CA 3.26Å; F106-A159 HydrophobicContact CB-CB 4.11Å; F106-A159 PolarHBondContact O-N 2.96Å; F106-G160 PolarHBondContact N-O 3.17Å; F106-F161 WeakPolarHBondContact CE2-O 3.27Å; F106-R162 HydrophobicContact CE2-CB 3.82Å; F106-R162 HydrophobicContact CE2-CG 4.21Å; F106-R162 HydrophobicContact CZ-CB 3.85Å; F106-R162 HydrophobicContact CZ-CG 4.03Å; F106-S176 WeakPolarHBondContact CE2-OG 3.18Å; F106-L178 HydrophobicContact CB-CD1 3.8Å; F106-L178 HydrophobicContact CD1-CD2 4.29Å; F106-L178 HydrophobicContact CD2-CB 4.09Å; F106-L178 HydrophobicContact CD2-CD1 3.87Å; F106-L178 HydrophobicContact CD2-CD2 4.22Å; F106-L178 HydrophobicContact CD2-CG 4.28Å; F106-L178 HydrophobicContact CE1-CD2 4.32Å; F106-L178 HydrophobicContact CE2-CB 4.11Å; F106-L178 HydrophobicContact CE2-CD2 4.24Å; F106-L178 HydrophobicContact CG-CD1 3.86Å; F106-L178 HydrophobicContact CG-CD2 4.24Å; F106-L178 HydrophobicContact CZ-CD2 4.29Å
107	H	95.2	Very high	94.5	Very high	6 Å²	6	36 Å²	36	3%	0.028	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	143.4	175.4	-161.9	-76.3	0	0	0	110.9	Y81 I84 F133 F138 Y140	Y81-H107 WeakPolarHBondContact CE2-O 3.23Å; Y81-H107 PolarHBondContact OH-O 2.83Å; I84-H107 HydrophobicContact CG2-CB 3.96Å; H107-F133 AromaticContact CD2-CE2 3.55Å; H107-F133 AromaticContact CD2-CZ 3.99Å; H107-F133 AromaticContact NE2-CE2 3.31Å; H107-F133 VanDerWaalsContact NE2-CE2 3.31Å; H107-F133 WeakPolarHBondContact NE2-CE2 2.97Å; H107-F133 AromaticContact NE2-CZ 3.26Å; H107-F133 VanDerWaalsContact NE2-CZ 3.26Å; H107-F133 WeakPolarHBondContact NE2-CZ 3.44Å; H107-F138 HydrophobicContact CB-CD1 4.14Å; H107-F138 HydrophobicContact CB-CE1 3.7Å; H107-F138 HydrophobicContact CB-CZ 4.05Å; H107-F138 AromaticContact CD2-CD1 3.99Å; H107-F138 AromaticContact CD2-CD2 3.76Å; H107-F138 AromaticContact CD2-CE2 3.83Å; H107-F138 AromaticContact CD2-CG 3.84Å; H107-F138 AromaticContact CD2-CZ 3.96Å; H107-Y140 AromaticContact NE2-CE1 3.69Å; H107-Y140 AromaticContact NE2-CZ 3.79Å; H107-Y140 PolarHBondContact NE2-OH 3.35Å; H107-Y140 VanDerWaalsContact NE2-OH 3.08Å
108	M	93.3	Very high	94.7	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.03	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-66.4	136.6	168	-78.1	174.9	62.4	0	0	111.6	L69 F112 R113 R115 G157 A159	L69-M108 HydrophobicContact CD2-CB 4.28Å; L69-M108 HydrophobicContact CD2-CE 3.5Å; L69-M108 VanDerWaalsContact CD2-CE 3.5Å; M108-F112 WeakPolarHBondContact CA-O 3.42Å; M108-R113 VanDerWaalsContact CE-C 3.48Å; M108-R113 WeakPolarHBondContact CE-O 3.22Å; M108-R115 HydrophobicContact CE-CB 4.31Å; M108-R115 WeakPolarHBondContact SD-CA 3.33Å; M108-R115 HydrophobicContact SD-CB 3.66Å; M108-R115 HydrophobicContact SD-CG 4.47Å; M108-G157 VanDerWaalsContact CG-O 3.22Å; M108-G157 WeakPolarHBondContact CG-O 3.12Å; M108-G157 PolarHBondContact N-O 3.16Å; M108-G157 PolarHBondContact SD-N 3.22Å; M108-A159 HydrophobicContact CG-CB 4.24Å
109	G	91.7	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	167	159.9	-173.9	0	0	0	0	0	112.7	M76 G111 F112	M76-G109 VanDerWaalsContact CE-CA 3.44Å; G109-G111 PolarHBondContact O-N 3.24Å; G109-F112 PolarHBondContact N-O 2.83Å; G109-F112 PolarHBondContact O-N 3.32Å
110	M	88.9	Confident	94.9	Very high	35 Å²	35	25.4 Å²	25.4	17%	0.172	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-104.9	177.3	-173	-148.1	-162.5	0	0	111.5	L73 P78 Y81	L73-M110 PolarHBondContact O-N 3Å; P78-M110 HydrophobicContact CB-CE 4.15Å; P78-M110 HydrophobicContact CG-CE 3.61Å; Y81-M110 HydrophobicContact CD2-CB 4.34Å; Y81-M110 HydrophobicContact CG-CB 4.46Å
111	G	86.5	Confident	94.9	Very high	35 Å²	35	22 Å²	22	36%	0.361	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-18.2	176.4	0	0	0	0	0	114.7	G109 R113	G109-G111 PolarHBondContact O-N 3.24Å; G111-R113 PolarHBondContact O-N 2.92Å
112	F	91.7	Very high	94.8	Very high	10 Å²	10	24.1 Å²	24.1	4%	0.044	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-93.8	87	-171.7	-51.1	-68	0	0	0	111.2	G9 Y81 M108 G109 A159 L178	G9-F112 WeakPolarHBondContact O-CZ 3.24Å; Y81-F112 AromaticContact CE1-CD2 3.96Å; Y81-F112 HydrophobicContact CE1-CD2 3.96Å; Y81-F112 AromaticContact CE1-CE2 3.76Å; Y81-F112 HydrophobicContact CE1-CE2 3.76Å; Y81-F112 HydrophobicContact CE2-CD2 4.22Å; Y81-F112 AromaticContact CZ-CD2 3.58Å; Y81-F112 AromaticContact CZ-CE2 3.88Å; Y81-F112 WeakPolarHBondContact OH-CD2 3.31Å; M108-F112 WeakPolarHBondContact CA-O 3.42Å; G109-F112 PolarHBondContact N-O 2.83Å; G109-F112 PolarHBondContact O-N 3.32Å; F112-A159 HydrophobicContact CB-CB 3.7Å; F112-A159 HydrophobicContact CG-CB 4.32Å; F112-L178 HydrophobicContact CD1-CD1 3.88Å; F112-L178 HydrophobicContact CD1-CG 4.09Å; F112-L178 HydrophobicContact CD2-CD1 4.25Å; F112-L178 HydrophobicContact CE1-CD1 3.94Å; F112-L178 HydrophobicContact CE1-CD2 4.1Å; F112-L178 HydrophobicContact CE1-CG 3.63Å; F112-L178 HydrophobicContact CE2-CD1 4.29Å; F112-L178 HydrophobicContact CE2-CD2 3.98Å; F112-L178 HydrophobicContact CE2-CG 4.27Å; F112-L178 HydrophobicContact CG-CD1 4.04Å; F112-L178 HydrophobicContact CZ-CD1 4.14Å; F112-L178 HydrophobicContact CZ-CD2 3.64Å; F112-L178 HydrophobicContact CZ-CG 3.72Å
113	R	89.9	Confident	94.6	Very high	105 Å²	105	26.5 Å²	26.5	40%	0.396	13%	0.126	S	C	.	.			trans	-101.2	-9.8	-169.5	-56.7	-178.8	178.7	-127.4	-9.2	114.6	P66 L69 M108 G111	P66-R113 WeakPolarHBondContact CB-O 3.29Å; P66-R113 HydrophobicContact CG-CB 3.86Å; L69-R113 HydrophobicContact CD1-CB 4.45Å; L69-R113 HydrophobicContact CD1-CG 3.9Å; L69-R113 HydrophobicContact CG-CB 4.25Å; L69-R113 HydrophobicContact CG-CG 4.03Å; M108-R113 VanDerWaalsContact CE-C 3.48Å; M108-R113 WeakPolarHBondContact CE-O 3.22Å; G111-R113 PolarHBondContact O-N 2.92Å
114	R	90.7	Very high	94.4	Very high	50 Å²	50	30.5 Å²	30.5	19%	0.189	16%	0.159	C	C	.	.	S	Bend	trans	-96.2	122.5	-177.3	176.6	140.1	-88.3	145.5	-4.2	109.2	G64 P66 D213	G64-R114 PolarHBondContact O-NH2 2.83Å; P66-R114 HydrophobicContact CB-CB 4.47Å; P66-R114 HydrophobicContact CG-CB 4.34Å; R114-D213 WeakPolarHBondContact CD-OD2 3.38Å; R114-D213 IonicContact CZ-OD2 2.66Å; R114-D213 IonicContact NE-OD2 3.82Å; R114-D213 IonicContact NH1-OD2 3.74Å; R114-D213 PolarHBondContact NH1-OD2 3.33Å
115	R	93.2	Very high	94.3	Very high	78 Å²	78	33.6 Å²	33.6	29%	0.294	18%	0.178	S	C	.	.			trans	-64.7	132.9	171	171.1	170	173.7	-160.4	-2.7	110.2	M108 E130 S154	M108-R115 HydrophobicContact CE-CB 4.31Å; M108-R115 WeakPolarHBondContact SD-CA 3.33Å; M108-R115 HydrophobicContact SD-CB 3.66Å; M108-R115 HydrophobicContact SD-CG 4.47Å; R115-E130 IonicContact NH2-OE1 2.75Å; R115-E130 PolarHBondContact NH2-OE1 2.93Å; R115-S154 PolarHBondContact NH1-O 3.06Å
116	V	95.9	Very high	94.2	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.048	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-113.8	121.5	171.2	-173	0	0	0	0	108	M118 F158 F214 T215 F217	V116-M118 HydrophobicContact CB-CE 4.01Å; V116-M118 HydrophobicContact CG1-CE 3.72Å; V116-M118 HydrophobicContact CG1-SD 4.2Å; V116-F158 WeakPolarHBondContact CB-O 3.36Å; V116-F158 PolarHBondContact N-O 3.24Å; V116-F214 WeakPolarHBondContact CG2-O 3.03Å; V116-T215 WeakPolarHBondContact CA-O 3.17Å; V116-F217 HydrophobicContact CG1-CD2 3.41Å; V116-F217 VanDerWaalsContact CG1-CD2 3.41Å; V116-F217 HydrophobicContact CG1-CE2 3.64Å
117	R	96.5	Very high	94.2	Very high	103 Å²	103	40.7 Å²	40.7	39%	0.389	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.4	176.4	-62.6	173.7	69.3	-160	7.2	109.6	F119 E130 T215 A216 F217	R117-F119 HydrophobicContact CB-CE2 3.73Å; R117-F119 HydrophobicContact CB-CZ 4.31Å; R117-F119 VanDerWaalsContact CZ-CZ 3.48Å; R117-E130 IonicContact CZ-OE1 2.87Å; R117-E130 IonicContact CZ-OE2 3Å; R117-E130 IonicContact NE-OE1 2.98Å; R117-E130 PolarHBondContact NE-OE1 2.98Å; R117-E130 IonicContact NE-OE2 3.21Å; R117-E130 PolarHBondContact NE-OE2 3.16Å; R117-E130 IonicContact NH2-OE1 3.11Å; R117-E130 IonicContact NH2-OE2 3.91Å; R117-E130 PolarHBondContact NH2-OE2 3.07Å; R117-T215 PolarHBondContact N-O 3.06Å; R117-A216 HydrophobicContact CB-CB 4.06Å; R117-A216 CarbonylContact O-C 3.46Å; R117-A216 VanDerWaalsContact O-CA 3.23Å; R117-A216 WeakPolarHBondContact O-CA 3.42Å; R117-F217 PolarHBondContact O-N 3.02Å
118	M	97.7	Very high	94.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.6	-179.2	-57.9	-60.9	-177.8	0	0	108.8	F105 V116 E130 I131 F158 G160 F217 F219	F105-M118 HydrophobicContact CD1-CE 4.08Å; F105-M118 HydrophobicContact CD1-CG 4.02Å; F105-M118 HydrophobicContact CD1-SD 4.13Å; F105-M118 HydrophobicContact CD2-CG 4.39Å; F105-M118 HydrophobicContact CE1-CB 4.29Å; F105-M118 HydrophobicContact CE1-CG 4.01Å; F105-M118 HydrophobicContact CE1-SD 4.13Å; F105-M118 HydrophobicContact CE2-CB 4.29Å; F105-M118 HydrophobicContact CE2-CG 4.39Å; F105-M118 HydrophobicContact CG-CG 4.22Å; F105-M118 HydrophobicContact CZ-CB 4.05Å; F105-M118 HydrophobicContact CZ-CG 4.2Å; V116-M118 HydrophobicContact CB-CE 4.01Å; V116-M118 HydrophobicContact CG1-CE 3.72Å; V116-M118 HydrophobicContact CG1-SD 4.2Å; M118-E130 WeakPolarHBondContact O-CA 3.36Å; M118-I131 HydrophobicContact CB-CB 4.29Å; M118-I131 HydrophobicContact CB-CD1 4.26Å; M118-I131 PolarHBondContact O-N 2.99Å; M118-F158 HydrophobicContact CB-CD2 4.06Å; M118-F158 HydrophobicContact CB-CE2 4.25Å; M118-F158 HydrophobicContact CE-CB 3.63Å; M118-F158 HydrophobicContact CE-CG 4.38Å; M118-F158 HydrophobicContact CG-CB 4.13Å; M118-F158 HydrophobicContact CG-CD2 3.37Å; M118-F158 HydrophobicContact CG-CE2 4Å; M118-F158 HydrophobicContact CG-CG 3.95Å; M118-G160 VanDerWaalsContact CE-O 3.27Å; M118-G160 WeakPolarHBondContact CE-O 3.42Å; M118-F217 CarbonylContact C-O 3.59Å; M118-F217 HydrophobicContact CE-CD2 4.16Å; M118-F217 HydrophobicContact SD-CB 3.95Å; M118-F217 HydrophobicContact SD-CD2 3.93Å; M118-F217 HydrophobicContact SD-CG 4.42Å; M118-F219 HydrophobicContact CB-CE2 4.32Å; M118-F219 HydrophobicContact SD-CE2 3.68Å; M118-F219 HydrophobicContact SD-CZ 3.97Å
119	F	98.3	Very high	94.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.2	178.6	-60.7	-98.2	0	0	0	110.3	R117 R129 E130 A216 F217 W218 F219	R117-F119 HydrophobicContact CB-CE2 3.73Å; R117-F119 HydrophobicContact CB-CZ 4.31Å; R117-F119 VanDerWaalsContact CZ-CZ 3.48Å; F119-R129 CarbonylContact C-O 3.53Å; F119-R129 VanDerWaalsContact CA-O 3.25Å; F119-R129 WeakPolarHBondContact CA-O 3.43Å; F119-E130 VanDerWaalsContact CD1-CA 3.48Å; F119-E130 HydrophobicContact CD1-CB 3.77Å; F119-E130 HydrophobicContact CD1-CG 4.36Å; F119-E130 HydrophobicContact CE1-CB 3.59Å; F119-E130 HydrophobicContact CE1-CG 4.04Å; F119-E130 HydrophobicContact CZ-CB 4.35Å; F119-E130 HydrophobicContact CZ-CG 4.31Å; F119-A216 HydrophobicContact CE2-CB 4.2Å; F119-F217 WeakPolarHBondContact CD2-O 3.41Å; F119-F217 PolarHBondContact N-O 3.18Å; F119-W218 HydrophobicContact CB-CB 4.35Å; F119-W218 HydrophobicContact CB-CG 3.84Å; F119-W218 AromaticContact CD1-NE1 3.85Å; F119-W218 AromaticContact CD2-CD1 3.88Å; F119-W218 AromaticContact CD2-CD2 3.89Å; F119-W218 HydrophobicContact CD2-CD2 3.89Å; F119-W218 AromaticContact CD2-CE2 3.51Å; F119-W218 HydrophobicContact CD2-CG 4.1Å; F119-W218 AromaticContact CD2-CZ2 3.97Å; F119-W218 HydrophobicContact CD2-CZ2 3.97Å; F119-W218 AromaticContact CD2-NE1 3.5Å; F119-W218 HydrophobicContact CE2-CD2 4.45Å; F119-W218 AromaticContact CE2-CE2 3.73Å; F119-W218 HydrophobicContact CE2-CH2 4.36Å; F119-W218 AromaticContact CE2-CZ2 3.69Å; F119-W218 HydrophobicContact CE2-CZ2 3.69Å; F119-W218 AromaticContact CE2-NE1 3.94Å; F119-W218 AromaticContact CG-CD1 3.61Å; F119-W218 HydrophobicContact CG-CD2 4.4Å; F119-W218 AromaticContact CG-CE2 3.98Å; F119-W218 HydrophobicContact CG-CG 4.18Å; F119-W218 AromaticContact CG-NE1 3.44Å; F119-W218 HydrophobicContact CZ-CZ2 4.21Å; F119-W218 CarbonylContact O-C 3.51Å; F119-W218 WeakPolarHBondContact O-CA 3.49Å; F119-F219 WeakPolarHBondContact O-CD2 3.36Å; F119-F219 PolarHBondContact O-N 3Å
120	S	98.1	Very high	94.8	Very high	3 Å²	3	44 Å²	44	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.4	164.1	177.8	0	0	0	0	108.5	A128 R129 T221	S120-A128 CarbonylContact O-C 3.49Å; S120-A128 WeakPolarHBondContact O-CA 3.38Å; S120-R129 PolarHBondContact N-O 3.42Å; S120-R129 PolarHBondContact O-N 2.84Å; S120-T221 PolarHBondContact OG-OG1 3.19Å
121	V	98.2	Very high	95.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.5	175.4	-174.2	0	0	0	0	108.6	F45 P123 L127 A128 W218 F219 D220 T221	F45-V121 HydrophobicContact CD1-CG1 4.21Å; F45-V121 HydrophobicContact CD1-CG2 3.74Å; F45-V121 HydrophobicContact CE1-CG2 4.22Å; F45-V121 HydrophobicContact CG-CG2 4.47Å; V121-P123 WeakPolarHBondContact O-CD 3.24Å; V121-L127 WeakPolarHBondContact CA-O 3.23Å; V121-A128 HydrophobicContact CG2-CB 3.95Å; V121-W218 HydrophobicContact CG2-CB 3.75Å; V121-W218 HydrophobicContact CG2-CG 4.38Å; V121-F219 PolarHBondContact N-O 2.85Å; V121-D220 WeakPolarHBondContact CG1-OD1 3.26Å; V121-T221 PolarHBondContact O-N 3.05Å; V121-T221 PolarHBondContact O-OG1 3.36Å
122	D	95.8	Very high	95.5	Very high	44 Å²	44	44 Å²	44	24%	0.235	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.4	164.2	172.2	5.8	0	0	0	108.8	A124 T125 H126 L127	D122-A124 PolarHBondContact O-N 2.56Å; D122-A124 WeakPolarHBondContact OD1-CB 3.32Å; D122-A124 PolarHBondContact OD1-N 3Å; D122-T125 WeakPolarHBondContact CB-OG1 3.27Å; D122-T125 PolarHBondContact O-N 3.03Å; D122-T125 WeakPolarHBondContact OD2-CB 3.31Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.49Å; D122-T125 PolarHBondContact OD2-OG1 3.11Å; D122-H126 WeakPolarHBondContact O-CA 3.11Å; D122-H126 PolarHBondContact O-N 2.72Å; D122-L127 PolarHBondContact N-O 2.81Å
123	P	93.7	Very high	95.6	Very high	52 Å²	52	44.8 Å²	44.8	34%	0.338	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.9	-177	29.3	-35.9	0	0	0	113.6	V121 D220	V121-P123 WeakPolarHBondContact O-CD 3.24Å; P123-D220 HydrophobicContact CB-CB 4.49Å
124	A	94.1	Very high	95.6	Very high	85 Å²	85	42.1 Å²	42.1	70%	0.702	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-36.7	177.5	0	0	0	0	0	112.3	D122	D122-A124 PolarHBondContact O-N 2.56Å; D122-A124 WeakPolarHBondContact OD1-CB 3.32Å; D122-A124 PolarHBondContact OD1-N 3Å
125	T	96.1	Very high	95.6	Very high	69 Å²	69	41 Å²	41	42%	0.423	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-13.7	-177.1	60.5	0	0	0	0	113.7	D122 L127	D122-T125 WeakPolarHBondContact CB-OG1 3.27Å; D122-T125 PolarHBondContact O-N 3.03Å; D122-T125 WeakPolarHBondContact OD2-CB 3.31Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.49Å; D122-T125 PolarHBondContact OD2-OG1 3.11Å; T125-L127 PolarHBondContact O-N 2.94Å
126	H	96.2	Very high	95.6	Very high	92 Å²	92	42.8 Å²	42.8	43%	0.426	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	33.3	-172.7	-60.2	-70.9	0	0	0	112.8	R44 F45 D122	R44-H126 WeakPolarHBondContact CA-O 3.46Å; F45-H126 PolarHBondContact N-O 3.03Å; F45-H126 WeakPolarHBondContact O-CB 3.46Å; D122-H126 WeakPolarHBondContact O-CA 3.11Å; D122-H126 PolarHBondContact O-N 2.72Å
127	L	97.7	Very high	95.5	Very high	71 Å²	71	42.5 Å²	42.5	37%	0.372	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.8	176.8	-65	-178.8	0	0	0	109.3	T42 Q43 V121 D122 T125	T42-L127 HydrophobicContact CG2-CB 3.67Å; T42-L127 HydrophobicContact CG2-CD1 3.78Å; T42-L127 HydrophobicContact CG2-CD2 3.8Å; T42-L127 HydrophobicContact CG2-CG 3.93Å; Q43-L127 WeakPolarHBondContact O-CA 3.36Å; V121-L127 WeakPolarHBondContact CA-O 3.23Å; D122-L127 PolarHBondContact N-O 2.81Å; T125-L127 PolarHBondContact O-N 2.94Å
128	A	98.2	Very high	95.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.7	176.9	0	0	0	0	0	111.1	T42 Q43 F45 S120 V121	T42-A128 WeakPolarHBondContact CA-O 3.34Å; Q43-A128 HydrophobicContact CG-CB 4.11Å; Q43-A128 PolarHBondContact N-O 3.39Å; Q43-A128 PolarHBondContact O-N 3.11Å; F45-A128 HydrophobicContact CB-CB 3.6Å; F45-A128 HydrophobicContact CG-CB 4.24Å; S120-A128 CarbonylContact O-C 3.49Å; S120-A128 WeakPolarHBondContact O-CA 3.38Å; V121-A128 HydrophobicContact CG2-CB 3.95Å
129	R	97.6	Very high	95.2	Very high	64 Å²	64	43 Å²	43	24%	0.242	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.1	173.4	-66.6	178.1	69.6	-165.6	-6	109.8	D34 A38 G40 F119 S120	D34-R129 WeakPolarHBondContact OD2-CD 3.42Å; D34-R129 IonicContact OD2-CZ 3.01Å; D34-R129 IonicContact OD2-NH1 2.69Å; D34-R129 PolarHBondContact OD2-NH1 3.22Å; A38-R129 HydrophobicContact CB-CB 3.97Å; A38-R129 PolarHBondContact O-NH2 2.77Å; G40-R129 PolarHBondContact O-NE 3.4Å; G40-R129 VanDerWaalsContact O-NE 3.09Å; F119-R129 CarbonylContact C-O 3.53Å; F119-R129 VanDerWaalsContact CA-O 3.25Å; F119-R129 WeakPolarHBondContact CA-O 3.43Å; S120-R129 PolarHBondContact N-O 3.42Å; S120-R129 PolarHBondContact O-N 2.84Å
130	E	96.9	Very high	94.9	Very high	19 Å²	19	43.9 Å²	43.9	9%	0.089	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	141.2	175.7	-170.5	163.1	-175.6	0	0	109.8	D39 G40 R115 R117 M118 F119 H132	D39-E130 PolarHBondContact N-O 3.41Å; D39-E130 VanDerWaalsContact N-O 3.13Å; G40-E130 PolarHBondContact N-O 3.42Å; R115-E130 IonicContact NH2-OE1 2.75Å; R115-E130 PolarHBondContact NH2-OE1 2.93Å; R117-E130 IonicContact CZ-OE1 2.87Å; R117-E130 IonicContact CZ-OE2 3Å; R117-E130 IonicContact NE-OE1 2.98Å; R117-E130 PolarHBondContact NE-OE1 2.98Å; R117-E130 IonicContact NE-OE2 3.21Å; R117-E130 PolarHBondContact NE-OE2 3.16Å; R117-E130 IonicContact NH2-OE1 3.11Å; R117-E130 IonicContact NH2-OE2 3.91Å; R117-E130 PolarHBondContact NH2-OE2 3.07Å; M118-E130 WeakPolarHBondContact O-CA 3.36Å; F119-E130 VanDerWaalsContact CD1-CA 3.48Å; F119-E130 HydrophobicContact CD1-CB 3.77Å; F119-E130 HydrophobicContact CD1-CG 4.36Å; F119-E130 HydrophobicContact CE1-CB 3.59Å; F119-E130 HydrophobicContact CE1-CG 4.04Å; F119-E130 HydrophobicContact CZ-CB 4.35Å; F119-E130 HydrophobicContact CZ-CG 4.31Å; E130-H132 IonicContact OE2-NE2 3.88Å
131	I	95.6	Very high	94.6	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	107.2	167.5	-58.6	158.6	0	0	0	105	I37 A38 L92 F105 M118 F158	I37-I131 HydrophobicContact CB-CG2 4.37Å; I37-I131 HydrophobicContact CD1-CD1 4.11Å; I37-I131 HydrophobicContact CD1-CG1 4.41Å; I37-I131 HydrophobicContact CD1-CG2 3.82Å; I37-I131 HydrophobicContact CG1-CD1 4.45Å; I37-I131 HydrophobicContact CG1-CG1 4.38Å; I37-I131 HydrophobicContact CG1-CG2 4.12Å; A38-I131 HydrophobicContact CB-CG1 3.78Å; L92-I131 HydrophobicContact CD1-CD1 3.46Å; L92-I131 VanDerWaalsContact CD1-CD1 3.46Å; F105-I131 HydrophobicContact CE2-CD1 3.83Å; F105-I131 HydrophobicContact CE2-CG2 4.13Å; F105-I131 HydrophobicContact CZ-CD1 3.79Å; M118-I131 HydrophobicContact CB-CB 4.29Å; M118-I131 HydrophobicContact CB-CD1 4.26Å; M118-I131 PolarHBondContact O-N 2.99Å; I131-F158 HydrophobicContact CG2-CE2 4.13Å; I131-F158 HydrophobicContact CG2-CZ 4.09Å; I131-F158 WeakPolarHBondContact O-CE2 3.43Å
132	H	93.9	Very high	94.1	Very high	69 Å²	69	55.4 Å²	55.4	32%	0.319	29%	0.288	S	S	.	.			trans	-73.2	144.8	175.3	-65.6	88.8	0	0	0	110.5	D39 E130 R134	D39-H132 WeakPolarHBondContact OD1-CB 3.45Å; D39-H132 IonicContact OD1-CE1 3.8Å; D39-H132 IonicContact OD1-CG 3.79Å; D39-H132 PolarHBondContact OD1-N 3.11Å; D39-H132 IonicContact OD1-ND1 3.94Å; D39-H132 PolarHBondContact OD1-ND1 2.98Å; D39-H132 IonicContact OD2-CG 2.91Å; D39-H132 IonicContact OD2-ND1 3.21Å; E130-H132 IonicContact OE2-NE2 3.88Å; H132-R134 PolarHBondContact O-N 3.24Å; H132-R134 PolarHBondContact O-NH1 3.37Å
133	F	93.2	Very high	93.8	Very high	26 Å²	26	53.8 Å²	53.8	11%	0.114	28%	0.281	C	S	.	.			trans	-66.2	131.2	168.7	168.1	-95.2	0	0	0	109.4	H107 P135 F138 L150 L156 F158	H107-F133 AromaticContact CD2-CE2 3.55Å; H107-F133 AromaticContact CD2-CZ 3.99Å; H107-F133 AromaticContact NE2-CE2 3.31Å; H107-F133 VanDerWaalsContact NE2-CE2 3.31Å; H107-F133 WeakPolarHBondContact NE2-CE2 2.97Å; H107-F133 AromaticContact NE2-CZ 3.26Å; H107-F133 VanDerWaalsContact NE2-CZ 3.26Å; H107-F133 WeakPolarHBondContact NE2-CZ 3.44Å; F133-P135 HydrophobicContact CE1-CG 4.42Å; F133-F138 AromaticContact CD2-CE2 3.83Å; F133-F138 HydrophobicContact CD2-CE2 3.83Å; F133-F138 AromaticContact CE2-CD2 3.91Å; F133-F138 HydrophobicContact CE2-CD2 3.91Å; F133-F138 AromaticContact CE2-CE2 3.57Å; F133-F138 HydrophobicContact CE2-CE2 3.57Å; F133-F138 HydrophobicContact CE2-CZ 4.48Å; F133-L150 HydrophobicContact CZ-CD1 4.44Å; F133-L156 HydrophobicContact CD1-CB 3.97Å; F133-L156 HydrophobicContact CE1-CB 3.96Å; F133-L156 HydrophobicContact CE1-CD1 4.45Å; F133-F158 HydrophobicContact CB-CE2 4.36Å; F133-F158 HydrophobicContact CB-CZ 4.29Å; F133-F158 HydrophobicContact CD2-CD1 4.41Å; F133-F158 HydrophobicContact CD2-CE1 4.17Å
134	R	90.7	Very high	93.5	Very high	48 Å²	48	54.6 Å²	54.6	18%	0.181	30%	0.299	C	S	.	.			trans	-142.7	136.7	173.3	-51.2	177	-68.1	-82.6	-5.6	108.6	I37 D39 H132 E136 L137	I37-R134 PolarHBondContact O-NH1 3.25Å; I37-R134 PolarHBondContact O-NH2 3.37Å; D39-R134 IonicContact OD1-NH1 2.78Å; D39-R134 PolarHBondContact OD1-NH1 3.15Å; D39-R134 VanDerWaalsContact OD1-NH1 3.09Å; D39-R134 IonicContact OD2-CZ 3.39Å; D39-R134 IonicContact OD2-NH1 3.98Å; D39-R134 PolarHBondContact OD2-NH1 3.35Å; H132-R134 PolarHBondContact O-N 3.24Å; H132-R134 PolarHBondContact O-NH1 3.37Å; R134-E136 HydrophobicContact CB-CG 4.34Å; R134-E136 WeakPolarHBondContact CB-OE1 3.3Å; R134-E136 WeakPolarHBondContact CB-OE2 3.33Å; R134-E136 WeakPolarHBondContact CD-OE1 3.23Å; R134-E136 IonicContact NE-OE1 2.79Å; R134-E136 PolarHBondContact NE-OE1 2.91Å; R134-E136 PolarHBondContact O-N 3.44Å; R134-E136 VanDerWaalsContact O-N 3.12Å; R134-L137 WeakPolarHBondContact O-CB 3.16Å; R134-L137 PolarHBondContact O-N 3.07Å
135	P	91.2	Very high	93.1	Very high	28 Å²	28	51.3 Å²	51.3	18%	0.182	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54.9	-32.2	-175.4	-28.2	36	0	0	0	114.1	F133 L137 F138 Y140 T147 L150	F133-P135 HydrophobicContact CE1-CG 4.42Å; P135-L137 PolarHBondContact O-N 2.86Å; P135-L137 VanDerWaalsContact O-N 3.17Å; P135-F138 PolarHBondContact O-N 2.88Å; P135-Y140 HydrophobicContact CB-CE2 4.12Å; P135-Y140 WeakPolarHBondContact O-CE2 3.36Å; P135-T147 HydrophobicContact CB-CG2 4.3Å; P135-L150 HydrophobicContact CG-CB 4.06Å; P135-L150 HydrophobicContact CG-CD1 4.48Å
136	E	91.4	Very high	92.5	Very high	114 Å²	114	51.6 Å²	51.6	53%	0.533	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-66.8	-10.6	179.5	69.4	-87.3	-162.5	0	0	114.9	R134 F138	R134-E136 HydrophobicContact CB-CG 4.34Å; R134-E136 WeakPolarHBondContact CB-OE1 3.3Å; R134-E136 WeakPolarHBondContact CB-OE2 3.33Å; R134-E136 WeakPolarHBondContact CD-OE1 3.23Å; R134-E136 IonicContact NE-OE1 2.79Å; R134-E136 PolarHBondContact NE-OE1 2.91Å; R134-E136 PolarHBondContact O-N 3.44Å; R134-E136 VanDerWaalsContact O-N 3.12Å; E136-F138 PolarHBondContact O-N 2.99Å
137	L	93.8	Very high	92	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-73.6	-7.8	169.8	-61.9	178.2	0	0	0	112.2	I37 Y86 D87 K90 R134 P135 F158	I37-L137 HydrophobicContact CB-CD2 4.28Å; I37-L137 HydrophobicContact CG2-CD2 3.81Å; Y86-L137 HydrophobicContact CE2-CB 4.02Å; D87-L137 PolarHBondContact N-O 2.79Å; K90-L137 HydrophobicContact CB-CD2 3.87Å; K90-L137 HydrophobicContact CG-CD2 4.27Å; R134-L137 WeakPolarHBondContact O-CB 3.16Å; R134-L137 PolarHBondContact O-N 3.07Å; P135-L137 PolarHBondContact O-N 2.86Å; P135-L137 VanDerWaalsContact O-N 3.17Å; L137-F158 HydrophobicContact CD1-CE1 4.08Å; L137-F158 HydrophobicContact CD1-CZ 3.73Å
138	F	94.3	Very high	91.3	Very high	15 Å²	15	53.5 Å²	53.5	7%	0.066	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.3	-175.3	-63	-92.6	0	0	0	112.2	I84 Q85 Y86 F105 H107 F133 P135 E136 Y140 F158	I84-F138 HydrophobicContact CG2-CB 4.24Å; I84-F138 HydrophobicContact CG2-CD1 3.84Å; I84-F138 HydrophobicContact CG2-CG 4.35Å; Q85-F138 CarbonylContact O-C 3.55Å; Q85-F138 WeakPolarHBondContact O-CA 3.46Å; Y86-F138 HydrophobicContact CD2-CD1 4.11Å; Y86-F138 AromaticContact CD2-CE1 3.59Å; Y86-F138 HydrophobicContact CD2-CE1 3.59Å; Y86-F138 HydrophobicContact CD2-CE2 4.27Å; Y86-F138 AromaticContact CD2-CZ 3.68Å; Y86-F138 HydrophobicContact CD2-CZ 3.68Å; Y86-F138 HydrophobicContact CE2-CE1 4.42Å; Y86-F138 HydrophobicContact CE2-CE2 4.36Å; Y86-F138 HydrophobicContact CE2-CZ 4.07Å; Y86-F138 HydrophobicContact CG-CE1 4.39Å; F105-F138 WeakPolarHBondContact O-CE1 3.18Å; H107-F138 HydrophobicContact CB-CD1 4.14Å; H107-F138 HydrophobicContact CB-CE1 3.7Å; H107-F138 HydrophobicContact CB-CZ 4.05Å; H107-F138 AromaticContact CD2-CD1 3.99Å; H107-F138 AromaticContact CD2-CD2 3.76Å; H107-F138 AromaticContact CD2-CE2 3.83Å; H107-F138 AromaticContact CD2-CG 3.84Å; H107-F138 AromaticContact CD2-CZ 3.96Å; F133-F138 AromaticContact CD2-CE2 3.83Å; F133-F138 HydrophobicContact CD2-CE2 3.83Å; F133-F138 AromaticContact CE2-CD2 3.91Å; F133-F138 HydrophobicContact CE2-CD2 3.91Å; F133-F138 AromaticContact CE2-CE2 3.57Å; F133-F138 HydrophobicContact CE2-CE2 3.57Å; F133-F138 HydrophobicContact CE2-CZ 4.48Å; P135-F138 PolarHBondContact O-N 2.88Å; E136-F138 PolarHBondContact O-N 2.99Å; F138-Y140 HydrophobicContact CB-CD2 4.45Å; F138-Y140 HydrophobicContact CB-CE2 3.93Å; F138-F158 HydrophobicContact CE2-CD1 4.2Å; F138-F158 AromaticContact CE2-CE1 3.82Å; F138-F158 HydrophobicContact CE2-CE1 3.82Å; F138-F158 AromaticContact CZ-CD1 3.9Å; F138-F158 HydrophobicContact CZ-CD1 3.9Å; F138-F158 AromaticContact CZ-CE1 3.9Å; F138-F158 HydrophobicContact CZ-CE1 3.9Å
139	K	94.1	Very high	90.5	Very high	97 Å²	97	57.9 Å²	57.9	42%	0.422	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.5	164.4	-62.2	176.3	-176.4	160.8	0	107.2	Q85 D87	Q85-K139 PolarHBondContact N-O 2.82Å; Q85-K139 PolarHBondContact O-N 2.83Å; D87-K139 VanDerWaalsContact CG-CE 3.44Å; D87-K139 WeakPolarHBondContact OD1-CE 3.32Å; D87-K139 IonicContact OD1-NZ 3.91Å; D87-K139 PolarHBondContact OD1-NZ 2.92Å
140	Y	92.9	Very high	89.9	Confident	22 Å²	22	55 Å²	55	9%	0.086	29%	0.288	C	S	.	.			trans	-81.3	-16.5	-177.6	-67.9	-90	0	0	0	113.4	I84 H107 P135 F138 D142 A143 V145 T147 L150	I84-Y140 HydrophobicContact CD1-CD1 4.14Å; I84-Y140 HydrophobicContact CD1-CE1 4.37Å; I84-Y140 HydrophobicContact CG1-CD1 4.11Å; I84-Y140 HydrophobicContact CG2-CD1 4.27Å; I84-Y140 HydrophobicContact CG2-CE1 4.39Å; H107-Y140 AromaticContact NE2-CE1 3.69Å; H107-Y140 AromaticContact NE2-CZ 3.79Å; H107-Y140 PolarHBondContact NE2-OH 3.35Å; H107-Y140 VanDerWaalsContact NE2-OH 3.08Å; P135-Y140 HydrophobicContact CB-CE2 4.12Å; P135-Y140 WeakPolarHBondContact O-CE2 3.36Å; F138-Y140 HydrophobicContact CB-CD2 4.45Å; F138-Y140 HydrophobicContact CB-CE2 3.93Å; Y140-D142 PolarHBondContact O-N 3.19Å; Y140-A143 WeakPolarHBondContact O-CB 3.3Å; Y140-A143 PolarHBondContact O-N 3.14Å; Y140-V145 HydrophobicContact CD1-CB 3.6Å; Y140-V145 HydrophobicContact CD1-CG1 3.75Å; Y140-V145 HydrophobicContact CD1-CG2 3.97Å; Y140-V145 HydrophobicContact CE1-CB 4.16Å; Y140-V145 HydrophobicContact CE1-CG1 3.78Å; Y140-V145 HydrophobicContact CE1-CG2 4.49Å; Y140-V145 HydrophobicContact CG-CB 4.29Å; Y140-T147 HydrophobicContact CD2-CG2 3.4Å; Y140-T147 HydrophobicContact CE2-CG2 3.35Å; Y140-T147 HydrophobicContact CG-CG2 4.06Å; Y140-L150 HydrophobicContact CE1-CD1 3.97Å; Y140-L150 VanDerWaalsContact OH-CD1 3.25Å; Y140-L150 WeakPolarHBondContact OH-CD1 3.5Å
141	N	92	Very high	89	Confident	90 Å²	90	60.6 Å²	60.6	48%	0.481	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	-131.6	177	-56.5	-42.1	0	0	0	111.2	S83 A143	S83-N141 WeakPolarHBondContact O-CB 3.43Å; S83-N141 PolarHBondContact O-ND2 2.68Å; N141-A143 VanDerWaalsContact C-N 3.27Å; N141-A143 PolarHBondContact O-N 3.03Å
142	D	87.7	Confident	87.9	Confident	154 Å²	154	64.6 Å²	64.6	82%	0.824	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	19.5	179	-57	-38.4	0	0	0	113.6	Y140 G144	Y140-D142 PolarHBondContact O-N 3.19Å; D142-G144 PolarHBondContact O-N 3.08Å; D142-G144 VanDerWaalsContact O-N 3.15Å
143	A	89.2	Confident	87	Confident	10 Å²	10	64.1 Å²	64.1	8%	0.083	35%	0.353	C	S	.	.	S	Bend	trans	-66.5	-13.5	-180	0	0	0	0	0	113.5	A80 I84 Y140 N141 V145	A80-A143 VanDerWaalsContact O-CB 3.24Å; A80-A143 WeakPolarHBondContact O-CB 3.45Å; I84-A143 HydrophobicContact CD1-CB 4.25Å; I84-A143 HydrophobicContact CG1-CB 3.55Å; Y140-A143 WeakPolarHBondContact O-CB 3.3Å; Y140-A143 PolarHBondContact O-N 3.14Å; N141-A143 VanDerWaalsContact C-N 3.27Å; N141-A143 PolarHBondContact O-N 3.03Å; A143-V145 HydrophobicContact CB-CG2 4.04Å; A143-V145 PolarHBondContact O-N 2.75Å
144	G	86.3	Confident	85.8	Confident	69 Å²	69	67.8 Å²	67.8	71%	0.711	38%	0.381	S	S	*	.			trans	70.3	19.7	-179.3	0	0	0	0	0	114	D142	D142-G144 PolarHBondContact O-N 3.08Å; D142-G144 VanDerWaalsContact O-N 3.15Å
145	V	87.2	Confident	84.8	Confident	17 Å²	17	68.9 Å²	68.9	10%	0.103	39%	0.391	C	S	.	.			trans	-85.5	117.5	178.1	179.6	0	0	0	0	109.6	L73 M76 I84 Y140 A143 T147 L150	L73-V145 HydrophobicContact CD2-CG1 4.24Å; L73-V145 HydrophobicContact CD2-CG2 4.2Å; M76-V145 HydrophobicContact SD-CG2 3.99Å; I84-V145 HydrophobicContact CD1-CG2 4.2Å; Y140-V145 HydrophobicContact CD1-CB 3.6Å; Y140-V145 HydrophobicContact CD1-CG1 3.75Å; Y140-V145 HydrophobicContact CD1-CG2 3.97Å; Y140-V145 HydrophobicContact CE1-CB 4.16Å; Y140-V145 HydrophobicContact CE1-CG1 3.78Å; Y140-V145 HydrophobicContact CE1-CG2 4.49Å; Y140-V145 HydrophobicContact CG-CB 4.29Å; A143-V145 HydrophobicContact CB-CG2 4.04Å; A143-V145 PolarHBondContact O-N 2.75Å; V145-T147 PolarHBondContact O-N 2.67Å; V145-L150 HydrophobicContact CG1-CD1 3.93Å; V145-L150 HydrophobicContact CG1-CD2 4.48Å; V145-L150 HydrophobicContact CG1-CG 4.39Å
146	D	83.7	Confident	84.4	Confident	74 Å²	74	67.8 Å²	67.8	40%	0.396	38%	0.384	S	S	.	.			trans	-77.9	105.6	167	178.1	9.2	0	0	0	109.2	K148 Q149	D146-K148 PolarHBondContact O-N 3.05Å; D146-K148 WeakPolarHBondContact OD1-CB 3.41Å; D146-K148 PolarHBondContact OD1-N 3.17Å; D146-K148 VanDerWaalsContact OD1-N 3.15Å; D146-Q149 HydrophobicContact CB-CG 4.09Å; D146-Q149 WeakPolarHBondContact O-CB 3.13Å; D146-Q149 PolarHBondContact O-N 3.12Å
147	T	84.9	Confident	84.1	Confident	53 Å²	53	62.4 Å²	62.4	33%	0.325	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-63.5	-22.6	-175.9	54	0	0	0	0	113.3	P135 Y140 V145 Q149 L150 E151	P135-T147 HydrophobicContact CB-CG2 4.3Å; Y140-T147 HydrophobicContact CD2-CG2 3.4Å; Y140-T147 HydrophobicContact CE2-CG2 3.35Å; Y140-T147 HydrophobicContact CG-CG2 4.06Å; V145-T147 PolarHBondContact O-N 2.67Å; T147-Q149 PolarHBondContact O-N 3.49Å; T147-L150 WeakPolarHBondContact O-CB 3.42Å; T147-L150 PolarHBondContact O-N 2.89Å; T147-E151 PolarHBondContact O-N 2.86Å
148	K	83.4	Confident	84.2	Confident	151 Å²	151	62.4 Å²	62.4	66%	0.657	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-61.3	-28.4	174.2	-64.8	-179.6	179.6	177.7	0	112.2	D146 L150 E151	D146-K148 PolarHBondContact O-N 3.05Å; D146-K148 WeakPolarHBondContact OD1-CB 3.41Å; D146-K148 PolarHBondContact OD1-N 3.17Å; D146-K148 VanDerWaalsContact OD1-N 3.15Å; K148-L150 PolarHBondContact O-N 2.81Å; K148-E151 PolarHBondContact O-N 2.81Å
149	Q	82.1	Confident	84.2	Confident	91 Å²	91	62 Å²	62	43%	0.425	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-70.9	-18.2	175.9	-59.4	-177	11.2	0	0	112.3	T72 D146 T147 Q153	T72-Q149 HydrophobicContact CG2-CB 4.49Å; T72-Q149 VanDerWaalsContact CG2-OE1 3.29Å; D146-Q149 HydrophobicContact CB-CG 4.09Å; D146-Q149 WeakPolarHBondContact O-CB 3.13Å; D146-Q149 PolarHBondContact O-N 3.12Å; T147-Q149 PolarHBondContact O-N 3.49Å; Q149-Q153 PolarHBondContact O-NE2 3.44Å
150	L	84.2	Confident	84.4	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.8	179.8	-45.7	-177.4	0	0	0	111.9	T72 L73 F133 P135 Y140 V145 T147 K148 G152 Q153 L156	T72-L150 HydrophobicContact CG2-CD2 4.43Å; L73-L150 HydrophobicContact CD1-CD2 3.94Å; L73-L150 HydrophobicContact CD2-CD2 4.42Å; L73-L150 HydrophobicContact CG-CD2 4.18Å; F133-L150 HydrophobicContact CZ-CD1 4.44Å; P135-L150 HydrophobicContact CG-CB 4.06Å; P135-L150 HydrophobicContact CG-CD1 4.48Å; Y140-L150 HydrophobicContact CE1-CD1 3.97Å; Y140-L150 VanDerWaalsContact OH-CD1 3.25Å; Y140-L150 WeakPolarHBondContact OH-CD1 3.5Å; V145-L150 HydrophobicContact CG1-CD1 3.93Å; V145-L150 HydrophobicContact CG1-CD2 4.48Å; V145-L150 HydrophobicContact CG1-CG 4.39Å; T147-L150 WeakPolarHBondContact O-CB 3.42Å; T147-L150 PolarHBondContact O-N 2.89Å; K148-L150 PolarHBondContact O-N 2.81Å; L150-G152 PolarHBondContact O-N 2.95Å; L150-Q153 PolarHBondContact O-N 2.79Å; L150-L156 HydrophobicContact CB-CD1 3.95Å; L150-L156 HydrophobicContact CD2-CD1 3.62Å; L150-L156 HydrophobicContact CG-CD1 4.31Å
151	E	77.1	Confident	84.7	Confident	136 Å²	136	56.3 Å²	56.3	64%	0.636	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	134.2	177.9	-68.1	177.5	-173.4	0	0	111.1	T147 K148 Q153	T147-E151 PolarHBondContact O-N 2.86Å; K148-E151 PolarHBondContact O-N 2.81Å; E151-Q153 PolarHBondContact O-N 3.24Å; E151-Q153 VanDerWaalsContact O-N 3.17Å
152	G	73.6	Confident	85	Confident	84 Å²	84	54 Å²	54	87%	0.866	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-5.8	-179.8	0	0	0	0	0	115.6	L150 S154	L150-G152 PolarHBondContact O-N 2.95Å; G152-S154 PolarHBondContact O-N 2.82Å
153	Q	73.8	Confident	85.5	Confident	60 Å²	60	46.6 Å²	46.6	28%	0.28	28%	0.279	S	S	.	.			trans	-80.2	84	176.3	-61.7	-153.3	32.7	0	0	111.7	P70 Q149 L150 E151 D155 L156	P70-Q153 VanDerWaalsContact CG-NE2 3.34Å; Q149-Q153 PolarHBondContact O-NE2 3.44Å; L150-Q153 PolarHBondContact O-N 2.79Å; E151-Q153 PolarHBondContact O-N 3.24Å; E151-Q153 VanDerWaalsContact O-N 3.17Å; Q153-D155 PolarHBondContact O-N 3.44Å; Q153-D155 VanDerWaalsContact O-N 3.16Å; Q153-L156 HydrophobicContact CB-CB 4.34Å; Q153-L156 HydrophobicContact CB-CD1 3.64Å; Q153-L156 HydrophobicContact CB-CG 3.7Å; Q153-L156 HydrophobicContact CG-CD1 4.2Å; Q153-L156 PolarHBondContact O-N 3.34Å
154	S	68.8	Low	86	Confident	102 Å²	102	46.2 Å²	46.2	71%	0.713	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-13	-179.4	63.2	0	0	0	0	115.1	R115 G152	R115-S154 PolarHBondContact NH1-O 3.06Å; G152-S154 PolarHBondContact O-N 2.82Å
155	D	70.2	Confident	86.5	Confident	71 Å²	71	44.4 Å²	44.4	38%	0.38	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-10.6	177.7	62.7	-30	0	0	0	114	Q153	Q153-D155 PolarHBondContact O-N 3.44Å; Q153-D155 VanDerWaalsContact O-N 3.16Å
156	L	82.2	Confident	87	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	25%	0.251	C	S	.	.			trans	-67.8	155.7	164.7	-66.4	-178.8	0	0	0	110.6	L69 P70 L73 F133 L150 Q153	L69-L156 HydrophobicContact CD2-CD2 4.22Å; P70-L156 HydrophobicContact CG-CD2 4.27Å; L73-L156 HydrophobicContact CD1-CD1 4.25Å; L73-L156 HydrophobicContact CD1-CD2 3.78Å; F133-L156 HydrophobicContact CD1-CB 3.97Å; F133-L156 HydrophobicContact CE1-CB 3.96Å; F133-L156 HydrophobicContact CE1-CD1 4.45Å; L150-L156 HydrophobicContact CB-CD1 3.95Å; L150-L156 HydrophobicContact CD2-CD1 3.62Å; L150-L156 HydrophobicContact CG-CD1 4.31Å; Q153-L156 HydrophobicContact CB-CB 4.34Å; Q153-L156 HydrophobicContact CB-CD1 3.64Å; Q153-L156 HydrophobicContact CB-CG 3.7Å; Q153-L156 HydrophobicContact CG-CD1 4.2Å; Q153-L156 PolarHBondContact O-N 3.34Å
157	G	85.3	Confident	87.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.			trans	-171.1	-168.3	-168.8	0	0	0	0	0	114.4	M108	M108-G157 VanDerWaalsContact CG-O 3.22Å; M108-G157 WeakPolarHBondContact CG-O 3.12Å; M108-G157 PolarHBondContact N-O 3.16Å; M108-G157 PolarHBondContact SD-N 3.22Å
158	F	95.3	Very high	88.1	Confident	3 Å²	3	45.9 Å²	45.9	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	151.9	170.9	-51.4	-67.4	0	0	0	110.6	Y86 F105 F106 V116 M118 I131 F133 L137 F138	Y86-F158 HydrophobicContact CE2-CE1 4.25Å; F105-F158 HydrophobicContact CB-CB 4.12Å; F105-F158 HydrophobicContact CB-CD1 3.27Å; F105-F158 HydrophobicContact CB-CE1 3.75Å; F105-F158 HydrophobicContact CB-CG 3.75Å; F105-F158 AromaticContact CD2-CD1 4Å; F105-F158 HydrophobicContact CD2-CD1 4Å; F105-F158 HydrophobicContact CD2-CD2 4.42Å; F105-F158 AromaticContact CD2-CE1 3.71Å; F105-F158 HydrophobicContact CD2-CE1 3.71Å; F105-F158 HydrophobicContact CD2-CE2 4.14Å; F105-F158 HydrophobicContact CD2-CG 4.33Å; F105-F158 AromaticContact CD2-CZ 3.78Å; F105-F158 HydrophobicContact CD2-CZ 3.78Å; F105-F158 HydrophobicContact CE2-CZ 4.49Å; F105-F158 AromaticContact CG-CD1 3.94Å; F105-F158 HydrophobicContact CG-CD1 3.94Å; F105-F158 HydrophobicContact CG-CE1 4.13Å; F105-F158 HydrophobicContact CG-CG 4.16Å; F106-F158 CarbonylContact O-C 3.51Å; F106-F158 VanDerWaalsContact O-CA 3.26Å; F106-F158 WeakPolarHBondContact O-CA 3.26Å; V116-F158 WeakPolarHBondContact CB-O 3.36Å; V116-F158 PolarHBondContact N-O 3.24Å; M118-F158 HydrophobicContact CB-CD2 4.06Å; M118-F158 HydrophobicContact CB-CE2 4.25Å; M118-F158 HydrophobicContact CE-CB 3.63Å; M118-F158 HydrophobicContact CE-CG 4.38Å; M118-F158 HydrophobicContact CG-CB 4.13Å; M118-F158 HydrophobicContact CG-CD2 3.37Å; M118-F158 HydrophobicContact CG-CE2 4Å; M118-F158 HydrophobicContact CG-CG 3.95Å; I131-F158 HydrophobicContact CG2-CE2 4.13Å; I131-F158 HydrophobicContact CG2-CZ 4.09Å; I131-F158 WeakPolarHBondContact O-CE2 3.43Å; F133-F158 HydrophobicContact CB-CE2 4.36Å; F133-F158 HydrophobicContact CB-CZ 4.29Å; F133-F158 HydrophobicContact CD2-CD1 4.41Å; F133-F158 HydrophobicContact CD2-CE1 4.17Å; L137-F158 HydrophobicContact CD1-CE1 4.08Å; L137-F158 HydrophobicContact CD1-CZ 3.73Å; F138-F158 HydrophobicContact CE2-CD1 4.2Å; F138-F158 AromaticContact CE2-CE1 3.82Å; F138-F158 HydrophobicContact CE2-CE1 3.82Å; F138-F158 AromaticContact CZ-CD1 3.9Å; F138-F158 HydrophobicContact CZ-CD1 3.9Å; F138-F158 AromaticContact CZ-CE1 3.9Å; F138-F158 HydrophobicContact CZ-CE1 3.9Å
159	A	95.6	Very high	88.7	Confident	6 Å²	6	41 Å²	41	5%	0.05	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-12.1	175.8	0	0	0	0	0	113.4	F106 M108 F112 L178	F106-A159 HydrophobicContact CB-CB 4.11Å; F106-A159 PolarHBondContact O-N 2.96Å; M108-A159 HydrophobicContact CG-CB 4.24Å; F112-A159 HydrophobicContact CB-CB 3.7Å; F112-A159 HydrophobicContact CG-CB 4.32Å; A159-L178 HydrophobicContact CB-CD1 3.8Å
160	G	97.9	Very high	89.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-168.3	-169.2	0	0	0	0	0	111.3	F105 F106 M118 F177	F105-G160 WeakPolarHBondContact CA-O 3.46Å; F106-G160 PolarHBondContact N-O 3.17Å; M118-G160 VanDerWaalsContact CE-O 3.27Å; M118-G160 WeakPolarHBondContact CE-O 3.42Å; G160-F177 CarbonylContact C-O 3.5Å; G160-F177 WeakPolarHBondContact CA-O 3.43Å
161	F	98.6	Very high	89.7	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	161.5	179.3	72.8	-90.1	0	0	0	112.3	Q104 F105 F106 V163 F177 F217 F219 F229 V231	Q104-F161 CarbonylContact O-C 3.59Å; Q104-F161 VanDerWaalsContact O-CA 3.25Å; Q104-F161 WeakPolarHBondContact O-CA 3.13Å; Q104-F161 WeakPolarHBondContact O-CB 3.31Å; F105-F161 HydrophobicContact CD1-CB 3.7Å; F105-F161 HydrophobicContact CE1-CB 4.16Å; F106-F161 WeakPolarHBondContact CE2-O 3.27Å; F161-V163 HydrophobicContact CD2-CG2 3.86Å; F161-V163 HydrophobicContact CE2-CG2 3.82Å; F161-F177 HydrophobicContact CD1-CB 3.75Å; F161-F177 HydrophobicContact CD1-CD2 4.49Å; F161-F177 HydrophobicContact CD1-CG 4.19Å; F161-F177 HydrophobicContact CD2-CD2 4.48Å; F161-F177 HydrophobicContact CE1-CB 3.49Å; F161-F177 VanDerWaalsContact CE1-CB 3.49Å; F161-F177 AromaticContact CE1-CD1 3.93Å; F161-F177 HydrophobicContact CE1-CD1 3.93Å; F161-F177 AromaticContact CE1-CD2 3.64Å; F161-F177 HydrophobicContact CE1-CD2 3.64Å; F161-F177 HydrophobicContact CE1-CE2 4.35Å; F161-F177 AromaticContact CE1-CG 3.41Å; F161-F177 HydrophobicContact CE1-CG 3.41Å; F161-F177 VanDerWaalsContact CE1-CG 3.41Å; F161-F177 AromaticContact CE2-CD2 3.62Å; F161-F177 HydrophobicContact CE2-CD2 3.62Å; F161-F177 HydrophobicContact CE2-CE2 4.12Å; F161-F177 HydrophobicContact CE2-CG 4.25Å; F161-F177 HydrophobicContact CG-CB 4.4Å; F161-F177 HydrophobicContact CZ-CB 3.93Å; F161-F177 HydrophobicContact CZ-CD1 4.09Å; F161-F177 AromaticContact CZ-CD2 3.12Å; F161-F177 HydrophobicContact CZ-CD2 3.12Å; F161-F177 HydrophobicContact CZ-CE1 4.43Å; F161-F177 AromaticContact CZ-CE2 3.56Å; F161-F177 HydrophobicContact CZ-CE2 3.56Å; F161-F177 AromaticContact CZ-CG 3.45Å; F161-F177 HydrophobicContact CZ-CG 3.45Å; F161-F177 VanDerWaalsContact CZ-CG 3.45Å; F161-F177 HydrophobicContact CZ-CZ 4.2Å; F161-F177 PolarHBondContact N-O 2.64Å; F161-F177 PolarHBondContact O-N 3.27Å; F161-F217 HydrophobicContact CD1-CD1 4.43Å; F161-F217 HydrophobicContact CD1-CD2 4.03Å; F161-F217 HydrophobicContact CD1-CE1 4.46Å; F161-F217 HydrophobicContact CD1-CE2 4.09Å; F161-F217 HydrophobicContact CD1-CG 4.21Å; F161-F217 HydrophobicContact CD1-CZ 4.3Å; F161-F217 AromaticContact CE1-CD1 3.76Å; F161-F217 HydrophobicContact CE1-CD1 3.76Å; F161-F217 HydrophobicContact CE1-CD2 4.13Å; F161-F217 AromaticContact CE1-CE1 3.67Å; F161-F217 HydrophobicContact CE1-CE1 3.67Å; F161-F217 HydrophobicContact CE1-CE2 4.07Å; F161-F217 AromaticContact CE1-CG 3.99Å; F161-F217 HydrophobicContact CE1-CG 3.99Å; F161-F217 AromaticContact CE1-CZ 3.83Å; F161-F217 HydrophobicContact CE1-CZ 3.83Å; F161-F219 HydrophobicContact CB-CE1 4.5Å; F161-F219 HydrophobicContact CB-CZ 4.14Å; F161-F219 AromaticContact CD1-CE1 3.83Å; F161-F219 HydrophobicContact CD1-CE1 3.83Å; F161-F219 AromaticContact CD1-CZ 3.56Å; F161-F219 HydrophobicContact CD1-CZ 3.56Å; F161-F219 AromaticContact CD2-CE1 3.83Å; F161-F219 HydrophobicContact CD2-CE1 3.83Å; F161-F219 HydrophobicContact CD2-CZ 4.26Å; F161-F219 AromaticContact CE1-CE1 3.89Å; F161-F219 HydrophobicContact CE1-CE1 3.89Å; F161-F219 AromaticContact CE1-CZ 3.94Å; F161-F219 HydrophobicContact CE1-CZ 3.94Å; F161-F219 AromaticContact CE2-CE1 3.91Å; F161-F219 HydrophobicContact CE2-CE1 3.91Å; F161-F219 AromaticContact CG-CE1 3.79Å; F161-F219 HydrophobicContact CG-CE1 3.79Å; F161-F219 AromaticContact CG-CZ 3.73Å; F161-F219 HydrophobicContact CG-CZ 3.73Å; F161-F219 AromaticContact CZ-CE1 3.93Å; F161-F219 HydrophobicContact CZ-CE1 3.93Å; F161-F219 HydrophobicContact CZ-CZ 4.45Å; F161-F229 HydrophobicContact CE2-CE2 4.45Å; F161-V231 HydrophobicContact CE1-CG2 4.32Å; F161-V231 HydrophobicContact CZ-CG1 4.09Å; F161-V231 HydrophobicContact CZ-CG2 4.25Å
162	R	98.5	Very high	90.5	Very high	40 Å²	40	39.7 Å²	39.7	15%	0.151	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.5	171.2	59.2	-179	179.5	-177.6	4.8	110.4	A103 Q104 F106 F164 D173 V175	A103-R162 WeakPolarHBondContact CA-O 3.38Å; Q104-R162 HydrophobicContact CB-CG 4.2Å; Q104-R162 PolarHBondContact N-O 2.86Å; Q104-R162 PolarHBondContact O-N 3.4Å; F106-R162 HydrophobicContact CE2-CB 3.82Å; F106-R162 HydrophobicContact CE2-CG 4.21Å; F106-R162 HydrophobicContact CZ-CB 3.85Å; F106-R162 HydrophobicContact CZ-CG 4.03Å; R162-F164 HydrophobicContact CG-CE2 3.81Å; R162-F164 HydrophobicContact CG-CZ 3.96Å; R162-D173 HydrophobicContact CB-CB 3.94Å; R162-D173 HydrophobicContact CG-CB 4.38Å; R162-V175 CarbonylContact C-O 3.55Å; R162-V175 WeakPolarHBondContact CA-O 3.26Å
163	V	98.7	Very high	91.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.8	-178.3	-178.7	0	0	0	0	109.9	W93 L101 D102 A103 F161 D173 V174 V175 F229	W93-V163 HydrophobicContact CZ3-CG1 4.33Å; L101-V163 HydrophobicContact CD2-CG1 4.27Å; D102-V163 CarbonylContact O-C 3.58Å; D102-V163 WeakPolarHBondContact O-CA 3.29Å; D102-V163 WeakPolarHBondContact O-CG1 3.38Å; A103-V163 HydrophobicContact CB-CG2 4.08Å; F161-V163 HydrophobicContact CD2-CG2 3.86Å; F161-V163 HydrophobicContact CE2-CG2 3.82Å; V163-D173 CarbonylContact O-C 3.51Å; V163-D173 VanDerWaalsContact O-CA 3.26Å; V163-D173 WeakPolarHBondContact O-CA 3.36Å; V163-D173 WeakPolarHBondContact O-CB 3.49Å; V163-V174 WeakPolarHBondContact O-CG2 3.35Å; V163-V174 PolarHBondContact O-N 2.64Å; V163-V175 HydrophobicContact CB-CB 4.2Å; V163-V175 PolarHBondContact N-O 3.28Å; V163-V175 PolarHBondContact O-N 2.83Å; V163-F229 HydrophobicContact CB-CE1 4.31Å; V163-F229 HydrophobicContact CB-CZ 4.28Å; V163-F229 HydrophobicContact CG1-CD1 4.47Å; V163-F229 HydrophobicContact CG1-CE1 3.9Å; V163-F229 HydrophobicContact CG1-CZ 4.3Å; V163-F229 HydrophobicContact CG2-CE1 4.03Å; V163-F229 HydrophobicContact CG2-CE2 4.15Å; V163-F229 HydrophobicContact CG2-CZ 3.56Å
164	F	98.3	Very high	92.8	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154.7	178.3	-55.2	-96.9	0	0	0	109.5	L101 D102 Q104 R162 L169 A170 R172 D173	L101-F164 WeakPolarHBondContact CA-O 3.41Å; L101-F164 WeakPolarHBondContact CD2-O 3.28Å; D102-F164 PolarHBondContact N-O 3.09Å; D102-F164 VanDerWaalsContact N-O 3.12Å; D102-F164 PolarHBondContact O-N 3.06Å; Q104-F164 HydrophobicContact CB-CE2 3.95Å; Q104-F164 VanDerWaalsContact CD-CE2 3.42Å; Q104-F164 HydrophobicContact CG-CD2 4.38Å; Q104-F164 HydrophobicContact CG-CE2 3.63Å; Q104-F164 HydrophobicContact CG-CZ 4.44Å; R162-F164 HydrophobicContact CG-CE2 3.81Å; R162-F164 HydrophobicContact CG-CZ 3.96Å; F164-L169 HydrophobicContact CB-CD2 4.14Å; F164-A170 VanDerWaalsContact CE1-C 3.46Å; F164-R172 WeakPolarHBondContact CD1-O 3.37Å; F164-D173 HydrophobicContact CD1-CB 4.08Å; F164-D173 HydrophobicContact CE1-CB 3.84Å; F164-D173 HydrophobicContact CZ-CB 4.15Å
165	K	98	Very high	94.3	Very high	31 Å²	31	29.5 Å²	29.5	14%	0.135	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138	176	-172.1	-169.6	174	-175.3	0	110.4	Q100 L101 E168 V174 C250 E251	Q100-K165 CarbonylContact O-C 3.55Å; Q100-K165 WeakPolarHBondContact O-CA 3.15Å; L101-K165 HydrophobicContact CD2-CB 3.95Å; L101-K165 HydrophobicContact CD2-CG 3.93Å; K165-E168 CarbonylContact O-C 3.55Å; K165-E168 WeakPolarHBondContact O-CA 3.47Å; K165-E168 PolarHBondContact O-N 3.48Å; K165-V174 HydrophobicContact CB-CG1 4.29Å; K165-V174 HydrophobicContact CB-CG2 4.18Å; K165-C250 HydrophobicContact CD-CB 4.06Å; K165-C250 WeakPolarHBondContact CD-O 3.49Å; K165-C250 WeakPolarHBondContact CE-O 3.46Å; K165-C250 PolarHBondContact NZ-O 2.89Å; K165-E251 PolarHBondContact NZ-O 3.11Å
166	A	97.2	Very high	95.6	Very high	21 Å²	21	26.3 Å²	26.3	17%	0.174	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	142.1	173.5	0	0	0	0	0	111.1	Q100 E168 L169	Q100-A166 PolarHBondContact O-N 3.47Å; A166-E168 VanDerWaalsContact C-N 3.33Å; A166-L169 HydrophobicContact CB-CD1 4.47Å; A166-L169 HydrophobicContact CB-CD2 4.39Å; A166-L169 HydrophobicContact CB-CG 4.22Å
167	P	95.6	Very high	96.4	Very high	117 Å²	117	26.1 Å²	26.1	76%	0.76	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.2	5.8	5.7	35.2	-36.9	0	0	0	114.9	L169	P167-L169 PolarHBondContact O-N 2.73Å
168	E	96.1	Very high	96.9	Very high	37 Å²	37	27.1 Å²	27.1	17%	0.173	14%	0.143	C	C	.	.	S	Bend	trans	-97.3	30.5	-170.2	-54	-59.8	-179.1	0	0	114.8	K165 A166 A170 R171 R172 Y190	K165-E168 CarbonylContact O-C 3.55Å; K165-E168 WeakPolarHBondContact O-CA 3.47Å; K165-E168 PolarHBondContact O-N 3.48Å; A166-E168 VanDerWaalsContact C-N 3.33Å; E168-A170 PolarHBondContact O-N 3.07Å; E168-R171 PolarHBondContact O-N 2.92Å; E168-R171 IonicContact OE1-CZ 3.86Å; E168-R171 IonicContact OE1-NH2 2.75Å; E168-R171 PolarHBondContact OE1-NH2 2.5Å; E168-R171 IonicContact OE2-CZ 3.32Å; E168-R171 IonicContact OE2-NE 2.72Å; E168-R171 PolarHBondContact OE2-NE 2.73Å; E168-R171 IonicContact OE2-NH2 2.84Å; E168-R171 PolarHBondContact OE2-NH2 2.71Å; E168-R172 HydrophobicContact CB-CB 4.06Å; E168-R172 PolarHBondContact O-N 2.93Å; E168-Y190 HydrophobicContact CB-CE1 4.47Å; E168-Y190 HydrophobicContact CG-CE1 4.35Å
169	L	96.4	Very high	96.8	Very high	49 Å²	49	27.5 Å²	27.5	26%	0.257	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	132.2	179.5	-61.2	-176.8	0	0	0	110.8	R99 D102 F164 A166 P167 R171	R99-L169 HydrophobicContact CG-CD1 3.99Å; D102-L169 HydrophobicContact CB-CD2 4Å; F164-L169 HydrophobicContact CB-CD2 4.14Å; A166-L169 HydrophobicContact CB-CD1 4.47Å; A166-L169 HydrophobicContact CB-CD2 4.39Å; A166-L169 HydrophobicContact CB-CG 4.22Å; P167-L169 PolarHBondContact O-N 2.73Å; L169-R171 PolarHBondContact O-N 3.27Å
170	A	92.8	Very high	96.7	Very high	40 Å²	40	27.9 Å²	27.9	33%	0.331	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	2.9	-175.7	0	0	0	0	0	116.6	A88 F164 E168	A88-A170 HydrophobicContact CB-CB 3.64Å; F164-A170 VanDerWaalsContact CE1-C 3.46Å; E168-A170 PolarHBondContact O-N 3.07Å
171	R	94.5	Very high	96.7	Very high	75 Å²	75	27.9 Å²	27.9	28%	0.283	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-47.7	-177.7	-164.8	178.7	74.3	95.9	-4.8	113.7	E168 L169	E168-R171 PolarHBondContact O-N 2.92Å; E168-R171 IonicContact OE1-CZ 3.86Å; E168-R171 IonicContact OE1-NH2 2.75Å; E168-R171 PolarHBondContact OE1-NH2 2.5Å; E168-R171 IonicContact OE2-CZ 3.32Å; E168-R171 IonicContact OE2-NE 2.72Å; E168-R171 PolarHBondContact OE2-NE 2.73Å; E168-R171 IonicContact OE2-NH2 2.84Å; E168-R171 PolarHBondContact OE2-NH2 2.71Å; L169-R171 PolarHBondContact O-N 3.27Å
172	R	94.3	Very high	96.6	Very high	89 Å²	89	28.6 Å²	28.6	34%	0.336	15%	0.154	S	C	.	.	S	Bend	trans	-130.8	111.7	177.4	-64.1	-176	171.8	-175.1	-3.1	110.1	F164 E168 Y190	F164-R172 WeakPolarHBondContact CD1-O 3.37Å; E168-R172 HydrophobicContact CB-CB 4.06Å; E168-R172 PolarHBondContact O-N 2.93Å; R172-Y190 HydrophobicContact CB-CD1 3.56Å; R172-Y190 HydrophobicContact CB-CE1 3.73Å; R172-Y190 HydrophobicContact CB-CG 4.41Å; R172-Y190 HydrophobicContact CG-CD1 4.33Å
173	D	97.3	Very high	96.6	Very high	22 Å²	22	26.8 Å²	26.8	12%	0.118	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	147.8	173.9	57.6	-61.1	0	0	0	111	R162 V163 F164 Y192	R162-D173 HydrophobicContact CB-CB 3.94Å; R162-D173 HydrophobicContact CG-CB 4.38Å; V163-D173 CarbonylContact O-C 3.51Å; V163-D173 VanDerWaalsContact O-CA 3.26Å; V163-D173 WeakPolarHBondContact O-CA 3.36Å; V163-D173 WeakPolarHBondContact O-CB 3.49Å; F164-D173 HydrophobicContact CD1-CB 4.08Å; F164-D173 HydrophobicContact CE1-CB 3.84Å; F164-D173 HydrophobicContact CZ-CB 4.15Å; D173-Y192 VanDerWaalsContact OD2-CE2 3.28Å; D173-Y192 WeakPolarHBondContact OD2-CE2 3.4Å; D173-Y192 VanDerWaalsContact OD2-CZ 3.32Å; D173-Y192 PolarHBondContact OD2-OH 3Å
174	V	98.3	Very high	96.6	Very high	9 Å²	9	28.6 Å²	28.6	6%	0.055	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-16.1	180	-65.5	0	0	0	0	112.8	V163 K165 A185 V186 Y190	V163-V174 WeakPolarHBondContact O-CG2 3.35Å; V163-V174 PolarHBondContact O-N 2.64Å; K165-V174 HydrophobicContact CB-CG1 4.29Å; K165-V174 HydrophobicContact CB-CG2 4.18Å; V174-A185 VanDerWaalsContact O-CA 3.23Å; V174-A185 WeakPolarHBondContact O-CA 3.36Å; V174-A185 WeakPolarHBondContact O-CB 3.4Å; V174-V186 HydrophobicContact CB-CG2 3.88Å; V174-V186 HydrophobicContact CG1-CG2 3.97Å; V174-V186 PolarHBondContact O-N 3.12Å; V174-V186 VanDerWaalsContact O-N 3.11Å; V174-Y190 HydrophobicContact CG1-CD1 4.1Å; V174-Y190 HydrophobicContact CG1-CE1 3.66Å
175	V	98.8	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.6	178.4	175.2	0	0	0	0	108.4	R162 V163 F177 R184 A185 Y192 I248 V255 M257	R162-V175 CarbonylContact C-O 3.55Å; R162-V175 WeakPolarHBondContact CA-O 3.26Å; V163-V175 HydrophobicContact CB-CB 4.2Å; V163-V175 PolarHBondContact N-O 3.28Å; V163-V175 PolarHBondContact O-N 2.83Å; V175-F177 HydrophobicContact CG1-CD2 3.84Å; V175-F177 HydrophobicContact CG1-CE2 3.57Å; V175-R184 WeakPolarHBondContact CA-O 3.29Å; V175-A185 HydrophobicContact CG2-CB 4.02Å; V175-Y192 VanDerWaalsContact C-OH 3.32Å; V175-Y192 PolarHBondContact N-OH 2.77Å; V175-I248 HydrophobicContact CG1-CD1 4.43Å; V175-I248 HydrophobicContact CG2-CG2 4.03Å; V175-V255 HydrophobicContact CG2-CG1 3.95Å; V175-V255 HydrophobicContact CG2-CG2 4.24Å; V175-M257 HydrophobicContact CB-CE 4.48Å; V175-M257 HydrophobicContact CG1-CE 3.75Å; V175-M257 HydrophobicContact CG2-CE 3.92Å
176	S	98.6	Very high	96.6	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.028	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.2	177.2	173.6	0	0	0	0	110.7	F106 F183 R184 Y192	F106-S176 WeakPolarHBondContact CE2-OG 3.18Å; S176-F183 CarbonylContact O-C 3.55Å; S176-F183 WeakPolarHBondContact O-CA 3Å; S176-R184 PolarHBondContact N-O 3.49Å; S176-R184 PolarHBondContact O-N 2.85Å; S176-Y192 WeakPolarHBondContact CB-OH 3.41Å; S176-Y192 PolarHBondContact N-OH 2.81Å
177	F	98.7	Very high	96.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.3	169.9	-76	-114.5	0	0	0	107.4	G160 F161 V175 Y182 F183 F214 F217 F246 I248 M257	G160-F177 CarbonylContact C-O 3.5Å; G160-F177 WeakPolarHBondContact CA-O 3.43Å; F161-F177 HydrophobicContact CD1-CB 3.75Å; F161-F177 HydrophobicContact CD1-CD2 4.49Å; F161-F177 HydrophobicContact CD1-CG 4.19Å; F161-F177 HydrophobicContact CD2-CD2 4.48Å; F161-F177 HydrophobicContact CE1-CB 3.49Å; F161-F177 VanDerWaalsContact CE1-CB 3.49Å; F161-F177 AromaticContact CE1-CD1 3.93Å; F161-F177 HydrophobicContact CE1-CD1 3.93Å; F161-F177 AromaticContact CE1-CD2 3.64Å; F161-F177 HydrophobicContact CE1-CD2 3.64Å; F161-F177 HydrophobicContact CE1-CE2 4.35Å; F161-F177 AromaticContact CE1-CG 3.41Å; F161-F177 HydrophobicContact CE1-CG 3.41Å; F161-F177 VanDerWaalsContact CE1-CG 3.41Å; F161-F177 AromaticContact CE2-CD2 3.62Å; F161-F177 HydrophobicContact CE2-CD2 3.62Å; F161-F177 HydrophobicContact CE2-CE2 4.12Å; F161-F177 HydrophobicContact CE2-CG 4.25Å; F161-F177 HydrophobicContact CG-CB 4.4Å; F161-F177 HydrophobicContact CZ-CB 3.93Å; F161-F177 HydrophobicContact CZ-CD1 4.09Å; F161-F177 AromaticContact CZ-CD2 3.12Å; F161-F177 HydrophobicContact CZ-CD2 3.12Å; F161-F177 HydrophobicContact CZ-CE1 4.43Å; F161-F177 AromaticContact CZ-CE2 3.56Å; F161-F177 HydrophobicContact CZ-CE2 3.56Å; F161-F177 AromaticContact CZ-CG 3.45Å; F161-F177 HydrophobicContact CZ-CG 3.45Å; F161-F177 VanDerWaalsContact CZ-CG 3.45Å; F161-F177 HydrophobicContact CZ-CZ 4.2Å; F161-F177 PolarHBondContact N-O 2.64Å; F161-F177 PolarHBondContact O-N 3.27Å; V175-F177 HydrophobicContact CG1-CD2 3.84Å; V175-F177 HydrophobicContact CG1-CE2 3.57Å; F177-Y182 WeakPolarHBondContact CA-O 3.34Å; F177-F183 HydrophobicContact CB-CB 4.39Å; F177-F183 HydrophobicContact CD1-CB 3.44Å; F177-F183 VanDerWaalsContact CD1-CB 3.44Å; F177-F183 HydrophobicContact CD1-CD1 4.32Å; F177-F183 HydrophobicContact CD1-CG 4.08Å; F177-F183 HydrophobicContact CD2-CB 3.73Å; F177-F183 HydrophobicContact CE1-CB 3.44Å; F177-F183 VanDerWaalsContact CE1-CB 3.44Å; F177-F183 AromaticContact CE1-CD1 3.87Å; F177-F183 HydrophobicContact CE1-CD1 3.87Å; F177-F183 HydrophobicContact CE1-CD2 4.24Å; F177-F183 AromaticContact CE1-CG 3.6Å; F177-F183 HydrophobicContact CE1-CG 3.6Å; F177-F183 HydrophobicContact CE2-CB 3.73Å; F177-F183 HydrophobicContact CE2-CG 4.33Å; F177-F183 HydrophobicContact CG-CB 3.57Å; F177-F183 HydrophobicContact CZ-CB 3.58Å; F177-F183 HydrophobicContact CZ-CD1 4.41Å; F177-F183 AromaticContact CZ-CD2 3.95Å; F177-F183 HydrophobicContact CZ-CD2 3.95Å; F177-F183 AromaticContact CZ-CG 3.74Å; F177-F183 HydrophobicContact CZ-CG 3.74Å; F177-F214 HydrophobicContact CD1-CD2 4.25Å; F177-F214 HydrophobicContact CD1-CE2 4.16Å; F177-F214 HydrophobicContact CE1-CE2 4.25Å; F177-F217 HydrophobicContact CB-CZ 4.24Å; F177-F217 AromaticContact CD1-CE1 3.89Å; F177-F217 HydrophobicContact CD1-CE1 3.89Å; F177-F217 AromaticContact CD1-CZ 3.81Å; F177-F217 HydrophobicContact CD1-CZ 3.81Å; F177-F217 HydrophobicContact CE1-CE1 4.33Å; F177-F217 HydrophobicContact CG-CZ 4.36Å; F177-F246 HydrophobicContact CE1-CD1 4.48Å; F177-F246 HydrophobicContact CE1-CD2 4.49Å; F177-F246 HydrophobicContact CE1-CE1 4.14Å; F177-F246 HydrophobicContact CE1-CE2 4.13Å; F177-F246 AromaticContact CE1-CZ 3.96Å; F177-F246 HydrophobicContact CE1-CZ 3.96Å; F177-F246 HydrophobicContact CZ-CD1 4.15Å; F177-F246 HydrophobicContact CZ-CE1 4.18Å; F177-F246 HydrophobicContact CZ-CG 4.39Å; F177-F246 HydrophobicContact CZ-CZ 4.43Å; F177-I248 HydrophobicContact CE2-CD1 4Å; F177-I248 HydrophobicContact CZ-CD1 4.14Å; F177-M257 HydrophobicContact CZ-SD 4.43Å
178	L	96.4	Very high	96.5	Very high	21 Å²	21	25.1 Å²	25.1	11%	0.11	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	121.9	-173.6	-179.4	60	0	0	0	111.8	F106 F112 A159 Y182	F106-L178 HydrophobicContact CB-CD1 3.8Å; F106-L178 HydrophobicContact CD1-CD2 4.29Å; F106-L178 HydrophobicContact CD2-CB 4.09Å; F106-L178 HydrophobicContact CD2-CD1 3.87Å; F106-L178 HydrophobicContact CD2-CD2 4.22Å; F106-L178 HydrophobicContact CD2-CG 4.28Å; F106-L178 HydrophobicContact CE1-CD2 4.32Å; F106-L178 HydrophobicContact CE2-CB 4.11Å; F106-L178 HydrophobicContact CE2-CD2 4.24Å; F106-L178 HydrophobicContact CG-CD1 3.86Å; F106-L178 HydrophobicContact CG-CD2 4.24Å; F106-L178 HydrophobicContact CZ-CD2 4.29Å; F112-L178 HydrophobicContact CD1-CD1 3.88Å; F112-L178 HydrophobicContact CD1-CG 4.09Å; F112-L178 HydrophobicContact CD2-CD1 4.25Å; F112-L178 HydrophobicContact CE1-CD1 3.94Å; F112-L178 HydrophobicContact CE1-CD2 4.1Å; F112-L178 HydrophobicContact CE1-CG 3.63Å; F112-L178 HydrophobicContact CE2-CD1 4.29Å; F112-L178 HydrophobicContact CE2-CD2 3.98Å; F112-L178 HydrophobicContact CE2-CG 4.27Å; F112-L178 HydrophobicContact CG-CD1 4.04Å; F112-L178 HydrophobicContact CZ-CD1 4.14Å; F112-L178 HydrophobicContact CZ-CD2 3.64Å; F112-L178 HydrophobicContact CZ-CG 3.72Å; A159-L178 HydrophobicContact CB-CD1 3.8Å; L178-Y182 PolarHBondContact N-O 2.85Å
179	G	91.6	Very high	96.5	Very high	11 Å²	11	25.2 Å²	25.2	11%	0.113	13%	0.131	C	C	.	.	S	Bend	trans	77.4	132.1	176.5	0	0	0	0	0	113.7	S181 Y182	G179-S181 PolarHBondContact O-N 2.87Å; G179-Y182 WeakPolarHBondContact O-CB 3.41Å; G179-Y182 PolarHBondContact O-N 3.17Å
180	A	93.9	Very high	96.4	Very high	14 Å²	14	25.9 Å²	25.9	12%	0.116	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	-123.8	-175.4	0	0	0	0	0	111.1	F6 Y182 F211 P212 D213 F214	F6-A180 HydrophobicContact CE2-CB 4Å; F6-A180 HydrophobicContact CZ-CB 3.74Å; A180-Y182 HydrophobicContact CB-CD2 4.1Å; A180-Y182 HydrophobicContact CB-CE2 4.4Å; A180-F211 HydrophobicContact CB-CB 4.34Å; A180-P212 CarbonylContact C-O 3.55Å; A180-P212 VanDerWaalsContact C-O 3.26Å; A180-P212 WeakPolarHBondContact CB-O 3.36Å; A180-D213 WeakPolarHBondContact CA-OD1 3.34Å; A180-F214 PolarHBondContact O-N 2.85Å
181	S	97.7	Very high	96.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	25.7	174.4	53.1	0	0	0	0	112.3	G179 F183 R197 G198 P212 F214	G179-S181 PolarHBondContact O-N 2.87Å; S181-F183 WeakPolarHBondContact O-CD1 3.38Å; S181-R197 CarbonylContact O-C 3.41Å; S181-R197 VanDerWaalsContact O-CA 3.25Å; S181-R197 WeakPolarHBondContact O-CA 3.49Å; S181-G198 PolarHBondContact O-N 2.89Å; S181-G198 PolarHBondContact OG-N 2.86Å; S181-P212 WeakPolarHBondContact CB-O 3.47Å; S181-P212 PolarHBondContact N-O 3.15Å; S181-P212 PolarHBondContact OG-O 3.17Å; S181-F214 VanDerWaalsContact CA-CD2 3.45Å; S181-F214 VanDerWaalsContact O-CE2 3.29Å; S181-F214 WeakPolarHBondContact O-CE2 3.31Å
182	Y	97.8	Very high	96.6	Very high	14 Å²	14	23 Å²	23	6%	0.055	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	143.7	-179.2	-77.8	-103.6	0	0	0	112.3	F6 F177 L178 G179 A180 A196 R197 F211	F6-Y182 HydrophobicContact CD1-CE2 4.01Å; F6-Y182 AromaticContact CE1-CD2 3.52Å; F6-Y182 HydrophobicContact CE1-CD2 3.52Å; F6-Y182 AromaticContact CE1-CE2 3.19Å; F6-Y182 HydrophobicContact CE1-CE2 3.19Å; F6-Y182 HydrophobicContact CE1-CG 4.38Å; F6-Y182 AromaticContact CE1-CZ 3.81Å; F6-Y182 AromaticContact CZ-CD2 3.79Å; F6-Y182 HydrophobicContact CZ-CD2 3.79Å; F6-Y182 AromaticContact CZ-CE2 3.86Å; F6-Y182 HydrophobicContact CZ-CE2 3.86Å; F177-Y182 WeakPolarHBondContact CA-O 3.34Å; L178-Y182 PolarHBondContact N-O 2.85Å; G179-Y182 WeakPolarHBondContact O-CB 3.41Å; G179-Y182 PolarHBondContact O-N 3.17Å; A180-Y182 HydrophobicContact CB-CD2 4.1Å; A180-Y182 HydrophobicContact CB-CE2 4.4Å; Y182-A196 WeakPolarHBondContact CA-O 3.44Å; Y182-R197 HydrophobicContact CD1-CG 3.66Å; Y182-R197 HydrophobicContact CD2-CG 4.01Å; Y182-R197 HydrophobicContact CE1-CG 3.59Å; Y182-R197 HydrophobicContact CE2-CG 3.93Å; Y182-R197 HydrophobicContact CG-CG 3.89Å; Y182-F211 HydrophobicContact CE2-CD1 4.15Å; Y182-F211 HydrophobicContact CE2-CE1 4.42Å
183	F	98.7	Very high	96.6	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	155.3	170.4	58.7	-82.8	0	0	0	111.6	S176 F177 S181 A196 F214 F246 M257 L412 W414	S176-F183 CarbonylContact O-C 3.55Å; S176-F183 WeakPolarHBondContact O-CA 3Å; F177-F183 HydrophobicContact CB-CB 4.39Å; F177-F183 HydrophobicContact CD1-CB 3.44Å; F177-F183 VanDerWaalsContact CD1-CB 3.44Å; F177-F183 HydrophobicContact CD1-CD1 4.32Å; F177-F183 HydrophobicContact CD1-CG 4.08Å; F177-F183 HydrophobicContact CD2-CB 3.73Å; F177-F183 HydrophobicContact CE1-CB 3.44Å; F177-F183 VanDerWaalsContact CE1-CB 3.44Å; F177-F183 AromaticContact CE1-CD1 3.87Å; F177-F183 HydrophobicContact CE1-CD1 3.87Å; F177-F183 HydrophobicContact CE1-CD2 4.24Å; F177-F183 AromaticContact CE1-CG 3.6Å; F177-F183 HydrophobicContact CE1-CG 3.6Å; F177-F183 HydrophobicContact CE2-CB 3.73Å; F177-F183 HydrophobicContact CE2-CG 4.33Å; F177-F183 HydrophobicContact CG-CB 3.57Å; F177-F183 HydrophobicContact CZ-CB 3.58Å; F177-F183 HydrophobicContact CZ-CD1 4.41Å; F177-F183 AromaticContact CZ-CD2 3.95Å; F177-F183 HydrophobicContact CZ-CD2 3.95Å; F177-F183 AromaticContact CZ-CG 3.74Å; F177-F183 HydrophobicContact CZ-CG 3.74Å; S181-F183 WeakPolarHBondContact O-CD1 3.38Å; F183-A196 HydrophobicContact CD1-CB 4.38Å; F183-A196 HydrophobicContact CD2-CB 3.92Å; F183-A196 HydrophobicContact CE1-CB 3.95Å; F183-A196 HydrophobicContact CE2-CB 3.44Å; F183-A196 VanDerWaalsContact CE2-CB 3.44Å; F183-A196 HydrophobicContact CG-CB 4.37Å; F183-A196 HydrophobicContact CZ-CB 3.44Å; F183-A196 VanDerWaalsContact CZ-CB 3.44Å; F183-A196 PolarHBondContact N-O 3.37Å; F183-A196 PolarHBondContact O-N 2.86Å; F183-F214 HydrophobicContact CD1-CE2 4.13Å; F183-F214 HydrophobicContact CE1-CE2 4.5Å; F183-F246 HydrophobicContact CE1-CE1 4.17Å; F183-F246 HydrophobicContact CE1-CZ 4.37Å; F183-F246 HydrophobicContact CE2-CE1 4.19Å; F183-F246 AromaticContact CZ-CE1 3.92Å; F183-F246 HydrophobicContact CZ-CE1 3.92Å; F183-M257 HydrophobicContact CD2-SD 4.03Å; F183-M257 HydrophobicContact CE2-SD 4.15Å; F183-L412 HydrophobicContact CE2-CD1 3.67Å; F183-L412 HydrophobicContact CZ-CD1 3.95Å; F183-W414 HydrophobicContact CD2-CH2 4.14Å; F183-W414 HydrophobicContact CD2-CZ2 4.07Å; F183-W414 AromaticContact CE2-CH2 3.82Å; F183-W414 HydrophobicContact CE2-CH2 3.82Å; F183-W414 AromaticContact CE2-CZ2 3.98Å; F183-W414 HydrophobicContact CE2-CZ2 3.98Å
184	R	98.3	Very high	96.6	Very high	38 Å²	38	18.1 Å²	18.1	14%	0.143	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	159.4	-178.5	56.5	179.8	-167.1	-175	2.1	110.5	V175 S176 Y192	V175-R184 WeakPolarHBondContact CA-O 3.29Å; S176-R184 PolarHBondContact N-O 3.49Å; S176-R184 PolarHBondContact O-N 2.85Å; R184-Y192 HydrophobicContact CB-CD1 4.05Å; R184-Y192 HydrophobicContact CB-CE1 4.25Å; R184-Y192 HydrophobicContact CG-CD1 3.59Å; R184-Y192 HydrophobicContact CG-CE1 3.62Å; R184-Y192 HydrophobicContact CG-CG 4.43Å
185	A	98.6	Very high	96.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	171.2	175.1	0	0	0	0	0	110.8	V174 V175 V255 M257 W414	V174-A185 VanDerWaalsContact O-CA 3.23Å; V174-A185 WeakPolarHBondContact O-CA 3.36Å; V174-A185 WeakPolarHBondContact O-CB 3.4Å; V175-A185 HydrophobicContact CG2-CB 4.02Å; A185-V255 HydrophobicContact CB-CB 3.7Å; A185-V255 HydrophobicContact CB-CG1 3.72Å; A185-V255 HydrophobicContact CB-CG2 4.03Å; A185-M257 HydrophobicContact CB-CE 3.73Å; A185-W414 HydrophobicContact CB-CB 4.13Å; A185-W414 HydrophobicContact CB-CD2 3.72Å; A185-W414 HydrophobicContact CB-CE3 4.12Å; A185-W414 HydrophobicContact CB-CG 3.73Å; A185-W414 VanDerWaalsContact O-CD1 3.31Å
186	V	97.5	Very high	96.6	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	10%	0.097	C	C	.	.			trans	-116.5	164.9	-178.9	-54.7	0	0	0	0	111.3	V174 Y190 Y192 V255	V174-V186 HydrophobicContact CB-CG2 3.88Å; V174-V186 HydrophobicContact CG1-CG2 3.97Å; V174-V186 PolarHBondContact O-N 3.12Å; V174-V186 VanDerWaalsContact O-N 3.11Å; V186-Y190 HydrophobicContact CG2-CD1 4.48Å; V186-Y192 HydrophobicContact CG1-CD1 3.46Å; V186-Y192 VanDerWaalsContact CG1-CD1 3.46Å; V186-Y192 HydrophobicContact CG1-CD2 4.09Å; V186-Y192 HydrophobicContact CG1-CE1 3.5Å; V186-Y192 HydrophobicContact CG1-CE2 4.13Å; V186-Y192 HydrophobicContact CG1-CG 3.78Å; V186-V255 WeakPolarHBondContact O-CG2 3.19Å
187	D	96.4	Very high	96.5	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.032	10%	0.096	C	C	.	.			trans	-95.1	-164.6	161.7	63.6	8.4	0	0	0	110.5	T189 Y190 S253 R344 P360 A416	D187-T189 PolarHBondContact O-N 3.17Å; D187-T189 VanDerWaalsContact OD1-CB 3.24Å; D187-T189 WeakPolarHBondContact OD1-CB 3.03Å; D187-T189 VanDerWaalsContact OD1-CG2 3.3Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.43Å; D187-T189 PolarHBondContact OD1-N 2.6Å; D187-T189 PolarHBondContact OD1-OG1 3.03Å; D187-Y190 PolarHBondContact O-N 3.19Å; D187-Y190 VanDerWaalsContact O-N 3.15Å; D187-S253 WeakPolarHBondContact CB-O 3.45Å; D187-R344 IonicContact OD2-CZ 3.14Å; D187-R344 IonicContact OD2-NH1 3.44Å; D187-R344 IonicContact OD2-NH2 2.86Å; D187-R344 PolarHBondContact OD2-NH2 2.95Å; D187-P360 HydrophobicContact CB-CB 4.26Å; D187-A416 PolarHBondContact OD2-N 3.23Å
188	D	94.5	Very high	96.5	Very high	90 Å²	90	18.3 Å²	18.3	48%	0.481	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-8	177.3	50.2	15.4	0	0	0	115.2	Y190 S253	D188-Y190 VanDerWaalsContact C-N 3.31Å; D188-S253 PolarHBondContact N-O 3.37Å
189	T	95.5	Very high	96.6	Very high	39 Å²	39	17.3 Å²	17.3	24%	0.239	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-14.7	175.4	73.3	0	0	0	0	113.5	D187 Q191 K358	D187-T189 PolarHBondContact O-N 3.17Å; D187-T189 VanDerWaalsContact OD1-CB 3.24Å; D187-T189 WeakPolarHBondContact OD1-CB 3.03Å; D187-T189 VanDerWaalsContact OD1-CG2 3.3Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.43Å; D187-T189 PolarHBondContact OD1-N 2.6Å; D187-T189 PolarHBondContact OD1-OG1 3.03Å; T189-Q191 PolarHBondContact O-N 3.37Å; T189-Q191 WeakPolarHBondContact OG1-CB 3.32Å; T189-Q191 PolarHBondContact OG1-N 2.8Å; T189-K358 HydrophobicContact CG2-CB 3.95Å; T189-K358 HydrophobicContact CG2-CG 4.19Å; T189-K358 PolarHBondContact OG1-O 2.8Å
190	Y	94.7	Very high	96.9	Very high	63 Å²	63	16.8 Å²	16.8	25%	0.247	9%	0.085	C	C	.	.			trans	59	16.5	-170.2	-66.6	-93.8	0	0	0	114.5	E168 R172 V174 V186 D187 D188	E168-Y190 HydrophobicContact CB-CE1 4.47Å; E168-Y190 HydrophobicContact CG-CE1 4.35Å; R172-Y190 HydrophobicContact CB-CD1 3.56Å; R172-Y190 HydrophobicContact CB-CE1 3.73Å; R172-Y190 HydrophobicContact CB-CG 4.41Å; R172-Y190 HydrophobicContact CG-CD1 4.33Å; V174-Y190 HydrophobicContact CG1-CD1 4.1Å; V174-Y190 HydrophobicContact CG1-CE1 3.66Å; V186-Y190 HydrophobicContact CG2-CD1 4.48Å; D187-Y190 PolarHBondContact O-N 3.19Å; D187-Y190 VanDerWaalsContact O-N 3.15Å; D188-Y190 VanDerWaalsContact C-N 3.31Å
191	Q	95.7	Very high	97.1	Very high	32 Å²	32	16.1 Å²	16.1	15%	0.15	8%	0.08	C	C	.	.			trans	-93.5	122.7	179.1	-173.3	58.8	44.5	0	0	110.5	T189 G354 W355 K358 R359 P360	T189-Q191 PolarHBondContact O-N 3.37Å; T189-Q191 WeakPolarHBondContact OG1-CB 3.32Å; T189-Q191 PolarHBondContact OG1-N 2.8Å; Q191-G354 PolarHBondContact NE2-O 2.99Å; Q191-W355 HydrophobicContact CG-CB 4.2Å; Q191-K358 HydrophobicContact CB-CB 3.9Å; Q191-K358 HydrophobicContact CG-CB 4.23Å; Q191-R359 HydrophobicContact CG-CG 3.74Å; Q191-P360 WeakPolarHBondContact O-CD 3.14Å
192	Y	95.7	Very high	97.1	Very high	23 Å²	23	16.8 Å²	16.8	9%	0.09	8%	0.083	C	C	.	.			trans	-76.1	144.7	167.1	-74	-66.1	0	0	0	110.8	D173 V175 S176 R184 V186 R359	D173-Y192 VanDerWaalsContact OD2-CE2 3.28Å; D173-Y192 WeakPolarHBondContact OD2-CE2 3.4Å; D173-Y192 VanDerWaalsContact OD2-CZ 3.32Å; D173-Y192 PolarHBondContact OD2-OH 3Å; V175-Y192 VanDerWaalsContact C-OH 3.32Å; V175-Y192 PolarHBondContact N-OH 2.77Å; S176-Y192 WeakPolarHBondContact CB-OH 3.41Å; S176-Y192 PolarHBondContact N-OH 2.81Å; R184-Y192 HydrophobicContact CB-CD1 4.05Å; R184-Y192 HydrophobicContact CB-CE1 4.25Å; R184-Y192 HydrophobicContact CG-CD1 3.59Å; R184-Y192 HydrophobicContact CG-CE1 3.62Å; R184-Y192 HydrophobicContact CG-CG 4.43Å; V186-Y192 HydrophobicContact CG1-CD1 3.46Å; V186-Y192 VanDerWaalsContact CG1-CD1 3.46Å; V186-Y192 HydrophobicContact CG1-CD2 4.09Å; V186-Y192 HydrophobicContact CG1-CE1 3.5Å; V186-Y192 HydrophobicContact CG1-CE2 4.13Å; V186-Y192 HydrophobicContact CG1-CG 3.78Å; Y192-R359 WeakPolarHBondContact O-CG 3.4Å
193	G	94.7	Very high	96.9	Very high	7 Å²	7	16.8 Å²	16.8	7%	0.072	9%	0.085	C	C	.	.			trans	-132.9	-112.8	167.1	0	0	0	0	0	110.5	D300	G193-D300 WeakPolarHBondContact CA-OD2 3.14Å
194	L	97	Very high	96.7	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.104	C	C	.	.			trans	-59.9	156	178.3	76.4	-178.2	0	0	0	114.2	T278 D300 L339 P360 L362	L194-T278 WeakPolarHBondContact CA-O 3.36Å; L194-T278 WeakPolarHBondContact CB-O 3.47Å; L194-D300 PolarHBondContact N-OD2 3.29Å; L194-L339 HydrophobicContact CD1-CB 3.74Å; L194-L339 HydrophobicContact CD1-CD1 4.5Å; L194-P360 WeakPolarHBondContact CD2-O 3.39Å; L194-L362 HydrophobicContact CD1-CB 3.46Å; L194-L362 VanDerWaalsContact CD1-CB 3.46Å; L194-L362 HydrophobicContact CD1-CD2 4.45Å; L194-L362 HydrophobicContact CD2-CB 4.1Å; L194-L362 HydrophobicContact CG-CB 3.9Å; L194-L362 HydrophobicContact CG-CD2 4.42Å
195	S	97.9	Very high	96.4	Very high	14 Å²	14	22 Å²	22	10%	0.098	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.3	177.9	-59	0	0	0	0	111.3	M277 T278	S195-M277 CarbonylContact O-C 3.54Å; S195-M277 WeakPolarHBondContact O-CA 3.26Å; S195-T278 PolarHBondContact N-O 3.36Å; S195-T278 PolarHBondContact O-N 2.87Å
196	A	98.5	Very high	96	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	165.6	164.7	0	0	0	0	0	110.6	Y182 F183 P276 L362 L412 W414	Y182-A196 WeakPolarHBondContact CA-O 3.44Å; F183-A196 HydrophobicContact CD1-CB 4.38Å; F183-A196 HydrophobicContact CD2-CB 3.92Å; F183-A196 HydrophobicContact CE1-CB 3.95Å; F183-A196 HydrophobicContact CE2-CB 3.44Å; F183-A196 VanDerWaalsContact CE2-CB 3.44Å; F183-A196 HydrophobicContact CG-CB 4.37Å; F183-A196 HydrophobicContact CZ-CB 3.44Å; F183-A196 VanDerWaalsContact CZ-CB 3.44Å; F183-A196 PolarHBondContact N-O 3.37Å; F183-A196 PolarHBondContact O-N 2.86Å; A196-P276 CarbonylContact C-O 3.56Å; A196-P276 VanDerWaalsContact CA-O 3.23Å; A196-P276 WeakPolarHBondContact CA-O 3.4Å; A196-L362 HydrophobicContact CB-CD2 4.13Å; A196-L412 HydrophobicContact CB-CD1 4.37Å; A196-W414 HydrophobicContact CB-CZ2 4.24Å
197	R	97.7	Very high	95.7	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	162.9	170	-51.4	177.4	-89.1	-178.9	2.5	111.1	S181 Y182 E209 P276 T278	S181-R197 CarbonylContact O-C 3.41Å; S181-R197 VanDerWaalsContact O-CA 3.25Å; S181-R197 WeakPolarHBondContact O-CA 3.49Å; Y182-R197 HydrophobicContact CD1-CG 3.66Å; Y182-R197 HydrophobicContact CD2-CG 4.01Å; Y182-R197 HydrophobicContact CE1-CG 3.59Å; Y182-R197 HydrophobicContact CE2-CG 3.93Å; Y182-R197 HydrophobicContact CG-CG 3.89Å; R197-E209 IonicContact CZ-OE1 2.83Å; R197-E209 IonicContact NH1-OE1 2.9Å; R197-E209 PolarHBondContact NH1-OE1 2.82Å; R197-E209 IonicContact NH2-OE1 3.29Å; R197-P276 HydrophobicContact CB-CB 4.49Å; R197-P276 HydrophobicContact CB-CG 3.66Å; R197-P276 PolarHBondContact N-O 2.75Å; R197-P276 VanDerWaalsContact O-CD 3.29Å; R197-P276 WeakPolarHBondContact O-CD 3.32Å; R197-P276 WeakPolarHBondContact O-CG 3.32Å; R197-T278 PolarHBondContact NE-OG1 2.54Å
198	G	98.5	Very high	95.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-58.7	-51.6	171.5	0	0	0	0	0	111.8	S181 Y244	S181-G198 PolarHBondContact O-N 2.89Å; S181-G198 PolarHBondContact OG-N 2.86Å; G198-Y244 VanDerWaalsContact C-OH 3.29Å; G198-Y244 PolarHBondContact O-OH 2.84Å
199	L	98.5	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.			trans	-149	155.9	177.2	-60.9	171.3	0	0	0	111.3	I201 P212 L235 I240 Y244 L263 L272 G273 I274	L199-I201 HydrophobicContact CB-CG1 4.28Å; L199-P212 HydrophobicContact CB-CG 4.25Å; L199-L235 HydrophobicContact CD1-CD1 4.33Å; L199-L235 HydrophobicContact CD1-CD2 4.04Å; L199-L235 HydrophobicContact CG-CD1 4.27Å; L199-I240 HydrophobicContact CD1-CD1 4.06Å; L199-I240 HydrophobicContact CD1-CG2 3.58Å; L199-Y244 WeakPolarHBondContact CD2-OH 3.47Å; L199-Y244 VanDerWaalsContact CG-OH 3.29Å; L199-Y244 WeakPolarHBondContact CG-OH 3.14Å; L199-L263 HydrophobicContact CD1-CD1 4.36Å; L199-L263 HydrophobicContact CD1-CD2 4.17Å; L199-L263 HydrophobicContact CD2-CD1 3.66Å; L199-L263 HydrophobicContact CD2-CD2 4.29Å; L199-L272 HydrophobicContact CD1-CD1 4.08Å; L199-L272 HydrophobicContact CD2-CD1 4.09Å; L199-L272 HydrophobicContact CG-CD1 4.46Å; L199-G273 WeakPolarHBondContact CA-O 3.44Å; L199-I274 HydrophobicContact CD2-CD1 3.84Å
200	A	97.8	Very high	95.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132	161.9	0	0	0	0	0	108.4	G273 P276 F393	A200-G273 PolarHBondContact N-O 2.75Å; A200-G273 PolarHBondContact O-N 3.04Å; A200-P276 HydrophobicContact CB-CB 3.84Å; A200-P276 HydrophobicContact CB-CG 4.41Å; A200-F393 HydrophobicContact CB-CD1 3.92Å; A200-F393 HydrophobicContact CB-CE1 4.28Å; A200-F393 HydrophobicContact CB-CG 4.28Å
201	I	98	Very high	95.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.4	-177.2	-58.9	-179.5	0	0	0	108.8	L199 T203 E210 P212 I240 I269 Q271 L272	L199-I201 HydrophobicContact CB-CG1 4.28Å; I201-T203 PolarHBondContact O-N 2.87Å; I201-T203 VanDerWaalsContact O-N 3.12Å; I201-E210 HydrophobicContact CB-CB 3.92Å; I201-E210 HydrophobicContact CD1-CG 4.4Å; I201-E210 HydrophobicContact CG2-CB 3.79Å; I201-E210 HydrophobicContact CG2-CG 4.42Å; I201-E210 PolarHBondContact O-N 2.93Å; I201-P212 HydrophobicContact CD1-CG 3.46Å; I201-P212 VanDerWaalsContact CD1-CG 3.46Å; I201-P212 HydrophobicContact CG1-CG 4.16Å; I201-I240 HydrophobicContact CD1-CG2 3.46Å; I201-I240 VanDerWaalsContact CD1-CG2 3.46Å; I201-I269 HydrophobicContact CD1-CD1 4.46Å; I201-I269 HydrophobicContact CG2-CG1 4.5Å; I201-I269 HydrophobicContact CG2-CG2 3.82Å; I201-Q271 WeakPolarHBondContact CA-O 3.39Å; I201-L272 HydrophobicContact CG1-CD1 4.37Å
202	D	96.3	Very high	95.6	Very high	16 Å²	16	30.2 Å²	30.2	9%	0.086	15%	0.152	C	C	.	.	S	Bend	trans	54.8	32.7	175.1	-65.7	-17.7	0	0	0	113.2	Y204 T205 K270 Q271	D202-Y204 VanDerWaalsContact C-N 3.33Å; D202-Y204 PolarHBondContact O-N 2.82Å; D202-T205 HydrophobicContact CB-CG2 3.97Å; D202-T205 WeakPolarHBondContact CB-OG1 3.44Å; D202-T205 PolarHBondContact O-OG1 2.86Å; D202-T205 VanDerWaalsContact O-OG1 3.12Å; D202-K270 WeakPolarHBondContact OD1-CB 3.11Å; D202-K270 PolarHBondContact OD1-N 3.01Å; D202-K270 VanDerWaalsContact OD1-N 3.12Å; D202-Q271 PolarHBondContact N-O 2.82Å; D202-Q271 PolarHBondContact OD1-N 2.95Å
203	T	94.3	Very high	95.7	Very high	14 Å²	14	30.1 Å²	30.1	9%	0.086	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-34.5	-176.8	-62.3	0	0	0	0	113	I201 E209 M378 V391 F393	I201-T203 PolarHBondContact O-N 2.87Å; I201-T203 VanDerWaalsContact O-N 3.12Å; T203-E209 WeakPolarHBondContact CG2-OE1 3.34Å; T203-E209 PolarHBondContact OG1-OE1 3.08Å; T203-M378 HydrophobicContact CG2-CE 3.81Å; T203-M378 HydrophobicContact CG2-SD 3.79Å; T203-V391 HydrophobicContact CG2-CG1 4.33Å; T203-V391 HydrophobicContact CG2-CG2 4.49Å; T203-F393 HydrophobicContact CG2-CE1 4.45Å
204	Y	94	Very high	95.8	Very high	103 Å²	103	30 Å²	30	40%	0.404	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	76.3	175.2	-171.4	-104.5	0	0	0	110.1	D202 L324 F326 M378	D202-Y204 VanDerWaalsContact C-N 3.33Å; D202-Y204 PolarHBondContact O-N 2.82Å; Y204-L324 HydrophobicContact CD2-CD2 3.81Å; Y204-L324 HydrophobicContact CD2-CG 4.21Å; Y204-L324 HydrophobicContact CE2-CD2 3.61Å; Y204-L324 HydrophobicContact CE2-CG 3.85Å; Y204-F326 HydrophobicContact CD1-CB 3.47Å; Y204-F326 VanDerWaalsContact CD1-CB 3.47Å; Y204-F326 AromaticContact CD1-CD1 3.64Å; Y204-F326 HydrophobicContact CD1-CD1 3.64Å; Y204-F326 AromaticContact CD1-CD2 3.97Å; Y204-F326 HydrophobicContact CD1-CD2 3.97Å; Y204-F326 HydrophobicContact CD1-CE1 4.35Å; Y204-F326 AromaticContact CD1-CG 3.4Å; Y204-F326 HydrophobicContact CD1-CG 3.4Å; Y204-F326 VanDerWaalsContact CD1-CG 3.4Å; Y204-F326 HydrophobicContact CD2-CB 3.85Å; Y204-F326 HydrophobicContact CD2-CD2 4.48Å; Y204-F326 HydrophobicContact CD2-CG 4.33Å; Y204-F326 HydrophobicContact CE1-CB 3.41Å; Y204-F326 VanDerWaalsContact CE1-CB 3.41Å; Y204-F326 AromaticContact CE1-CD1 3.99Å; Y204-F326 HydrophobicContact CE1-CD1 3.99Å; Y204-F326 AromaticContact CE1-CG 3.83Å; Y204-F326 HydrophobicContact CE1-CG 3.83Å; Y204-F326 HydrophobicContact CE2-CB 3.8Å; Y204-F326 HydrophobicContact CG-CB 3.68Å; Y204-F326 HydrophobicContact CG-CD1 4.33Å; Y204-F326 AromaticContact CG-CD2 3.81Å; Y204-F326 HydrophobicContact CG-CD2 3.81Å; Y204-F326 AromaticContact CG-CG 3.68Å; Y204-F326 HydrophobicContact CG-CG 3.68Å; Y204-M378 HydrophobicContact CD2-CG 4.48Å; Y204-M378 HydrophobicContact CD2-SD 3.91Å; Y204-M378 HydrophobicContact CG-SD 4.31Å
205	T	92.3	Very high	95.8	Very high	46 Å²	46	31.4 Å²	31.4	28%	0.282	16%	0.159	S	C	.	.	S	Bend	trans	-142.6	177.5	179.9	67.6	0	0	0	0	110.5	D202 S207 K270 Q271	D202-T205 HydrophobicContact CB-CG2 3.97Å; D202-T205 WeakPolarHBondContact CB-OG1 3.44Å; D202-T205 PolarHBondContact O-OG1 2.86Å; D202-T205 VanDerWaalsContact O-OG1 3.12Å; T205-S207 PolarHBondContact O-N 3.03Å; T205-S207 PolarHBondContact OG1-N 2.82Å; T205-S207 VanDerWaalsContact OG1-N 3.12Å; T205-S207 PolarHBondContact OG1-O 2.9Å; T205-S207 PolarHBondContact OG1-OG 2.83Å; T205-K270 HydrophobicContact CG2-CB 4.07Å; T205-Q271 HydrophobicContact CG2-CB 3.86Å
206	D	90.8	Very high	95.8	Very high	136 Å²	136	30.9 Å²	30.9	73%	0.727	16%	0.156	S	C	*	.	S	Bend	trans	-73.3	-9	167.7	60.8	-28.6	0	0	0	113.3	K270	D206-K270 IonicContact OD1-NZ 2.76Å; D206-K270 PolarHBondContact OD1-NZ 2.75Å; D206-K270 IonicContact OD2-NZ 3.22Å; D206-K270 PolarHBondContact OD2-NZ 2.72Å
207	S	90.3	Very high	95.8	Very high	45 Å²	45	31 Å²	31	32%	0.315	16%	0.156	S	C	.	.	S	Bend	trans	-96.1	165.1	175.3	31.8	0	0	0	0	112.6	T205	T205-S207 PolarHBondContact O-N 3.03Å; T205-S207 PolarHBondContact OG1-N 2.82Å; T205-S207 VanDerWaalsContact OG1-N 3.12Å; T205-S207 PolarHBondContact OG1-O 2.9Å; T205-S207 PolarHBondContact OG1-OG 2.83Å
208	K	92	Very high	95.9	Very high	147 Å²	147	31.1 Å²	31.1	64%	0.639	16%	0.156	S	C	*	.	P	Polyproline II helix	trans	-73.8	130.5	175.2	-175.7	178.1	-171.1	169.4	0	110.2	M1 E210	M1-K208 WeakPolarHBondContact O-CE 3.2Å; K208-E210 PolarHBondContact O-N 3.24Å
209	E	95.9	Very high	95.9	Very high	24 Å²	24	31.1 Å²	31.1	11%	0.112	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-51.8	129.8	172.9	-175.2	175.5	-160.6	0	0	111.2	R3 R197 T203 F211	R3-E209 IonicContact CZ-OE1 3.02Å; R3-E209 IonicContact CZ-OE2 2.65Å; R3-E209 IonicContact NE-OE1 3.58Å; R3-E209 IonicContact NE-OE2 3.71Å; R3-E209 PolarHBondContact NE-OE2 2.93Å; R3-E209 IonicContact NH2-OE1 2.69Å; R3-E209 PolarHBondContact NH2-OE1 2.88Å; R3-E209 IonicContact NH2-OE2 3.8Å; R3-E209 PolarHBondContact NH2-OE2 3.41Å; R3-E209 VanDerWaalsContact NH2-OE2 3.17Å; R197-E209 IonicContact CZ-OE1 2.83Å; R197-E209 IonicContact NH1-OE1 2.9Å; R197-E209 PolarHBondContact NH1-OE1 2.82Å; R197-E209 IonicContact NH2-OE1 3.29Å; T203-E209 WeakPolarHBondContact CG2-OE1 3.34Å; T203-E209 PolarHBondContact OG1-OE1 3.08Å; E209-F211 HydrophobicContact CB-CE2 3.95Å; E209-F211 HydrophobicContact CG-CD2 4.15Å; E209-F211 HydrophobicContact CG-CE2 3.59Å; E209-F211 HydrophobicContact CG-CZ 3.85Å; E209-F211 WeakPolarHBondContact OE2-CZ 3.27Å
210	E	96	Very high	95.9	Very high	31 Å²	31	32.3 Å²	32.3	15%	0.145	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-99.1	136	175.1	179.2	177.5	150.5	0	0	109.5	I201 K208 P212 S237 A238 S239	I201-E210 HydrophobicContact CB-CB 3.92Å; I201-E210 HydrophobicContact CD1-CG 4.4Å; I201-E210 HydrophobicContact CG2-CB 3.79Å; I201-E210 HydrophobicContact CG2-CG 4.42Å; I201-E210 PolarHBondContact O-N 2.93Å; K208-E210 PolarHBondContact O-N 3.24Å; E210-P212 WeakPolarHBondContact O-CD 3.34Å; E210-S237 WeakPolarHBondContact OE1-CB 3.25Å; E210-S237 PolarHBondContact OE1-OG 3.45Å; E210-A238 PolarHBondContact OE1-N 2.87Å; E210-S239 PolarHBondContact OE1-N 3.12Å; E210-S239 VanDerWaalsContact OE2-CB 3.32Å; E210-S239 WeakPolarHBondContact OE2-CB 3.26Å; E210-S239 PolarHBondContact OE2-OG 3.12Å
211	F	95.3	Very high	95.9	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.096	17%	0.168	C	C	.	.			trans	-117.3	101.1	-178.4	-69.8	-98.6	0	0	0	108.4	M1 R3 A180 Y182 E209	M1-F211 HydrophobicContact CB-CD2 4.45Å; R3-F211 HydrophobicContact CB-CZ 4.04Å; R3-F211 HydrophobicContact CG-CZ 4.19Å; A180-F211 HydrophobicContact CB-CB 4.34Å; Y182-F211 HydrophobicContact CE2-CD1 4.15Å; Y182-F211 HydrophobicContact CE2-CE1 4.42Å; E209-F211 HydrophobicContact CB-CE2 3.95Å; E209-F211 HydrophobicContact CG-CD2 4.15Å; E209-F211 HydrophobicContact CG-CE2 3.59Å; E209-F211 HydrophobicContact CG-CZ 3.85Å; E209-F211 WeakPolarHBondContact OE2-CZ 3.27Å
212	P	96.9	Very high	95.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-64.8	145.8	176.1	-27.3	38.8	0	0	0	112.8	A180 S181 L199 I201 E210 L235	A180-P212 CarbonylContact C-O 3.55Å; A180-P212 VanDerWaalsContact C-O 3.26Å; A180-P212 WeakPolarHBondContact CB-O 3.36Å; S181-P212 WeakPolarHBondContact CB-O 3.47Å; S181-P212 PolarHBondContact N-O 3.15Å; S181-P212 PolarHBondContact OG-O 3.17Å; L199-P212 HydrophobicContact CB-CG 4.25Å; I201-P212 HydrophobicContact CD1-CG 3.46Å; I201-P212 VanDerWaalsContact CD1-CG 3.46Å; I201-P212 HydrophobicContact CG1-CG 4.16Å; E210-P212 WeakPolarHBondContact O-CD 3.34Å; P212-L235 HydrophobicContact CB-CD1 3.77Å; P212-L235 HydrophobicContact CB-CD2 3.71Å; P212-L235 HydrophobicContact CB-CG 3.71Å; P212-L235 HydrophobicContact CG-CD2 4.42Å
213	D	97	Very high	95.8	Very high	21 Å²	21	40.2 Å²	40.2	11%	0.112	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.4	178.3	-65.9	-69.1	0	0	0	110.6	R114 A180 T215 L235 D236	R114-D213 WeakPolarHBondContact CD-OD2 3.38Å; R114-D213 IonicContact CZ-OD2 2.66Å; R114-D213 IonicContact NE-OD2 3.82Å; R114-D213 IonicContact NH1-OD2 3.74Å; R114-D213 PolarHBondContact NH1-OD2 3.33Å; A180-D213 WeakPolarHBondContact CA-OD1 3.34Å; D213-T215 HydrophobicContact CB-CG2 4.09Å; D213-L235 VanDerWaalsContact O-CA 3.32Å; D213-L235 WeakPolarHBondContact O-CA 3.46Å; D213-D236 PolarHBondContact N-O 3.32Å; D213-D236 VanDerWaalsContact N-O 3.07Å; D213-D236 PolarHBondContact O-N 3.48Å
214	F	98	Very high	95.9	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	120.4	154.9	-68.9	-50.6	0	0	0	108.4	V116 F177 A180 S181 F183 F217 A233 L234 L235 Y244 F246	V116-F214 WeakPolarHBondContact CG2-O 3.03Å; F177-F214 HydrophobicContact CD1-CD2 4.25Å; F177-F214 HydrophobicContact CD1-CE2 4.16Å; F177-F214 HydrophobicContact CE1-CE2 4.25Å; A180-F214 PolarHBondContact O-N 2.85Å; S181-F214 VanDerWaalsContact CA-CD2 3.45Å; S181-F214 VanDerWaalsContact O-CE2 3.29Å; S181-F214 WeakPolarHBondContact O-CE2 3.31Å; F183-F214 HydrophobicContact CD1-CE2 4.13Å; F183-F214 HydrophobicContact CE1-CE2 4.5Å; F214-F217 HydrophobicContact CB-CE1 4.22Å; F214-F217 HydrophobicContact CB-CE2 3.82Å; F214-F217 HydrophobicContact CB-CZ 3.46Å; F214-F217 VanDerWaalsContact CB-CZ 3.46Å; F214-F217 HydrophobicContact CD2-CE1 4.19Å; F214-F217 AromaticContact CD2-CZ 3.68Å; F214-F217 HydrophobicContact CD2-CZ 3.68Å; F214-F217 HydrophobicContact CG-CE1 4.14Å; F214-F217 AromaticContact CG-CZ 3.7Å; F214-F217 HydrophobicContact CG-CZ 3.7Å; F214-A233 HydrophobicContact CD1-CB 3.53Å; F214-A233 HydrophobicContact CE1-CB 3.76Å; F214-A233 HydrophobicContact CG-CB 4.11Å; F214-A233 HydrophobicContact CZ-CB 4.49Å; F214-L234 CarbonylContact C-O 3.49Å; F214-L234 WeakPolarHBondContact CA-O 3.27Å; F214-L235 HydrophobicContact CD1-CB 4.02Å; F214-L235 HydrophobicContact CD1-CD1 4.49Å; F214-L235 HydrophobicContact CE1-CB 4.04Å; F214-L235 HydrophobicContact CE1-CD1 4.03Å; F214-Y244 HydrophobicContact CE1-CD1 4.39Å; F214-Y244 HydrophobicContact CE1-CD2 4Å; F214-Y244 HydrophobicContact CE1-CE2 4.35Å; F214-Y244 HydrophobicContact CE1-CG 4.06Å; F214-Y244 HydrophobicContact CZ-CD1 4.4Å; F214-Y244 HydrophobicContact CZ-CG 4.49Å; F214-F246 HydrophobicContact CE2-CZ 4.41Å; F214-F246 HydrophobicContact CZ-CE2 4.21Å; F214-F246 AromaticContact CZ-CZ 3.85Å; F214-F246 HydrophobicContact CZ-CZ 3.85Å
215	T	96.6	Very high	96.1	Very high	29 Å²	29	40.3 Å²	40.3	18%	0.178	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-18.8	-172.2	58	0	0	0	0	113.4	V116 R117 D213 L234 D236	V116-T215 WeakPolarHBondContact CA-O 3.17Å; R117-T215 PolarHBondContact N-O 3.06Å; D213-T215 HydrophobicContact CB-CG2 4.09Å; T215-L234 PolarHBondContact N-O 2.9Å; T215-L234 PolarHBondContact OG1-O 2.85Å; T215-D236 HydrophobicContact CG2-CB 4.04Å
216	A	98	Very high	96.4	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	145.8	175.2	0	0	0	0	0	111.1	R117 F119 W218 A233 L234	R117-A216 HydrophobicContact CB-CB 4.06Å; R117-A216 CarbonylContact O-C 3.46Å; R117-A216 VanDerWaalsContact O-CA 3.23Å; R117-A216 WeakPolarHBondContact O-CA 3.42Å; F119-A216 HydrophobicContact CE2-CB 4.2Å; A216-W218 HydrophobicContact CB-CE3 4.31Å; A216-W218 HydrophobicContact CB-CH2 3.39Å; A216-W218 HydrophobicContact CB-CZ2 4.23Å; A216-W218 HydrophobicContact CB-CZ3 3.44Å; A216-W218 VanDerWaalsContact CB-CZ3 3.44Å; A216-A233 WeakPolarHBondContact O-CA 3.15Å; A216-L234 HydrophobicContact CB-CB 4.24Å; A216-L234 PolarHBondContact O-N 3.48Å
217	F	98.8	Very high	96.7	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.9	172.4	-68.1	-79.8	0	0	0	112.1	V116 R117 M118 F119 F161 F177 F214 F219 V231 Y232 A233	V116-F217 HydrophobicContact CG1-CD2 3.41Å; V116-F217 VanDerWaalsContact CG1-CD2 3.41Å; V116-F217 HydrophobicContact CG1-CE2 3.64Å; R117-F217 PolarHBondContact O-N 3.02Å; M118-F217 CarbonylContact C-O 3.59Å; M118-F217 HydrophobicContact CE-CD2 4.16Å; M118-F217 HydrophobicContact SD-CB 3.95Å; M118-F217 HydrophobicContact SD-CD2 3.93Å; M118-F217 HydrophobicContact SD-CG 4.42Å; F119-F217 WeakPolarHBondContact CD2-O 3.41Å; F119-F217 PolarHBondContact N-O 3.18Å; F161-F217 HydrophobicContact CD1-CD1 4.43Å; F161-F217 HydrophobicContact CD1-CD2 4.03Å; F161-F217 HydrophobicContact CD1-CE1 4.46Å; F161-F217 HydrophobicContact CD1-CE2 4.09Å; F161-F217 HydrophobicContact CD1-CG 4.21Å; F161-F217 HydrophobicContact CD1-CZ 4.3Å; F161-F217 AromaticContact CE1-CD1 3.76Å; F161-F217 HydrophobicContact CE1-CD1 3.76Å; F161-F217 HydrophobicContact CE1-CD2 4.13Å; F161-F217 AromaticContact CE1-CE1 3.67Å; F161-F217 HydrophobicContact CE1-CE1 3.67Å; F161-F217 HydrophobicContact CE1-CE2 4.07Å; F161-F217 AromaticContact CE1-CG 3.99Å; F161-F217 HydrophobicContact CE1-CG 3.99Å; F161-F217 AromaticContact CE1-CZ 3.83Å; F161-F217 HydrophobicContact CE1-CZ 3.83Å; F177-F217 HydrophobicContact CB-CZ 4.24Å; F177-F217 AromaticContact CD1-CE1 3.89Å; F177-F217 HydrophobicContact CD1-CE1 3.89Å; F177-F217 AromaticContact CD1-CZ 3.81Å; F177-F217 HydrophobicContact CD1-CZ 3.81Å; F177-F217 HydrophobicContact CE1-CE1 4.33Å; F177-F217 HydrophobicContact CG-CZ 4.36Å; F214-F217 HydrophobicContact CB-CE1 4.22Å; F214-F217 HydrophobicContact CB-CE2 3.82Å; F214-F217 HydrophobicContact CB-CZ 3.46Å; F214-F217 VanDerWaalsContact CB-CZ 3.46Å; F214-F217 HydrophobicContact CD2-CE1 4.19Å; F214-F217 AromaticContact CD2-CZ 3.68Å; F214-F217 HydrophobicContact CD2-CZ 3.68Å; F214-F217 HydrophobicContact CG-CE1 4.14Å; F214-F217 AromaticContact CG-CZ 3.7Å; F214-F217 HydrophobicContact CG-CZ 3.7Å; F217-F219 HydrophobicContact CB-CD2 4.35Å; F217-F219 HydrophobicContact CB-CE2 3.51Å; F217-F219 HydrophobicContact CB-CZ 3.61Å; F217-F219 HydrophobicContact CG-CZ 4.22Å; F217-V231 HydrophobicContact CB-CG2 4.08Å; F217-V231 HydrophobicContact CD1-CG2 3.75Å; F217-V231 HydrophobicContact CG-CG2 4.31Å; F217-Y232 CarbonylContact C-O 3.53Å; F217-Y232 WeakPolarHBondContact CA-O 3.48Å; F217-A233 HydrophobicContact CD1-CB 3.47Å; F217-A233 VanDerWaalsContact CD1-CB 3.47Å; F217-A233 HydrophobicContact CE1-CB 3.3Å; F217-A233 HydrophobicContact CZ-CB 4.25Å
218	W	98.8	Very high	97.1	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.2	172.3	-67	-106.4	0	0	0	108.9	F45 L50 M53 F119 V121 A216 V231 Y232 L234	F45-W218 HydrophobicContact CD1-CB 4.13Å; F45-W218 AromaticContact CD1-CD1 3.86Å; F45-W218 HydrophobicContact CD1-CG 4.12Å; F45-W218 AromaticContact CD2-CD1 3.39Å; F45-W218 HydrophobicContact CD2-CD2 4.14Å; F45-W218 AromaticContact CD2-CE2 3.88Å; F45-W218 AromaticContact CD2-CG 3.88Å; F45-W218 HydrophobicContact CD2-CG 3.88Å; F45-W218 AromaticContact CD2-NE1 3.39Å; F45-W218 HydrophobicContact CE1-CB 3.54Å; F45-W218 AromaticContact CE1-CD1 3.95Å; F45-W218 AromaticContact CE1-CG 3.74Å; F45-W218 HydrophobicContact CE1-CG 3.74Å; F45-W218 HydrophobicContact CE2-CB 4.15Å; F45-W218 AromaticContact CE2-CD1 3.48Å; F45-W218 VanDerWaalsContact CE2-CD1 3.48Å; F45-W218 AromaticContact CE2-CD2 3.48Å; F45-W218 HydrophobicContact CE2-CD2 3.48Å; F45-W218 VanDerWaalsContact CE2-CD2 3.48Å; F45-W218 AromaticContact CE2-CE2 3.56Å; F45-W218 HydrophobicContact CE2-CE3 4.12Å; F45-W218 AromaticContact CE2-CG 3.47Å; F45-W218 HydrophobicContact CE2-CG 3.47Å; F45-W218 VanDerWaalsContact CE2-CG 3.47Å; F45-W218 HydrophobicContact CE2-CZ2 4.26Å; F45-W218 AromaticContact CE2-NE1 3.54Å; F45-W218 AromaticContact CG-CD1 3.58Å; F45-W218 HydrophobicContact CG-CG 4.18Å; F45-W218 AromaticContact CG-NE1 4Å; F45-W218 HydrophobicContact CZ-CB 3.55Å; F45-W218 AromaticContact CZ-CD1 3.77Å; F45-W218 AromaticContact CZ-CD2 3.7Å; F45-W218 HydrophobicContact CZ-CD2 3.7Å; F45-W218 HydrophobicContact CZ-CE3 4.18Å; F45-W218 AromaticContact CZ-CG 3.39Å; F45-W218 HydrophobicContact CZ-CG 3.39Å; L50-W218 HydrophobicContact CD1-CE3 4.11Å; L50-W218 HydrophobicContact CD1-CH2 3.7Å; L50-W218 HydrophobicContact CD1-CZ3 3.46Å; L50-W218 VanDerWaalsContact CD1-CZ3 3.46Å; L50-W218 HydrophobicContact CD2-CE3 4.49Å; L50-W218 HydrophobicContact CD2-CZ3 4.49Å; M53-W218 HydrophobicContact SD-CZ2 4.34Å; F119-W218 HydrophobicContact CB-CB 4.35Å; F119-W218 HydrophobicContact CB-CG 3.84Å; F119-W218 AromaticContact CD1-NE1 3.85Å; F119-W218 AromaticContact CD2-CD1 3.88Å; F119-W218 AromaticContact CD2-CD2 3.89Å; F119-W218 HydrophobicContact CD2-CD2 3.89Å; F119-W218 AromaticContact CD2-CE2 3.51Å; F119-W218 HydrophobicContact CD2-CG 4.1Å; F119-W218 AromaticContact CD2-CZ2 3.97Å; F119-W218 HydrophobicContact CD2-CZ2 3.97Å; F119-W218 AromaticContact CD2-NE1 3.5Å; F119-W218 HydrophobicContact CE2-CD2 4.45Å; F119-W218 AromaticContact CE2-CE2 3.73Å; F119-W218 HydrophobicContact CE2-CH2 4.36Å; F119-W218 AromaticContact CE2-CZ2 3.69Å; F119-W218 HydrophobicContact CE2-CZ2 3.69Å; F119-W218 AromaticContact CE2-NE1 3.94Å; F119-W218 AromaticContact CG-CD1 3.61Å; F119-W218 HydrophobicContact CG-CD2 4.4Å; F119-W218 AromaticContact CG-CE2 3.98Å; F119-W218 HydrophobicContact CG-CG 4.18Å; F119-W218 AromaticContact CG-NE1 3.44Å; F119-W218 HydrophobicContact CZ-CZ2 4.21Å; F119-W218 CarbonylContact O-C 3.51Å; F119-W218 WeakPolarHBondContact O-CA 3.49Å; V121-W218 HydrophobicContact CG2-CB 3.75Å; V121-W218 HydrophobicContact CG2-CG 4.38Å; A216-W218 HydrophobicContact CB-CE3 4.31Å; A216-W218 HydrophobicContact CB-CH2 3.39Å; A216-W218 HydrophobicContact CB-CZ2 4.23Å; A216-W218 HydrophobicContact CB-CZ3 3.44Å; A216-W218 VanDerWaalsContact CB-CZ3 3.44Å; W218-V231 CarbonylContact O-C 3.58Å; W218-V231 VanDerWaalsContact O-CA 3.29Å; W218-V231 WeakPolarHBondContact O-CA 3.03Å; W218-Y232 HydrophobicContact CB-CD2 4.08Å; W218-Y232 PolarHBondContact N-O 3.29Å; W218-Y232 WeakPolarHBondContact O-CD2 3.46Å; W218-Y232 PolarHBondContact O-N 3.22Å; W218-L234 HydrophobicContact CH2-CB 4.21Å; W218-L234 HydrophobicContact CZ3-CB 3.93Å
219	F	98.7	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.6	-174.5	-59.7	-92.4	0	0	0	109.6	L92 W93 F105 M118 F119 V121 F161 F217 T221 V231	L92-F219 HydrophobicContact CD2-CB 3.61Å; L92-F219 HydrophobicContact CD2-CD1 3.96Å; L92-F219 HydrophobicContact CD2-CD2 3.97Å; L92-F219 HydrophobicContact CD2-CG 3.58Å; W93-F219 HydrophobicContact CZ2-CB 4.3Å; F105-F219 AromaticContact CE1-CE2 3.9Å; F105-F219 HydrophobicContact CE1-CE2 3.9Å; F105-F219 AromaticContact CE1-CZ 3.99Å; F105-F219 HydrophobicContact CE1-CZ 3.99Å; F105-F219 HydrophobicContact CZ-CE2 4.39Å; M118-F219 HydrophobicContact CB-CE2 4.32Å; M118-F219 HydrophobicContact SD-CE2 3.68Å; M118-F219 HydrophobicContact SD-CZ 3.97Å; F119-F219 WeakPolarHBondContact O-CD2 3.36Å; F119-F219 PolarHBondContact O-N 3Å; V121-F219 PolarHBondContact N-O 2.85Å; F161-F219 HydrophobicContact CB-CE1 4.5Å; F161-F219 HydrophobicContact CB-CZ 4.14Å; F161-F219 AromaticContact CD1-CE1 3.83Å; F161-F219 HydrophobicContact CD1-CE1 3.83Å; F161-F219 AromaticContact CD1-CZ 3.56Å; F161-F219 HydrophobicContact CD1-CZ 3.56Å; F161-F219 AromaticContact CD2-CE1 3.83Å; F161-F219 HydrophobicContact CD2-CE1 3.83Å; F161-F219 HydrophobicContact CD2-CZ 4.26Å; F161-F219 AromaticContact CE1-CE1 3.89Å; F161-F219 HydrophobicContact CE1-CE1 3.89Å; F161-F219 AromaticContact CE1-CZ 3.94Å; F161-F219 HydrophobicContact CE1-CZ 3.94Å; F161-F219 AromaticContact CE2-CE1 3.91Å; F161-F219 HydrophobicContact CE2-CE1 3.91Å; F161-F219 AromaticContact CG-CE1 3.79Å; F161-F219 HydrophobicContact CG-CE1 3.79Å; F161-F219 AromaticContact CG-CZ 3.73Å; F161-F219 HydrophobicContact CG-CZ 3.73Å; F161-F219 AromaticContact CZ-CE1 3.93Å; F161-F219 HydrophobicContact CZ-CE1 3.93Å; F161-F219 HydrophobicContact CZ-CZ 4.45Å; F217-F219 HydrophobicContact CB-CD2 4.35Å; F217-F219 HydrophobicContact CB-CE2 3.51Å; F217-F219 HydrophobicContact CB-CZ 3.61Å; F217-F219 HydrophobicContact CG-CZ 4.22Å; F219-T221 PolarHBondContact O-N 2.91Å; F219-V231 HydrophobicContact CD1-CB 3.94Å; F219-V231 HydrophobicContact CD1-CG2 3.54Å; F219-V231 HydrophobicContact CE1-CB 4.17Å; F219-V231 HydrophobicContact CE1-CG2 3.46Å; F219-V231 VanDerWaalsContact CE1-CG2 3.46Å; F219-V231 HydrophobicContact CG-CG2 4.15Å; F219-V231 HydrophobicContact CZ-CG2 4.01Å
220	D	98.1	Very high	97.6	Very high	25 Å²	25	28.7 Å²	28.7	13%	0.134	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.5	167.3	-73	-20	0	0	0	108.4	V121 P123 V222 T230 Y232	V121-D220 WeakPolarHBondContact CG1-OD1 3.26Å; P123-D220 HydrophobicContact CB-CB 4.49Å; D220-V222 PolarHBondContact O-N 3.35Å; D220-T230 PolarHBondContact N-O 2.86Å; D220-T230 WeakPolarHBondContact OD2-CB 3.39Å; D220-Y232 WeakPolarHBondContact OD2-CE2 3.32Å; D220-Y232 PolarHBondContact OD2-OH 3.03Å
221	T	97.3	Very high	97.7	Very high	17 Å²	17	27.2 Å²	27.2	10%	0.104	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-60.6	123.7	175.8	-60	0	0	0	0	109.6	A32 V96 S120 V121 F219	A32-T221 HydrophobicContact CB-CG2 4.42Å; V96-T221 HydrophobicContact CG2-CG2 3.98Å; S120-T221 PolarHBondContact OG-OG1 3.19Å; V121-T221 PolarHBondContact O-N 3.05Å; V121-T221 PolarHBondContact O-OG1 3.36Å; F219-T221 PolarHBondContact O-N 2.91Å
222	V	96.9	Very high	97.9	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.042	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-67.2	144.7	-177.9	-66.3	0	0	0	0	111.2	W93 V96 L101 D220 F229	W93-V222 HydrophobicContact CB-CG2 3.92Å; W93-V222 HydrophobicContact CD2-CB 4.25Å; W93-V222 HydrophobicContact CD2-CG1 3.82Å; W93-V222 HydrophobicContact CD2-CG2 3.53Å; W93-V222 HydrophobicContact CE3-CB 4.34Å; W93-V222 HydrophobicContact CE3-CG1 3.69Å; W93-V222 HydrophobicContact CE3-CG2 3.68Å; W93-V222 HydrophobicContact CG-CG2 3.63Å; W93-V222 HydrophobicContact CH2-CG1 3.63Å; W93-V222 HydrophobicContact CZ2-CG1 3.69Å; W93-V222 HydrophobicContact CZ3-CG1 3.61Å; W93-V222 HydrophobicContact CZ3-CG2 4.46Å; V96-V222 HydrophobicContact CG1-CG2 4.37Å; V96-V222 HydrophobicContact CG2-CG2 4.3Å; L101-V222 HydrophobicContact CD1-CG1 4.42Å; D220-V222 PolarHBondContact O-N 3.35Å; V222-F229 HydrophobicContact CG1-CB 3.49Å; V222-F229 VanDerWaalsContact CG1-CB 3.49Å
223	K	95.6	Very high	98	Very high	158 Å²	158	27.1 Å²	27.1	69%	0.687	16%	0.16	S	C	*	.	P	Polyproline II helix	trans	-73.3	151.2	171	-63.9	179.6	-178.7	177.8	0	110.3	G225 A226	K223-G225 PolarHBondContact O-N 2.95Å; K223-A226 HydrophobicContact CB-CB 4.23Å; K223-A226 WeakPolarHBondContact O-CB 3.25Å; K223-A226 PolarHBondContact O-N 2.75Å
224	P	97.2	Very high	98.1	Very high	74 Å²	74	27.2 Å²	27.2	48%	0.481	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	135	166.1	-30.8	37.8	0	0	0	111.7	V96 E97 A226	V96-P224 HydrophobicContact CG1-CG 4.19Å; E97-P224 WeakPolarHBondContact O-CA 3.32Å; E97-P224 VanDerWaalsContact O-CB 3.24Å; E97-P224 WeakPolarHBondContact O-CB 3.39Å; P224-A226 PolarHBondContact O-N 2.73Å
225	G	97.7	Very high	98.1	Very high	45 Å²	45	26.9 Å²	26.9	46%	0.464	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-8.3	-179.2	0	0	0	0	0	116.3	N98 Q100 K223	N98-G225 PolarHBondContact O-N 3.03Å; N98-G225 VanDerWaalsContact O-N 3.11Å; Q100-G225 WeakPolarHBondContact CG-O 3.48Å; K223-G225 PolarHBondContact O-N 2.95Å
226	A	98	Very high	98.2	Very high	25 Å²	25	26.1 Å²	26.1	21%	0.207	15%	0.154	C	C	.	.			trans	-75.1	132.1	-174.3	0	0	0	0	0	112.7	L101 K223 P224	L101-A226 WeakPolarHBondContact CG-O 3.33Å; K223-A226 HydrophobicContact CB-CB 4.23Å; K223-A226 WeakPolarHBondContact O-CB 3.25Å; K223-A226 PolarHBondContact O-N 2.75Å; P224-A226 PolarHBondContact O-N 2.73Å
227	T	98.3	Very high	98.1	Very high	50 Å²	50	26 Å²	26	31%	0.307	15%	0.153	S	C	.	.	S	Bend	trans	-105.9	20.6	169.4	60.6	0	0	0	0	111.9	Q100 C250	Q100-T227 HydrophobicContact CB-CG2 3.82Å; Q100-T227 HydrophobicContact CG-CG2 4.33Å; T227-C250 PolarHBondContact O-N 3.03Å
228	T	98.7	Very high	98.1	Very high	49 Å²	49	26.8 Å²	26.8	30%	0.301	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.4	174.9	-63.1	0	0	0	0	108.3	T247 I248 H249	T228-T247 HydrophobicContact CG2-CG2 3.76Å; T228-I248 VanDerWaalsContact CA-O 3.23Å; T228-I248 WeakPolarHBondContact CA-O 3.21Å; T228-H249 VanDerWaalsContact CG2-ND1 3.33Å; T228-H249 WeakPolarHBondContact CG2-ND1 3.25Å; T228-H249 PolarHBondContact OG1-ND1 3.48Å
229	F	98.5	Very high	98	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.022	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158	175.9	72.2	-81.9	0	0	0	110.6	W93 L101 F161 V163 V222 V231 I248	W93-F229 HydrophobicContact CH2-CB 3.62Å; W93-F229 HydrophobicContact CH2-CD1 4.28Å; W93-F229 AromaticContact CH2-CD2 3.58Å; W93-F229 HydrophobicContact CH2-CD2 3.58Å; W93-F229 HydrophobicContact CH2-CE2 4.24Å; W93-F229 AromaticContact CH2-CG 3.58Å; W93-F229 HydrophobicContact CH2-CG 3.58Å; W93-F229 HydrophobicContact CZ2-CB 4.22Å; W93-F229 HydrophobicContact CZ2-CD2 4.28Å; W93-F229 HydrophobicContact CZ2-CG 4.46Å; W93-F229 HydrophobicContact CZ3-CB 4.29Å; W93-F229 HydrophobicContact CZ3-CG 4.27Å; L101-F229 HydrophobicContact CD1-CB 4.27Å; L101-F229 HydrophobicContact CD1-CD1 3.8Å; L101-F229 HydrophobicContact CD1-CG 4.48Å; F161-F229 HydrophobicContact CE2-CE2 4.45Å; V163-F229 HydrophobicContact CB-CE1 4.31Å; V163-F229 HydrophobicContact CB-CZ 4.28Å; V163-F229 HydrophobicContact CG1-CD1 4.47Å; V163-F229 HydrophobicContact CG1-CE1 3.9Å; V163-F229 HydrophobicContact CG1-CZ 4.3Å; V163-F229 HydrophobicContact CG2-CE1 4.03Å; V163-F229 HydrophobicContact CG2-CE2 4.15Å; V163-F229 HydrophobicContact CG2-CZ 3.56Å; V222-F229 HydrophobicContact CG1-CB 3.49Å; V222-F229 VanDerWaalsContact CG1-CB 3.49Å; F229-V231 HydrophobicContact CD2-CB 4.32Å; F229-V231 HydrophobicContact CD2-CG1 4.4Å; F229-V231 HydrophobicContact CE2-CB 4.08Å; F229-V231 HydrophobicContact CE2-CG1 3.8Å; F229-I248 HydrophobicContact CD1-CB 3.95Å; F229-I248 HydrophobicContact CD1-CG2 4.26Å; F229-I248 HydrophobicContact CE1-CB 3.5Å; F229-I248 HydrophobicContact CE1-CD1 4.23Å; F229-I248 HydrophobicContact CE1-CG1 4.33Å; F229-I248 HydrophobicContact CE1-CG2 3.48Å; F229-I248 VanDerWaalsContact CE1-CG2 3.48Å; F229-I248 HydrophobicContact CE2-CB 4.33Å; F229-I248 HydrophobicContact CE2-CD1 3.9Å; F229-I248 HydrophobicContact CE2-CG1 4.36Å; F229-I248 HydrophobicContact CZ-CB 3.72Å; F229-I248 HydrophobicContact CZ-CD1 3.51Å; F229-I248 HydrophobicContact CZ-CG1 4.02Å; F229-I248 HydrophobicContact CZ-CG2 3.87Å; F229-I248 PolarHBondContact N-O 2.99Å; F229-I248 VanDerWaalsContact N-O 3.07Å; F229-I248 PolarHBondContact O-N 3.36Å
230	T	98.8	Very high	98	Very high	24 Å²	24	27.1 Å²	27.1	15%	0.147	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133	173.8	-58.1	0	0	0	0	109.2	D220 Y232 K245 F246	D220-T230 PolarHBondContact N-O 2.86Å; D220-T230 WeakPolarHBondContact OD2-CB 3.39Å; T230-Y232 HydrophobicContact CG2-CD2 4.4Å; T230-Y232 HydrophobicContact CG2-CE1 4.02Å; T230-Y232 HydrophobicContact CG2-CE2 3.73Å; T230-Y232 VanDerWaalsContact CG2-CZ 3.49Å; T230-Y232 WeakPolarHBondContact CG2-OH 3.35Å; T230-K245 HydrophobicContact CG2-CG 4.03Å; T230-F246 CarbonylContact C-O 3.5Å; T230-F246 VanDerWaalsContact CA-O 3.28Å; T230-F246 WeakPolarHBondContact CA-O 3.5Å
231	V	98.9	Very high	98.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.2	172	60.7	0	0	0	0	109.1	F161 F217 W218 F219 F229 F246 I248	F161-V231 HydrophobicContact CE1-CG2 4.32Å; F161-V231 HydrophobicContact CZ-CG1 4.09Å; F161-V231 HydrophobicContact CZ-CG2 4.25Å; F217-V231 HydrophobicContact CB-CG2 4.08Å; F217-V231 HydrophobicContact CD1-CG2 3.75Å; F217-V231 HydrophobicContact CG-CG2 4.31Å; W218-V231 CarbonylContact O-C 3.58Å; W218-V231 VanDerWaalsContact O-CA 3.29Å; W218-V231 WeakPolarHBondContact O-CA 3.03Å; F219-V231 HydrophobicContact CD1-CB 3.94Å; F219-V231 HydrophobicContact CD1-CG2 3.54Å; F219-V231 HydrophobicContact CE1-CB 4.17Å; F219-V231 HydrophobicContact CE1-CG2 3.46Å; F219-V231 VanDerWaalsContact CE1-CG2 3.46Å; F219-V231 HydrophobicContact CG-CG2 4.15Å; F219-V231 HydrophobicContact CZ-CG2 4.01Å; F229-V231 HydrophobicContact CD2-CB 4.32Å; F229-V231 HydrophobicContact CD2-CG1 4.4Å; F229-V231 HydrophobicContact CE2-CB 4.08Å; F229-V231 HydrophobicContact CE2-CG1 3.8Å; V231-F246 HydrophobicContact CG1-CB 3.77Å; V231-F246 HydrophobicContact CG1-CD2 4.28Å; V231-F246 HydrophobicContact CG1-CG 4.35Å; V231-F246 PolarHBondContact N-O 2.9Å; V231-F246 PolarHBondContact O-N 3.04Å; V231-I248 HydrophobicContact CG1-CD1 3.94Å
232	Y	98.9	Very high	98.1	Very high	22 Å²	22	25.1 Å²	25.1	9%	0.086	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	146	176.2	-47.3	-96.9	0	0	0	109.2	F45 F47 F217 W218 D220 T230 Y244 K245	F45-Y232 HydrophobicContact CE1-CD1 4.49Å; F45-Y232 AromaticContact CE1-CD2 3.5Å; F45-Y232 HydrophobicContact CE1-CD2 3.5Å; F45-Y232 AromaticContact CE1-CE2 3.89Å; F45-Y232 HydrophobicContact CE1-CE2 3.89Å; F45-Y232 AromaticContact CE1-CG 3.86Å; F45-Y232 HydrophobicContact CE1-CG 3.86Å; F45-Y232 AromaticContact CZ-CD2 3.97Å; F45-Y232 HydrophobicContact CZ-CD2 3.97Å; F45-Y232 AromaticContact CZ-CG 3.88Å; F45-Y232 HydrophobicContact CZ-CG 3.88Å; F47-Y232 HydrophobicContact CB-CD1 4.15Å; F47-Y232 HydrophobicContact CB-CE1 3.9Å; F47-Y232 AromaticContact CD2-CD1 3.75Å; F47-Y232 HydrophobicContact CD2-CD1 3.75Å; F47-Y232 HydrophobicContact CD2-CE1 4.29Å; F47-Y232 HydrophobicContact CG-CD1 4.21Å; F47-Y232 HydrophobicContact CG-CE1 4.29Å; F217-Y232 CarbonylContact C-O 3.53Å; F217-Y232 WeakPolarHBondContact CA-O 3.48Å; W218-Y232 HydrophobicContact CB-CD2 4.08Å; W218-Y232 PolarHBondContact N-O 3.29Å; W218-Y232 WeakPolarHBondContact O-CD2 3.46Å; W218-Y232 PolarHBondContact O-N 3.22Å; D220-Y232 WeakPolarHBondContact OD2-CE2 3.32Å; D220-Y232 PolarHBondContact OD2-OH 3.03Å; T230-Y232 HydrophobicContact CG2-CD2 4.4Å; T230-Y232 HydrophobicContact CG2-CE1 4.02Å; T230-Y232 HydrophobicContact CG2-CE2 3.73Å; T230-Y232 VanDerWaalsContact CG2-CZ 3.49Å; T230-Y232 WeakPolarHBondContact CG2-OH 3.35Å; Y232-Y244 CarbonylContact C-O 3.6Å; Y232-Y244 WeakPolarHBondContact CA-O 3.38Å; Y232-K245 HydrophobicContact CD1-CB 3.83Å; Y232-K245 HydrophobicContact CD1-CD 4.34Å; Y232-K245 HydrophobicContact CD1-CG 3.78Å; Y232-K245 HydrophobicContact CE1-CB 4.08Å; Y232-K245 HydrophobicContact CE1-CD 3.72Å; Y232-K245 HydrophobicContact CE1-CG 3.57Å
233	A	98.9	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.1	-177.8	0	0	0	0	0	112.3	F214 A216 F217 Y244 F246	F214-A233 HydrophobicContact CD1-CB 3.53Å; F214-A233 HydrophobicContact CE1-CB 3.76Å; F214-A233 HydrophobicContact CG-CB 4.11Å; F214-A233 HydrophobicContact CZ-CB 4.49Å; A216-A233 WeakPolarHBondContact O-CA 3.15Å; F217-A233 HydrophobicContact CD1-CB 3.47Å; F217-A233 VanDerWaalsContact CD1-CB 3.47Å; F217-A233 HydrophobicContact CE1-CB 3.3Å; F217-A233 HydrophobicContact CZ-CB 4.25Å; A233-Y244 PolarHBondContact N-O 2.73Å; A233-Y244 PolarHBondContact O-N 3.4Å; A233-F246 HydrophobicContact CB-CE2 3.95Å
234	L	98.8	Very high	98.4	Very high	22 Å²	22	17.2 Å²	17.2	12%	0.115	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.9	169.1	-176	62.9	0	0	0	109.6	L50 A54 L57 F214 T215 A216 W218	L50-L234 HydrophobicContact CD1-CB 3.98Å; L50-L234 HydrophobicContact CD1-CD1 4.11Å; A54-L234 HydrophobicContact CB-CD1 3.83Å; L57-L234 HydrophobicContact CD2-CD1 4.45Å; L57-L234 HydrophobicContact CD2-CD2 4.22Å; L57-L234 HydrophobicContact CD2-CG 4.48Å; F214-L234 CarbonylContact C-O 3.49Å; F214-L234 WeakPolarHBondContact CA-O 3.27Å; T215-L234 PolarHBondContact N-O 2.9Å; T215-L234 PolarHBondContact OG1-O 2.85Å; A216-L234 HydrophobicContact CB-CB 4.24Å; A216-L234 PolarHBondContact O-N 3.48Å; W218-L234 HydrophobicContact CH2-CB 4.21Å; W218-L234 HydrophobicContact CZ3-CB 3.93Å
235	L	98.7	Very high	98.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.8	173.6	-178.7	147.4	0	0	0	110.1	L199 P212 D213 F214 I240 T241 G242 Y244	L199-L235 HydrophobicContact CD1-CD1 4.33Å; L199-L235 HydrophobicContact CD1-CD2 4.04Å; L199-L235 HydrophobicContact CG-CD1 4.27Å; P212-L235 HydrophobicContact CB-CD1 3.77Å; P212-L235 HydrophobicContact CB-CD2 3.71Å; P212-L235 HydrophobicContact CB-CG 3.71Å; P212-L235 HydrophobicContact CG-CD2 4.42Å; D213-L235 VanDerWaalsContact O-CA 3.32Å; D213-L235 WeakPolarHBondContact O-CA 3.46Å; F214-L235 HydrophobicContact CD1-CB 4.02Å; F214-L235 HydrophobicContact CD1-CD1 4.49Å; F214-L235 HydrophobicContact CE1-CB 4.04Å; F214-L235 HydrophobicContact CE1-CD1 4.03Å; L235-I240 HydrophobicContact CD2-CG2 4.15Å; L235-T241 CarbonylContact O-C 3.53Å; L235-T241 VanDerWaalsContact O-CA 3.24Å; L235-T241 WeakPolarHBondContact O-CA 3.44Å; L235-G242 PolarHBondContact N-O 2.87Å; L235-G242 PolarHBondContact O-N 2.62Å; L235-Y244 HydrophobicContact CB-CD2 4.13Å; L235-Y244 HydrophobicContact CB-CE2 3.87Å; L235-Y244 HydrophobicContact CD1-CE2 3.74Å; L235-Y244 HydrophobicContact CG-CE2 4.35Å
236	D	98.2	Very high	98.5	Very high	13 Å²	13	14.4 Å²	14.4	7%	0.07	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.9	175.5	-176.8	34.8	0	0	0	110.9	L57 D213 T215 R266	L57-D236 HydrophobicContact CD2-CB 3.8Å; D213-D236 PolarHBondContact N-O 3.32Å; D213-D236 VanDerWaalsContact N-O 3.07Å; D213-D236 PolarHBondContact O-N 3.48Å; T215-D236 HydrophobicContact CG2-CB 4.04Å; D236-R266 IonicContact OD1-CZ 2.79Å; D236-R266 IonicContact OD1-NH1 2.86Å; D236-R266 PolarHBondContact OD1-NH1 2.78Å; D236-R266 IonicContact OD1-NH2 3.5Å; D236-R266 PolarHBondContact OD1-NH2 2.97Å
237	S	97.3	Very high	98.6	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.014	8%	0.084	C	C	.	.			trans	-158.8	167.9	-180	84.1	0	0	0	0	111.4	E210 S239 I240 R266	E210-S237 WeakPolarHBondContact OE1-CB 3.25Å; E210-S237 PolarHBondContact OE1-OG 3.45Å; S237-S239 PolarHBondContact O-N 2.76Å; S237-I240 PolarHBondContact N-O 3.05Å; S237-I240 WeakPolarHBondContact OG-CG2 3.35Å; S237-I240 PolarHBondContact OG-N 2.91Å; S237-I240 PolarHBondContact OG-O 3.33Å; S237-I240 VanDerWaalsContact OG-O 3.06Å; S237-R266 PolarHBondContact O-NH1 2.89Å
238	A	97.2	Very high	98.6	Very high	19 Å²	19	12.4 Å²	12.4	16%	0.157	7%	0.069	C	C	.	.	S	Bend	trans	-54	-29.7	-175.7	0	0	0	0	0	114.9	W62 E210 R266	W62-A238 HydrophobicContact CD2-CB 3.9Å; W62-A238 HydrophobicContact CE3-CB 3.59Å; W62-A238 HydrophobicContact CG-CB 4.32Å; W62-A238 HydrophobicContact CZ3-CB 4.08Å; E210-A238 PolarHBondContact OE1-N 2.87Å; A238-R266 WeakPolarHBondContact O-CD 3.37Å
239	S	97.9	Very high	98.6	Very high	12 Å²	12	12 Å²	12	8%	0.084	6%	0.064	C	C	.	.	S	Bend	trans	-117.8	-15.3	-172	-52.7	0	0	0	0	114.7	E210 S237 R266 K267	E210-S239 PolarHBondContact OE1-N 3.12Å; E210-S239 VanDerWaalsContact OE2-CB 3.32Å; E210-S239 WeakPolarHBondContact OE2-CB 3.26Å; E210-S239 PolarHBondContact OE2-OG 3.12Å; S237-S239 PolarHBondContact O-N 2.76Å; S239-R266 WeakPolarHBondContact O-CA 3.35Å; S239-R266 WeakPolarHBondContact O-CB 3.31Å; S239-R266 PolarHBondContact O-N 2.78Å; S239-K267 PolarHBondContact O-N 3.5Å
240	I	98.6	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.9	-178.3	-159	163.3	0	0	0	112.2	L199 I201 L235 S237 L263 Y264 I269 L272	L199-I240 HydrophobicContact CD1-CD1 4.06Å; L199-I240 HydrophobicContact CD1-CG2 3.58Å; I201-I240 HydrophobicContact CD1-CG2 3.46Å; I201-I240 VanDerWaalsContact CD1-CG2 3.46Å; L235-I240 HydrophobicContact CD2-CG2 4.15Å; S237-I240 PolarHBondContact N-O 3.05Å; S237-I240 WeakPolarHBondContact OG-CG2 3.35Å; S237-I240 PolarHBondContact OG-N 2.91Å; S237-I240 PolarHBondContact OG-O 3.33Å; S237-I240 VanDerWaalsContact OG-O 3.06Å; I240-L263 HydrophobicContact CD1-CB 3.93Å; I240-L263 HydrophobicContact CG1-CB 4.43Å; I240-Y264 WeakPolarHBondContact CA-O 3.44Å; I240-Y264 VanDerWaalsContact CG1-O 3.31Å; I240-Y264 WeakPolarHBondContact CG1-O 3.42Å; I240-I269 HydrophobicContact CB-CD1 3.95Å; I240-I269 HydrophobicContact CD1-CD1 4.06Å; I240-I269 HydrophobicContact CG1-CD1 4.49Å; I240-I269 HydrophobicContact CG2-CD1 4.45Å; I240-L272 HydrophobicContact CD1-CD1 4.07Å; I240-L272 HydrophobicContact CD1-CD2 4.36Å
241	T	98.9	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	163.9	165.7	65.4	0	0	0	0	109.7	A54 L57 A58 L235 L263 Y264	A54-T241 WeakPolarHBondContact O-CB 3.42Å; A54-T241 PolarHBondContact O-OG1 2.76Å; L57-T241 HydrophobicContact CB-CG2 4.03Å; L57-T241 HydrophobicContact CD2-CG2 3.98Å; L57-T241 HydrophobicContact CG-CG2 3.83Å; A58-T241 HydrophobicContact CB-CG2 4.14Å; L235-T241 CarbonylContact O-C 3.53Å; L235-T241 VanDerWaalsContact O-CA 3.24Å; L235-T241 WeakPolarHBondContact O-CA 3.44Å; T241-L263 WeakPolarHBondContact O-CA 3.37Å; T241-Y264 PolarHBondContact N-O 2.87Å; T241-Y264 PolarHBondContact O-N 3.48Å
242	G	98.8	Very high	98.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	151.1	173.6	0	0	0	0	0	114.6	L235 H262	L235-G242 PolarHBondContact N-O 2.87Å; L235-G242 PolarHBondContact O-N 2.62Å; G242-H262 CarbonylContact C-O 3.5Å; G242-H262 WeakPolarHBondContact CA-O 3.5Å
243	A	98.9	Very high	98.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.3	168.9	0	0	0	0	0	108.3	F47 L50 Q51 A54 N261 H262	F47-A243 HydrophobicContact CE2-CB 3.93Å; F47-A243 HydrophobicContact CZ-CB 4.46Å; L50-A243 HydrophobicContact CB-CB 4.39Å; L50-A243 HydrophobicContact CD2-CB 4.2Å; L50-A243 HydrophobicContact CG-CB 3.79Å; Q51-A243 HydrophobicContact CB-CB 4.46Å; Q51-A243 HydrophobicContact CG-CB 4.04Å; A54-A243 HydrophobicContact CB-CB 4.02Å; A243-N261 CarbonylContact O-C 3.49Å; A243-N261 VanDerWaalsContact O-CA 3.22Å; A243-N261 WeakPolarHBondContact O-CA 3.11Å; A243-H262 PolarHBondContact N-O 2.77Å; A243-H262 PolarHBondContact O-N 2.88Å
244	Y	98.9	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141	178.9	-74.5	-115.1	0	0	0	110.1	G198 L199 F214 Y232 A233 L235 F246 V259 E260 N261 L263	G198-Y244 VanDerWaalsContact C-OH 3.29Å; G198-Y244 PolarHBondContact O-OH 2.84Å; L199-Y244 WeakPolarHBondContact CD2-OH 3.47Å; L199-Y244 VanDerWaalsContact CG-OH 3.29Å; L199-Y244 WeakPolarHBondContact CG-OH 3.14Å; F214-Y244 HydrophobicContact CE1-CD1 4.39Å; F214-Y244 HydrophobicContact CE1-CD2 4Å; F214-Y244 HydrophobicContact CE1-CE2 4.35Å; F214-Y244 HydrophobicContact CE1-CG 4.06Å; F214-Y244 HydrophobicContact CZ-CD1 4.4Å; F214-Y244 HydrophobicContact CZ-CG 4.49Å; Y232-Y244 CarbonylContact C-O 3.6Å; Y232-Y244 WeakPolarHBondContact CA-O 3.38Å; A233-Y244 PolarHBondContact N-O 2.73Å; A233-Y244 PolarHBondContact O-N 3.4Å; L235-Y244 HydrophobicContact CB-CD2 4.13Å; L235-Y244 HydrophobicContact CB-CE2 3.87Å; L235-Y244 HydrophobicContact CD1-CE2 3.74Å; L235-Y244 HydrophobicContact CG-CE2 4.35Å; Y244-F246 VanDerWaalsContact CB-CE2 3.48Å; Y244-F246 HydrophobicContact CD1-CE1 4.47Å; Y244-F246 HydrophobicContact CD1-CE2 4.04Å; Y244-F246 AromaticContact CD1-CZ 3.66Å; Y244-F246 HydrophobicContact CD1-CZ 3.66Å; Y244-F246 HydrophobicContact CG-CE2 4.12Å; Y244-F246 HydrophobicContact CG-CZ 4.2Å; Y244-V259 HydrophobicContact CD1-CG1 3.92Å; Y244-V259 HydrophobicContact CE1-CG1 4.4Å; Y244-E260 CarbonylContact C-O 3.54Å; Y244-E260 WeakPolarHBondContact CA-O 3.34Å; Y244-N261 HydrophobicContact CD1-CB 3.82Å; Y244-N261 HydrophobicContact CD2-CB 4.11Å; Y244-N261 HydrophobicContact CE1-CB 3.77Å; Y244-N261 HydrophobicContact CE2-CB 4.01Å; Y244-N261 HydrophobicContact CG-CB 3.99Å; Y244-L263 HydrophobicContact CE2-CD2 3.77Å
245	K	98.9	Very high	98.2	Very high	59 Å²	59	26.3 Å²	26.3	26%	0.257	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.9	165.6	177.4	-177.5	-175.3	-178.1	0	108	F47 T230 Y232 V259 E260	F47-K245 HydrophobicContact CD1-CB 4.4Å; F47-K245 HydrophobicContact CD1-CD 4.43Å; F47-K245 HydrophobicContact CD2-CB 4.03Å; F47-K245 HydrophobicContact CE1-CB 4.17Å; F47-K245 HydrophobicContact CE2-CB 3.79Å; F47-K245 HydrophobicContact CG-CB 4.33Å; F47-K245 HydrophobicContact CZ-CB 3.86Å; T230-K245 HydrophobicContact CG2-CG 4.03Å; Y232-K245 HydrophobicContact CD1-CB 3.83Å; Y232-K245 HydrophobicContact CD1-CD 4.34Å; Y232-K245 HydrophobicContact CD1-CG 3.78Å; Y232-K245 HydrophobicContact CE1-CB 4.08Å; Y232-K245 HydrophobicContact CE1-CD 3.72Å; Y232-K245 HydrophobicContact CE1-CG 3.57Å; K245-V259 WeakPolarHBondContact O-CA 3.34Å; K245-E260 HydrophobicContact CB-CB 4.36Å; K245-E260 PolarHBondContact N-O 3.17Å; K245-E260 PolarHBondContact O-N 2.73Å
246	F	98.9	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.9	173.5	-59.4	-95.5	0	0	0	108.6	F177 F183 F214 T230 V231 A233 Y244 I248 D258 V259	F177-F246 HydrophobicContact CE1-CD1 4.48Å; F177-F246 HydrophobicContact CE1-CD2 4.49Å; F177-F246 HydrophobicContact CE1-CE1 4.14Å; F177-F246 HydrophobicContact CE1-CE2 4.13Å; F177-F246 AromaticContact CE1-CZ 3.96Å; F177-F246 HydrophobicContact CE1-CZ 3.96Å; F177-F246 HydrophobicContact CZ-CD1 4.15Å; F177-F246 HydrophobicContact CZ-CE1 4.18Å; F177-F246 HydrophobicContact CZ-CG 4.39Å; F177-F246 HydrophobicContact CZ-CZ 4.43Å; F183-F246 HydrophobicContact CE1-CE1 4.17Å; F183-F246 HydrophobicContact CE1-CZ 4.37Å; F183-F246 HydrophobicContact CE2-CE1 4.19Å; F183-F246 AromaticContact CZ-CE1 3.92Å; F183-F246 HydrophobicContact CZ-CE1 3.92Å; F214-F246 HydrophobicContact CE2-CZ 4.41Å; F214-F246 HydrophobicContact CZ-CE2 4.21Å; F214-F246 AromaticContact CZ-CZ 3.85Å; F214-F246 HydrophobicContact CZ-CZ 3.85Å; T230-F246 CarbonylContact C-O 3.5Å; T230-F246 VanDerWaalsContact CA-O 3.28Å; T230-F246 WeakPolarHBondContact CA-O 3.5Å; V231-F246 HydrophobicContact CG1-CB 3.77Å; V231-F246 HydrophobicContact CG1-CD2 4.28Å; V231-F246 HydrophobicContact CG1-CG 4.35Å; V231-F246 PolarHBondContact N-O 2.9Å; V231-F246 PolarHBondContact O-N 3.04Å; A233-F246 HydrophobicContact CB-CE2 3.95Å; Y244-F246 VanDerWaalsContact CB-CE2 3.48Å; Y244-F246 HydrophobicContact CD1-CE1 4.47Å; Y244-F246 HydrophobicContact CD1-CE2 4.04Å; Y244-F246 AromaticContact CD1-CZ 3.66Å; Y244-F246 HydrophobicContact CD1-CZ 3.66Å; Y244-F246 HydrophobicContact CG-CE2 4.12Å; Y244-F246 HydrophobicContact CG-CZ 4.2Å; F246-I248 HydrophobicContact CB-CD1 3.94Å; F246-I248 HydrophobicContact CB-CG1 3.83Å; F246-D258 CarbonylContact C-O 3.5Å; F246-D258 VanDerWaalsContact CA-O 3.31Å; F246-D258 WeakPolarHBondContact CA-O 3.34Å; F246-V259 HydrophobicContact CD1-CB 4.47Å; F246-V259 HydrophobicContact CD1-CG1 4.16Å; F246-V259 HydrophobicContact CD1-CG2 3.72Å; F246-V259 HydrophobicContact CE1-CG1 3.86Å; F246-V259 HydrophobicContact CE1-CG2 3.86Å; F246-V259 HydrophobicContact CZ-CG1 4.36Å
247	T	98.9	Very high	98.3	Very high	33 Å²	33	26.2 Å²	26.2	20%	0.202	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	111.8	163.1	-50.9	0	0	0	0	107.4	T228 M257 D258	T228-T247 HydrophobicContact CG2-CG2 3.76Å; T247-M257 WeakPolarHBondContact O-CA 3.38Å; T247-D258 PolarHBondContact N-O 3.36Å; T247-D258 PolarHBondContact O-N 2.91Å
248	I	98.9	Very high	98.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.7	-167.6	-55.4	-171.7	0	0	0	108.8	V175 F177 T228 F229 V231 F246 V255 M257	V175-I248 HydrophobicContact CG1-CD1 4.43Å; V175-I248 HydrophobicContact CG2-CG2 4.03Å; F177-I248 HydrophobicContact CE2-CD1 4Å; F177-I248 HydrophobicContact CZ-CD1 4.14Å; T228-I248 VanDerWaalsContact CA-O 3.23Å; T228-I248 WeakPolarHBondContact CA-O 3.21Å; F229-I248 HydrophobicContact CD1-CB 3.95Å; F229-I248 HydrophobicContact CD1-CG2 4.26Å; F229-I248 HydrophobicContact CE1-CB 3.5Å; F229-I248 HydrophobicContact CE1-CD1 4.23Å; F229-I248 HydrophobicContact CE1-CG1 4.33Å; F229-I248 HydrophobicContact CE1-CG2 3.48Å; F229-I248 VanDerWaalsContact CE1-CG2 3.48Å; F229-I248 HydrophobicContact CE2-CB 4.33Å; F229-I248 HydrophobicContact CE2-CD1 3.9Å; F229-I248 HydrophobicContact CE2-CG1 4.36Å; F229-I248 HydrophobicContact CZ-CB 3.72Å; F229-I248 HydrophobicContact CZ-CD1 3.51Å; F229-I248 HydrophobicContact CZ-CG1 4.02Å; F229-I248 HydrophobicContact CZ-CG2 3.87Å; F229-I248 PolarHBondContact N-O 2.99Å; F229-I248 VanDerWaalsContact N-O 3.07Å; F229-I248 PolarHBondContact O-N 3.36Å; V231-I248 HydrophobicContact CG1-CD1 3.94Å; F246-I248 HydrophobicContact CB-CD1 3.94Å; F246-I248 HydrophobicContact CB-CG1 3.83Å; I248-V255 HydrophobicContact CG2-CG1 3.93Å; I248-M257 HydrophobicContact CB-CG 4.25Å; I248-M257 HydrophobicContact CD1-CE 4.15Å; I248-M257 HydrophobicContact CD1-CG 4.2Å; I248-M257 HydrophobicContact CD1-SD 3.85Å; I248-M257 HydrophobicContact CG1-CB 4.42Å; I248-M257 HydrophobicContact CG1-CG 3.81Å; I248-M257 HydrophobicContact CG1-SD 4.14Å; I248-M257 HydrophobicContact CG2-CE 4.18Å; I248-M257 HydrophobicContact CG2-CG 3.96Å
249	H	98.8	Very high	98.4	Very high	42 Å²	42	27 Å²	27	19%	0.194	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	107.1	177.7	-51.7	-79.9	0	0	0	109.7	T228 E251 V255 I256 D258	T228-H249 VanDerWaalsContact CG2-ND1 3.33Å; T228-H249 WeakPolarHBondContact CG2-ND1 3.25Å; T228-H249 PolarHBondContact OG1-ND1 3.48Å; H249-E251 HydrophobicContact CB-CG 4.23Å; H249-E251 PolarHBondContact O-N 3.1Å; H249-V255 WeakPolarHBondContact O-CA 3.29Å; H249-I256 HydrophobicContact CB-CB 4.19Å; H249-I256 PolarHBondContact N-O 3.2Å; H249-I256 PolarHBondContact O-N 2.77Å; H249-D258 IonicContact NE2-OD2 3.57Å; H249-D258 PolarHBondContact NE2-OD2 3.14Å
250	C	98.6	Very high	98.5	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	76.4	175.3	-57.6	0	0	0	0	109.5	L101 K165 T227	L101-C250 HydrophobicContact CD2-CB 3.81Å; K165-C250 HydrophobicContact CD-CB 4.06Å; K165-C250 WeakPolarHBondContact CD-O 3.49Å; K165-C250 WeakPolarHBondContact CE-O 3.46Å; K165-C250 PolarHBondContact NZ-O 2.89Å; T227-C250 PolarHBondContact O-N 3.03Å
251	E	98.1	Very high	98.5	Very high	80 Å²	80	29.1 Å²	29.1	37%	0.374	14%	0.143	S	C	.	.			trans	-71.4	177.2	-178.6	-55.8	-170	165.2	0	0	112.1	K165 H249 Q254 I256	K165-E251 PolarHBondContact NZ-O 3.11Å; H249-E251 HydrophobicContact CB-CG 4.23Å; H249-E251 PolarHBondContact O-N 3.1Å; E251-Q254 CarbonylContact C-O 3.47Å; E251-Q254 WeakPolarHBondContact CA-O 3.22Å; E251-Q254 HydrophobicContact CB-CG 4.02Å; E251-Q254 WeakPolarHBondContact CB-O 3.49Å; E251-Q254 HydrophobicContact CG-CG 4.41Å; E251-Q254 PolarHBondContact N-O 2.93Å; E251-Q254 VanDerWaalsContact OE2-CG 3.27Å; E251-Q254 WeakPolarHBondContact OE2-CG 3.36Å; E251-Q254 PolarHBondContact OE2-NE2 3.49Å; E251-I256 WeakPolarHBondContact OE1-CD1 3.46Å
252	K	95.4	Very high	98.5	Very high	190 Å²	190	31.2 Å²	31.2	83%	0.826	15%	0.152	S	C	*	.	S	Bend	trans	-67.3	-40.4	-178	-176.5	178.3	174.8	-175.9	0	112.3
253	S	96.3	Very high	98.5	Very high	57 Å²	57	31.2 Å²	31.2	40%	0.399	15%	0.152	S	C	.	.	S	Bend	trans	-114.1	-1.2	-171.8	55.5	0	0	0	0	114.6	D187 D188	D187-S253 WeakPolarHBondContact CB-O 3.45Å; D188-S253 PolarHBondContact N-O 3.37Å
254	Q	98	Very high	98.5	Very high	41 Å²	41	32 Å²	32	19%	0.192	16%	0.156	C	C	.	.			trans	-163	166.3	-173.7	60.2	-175.9	-26.5	0	0	111.2	E251 I256 W414	E251-Q254 CarbonylContact C-O 3.47Å; E251-Q254 WeakPolarHBondContact CA-O 3.22Å; E251-Q254 HydrophobicContact CB-CG 4.02Å; E251-Q254 WeakPolarHBondContact CB-O 3.49Å; E251-Q254 HydrophobicContact CG-CG 4.41Å; E251-Q254 PolarHBondContact N-O 2.93Å; E251-Q254 VanDerWaalsContact OE2-CG 3.27Å; E251-Q254 WeakPolarHBondContact OE2-CG 3.36Å; E251-Q254 PolarHBondContact OE2-NE2 3.49Å; Q254-I256 HydrophobicContact CG-CD1 4.49Å; Q254-I256 HydrophobicContact CG-CG1 4.17Å; Q254-W414 WeakPolarHBondContact CA-O 3.46Å; Q254-W414 WeakPolarHBondContact CB-O 3.5Å
255	V	98.8	Very high	98.5	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.024	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.5	162.8	173.4	0	0	0	0	108.8	V175 A185 V186 I248 H249 M257 W414	V175-V255 HydrophobicContact CG2-CG1 3.95Å; V175-V255 HydrophobicContact CG2-CG2 4.24Å; A185-V255 HydrophobicContact CB-CB 3.7Å; A185-V255 HydrophobicContact CB-CG1 3.72Å; A185-V255 HydrophobicContact CB-CG2 4.03Å; V186-V255 WeakPolarHBondContact O-CG2 3.19Å; I248-V255 HydrophobicContact CG2-CG1 3.93Å; H249-V255 WeakPolarHBondContact O-CA 3.29Å; V255-M257 HydrophobicContact CG1-CE 3.82Å; V255-M257 HydrophobicContact CG1-CG 4.18Å; V255-W414 HydrophobicContact CB-CB 4.5Å; V255-W414 HydrophobicContact CG1-CE3 4.35Å; V255-W414 PolarHBondContact N-O 2.56Å; V255-W414 PolarHBondContact O-N 3.08Å
256	I	98.8	Very high	98.4	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.051	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.4	173.1	-53.4	178.8	0	0	0	108	H249 E251 Q254 R411 L412 Y413	H249-I256 HydrophobicContact CB-CB 4.19Å; H249-I256 PolarHBondContact N-O 3.2Å; H249-I256 PolarHBondContact O-N 2.77Å; E251-I256 WeakPolarHBondContact OE1-CD1 3.46Å; Q254-I256 HydrophobicContact CG-CD1 4.49Å; Q254-I256 HydrophobicContact CG-CG1 4.17Å; I256-R411 HydrophobicContact CG2-CG 3.51Å; I256-L412 CarbonylContact C-O 3.58Å; I256-L412 VanDerWaalsContact CA-O 3.31Å; I256-L412 WeakPolarHBondContact CA-O 3.12Å; I256-Y413 HydrophobicContact CD1-CD1 3.85Å; I256-Y413 HydrophobicContact CD1-CE1 3.84Å; I256-Y413 HydrophobicContact CG1-CD1 3.81Å; I256-Y413 HydrophobicContact CG1-CE1 4.24Å; I256-Y413 HydrophobicContact CG2-CD1 4.1Å; I256-Y413 HydrophobicContact CG2-CE1 4.08Å
257	M	98.9	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.2	173.9	-59	-176.6	-165.2	0	0	110.4	V175 F177 F183 A185 T247 I248 V255 V259 R411 L412 W414	V175-M257 HydrophobicContact CB-CE 4.48Å; V175-M257 HydrophobicContact CG1-CE 3.75Å; V175-M257 HydrophobicContact CG2-CE 3.92Å; F177-M257 HydrophobicContact CZ-SD 4.43Å; F183-M257 HydrophobicContact CD2-SD 4.03Å; F183-M257 HydrophobicContact CE2-SD 4.15Å; A185-M257 HydrophobicContact CB-CE 3.73Å; T247-M257 WeakPolarHBondContact O-CA 3.38Å; I248-M257 HydrophobicContact CB-CG 4.25Å; I248-M257 HydrophobicContact CD1-CE 4.15Å; I248-M257 HydrophobicContact CD1-CG 4.2Å; I248-M257 HydrophobicContact CD1-SD 3.85Å; I248-M257 HydrophobicContact CG1-CB 4.42Å; I248-M257 HydrophobicContact CG1-CG 3.81Å; I248-M257 HydrophobicContact CG1-SD 4.14Å; I248-M257 HydrophobicContact CG2-CE 4.18Å; I248-M257 HydrophobicContact CG2-CG 3.96Å; V255-M257 HydrophobicContact CG1-CE 3.82Å; V255-M257 HydrophobicContact CG1-CG 4.18Å; M257-V259 HydrophobicContact CB-CG2 4.31Å; M257-R411 CarbonylContact O-C 3.56Å; M257-R411 WeakPolarHBondContact O-CA 3.36Å; M257-L412 HydrophobicContact CB-CB 4.37Å; M257-L412 PolarHBondContact N-O 2.73Å; M257-L412 PolarHBondContact O-N 2.86Å; M257-W414 HydrophobicContact CB-CH2 4.16Å; M257-W414 HydrophobicContact CB-CZ3 3.7Å; M257-W414 HydrophobicContact CE-CE3 4.27Å; M257-W414 HydrophobicContact CE-CH2 3.74Å; M257-W414 HydrophobicContact CE-CZ2 4.32Å; M257-W414 HydrophobicContact CE-CZ3 3.75Å; M257-W414 HydrophobicContact CG-CE3 4.28Å; M257-W414 HydrophobicContact CG-CH2 3.84Å; M257-W414 HydrophobicContact CG-CZ3 3.35Å; M257-W414 HydrophobicContact SD-CH2 3.35Å; M257-W414 WeakPolarHBondContact SD-CH2 3.35Å; M257-W414 HydrophobicContact SD-CZ2 4.33Å; M257-W414 HydrophobicContact SD-CZ3 3.52Å; M257-W414 VanDerWaalsContact SD-CZ3 3.52Å
258	D	98.9	Very high	98.3	Very high	35 Å²	35	38.8 Å²	38.8	19%	0.187	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.7	161.6	-76	-53.9	0	0	0	109	F246 T247 H249 R411	F246-D258 CarbonylContact C-O 3.5Å; F246-D258 VanDerWaalsContact CA-O 3.31Å; F246-D258 WeakPolarHBondContact CA-O 3.34Å; T247-D258 PolarHBondContact N-O 3.36Å; T247-D258 PolarHBondContact O-N 2.91Å; H249-D258 IonicContact NE2-OD2 3.57Å; H249-D258 PolarHBondContact NE2-OD2 3.14Å; D258-R411 VanDerWaalsContact CG-NH2 3.32Å; D258-R411 IonicContact OD1-CZ 3.41Å; D258-R411 VanDerWaalsContact OD1-CZ 3.3Å; D258-R411 IonicContact OD1-NE 3.9Å; D258-R411 PolarHBondContact OD1-NE 2.79Å; D258-R411 IonicContact OD1-NH2 3.3Å; D258-R411 PolarHBondContact OD1-NH2 2.89Å; D258-R411 VanDerWaalsContact OD1-NH2 3.08Å; D258-R411 IonicContact OD2-CZ 2.69Å; D258-R411 IonicContact OD2-NE 3.02Å; D258-R411 PolarHBondContact OD2-NE 2.86Å; D258-R411 IonicContact OD2-NH2 3.9Å; D258-R411 PolarHBondContact OD2-NH2 3.33Å
259	V	98.9	Very high	98.2	Very high	4 Å²	4	39 Å²	39	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.4	-179.4	-169.5	0	0	0	0	109.3	Y244 K245 F246 M257 Q409 Y410 L412	Y244-V259 HydrophobicContact CD1-CG1 3.92Å; Y244-V259 HydrophobicContact CE1-CG1 4.4Å; K245-V259 WeakPolarHBondContact O-CA 3.34Å; F246-V259 HydrophobicContact CD1-CB 4.47Å; F246-V259 HydrophobicContact CD1-CG1 4.16Å; F246-V259 HydrophobicContact CD1-CG2 3.72Å; F246-V259 HydrophobicContact CE1-CG1 3.86Å; F246-V259 HydrophobicContact CE1-CG2 3.86Å; F246-V259 HydrophobicContact CZ-CG1 4.36Å; M257-V259 HydrophobicContact CB-CG2 4.31Å; V259-Q409 WeakPolarHBondContact O-CA 3.11Å; V259-Y410 HydrophobicContact CB-CD1 4.46Å; V259-Y410 HydrophobicContact CB-CD2 4Å; V259-Y410 HydrophobicContact CB-CE1 4.11Å; V259-Y410 HydrophobicContact CB-CE2 3.6Å; V259-Y410 HydrophobicContact CB-CG 4.42Å; V259-Y410 HydrophobicContact CG1-CE1 4.02Å; V259-Y410 HydrophobicContact CG1-CE2 4.01Å; V259-Y410 HydrophobicContact CG2-CD2 4.19Å; V259-Y410 HydrophobicContact CG2-CE2 3.69Å; V259-Y410 PolarHBondContact N-O 3.11Å; V259-Y410 PolarHBondContact O-N 3.44Å; V259-L412 HydrophobicContact CG2-CD1 4.2Å; V259-L412 HydrophobicContact CG2-CG 4.42Å
260	E	98.9	Very high	98.1	Very high	54 Å²	54	42.9 Å²	42.9	25%	0.252	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.6	169.1	175.4	176.8	-179.3	0	0	108.1	F47 Y244 K245 H262 Q409	F47-E260 HydrophobicContact CE1-CG 3.8Å; F47-E260 HydrophobicContact CZ-CG 4.2Å; Y244-E260 CarbonylContact C-O 3.54Å; Y244-E260 WeakPolarHBondContact CA-O 3.34Å; K245-E260 HydrophobicContact CB-CB 4.36Å; K245-E260 PolarHBondContact N-O 3.17Å; K245-E260 PolarHBondContact O-N 2.73Å; E260-H262 IonicContact OE1-NE2 2.63Å; E260-Q409 HydrophobicContact CB-CG 4.29Å; E260-Q409 HydrophobicContact CG-CG 4.05Å
261	N	98.7	Very high	98	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.8	175.3	70.1	41.7	0	0	0	113.3	A243 Y244 L263 A407 F408	A243-N261 CarbonylContact O-C 3.49Å; A243-N261 VanDerWaalsContact O-CA 3.22Å; A243-N261 WeakPolarHBondContact O-CA 3.11Å; Y244-N261 HydrophobicContact CD1-CB 3.82Å; Y244-N261 HydrophobicContact CD2-CB 4.11Å; Y244-N261 HydrophobicContact CE1-CB 3.77Å; Y244-N261 HydrophobicContact CE2-CB 4.01Å; Y244-N261 HydrophobicContact CG-CB 3.99Å; N261-L263 HydrophobicContact CB-CD2 4.17Å; N261-A407 VanDerWaalsContact O-CA 3.29Å; N261-A407 WeakPolarHBondContact O-CA 3.48Å; N261-F408 PolarHBondContact N-O 2.87Å; N261-F408 PolarHBondContact O-N 3.37Å; N261-F408 WeakPolarHBondContact OD1-CB 3.36Å; N261-F408 PolarHBondContact OD1-N 2.9Å; N261-F408 VanDerWaalsContact OD1-N 3.09Å; N261-F408 PolarHBondContact OD1-O 3.27Å
262	H	98.8	Very high	98	Very high	44 Å²	44	39.6 Å²	39.6	20%	0.204	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.6	167.3	-70.2	-107.8	0	0	0	107.6	F47 Q51 G242 A243 E260 Y264 F406	F47-H262 AromaticContact CE1-CD2 3.9Å; F47-H262 AromaticContact CZ-CD2 3.94Å; Q51-H262 HydrophobicContact CG-CB 4.21Å; Q51-H262 PolarHBondContact NE2-CD2 2.78Å; Q51-H262 PolarHBondContact NE2-CE1 2.89Å; Q51-H262 PolarHBondContact NE2-NE2 3Å; G242-H262 CarbonylContact C-O 3.5Å; G242-H262 WeakPolarHBondContact CA-O 3.5Å; A243-H262 PolarHBondContact N-O 2.77Å; A243-H262 PolarHBondContact O-N 2.88Å; E260-H262 IonicContact OE1-NE2 2.63Å; H262-Y264 HydrophobicContact CB-CE2 4.07Å; H262-F406 CarbonylContact C-O 3.55Å; H262-F406 WeakPolarHBondContact CA-O 3.42Å
263	L	98.8	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.5	-171.3	-49.9	176.8	0	0	0	109.7	L199 I240 T241 Y244 N261 I274 E405 F406 F408	L199-L263 HydrophobicContact CD1-CD1 4.36Å; L199-L263 HydrophobicContact CD1-CD2 4.17Å; L199-L263 HydrophobicContact CD2-CD1 3.66Å; L199-L263 HydrophobicContact CD2-CD2 4.29Å; I240-L263 HydrophobicContact CD1-CB 3.93Å; I240-L263 HydrophobicContact CG1-CB 4.43Å; T241-L263 WeakPolarHBondContact O-CA 3.37Å; Y244-L263 HydrophobicContact CE2-CD2 3.77Å; N261-L263 HydrophobicContact CB-CD2 4.17Å; L263-I274 HydrophobicContact CD1-CD1 3.89Å; L263-E405 WeakPolarHBondContact O-CA 3.28Å; L263-F406 HydrophobicContact CB-CB 4.32Å; L263-F406 HydrophobicContact CD1-CB 4.49Å; L263-F406 PolarHBondContact N-O 3.48Å; L263-F406 PolarHBondContact O-N 2.83Å; L263-F408 HydrophobicContact CD1-CD2 4.04Å; L263-F408 HydrophobicContact CD1-CE2 4.19Å
264	Y	98.7	Very high	98.2	Very high	18 Å²	18	27.9 Å²	27.9	7%	0.071	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	112.1	-176.1	-51.4	-85.5	0	0	0	109.9	Q51 A54 H55 I240 T241 H262 R266 E405	Q51-Y264 PolarHBondContact O-OH 3.25Å; A54-Y264 HydrophobicContact CB-CD2 3.79Å; A54-Y264 HydrophobicContact CB-CE2 3.68Å; H55-Y264 HydrophobicContact CB-CD1 3.94Å; H55-Y264 HydrophobicContact CB-CD2 4.35Å; H55-Y264 HydrophobicContact CB-CE1 3.77Å; H55-Y264 HydrophobicContact CB-CE2 4.18Å; H55-Y264 HydrophobicContact CB-CG 4.23Å; H55-Y264 AromaticContact ND1-CD1 3.46Å; H55-Y264 WeakPolarHBondContact ND1-CD1 3.34Å; H55-Y264 AromaticContact ND1-CE1 3.55Å; I240-Y264 WeakPolarHBondContact CA-O 3.44Å; I240-Y264 VanDerWaalsContact CG1-O 3.31Å; I240-Y264 WeakPolarHBondContact CG1-O 3.42Å; T241-Y264 PolarHBondContact N-O 2.87Å; T241-Y264 PolarHBondContact O-N 3.48Å; H262-Y264 HydrophobicContact CB-CE2 4.07Å; Y264-R266 PolarHBondContact O-N 2.87Å; Y264-E405 HydrophobicContact CD1-CB 4.39Å; Y264-E405 HydrophobicContact CD1-CG 3.81Å; Y264-E405 HydrophobicContact CE1-CG 4.22Å
265	A	98.6	Very high	98.3	Very high	5 Å²	5	26 Å²	26	4%	0.041	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	117.2	-176.1	0	0	0	0	0	111.2	V400 K401 G403 D404	A265-V400 HydrophobicContact CB-CG1 3.71Å; A265-K401 VanDerWaalsContact CB-O 3.27Å; A265-K401 WeakPolarHBondContact CB-O 3.44Å; A265-G403 PolarHBondContact O-N 3.34Å; A265-D404 HydrophobicContact CB-CB 4.35Å; A265-D404 WeakPolarHBondContact CB-O 3.46Å; A265-D404 PolarHBondContact N-O 2.85Å
266	R	98.1	Very high	98.3	Very high	30 Å²	30	25.9 Å²	25.9	11%	0.113	12%	0.121	C	C	.	.	S	Bend	trans	-79.5	-29.6	171.5	178.9	-178.1	-71.1	149.2	-2.2	111.4	L57 A58 T60 W62 D236 S237 A238 S239 Y264	L57-R266 PolarHBondContact O-NH2 3.18Å; A58-R266 WeakPolarHBondContact O-CG 3.49Å; T60-R266 WeakPolarHBondContact O-CD 3.5Å; T60-R266 PolarHBondContact O-NE 3.02Å; W62-R266 VanDerWaalsContact CB-NH1 3.26Å; D236-R266 IonicContact OD1-CZ 2.79Å; D236-R266 IonicContact OD1-NH1 2.86Å; D236-R266 PolarHBondContact OD1-NH1 2.78Å; D236-R266 IonicContact OD1-NH2 3.5Å; D236-R266 PolarHBondContact OD1-NH2 2.97Å; S237-R266 PolarHBondContact O-NH1 2.89Å; A238-R266 WeakPolarHBondContact O-CD 3.37Å; S239-R266 WeakPolarHBondContact O-CA 3.35Å; S239-R266 WeakPolarHBondContact O-CB 3.31Å; S239-R266 PolarHBondContact O-N 2.78Å; Y264-R266 PolarHBondContact O-N 2.87Å
267	K	97.4	Very high	98.2	Very high	111 Å²	111	25.4 Å²	25.4	48%	0.483	12%	0.119	S	C	.	.	S	Bend	trans	-142.1	166.8	-180	-62.8	-176.5	-177.6	176.7	0	110.8	S239	S239-K267 PolarHBondContact O-N 3.5Å
268	D	97.5	Very high	98.2	Very high	88 Å²	88	25.4 Å²	25.4	47%	0.471	12%	0.119	S	C	.	.			trans	-59.5	136.3	166.2	-73.3	19.4	0	0	0	110.3	V400 K401 A402	D268-V400 WeakPolarHBondContact CA-O 3.48Å; D268-K401 WeakPolarHBondContact OD1-CA 3.48Å; D268-K401 VanDerWaalsContact OD2-CD 3.23Å; D268-K401 WeakPolarHBondContact OD2-CD 3.4Å; D268-K401 IonicContact OD2-NZ 2.65Å; D268-K401 PolarHBondContact OD2-NZ 2.98Å; D268-A402 PolarHBondContact OD1-N 3.19Å
269	I	97.5	Very high	98.1	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.026	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-124.7	130.7	177.7	-61.3	170.1	0	0	0	108.4	I201 I240 Q271 L272 V400	I201-I269 HydrophobicContact CD1-CD1 4.46Å; I201-I269 HydrophobicContact CG2-CG1 4.5Å; I201-I269 HydrophobicContact CG2-CG2 3.82Å; I240-I269 HydrophobicContact CB-CD1 3.95Å; I240-I269 HydrophobicContact CD1-CD1 4.06Å; I240-I269 HydrophobicContact CG1-CD1 4.49Å; I240-I269 HydrophobicContact CG2-CD1 4.45Å; I269-Q271 WeakPolarHBondContact CG2-O 3.21Å; I269-L272 HydrophobicContact CG2-CB 4.18Å; I269-V400 HydrophobicContact CB-CB 3.89Å; I269-V400 HydrophobicContact CB-CG1 4.05Å; I269-V400 HydrophobicContact CB-CG2 4.35Å; I269-V400 HydrophobicContact CD1-CG1 4.16Å; I269-V400 HydrophobicContact CG1-CG1 4.27Å; I269-V400 PolarHBondContact N-O 3Å; I269-V400 VanDerWaalsContact N-O 3.11Å
270	K	95.8	Very high	97.9	Very high	123 Å²	123	23.6 Å²	23.6	54%	0.535	11%	0.109	S	C	.	.	S	Bend	trans	-79.3	-39.3	-178.4	-64	-177.2	-177.6	-177.2	0	111.3	D202 T205 D206	D202-K270 WeakPolarHBondContact OD1-CB 3.11Å; D202-K270 PolarHBondContact OD1-N 3.01Å; D202-K270 VanDerWaalsContact OD1-N 3.12Å; T205-K270 HydrophobicContact CG2-CB 4.07Å; D206-K270 IonicContact OD1-NZ 2.76Å; D206-K270 PolarHBondContact OD1-NZ 2.75Å; D206-K270 IonicContact OD2-NZ 3.22Å; D206-K270 PolarHBondContact OD2-NZ 2.72Å
271	Q	97	Very high	97.8	Very high	7 Å²	7	21 Å²	21	3%	0.033	10%	0.097	C	C	.	.			trans	-135.7	108.7	177.6	174.4	174.8	78.1	0	0	110.4	I201 D202 T205 I269 F393	I201-Q271 WeakPolarHBondContact CA-O 3.39Å; D202-Q271 PolarHBondContact N-O 2.82Å; D202-Q271 PolarHBondContact OD1-N 2.95Å; T205-Q271 HydrophobicContact CG2-CB 3.86Å; I269-Q271 WeakPolarHBondContact CG2-O 3.21Å; Q271-F393 HydrophobicContact CG-CE2 3.98Å; Q271-F393 HydrophobicContact CG-CZ 4.12Å
272	L	98.1	Very high	97.6	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.9	170.4	-180	66.3	0	0	0	109.3	L199 I201 I240 I269 I274 P396 V400 F406	L199-L272 HydrophobicContact CD1-CD1 4.08Å; L199-L272 HydrophobicContact CD2-CD1 4.09Å; L199-L272 HydrophobicContact CG-CD1 4.46Å; I201-L272 HydrophobicContact CG1-CD1 4.37Å; I240-L272 HydrophobicContact CD1-CD1 4.07Å; I240-L272 HydrophobicContact CD1-CD2 4.36Å; I269-L272 HydrophobicContact CG2-CB 4.18Å; L272-I274 HydrophobicContact CD2-CD1 4.11Å; L272-I274 HydrophobicContact CG-CD1 4Å; L272-P396 WeakPolarHBondContact O-CD 3.44Å; L272-V400 HydrophobicContact CB-CG2 3.75Å; L272-V400 HydrophobicContact CD2-CG2 3.85Å; L272-V400 HydrophobicContact CG-CG2 4.45Å; L272-F406 HydrophobicContact CD2-CD2 4.44Å
273	G	98.3	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.7	176.5	0	0	0	0	0	112.2	L199 A200 W394	L199-G273 WeakPolarHBondContact CA-O 3.44Å; A200-G273 PolarHBondContact N-O 2.75Å; A200-G273 PolarHBondContact O-N 3.04Å; G273-W394 CarbonylContact C-O 3.56Å; G273-W394 WeakPolarHBondContact CA-O 3.39Å
274	I	98.7	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	144.2	179.3	-51.6	-55.5	0	0	0	109.8	L199 L263 L272 P276 W370 W394 P396 F408 Y410	L199-I274 HydrophobicContact CD2-CD1 3.84Å; L263-I274 HydrophobicContact CD1-CD1 3.89Å; L272-I274 HydrophobicContact CD2-CD1 4.11Å; L272-I274 HydrophobicContact CG-CD1 4Å; I274-P276 VanDerWaalsContact C-CD 3.41Å; I274-P276 VanDerWaalsContact C-N 3.31Å; I274-W370 HydrophobicContact CG2-CH2 4.01Å; I274-W370 HydrophobicContact CG2-CZ2 3.97Å; I274-W394 HydrophobicContact CB-CB 4.34Å; I274-W394 PolarHBondContact N-O 2.81Å; I274-W394 PolarHBondContact O-N 3.18Å; I274-P396 HydrophobicContact CG1-CG 4.2Å; I274-F408 HydrophobicContact CD1-CD2 3.62Å; I274-F408 HydrophobicContact CD1-CE2 3.41Å; I274-F408 VanDerWaalsContact CD1-CE2 3.41Å; I274-F408 HydrophobicContact CD1-CG 4.37Å; I274-F408 HydrophobicContact CD1-CZ 4.03Å; I274-F408 HydrophobicContact CG1-CD1 4.32Å; I274-F408 HydrophobicContact CG1-CD2 3.93Å; I274-F408 HydrophobicContact CG1-CE1 4.09Å; I274-F408 HydrophobicContact CG1-CE2 3.66Å; I274-F408 HydrophobicContact CG1-CG 4.25Å; I274-F408 HydrophobicContact CG1-CZ 3.76Å; I274-F408 HydrophobicContact CG2-CB 3.9Å; I274-F408 HydrophobicContact CG2-CD1 3.97Å; I274-F408 HydrophobicContact CG2-CD2 4.04Å; I274-F408 HydrophobicContact CG2-CG 3.69Å; I274-Y410 HydrophobicContact CG2-CE1 4.29Å
275	A	98.6	Very high	96.9	Very high	3 Å²	3	19.9 Å²	19.9	3%	0.025	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.8	49.6	-173.4	0	0	0	0	0	112.9	M277 F337 V364 W370 Y410	A275-M277 PolarHBondContact O-N 3.16Å; A275-F337 HydrophobicContact CB-CZ 4.5Å; A275-V364 HydrophobicContact CB-CG1 3.68Å; A275-V364 HydrophobicContact CB-CG2 4.11Å; A275-W370 HydrophobicContact CB-CH2 4Å; A275-Y410 HydrophobicContact CB-CD1 4.48Å; A275-Y410 HydrophobicContact CB-CD2 3.9Å; A275-Y410 HydrophobicContact CB-CE1 4.33Å; A275-Y410 HydrophobicContact CB-CE2 3.73Å; A275-Y410 HydrophobicContact CB-CG 4.27Å
276	P	98.5	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	136	-176.7	32.2	-40.4	0	0	0	112	A196 R197 A200 I274 C392 F393	A196-P276 CarbonylContact C-O 3.56Å; A196-P276 VanDerWaalsContact CA-O 3.23Å; A196-P276 WeakPolarHBondContact CA-O 3.4Å; R197-P276 HydrophobicContact CB-CB 4.49Å; R197-P276 HydrophobicContact CB-CG 3.66Å; R197-P276 PolarHBondContact N-O 2.75Å; R197-P276 VanDerWaalsContact O-CD 3.29Å; R197-P276 WeakPolarHBondContact O-CD 3.32Å; R197-P276 WeakPolarHBondContact O-CG 3.32Å; A200-P276 HydrophobicContact CB-CB 3.84Å; A200-P276 HydrophobicContact CB-CG 4.41Å; I274-P276 VanDerWaalsContact C-CD 3.41Å; I274-P276 VanDerWaalsContact C-N 3.31Å; P276-C392 CarbonylContact C-O 3.5Å; P276-C392 VanDerWaalsContact CA-O 3.28Å; P276-C392 WeakPolarHBondContact CA-O 3.3Å; P276-F393 HydrophobicContact CB-CB 3.98Å
277	M	98.4	Very high	96.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141	173.3	-56.9	178.1	-83.7	0	0	109.2	S195 A275 F337 L339 L362 V364 V391 C392	S195-M277 CarbonylContact O-C 3.54Å; S195-M277 WeakPolarHBondContact O-CA 3.26Å; A275-M277 PolarHBondContact O-N 3.16Å; M277-F337 HydrophobicContact CE-CD2 3.67Å; M277-F337 HydrophobicContact CE-CE2 3.69Å; M277-L339 HydrophobicContact CB-CD1 3.79Å; M277-L339 HydrophobicContact CB-CG 4.36Å; M277-L339 HydrophobicContact CE-CG 4.2Å; M277-L339 HydrophobicContact SD-CB 4.4Å; M277-L339 HydrophobicContact SD-CG 4.25Å; M277-L362 HydrophobicContact CB-CD2 4.49Å; M277-L362 HydrophobicContact CG-CD2 3.7Å; M277-L362 HydrophobicContact CG-CG 4.23Å; M277-L362 HydrophobicContact SD-CB 4.04Å; M277-L362 HydrophobicContact SD-CD2 3.95Å; M277-L362 HydrophobicContact SD-CG 3.8Å; M277-V364 HydrophobicContact CE-CG2 3.93Å; M277-V364 HydrophobicContact SD-CG2 4Å; M277-V391 WeakPolarHBondContact O-CA 3.02Å; M277-C392 HydrophobicContact CE-CB 4.05Å; M277-C392 PolarHBondContact N-O 3.12Å; M277-C392 PolarHBondContact O-N 2.87Å
278	T	96.9	Very high	96	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.9	175.9	-52.5	0	0	0	0	107.8	L194 S195 R197 D388 I390	L194-T278 WeakPolarHBondContact CA-O 3.36Å; L194-T278 WeakPolarHBondContact CB-O 3.47Å; S195-T278 PolarHBondContact N-O 3.36Å; S195-T278 PolarHBondContact O-N 2.87Å; R197-T278 PolarHBondContact NE-OG1 2.54Å; T278-D388 HydrophobicContact CG2-CB 3.45Å; T278-D388 VanDerWaalsContact CG2-CB 3.45Å; T278-I390 WeakPolarHBondContact CA-O 3.44Å
279	S	96.9	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	178.4	-175.9	-170.6	0	0	0	0	109.9	D300 S301 D388 N389 I390	S279-D300 VanDerWaalsContact OG-CB 3.31Å; S279-D300 WeakPolarHBondContact OG-CB 3.4Å; S279-S301 WeakPolarHBondContact OG-CB 3.23Å; S279-S301 PolarHBondContact OG-OG 3.44Å; S279-D388 CarbonylContact O-C 3.58Å; S279-D388 WeakPolarHBondContact O-CA 3.45Å; S279-D388 WeakPolarHBondContact O-CB 3.36Å; S279-N389 PolarHBondContact O-N 2.87Å; S279-N389 VanDerWaalsContact O-N 3.15Å; S279-I390 PolarHBondContact N-O 3.46Å; S279-I390 WeakPolarHBondContact O-CB 3.3Å; S279-I390 PolarHBondContact O-N 2.89Å
280	M	95.4	Very high	95.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	10%	0.102	C	C	.	.			trans	-127.8	133.3	177.8	-176.4	-78.8	-67.8	0	0	110.1	S282 I298 H299 D300 Y356 E385 N389	M280-S282 PolarHBondContact SD-N 2.89Å; M280-S282 VanDerWaalsContact SD-N 3.44Å; M280-I298 HydrophobicContact CE-CG2 3.66Å; M280-I298 HydrophobicContact SD-CG2 4.14Å; M280-H299 CarbonylContact O-C 3.51Å; M280-H299 VanDerWaalsContact O-CA 3.31Å; M280-H299 WeakPolarHBondContact O-CA 3.38Å; M280-H299 WeakPolarHBondContact O-CB 3.23Å; M280-D300 PolarHBondContact O-N 2.83Å; M280-Y356 HydrophobicContact CE-CD1 4.31Å; M280-Y356 HydrophobicContact CE-CE1 3.4Å; M280-Y356 VanDerWaalsContact CE-CE1 3.4Å; M280-E385 HydrophobicContact CE-CB 4.13Å; M280-N389 WeakPolarHBondContact CA-OD1 3.4Å
281	F	96.1	Very high	94.8	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	103.8	169.1	-176.7	-89.2	0	0	0	109.3	E287 H299 S301 D302 L318 N320 N389 I390	F281-E287 HydrophobicContact CE1-CB 3.97Å; F281-E287 HydrophobicContact CE1-CG 4.47Å; F281-E287 HydrophobicContact CZ-CB 4.45Å; F281-H299 HydrophobicContact CB-CB 4.17Å; F281-H299 HydrophobicContact CD2-CB 3.5Å; F281-H299 VanDerWaalsContact CD2-CB 3.5Å; F281-H299 AromaticContact CD2-CD2 3.78Å; F281-H299 AromaticContact CD2-CG 3.74Å; F281-H299 HydrophobicContact CE2-CB 4.26Å; F281-H299 AromaticContact CE2-CD2 3.63Å; F281-H299 HydrophobicContact CG-CB 4.14Å; F281-S301 WeakPolarHBondContact CD2-O 3.36Å; F281-D302 HydrophobicContact CE2-CB 4.5Å; F281-L318 HydrophobicContact CB-CB 4.09Å; F281-L318 HydrophobicContact CB-CD1 4.28Å; F281-L318 HydrophobicContact CD1-CB 4.15Å; F281-L318 HydrophobicContact CD2-CB 3.95Å; F281-L318 VanDerWaalsContact CE1-O 3.3Å; F281-L318 WeakPolarHBondContact CE1-O 3.43Å; F281-L318 HydrophobicContact CE2-CB 4.41Å; F281-L318 HydrophobicContact CG-CB 3.8Å; F281-L318 WeakPolarHBondContact CZ-O 3.3Å; F281-N320 HydrophobicContact CD1-CB 4.4Å; F281-N389 PolarHBondContact N-OD1 3.15Å; F281-N389 PolarHBondContact O-ND2 3.3Å; F281-N389 PolarHBondContact O-OD1 3.23Å; F281-I390 HydrophobicContact CB-CD1 4.07Å; F281-I390 HydrophobicContact CB-CG1 3.83Å
282	S	94.7	Very high	94.4	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.028	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-53.1	177.3	-176.8	0	0	0	0	110.6	M280 M290 I298 N320	M280-S282 PolarHBondContact SD-N 2.89Å; M280-S282 VanDerWaalsContact SD-N 3.44Å; S282-M290 WeakPolarHBondContact O-CB 3.49Å; S282-I298 WeakPolarHBondContact CB-O 3.18Å; S282-I298 PolarHBondContact N-O 3.48Å; S282-N320 VanDerWaalsContact O-CB 3.27Å; S282-N320 WeakPolarHBondContact O-CB 3.45Å; S282-N320 PolarHBondContact O-ND2 2.9Å
283	C	93.3	Very high	94	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	146.1	-175.8	71.1	0	0	0	0	111.8	E287 M290 C291 I298 H299	C283-E287 WeakPolarHBondContact CA-O 3.19Å; C283-M290 HydrophobicContact CB-CB 4.19Å; C283-C291 HydrophobicContact CB-CB 4.29Å; C283-C291 WeakPolarHBondContact CB-SG 3.44Å; C283-C291 PolarHBondContact SG-SG 3.15Å; C283-I298 PolarHBondContact N-O 2.75Å; C283-I298 PolarHBondContact O-N 3.27Å; C283-H299 PolarHBondContact O-CD2 2.69Å; C283-H299 VanDerWaalsContact O-CD2 3.27Å
284	G	94.4	Very high	93.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.			trans	-160.6	-170.1	-173.8	0	0	0	0	0	112	N286 E287 R288	G284-N286 PolarHBondContact O-N 2.72Å; G284-N286 VanDerWaalsContact O-N 3.15Å; G284-E287 PolarHBondContact N-O 2.78Å; G284-E287 CarbonylContact O-C 3.53Å; G284-E287 PolarHBondContact O-N 3.16Å; G284-E287 VanDerWaalsContact O-O 3.12Å; G284-R288 WeakPolarHBondContact O-CD 3.28Å
285	T	93.9	Very high	93.5	Very high	34 Å²	34	38.5 Å²	38.5	21%	0.209	19%	0.19	C	C	.	.	S	Bend	trans	-59	-29.5	-175.8	58.3	0	0	0	0	115.1	T430	T285-T430 CarbonylContact C-O 3.57Å; T285-T430 WeakPolarHBondContact CB-O 3.4Å; T285-T430 PolarHBondContact OG1-O 3.36Å
286	N	94.3	Very high	93.3	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	20%	0.203	C	C	.	.	S	Bend	trans	-94.8	-31.7	-178.2	59	-72.1	0	0	0	114.2	G284 L318 N319 T430 T432 Y532	G284-N286 PolarHBondContact O-N 2.72Å; G284-N286 VanDerWaalsContact O-N 3.15Å; N286-L318 PolarHBondContact ND2-O 3.39Å; N286-N319 PolarHBondContact ND2-OD1 2.89Å; N286-T430 HydrophobicContact CB-CG2 3.84Å; N286-T430 WeakPolarHBondContact CB-O 3.3Å; N286-T430 PolarHBondContact N-O 2.94Å; N286-T432 HydrophobicContact CB-CG2 4.3Å; N286-T432 WeakPolarHBondContact O-CG2 3.39Å; N286-T432 PolarHBondContact O-OG1 3.43Å; N286-Y532 HydrophobicContact CB-CE2 4.02Å; N286-Y532 WeakPolarHBondContact ND2-CE2 3.3Å; N286-Y532 PolarHBondContact ND2-OH 3.25Å
287	E	90.9	Very high	93.1	Very high	29 Å²	29	41 Å²	41	14%	0.136	21%	0.205	C	C	.	.			trans	-119.6	101.2	179.7	174.2	51	-88.6	0	0	109.3	F281 C283 G284 R289 N320	F281-E287 HydrophobicContact CE1-CB 3.97Å; F281-E287 HydrophobicContact CE1-CG 4.47Å; F281-E287 HydrophobicContact CZ-CB 4.45Å; C283-E287 WeakPolarHBondContact CA-O 3.19Å; G284-E287 PolarHBondContact N-O 2.78Å; G284-E287 CarbonylContact O-C 3.53Å; G284-E287 PolarHBondContact O-N 3.16Å; G284-E287 VanDerWaalsContact O-O 3.12Å; E287-R289 WeakPolarHBondContact OE1-CB 3.45Å; E287-R289 PolarHBondContact OE1-N 2.84Å; E287-N320 HydrophobicContact CG-CB 4.04Å
288	R	90.3	Very high	92.9	Very high	132 Å²	132	41.3 Å²	41.3	50%	0.498	21%	0.206	S	C	.	.			trans	-104.8	-8.2	-171.9	-62.3	-65.5	-64.4	-128.3	1.7	113.8	G284 M290 C291	G284-R288 WeakPolarHBondContact O-CD 3.28Å; R288-M290 PolarHBondContact O-N 2.85Å; R288-C291 PolarHBondContact NE-SG 2.86Å; R288-C291 VanDerWaalsContact NE-SG 3.4Å; R288-C291 VanDerWaalsContact O-CB 3.31Å; R288-C291 WeakPolarHBondContact O-CB 3.49Å; R288-C291 PolarHBondContact O-N 2.89Å
289	R	89.8	Confident	92.9	Very high	115 Å²	115	41.3 Å²	41.3	43%	0.434	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.4	-174.4	-176.3	178.9	56.4	74.1	4.6	112.7	E287 N320	E287-R289 WeakPolarHBondContact OE1-CB 3.45Å; E287-R289 PolarHBondContact OE1-N 2.84Å; R289-N320 PolarHBondContact NH2-O 3.21Å
290	M	87.7	Confident	92.8	Very high	37 Å²	37	41.4 Å²	41.4	18%	0.182	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	10.4	-179.2	-60.6	-60.9	-52.6	0	0	112.9	S282 C283 R288 D292 N320	S282-M290 WeakPolarHBondContact O-CB 3.49Å; C283-M290 HydrophobicContact CB-CB 4.19Å; R288-M290 PolarHBondContact O-N 2.85Å; M290-D292 PolarHBondContact O-N 2.82Å; M290-N320 WeakPolarHBondContact CG-ND2 3.36Å
291	C	88.4	Confident	92.9	Very high	32 Å²	32	41.4 Å²	41.4	22%	0.216	21%	0.207	C	C	.	.			trans	-76.5	53.8	171.9	-67.6	0	0	0	0	111.7	C283 R288	C283-C291 HydrophobicContact CB-CB 4.29Å; C283-C291 WeakPolarHBondContact CB-SG 3.44Å; C283-C291 PolarHBondContact SG-SG 3.15Å; R288-C291 PolarHBondContact NE-SG 2.86Å; R288-C291 VanDerWaalsContact NE-SG 3.4Å; R288-C291 VanDerWaalsContact O-CB 3.31Å; R288-C291 WeakPolarHBondContact O-CB 3.49Å; R288-C291 PolarHBondContact O-N 2.89Å
292	D	88.8	Confident	93	Very high	154 Å²	154	42.2 Å²	42.2	82%	0.824	21%	0.212	S	C	*	.			trans	-106.3	54.8	177.7	-169.4	26.1	0	0	0	111	M290	M290-D292 PolarHBondContact O-N 2.82Å
293	T	89.5	Confident	93.1	Very high	73 Å²	73	42.9 Å²	42.9	45%	0.448	21%	0.213	S	C	.	.	S	Bend	trans	-143.9	173.3	176.2	77	0	0	0	0	109.2	H295 I298	T293-H295 PolarHBondContact O-N 3.17Å; T293-H295 PolarHBondContact OG1-N 3.41Å; T293-H295 VanDerWaalsContact OG1-N 3.07Å; T293-H295 PolarHBondContact OG1-O 3.12Å; T293-I298 HydrophobicContact CG2-CD1 3.75Å; T293-I298 WeakPolarHBondContact OG1-CD1 3.46Å
294	I	92.3	Very high	93.4	Very high	152 Å²	152	42.9 Å²	42.9	78%	0.779	21%	0.213	S	C	*	.	S	Bend	trans	-68.9	-12.5	173.1	64.5	170.1	0	0	0	113.4
295	H	93.8	Very high	93.6	Very high	34 Å²	34	43.2 Å²	43.2	16%	0.157	22%	0.216	C	C	.	.	S	Bend	trans	-92.5	128.6	-178	-56.1	-58.8	0	0	0	110.4	T293 Q297 I298 Y349 Q350 D351	T293-H295 PolarHBondContact O-N 3.17Å; T293-H295 PolarHBondContact OG1-N 3.41Å; T293-H295 VanDerWaalsContact OG1-N 3.07Å; T293-H295 PolarHBondContact OG1-O 3.12Å; H295-Q297 VanDerWaalsContact C-N 3.3Å; H295-Q297 PolarHBondContact O-N 3.31Å; H295-I298 HydrophobicContact CB-CD1 4.09Å; H295-I298 HydrophobicContact CB-CG1 3.86Å; H295-Y349 WeakPolarHBondContact CB-O 3.43Å; H295-Y349 PolarHBondContact ND1-O 3.5Å; H295-Q350 PolarHBondContact CE1-O 3.48Å; H295-Q350 PolarHBondContact ND1-O 3.05Å; H295-D351 IonicContact CE1-OD1 2.6Å
296	P	94.9	Very high	93.8	Very high	47 Å²	47	41.6 Å²	41.6	31%	0.305	21%	0.206	S	C	.	.	S	Bend	trans	-65.4	-30.2	-179.5	-20.7	31.7	0	0	0	114.1	H348 Y349 Q350	P296-H348 WeakPolarHBondContact CB-O 3.44Å; P296-Y349 VanDerWaalsContact CD-O 3.26Å; P296-Y349 WeakPolarHBondContact CD-O 3.5Å; P296-Q350 HydrophobicContact CG-CG 4.4Å
297	Q	95.1	Very high	94	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.047	22%	0.216	C	C	.	.			trans	-142.8	145.6	177.9	-59.4	-168.2	95.2	0	0	110.7	H295 H299 D343 H348 Y349	H295-Q297 VanDerWaalsContact C-N 3.3Å; H295-Q297 PolarHBondContact O-N 3.31Å; Q297-H299 PolarHBondContact OE1-NE2 3.12Å; Q297-D343 PolarHBondContact NE2-OD2 3.07Å; Q297-H348 WeakPolarHBondContact CB-O 3.48Å; Q297-H348 WeakPolarHBondContact CG-O 3.11Å; Q297-H348 PolarHBondContact N-O 3Å; Q297-Y349 HydrophobicContact CB-CD1 3.91Å; Q297-Y349 HydrophobicContact CB-CE1 4.03Å
298	I	94.8	Very high	94.4	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	100.2	-179	-62.5	177	0	0	0	108.8	M280 S282 C283 T293 H295 Y356 E385	M280-I298 HydrophobicContact CE-CG2 3.66Å; M280-I298 HydrophobicContact SD-CG2 4.14Å; S282-I298 WeakPolarHBondContact CB-O 3.18Å; S282-I298 PolarHBondContact N-O 3.48Å; C283-I298 PolarHBondContact N-O 2.75Å; C283-I298 PolarHBondContact O-N 3.27Å; T293-I298 HydrophobicContact CG2-CD1 3.75Å; T293-I298 WeakPolarHBondContact OG1-CD1 3.46Å; H295-I298 HydrophobicContact CB-CD1 4.09Å; H295-I298 HydrophobicContact CB-CG1 3.86Å; I298-Y356 HydrophobicContact CG2-CE1 4.43Å; I298-Y356 HydrophobicContact CG2-CE2 3.94Å; I298-E385 HydrophobicContact CG2-CB 4.01Å
299	H	95.9	Very high	94.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	154.6	176.9	51.2	74.8	0	0	0	113.1	M280 F281 C283 Q297 S301 Q341 Y349 Y356	M280-H299 CarbonylContact O-C 3.51Å; M280-H299 VanDerWaalsContact O-CA 3.31Å; M280-H299 WeakPolarHBondContact O-CA 3.38Å; M280-H299 WeakPolarHBondContact O-CB 3.23Å; F281-H299 HydrophobicContact CB-CB 4.17Å; F281-H299 HydrophobicContact CD2-CB 3.5Å; F281-H299 VanDerWaalsContact CD2-CB 3.5Å; F281-H299 AromaticContact CD2-CD2 3.78Å; F281-H299 AromaticContact CD2-CG 3.74Å; F281-H299 HydrophobicContact CE2-CB 4.26Å; F281-H299 AromaticContact CE2-CD2 3.63Å; F281-H299 HydrophobicContact CG-CB 4.14Å; C283-H299 PolarHBondContact O-CD2 2.69Å; C283-H299 VanDerWaalsContact O-CD2 3.27Å; Q297-H299 PolarHBondContact OE1-NE2 3.12Å; H299-S301 WeakPolarHBondContact CB-O 3.47Å; H299-Q341 PolarHBondContact CE1-OE1 3.19Å; H299-Q341 PolarHBondContact ND1-OE1 3.42Å; H299-Q341 PolarHBondContact O-NE2 2.94Å; H299-Q341 PolarHBondContact O-OE1 2.94Å; H299-Y349 AromaticContact CE1-CE1 3.51Å; H299-Y349 AromaticContact CE1-CZ 3.75Å; H299-Y349 PolarHBondContact CE1-OH 2.88Å; H299-Y349 AromaticContact ND1-CE1 3.96Å; H299-Y349 AromaticContact NE2-CE1 3.91Å; H299-Y356 WeakPolarHBondContact O-CD1 3.37Å
300	D	96	Very high	95.1	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.215	C	C	.	.	S	Bend	trans	-91.4	-21.7	174.4	-74	15.6	0	0	0	112.2	G193 L194 S279 M280 Q341 Y356 R359	G193-D300 WeakPolarHBondContact CA-OD2 3.14Å; L194-D300 PolarHBondContact N-OD2 3.29Å; S279-D300 VanDerWaalsContact OG-CB 3.31Å; S279-D300 WeakPolarHBondContact OG-CB 3.4Å; M280-D300 PolarHBondContact O-N 2.83Å; D300-Q341 PolarHBondContact O-OE1 2.62Å; D300-Y356 WeakPolarHBondContact OD1-CE1 3.42Å; D300-R359 WeakPolarHBondContact OD1-CD 3.25Å; D300-R359 IonicContact OD1-CZ 2.93Å; D300-R359 IonicContact OD1-NE 3.42Å; D300-R359 PolarHBondContact OD1-NE 3.2Å; D300-R359 IonicContact OD1-NH1 3.8Å; D300-R359 PolarHBondContact OD1-NH1 2.63Å; D300-R359 IonicContact OD2-CZ 3.46Å; D300-R359 IonicContact OD2-NH1 3.37Å; D300-R359 PolarHBondContact OD2-NH1 3.25Å
301	S	97.4	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.			trans	-150.8	145.2	175.7	-50.2	0	0	0	0	107.8	S279 F281 H299 L318 L340 Q341	S279-S301 WeakPolarHBondContact OG-CB 3.23Å; S279-S301 PolarHBondContact OG-OG 3.44Å; F281-S301 WeakPolarHBondContact CD2-O 3.36Å; H299-S301 WeakPolarHBondContact CB-O 3.47Å; S301-L318 WeakPolarHBondContact O-CD1 3.24Å; S301-L340 CarbonylContact C-O 3.57Å; S301-L340 VanDerWaalsContact CA-O 3.27Å; S301-L340 WeakPolarHBondContact CA-O 3.41Å; S301-L340 WeakPolarHBondContact CB-O 3.32Å; S301-Q341 VanDerWaalsContact CA-OE1 3.25Å; S301-Q341 VanDerWaalsContact N-OE1 3.15Å
302	D	96.3	Very high	96	Very high	19 Å²	19	40.3 Å²	40.3	10%	0.102	22%	0.219	C	C	.	.	S	Bend	trans	-107.2	-13.7	179.5	69.2	-8.3	0	0	0	113	F281 P317 L318 L340	F281-D302 HydrophobicContact CE2-CB 4.5Å; D302-P317 WeakPolarHBondContact O-CA 3.32Å; D302-L318 PolarHBondContact O-N 2.96Å; D302-L340 PolarHBondContact N-O 3.37Å
303	R	98.1	Very high	96.5	Very high	17 Å²	17	34 Å²	34	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	151.4	-176.3	69.5	-163.3	73.9	-168.4	-1.9	113.2	R316 L339 L340 V427 M428	R303-R316 CarbonylContact C-O 3.6Å; R303-R316 WeakPolarHBondContact CA-O 3.32Å; R303-L339 WeakPolarHBondContact O-CA 3.24Å; R303-L340 HydrophobicContact CG-CB 3.89Å; R303-L340 PolarHBondContact N-O 2.91Å; R303-L340 PolarHBondContact O-N 2.78Å; R303-V427 PolarHBondContact NH1-O 2.78Å; R303-M428 PolarHBondContact NH2-O 2.98Å
304	L	98.7	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.4	155.2	170.2	60.9	0	0	0	108.4	M306 R316 L318 Y329 G338 L339 I375 L377	L304-M306 HydrophobicContact CD1-CG 4.08Å; L304-M306 HydrophobicContact CD2-CE 4.18Å; L304-M306 HydrophobicContact CD2-CG 4.28Å; L304-M306 HydrophobicContact CD2-SD 3.93Å; L304-M306 HydrophobicContact CG-CE 4.36Å; L304-M306 HydrophobicContact CG-CG 3.94Å; L304-M306 HydrophobicContact CG-SD 4.23Å; L304-R316 HydrophobicContact CB-CB 4.26Å; L304-R316 PolarHBondContact N-O 3.46Å; L304-R316 PolarHBondContact O-N 3.15Å; L304-L318 HydrophobicContact CB-CD2 4.43Å; L304-Y329 HydrophobicContact CD2-CD2 4.16Å; L304-Y329 HydrophobicContact CD2-CE2 3.93Å; L304-G338 WeakPolarHBondContact CA-O 3.25Å; L304-G338 WeakPolarHBondContact CD1-O 3.4Å; L304-L339 HydrophobicContact CB-CD2 4.12Å; L304-L339 HydrophobicContact CD1-CD2 4.33Å; L304-I375 HydrophobicContact CD1-CG2 4.45Å; L304-I375 HydrophobicContact CD2-CG2 4.17Å; L304-L377 HydrophobicContact CD2-CB 4.09Å; L304-L377 HydrophobicContact CD2-CD2 4.14Å; L304-L377 HydrophobicContact CD2-CG 4.48Å
305	S	98.6	Very high	97.2	Very high	8 Å²	8	23.7 Å²	23.7	6%	0.056	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.6	169.8	-178.4	0	0	0	0	110	I314 F337 G338 L340	S305-I314 CarbonylContact C-O 3.52Å; S305-I314 VanDerWaalsContact CA-O 3.32Å; S305-I314 WeakPolarHBondContact CA-O 3.25Å; S305-F337 CarbonylContact O-C 3.55Å; S305-F337 WeakPolarHBondContact O-CA 3.13Å; S305-G338 PolarHBondContact N-O 2.56Å; S305-G338 PolarHBondContact O-N 3.4Å; S305-L340 VanDerWaalsContact CB-CD1 3.4Å
306	M	98.8	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.5	-178.1	-58	174	-81.1	0	0	110.1	L304 W313 I314 R316 Y329 F337 I375	L304-M306 HydrophobicContact CD1-CG 4.08Å; L304-M306 HydrophobicContact CD2-CE 4.18Å; L304-M306 HydrophobicContact CD2-CG 4.28Å; L304-M306 HydrophobicContact CD2-SD 3.93Å; L304-M306 HydrophobicContact CG-CE 4.36Å; L304-M306 HydrophobicContact CG-CG 3.94Å; L304-M306 HydrophobicContact CG-SD 4.23Å; M306-W313 CarbonylContact O-C 3.49Å; M306-W313 WeakPolarHBondContact O-CA 3.5Å; M306-I314 HydrophobicContact CB-CB 4.28Å; M306-I314 HydrophobicContact CE-CB 3.88Å; M306-I314 HydrophobicContact CE-CD1 4.25Å; M306-I314 HydrophobicContact CE-CG2 3.51Å; M306-I314 PolarHBondContact N-O 2.97Å; M306-I314 PolarHBondContact O-N 3.12Å; M306-R316 HydrophobicContact CE-CB 4.49Å; M306-Y329 HydrophobicContact CE-CD1 4.12Å; M306-Y329 HydrophobicContact CE-CD2 3.88Å; M306-Y329 HydrophobicContact CE-CE1 4.41Å; M306-Y329 HydrophobicContact CE-CE2 4.18Å; M306-Y329 HydrophobicContact CE-CG 3.86Å; M306-Y329 HydrophobicContact SD-CD2 3.75Å; M306-Y329 HydrophobicContact SD-CG 3.84Å; M306-F337 HydrophobicContact CG-CB 4.13Å; M306-I375 HydrophobicContact CB-CD1 4.16Å; M306-I375 HydrophobicContact CG-CD1 3.79Å; M306-I375 HydrophobicContact SD-CB 4.12Å; M306-I375 HydrophobicContact SD-CD1 3.76Å; M306-I375 HydrophobicContact SD-CG2 4.07Å
307	W	98.6	Very high	97.6	Very high	67 Å²	67	20.1 Å²	20.1	25%	0.254	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	98.4	166.3	-172.5	20.6	0	0	0	108.7	W313 K335 G336 W363 V420	W307-W313 HydrophobicContact CB-CD2 4.04Å; W307-W313 HydrophobicContact CB-CE3 3.94Å; W307-W313 HydrophobicContact CB-CH2 3.7Å; W307-W313 HydrophobicContact CB-CZ2 3.79Å; W307-W313 HydrophobicContact CB-CZ3 3.78Å; W307-W313 AromaticContact CD1-CD1 3.88Å; W307-W313 AromaticContact CD1-CD2 3.93Å; W307-W313 AromaticContact CD1-CE2 3.46Å; W307-W313 VanDerWaalsContact CD1-CE2 3.46Å; W307-W313 AromaticContact CD1-CZ2 3.86Å; W307-W313 AromaticContact CD1-NE1 3.42Å; W307-W313 AromaticContact CD2-CE2 3.85Å; W307-W313 HydrophobicContact CD2-CH2 4.02Å; W307-W313 AromaticContact CD2-CZ2 3.41Å; W307-W313 HydrophobicContact CD2-CZ2 3.41Å; W307-W313 VanDerWaalsContact CD2-CZ2 3.41Å; W307-W313 AromaticContact CE2-CE2 4Å; W307-W313 AromaticContact CE2-CZ2 3.85Å; W307-W313 AromaticContact CE2-NE1 3.89Å; W307-W313 HydrophobicContact CE3-CH2 4.13Å; W307-W313 AromaticContact CE3-CZ2 3.78Å; W307-W313 HydrophobicContact CE3-CZ2 3.78Å; W307-W313 HydrophobicContact CG-CD2 4.02Å; W307-W313 AromaticContact CG-CE2 3.51Å; W307-W313 HydrophobicContact CG-CE3 4.39Å; W307-W313 AromaticContact CG-CH2 3.88Å; W307-W313 HydrophobicContact CG-CH2 3.88Å; W307-W313 AromaticContact CG-CZ2 3.44Å; W307-W313 HydrophobicContact CG-CZ2 3.44Å; W307-W313 VanDerWaalsContact CG-CZ2 3.44Å; W307-W313 HydrophobicContact CG-CZ3 4.34Å; W307-W313 AromaticContact CG-NE1 3.94Å; W307-W313 HydrophobicContact CZ3-CZ2 4.49Å; W307-W313 AromaticContact NE1-CE2 3.75Å; W307-W313 AromaticContact NE1-NE1 3.37Å; W307-K335 HydrophobicContact CB-CB 4.23Å; W307-K335 HydrophobicContact CD2-CB 3.42Å; W307-K335 VanDerWaalsContact CD2-CB 3.42Å; W307-K335 HydrophobicContact CD2-CD 3.76Å; W307-K335 HydrophobicContact CD2-CG 4.24Å; W307-K335 HydrophobicContact CE3-CB 3.45Å; W307-K335 VanDerWaalsContact CE3-CB 3.45Å; W307-K335 HydrophobicContact CE3-CD 4.28Å; W307-K335 HydrophobicContact CG-CB 3.76Å; W307-K335 HydrophobicContact CG-CD 4.25Å; W307-K335 HydrophobicContact CH2-CD 4.12Å; W307-K335 HydrophobicContact CZ2-CD 3.57Å; W307-K335 HydrophobicContact CZ3-CB 4.02Å; W307-K335 HydrophobicContact CZ3-CD 4.43Å; W307-K335 PolarHBondContact O-N 3.25Å; W307-G336 PolarHBondContact N-O 3Å; W307-G336 PolarHBondContact O-N 3.08Å; W307-W363 HydrophobicContact CB-CH2 4.14Å; W307-W363 HydrophobicContact CB-CZ2 4.15Å; W307-V420 HydrophobicContact CE3-CG2 4.21Å; W307-V420 HydrophobicContact CZ3-CB 4.38Å; W307-V420 HydrophobicContact CZ3-CG1 4.16Å; W307-V420 HydrophobicContact CZ3-CG2 4.41Å
308	R	98.5	Very high	97.7	Very high	58 Å²	58	19.7 Å²	19.7	22%	0.219	11%	0.105	C	C	.	.			trans	-72	160.3	-169.5	-67	-176	68.1	-162.6	8.3	112.6	N310 G311 E312 I314 T330 D331	R308-N310 WeakPolarHBondContact CB-OD1 3.19Å; R308-N310 PolarHBondContact O-N 3.03Å; R308-G311 WeakPolarHBondContact O-CA 3.39Å; R308-G311 PolarHBondContact O-N 3.15Å; R308-E312 HydrophobicContact CB-CB 4.38Å; R308-E312 WeakPolarHBondContact CB-O 3.42Å; R308-E312 IonicContact CZ-OE2 2.99Å; R308-E312 PolarHBondContact N-O 2.92Å; R308-E312 IonicContact NH1-OE2 3.23Å; R308-E312 PolarHBondContact NH1-OE2 3.35Å; R308-I314 VanDerWaalsContact CD-CD1 3.44Å; R308-I314 HydrophobicContact CG-CD1 4.26Å; R308-T330 PolarHBondContact NH2-O 3.38Å; R308-D331 WeakPolarHBondContact CA-OD2 3.32Å; R308-D331 WeakPolarHBondContact CB-OD2 3.02Å
309	G	98.3	Very high	97.8	Very high	24 Å²	24	19.5 Å²	19.5	25%	0.247	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33	177.5	0	0	0	0	0	113.2	G311 D331 N332 N333	G309-G311 PolarHBondContact O-N 2.8Å; G309-D331 PolarHBondContact N-OD1 2.86Å; G309-D331 PolarHBondContact N-OD2 3.41Å; G309-N332 WeakPolarHBondContact CA-O 3.21Å; G309-N333 WeakPolarHBondContact CA-O 3.44Å
310	N	97.4	Very high	97.7	Very high	108 Å²	108	19.5 Å²	19.5	58%	0.578	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.5	173.6	72.5	-8.5	0	0	0	114.2	R308 E312	R308-N310 WeakPolarHBondContact CB-OD1 3.19Å; R308-N310 PolarHBondContact O-N 3.03Å; N310-E312 VanDerWaalsContact OD1-CB 3.32Å; N310-E312 WeakPolarHBondContact OD1-CB 3.28Å; N310-E312 PolarHBondContact OD1-N 2.79Å
311	G	97	Very high	97.7	Very high	28 Å²	28	19.4 Å²	19.4	29%	0.289	10%	0.104	S	C	.	.	S	Bend	trans	91.7	-5.3	-179.7	0	0	0	0	0	115.8	R308 G309 W313	R308-G311 WeakPolarHBondContact O-CA 3.39Å; R308-G311 PolarHBondContact O-N 3.15Å; G309-G311 PolarHBondContact O-N 2.8Å; G311-W313 PolarHBondContact O-N 3.48Å
312	E	97.9	Very high	97.4	Very high	40 Å²	40	26.2 Å²	26.2	19%	0.187	14%	0.135	C	C	.	.			trans	-65.6	131.2	175.4	-175.5	-177.8	-158.3	0	0	110.7	R308 N310 I314 R516 T529	R308-E312 HydrophobicContact CB-CB 4.38Å; R308-E312 WeakPolarHBondContact CB-O 3.42Å; R308-E312 IonicContact CZ-OE2 2.99Å; R308-E312 PolarHBondContact N-O 2.92Å; R308-E312 IonicContact NH1-OE2 3.23Å; R308-E312 PolarHBondContact NH1-OE2 3.35Å; N310-E312 VanDerWaalsContact OD1-CB 3.32Å; N310-E312 WeakPolarHBondContact OD1-CB 3.28Å; N310-E312 PolarHBondContact OD1-N 2.79Å; E312-I314 HydrophobicContact CG-CD1 4.46Å; E312-I314 HydrophobicContact CG-CG1 3.97Å; E312-R516 IonicContact OE1-CZ 3.85Å; E312-R516 IonicContact OE1-NH2 2.8Å; E312-R516 PolarHBondContact OE1-NH2 3.34Å; E312-T529 PolarHBondContact OE1-OG1 3.18Å
313	W	98.4	Very high	97.3	Very high	22 Å²	22	32.4 Å²	32.4	8%	0.083	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.8	167.8	-77.8	93.1	0	0	0	109.9	M306 W307 G311 W363 V420 C422 E528 T529	M306-W313 CarbonylContact O-C 3.49Å; M306-W313 WeakPolarHBondContact O-CA 3.5Å; W307-W313 HydrophobicContact CB-CD2 4.04Å; W307-W313 HydrophobicContact CB-CE3 3.94Å; W307-W313 HydrophobicContact CB-CH2 3.7Å; W307-W313 HydrophobicContact CB-CZ2 3.79Å; W307-W313 HydrophobicContact CB-CZ3 3.78Å; W307-W313 AromaticContact CD1-CD1 3.88Å; W307-W313 AromaticContact CD1-CD2 3.93Å; W307-W313 AromaticContact CD1-CE2 3.46Å; W307-W313 VanDerWaalsContact CD1-CE2 3.46Å; W307-W313 AromaticContact CD1-CZ2 3.86Å; W307-W313 AromaticContact CD1-NE1 3.42Å; W307-W313 AromaticContact CD2-CE2 3.85Å; W307-W313 HydrophobicContact CD2-CH2 4.02Å; W307-W313 AromaticContact CD2-CZ2 3.41Å; W307-W313 HydrophobicContact CD2-CZ2 3.41Å; W307-W313 VanDerWaalsContact CD2-CZ2 3.41Å; W307-W313 AromaticContact CE2-CE2 4Å; W307-W313 AromaticContact CE2-CZ2 3.85Å; W307-W313 AromaticContact CE2-NE1 3.89Å; W307-W313 HydrophobicContact CE3-CH2 4.13Å; W307-W313 AromaticContact CE3-CZ2 3.78Å; W307-W313 HydrophobicContact CE3-CZ2 3.78Å; W307-W313 HydrophobicContact CG-CD2 4.02Å; W307-W313 AromaticContact CG-CE2 3.51Å; W307-W313 HydrophobicContact CG-CE3 4.39Å; W307-W313 AromaticContact CG-CH2 3.88Å; W307-W313 HydrophobicContact CG-CH2 3.88Å; W307-W313 AromaticContact CG-CZ2 3.44Å; W307-W313 HydrophobicContact CG-CZ2 3.44Å; W307-W313 VanDerWaalsContact CG-CZ2 3.44Å; W307-W313 HydrophobicContact CG-CZ3 4.34Å; W307-W313 AromaticContact CG-NE1 3.94Å; W307-W313 HydrophobicContact CZ3-CZ2 4.49Å; W307-W313 AromaticContact NE1-CE2 3.75Å; W307-W313 AromaticContact NE1-NE1 3.37Å; G311-W313 PolarHBondContact O-N 3.48Å; W313-W363 AromaticContact CH2-CH2 3.9Å; W313-W363 HydrophobicContact CH2-CH2 3.9Å; W313-W363 HydrophobicContact CH2-CZ2 4.07Å; W313-W363 AromaticContact CZ3-CH2 3.51Å; W313-W363 HydrophobicContact CZ3-CH2 3.51Å; W313-W363 HydrophobicContact CZ3-CZ2 4.16Å; W313-W363 HydrophobicContact CZ3-CZ3 4.28Å; W313-V420 HydrophobicContact CH2-CB 4.13Å; W313-V420 HydrophobicContact CH2-CG2 3.82Å; W313-V420 HydrophobicContact CZ2-CB 4.46Å; W313-C422 HydrophobicContact CB-CB 3.98Å; W313-C422 HydrophobicContact CD2-CB 3.9Å; W313-C422 HydrophobicContact CE3-CB 4.36Å; W313-C422 HydrophobicContact CG-CB 3.71Å; W313-E528 HydrophobicContact CB-CB 3.81Å; W313-T529 PolarHBondContact O-N 3.36Å
314	I	98.6	Very high	97.2	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.9	179.3	-56.5	-173.5	0	0	0	109.8	S305 M306 R308 E312 T529 L531	S305-I314 CarbonylContact C-O 3.52Å; S305-I314 VanDerWaalsContact CA-O 3.32Å; S305-I314 WeakPolarHBondContact CA-O 3.25Å; M306-I314 HydrophobicContact CB-CB 4.28Å; M306-I314 HydrophobicContact CE-CB 3.88Å; M306-I314 HydrophobicContact CE-CD1 4.25Å; M306-I314 HydrophobicContact CE-CG2 3.51Å; M306-I314 PolarHBondContact N-O 2.97Å; M306-I314 PolarHBondContact O-N 3.12Å; R308-I314 VanDerWaalsContact CD-CD1 3.44Å; R308-I314 HydrophobicContact CG-CD1 4.26Å; E312-I314 HydrophobicContact CG-CD1 4.46Å; E312-I314 HydrophobicContact CG-CG1 3.97Å; I314-T529 CarbonylContact C-O 3.47Å; I314-T529 VanDerWaalsContact CA-O 3.31Å; I314-T529 WeakPolarHBondContact CA-O 3.34Å; I314-L531 HydrophobicContact CD1-CD1 4.13Å; I314-L531 HydrophobicContact CG2-CB 4.25Å; I314-L531 HydrophobicContact CG2-CD1 3.65Å; I314-L531 HydrophobicContact CG2-CG 3.66Å
315	C	98.6	Very high	97.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.9	164.2	175.5	0	0	0	0	109.3	V427 E528 T529 W530 L531	C315-V427 HydrophobicContact CB-CB 4.15Å; C315-V427 HydrophobicContact CB-CG2 4.11Å; C315-E528 HydrophobicContact CB-CG 4.17Å; C315-E528 WeakPolarHBondContact CB-OE1 3.14Å; C315-T529 PolarHBondContact N-O 2.78Å; C315-W530 WeakPolarHBondContact O-CA 3.29Å; C315-L531 PolarHBondContact O-N 2.96Å
316	R	98.4	Very high	97	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	98.3	173.2	171.9	54.7	171.6	110.8	12.8	108.7	R303 L304 M306 N319 Y329 L377 E379 L531 Q533	R303-R316 CarbonylContact C-O 3.6Å; R303-R316 WeakPolarHBondContact CA-O 3.32Å; L304-R316 HydrophobicContact CB-CB 4.26Å; L304-R316 PolarHBondContact N-O 3.46Å; L304-R316 PolarHBondContact O-N 3.15Å; M306-R316 HydrophobicContact CE-CB 4.49Å; R316-N319 PolarHBondContact NH1-ND2 3.44Å; R316-N319 PolarHBondContact NH2-ND2 3.29Å; R316-Y329 WeakPolarHBondContact CG-OH 3.44Å; R316-Y329 PolarHBondContact NE-OH 3.42Å; R316-L377 HydrophobicContact CG-CD2 4.09Å; R316-E379 IonicContact NH2-OE1 2.95Å; R316-E379 IonicContact NH2-OE2 3.94Å; R316-E379 PolarHBondContact NH2-OE2 3.42Å; R316-L531 WeakPolarHBondContact CA-O 3.44Å; R316-L531 HydrophobicContact CB-CB 4.34Å; R316-L531 WeakPolarHBondContact CD-O 3.18Å; R316-Q533 VanDerWaalsContact NH2-CB 3.29Å
317	P	98.1	Very high	96.9	Very high	6 Å²	6	39 Å²	39	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	144.7	171.9	-23	33.7	0	0	0	110.6	D302 T430 L531 Y532	D302-P317 WeakPolarHBondContact O-CA 3.32Å; P317-T430 HydrophobicContact CG-CG2 4.35Å; P317-T430 VanDerWaalsContact CG-OG1 3.28Å; P317-T430 WeakPolarHBondContact CG-OG1 3.45Å; P317-L531 WeakPolarHBondContact CD-O 3.25Å; P317-Y532 HydrophobicContact CB-CD2 4.1Å; P317-Y532 HydrophobicContact CB-CE2 4.17Å; P317-Y532 HydrophobicContact CG-CD2 4.17Å
318	L	97.7	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.			trans	-81.6	158.6	178.7	-61.2	174.7	0	0	0	111.2	F281 N286 S301 D302 L304 L339 L377 E379 I390	F281-L318 HydrophobicContact CB-CB 4.09Å; F281-L318 HydrophobicContact CB-CD1 4.28Å; F281-L318 HydrophobicContact CD1-CB 4.15Å; F281-L318 HydrophobicContact CD2-CB 3.95Å; F281-L318 VanDerWaalsContact CE1-O 3.3Å; F281-L318 WeakPolarHBondContact CE1-O 3.43Å; F281-L318 HydrophobicContact CE2-CB 4.41Å; F281-L318 HydrophobicContact CG-CB 3.8Å; F281-L318 WeakPolarHBondContact CZ-O 3.3Å; N286-L318 PolarHBondContact ND2-O 3.39Å; S301-L318 WeakPolarHBondContact O-CD1 3.24Å; D302-L318 PolarHBondContact O-N 2.96Å; L304-L318 HydrophobicContact CB-CD2 4.43Å; L318-L339 HydrophobicContact CD1-CD2 4.41Å; L318-L339 HydrophobicContact CD2-CD2 4.31Å; L318-L377 HydrophobicContact CD2-CD1 3.86Å; L318-L377 HydrophobicContact CD2-CD2 4.05Å; L318-E379 WeakPolarHBondContact CA-OE1 3Å; L318-I390 HydrophobicContact CB-CD1 4.43Å; L318-I390 HydrophobicContact CD1-CD1 4.46Å; L318-I390 HydrophobicContact CD1-CG1 4.15Å; L318-I390 HydrophobicContact CD1-CG2 4.09Å; L318-I390 HydrophobicContact CD2-CD1 4.45Å; L318-I390 HydrophobicContact CD2-CG2 4.1Å
319	N	95.9	Very high	96.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.199	C	C	.	.			trans	-127.7	160.3	177.9	-78.9	-45.2	0	0	0	111.4	N286 R316 P321 E379 Y532 Q533 F535	N286-N319 PolarHBondContact ND2-OD1 2.89Å; R316-N319 PolarHBondContact NH1-ND2 3.44Å; R316-N319 PolarHBondContact NH2-ND2 3.29Å; N319-P321 WeakPolarHBondContact O-CD 3.3Å; N319-E379 PolarHBondContact N-OE1 3.04Å; N319-Y532 PolarHBondContact OD1-OH 2.95Å; N319-Q533 PolarHBondContact ND2-O 2.6Å; N319-F535 HydrophobicContact CB-CE2 4.06Å
320	N	95.5	Very high	96.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.21	C	C	.	.			trans	-114.1	80.2	164.4	-174.9	-0.7	0	0	0	109.1	F281 S282 E287 R289 M290 T382	F281-N320 HydrophobicContact CD1-CB 4.4Å; S282-N320 VanDerWaalsContact O-CB 3.27Å; S282-N320 WeakPolarHBondContact O-CB 3.45Å; S282-N320 PolarHBondContact O-ND2 2.9Å; E287-N320 HydrophobicContact CG-CB 4.04Å; R289-N320 PolarHBondContact NH2-O 3.21Å; M290-N320 WeakPolarHBondContact CG-ND2 3.36Å; N320-T382 VanDerWaalsContact ND2-CG2 3.35Å; N320-T382 WeakPolarHBondContact ND2-CG2 3.41Å; N320-T382 PolarHBondContact ND2-O 2.98Å; N320-T382 PolarHBondContact OD1-N 2.98Å; N320-T382 PolarHBondContact OD1-O 3.3Å
321	P	94.8	Very high	96.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	19%	0.186	C	C	.	.			trans	-70.5	159.3	-172.8	32.1	-37.8	0	0	0	111.8	N319 K323 Q325 E379 P381 F535	N319-P321 WeakPolarHBondContact O-CD 3.3Å; P321-K323 VanDerWaalsContact C-N 3.31Å; P321-K323 WeakPolarHBondContact CB-O 3.07Å; P321-K323 WeakPolarHBondContact CG-O 3.46Å; P321-Q325 HydrophobicContact CB-CG 3.75Å; P321-Q325 HydrophobicContact CG-CB 4.37Å; P321-Q325 HydrophobicContact CG-CG 3.82Å; P321-E379 HydrophobicContact CG-CB 3.79Å; P321-E379 WeakPolarHBondContact CG-O 3.01Å; P321-P381 VanDerWaalsContact O-CA 3.31Å; P321-P381 WeakPolarHBondContact O-CA 3.48Å; P321-P381 VanDerWaalsContact O-CB 3.24Å; P321-P381 WeakPolarHBondContact O-CB 3.48Å; P321-P381 WeakPolarHBondContact O-CG 3.48Å; P321-F535 HydrophobicContact CB-CD2 4.2Å; P321-F535 HydrophobicContact CB-CE1 4.33Å; P321-F535 HydrophobicContact CB-CE2 3.73Å; P321-F535 HydrophobicContact CB-CZ 3.81Å
322	Q	92.4	Very high	97	Very high	142 Å²	142	38.1 Å²	38.1	66%	0.664	19%	0.194	S	C	*	.	S	Bend	trans	-79.2	-15.6	175.7	-65.8	-175.5	-81.7	0	0	113.5
323	K	93.4	Very high	97	Very high	150 Å²	150	38.8 Å²	38.8	65%	0.652	20%	0.199	S	C	*	.	S	Bend	trans	-131.8	148	176	-63.1	177.9	-175.3	171.5	0	108.4	P321 Q325	P321-K323 VanDerWaalsContact C-N 3.31Å; P321-K323 WeakPolarHBondContact CB-O 3.07Å; P321-K323 WeakPolarHBondContact CG-O 3.46Å; K323-Q325 WeakPolarHBondContact O-CG 3.5Å; K323-Q325 PolarHBondContact O-N 2.96Å; K323-Q325 PolarHBondContact O-NE2 3.45Å; K323-Q325 VanDerWaalsContact O-NE2 3.14Å
324	L	94.9	Very high	97	Very high	75 Å²	75	38 Å²	38	39%	0.393	20%	0.197	S	C	.	.			trans	-51.6	125.1	175.1	179.2	64.2	0	0	0	110.9	Y204 M378 I380	Y204-L324 HydrophobicContact CD2-CD2 3.81Å; Y204-L324 HydrophobicContact CD2-CG 4.21Å; Y204-L324 HydrophobicContact CE2-CD2 3.61Å; Y204-L324 HydrophobicContact CE2-CG 3.85Å; L324-M378 HydrophobicContact CD1-CE 3.99Å; L324-M378 HydrophobicContact CD1-CG 3.68Å; L324-M378 HydrophobicContact CD1-SD 4.01Å; L324-I380 HydrophobicContact CD1-CB 4.23Å; L324-I380 HydrophobicContact CD1-CG1 3.65Å
325	Q	96.4	Very high	97	Very high	29 Å²	29	42 Å²	42	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.1	175.3	-59.2	-56.4	-48.2	0	0	110.8	P321 K323 M378 E379 F535	P321-Q325 HydrophobicContact CB-CG 3.75Å; P321-Q325 HydrophobicContact CG-CB 4.37Å; P321-Q325 HydrophobicContact CG-CG 3.82Å; K323-Q325 WeakPolarHBondContact O-CG 3.5Å; K323-Q325 PolarHBondContact O-N 2.96Å; K323-Q325 PolarHBondContact O-NE2 3.45Å; K323-Q325 VanDerWaalsContact O-NE2 3.14Å; Q325-M378 WeakPolarHBondContact O-CA 3.38Å; Q325-M378 WeakPolarHBondContact O-CG 3.4Å; Q325-E379 HydrophobicContact CB-CB 4.41Å; Q325-E379 PolarHBondContact N-O 3Å; Q325-E379 PolarHBondContact O-N 3.38Å; Q325-F535 HydrophobicContact CG-CE1 3.55Å; Q325-F535 HydrophobicContact CG-CZ 3.59Å
326	F	96.9	Very high	97	Very high	42 Å²	42	41.9 Å²	41.9	18%	0.184	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	119.8	170.7	-175.2	-98.1	0	0	0	109.4	Y204 A328 L377 M378 F393	Y204-F326 HydrophobicContact CD1-CB 3.47Å; Y204-F326 VanDerWaalsContact CD1-CB 3.47Å; Y204-F326 AromaticContact CD1-CD1 3.64Å; Y204-F326 HydrophobicContact CD1-CD1 3.64Å; Y204-F326 AromaticContact CD1-CD2 3.97Å; Y204-F326 HydrophobicContact CD1-CD2 3.97Å; Y204-F326 HydrophobicContact CD1-CE1 4.35Å; Y204-F326 AromaticContact CD1-CG 3.4Å; Y204-F326 HydrophobicContact CD1-CG 3.4Å; Y204-F326 VanDerWaalsContact CD1-CG 3.4Å; Y204-F326 HydrophobicContact CD2-CB 3.85Å; Y204-F326 HydrophobicContact CD2-CD2 4.48Å; Y204-F326 HydrophobicContact CD2-CG 4.33Å; Y204-F326 HydrophobicContact CE1-CB 3.41Å; Y204-F326 VanDerWaalsContact CE1-CB 3.41Å; Y204-F326 AromaticContact CE1-CD1 3.99Å; Y204-F326 HydrophobicContact CE1-CD1 3.99Å; Y204-F326 AromaticContact CE1-CG 3.83Å; Y204-F326 HydrophobicContact CE1-CG 3.83Å; Y204-F326 HydrophobicContact CE2-CB 3.8Å; Y204-F326 HydrophobicContact CG-CB 3.68Å; Y204-F326 HydrophobicContact CG-CD1 4.33Å; Y204-F326 AromaticContact CG-CD2 3.81Å; Y204-F326 HydrophobicContact CG-CD2 3.81Å; Y204-F326 AromaticContact CG-CG 3.68Å; Y204-F326 HydrophobicContact CG-CG 3.68Å; F326-A328 HydrophobicContact CE1-CB 4.04Å; F326-L377 CarbonylContact C-O 3.55Å; F326-L377 VanDerWaalsContact CA-O 3.3Å; F326-L377 WeakPolarHBondContact CA-O 3.41Å; F326-M378 HydrophobicContact CD2-CB 3.95Å; F326-M378 HydrophobicContact CD2-CG 4.25Å; F326-F393 HydrophobicContact CE2-CE1 4.48Å; F326-F393 AromaticContact CE2-CZ 3.82Å; F326-F393 HydrophobicContact CE2-CZ 3.82Å; F326-F393 HydrophobicContact CZ-CE2 4.47Å; F326-F393 HydrophobicContact CZ-CZ 4.19Å
327	N	97.7	Very high	97	Very high	18 Å²	18	41.9 Å²	41.9	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.1	173	-60.8	117.8	0	0	0	109.6	Y329 G376 L377 Q533	N327-Y329 HydrophobicContact CB-CE1 4.46Å; N327-Y329 HydrophobicContact CB-CE2 3.86Å; N327-G376 CarbonylContact O-C 3.59Å; N327-G376 WeakPolarHBondContact O-CA 3.31Å; N327-L377 PolarHBondContact N-O 2.98Å; N327-L377 PolarHBondContact O-N 3.15Å; N327-Q533 PolarHBondContact ND2-NE2 3.04Å
328	A	97.6	Very high	97.1	Very high	53 Å²	53	41.6 Å²	41.6	44%	0.438	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	107	177.7	0	0	0	0	0	110.2	F326 T330 T374	F326-A328 HydrophobicContact CE1-CB 4.04Å; A328-T330 PolarHBondContact O-N 2.94Å; A328-T374 HydrophobicContact CB-CG2 4.01Å
329	Y	98.2	Very high	97.1	Very high	35 Å²	35	41.6 Å²	41.6	14%	0.137	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	101.8	179.9	-56	-74.5	0	0	0	109.7	L304 M306 R316 N327 D331 T374 I375 L377 L531	L304-Y329 HydrophobicContact CD2-CD2 4.16Å; L304-Y329 HydrophobicContact CD2-CE2 3.93Å; M306-Y329 HydrophobicContact CE-CD1 4.12Å; M306-Y329 HydrophobicContact CE-CD2 3.88Å; M306-Y329 HydrophobicContact CE-CE1 4.41Å; M306-Y329 HydrophobicContact CE-CE2 4.18Å; M306-Y329 HydrophobicContact CE-CG 3.86Å; M306-Y329 HydrophobicContact SD-CD2 3.75Å; M306-Y329 HydrophobicContact SD-CG 3.84Å; R316-Y329 WeakPolarHBondContact CG-OH 3.44Å; R316-Y329 PolarHBondContact NE-OH 3.42Å; N327-Y329 HydrophobicContact CB-CE1 4.46Å; N327-Y329 HydrophobicContact CB-CE2 3.86Å; Y329-D331 PolarHBondContact O-N 3.15Å; Y329-T374 CarbonylContact O-C 3.55Å; Y329-T374 VanDerWaalsContact O-CA 3.25Å; Y329-T374 WeakPolarHBondContact O-CA 3.45Å; Y329-I375 WeakPolarHBondContact CD2-O 3.31Å; Y329-I375 PolarHBondContact N-O 3.31Å; Y329-I375 PolarHBondContact O-N 2.79Å; Y329-L377 HydrophobicContact CE2-CB 4.13Å; Y329-L377 HydrophobicContact CE2-CD2 4.49Å; Y329-L531 HydrophobicContact CD1-CD1 4.01Å; Y329-L531 HydrophobicContact CE1-CD1 3.64Å
330	T	98.3	Very high	97.2	Very high	79 Å²	79	41.7 Å²	41.7	49%	0.485	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.5	-179.2	-60.8	0	0	0	0	111.2	R308 A328 G373	R308-T330 PolarHBondContact NH2-O 3.38Å; A328-T330 PolarHBondContact O-N 2.94Å; T330-G373 WeakPolarHBondContact CA-O 3.41Å
331	D	98.5	Very high	97.2	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.064	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	172.2	176.2	-153.5	-3.2	0	0	0	111.7	R308 G309 Y329 P334 G373 W394	R308-D331 WeakPolarHBondContact CA-OD2 3.32Å; R308-D331 WeakPolarHBondContact CB-OD2 3.02Å; G309-D331 PolarHBondContact N-OD1 2.86Å; G309-D331 PolarHBondContact N-OD2 3.41Å; Y329-D331 PolarHBondContact O-N 3.15Å; D331-P334 WeakPolarHBondContact OD2-CB 3.02Å; D331-G373 PolarHBondContact N-O 2.88Å; D331-G373 PolarHBondContact O-N 2.91Å; D331-G373 VanDerWaalsContact O-O 3.1Å; D331-W394 HydrophobicContact CB-CH2 4.15Å; D331-W394 HydrophobicContact CB-CZ3 3.91Å
332	N	98.5	Very high	97.2	Very high	87 Å²	87	43.5 Å²	43.5	47%	0.465	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	112.8	173.3	-179.5	16	0	0	0	109.9	G309 G371 K372	G309-N332 WeakPolarHBondContact CA-O 3.21Å; N332-G371 CarbonylContact C-O 3.56Å; N332-G371 WeakPolarHBondContact CA-O 3.43Å; N332-G371 PolarHBondContact OD1-O 3.47Å; N332-K372 PolarHBondContact OD1-N 2.86Å
333	N	98.3	Very high	97.3	Very high	53 Å²	53	38.3 Å²	38.3	28%	0.283	20%	0.198	S	C	.	.	S	Bend	trans	52.9	67.8	-171.2	-57.5	-64.8	0	0	0	112.2	G309 K369 W370 G371	G309-N333 WeakPolarHBondContact CA-O 3.44Å; N333-K369 VanDerWaalsContact OD1-C 3.29Å; N333-K369 VanDerWaalsContact OD1-CA 3.24Å; N333-K369 WeakPolarHBondContact OD1-CA 3.41Å; N333-K369 VanDerWaalsContact OD1-CB 3.31Å; N333-K369 WeakPolarHBondContact OD1-CB 3.22Å; N333-W370 PolarHBondContact OD1-N 2.87Å; N333-G371 PolarHBondContact N-O 3.19Å; N333-G371 PolarHBondContact OD1-N 2.9Å
334	P	98.4	Very high	97.4	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.032	18%	0.177	C	C	.	.			trans	-54.6	142.8	174.4	24.7	-33.8	0	0	0	110.3	D331 P366 W370 I375 W394	D331-P334 WeakPolarHBondContact OD2-CB 3.02Å; P334-P366 HydrophobicContact CG-CG 4.27Å; P334-P366 WeakPolarHBondContact O-CG 3.35Å; P334-W370 HydrophobicContact CG-CE3 4.16Å; P334-I375 HydrophobicContact CB-CD1 4.38Å; P334-W394 HydrophobicContact CG-CD2 4.34Å; P334-W394 HydrophobicContact CG-CE3 3.83Å; P334-W394 HydrophobicContact CG-CH2 4.07Å; P334-W394 HydrophobicContact CG-CZ3 3.69Å
335	K	98.6	Very high	97.5	Very high	90 Å²	90	34.1 Å²	34.1	39%	0.391	18%	0.179	S	C	.	.	S	Bend	trans	-84.4	-24.2	176.7	-64.5	178.5	179.5	179.6	0	111.8	W307	W307-K335 HydrophobicContact CB-CB 4.23Å; W307-K335 HydrophobicContact CD2-CB 3.42Å; W307-K335 VanDerWaalsContact CD2-CB 3.42Å; W307-K335 HydrophobicContact CD2-CD 3.76Å; W307-K335 HydrophobicContact CD2-CG 4.24Å; W307-K335 HydrophobicContact CE3-CB 3.45Å; W307-K335 VanDerWaalsContact CE3-CB 3.45Å; W307-K335 HydrophobicContact CE3-CD 4.28Å; W307-K335 HydrophobicContact CG-CB 3.76Å; W307-K335 HydrophobicContact CG-CD 4.25Å; W307-K335 HydrophobicContact CH2-CD 4.12Å; W307-K335 HydrophobicContact CZ2-CD 3.57Å; W307-K335 HydrophobicContact CZ3-CB 4.02Å; W307-K335 HydrophobicContact CZ3-CD 4.43Å; W307-K335 PolarHBondContact O-N 3.25Å
336	G	98.7	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.6	166	167	0	0	0	0	0	112.2	W307 W363 V364	W307-G336 PolarHBondContact N-O 3Å; W307-G336 PolarHBondContact O-N 3.08Å; G336-W363 VanDerWaalsContact C-CZ2 3.43Å; G336-V364 CarbonylContact C-O 3.48Å; G336-V364 WeakPolarHBondContact CA-O 3.27Å
337	F	98.8	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	155.2	174.6	60.6	-77.2	0	0	0	109.6	A275 M277 S305 M306 V364 W370 I375 W394	A275-F337 HydrophobicContact CB-CZ 4.5Å; M277-F337 HydrophobicContact CE-CD2 3.67Å; M277-F337 HydrophobicContact CE-CE2 3.69Å; S305-F337 CarbonylContact O-C 3.55Å; S305-F337 WeakPolarHBondContact O-CA 3.13Å; M306-F337 HydrophobicContact CG-CB 4.13Å; F337-V364 HydrophobicContact CD1-CB 4.18Å; F337-V364 HydrophobicContact CD2-CG2 4.37Å; F337-V364 HydrophobicContact CE1-CB 3.81Å; F337-V364 HydrophobicContact CE1-CG1 3.75Å; F337-V364 HydrophobicContact CE1-CG2 4.39Å; F337-V364 HydrophobicContact CE2-CB 4.19Å; F337-V364 HydrophobicContact CE2-CG2 3.89Å; F337-V364 HydrophobicContact CG-CB 4.49Å; F337-V364 HydrophobicContact CZ-CB 3.82Å; F337-V364 HydrophobicContact CZ-CG1 3.81Å; F337-V364 HydrophobicContact CZ-CG2 3.9Å; F337-V364 PolarHBondContact N-O 3.12Å; F337-V364 WeakPolarHBondContact O-CA 3.4Å; F337-V364 WeakPolarHBondContact O-CB 3.39Å; F337-V364 PolarHBondContact O-N 3.24Å; F337-W370 HydrophobicContact CE1-CH2 4.16Å; F337-W370 AromaticContact CE1-CZ3 3.59Å; F337-W370 HydrophobicContact CE1-CZ3 3.59Å; F337-W370 HydrophobicContact CZ-CH2 4.32Å; F337-W370 AromaticContact CZ-CZ3 3.94Å; F337-W370 HydrophobicContact CZ-CZ3 3.94Å; F337-I375 HydrophobicContact CB-CD1 3.83Å; F337-I375 HydrophobicContact CD1-CD1 4.19Å; F337-I375 HydrophobicContact CD1-CG1 4.36Å; F337-I375 HydrophobicContact CD2-CG2 4.02Å; F337-I375 HydrophobicContact CG-CD1 4.02Å; F337-I375 HydrophobicContact CG-CG1 4.26Å; F337-I375 HydrophobicContact CG-CG2 4.33Å; F337-W394 HydrophobicContact CE1-CB 4.38Å; F337-W394 HydrophobicContact CZ-CB 4.02Å
338	G	98.7	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	152.3	-176.1	0	0	0	0	0	113.8	L304 S305 L362	L304-G338 WeakPolarHBondContact CA-O 3.25Å; L304-G338 WeakPolarHBondContact CD1-O 3.4Å; S305-G338 PolarHBondContact N-O 2.56Å; S305-G338 PolarHBondContact O-N 3.4Å; G338-L362 CarbonylContact C-O 3.54Å; G338-L362 WeakPolarHBondContact CA-O 3.16Å
339	L	98.8	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.2	164.7	-64.6	179	0	0	0	107.4	L194 M277 R303 L304 L318 L362 I390 C392	L194-L339 HydrophobicContact CD1-CB 3.74Å; L194-L339 HydrophobicContact CD1-CD1 4.5Å; M277-L339 HydrophobicContact CB-CD1 3.79Å; M277-L339 HydrophobicContact CB-CG 4.36Å; M277-L339 HydrophobicContact CE-CG 4.2Å; M277-L339 HydrophobicContact SD-CB 4.4Å; M277-L339 HydrophobicContact SD-CG 4.25Å; R303-L339 WeakPolarHBondContact O-CA 3.24Å; L304-L339 HydrophobicContact CB-CD2 4.12Å; L304-L339 HydrophobicContact CD1-CD2 4.33Å; L318-L339 HydrophobicContact CD1-CD2 4.41Å; L318-L339 HydrophobicContact CD2-CD2 4.31Å; L339-L362 PolarHBondContact N-O 2.99Å; L339-L362 VanDerWaalsContact N-O 3.12Å; L339-L362 PolarHBondContact O-N 2.77Å; L339-I390 HydrophobicContact CD1-CG2 3.91Å; L339-I390 HydrophobicContact CD2-CG2 4.1Å; L339-C392 HydrophobicContact CD1-CB 4.07Å; L339-C392 HydrophobicContact CD2-CB 4.04Å; L339-C392 HydrophobicContact CG-CB 4.08Å
340	L	98.1	Very high	97.4	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.6	-170.8	-51.1	-175.6	0	0	0	111.5	S301 D302 R303 S305 L342 S361 W363 P418	S301-L340 CarbonylContact C-O 3.57Å; S301-L340 VanDerWaalsContact CA-O 3.27Å; S301-L340 WeakPolarHBondContact CA-O 3.41Å; S301-L340 WeakPolarHBondContact CB-O 3.32Å; D302-L340 PolarHBondContact N-O 3.37Å; R303-L340 HydrophobicContact CG-CB 3.89Å; R303-L340 PolarHBondContact N-O 2.91Å; R303-L340 PolarHBondContact O-N 2.78Å; S305-L340 VanDerWaalsContact CB-CD1 3.4Å; L340-L342 HydrophobicContact CB-CD2 4.19Å; L340-L342 HydrophobicContact CB-CG 4.22Å; L340-L342 HydrophobicContact CD1-CD2 4.31Å; L340-S361 WeakPolarHBondContact CA-OG 3.44Å; L340-W363 HydrophobicContact CD2-CE3 4.16Å; L340-P418 HydrophobicContact CD1-CG 4.02Å; L340-P418 HydrophobicContact CD2-CB 4.26Å; L340-P418 HydrophobicContact CD2-CG 4.42Å
341	Q	96.1	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.			trans	-127.6	86.9	170.5	-177.6	110.4	-48.3	0	0	107.8	H299 D300 S301 Y356 S361	H299-Q341 PolarHBondContact CE1-OE1 3.19Å; H299-Q341 PolarHBondContact ND1-OE1 3.42Å; H299-Q341 PolarHBondContact O-NE2 2.94Å; H299-Q341 PolarHBondContact O-OE1 2.94Å; D300-Q341 PolarHBondContact O-OE1 2.62Å; S301-Q341 VanDerWaalsContact CA-OE1 3.25Å; S301-Q341 VanDerWaalsContact N-OE1 3.15Å; Q341-Y356 PolarHBondContact NE2-O 2.8Å; Q341-S361 PolarHBondContact N-OG 3.32Å
342	L	94.1	Very high	97	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.209	21%	0.206	C	C	.	.			trans	-88	-25.6	-175.6	-58.5	-172.6	0	0	0	112.9	L340 R344	L340-L342 HydrophobicContact CB-CD2 4.19Å; L340-L342 HydrophobicContact CB-CG 4.22Å; L340-L342 HydrophobicContact CD1-CD2 4.31Å; L342-R344 PolarHBondContact O-N 2.85Å
343	D	95.2	Very high	96.6	Very high	33 Å²	33	43.5 Å²	43.5	18%	0.176	22%	0.216	C	C	.	.			trans	-76.8	116.3	171.3	-176	4.3	0	0	0	110.5	Q297 D345 H348 Y349	Q297-D343 PolarHBondContact NE2-OD2 3.07Å; D343-D345 PolarHBondContact OD1-N 3.35Å; D343-H348 IonicContact OD1-CE1 3.49Å; D343-H348 IonicContact OD1-CG 3.73Å; D343-H348 IonicContact OD1-ND1 2.73Å; D343-H348 PolarHBondContact OD1-ND1 2.94Å; D343-H348 IonicContact OD2-CE1 3.57Å; D343-H348 IonicContact OD2-CG 2.64Å; D343-H348 IonicContact OD2-ND1 3.74Å; D343-H348 PolarHBondContact OD2-ND1 3.18Å; D343-Y349 WeakPolarHBondContact O-CE2 3.32Å; D343-Y349 PolarHBondContact O-OH 3.04Å
344	R	95	Very high	96.2	Very high	58 Å²	58	41.5 Å²	41.5	22%	0.219	21%	0.207	C	C	.	.			trans	-124.5	8.5	-176.3	-58.4	-171.8	76.4	95	-12.1	113.3	D187 L342 F346 N357 K358 R359 A416	D187-R344 IonicContact OD2-CZ 3.14Å; D187-R344 IonicContact OD2-NH1 3.44Å; D187-R344 IonicContact OD2-NH2 2.86Å; D187-R344 PolarHBondContact OD2-NH2 2.95Å; L342-R344 PolarHBondContact O-N 2.85Å; R344-F346 PolarHBondContact O-N 2.86Å; R344-N357 WeakPolarHBondContact CA-O 3.42Å; R344-N357 WeakPolarHBondContact CB-O 3.48Å; R344-N357 PolarHBondContact O-ND2 3.37Å; R344-N357 VanDerWaalsContact O-ND2 3.17Å; R344-K358 PolarHBondContact NH2-O 2.79Å; R344-R359 PolarHBondContact NH1-O 3.39Å; R344-A416 VanDerWaalsContact CZ-CB 3.47Å
345	D	96.7	Very high	96.1	Very high	80 Å²	80	45 Å²	45	43%	0.428	22%	0.22	S	C	.	.			trans	-73.4	119.9	178.2	-168.8	-38.7	0	0	0	109.7	D343 S347 H348 Y349	D343-D345 PolarHBondContact OD1-N 3.35Å; D345-S347 PolarHBondContact O-N 3.28Å; D345-S347 VanDerWaalsContact O-N 3.16Å; D345-S347 VanDerWaalsContact OD1-CB 3.26Å; D345-S347 WeakPolarHBondContact OD1-CB 3.31Å; D345-S347 PolarHBondContact OD1-N 3.35Å; D345-S347 PolarHBondContact OD1-OG 2.88Å; D345-H348 WeakPolarHBondContact O-CB 3.4Å; D345-H348 PolarHBondContact O-N 3.27Å; D345-H348 VanDerWaalsContact O-N 3.1Å; D345-Y349 VanDerWaalsContact O-CD2 3.26Å; D345-Y349 WeakPolarHBondContact O-CD2 3.34Å
346	F	97.8	Very high	95.9	Very high	67 Å²	67	40.9 Å²	40.9	29%	0.294	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-55.5	-34	178.4	174.2	-100.7	0	0	0	112.6	R344 H348 Y349 Q350 I352 W355	R344-F346 PolarHBondContact O-N 2.86Å; F346-H348 PolarHBondContact O-N 3.11Å; F346-H348 VanDerWaalsContact O-N 3.15Å; F346-Y349 PolarHBondContact O-N 3.23Å; F346-Q350 PolarHBondContact O-N 3.12Å; F346-I352 HydrophobicContact CE2-CG2 4.06Å; F346-I352 HydrophobicContact CZ-CG2 3.84Å; F346-W355 HydrophobicContact CD2-CE3 4.3Å; F346-W355 AromaticContact CD2-CZ3 3.8Å; F346-W355 HydrophobicContact CD2-CZ3 3.8Å; F346-W355 HydrophobicContact CE2-CE3 4.41Å; F346-W355 HydrophobicContact CE2-CH2 4.37Å; F346-W355 AromaticContact CE2-CZ3 3.83Å; F346-W355 HydrophobicContact CE2-CZ3 3.83Å
347	S	97.6	Very high	95.8	Very high	57 Å²	57	41.5 Å²	41.5	40%	0.399	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-62.6	-23.1	-178.3	70.3	0	0	0	0	113.6	D345 Y349	D345-S347 PolarHBondContact O-N 3.28Å; D345-S347 VanDerWaalsContact O-N 3.16Å; D345-S347 VanDerWaalsContact OD1-CB 3.26Å; D345-S347 WeakPolarHBondContact OD1-CB 3.31Å; D345-S347 PolarHBondContact OD1-N 3.35Å; D345-S347 PolarHBondContact OD1-OG 2.88Å; S347-Y349 VanDerWaalsContact C-N 3.34Å
348	H	96.6	Very high	95.7	Very high	79 Å²	79	44.8 Å²	44.8	37%	0.366	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-82.7	-9.5	177.9	-60.6	172.4	0	0	0	113.9	P296 Q297 D343 D345 F346	P296-H348 WeakPolarHBondContact CB-O 3.44Å; Q297-H348 WeakPolarHBondContact CB-O 3.48Å; Q297-H348 WeakPolarHBondContact CG-O 3.11Å; Q297-H348 PolarHBondContact N-O 3Å; D343-H348 IonicContact OD1-CE1 3.49Å; D343-H348 IonicContact OD1-CG 3.73Å; D343-H348 IonicContact OD1-ND1 2.73Å; D343-H348 PolarHBondContact OD1-ND1 2.94Å; D343-H348 IonicContact OD2-CE1 3.57Å; D343-H348 IonicContact OD2-CG 2.64Å; D343-H348 IonicContact OD2-ND1 3.74Å; D343-H348 PolarHBondContact OD2-ND1 3.18Å; D345-H348 WeakPolarHBondContact O-CB 3.4Å; D345-H348 PolarHBondContact O-N 3.27Å; D345-H348 VanDerWaalsContact O-N 3.1Å; F346-H348 PolarHBondContact O-N 3.11Å; F346-H348 VanDerWaalsContact O-N 3.15Å
349	Y	96.3	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-39.2	-177.8	-59.9	-92.9	0	0	0	112.7	H295 P296 Q297 H299 D343 D345 F346 S347 D351 Y356 N357	H295-Y349 WeakPolarHBondContact CB-O 3.43Å; H295-Y349 PolarHBondContact ND1-O 3.5Å; P296-Y349 VanDerWaalsContact CD-O 3.26Å; P296-Y349 WeakPolarHBondContact CD-O 3.5Å; Q297-Y349 HydrophobicContact CB-CD1 3.91Å; Q297-Y349 HydrophobicContact CB-CE1 4.03Å; H299-Y349 AromaticContact CE1-CE1 3.51Å; H299-Y349 AromaticContact CE1-CZ 3.75Å; H299-Y349 PolarHBondContact CE1-OH 2.88Å; H299-Y349 AromaticContact ND1-CE1 3.96Å; H299-Y349 AromaticContact NE2-CE1 3.91Å; D343-Y349 WeakPolarHBondContact O-CE2 3.32Å; D343-Y349 PolarHBondContact O-OH 3.04Å; D345-Y349 VanDerWaalsContact O-CD2 3.26Å; D345-Y349 WeakPolarHBondContact O-CD2 3.34Å; F346-Y349 PolarHBondContact O-N 3.23Å; S347-Y349 VanDerWaalsContact C-N 3.34Å; Y349-D351 PolarHBondContact O-N 3.18Å; Y349-D351 VanDerWaalsContact O-N 3.14Å; Y349-Y356 VanDerWaalsContact CD1-CB 3.48Å; Y349-Y356 HydrophobicContact CD1-CG 4.45Å; Y349-N357 HydrophobicContact CD2-CB 3.41Å; Y349-N357 VanDerWaalsContact CD2-CB 3.41Å; Y349-N357 HydrophobicContact CE2-CB 3.66Å; Y349-N357 HydrophobicContact CG-CB 4.11Å
350	Q	96.5	Very high	95.6	Very high	96 Å²	96	46.3 Å²	46.3	45%	0.449	23%	0.225	S	C	.	.			trans	51.5	35.4	179.7	-63.1	-72.9	-21.6	0	0	113.1	H295 P296 F346	H295-Q350 PolarHBondContact CE1-O 3.48Å; H295-Q350 PolarHBondContact ND1-O 3.05Å; P296-Q350 HydrophobicContact CG-CG 4.4Å; F346-Q350 PolarHBondContact O-N 3.12Å
351	D	94.1	Very high	95.6	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.027	23%	0.225	C	C	.	.			trans	-115.6	112.2	-178.5	-177.2	3.7	0	0	0	111.2	H295 Y349 M353 G354 Y356	H295-D351 IonicContact CE1-OD1 2.6Å; Y349-D351 PolarHBondContact O-N 3.18Å; Y349-D351 VanDerWaalsContact O-N 3.14Å; D351-M353 WeakPolarHBondContact OD1-CA 3.41Å; D351-M353 PolarHBondContact OD1-N 3.01Å; D351-G354 VanDerWaalsContact CG-N 3.25Å; D351-G354 PolarHBondContact OD1-N 3.1Å; D351-G354 WeakPolarHBondContact OD2-CA 3.23Å; D351-G354 PolarHBondContact OD2-N 2.99Å; D351-Y356 HydrophobicContact CB-CD2 4.15Å; D351-Y356 WeakPolarHBondContact OD2-CD2 3.35Å; D351-Y356 WeakPolarHBondContact OD2-CE2 3.3Å
352	I	93.9	Very high	95.7	Very high	111 Å²	111	46.2 Å²	46.2	57%	0.569	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-2.7	179.9	65.2	174.2	0	0	0	113.4	F346 W355	F346-I352 HydrophobicContact CE2-CG2 4.06Å; F346-I352 HydrophobicContact CZ-CG2 3.84Å; I352-W355 HydrophobicContact CB-CZ2 4.24Å; I352-W355 HydrophobicContact CG2-CH2 4.46Å; I352-W355 PolarHBondContact O-NE1 2.85Å
353	M	90.5	Very high	96	Very high	137 Å²	137	44.4 Å²	44.4	68%	0.675	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	-56.5	178.9	-62.8	-56.2	-59.8	0	0	110.6	D351	D351-M353 WeakPolarHBondContact OD1-CA 3.41Å; D351-M353 PolarHBondContact OD1-N 3.01Å
354	G	89.8	Confident	96.1	Very high	10 Å²	10	42.8 Å²	42.8	10%	0.103	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-18.1	-177.2	0	0	0	0	0	114.4	Q191 D351 Y356 R359	Q191-G354 PolarHBondContact NE2-O 2.99Å; D351-G354 VanDerWaalsContact CG-N 3.25Å; D351-G354 PolarHBondContact OD1-N 3.1Å; D351-G354 WeakPolarHBondContact OD2-CA 3.23Å; D351-G354 PolarHBondContact OD2-N 2.99Å; G354-Y356 PolarHBondContact O-N 3.47Å; G354-Y356 VanDerWaalsContact O-N 3.14Å; G354-R359 PolarHBondContact O-NE 2.91Å; G354-R359 PolarHBondContact O-NH2 3.17Å
355	W	95.5	Very high	96.3	Very high	78 Å²	78	42 Å²	42	30%	0.295	21%	0.206	S	C	.	.			trans	43.7	45.7	178.6	-69.3	102.2	0	0	0	113.3	Q191 F346 I352 N357 K358	Q191-W355 HydrophobicContact CG-CB 4.2Å; F346-W355 HydrophobicContact CD2-CE3 4.3Å; F346-W355 AromaticContact CD2-CZ3 3.8Å; F346-W355 HydrophobicContact CD2-CZ3 3.8Å; F346-W355 HydrophobicContact CE2-CE3 4.41Å; F346-W355 HydrophobicContact CE2-CH2 4.37Å; F346-W355 AromaticContact CE2-CZ3 3.83Å; F346-W355 HydrophobicContact CE2-CZ3 3.83Å; I352-W355 HydrophobicContact CB-CZ2 4.24Å; I352-W355 HydrophobicContact CG2-CH2 4.46Å; I352-W355 PolarHBondContact O-NE1 2.85Å; W355-N357 PolarHBondContact O-N 2.91Å; W355-N357 VanDerWaalsContact O-N 3.12Å; W355-K358 HydrophobicContact CB-CB 4.32Å; W355-K358 HydrophobicContact CB-CD 4.2Å; W355-K358 HydrophobicContact CD2-CD 4.17Å; W355-K358 HydrophobicContact CE3-CD 3.87Å; W355-K358 HydrophobicContact CG-CD 4.34Å; W355-K358 VanDerWaalsContact CZ3-NZ 3.32Å; W355-K358 WeakPolarHBondContact O-CB 3.34Å; W355-K358 PolarHBondContact O-N 2.83Å
356	Y	95.4	Very high	96.4	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.02	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-51.6	-39.7	-176.8	-69.9	-68.2	0	0	0	112.7	M280 I298 H299 D300 Q341 Y349 D351 G354 K358 R359 E385	M280-Y356 HydrophobicContact CE-CD1 4.31Å; M280-Y356 HydrophobicContact CE-CE1 3.4Å; M280-Y356 VanDerWaalsContact CE-CE1 3.4Å; I298-Y356 HydrophobicContact CG2-CE1 4.43Å; I298-Y356 HydrophobicContact CG2-CE2 3.94Å; H299-Y356 WeakPolarHBondContact O-CD1 3.37Å; D300-Y356 WeakPolarHBondContact OD1-CE1 3.42Å; Q341-Y356 PolarHBondContact NE2-O 2.8Å; Y349-Y356 VanDerWaalsContact CD1-CB 3.48Å; Y349-Y356 HydrophobicContact CD1-CG 4.45Å; D351-Y356 HydrophobicContact CB-CD2 4.15Å; D351-Y356 WeakPolarHBondContact OD2-CD2 3.35Å; D351-Y356 WeakPolarHBondContact OD2-CE2 3.3Å; G354-Y356 PolarHBondContact O-N 3.47Å; G354-Y356 VanDerWaalsContact O-N 3.14Å; Y356-K358 PolarHBondContact O-N 2.89Å; Y356-R359 PolarHBondContact O-N 3.4Å; Y356-E385 VanDerWaalsContact OH-CB 3.23Å; Y356-E385 WeakPolarHBondContact OH-CB 3.5Å; Y356-E385 PolarHBondContact OH-OE2 2.74Å
357	N	96.5	Very high	96.4	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.07	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-60.7	-13.8	177.9	79.8	-65.3	0	0	0	114.8	R344 Y349 W355	R344-N357 WeakPolarHBondContact CA-O 3.42Å; R344-N357 WeakPolarHBondContact CB-O 3.48Å; R344-N357 PolarHBondContact O-ND2 3.37Å; R344-N357 VanDerWaalsContact O-ND2 3.17Å; Y349-N357 HydrophobicContact CD2-CB 3.41Å; Y349-N357 VanDerWaalsContact CD2-CB 3.41Å; Y349-N357 HydrophobicContact CE2-CB 3.66Å; Y349-N357 HydrophobicContact CG-CB 4.11Å; W355-N357 PolarHBondContact O-N 2.91Å; W355-N357 VanDerWaalsContact O-N 3.12Å
358	K	97.2	Very high	96.5	Very high	69 Å²	69	42.1 Å²	42.1	30%	0.3	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-104.2	-9.2	179	-68.2	179.1	-178.8	162.8	0	113.6	T189 Q191 R344 W355 Y356	T189-K358 HydrophobicContact CG2-CB 3.95Å; T189-K358 HydrophobicContact CG2-CG 4.19Å; T189-K358 PolarHBondContact OG1-O 2.8Å; Q191-K358 HydrophobicContact CB-CB 3.9Å; Q191-K358 HydrophobicContact CG-CB 4.23Å; R344-K358 PolarHBondContact NH2-O 2.79Å; W355-K358 HydrophobicContact CB-CB 4.32Å; W355-K358 HydrophobicContact CB-CD 4.2Å; W355-K358 HydrophobicContact CD2-CD 4.17Å; W355-K358 HydrophobicContact CE3-CD 3.87Å; W355-K358 HydrophobicContact CG-CD 4.34Å; W355-K358 VanDerWaalsContact CZ3-NZ 3.32Å; W355-K358 WeakPolarHBondContact O-CB 3.34Å; W355-K358 PolarHBondContact O-N 2.83Å; Y356-K358 PolarHBondContact O-N 2.89Å
359	R	96.9	Very high	96.5	Very high	32 Å²	32	47.2 Å²	47.2	12%	0.121	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-63.4	137	-177.9	-67.7	-178.7	-175.4	-143.1	3.2	110.4	Q191 Y192 D300 R344 G354 Y356	Q191-R359 HydrophobicContact CG-CG 3.74Å; Y192-R359 WeakPolarHBondContact O-CG 3.4Å; D300-R359 WeakPolarHBondContact OD1-CD 3.25Å; D300-R359 IonicContact OD1-CZ 2.93Å; D300-R359 IonicContact OD1-NE 3.42Å; D300-R359 PolarHBondContact OD1-NE 3.2Å; D300-R359 IonicContact OD1-NH1 3.8Å; D300-R359 PolarHBondContact OD1-NH1 2.63Å; D300-R359 IonicContact OD2-CZ 3.46Å; D300-R359 IonicContact OD2-NH1 3.37Å; D300-R359 PolarHBondContact OD2-NH1 3.25Å; R344-R359 PolarHBondContact NH1-O 3.39Å; G354-R359 PolarHBondContact O-NE 2.91Å; G354-R359 PolarHBondContact O-NH2 3.17Å; Y356-R359 PolarHBondContact O-N 3.4Å
360	P	97.8	Very high	96.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-71.5	153.4	-179.9	29.8	-36.5	0	0	0	110.3	D187 Q191 L194 W414	D187-P360 HydrophobicContact CB-CB 4.26Å; Q191-P360 WeakPolarHBondContact O-CD 3.14Å; L194-P360 WeakPolarHBondContact CD2-O 3.39Å; P360-W414 HydrophobicContact CB-CB 4.38Å
361	S	98.4	Very high	96.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	158.3	159.9	-60.5	0	0	0	0	110.2	L340 Q341 W414 S415	L340-S361 WeakPolarHBondContact CA-OG 3.44Å; Q341-S361 PolarHBondContact N-OG 3.32Å; S361-W414 WeakPolarHBondContact O-CA 3.47Å; S361-S415 WeakPolarHBondContact CA-O 3.46Å; S361-S415 VanDerWaalsContact CB-O 3.3Å; S361-S415 WeakPolarHBondContact CB-O 3.23Å; S361-S415 PolarHBondContact N-O 2.92Å; S361-S415 PolarHBondContact O-N 3.28Å; S361-S415 VanDerWaalsContact O-N 3.15Å
362	L	98.8	Very high	96.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119	169.3	-177	52.1	0	0	0	110.7	L194 A196 M277 G338 L339 L412 Y413 W414	L194-L362 HydrophobicContact CD1-CB 3.46Å; L194-L362 VanDerWaalsContact CD1-CB 3.46Å; L194-L362 HydrophobicContact CD1-CD2 4.45Å; L194-L362 HydrophobicContact CD2-CB 4.1Å; L194-L362 HydrophobicContact CG-CB 3.9Å; L194-L362 HydrophobicContact CG-CD2 4.42Å; A196-L362 HydrophobicContact CB-CD2 4.13Å; M277-L362 HydrophobicContact CB-CD2 4.49Å; M277-L362 HydrophobicContact CG-CD2 3.7Å; M277-L362 HydrophobicContact CG-CG 4.23Å; M277-L362 HydrophobicContact SD-CB 4.04Å; M277-L362 HydrophobicContact SD-CD2 3.95Å; M277-L362 HydrophobicContact SD-CG 3.8Å; G338-L362 CarbonylContact C-O 3.54Å; G338-L362 WeakPolarHBondContact CA-O 3.16Å; L339-L362 PolarHBondContact N-O 2.99Å; L339-L362 VanDerWaalsContact N-O 3.12Å; L339-L362 PolarHBondContact O-N 2.77Å; L362-L412 HydrophobicContact CD1-CB 4Å; L362-L412 HydrophobicContact CD1-CD2 4.34Å; L362-Y413 WeakPolarHBondContact CA-O 3.28Å; L362-W414 HydrophobicContact CD1-CD2 3.6Å; L362-W414 VanDerWaalsContact CD1-CE2 3.44Å; L362-W414 HydrophobicContact CD1-CE3 4.01Å; L362-W414 HydrophobicContact CD1-CG 4.05Å; L362-W414 HydrophobicContact CD1-CH2 4.19Å; L362-W414 HydrophobicContact CD1-CZ2 3.78Å; L362-W414 HydrophobicContact CD1-CZ3 4.27Å; L362-W414 HydrophobicContact CD2-CZ2 4.1Å
363	W	98.8	Very high	97.1	Very high	1 Å²	1	44 Å²	44	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.4	175.7	-175.1	-96.2	0	0	0	111.4	W307 W313 G336 L340 L412 Y413 P418 P419 V420	W307-W363 HydrophobicContact CB-CH2 4.14Å; W307-W363 HydrophobicContact CB-CZ2 4.15Å; W313-W363 AromaticContact CH2-CH2 3.9Å; W313-W363 HydrophobicContact CH2-CH2 3.9Å; W313-W363 HydrophobicContact CH2-CZ2 4.07Å; W313-W363 AromaticContact CZ3-CH2 3.51Å; W313-W363 HydrophobicContact CZ3-CH2 3.51Å; W313-W363 HydrophobicContact CZ3-CZ2 4.16Å; W313-W363 HydrophobicContact CZ3-CZ3 4.28Å; G336-W363 VanDerWaalsContact C-CZ2 3.43Å; L340-W363 HydrophobicContact CD2-CE3 4.16Å; W363-L412 CarbonylContact O-C 3.59Å; W363-L412 WeakPolarHBondContact O-CA 3.16Å; W363-Y413 HydrophobicContact CB-CD2 4.49Å; W363-Y413 PolarHBondContact N-O 2.95Å; W363-Y413 VanDerWaalsContact N-O 3.1Å; W363-Y413 PolarHBondContact O-N 2.84Å; W363-P418 HydrophobicContact CB-CB 4.28Å; W363-P418 HydrophobicContact CD2-CB 4.15Å; W363-P418 HydrophobicContact CE3-CB 4.07Å; W363-P418 HydrophobicContact CG-CB 4.27Å; W363-P419 HydrophobicContact CG-CG 4.29Å; W363-V420 HydrophobicContact CD2-CG2 4.48Å; W363-V420 HydrophobicContact CH2-CG2 4.47Å; W363-V420 HydrophobicContact CZ2-CG2 3.56Å
364	V	98.9	Very high	97.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.8	173.8	-172.5	0	0	0	0	109.1	A275 M277 G336 F337 W370 Y410 R411 L412	A275-V364 HydrophobicContact CB-CG1 3.68Å; A275-V364 HydrophobicContact CB-CG2 4.11Å; M277-V364 HydrophobicContact CE-CG2 3.93Å; M277-V364 HydrophobicContact SD-CG2 4Å; G336-V364 CarbonylContact C-O 3.48Å; G336-V364 WeakPolarHBondContact CA-O 3.27Å; F337-V364 HydrophobicContact CD1-CB 4.18Å; F337-V364 HydrophobicContact CD2-CG2 4.37Å; F337-V364 HydrophobicContact CE1-CB 3.81Å; F337-V364 HydrophobicContact CE1-CG1 3.75Å; F337-V364 HydrophobicContact CE1-CG2 4.39Å; F337-V364 HydrophobicContact CE2-CB 4.19Å; F337-V364 HydrophobicContact CE2-CG2 3.89Å; F337-V364 HydrophobicContact CG-CB 4.49Å; F337-V364 HydrophobicContact CZ-CB 3.82Å; F337-V364 HydrophobicContact CZ-CG1 3.81Å; F337-V364 HydrophobicContact CZ-CG2 3.9Å; F337-V364 PolarHBondContact N-O 3.12Å; F337-V364 WeakPolarHBondContact O-CA 3.4Å; F337-V364 WeakPolarHBondContact O-CB 3.39Å; F337-V364 PolarHBondContact O-N 3.24Å; V364-W370 HydrophobicContact CG1-CH2 3.94Å; V364-Y410 HydrophobicContact CG1-CD2 4.33Å; V364-R411 WeakPolarHBondContact CA-O 3.17Å; V364-L412 HydrophobicContact CB-CD2 4.17Å; V364-L412 HydrophobicContact CG1-CD2 4.17Å; V364-L412 HydrophobicContact CG2-CD2 3.65Å
365	E	98.8	Very high	97.9	Very high	42 Å²	42	38.3 Å²	38.3	20%	0.196	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	108.7	171.7	-176	-165	166.8	0	0	109.6	R367 Y410 R411 Y413	E365-R367 PolarHBondContact O-N 2.88Å; E365-R367 IonicContact OE1-CZ 3.95Å; E365-R367 IonicContact OE1-NH1 3.98Å; E365-R367 PolarHBondContact OE1-NH1 2.83Å; E365-R367 IonicContact OE2-NH1 3.75Å; E365-Y410 CarbonylContact O-C 3.55Å; E365-Y410 VanDerWaalsContact O-CA 3.26Å; E365-Y410 WeakPolarHBondContact O-CA 3.02Å; E365-Y410 WeakPolarHBondContact O-CB 3.09Å; E365-R411 HydrophobicContact CB-CB 4.36Å; E365-R411 PolarHBondContact N-O 2.75Å; E365-R411 PolarHBondContact O-N 3.2Å; E365-Y413 HydrophobicContact CB-CE2 3.88Å; E365-Y413 VanDerWaalsContact OE2-CE2 3.27Å; E365-Y413 WeakPolarHBondContact OE2-CE2 3.5Å; E365-Y413 VanDerWaalsContact OE2-CZ 3.31Å; E365-Y413 PolarHBondContact OE2-OH 3.16Å
366	P	98.7	Very high	98	Very high	22 Å²	22	34.6 Å²	34.6	14%	0.143	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	133.3	172.1	-28.5	39.6	0	0	0	112.1	P334 W370	P334-P366 HydrophobicContact CG-CG 4.27Å; P334-P366 WeakPolarHBondContact O-CG 3.35Å; P366-W370 HydrophobicContact CB-CD2 3.88Å; P366-W370 HydrophobicContact CB-CE3 4.34Å; P366-W370 HydrophobicContact CB-CG 4.22Å; P366-W370 HydrophobicContact CB-CZ2 4.25Å; P366-W370 HydrophobicContact CG-CD2 3.88Å; P366-W370 HydrophobicContact CG-CE3 3.81Å; P366-W370 HydrophobicContact CG-CH2 4.11Å; P366-W370 HydrophobicContact CG-CZ2 4.16Å; P366-W370 HydrophobicContact CG-CZ3 3.92Å
367	R	98.5	Very high	98.2	Very high	129 Å²	129	34.3 Å²	34.3	49%	0.487	16%	0.161	S	C	.	.	S	Bend	trans	-108.9	-5.6	-179.4	-58.9	-58.8	-63.9	178.8	-0.2	113.3	E365 Q409 R411	E365-R367 PolarHBondContact O-N 2.88Å; E365-R367 IonicContact OE1-CZ 3.95Å; E365-R367 IonicContact OE1-NH1 3.98Å; E365-R367 PolarHBondContact OE1-NH1 2.83Å; E365-R367 IonicContact OE2-NH1 3.75Å; R367-Q409 HydrophobicContact CB-CB 3.97Å; R367-Q409 PolarHBondContact N-O 2.89Å; R367-R411 HydrophobicContact CG-CB 4.18Å
368	N	98.3	Very high	98.2	Very high	54 Å²	54	34.1 Å²	34.1	29%	0.289	16%	0.16	S	C	.	.	S	Bend	trans	-133.4	173.6	166.9	68.9	-26.8	0	0	0	110.9	W370 A407 Q409	N368-W370 PolarHBondContact O-N 2.81Å; N368-W370 PolarHBondContact OD1-NE1 2.9Å; N368-A407 PolarHBondContact ND2-O 2.8Å; N368-Q409 HydrophobicContact CB-CB 4.29Å; N368-Q409 PolarHBondContact OD1-N 2.98Å; N368-Q409 PolarHBondContact OD1-O 2.82Å; N368-Q409 VanDerWaalsContact OD1-O 3.14Å
369	K	97.2	Very high	98.2	Very high	186 Å²	186	30.8 Å²	30.8	81%	0.809	15%	0.145	S	C	*	.			trans	-75.6	108.1	179.5	-70.6	-175	-179	179.8	0	110.7	N333 G371	N333-K369 VanDerWaalsContact OD1-C 3.29Å; N333-K369 VanDerWaalsContact OD1-CA 3.24Å; N333-K369 WeakPolarHBondContact OD1-CA 3.41Å; N333-K369 VanDerWaalsContact OD1-CB 3.31Å; N333-K369 WeakPolarHBondContact OD1-CB 3.22Å; K369-G371 VanDerWaalsContact C-N 3.29Å
370	W	98	Very high	98.2	Very high	14 Å²	14	31.1 Å²	31.1	5%	0.053	15%	0.149	C	C	.	.			trans	-79.2	-10.1	178.2	-71.7	8.7	0	0	0	114.3	I274 A275 N333 P334 F337 V364 P366 N368 W394 F408 Q409 Y410	I274-W370 HydrophobicContact CG2-CH2 4.01Å; I274-W370 HydrophobicContact CG2-CZ2 3.97Å; A275-W370 HydrophobicContact CB-CH2 4Å; N333-W370 PolarHBondContact OD1-N 2.87Å; P334-W370 HydrophobicContact CG-CE3 4.16Å; F337-W370 HydrophobicContact CE1-CH2 4.16Å; F337-W370 AromaticContact CE1-CZ3 3.59Å; F337-W370 HydrophobicContact CE1-CZ3 3.59Å; F337-W370 HydrophobicContact CZ-CH2 4.32Å; F337-W370 AromaticContact CZ-CZ3 3.94Å; F337-W370 HydrophobicContact CZ-CZ3 3.94Å; V364-W370 HydrophobicContact CG1-CH2 3.94Å; P366-W370 HydrophobicContact CB-CD2 3.88Å; P366-W370 HydrophobicContact CB-CE3 4.34Å; P366-W370 HydrophobicContact CB-CG 4.22Å; P366-W370 HydrophobicContact CB-CZ2 4.25Å; P366-W370 HydrophobicContact CG-CD2 3.88Å; P366-W370 HydrophobicContact CG-CE3 3.81Å; P366-W370 HydrophobicContact CG-CH2 4.11Å; P366-W370 HydrophobicContact CG-CZ2 4.16Å; P366-W370 HydrophobicContact CG-CZ3 3.92Å; N368-W370 PolarHBondContact O-N 2.81Å; N368-W370 PolarHBondContact OD1-NE1 2.9Å; W370-W394 HydrophobicContact CB-CZ2 4.27Å; W370-W394 HydrophobicContact CD2-CG 4.41Å; W370-W394 HydrophobicContact CE3-CB 3.79Å; W370-W394 AromaticContact CE3-CD1 3.36Å; W370-W394 AromaticContact CE3-CD2 3.74Å; W370-W394 HydrophobicContact CE3-CD2 3.74Å; W370-W394 AromaticContact CE3-CE2 3.97Å; W370-W394 AromaticContact CE3-CG 3.34Å; W370-W394 HydrophobicContact CE3-CG 3.34Å; W370-W394 AromaticContact CE3-NE1 3.74Å; W370-W394 HydrophobicContact CH2-CB 4.3Å; W370-W394 HydrophobicContact CZ3-CB 3.36Å; W370-W394 AromaticContact CZ3-CD1 3.8Å; W370-W394 HydrophobicContact CZ3-CD2 4.21Å; W370-W394 AromaticContact CZ3-CG 3.49Å; W370-W394 HydrophobicContact CZ3-CG 3.49Å; W370-W394 VanDerWaalsContact CZ3-CG 3.49Å; W370-F408 AromaticContact CD1-CD1 3.75Å; W370-F408 HydrophobicContact CD2-CD1 4.29Å; W370-F408 AromaticContact CE2-CD1 3.99Å; W370-F408 HydrophobicContact CG-CD1 4.1Å; W370-F408 HydrophobicContact CG-CE1 4.41Å; W370-F408 AromaticContact NE1-CD1 3.71Å; W370-Q409 PolarHBondContact NE1-O 3.29Å; W370-Y410 HydrophobicContact CH2-CG 4.49Å; W370-Y410 AromaticContact CZ2-CD1 3.8Å; W370-Y410 HydrophobicContact CZ2-CD1 3.8Å; W370-Y410 AromaticContact CZ2-CG 3.98Å; W370-Y410 HydrophobicContact CZ2-CG 3.98Å
371	G	97.9	Very high	98	Very high	25 Å²	25	33.6 Å²	33.6	26%	0.258	17%	0.165	S	C	.	.			trans	68	-154	-179	0	0	0	0	0	112.7	N332 N333 K369 W394	N332-G371 CarbonylContact C-O 3.56Å; N332-G371 WeakPolarHBondContact CA-O 3.43Å; N332-G371 PolarHBondContact OD1-O 3.47Å; N333-G371 PolarHBondContact N-O 3.19Å; N333-G371 PolarHBondContact OD1-N 2.9Å; K369-G371 VanDerWaalsContact C-N 3.29Å; G371-W394 WeakPolarHBondContact O-CZ2 3.48Å
372	K	98.3	Very high	97.8	Very high	103 Å²	103	33.8 Å²	33.8	45%	0.448	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	142	-179.1	-170.6	170.4	171.6	-148	0	111.1	N332 E397	N332-K372 PolarHBondContact OD1-N 2.86Å; K372-E397 HydrophobicContact CB-CB 4.36Å; K372-E397 WeakPolarHBondContact CD-OE1 3.44Å; K372-E397 WeakPolarHBondContact CD-OE2 3.39Å; K372-E397 WeakPolarHBondContact CE-OE1 3.42Å; K372-E397 HydrophobicContact CG-CB 4.34Å; K372-E397 IonicContact NZ-OE1 2.78Å; K372-E397 PolarHBondContact NZ-OE1 3.25Å; K372-E397 IonicContact NZ-OE2 2.92Å; K372-E397 WeakPolarHBondContact O-CB 3.34Å; K372-E397 PolarHBondContact O-N 2.88Å
373	G	98.5	Very high	97.2	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	-158.6	-179.9	0	0	0	0	0	111.6	T330 D331 W394 Q395	T330-G373 WeakPolarHBondContact CA-O 3.41Å; D331-G373 PolarHBondContact N-O 2.88Å; D331-G373 PolarHBondContact O-N 2.91Å; D331-G373 VanDerWaalsContact O-O 3.1Å; G373-W394 VanDerWaalsContact C-CH2 3.48Å; G373-W394 VanDerWaalsContact CA-CZ2 3.48Å; G373-Q395 CarbonylContact C-O 3.51Å; G373-Q395 WeakPolarHBondContact CA-O 3.38Å
374	T	98.6	Very high	96.2	Very high	25 Å²	25	40.6 Å²	40.6	15%	0.153	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.4	178.3	56.1	0	0	0	0	111	A328 Y329 G376 W394 Q395	A328-T374 HydrophobicContact CB-CG2 4.01Å; Y329-T374 CarbonylContact O-C 3.55Å; Y329-T374 VanDerWaalsContact O-CA 3.25Å; Y329-T374 WeakPolarHBondContact O-CA 3.45Å; T374-G376 PolarHBondContact O-N 2.74Å; T374-W394 CarbonylContact O-C 3.57Å; T374-W394 WeakPolarHBondContact O-CA 3.4Å; T374-Q395 PolarHBondContact N-O 3.04Å; T374-Q395 PolarHBondContact O-N 2.96Å
375	I	98.7	Very high	95.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	109.7	159.3	-60	163.9	0	0	0	105.8	L304 M306 Y329 P334 F337 W394	L304-I375 HydrophobicContact CD1-CG2 4.45Å; L304-I375 HydrophobicContact CD2-CG2 4.17Å; M306-I375 HydrophobicContact CB-CD1 4.16Å; M306-I375 HydrophobicContact CG-CD1 3.79Å; M306-I375 HydrophobicContact SD-CB 4.12Å; M306-I375 HydrophobicContact SD-CD1 3.76Å; M306-I375 HydrophobicContact SD-CG2 4.07Å; Y329-I375 WeakPolarHBondContact CD2-O 3.31Å; Y329-I375 PolarHBondContact N-O 3.31Å; Y329-I375 PolarHBondContact O-N 2.79Å; P334-I375 HydrophobicContact CB-CD1 4.38Å; F337-I375 HydrophobicContact CB-CD1 3.83Å; F337-I375 HydrophobicContact CD1-CD1 4.19Å; F337-I375 HydrophobicContact CD1-CG1 4.36Å; F337-I375 HydrophobicContact CD2-CG2 4.02Å; F337-I375 HydrophobicContact CG-CD1 4.02Å; F337-I375 HydrophobicContact CG-CG1 4.26Å; F337-I375 HydrophobicContact CG-CG2 4.33Å; I375-W394 HydrophobicContact CG1-CE3 3.78Å; I375-W394 HydrophobicContact CG1-CZ3 4.08Å
376	G	98.3	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.3	175.8	0	0	0	0	0	110.7	N327 T374 C392 F393	N327-G376 CarbonylContact O-C 3.59Å; N327-G376 WeakPolarHBondContact O-CA 3.31Å; T374-G376 PolarHBondContact O-N 2.74Å; G376-C392 VanDerWaalsContact O-CA 3.23Å; G376-C392 WeakPolarHBondContact O-CA 3.42Å; G376-C392 PolarHBondContact O-SG 2.73Å; G376-C392 VanDerWaalsContact O-SG 3.37Å; G376-F393 PolarHBondContact N-O 2.92Å; G376-F393 PolarHBondContact O-N 3.14Å; G376-F393 VanDerWaalsContact O-N 3.16Å
377	L	98.6	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.7	170	176.5	64.4	0	0	0	108.4	L304 R316 L318 F326 N327 Y329 E379 I390 V391 C392	L304-L377 HydrophobicContact CD2-CB 4.09Å; L304-L377 HydrophobicContact CD2-CD2 4.14Å; L304-L377 HydrophobicContact CD2-CG 4.48Å; R316-L377 HydrophobicContact CG-CD2 4.09Å; L318-L377 HydrophobicContact CD2-CD1 3.86Å; L318-L377 HydrophobicContact CD2-CD2 4.05Å; F326-L377 CarbonylContact C-O 3.55Å; F326-L377 VanDerWaalsContact CA-O 3.3Å; F326-L377 WeakPolarHBondContact CA-O 3.41Å; N327-L377 PolarHBondContact N-O 2.98Å; N327-L377 PolarHBondContact O-N 3.15Å; Y329-L377 HydrophobicContact CE2-CB 4.13Å; Y329-L377 HydrophobicContact CE2-CD2 4.49Å; L377-E379 HydrophobicContact CD1-CG 4.44Å; L377-E379 HydrophobicContact CD2-CG 4.31Å; L377-E379 HydrophobicContact CG-CG 4.07Å; L377-I390 HydrophobicContact CD1-CG2 3.93Å; L377-V391 CarbonylContact C-O 3.53Å; L377-V391 WeakPolarHBondContact CA-O 3.41Å; L377-C392 HydrophobicContact CD1-CB 4.45Å
378	M	97.8	Very high	92.5	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.8	173.3	-162.5	169.7	99	0	0	109.9	T203 Y204 L324 Q325 F326 I380 I390 V391	T203-M378 HydrophobicContact CG2-CE 3.81Å; T203-M378 HydrophobicContact CG2-SD 3.79Å; Y204-M378 HydrophobicContact CD2-CG 4.48Å; Y204-M378 HydrophobicContact CD2-SD 3.91Å; Y204-M378 HydrophobicContact CG-SD 4.31Å; L324-M378 HydrophobicContact CD1-CE 3.99Å; L324-M378 HydrophobicContact CD1-CG 3.68Å; L324-M378 HydrophobicContact CD1-SD 4.01Å; Q325-M378 WeakPolarHBondContact O-CA 3.38Å; Q325-M378 WeakPolarHBondContact O-CG 3.4Å; F326-M378 HydrophobicContact CD2-CB 3.95Å; F326-M378 HydrophobicContact CD2-CG 4.25Å; M378-I380 HydrophobicContact CE-CD1 3.45Å; M378-I380 VanDerWaalsContact CE-CD1 3.45Å; M378-I380 HydrophobicContact CE-CG1 3.44Å; M378-I380 VanDerWaalsContact CE-CG1 3.44Å; M378-I380 HydrophobicContact CG-CG1 4.46Å; M378-I390 WeakPolarHBondContact O-CA 3.37Å; M378-V391 HydrophobicContact CB-CB 4.03Å; M378-V391 HydrophobicContact CB-CG2 4.43Å; M378-V391 HydrophobicContact CE-CG2 4.31Å; M378-V391 PolarHBondContact N-O 2.98Å; M378-V391 PolarHBondContact O-N 2.74Å
379	E	97.4	Very high	92.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	106.2	178.2	-54.9	-176.7	118.7	0	0	108.1	R316 L318 N319 P321 Q325 L377 I390	R316-E379 IonicContact NH2-OE1 2.95Å; R316-E379 IonicContact NH2-OE2 3.94Å; R316-E379 PolarHBondContact NH2-OE2 3.42Å; L318-E379 WeakPolarHBondContact CA-OE1 3Å; N319-E379 PolarHBondContact N-OE1 3.04Å; P321-E379 HydrophobicContact CG-CB 3.79Å; P321-E379 WeakPolarHBondContact CG-O 3.01Å; Q325-E379 HydrophobicContact CB-CB 4.41Å; Q325-E379 PolarHBondContact N-O 3Å; Q325-E379 PolarHBondContact O-N 3.38Å; L377-E379 HydrophobicContact CD1-CG 4.44Å; L377-E379 HydrophobicContact CD2-CG 4.31Å; L377-E379 HydrophobicContact CG-CG 4.07Å; E379-I390 HydrophobicContact CB-CD1 4.28Å; E379-I390 HydrophobicContact CG-CD1 4Å
380	I	95.7	Very high	92.4	Very high	38 Å²	38	31.5 Å²	31.5	20%	0.195	18%	0.183	C	C	.	.			trans	-89.3	140.8	179.8	-54.9	157.4	0	0	0	108.4	L324 M378 T382 N389	L324-I380 HydrophobicContact CD1-CB 4.23Å; L324-I380 HydrophobicContact CD1-CG1 3.65Å; M378-I380 HydrophobicContact CE-CD1 3.45Å; M378-I380 VanDerWaalsContact CE-CD1 3.45Å; M378-I380 HydrophobicContact CE-CG1 3.44Å; M378-I380 VanDerWaalsContact CE-CG1 3.44Å; M378-I380 HydrophobicContact CG-CG1 4.46Å; I380-T382 PolarHBondContact O-N 2.93Å; I380-N389 HydrophobicContact CB-CB 4.11Å; I380-N389 PolarHBondContact N-O 2.81Å; I380-N389 VanDerWaalsContact O-CB 3.3Å; I380-N389 WeakPolarHBondContact O-CB 2.79Å; I380-N389 PolarHBondContact O-ND2 2.9Å; I380-N389 VanDerWaalsContact O-ND2 3.08Å
381	P	94.9	Very high	92.5	Very high	52 Å²	52	30.9 Å²	30.9	34%	0.338	18%	0.18	S	C	.	.			trans	-59.8	127.9	169.9	-23.3	33.6	0	0	0	111.1	P321	P321-P381 VanDerWaalsContact O-CA 3.31Å; P321-P381 WeakPolarHBondContact O-CA 3.48Å; P321-P381 VanDerWaalsContact O-CB 3.24Å; P321-P381 WeakPolarHBondContact O-CB 3.48Å; P321-P381 WeakPolarHBondContact O-CG 3.48Å
382	T	92.4	Very high	92.5	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.037	17%	0.168	C	C	.	.			trans	-127.3	149.5	173	-170.6	0	0	0	0	112.1	N320 I380 G384 N389	N320-T382 VanDerWaalsContact ND2-CG2 3.35Å; N320-T382 WeakPolarHBondContact ND2-CG2 3.41Å; N320-T382 PolarHBondContact ND2-O 2.98Å; N320-T382 PolarHBondContact OD1-N 2.98Å; N320-T382 PolarHBondContact OD1-O 3.3Å; I380-T382 PolarHBondContact O-N 2.93Å; T382-G384 PolarHBondContact OG1-N 3.04Å; T382-G384 PolarHBondContact OG1-O 3.25Å; T382-N389 HydrophobicContact CG2-CB 3.91Å; T382-N389 WeakPolarHBondContact CG2-ND2 3.28Å
383	T	86.3	Confident	92.5	Very high	123 Å²	123	24.8 Å²	24.8	76%	0.755	15%	0.146	S	C	*	.	S	Bend	trans	-105	-0.4	175.1	59.7	0	0	0	0	113.2
384	G	79	Confident	92.5	Very high	21 Å²	21	24.6 Å²	24.6	22%	0.216	14%	0.144	C	C	.	.	S	Bend	trans	178	178.8	-179.8	0	0	0	0	0	114.2	T382 T386	T382-G384 PolarHBondContact OG1-N 3.04Å; T382-G384 PolarHBondContact OG1-O 3.25Å; G384-T386 VanDerWaalsContact C-N 3.29Å; G384-T386 PolarHBondContact O-N 3.35Å
385	E	76.1	Confident	92.5	Very high	91 Å²	91	25.3 Å²	25.3	43%	0.425	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.6	-171	63.6	-177.9	-149.1	0	0	115.3	M280 I298 Y356 L387	M280-E385 HydrophobicContact CE-CB 4.13Å; I298-E385 HydrophobicContact CG2-CB 4.01Å; Y356-E385 VanDerWaalsContact OH-CB 3.23Å; Y356-E385 WeakPolarHBondContact OH-CB 3.5Å; Y356-E385 PolarHBondContact OH-OE2 2.74Å; E385-L387 PolarHBondContact O-N 3.17Å; E385-L387 VanDerWaalsContact O-N 3.11Å
386	T	74.6	Confident	92.5	Very high	85 Å²	85	26.1 Å²	26.1	52%	0.521	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	24.2	-173.6	60.3	0	0	0	0	113.2	M11 G384	M11-T386 VanDerWaalsContact CE-CA 3.45Å; M11-T386 WeakPolarHBondContact CE-O 3.46Å; G384-T386 VanDerWaalsContact C-N 3.29Å; G384-T386 PolarHBondContact O-N 3.35Å
387	L	77.8	Confident	92.4	Very high	42 Å²	42	31.8 Å²	31.8	22%	0.22	18%	0.178	C	C	.	.	S	Bend	trans	-143.3	104.7	177.9	-64.1	172.5	0	0	0	109.7	E385 N389	E385-L387 PolarHBondContact O-N 3.17Å; E385-L387 VanDerWaalsContact O-N 3.11Å; L387-N389 PolarHBondContact O-N 3.31Å
388	D	89	Confident	92	Very high	22 Å²	22	37.5 Å²	37.5	12%	0.118	20%	0.203	C	C	.	.			trans	-61.2	108.5	169.6	-66	-20.4	0	0	0	110	I7 T278 S279	I7-D388 HydrophobicContact CD1-CB 4.26Å; T278-D388 HydrophobicContact CG2-CB 3.45Å; T278-D388 VanDerWaalsContact CG2-CB 3.45Å; S279-D388 CarbonylContact O-C 3.58Å; S279-D388 WeakPolarHBondContact O-CA 3.45Å; S279-D388 WeakPolarHBondContact O-CB 3.36Å
389	N	95.8	Very high	91.6	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.011	23%	0.226	C	C	.	.			trans	-108.8	-4.4	-171.2	76	-53.6	0	0	0	113.1	S279 M280 F281 I380 T382 L387	S279-N389 PolarHBondContact O-N 2.87Å; S279-N389 VanDerWaalsContact O-N 3.15Å; M280-N389 WeakPolarHBondContact CA-OD1 3.4Å; F281-N389 PolarHBondContact N-OD1 3.15Å; F281-N389 PolarHBondContact O-ND2 3.3Å; F281-N389 PolarHBondContact O-OD1 3.23Å; I380-N389 HydrophobicContact CB-CB 4.11Å; I380-N389 PolarHBondContact N-O 2.81Å; I380-N389 VanDerWaalsContact O-CB 3.3Å; I380-N389 WeakPolarHBondContact O-CB 2.79Å; I380-N389 PolarHBondContact O-ND2 2.9Å; I380-N389 VanDerWaalsContact O-ND2 3.08Å; T382-N389 HydrophobicContact CG2-CB 3.91Å; T382-N389 WeakPolarHBondContact CG2-ND2 3.28Å; L387-N389 PolarHBondContact O-N 3.31Å
390	I	97.8	Very high	91.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.5	179.1	-54.7	-61.3	0	0	0	109.2	T278 S279 F281 L318 L339 L377 M378 E379	T278-I390 WeakPolarHBondContact CA-O 3.44Å; S279-I390 PolarHBondContact N-O 3.46Å; S279-I390 WeakPolarHBondContact O-CB 3.3Å; S279-I390 PolarHBondContact O-N 2.89Å; F281-I390 HydrophobicContact CB-CD1 4.07Å; F281-I390 HydrophobicContact CB-CG1 3.83Å; L318-I390 HydrophobicContact CB-CD1 4.43Å; L318-I390 HydrophobicContact CD1-CD1 4.46Å; L318-I390 HydrophobicContact CD1-CG1 4.15Å; L318-I390 HydrophobicContact CD1-CG2 4.09Å; L318-I390 HydrophobicContact CD2-CD1 4.45Å; L318-I390 HydrophobicContact CD2-CG2 4.1Å; L339-I390 HydrophobicContact CD1-CG2 3.91Å; L339-I390 HydrophobicContact CD2-CG2 4.1Å; L377-I390 HydrophobicContact CD1-CG2 3.93Å; M378-I390 WeakPolarHBondContact O-CA 3.37Å; E379-I390 HydrophobicContact CB-CD1 4.28Å; E379-I390 HydrophobicContact CG-CD1 4Å
391	V	98.1	Very high	91.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.3	173	-165.9	0	0	0	0	109.1	T203 M277 L377 M378 F393	T203-V391 HydrophobicContact CG2-CG1 4.33Å; T203-V391 HydrophobicContact CG2-CG2 4.49Å; M277-V391 WeakPolarHBondContact O-CA 3.02Å; L377-V391 CarbonylContact C-O 3.53Å; L377-V391 WeakPolarHBondContact CA-O 3.41Å; M378-V391 HydrophobicContact CB-CB 4.03Å; M378-V391 HydrophobicContact CB-CG2 4.43Å; M378-V391 HydrophobicContact CE-CG2 4.31Å; M378-V391 PolarHBondContact N-O 2.98Å; M378-V391 PolarHBondContact O-N 2.74Å; V391-F393 HydrophobicContact CG1-CD1 3.88Å; V391-F393 HydrophobicContact CG1-CE1 4.03Å
392	C	98.7	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.7	173.8	-178.6	0	0	0	0	110.4	P276 M277 L339 G376 L377	P276-C392 CarbonylContact C-O 3.5Å; P276-C392 VanDerWaalsContact CA-O 3.28Å; P276-C392 WeakPolarHBondContact CA-O 3.3Å; M277-C392 HydrophobicContact CE-CB 4.05Å; M277-C392 PolarHBondContact N-O 3.12Å; M277-C392 PolarHBondContact O-N 2.87Å; L339-C392 HydrophobicContact CD1-CB 4.07Å; L339-C392 HydrophobicContact CD2-CB 4.04Å; L339-C392 HydrophobicContact CG-CB 4.08Å; G376-C392 VanDerWaalsContact O-CA 3.23Å; G376-C392 WeakPolarHBondContact O-CA 3.42Å; G376-C392 PolarHBondContact O-SG 2.73Å; G376-C392 VanDerWaalsContact O-SG 3.37Å; L377-C392 HydrophobicContact CD1-CB 4.45Å
393	F	98.8	Very high	92.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	161.5	176.2	49.2	-96.1	0	0	0	110.8	A200 T203 Q271 P276 F326 G376 V391 Q395	A200-F393 HydrophobicContact CB-CD1 3.92Å; A200-F393 HydrophobicContact CB-CE1 4.28Å; A200-F393 HydrophobicContact CB-CG 4.28Å; T203-F393 HydrophobicContact CG2-CE1 4.45Å; Q271-F393 HydrophobicContact CG-CE2 3.98Å; Q271-F393 HydrophobicContact CG-CZ 4.12Å; P276-F393 HydrophobicContact CB-CB 3.98Å; F326-F393 HydrophobicContact CE2-CE1 4.48Å; F326-F393 AromaticContact CE2-CZ 3.82Å; F326-F393 HydrophobicContact CE2-CZ 3.82Å; F326-F393 HydrophobicContact CZ-CE2 4.47Å; F326-F393 HydrophobicContact CZ-CZ 4.19Å; G376-F393 PolarHBondContact N-O 2.92Å; G376-F393 PolarHBondContact O-N 3.14Å; G376-F393 VanDerWaalsContact O-N 3.16Å; V391-F393 HydrophobicContact CG1-CD1 3.88Å; V391-F393 HydrophobicContact CG1-CE1 4.03Å; F393-Q395 HydrophobicContact CD2-CB 4.24Å; F393-Q395 HydrophobicContact CE2-CB 4.16Å
394	W	98.8	Very high	92.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.4	165.4	173.1	-103.1	0	0	0	111	G273 I274 D331 P334 F337 W370 G371 G373 T374 I375	G273-W394 CarbonylContact C-O 3.56Å; G273-W394 WeakPolarHBondContact CA-O 3.39Å; I274-W394 HydrophobicContact CB-CB 4.34Å; I274-W394 PolarHBondContact N-O 2.81Å; I274-W394 PolarHBondContact O-N 3.18Å; D331-W394 HydrophobicContact CB-CH2 4.15Å; D331-W394 HydrophobicContact CB-CZ3 3.91Å; P334-W394 HydrophobicContact CG-CD2 4.34Å; P334-W394 HydrophobicContact CG-CE3 3.83Å; P334-W394 HydrophobicContact CG-CH2 4.07Å; P334-W394 HydrophobicContact CG-CZ3 3.69Å; F337-W394 HydrophobicContact CE1-CB 4.38Å; F337-W394 HydrophobicContact CZ-CB 4.02Å; W370-W394 HydrophobicContact CB-CZ2 4.27Å; W370-W394 HydrophobicContact CD2-CG 4.41Å; W370-W394 HydrophobicContact CE3-CB 3.79Å; W370-W394 AromaticContact CE3-CD1 3.36Å; W370-W394 AromaticContact CE3-CD2 3.74Å; W370-W394 HydrophobicContact CE3-CD2 3.74Å; W370-W394 AromaticContact CE3-CE2 3.97Å; W370-W394 AromaticContact CE3-CG 3.34Å; W370-W394 HydrophobicContact CE3-CG 3.34Å; W370-W394 AromaticContact CE3-NE1 3.74Å; W370-W394 HydrophobicContact CH2-CB 4.3Å; W370-W394 HydrophobicContact CZ3-CB 3.36Å; W370-W394 AromaticContact CZ3-CD1 3.8Å; W370-W394 HydrophobicContact CZ3-CD2 4.21Å; W370-W394 AromaticContact CZ3-CG 3.49Å; W370-W394 HydrophobicContact CZ3-CG 3.49Å; W370-W394 VanDerWaalsContact CZ3-CG 3.49Å; G371-W394 WeakPolarHBondContact O-CZ2 3.48Å; G373-W394 VanDerWaalsContact C-CH2 3.48Å; G373-W394 VanDerWaalsContact CA-CZ2 3.48Å; T374-W394 CarbonylContact O-C 3.57Å; T374-W394 WeakPolarHBondContact O-CA 3.4Å; I375-W394 HydrophobicContact CG1-CE3 3.78Å; I375-W394 HydrophobicContact CG1-CZ3 4.08Å
395	Q	98.3	Very high	93.6	Very high	41 Å²	41	46.6 Å²	46.6	19%	0.192	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.6	174.3	178.2	175.8	-13.5	0	0	109.3	G373 T374 F393	G373-Q395 CarbonylContact C-O 3.51Å; G373-Q395 WeakPolarHBondContact CA-O 3.38Å; T374-Q395 PolarHBondContact N-O 3.04Å; T374-Q395 PolarHBondContact O-N 2.96Å; F393-Q395 HydrophobicContact CD2-CB 4.24Å; F393-Q395 HydrophobicContact CE2-CB 4.16Å
396	P	97.9	Very high	94.6	Very high	18 Å²	18	43.6 Å²	43.6	12%	0.117	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	146.8	171.3	-22.7	33.6	0	0	0	111.9	L272 I274 K398 F408	L272-P396 WeakPolarHBondContact O-CD 3.44Å; I274-P396 HydrophobicContact CG1-CG 4.2Å; P396-K398 VanDerWaalsContact C-N 3.34Å; P396-K398 PolarHBondContact O-N 2.75Å; P396-F408 HydrophobicContact CG-CE1 4.21Å; P396-F408 HydrophobicContact CG-CZ 3.7Å
397	E	96.7	Very high	95.7	Very high	119 Å²	119	41.7 Å²	41.7	56%	0.556	24%	0.24	S	C	*	.	S	Bend	trans	-66.9	-35.3	178.6	179.1	178.8	-118.5	0	0	112.5	K372 A399	K372-E397 HydrophobicContact CB-CB 4.36Å; K372-E397 WeakPolarHBondContact CD-OE1 3.44Å; K372-E397 WeakPolarHBondContact CD-OE2 3.39Å; K372-E397 WeakPolarHBondContact CE-OE1 3.42Å; K372-E397 HydrophobicContact CG-CB 4.34Å; K372-E397 IonicContact NZ-OE1 2.78Å; K372-E397 PolarHBondContact NZ-OE1 3.25Å; K372-E397 IonicContact NZ-OE2 2.92Å; K372-E397 WeakPolarHBondContact O-CB 3.34Å; K372-E397 PolarHBondContact O-N 2.88Å; E397-A399 PolarHBondContact O-N 2.95Å
398	K	90.2	Very high	96.7	Very high	120 Å²	120	40.3 Å²	40.3	52%	0.522	23%	0.233	S	C	.	.	S	Bend	trans	-65.6	122.9	-178.2	-172.7	-168.2	166	-164.4	0	109.5	P396 D404	P396-K398 VanDerWaalsContact C-N 3.34Å; P396-K398 PolarHBondContact O-N 2.75Å; K398-D404 IonicContact NZ-OD1 3.78Å; K398-D404 PolarHBondContact NZ-OD1 3.01Å; K398-D404 IonicContact NZ-OD2 3.93Å; K398-D404 PolarHBondContact NZ-OD2 2.75Å
399	A	90.1	Very high	97.2	Very high	64 Å²	64	42.8 Å²	42.8	53%	0.529	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-59.8	137.2	168.9	0	0	0	0	0	110.5	E397	E397-A399 PolarHBondContact O-N 2.95Å
400	V	97.6	Very high	97.3	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.042	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-85.8	123.7	-177.7	-178.2	0	0	0	0	109.5	A265 D268 I269 L272 F406	A265-V400 HydrophobicContact CB-CG1 3.71Å; D268-V400 WeakPolarHBondContact CA-O 3.48Å; I269-V400 HydrophobicContact CB-CB 3.89Å; I269-V400 HydrophobicContact CB-CG1 4.05Å; I269-V400 HydrophobicContact CB-CG2 4.35Å; I269-V400 HydrophobicContact CD1-CG1 4.16Å; I269-V400 HydrophobicContact CG1-CG1 4.27Å; I269-V400 PolarHBondContact N-O 3Å; I269-V400 VanDerWaalsContact N-O 3.11Å; L272-V400 HydrophobicContact CB-CG2 3.75Å; L272-V400 HydrophobicContact CD2-CG2 3.85Å; L272-V400 HydrophobicContact CG-CG2 4.45Å; V400-F406 HydrophobicContact CB-CZ 4.24Å; V400-F406 HydrophobicContact CG1-CE2 3.76Å; V400-F406 HydrophobicContact CG1-CZ 3.97Å; V400-F406 HydrophobicContact CG2-CE2 4.28Å; V400-F406 HydrophobicContact CG2-CZ 3.89Å
401	K	98.1	Very high	97.4	Very high	107 Å²	107	45.7 Å²	45.7	47%	0.465	25%	0.254	S	S	.	.			trans	-107.7	150.8	173.4	-63.6	-53.5	-170.1	-174.8	0	111.7	A265 D268 G403 D404	A265-K401 VanDerWaalsContact CB-O 3.27Å; A265-K401 WeakPolarHBondContact CB-O 3.44Å; D268-K401 WeakPolarHBondContact OD1-CA 3.48Å; D268-K401 VanDerWaalsContact OD2-CD 3.23Å; D268-K401 WeakPolarHBondContact OD2-CD 3.4Å; D268-K401 IonicContact OD2-NZ 2.65Å; D268-K401 PolarHBondContact OD2-NZ 2.98Å; K401-G403 PolarHBondContact O-N 2.69Å; K401-D404 PolarHBondContact N-OD2 3.02Å; K401-D404 WeakPolarHBondContact O-CB 3.41Å; K401-D404 PolarHBondContact O-N 3.39Å
402	A	97.9	Very high	97.4	Very high	57 Å²	57	45.8 Å²	45.8	47%	0.471	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	133.3	171.2	0	0	0	0	0	110.7	D268 D404	D268-A402 PolarHBondContact OD1-N 3.19Å; A402-D404 VanDerWaalsContact C-N 3.31Å
403	G	97.6	Very high	97.4	Very high	61 Å²	61	46.8 Å²	46.8	63%	0.629	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-6.3	-174.4	0	0	0	0	0	115.1	A265 K401	A265-G403 PolarHBondContact O-N 3.34Å; K401-G403 PolarHBondContact O-N 2.69Å
404	D	98	Very high	97.4	Very high	30 Å²	30	46.8 Å²	46.8	16%	0.16	26%	0.259	C	S	.	.			trans	-66.1	144.7	170.8	-81.8	-31.9	0	0	0	111	A265 K398 K401 A402 F406	A265-D404 HydrophobicContact CB-CB 4.35Å; A265-D404 WeakPolarHBondContact CB-O 3.46Å; A265-D404 PolarHBondContact N-O 2.85Å; K398-D404 IonicContact NZ-OD1 3.78Å; K398-D404 PolarHBondContact NZ-OD1 3.01Å; K398-D404 IonicContact NZ-OD2 3.93Å; K398-D404 PolarHBondContact NZ-OD2 2.75Å; K401-D404 PolarHBondContact N-OD2 3.02Å; K401-D404 WeakPolarHBondContact O-CB 3.41Å; K401-D404 PolarHBondContact O-N 3.39Å; A402-D404 VanDerWaalsContact C-N 3.31Å; D404-F406 HydrophobicContact CB-CD2 4.47Å; D404-F406 HydrophobicContact CB-CE2 3.47Å; D404-F406 VanDerWaalsContact CB-CE2 3.47Å; D404-F406 HydrophobicContact CB-CZ 3.56Å
405	E	97.8	Very high	97.4	Very high	112 Å²	112	47 Å²	47	52%	0.523	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.7	175.1	-52.4	-168.8	162.9	0	0	110.5	H55 L263 Y264	H55-E405 IonicContact CE1-OE1 2.62Å; H55-E405 PolarHBondContact CE1-OE1 2.84Å; H55-E405 IonicContact ND1-OE1 2.96Å; H55-E405 PolarHBondContact ND1-OE1 2.91Å; L263-E405 WeakPolarHBondContact O-CA 3.28Å; Y264-E405 HydrophobicContact CD1-CB 4.39Å; Y264-E405 HydrophobicContact CD1-CG 3.81Å; Y264-E405 HydrophobicContact CE1-CG 4.22Å
406	F	97.4	Very high	97.2	Very high	28 Å²	28	46.3 Å²	46.3	12%	0.123	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.4	179	-49.9	-94.5	0	0	0	110.5	H262 L263 L272 V400 D404 F408	H262-F406 CarbonylContact C-O 3.55Å; H262-F406 WeakPolarHBondContact CA-O 3.42Å; L263-F406 HydrophobicContact CB-CB 4.32Å; L263-F406 HydrophobicContact CD1-CB 4.49Å; L263-F406 PolarHBondContact N-O 3.48Å; L263-F406 PolarHBondContact O-N 2.83Å; L272-F406 HydrophobicContact CD2-CD2 4.44Å; V400-F406 HydrophobicContact CB-CZ 4.24Å; V400-F406 HydrophobicContact CG1-CE2 3.76Å; V400-F406 HydrophobicContact CG1-CZ 3.97Å; V400-F406 HydrophobicContact CG2-CE2 4.28Å; V400-F406 HydrophobicContact CG2-CZ 3.89Å; D404-F406 HydrophobicContact CB-CD2 4.47Å; D404-F406 HydrophobicContact CB-CE2 3.47Å; D404-F406 VanDerWaalsContact CB-CE2 3.47Å; D404-F406 HydrophobicContact CB-CZ 3.56Å; F406-F408 HydrophobicContact CB-CD2 4.22Å; F406-F408 HydrophobicContact CB-CE2 3.54Å; F406-F408 HydrophobicContact CB-CZ 4.27Å; F406-F408 HydrophobicContact CD1-CE2 4.47Å; F406-F408 HydrophobicContact CD1-CZ 4.49Å; F406-F408 HydrophobicContact CG-CE2 4.27Å
407	A	97.9	Very high	97.1	Very high	45 Å²	45	49.6 Å²	49.6	37%	0.372	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	119.8	173.8	0	0	0	0	0	110.3	N261 N368	N261-A407 VanDerWaalsContact O-CA 3.29Å; N261-A407 WeakPolarHBondContact O-CA 3.48Å; N368-A407 PolarHBondContact ND2-O 2.8Å
408	F	98.6	Very high	97	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.057	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.7	177.9	-60.8	-84.8	0	0	0	110	N261 L263 I274 W370 P396 F406 Y410	N261-F408 PolarHBondContact N-O 2.87Å; N261-F408 PolarHBondContact O-N 3.37Å; N261-F408 WeakPolarHBondContact OD1-CB 3.36Å; N261-F408 PolarHBondContact OD1-N 2.9Å; N261-F408 VanDerWaalsContact OD1-N 3.09Å; N261-F408 PolarHBondContact OD1-O 3.27Å; L263-F408 HydrophobicContact CD1-CD2 4.04Å; L263-F408 HydrophobicContact CD1-CE2 4.19Å; I274-F408 HydrophobicContact CD1-CD2 3.62Å; I274-F408 HydrophobicContact CD1-CE2 3.41Å; I274-F408 VanDerWaalsContact CD1-CE2 3.41Å; I274-F408 HydrophobicContact CD1-CG 4.37Å; I274-F408 HydrophobicContact CD1-CZ 4.03Å; I274-F408 HydrophobicContact CG1-CD1 4.32Å; I274-F408 HydrophobicContact CG1-CD2 3.93Å; I274-F408 HydrophobicContact CG1-CE1 4.09Å; I274-F408 HydrophobicContact CG1-CE2 3.66Å; I274-F408 HydrophobicContact CG1-CG 4.25Å; I274-F408 HydrophobicContact CG1-CZ 3.76Å; I274-F408 HydrophobicContact CG2-CB 3.9Å; I274-F408 HydrophobicContact CG2-CD1 3.97Å; I274-F408 HydrophobicContact CG2-CD2 4.04Å; I274-F408 HydrophobicContact CG2-CG 3.69Å; W370-F408 AromaticContact CD1-CD1 3.75Å; W370-F408 HydrophobicContact CD2-CD1 4.29Å; W370-F408 AromaticContact CE2-CD1 3.99Å; W370-F408 HydrophobicContact CG-CD1 4.1Å; W370-F408 HydrophobicContact CG-CE1 4.41Å; W370-F408 AromaticContact NE1-CD1 3.71Å; P396-F408 HydrophobicContact CG-CE1 4.21Å; P396-F408 HydrophobicContact CG-CZ 3.7Å; F406-F408 HydrophobicContact CB-CD2 4.22Å; F406-F408 HydrophobicContact CB-CE2 3.54Å; F406-F408 HydrophobicContact CB-CZ 4.27Å; F406-F408 HydrophobicContact CD1-CE2 4.47Å; F406-F408 HydrophobicContact CD1-CZ 4.49Å; F406-F408 HydrophobicContact CG-CE2 4.27Å; F408-Y410 HydrophobicContact CB-CD1 4.33Å; F408-Y410 HydrophobicContact CB-CE1 4.49Å
409	Q	98.8	Very high	97.3	Very high	75 Å²	75	42 Å²	42	35%	0.35	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.2	171.3	-65	176.6	-3.2	0	0	107.7	V259 E260 R367 N368 W370	V259-Q409 WeakPolarHBondContact O-CA 3.11Å; E260-Q409 HydrophobicContact CB-CG 4.29Å; E260-Q409 HydrophobicContact CG-CG 4.05Å; R367-Q409 HydrophobicContact CB-CB 3.97Å; R367-Q409 PolarHBondContact N-O 2.89Å; N368-Q409 HydrophobicContact CB-CB 4.29Å; N368-Q409 PolarHBondContact OD1-N 2.98Å; N368-Q409 PolarHBondContact OD1-O 2.82Å; N368-Q409 VanDerWaalsContact OD1-O 3.14Å; W370-Q409 PolarHBondContact NE1-O 3.29Å
410	Y	98.9	Very high	97.6	Very high	1 Å²	1	41 Å²	41	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160	178.1	54.3	-84.1	0	0	0	111	V259 I274 A275 V364 E365 W370 F408 L412	V259-Y410 HydrophobicContact CB-CD1 4.46Å; V259-Y410 HydrophobicContact CB-CD2 4Å; V259-Y410 HydrophobicContact CB-CE1 4.11Å; V259-Y410 HydrophobicContact CB-CE2 3.6Å; V259-Y410 HydrophobicContact CB-CG 4.42Å; V259-Y410 HydrophobicContact CG1-CE1 4.02Å; V259-Y410 HydrophobicContact CG1-CE2 4.01Å; V259-Y410 HydrophobicContact CG2-CD2 4.19Å; V259-Y410 HydrophobicContact CG2-CE2 3.69Å; V259-Y410 PolarHBondContact N-O 3.11Å; V259-Y410 PolarHBondContact O-N 3.44Å; I274-Y410 HydrophobicContact CG2-CE1 4.29Å; A275-Y410 HydrophobicContact CB-CD1 4.48Å; A275-Y410 HydrophobicContact CB-CD2 3.9Å; A275-Y410 HydrophobicContact CB-CE1 4.33Å; A275-Y410 HydrophobicContact CB-CE2 3.73Å; A275-Y410 HydrophobicContact CB-CG 4.27Å; V364-Y410 HydrophobicContact CG1-CD2 4.33Å; E365-Y410 CarbonylContact O-C 3.55Å; E365-Y410 VanDerWaalsContact O-CA 3.26Å; E365-Y410 WeakPolarHBondContact O-CA 3.02Å; E365-Y410 WeakPolarHBondContact O-CB 3.09Å; W370-Y410 HydrophobicContact CH2-CG 4.49Å; W370-Y410 AromaticContact CZ2-CD1 3.8Å; W370-Y410 HydrophobicContact CZ2-CD1 3.8Å; W370-Y410 AromaticContact CZ2-CG 3.98Å; W370-Y410 HydrophobicContact CZ2-CG 3.98Å; F408-Y410 HydrophobicContact CB-CD1 4.33Å; F408-Y410 HydrophobicContact CB-CE1 4.49Å; Y410-L412 HydrophobicContact CD2-CD1 4.43Å; Y410-L412 HydrophobicContact CD2-CD2 3.8Å; Y410-L412 HydrophobicContact CD2-CG 3.84Å; Y410-L412 HydrophobicContact CE2-CD1 3.91Å; Y410-L412 HydrophobicContact CE2-CD2 3.94Å; Y410-L412 HydrophobicContact CE2-CG 3.83Å
411	R	98.9	Very high	97.4	Very high	61 Å²	61	47.1 Å²	47.1	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.5	173.9	-178	176	-78.8	-171.3	-6.6	109.6	I256 M257 D258 V364 E365 R367 Y413	I256-R411 HydrophobicContact CG2-CG 3.51Å; M257-R411 CarbonylContact O-C 3.56Å; M257-R411 WeakPolarHBondContact O-CA 3.36Å; D258-R411 VanDerWaalsContact CG-NH2 3.32Å; D258-R411 IonicContact OD1-CZ 3.41Å; D258-R411 VanDerWaalsContact OD1-CZ 3.3Å; D258-R411 IonicContact OD1-NE 3.9Å; D258-R411 PolarHBondContact OD1-NE 2.79Å; D258-R411 IonicContact OD1-NH2 3.3Å; D258-R411 PolarHBondContact OD1-NH2 2.89Å; D258-R411 VanDerWaalsContact OD1-NH2 3.08Å; D258-R411 IonicContact OD2-CZ 2.69Å; D258-R411 IonicContact OD2-NE 3.02Å; D258-R411 PolarHBondContact OD2-NE 2.86Å; D258-R411 IonicContact OD2-NH2 3.9Å; D258-R411 PolarHBondContact OD2-NH2 3.33Å; V364-R411 WeakPolarHBondContact CA-O 3.17Å; E365-R411 HydrophobicContact CB-CB 4.36Å; E365-R411 PolarHBondContact N-O 2.75Å; E365-R411 PolarHBondContact O-N 3.2Å; R367-R411 HydrophobicContact CG-CB 4.18Å; R411-Y413 HydrophobicContact CB-CE2 4.03Å; R411-Y413 WeakPolarHBondContact CD-OH 3.46Å; R411-Y413 HydrophobicContact CG-CD2 4.07Å; R411-Y413 HydrophobicContact CG-CE1 4.41Å; R411-Y413 HydrophobicContact CG-CE2 3.51Å
412	L	98.9	Very high	97.2	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.6	177.1	-63.4	-178.8	0	0	0	109.5	F183 A196 I256 M257 V259 L362 W363 V364 Y410 W414	F183-L412 HydrophobicContact CE2-CD1 3.67Å; F183-L412 HydrophobicContact CZ-CD1 3.95Å; A196-L412 HydrophobicContact CB-CD1 4.37Å; I256-L412 CarbonylContact C-O 3.58Å; I256-L412 VanDerWaalsContact CA-O 3.31Å; I256-L412 WeakPolarHBondContact CA-O 3.12Å; M257-L412 HydrophobicContact CB-CB 4.37Å; M257-L412 PolarHBondContact N-O 2.73Å; M257-L412 PolarHBondContact O-N 2.86Å; V259-L412 HydrophobicContact CG2-CD1 4.2Å; V259-L412 HydrophobicContact CG2-CG 4.42Å; L362-L412 HydrophobicContact CD1-CB 4Å; L362-L412 HydrophobicContact CD1-CD2 4.34Å; W363-L412 CarbonylContact O-C 3.59Å; W363-L412 WeakPolarHBondContact O-CA 3.16Å; V364-L412 HydrophobicContact CB-CD2 4.17Å; V364-L412 HydrophobicContact CG1-CD2 4.17Å; V364-L412 HydrophobicContact CG2-CD2 3.65Å; Y410-L412 HydrophobicContact CD2-CD1 4.43Å; Y410-L412 HydrophobicContact CD2-CD2 3.8Å; Y410-L412 HydrophobicContact CD2-CG 3.84Å; Y410-L412 HydrophobicContact CE2-CD1 3.91Å; Y410-L412 HydrophobicContact CE2-CD2 3.94Å; Y410-L412 HydrophobicContact CE2-CG 3.83Å; L412-W414 HydrophobicContact CB-CE3 4.1Å; L412-W414 HydrophobicContact CB-CH2 3.42Å; L412-W414 VanDerWaalsContact CB-CH2 3.42Å; L412-W414 HydrophobicContact CB-CZ2 4.34Å; L412-W414 HydrophobicContact CB-CZ3 3.25Å; L412-W414 HydrophobicContact CD1-CH2 3.38Å; L412-W414 HydrophobicContact CD1-CZ2 4.02Å; L412-W414 HydrophobicContact CD1-CZ3 4.13Å; L412-W414 HydrophobicContact CG-CH2 4.04Å; L412-W414 HydrophobicContact CG-CZ3 4.33Å
413	Y	98.8	Very high	97	Very high	21 Å²	21	44.6 Å²	44.6	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.6	178.7	-59.4	-103.5	0	0	0	109.9	I256 L362 W363 E365 R411 P419	I256-Y413 HydrophobicContact CD1-CD1 3.85Å; I256-Y413 HydrophobicContact CD1-CE1 3.84Å; I256-Y413 HydrophobicContact CG1-CD1 3.81Å; I256-Y413 HydrophobicContact CG1-CE1 4.24Å; I256-Y413 HydrophobicContact CG2-CD1 4.1Å; I256-Y413 HydrophobicContact CG2-CE1 4.08Å; L362-Y413 WeakPolarHBondContact CA-O 3.28Å; W363-Y413 HydrophobicContact CB-CD2 4.49Å; W363-Y413 PolarHBondContact N-O 2.95Å; W363-Y413 VanDerWaalsContact N-O 3.1Å; W363-Y413 PolarHBondContact O-N 2.84Å; E365-Y413 HydrophobicContact CB-CE2 3.88Å; E365-Y413 VanDerWaalsContact OE2-CE2 3.27Å; E365-Y413 WeakPolarHBondContact OE2-CE2 3.5Å; E365-Y413 VanDerWaalsContact OE2-CZ 3.31Å; E365-Y413 PolarHBondContact OE2-OH 3.16Å; R411-Y413 HydrophobicContact CB-CE2 4.03Å; R411-Y413 WeakPolarHBondContact CD-OH 3.46Å; R411-Y413 HydrophobicContact CG-CD2 4.07Å; R411-Y413 HydrophobicContact CG-CE1 4.41Å; R411-Y413 HydrophobicContact CG-CE2 3.51Å; Y413-P419 HydrophobicContact CD1-CB 3.84Å; Y413-P419 HydrophobicContact CD1-CG 3.76Å; Y413-P419 HydrophobicContact CD2-CG 3.69Å; Y413-P419 HydrophobicContact CE1-CB 3.71Å; Y413-P419 HydrophobicContact CE1-CG 3.8Å; Y413-P419 HydrophobicContact CE2-CB 4.49Å; Y413-P419 HydrophobicContact CE2-CG 3.73Å; Y413-P419 HydrophobicContact CG-CB 4.28Å; Y413-P419 HydrophobicContact CG-CG 3.68Å
414	W	98.7	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	104.2	170.2	-70.7	-99.6	0	0	0	108.9	F183 A185 A196 Q254 V255 M257 P360 S361 L362 L412	F183-W414 HydrophobicContact CD2-CH2 4.14Å; F183-W414 HydrophobicContact CD2-CZ2 4.07Å; F183-W414 AromaticContact CE2-CH2 3.82Å; F183-W414 HydrophobicContact CE2-CH2 3.82Å; F183-W414 AromaticContact CE2-CZ2 3.98Å; F183-W414 HydrophobicContact CE2-CZ2 3.98Å; A185-W414 HydrophobicContact CB-CB 4.13Å; A185-W414 HydrophobicContact CB-CD2 3.72Å; A185-W414 HydrophobicContact CB-CE3 4.12Å; A185-W414 HydrophobicContact CB-CG 3.73Å; A185-W414 VanDerWaalsContact O-CD1 3.31Å; A196-W414 HydrophobicContact CB-CZ2 4.24Å; Q254-W414 WeakPolarHBondContact CA-O 3.46Å; Q254-W414 WeakPolarHBondContact CB-O 3.5Å; V255-W414 HydrophobicContact CB-CB 4.5Å; V255-W414 HydrophobicContact CG1-CE3 4.35Å; V255-W414 PolarHBondContact N-O 2.56Å; V255-W414 PolarHBondContact O-N 3.08Å; M257-W414 HydrophobicContact CB-CH2 4.16Å; M257-W414 HydrophobicContact CB-CZ3 3.7Å; M257-W414 HydrophobicContact CE-CE3 4.27Å; M257-W414 HydrophobicContact CE-CH2 3.74Å; M257-W414 HydrophobicContact CE-CZ2 4.32Å; M257-W414 HydrophobicContact CE-CZ3 3.75Å; M257-W414 HydrophobicContact CG-CE3 4.28Å; M257-W414 HydrophobicContact CG-CH2 3.84Å; M257-W414 HydrophobicContact CG-CZ3 3.35Å; M257-W414 HydrophobicContact SD-CH2 3.35Å; M257-W414 WeakPolarHBondContact SD-CH2 3.35Å; M257-W414 HydrophobicContact SD-CZ2 4.33Å; M257-W414 HydrophobicContact SD-CZ3 3.52Å; M257-W414 VanDerWaalsContact SD-CZ3 3.52Å; P360-W414 HydrophobicContact CB-CB 4.38Å; S361-W414 WeakPolarHBondContact O-CA 3.47Å; L362-W414 HydrophobicContact CD1-CD2 3.6Å; L362-W414 VanDerWaalsContact CD1-CE2 3.44Å; L362-W414 HydrophobicContact CD1-CE3 4.01Å; L362-W414 HydrophobicContact CD1-CG 4.05Å; L362-W414 HydrophobicContact CD1-CH2 4.19Å; L362-W414 HydrophobicContact CD1-CZ2 3.78Å; L362-W414 HydrophobicContact CD1-CZ3 4.27Å; L362-W414 HydrophobicContact CD2-CZ2 4.1Å; L412-W414 HydrophobicContact CB-CE3 4.1Å; L412-W414 HydrophobicContact CB-CH2 3.42Å; L412-W414 VanDerWaalsContact CB-CH2 3.42Å; L412-W414 HydrophobicContact CB-CZ2 4.34Å; L412-W414 HydrophobicContact CB-CZ3 3.25Å; L412-W414 HydrophobicContact CD1-CH2 3.38Å; L412-W414 HydrophobicContact CD1-CZ2 4.02Å; L412-W414 HydrophobicContact CD1-CZ3 4.13Å; L412-W414 HydrophobicContact CG-CH2 4.04Å; L412-W414 HydrophobicContact CG-CZ3 4.33Å
415	S	97.5	Very high	97	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	157.6	-169.1	52.7	0	0	0	0	111.2	S361 Q417	S361-S415 WeakPolarHBondContact CA-O 3.46Å; S361-S415 VanDerWaalsContact CB-O 3.3Å; S361-S415 WeakPolarHBondContact CB-O 3.23Å; S361-S415 PolarHBondContact N-O 2.92Å; S361-S415 PolarHBondContact O-N 3.28Å; S361-S415 VanDerWaalsContact O-N 3.15Å; S415-Q417 VanDerWaalsContact C-N 3.27Å; S415-Q417 WeakPolarHBondContact CB-O 3.3Å; S415-Q417 PolarHBondContact O-N 2.83Å; S415-Q417 PolarHBondContact OG-O 2.86Å
416	A	95.7	Very high	97	Very high	26 Å²	26	43.2 Å²	43.2	22%	0.215	23%	0.227	C	C	.	.	S	Bend	trans	-63.6	-33.2	175.3	0	0	0	0	0	113.1	D187 R344	D187-A416 PolarHBondContact OD2-N 3.23Å; R344-A416 VanDerWaalsContact CZ-CB 3.47Å
417	Q	94.8	Very high	97	Very high	86 Å²	86	42 Å²	42	40%	0.402	22%	0.222	S	C	.	.	S	Bend	trans	-129.6	138.3	178.2	-64.5	-64.2	-65.6	0	0	109.1	S415	S415-Q417 VanDerWaalsContact C-N 3.27Å; S415-Q417 WeakPolarHBondContact CB-O 3.3Å; S415-Q417 PolarHBondContact O-N 2.83Å; S415-Q417 PolarHBondContact OG-O 2.86Å
418	P	95.2	Very high	96.9	Very high	21 Å²	21	44 Å²	44	14%	0.136	23%	0.225	C	C	.	.			trans	-59.9	152.9	176.3	28.2	-36	0	0	0	111.1	L340 W363 V420	L340-P418 HydrophobicContact CD1-CG 4.02Å; L340-P418 HydrophobicContact CD2-CB 4.26Å; L340-P418 HydrophobicContact CD2-CG 4.42Å; W363-P418 HydrophobicContact CB-CB 4.28Å; W363-P418 HydrophobicContact CD2-CB 4.15Å; W363-P418 HydrophobicContact CE3-CB 4.07Å; W363-P418 HydrophobicContact CG-CB 4.27Å; P418-V420 WeakPolarHBondContact CB-O 3.42Å; P418-V420 WeakPolarHBondContact CG-O 3.42Å; P418-V420 PolarHBondContact O-N 2.78Å; P418-V420 VanDerWaalsContact O-N 3.14Å
419	P	96.4	Very high	96.8	Very high	58 Å²	58	44 Å²	44	38%	0.377	23%	0.227	S	C	.	.	S	Bend	trans	-68.6	-13.4	-177.9	32.1	-39.8	0	0	0	113.2	W363 Y413	W363-P419 HydrophobicContact CG-CG 4.29Å; Y413-P419 HydrophobicContact CD1-CB 3.84Å; Y413-P419 HydrophobicContact CD1-CG 3.76Å; Y413-P419 HydrophobicContact CD2-CG 3.69Å; Y413-P419 HydrophobicContact CE1-CB 3.71Å; Y413-P419 HydrophobicContact CE1-CG 3.8Å; Y413-P419 HydrophobicContact CE2-CB 4.49Å; Y413-P419 HydrophobicContact CE2-CG 3.73Å; Y413-P419 HydrophobicContact CG-CB 4.28Å; Y413-P419 HydrophobicContact CG-CG 3.68Å
420	V	96.4	Very high	96.8	Very high	44 Å²	44	40.7 Å²	40.7	27%	0.267	21%	0.212	S	C	.	.	S	Bend	trans	-134	149.8	178.9	-71.6	0	0	0	0	108.8	W307 W313 W363 P418	W307-V420 HydrophobicContact CE3-CG2 4.21Å; W307-V420 HydrophobicContact CZ3-CB 4.38Å; W307-V420 HydrophobicContact CZ3-CG1 4.16Å; W307-V420 HydrophobicContact CZ3-CG2 4.41Å; W313-V420 HydrophobicContact CH2-CB 4.13Å; W313-V420 HydrophobicContact CH2-CG2 3.82Å; W313-V420 HydrophobicContact CZ2-CB 4.46Å; W363-V420 HydrophobicContact CD2-CG2 4.48Å; W363-V420 HydrophobicContact CH2-CG2 4.47Å; W363-V420 HydrophobicContact CZ2-CG2 3.56Å; P418-V420 WeakPolarHBondContact CB-O 3.42Å; P418-V420 WeakPolarHBondContact CG-O 3.42Å; P418-V420 PolarHBondContact O-N 2.78Å; P418-V420 VanDerWaalsContact O-N 3.14Å
421	H	92.8	Very high	96.7	Very high	136 Å²	136	44.9 Å²	44.9	63%	0.63	23%	0.228	S	C	*	.			trans	-139.6	158.6	177.7	60.3	81.6	0	0	0	110.8
422	C	94	Very high	96.5	Very high	13 Å²	13	43 Å²	43	9%	0.088	22%	0.223	C	C	.	.			trans	-56.6	131.1	169.3	-172.7	0	0	0	0	109.5	W313 L424 E528	W313-C422 HydrophobicContact CB-CB 3.98Å; W313-C422 HydrophobicContact CD2-CB 3.9Å; W313-C422 HydrophobicContact CE3-CB 4.36Å; W313-C422 HydrophobicContact CG-CB 3.71Å; C422-L424 VanDerWaalsContact SG-CB 3.58Å; C422-L424 PolarHBondContact SG-N 2.9Å; C422-L424 VanDerWaalsContact SG-N 3.35Å; C422-E528 HydrophobicContact CB-CB 4.43Å
423	P	94.4	Very high	96.2	Very high	98 Å²	98	43.9 Å²	43.9	64%	0.636	23%	0.233	S	C	*	.	S	Bend	trans	-77	-12.7	173.1	31.6	-35	0	0	0	112.5
424	L	96.8	Very high	95.9	Very high	69 Å²	69	45.8 Å²	45.8	36%	0.361	24%	0.244	S	C	.	.	S	Bend	trans	-91.6	-176.2	177.5	-51.4	-179.2	0	0	0	111	C422 R426	C422-L424 VanDerWaalsContact SG-CB 3.58Å; C422-L424 PolarHBondContact SG-N 2.9Å; C422-L424 VanDerWaalsContact SG-N 3.35Å; L424-R426 PolarHBondContact O-N 2.86Å
425	A	98	Very high	95.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-60.2	138.7	171.8	0	0	0	0	0	111.4	F459 V460 L464 I526 S527 E528	A425-F459 HydrophobicContact CB-CB 4.41Å; A425-V460 WeakPolarHBondContact CA-O 3.44Å; A425-L464 HydrophobicContact CB-CD1 3.7Å; A425-L464 HydrophobicContact CB-CD2 3.79Å; A425-L464 HydrophobicContact CB-CG 3.69Å; A425-I526 VanDerWaalsContact CB-O 3.25Å; A425-I526 WeakPolarHBondContact CB-O 3.47Å; A425-I526 PolarHBondContact N-O 2.86Å; A425-S527 CarbonylContact O-C 3.52Å; A425-S527 WeakPolarHBondContact O-CA 3.34Å; A425-S527 WeakPolarHBondContact O-CB 3.34Å; A425-E528 PolarHBondContact O-N 3.4Å
426	R	97.3	Very high	95.5	Very high	105 Å²	105	46.3 Å²	46.3	40%	0.396	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	151.3	-179.9	67.3	-175.6	-175.3	-179.5	3.1	111.1	L424 M428 F459 V460	L424-R426 PolarHBondContact O-N 2.86Å; R426-M428 PolarHBondContact O-N 3.05Å; R426-F459 VanDerWaalsContact O-CA 3.28Å; R426-F459 WeakPolarHBondContact O-CA 2.98Å; R426-V460 HydrophobicContact CG-CG2 3.8Å; R426-V460 PolarHBondContact N-O 2.78Å; R426-V460 PolarHBondContact O-N 3.16Å
427	V	98	Very high	95.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	114.1	169.8	177.5	0	0	0	0	108	R303 C315 V457 D458 F459 E528 W530	R303-V427 PolarHBondContact NH1-O 2.78Å; C315-V427 HydrophobicContact CB-CB 4.15Å; C315-V427 HydrophobicContact CB-CG2 4.11Å; V427-V457 HydrophobicContact CB-CG1 4.49Å; V427-V457 HydrophobicContact CG1-CG1 3.78Å; V427-V457 HydrophobicContact CG2-CG1 4.04Å; V427-D458 CarbonylContact C-O 3.6Å; V427-D458 WeakPolarHBondContact CA-O 3.14Å; V427-F459 HydrophobicContact CG2-CD1 4.14Å; V427-F459 HydrophobicContact CG2-CE1 3.55Å; V427-F459 HydrophobicContact CG2-CZ 3.94Å; V427-E528 WeakPolarHBondContact CB-OE1 3.5Å; V427-E528 HydrophobicContact CG2-CG 4.17Å; V427-E528 PolarHBondContact N-OE1 2.8Å; V427-W530 HydrophobicContact CG2-CB 3.94Å; V427-W530 HydrophobicContact CG2-CG 4.4Å
428	M	96.7	Very high	95.1	Very high	86 Å²	86	46.1 Å²	46.1	42%	0.424	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-53	171.7	-174.7	-179	-176.9	0	0	110.2	R303 R426 D458 V460 I494	R303-M428 PolarHBondContact NH2-O 2.98Å; R426-M428 PolarHBondContact O-N 3.05Å; M428-D458 HydrophobicContact CB-CB 4.17Å; M428-D458 PolarHBondContact N-O 3.3Å; M428-V460 HydrophobicContact CB-CG1 3.97Å; M428-V460 HydrophobicContact CB-CG2 3.9Å; M428-V460 HydrophobicContact CG-CG1 4.38Å; M428-V460 HydrophobicContact CG-CG2 4.43Å; M428-V460 HydrophobicContact SD-CG1 3.73Å; M428-I494 HydrophobicContact CE-CB 4.49Å; M428-I494 HydrophobicContact CE-CG2 4Å; M428-I494 HydrophobicContact SD-CB 3.93Å; M428-I494 HydrophobicContact SD-CD1 3.97Å; M428-I494 HydrophobicContact SD-CG2 3.89Å
429	A	96.5	Very high	94.6	Very high	14 Å²	14	49.2 Å²	49.2	12%	0.116	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	149.6	-174.4	0	0	0	0	0	111.5	D458	A429-D458 PolarHBondContact O-N 3.14Å
430	T	98.1	Very high	94	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131	169.9	-61.8	0	0	0	0	108.7	T285 N286 P317 W530 Y532	T285-T430 CarbonylContact C-O 3.57Å; T285-T430 WeakPolarHBondContact CB-O 3.4Å; T285-T430 PolarHBondContact OG1-O 3.36Å; N286-T430 HydrophobicContact CB-CG2 3.84Å; N286-T430 WeakPolarHBondContact CB-O 3.3Å; N286-T430 PolarHBondContact N-O 2.94Å; P317-T430 HydrophobicContact CG-CG2 4.35Å; P317-T430 VanDerWaalsContact CG-OG1 3.28Å; P317-T430 WeakPolarHBondContact CG-OG1 3.45Å; T430-W530 HydrophobicContact CG2-CZ2 3.74Å; T430-W530 PolarHBondContact OG1-NE1 2.98Å; T430-Y532 HydrophobicContact CG2-CD2 4.38Å; T430-Y532 HydrophobicContact CG2-CE2 4.32Å
431	R	96.4	Very high	93.5	Very high	90 Å²	90	57.5 Å²	57.5	34%	0.34	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.2	176.7	-68.3	178.3	-170.4	78.7	-3.2	109.8	A456 D458 R498	R431-A456 HydrophobicContact CB-CB 4.25Å; R431-A456 PolarHBondContact N-O 3.16Å; R431-A456 PolarHBondContact O-N 3.1Å; R431-D458 IonicContact CZ-OD2 3.47Å; R431-D458 IonicContact NH1-OD1 3.54Å; R431-D458 IonicContact NH1-OD2 2.68Å; R431-D458 PolarHBondContact NH1-OD2 2.79Å; R431-D458 IonicContact NH2-OD2 3.58Å; R431-R498 VanDerWaalsContact NH1-NH2 3.15Å
432	T	95.4	Very high	92.9	Very high	21 Å²	21	54.5 Å²	54.5	13%	0.129	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.9	173.9	76.4	0	0	0	0	110.2	N286 R453 R454 F455 Y532	N286-T432 HydrophobicContact CB-CG2 4.3Å; N286-T432 WeakPolarHBondContact O-CG2 3.39Å; N286-T432 PolarHBondContact O-OG1 3.43Å; T432-R453 VanDerWaalsContact C-NH2 3.34Å; T432-R453 PolarHBondContact O-NH2 2.79Å; T432-R453 PolarHBondContact OG1-NE 3.4Å; T432-R453 PolarHBondContact OG1-NH2 3.14Å; T432-R454 CarbonylContact C-O 3.55Å; T432-R454 VanDerWaalsContact CA-O 3.23Å; T432-R454 WeakPolarHBondContact CA-O 3.26Å; T432-F455 HydrophobicContact CG2-CD1 3.61Å; T432-F455 HydrophobicContact CG2-CE1 3.56Å; T432-F455 HydrophobicContact CG2-CZ 4.5Å; T432-Y532 HydrophobicContact CG2-CE1 4.48Å
433	G	92.5	Very high	92.3	Very high	22 Å²	22	54.8 Å²	54.8	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	-176	-173.4	0	0	0	0	0	113.3	R453 R454	G433-R453 VanDerWaalsContact C-NH1 3.27Å; G433-R453 WeakPolarHBondContact O-CD 3.24Å; G433-R453 PolarHBondContact O-NE 2.9Å; G433-R453 PolarHBondContact O-NH1 3.3Å; G433-R454 PolarHBondContact N-O 2.92Å; G433-R454 PolarHBondContact O-N 3.29Å
434	M	92.4	Very high	91.6	Very high	60 Å²	60	52.5 Å²	52.5	30%	0.296	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	135.4	168.4	-163.5	174.9	41	0	0	109.3	F437 P443 Y447 R454 Y544	M434-F437 HydrophobicContact CB-CE1 3.8Å; M434-F437 HydrophobicContact CB-CZ 4.26Å; M434-F437 HydrophobicContact CE-CD1 4.48Å; M434-F437 HydrophobicContact CE-CE1 3.71Å; M434-F437 HydrophobicContact CE-CZ 4.08Å; M434-F437 HydrophobicContact CG-CE1 3.75Å; M434-F437 VanDerWaalsContact O-CE1 3.25Å; M434-F437 WeakPolarHBondContact O-CE1 3.35Å; M434-F437 VanDerWaalsContact O-CZ 3.32Å; M434-F437 WeakPolarHBondContact O-CZ 3.47Å; M434-F437 HydrophobicContact SD-CE1 4.33Å; M434-P443 HydrophobicContact CE-CG 3.53Å; M434-P443 HydrophobicContact SD-CG 4.07Å; M434-Y447 HydrophobicContact CE-CE1 4.29Å; M434-Y447 HydrophobicContact SD-CD1 3.91Å; M434-Y447 HydrophobicContact SD-CE1 3.74Å; M434-R454 VanDerWaalsContact O-CB 3.29Å; M434-R454 WeakPolarHBondContact O-CB 3.28Å; M434-Y544 HydrophobicContact CB-CE1 4.46Å; M434-Y544 HydrophobicContact CG-CD1 3.55Å; M434-Y544 HydrophobicContact CG-CE1 3.17Å; M434-Y544 HydrophobicContact SD-CD1 3.47Å; M434-Y544 WeakPolarHBondContact SD-CD1 3.42Å; M434-Y544 HydrophobicContact SD-CE1 3.75Å; M434-Y544 HydrophobicContact SD-CG 4.01Å
435	G	94.6	Very high	90.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.314	C	S	.	.			trans	-117.3	-171.4	176.4	0	0	0	0	0	112.9	F437 A452 Y544	G435-F437 VanDerWaalsContact O-CD1 3.25Å; G435-F437 WeakPolarHBondContact O-CD1 3.35Å; G435-A452 PolarHBondContact N-O 2.78Å; G435-Y544 PolarHBondContact O-OH 3.21Å
436	G	93.7	Very high	90.1	Very high	16 Å²	16	63.4 Å²	63.4	17%	0.165	35%	0.349	C	S	.	.	S	Bend	trans	85.9	10.8	173.5	0	0	0	0	0	115.7	P448 D502 Y504	G436-P448 WeakPolarHBondContact O-CB 3.48Å; G436-P448 VanDerWaalsContact O-CG 3.23Å; G436-P448 WeakPolarHBondContact O-CG 3.36Å; G436-D502 PolarHBondContact N-OD2 3.3Å; G436-Y504 WeakPolarHBondContact CA-OH 3.48Å
437	F	92	Very high	89.6	Confident	24 Å²	24	62 Å²	62	11%	0.105	34%	0.344	C	S	.	.	S	Bend	trans	-136	153.3	176.3	55.2	-87.3	0	0	0	110.1	M434 G435 W441 A442 P443 P448 R454	M434-F437 HydrophobicContact CB-CE1 3.8Å; M434-F437 HydrophobicContact CB-CZ 4.26Å; M434-F437 HydrophobicContact CE-CD1 4.48Å; M434-F437 HydrophobicContact CE-CE1 3.71Å; M434-F437 HydrophobicContact CE-CZ 4.08Å; M434-F437 HydrophobicContact CG-CE1 3.75Å; M434-F437 VanDerWaalsContact O-CE1 3.25Å; M434-F437 WeakPolarHBondContact O-CE1 3.35Å; M434-F437 VanDerWaalsContact O-CZ 3.32Å; M434-F437 WeakPolarHBondContact O-CZ 3.47Å; M434-F437 HydrophobicContact SD-CE1 4.33Å; G435-F437 VanDerWaalsContact O-CD1 3.25Å; G435-F437 WeakPolarHBondContact O-CD1 3.35Å; F437-W441 WeakPolarHBondContact CD2-O 3.31Å; F437-A442 HydrophobicContact CE2-CB 4.19Å; F437-P443 HydrophobicContact CD1-CG 4.19Å; F437-P448 HydrophobicContact CB-CG 4.12Å; F437-P448 HydrophobicContact CD1-CG 4.08Å; F437-R454 PolarHBondContact O-NH1 3.22Å; F437-R454 PolarHBondContact O-NH2 3.03Å
438	P	89.1	Confident	89.2	Confident	85 Å²	85	63.2 Å²	63.2	55%	0.552	35%	0.352	S	S	*	.			trans	-58.3	145.7	175.6	-23.4	34.4	0	0	0	112.6	G440 W441	P438-G440 PolarHBondContact O-N 2.66Å; P438-W441 PolarHBondContact O-N 3.05Å; P438-W441 VanDerWaalsContact O-N 3.11Å
439	E	84.7	Confident	88.8	Confident	86 Å²	86	68.6 Å²	68.6	40%	0.402	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	141.1	176.3	-175	61.3	-175.6	0	0	112	W441 R454 L489 Q500	E439-W441 PolarHBondContact O-N 2.85Å; E439-R454 IonicContact OE2-CZ 3.47Å; E439-R454 IonicContact OE2-NH1 2.79Å; E439-R454 PolarHBondContact OE2-NH1 2.65Å; E439-L489 HydrophobicContact CG-CD1 4.2Å; E439-Q500 VanDerWaalsContact CD-OE1 3.27Å; E439-Q500 PolarHBondContact OE2-OE1 3.35Å; E439-Q500 VanDerWaalsContact OE2-OE1 3.12Å
440	G	84	Confident	88.6	Confident	71 Å²	71	75.1 Å²	75.1	73%	0.732	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-5.6	-174	0	0	0	0	0	115.2	P438	P438-G440 PolarHBondContact O-N 2.66Å
441	W	85.8	Confident	88.4	Confident	205 Å²	205	76.6 Å²	76.6	78%	0.777	41%	0.407	S	S	*	.			trans	-114	51.6	177.7	-86.8	92.2	0	0	0	112.3	F437 P438 E439 P443	F437-W441 WeakPolarHBondContact CD2-O 3.31Å; P438-W441 PolarHBondContact O-N 3.05Å; P438-W441 VanDerWaalsContact O-N 3.11Å; E439-W441 PolarHBondContact O-N 2.85Å; W441-P443 WeakPolarHBondContact O-CD 3.41Å; W441-P443 VanDerWaalsContact O-N 3.12Å
442	A	80.5	Confident	88.4	Confident	73 Å²	73	72.3 Å²	72.3	60%	0.603	39%	0.391	S	S	*	.			trans	-56	121.1	173.5	0	0	0	0	0	109.5	F437 G444	F437-A442 HydrophobicContact CE2-CB 4.19Å; A442-G444 PolarHBondContact O-N 3.07Å
443	P	81.3	Confident	88.5	Confident	18 Å²	18	74.2 Å²	74.2	12%	0.117	40%	0.396	C	S	.	.			trans	-64.6	119.5	-173.7	27.1	-38.1	0	0	0	110.8	M434 F437 W441 H446 Y447	M434-P443 HydrophobicContact CE-CG 3.53Å; M434-P443 HydrophobicContact SD-CG 4.07Å; F437-P443 HydrophobicContact CD1-CG 4.19Å; W441-P443 WeakPolarHBondContact O-CD 3.41Å; W441-P443 VanDerWaalsContact O-N 3.12Å; P443-H446 WeakPolarHBondContact CB-O 3.34Å; P443-Y447 HydrophobicContact CB-CD1 4.09Å; P443-Y447 HydrophobicContact CB-CG 4.41Å; P443-Y447 HydrophobicContact CG-CD1 3.63Å; P443-Y447 HydrophobicContact CG-CE1 4Å; P443-Y447 HydrophobicContact CG-CG 4.4Å
444	G	79.1	Confident	88.7	Confident	51 Å²	51	73.8 Å²	73.8	53%	0.526	39%	0.387	S	S	.	.	S	Bend	trans	-94.4	-31.6	169.4	0	0	0	0	0	113.3	A442 R548	A442-G444 PolarHBondContact O-N 3.07Å; G444-R548 PolarHBondContact O-NH1 2.79Å; G444-R548 PolarHBondContact O-NH2 3.15Å
445	E	81	Confident	88.9	Confident	138 Å²	138	70.9 Å²	70.9	65%	0.645	37%	0.373	S	S	*	.	S	Bend	trans	-124.9	-27.5	-177.6	-64.3	-171.4	167.9	0	0	113.9
446	H	82.6	Confident	89.1	Confident	159 Å²	159	71.2 Å²	71.2	74%	0.736	38%	0.376	S	S	*	.			trans	-125.3	80.9	-171.2	-60.8	-55.7	0	0	0	110.4	P443	P443-H446 WeakPolarHBondContact CB-O 3.34Å
447	Y	86.3	Confident	89.3	Confident	76 Å²	76	70.5 Å²	70.5	30%	0.298	37%	0.368	S	S	.	.			trans	-61.2	144.6	173.7	-74.2	-77.4	0	0	0	111.3	M434 P443 E449 Y544 V545 D546	M434-Y447 HydrophobicContact CE-CE1 4.29Å; M434-Y447 HydrophobicContact SD-CD1 3.91Å; M434-Y447 HydrophobicContact SD-CE1 3.74Å; P443-Y447 HydrophobicContact CB-CD1 4.09Å; P443-Y447 HydrophobicContact CB-CG 4.41Å; P443-Y447 HydrophobicContact CG-CD1 3.63Å; P443-Y447 HydrophobicContact CG-CE1 4Å; P443-Y447 HydrophobicContact CG-CG 4.4Å; Y447-E449 PolarHBondContact O-N 3.13Å; Y447-Y544 HydrophobicContact CD1-CD1 4.47Å; Y447-Y544 AromaticContact CD1-CD2 3.95Å; Y447-Y544 HydrophobicContact CD1-CD2 3.95Å; Y447-Y544 AromaticContact CD1-CG 3.64Å; Y447-Y544 HydrophobicContact CD1-CG 3.64Å; Y447-Y544 HydrophobicContact CE1-CG 4.31Å; Y447-Y544 HydrophobicContact CG-CD2 4.3Å; Y447-Y544 HydrophobicContact CG-CG 4.25Å; Y447-V545 PolarHBondContact OH-O 3.46Å; Y447-D546 HydrophobicContact CD2-CB 4.23Å; Y447-D546 HydrophobicContact CE2-CB 3.69Å
448	P	89.5	Confident	89.6	Confident	28 Å²	28	69.5 Å²	69.5	18%	0.182	36%	0.364	C	S	.	.			trans	-57.4	138.1	174.2	-21	27.9	0	0	0	111.3	G436 F437 K450 Y544	G436-P448 WeakPolarHBondContact O-CB 3.48Å; G436-P448 VanDerWaalsContact O-CG 3.23Å; G436-P448 WeakPolarHBondContact O-CG 3.36Å; F437-P448 HydrophobicContact CB-CG 4.12Å; F437-P448 HydrophobicContact CD1-CG 4.08Å; P448-K450 PolarHBondContact O-N 2.69Å; P448-Y544 HydrophobicContact CB-CE2 3.92Å; P448-Y544 HydrophobicContact CG-CE2 3.87Å
449	E	88.4	Confident	90.1	Very high	199 Å²	199	65.4 Å²	65.4	93%	0.93	34%	0.338	S	S	*	.	S	Bend	trans	-60.2	-29.5	179.2	-63.7	-176.2	167.4	0	0	112.8	Y447	Y447-E449 PolarHBondContact O-N 3.13Å
450	K	92.4	Very high	90.7	Very high	150 Å²	150	62 Å²	62	65%	0.652	32%	0.323	S	S	*	.	S	Bend	trans	-112.4	127	177.8	-65.8	-172.4	179.9	-176.6	0	110.2	P448 Y504	P448-K450 PolarHBondContact O-N 2.69Å; K450-Y504 HydrophobicContact CB-CE1 4.22Å
451	W	94.9	Very high	91.2	Very high	36 Å²	36	60.8 Å²	60.8	14%	0.136	31%	0.31	C	S	.	.			trans	-67.6	139	173.6	-177.4	98.7	0	0	0	111.3	R453 W503 P505 Y534 P537 R542 Y544	W451-R453 HydrophobicContact CH2-CB 3.97Å; W451-W503 HydrophobicContact CH2-CZ3 4.42Å; W451-W503 HydrophobicContact CZ3-CE3 4.17Å; W451-W503 AromaticContact CZ3-CZ3 3.87Å; W451-W503 HydrophobicContact CZ3-CZ3 3.87Å; W451-P505 HydrophobicContact CE3-CG 4.27Å; W451-P505 HydrophobicContact CZ3-CG 4.47Å; W451-Y534 WeakPolarHBondContact CH2-OH 3.46Å; W451-P537 HydrophobicContact CH2-CG 3.86Å; W451-P537 HydrophobicContact CZ2-CG 3.69Å; W451-R542 HydrophobicContact CB-CB 4.04Å; W451-R542 WeakPolarHBondContact CB-O 3.33Å; W451-R542 HydrophobicContact CD2-CB 3.71Å; W451-R542 HydrophobicContact CD2-CG 4.01Å; W451-R542 HydrophobicContact CE3-CB 3.93Å; W451-R542 HydrophobicContact CE3-CG 3.87Å; W451-R542 HydrophobicContact CG-CB 3.77Å; W451-R542 HydrophobicContact CZ3-CG 4.17Å; W451-Y544 WeakPolarHBondContact CA-OH 3.19Å; W451-Y544 AromaticContact CD1-CD1 3.83Å; W451-Y544 AromaticContact CD1-CE1 3.43Å; W451-Y544 VanDerWaalsContact CD1-CE1 3.43Å; W451-Y544 AromaticContact CD1-CZ 3.9Å; W451-Y544 HydrophobicContact CG-CE1 4.17Å; W451-Y544 AromaticContact NE1-CE1 3.91Å
452	A	96.6	Very high	91.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.296	C	S	.	.			trans	-148.7	158.2	175.7	0	0	0	0	0	110.5	G435 D502 W503 Y504 Y544	G435-A452 PolarHBondContact N-O 2.78Å; A452-D502 HydrophobicContact CB-CB 4.35Å; A452-W503 WeakPolarHBondContact CA-O 3.35Å; A452-W503 WeakPolarHBondContact CB-O 3.25Å; A452-Y504 HydrophobicContact CB-CD1 3.79Å; A452-Y504 HydrophobicContact CB-CD2 4.12Å; A452-Y504 HydrophobicContact CB-CE1 3.64Å; A452-Y504 HydrophobicContact CB-CE2 3.95Å; A452-Y504 HydrophobicContact CB-CG 4.05Å; A452-Y544 PolarHBondContact N-OH 3.27Å; A452-Y544 PolarHBondContact O-OH 3.24Å
453	R	96.4	Very high	92	Very high	61 Å²	61	54.8 Å²	54.8	23%	0.23	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.8	172.4	-170.7	74.4	-175.6	164.3	-5.8	109.9	T432 G433 W451 F455 W503 Y534	T432-R453 VanDerWaalsContact C-NH2 3.34Å; T432-R453 PolarHBondContact O-NH2 2.79Å; T432-R453 PolarHBondContact OG1-NE 3.4Å; T432-R453 PolarHBondContact OG1-NH2 3.14Å; G433-R453 VanDerWaalsContact C-NH1 3.27Å; G433-R453 WeakPolarHBondContact O-CD 3.24Å; G433-R453 PolarHBondContact O-NE 2.9Å; G433-R453 PolarHBondContact O-NH1 3.3Å; W451-R453 HydrophobicContact CH2-CB 3.97Å; R453-F455 HydrophobicContact CB-CE2 3.99Å; R453-F455 HydrophobicContact CG-CE2 3.77Å; R453-F455 HydrophobicContact CG-CZ 3.91Å; R453-F455 WeakPolarHBondContact O-CD2 3.12Å; R453-W503 HydrophobicContact CB-CE3 4.48Å; R453-W503 PolarHBondContact N-O 2.96Å; R453-W503 PolarHBondContact O-N 3.37Å; R453-Y534 HydrophobicContact CB-CE1 4.21Å; R453-Y534 HydrophobicContact CG-CE1 4.4Å; R453-Y534 HydrophobicContact CG-CE2 3.97Å
454	R	96.6	Very high	92.6	Very high	13 Å²	13	54.2 Å²	54.2	5%	0.049	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.1	171.9	177.5	153.8	-70.8	174.4	6.1	110.9	T432 G433 M434 F437 E439 Q500 D502	T432-R454 CarbonylContact C-O 3.55Å; T432-R454 VanDerWaalsContact CA-O 3.23Å; T432-R454 WeakPolarHBondContact CA-O 3.26Å; G433-R454 PolarHBondContact N-O 2.92Å; G433-R454 PolarHBondContact O-N 3.29Å; M434-R454 VanDerWaalsContact O-CB 3.29Å; M434-R454 WeakPolarHBondContact O-CB 3.28Å; F437-R454 PolarHBondContact O-NH1 3.22Å; F437-R454 PolarHBondContact O-NH2 3.03Å; E439-R454 IonicContact OE2-CZ 3.47Å; E439-R454 IonicContact OE2-NH1 2.79Å; E439-R454 PolarHBondContact OE2-NH1 2.65Å; R454-Q500 HydrophobicContact CG-CG 3.97Å; R454-D502 WeakPolarHBondContact CA-OD1 3.34Å; R454-D502 VanDerWaalsContact CB-OD1 3.26Å; R454-D502 WeakPolarHBondContact CB-OD1 2.79Å; R454-D502 IonicContact CZ-OD1 3.81Å; R454-D502 IonicContact CZ-OD2 3.73Å; R454-D502 IonicContact NE-OD1 3.65Å; R454-D502 PolarHBondContact NE-OD1 2.78Å; R454-D502 IonicContact NE-OD2 2.85Å; R454-D502 IonicContact NH2-OD1 2.75Å; R454-D502 PolarHBondContact NH2-OD1 3.15Å; R454-D502 VanDerWaalsContact NH2-OD1 3.14Å; R454-D502 IonicContact NH2-OD2 2.87Å; R454-D502 PolarHBondContact NH2-OD2 2.84Å
455	F	97.9	Very high	93.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.1	166.3	-66.8	-91.5	0	0	0	109	T432 R453 Q500 F501 W503 M515 W530 Y532 Y534	T432-F455 HydrophobicContact CG2-CD1 3.61Å; T432-F455 HydrophobicContact CG2-CE1 3.56Å; T432-F455 HydrophobicContact CG2-CZ 4.5Å; R453-F455 HydrophobicContact CB-CE2 3.99Å; R453-F455 HydrophobicContact CG-CE2 3.77Å; R453-F455 HydrophobicContact CG-CZ 3.91Å; R453-F455 WeakPolarHBondContact O-CD2 3.12Å; F455-Q500 VanDerWaalsContact O-CA 3.26Å; F455-Q500 WeakPolarHBondContact O-CA 3.46Å; F455-F501 HydrophobicContact CB-CD1 4.11Å; F455-F501 HydrophobicContact CB-CE1 3.62Å; F455-F501 HydrophobicContact CB-CE2 4.07Å; F455-F501 HydrophobicContact CB-CZ 3.59Å; F455-F501 HydrophobicContact CD2-CD2 4.4Å; F455-F501 AromaticContact CD2-CE2 3.72Å; F455-F501 HydrophobicContact CD2-CE2 3.72Å; F455-F501 AromaticContact CD2-CZ 3.91Å; F455-F501 HydrophobicContact CD2-CZ 3.91Å; F455-F501 HydrophobicContact CG-CE1 4.33Å; F455-F501 HydrophobicContact CG-CE2 4.09Å; F455-F501 AromaticContact CG-CZ 3.79Å; F455-F501 HydrophobicContact CG-CZ 3.79Å; F455-F501 PolarHBondContact N-O 3.07Å; F455-F501 PolarHBondContact O-N 3.26Å; F455-W503 HydrophobicContact CD2-CB 4.11Å; F455-W503 HydrophobicContact CE2-CB 3.71Å; F455-W503 HydrophobicContact CE2-CG 4.5Å; F455-M515 HydrophobicContact CD1-SD 4.27Å; F455-M515 HydrophobicContact CD2-CE 4.45Å; F455-M515 HydrophobicContact CD2-SD 4.32Å; F455-M515 HydrophobicContact CE1-CE 4.38Å; F455-M515 HydrophobicContact CE1-SD 3.87Å; F455-M515 HydrophobicContact CE2-CE 3.64Å; F455-M515 HydrophobicContact CE2-SD 3.93Å; F455-M515 HydrophobicContact CG-SD 4.49Å; F455-M515 HydrophobicContact CZ-CE 3.6Å; F455-M515 HydrophobicContact CZ-SD 3.69Å; F455-W530 HydrophobicContact CD1-CH2 4.02Å; F455-W530 HydrophobicContact CD1-CZ2 4.32Å; F455-Y532 HydrophobicContact CD1-CD1 4.46Å; F455-Y532 AromaticContact CE1-CD1 3.79Å; F455-Y532 HydrophobicContact CE1-CD1 3.79Å; F455-Y532 AromaticContact CE1-CE1 3.68Å; F455-Y532 HydrophobicContact CE1-CE1 3.68Å; F455-Y534 HydrophobicContact CE1-CD2 4.32Å; F455-Y534 HydrophobicContact CE1-CG 4.43Å; F455-Y534 HydrophobicContact CZ-CD1 4.06Å; F455-Y534 AromaticContact CZ-CD2 3.73Å; F455-Y534 HydrophobicContact CZ-CD2 3.73Å; F455-Y534 HydrophobicContact CZ-CE2 4.27Å; F455-Y534 AromaticContact CZ-CG 3.63Å; F455-Y534 HydrophobicContact CZ-CG 3.63Å
456	A	97.9	Very high	93.7	Very high	7 Å²	7	52.6 Å²	52.6	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	119.2	174.8	0	0	0	0	0	109	R431 R498 I499	R431-A456 HydrophobicContact CB-CB 4.25Å; R431-A456 PolarHBondContact N-O 3.16Å; R431-A456 PolarHBondContact O-N 3.1Å; A456-R498 HydrophobicContact CB-CG 4.06Å; A456-I499 WeakPolarHBondContact CA-O 3.38Å
457	V	98.6	Very high	94.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.8	-177.6	-171.3	0	0	0	0	108.8	V427 F459 R498 I499 M517 W530	V427-V457 HydrophobicContact CB-CG1 4.49Å; V427-V457 HydrophobicContact CG1-CG1 3.78Å; V427-V457 HydrophobicContact CG2-CG1 4.04Å; V457-F459 HydrophobicContact CB-CE2 3.99Å; V457-F459 HydrophobicContact CG1-CD2 4.21Å; V457-F459 HydrophobicContact CG1-CE2 3.57Å; V457-F459 HydrophobicContact CG1-CZ 3.86Å; V457-R498 WeakPolarHBondContact O-CA 3.5Å; V457-I499 PolarHBondContact N-O 3.36Å; V457-I499 PolarHBondContact O-N 3.44Å; V457-M517 HydrophobicContact CB-CE 3.56Å; V457-M517 HydrophobicContact CG1-CE 3.98Å; V457-M517 HydrophobicContact CG2-CE 3.5Å; V457-W530 HydrophobicContact CG1-CG 4.13Å; V457-W530 HydrophobicContact CG2-CD2 3.99Å; V457-W530 HydrophobicContact CG2-CE3 4.47Å; V457-W530 HydrophobicContact CG2-CG 4.38Å; V457-W530 HydrophobicContact CG2-CH2 4.35Å; V457-W530 HydrophobicContact CG2-CZ2 3.87Å
458	D	98.3	Very high	94.5	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.8	-179.1	-63.7	-8.3	0	0	0	109.3	V427 M428 A429 R431 I494 Y497 R498	V427-D458 CarbonylContact C-O 3.6Å; V427-D458 WeakPolarHBondContact CA-O 3.14Å; M428-D458 HydrophobicContact CB-CB 4.17Å; M428-D458 PolarHBondContact N-O 3.3Å; A429-D458 PolarHBondContact O-N 3.14Å; R431-D458 IonicContact CZ-OD2 3.47Å; R431-D458 IonicContact NH1-OD1 3.54Å; R431-D458 IonicContact NH1-OD2 2.68Å; R431-D458 PolarHBondContact NH1-OD2 2.79Å; R431-D458 IonicContact NH2-OD2 3.58Å; D458-I494 HydrophobicContact CB-CD1 3.84Å; D458-Y497 CarbonylContact C-O 3.46Å; D458-R498 WeakPolarHBondContact OD1-CB 3.28Å; D458-R498 IonicContact OD1-CZ 3.6Å; D458-R498 VanDerWaalsContact OD1-CZ 3.29Å; D458-R498 IonicContact OD1-NE 2.62Å; D458-R498 PolarHBondContact OD1-NE 3.02Å; D458-R498 IonicContact OD1-NH2 2.8Å; D458-R498 PolarHBondContact OD1-NH2 2.69Å; D458-R498 IonicContact OD2-CZ 3.17Å; D458-R498 IonicContact OD2-NH2 3.17Å; D458-R498 PolarHBondContact OD2-NH2 2.65Å
459	F	98.5	Very high	94.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.2	174.3	-69.1	-92.7	0	0	0	110.6	A425 R426 V427 V457 L464 G496 Y497 I499 M517 L519 W530	A425-F459 HydrophobicContact CB-CB 4.41Å; R426-F459 VanDerWaalsContact O-CA 3.28Å; R426-F459 WeakPolarHBondContact O-CA 2.98Å; V427-F459 HydrophobicContact CG2-CD1 4.14Å; V427-F459 HydrophobicContact CG2-CE1 3.55Å; V427-F459 HydrophobicContact CG2-CZ 3.94Å; V457-F459 HydrophobicContact CB-CE2 3.99Å; V457-F459 HydrophobicContact CG1-CD2 4.21Å; V457-F459 HydrophobicContact CG1-CE2 3.57Å; V457-F459 HydrophobicContact CG1-CZ 3.86Å; F459-L464 HydrophobicContact CB-CD1 4.04Å; F459-L464 WeakPolarHBondContact O-CD1 3.47Å; F459-G496 VanDerWaalsContact O-CA 3.26Å; F459-G496 WeakPolarHBondContact O-CA 3.38Å; F459-Y497 PolarHBondContact N-O 2.78Å; F459-Y497 PolarHBondContact O-N 2.85Å; F459-I499 HydrophobicContact CD2-CG1 4.08Å; F459-I499 HydrophobicContact CE2-CG1 3.98Å; F459-M517 HydrophobicContact CE2-CE 3.71Å; F459-M517 HydrophobicContact CZ-CE 3.97Å; F459-L519 HydrophobicContact CB-CD1 3.92Å; F459-L519 HydrophobicContact CD1-CD1 4.12Å; F459-L519 HydrophobicContact CD1-CG 4.37Å; F459-L519 HydrophobicContact CD2-CD1 3.85Å; F459-L519 HydrophobicContact CD2-CD2 4.28Å; F459-L519 HydrophobicContact CD2-CG 4.19Å; F459-L519 HydrophobicContact CE1-CG 4.38Å; F459-L519 HydrophobicContact CE2-CD1 4.36Å; F459-L519 HydrophobicContact CE2-CD2 4.09Å; F459-L519 HydrophobicContact CE2-CG 4.2Å; F459-L519 HydrophobicContact CG-CD1 3.7Å; F459-L519 HydrophobicContact CG-CG 4.26Å; F459-L519 HydrophobicContact CZ-CD2 4.48Å; F459-L519 HydrophobicContact CZ-CG 4.3Å; F459-W530 HydrophobicContact CZ-CB 4.41Å
460	V	97.5	Very high	95.1	Very high	15 Å²	15	43.5 Å²	43.5	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.8	179.4	-61.5	0	0	0	0	111.4	A425 R426 M428 I494	A425-V460 WeakPolarHBondContact CA-O 3.44Å; R426-V460 HydrophobicContact CG-CG2 3.8Å; R426-V460 PolarHBondContact N-O 2.78Å; R426-V460 PolarHBondContact O-N 3.16Å; M428-V460 HydrophobicContact CB-CG1 3.97Å; M428-V460 HydrophobicContact CB-CG2 3.9Å; M428-V460 HydrophobicContact CG-CG1 4.38Å; M428-V460 HydrophobicContact CG-CG2 4.43Å; M428-V460 HydrophobicContact SD-CG1 3.73Å; V460-I494 HydrophobicContact CG1-CB 4.29Å; V460-I494 HydrophobicContact CG1-CD1 4.06Å; V460-I494 HydrophobicContact CG1-CG1 4.21Å
461	G	95.4	Very high	95.2	Very high	45 Å²	45	38.2 Å²	38.2	46%	0.464	23%	0.233	S	C	.	.	S	Bend	trans	70.6	-165.7	180	0	0	0	0	0	113.2	L464	G461-L464 WeakPolarHBondContact O-CD1 3.44Å; G461-L464 WeakPolarHBondContact O-CG 3.26Å
462	G	92.7	Very high	95.4	Very high	47 Å²	47	37.4 Å²	37.4	49%	0.485	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-154.9	-168.7	0	0	0	0	0	112
463	D	89.5	Confident	95.4	Very high	104 Å²	104	41.5 Å²	41.5	56%	0.556	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	35.3	-178.6	-160.5	15.9	0	0	0	112.9	K465 A466 A467	D463-K465 PolarHBondContact O-N 2.97Å; D463-A466 VanDerWaalsContact CG-CB 3.47Å; D463-A466 PolarHBondContact O-N 2.88Å; D463-A466 VanDerWaalsContact O-N 3.15Å; D463-A466 WeakPolarHBondContact OD1-CB 3.48Å; D463-A466 WeakPolarHBondContact OD2-CB 3.02Å; D463-A467 WeakPolarHBondContact O-CB 3.26Å; D463-A467 PolarHBondContact O-N 2.88Å
464	L	94.7	Very high	95.5	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-56.5	-38.4	-176.6	-70.9	172.3	0	0	0	112.5	A425 F459 G461 A467 A468 I472 Y497 L519 I526	A425-L464 HydrophobicContact CB-CD1 3.7Å; A425-L464 HydrophobicContact CB-CD2 3.79Å; A425-L464 HydrophobicContact CB-CG 3.69Å; F459-L464 HydrophobicContact CB-CD1 4.04Å; F459-L464 WeakPolarHBondContact O-CD1 3.47Å; G461-L464 WeakPolarHBondContact O-CD1 3.44Å; G461-L464 WeakPolarHBondContact O-CG 3.26Å; L464-A467 PolarHBondContact O-N 2.97Å; L464-A468 WeakPolarHBondContact O-CB 3.44Å; L464-A468 PolarHBondContact O-N 3.29Å; L464-I472 HydrophobicContact CD2-CD1 4.19Å; L464-Y497 HydrophobicContact CB-CD2 3.87Å; L464-Y497 HydrophobicContact CB-CE2 3.93Å; L464-Y497 HydrophobicContact CD1-CD2 4.15Å; L464-Y497 HydrophobicContact CD2-CD2 4.46Å; L464-Y497 HydrophobicContact CG-CD2 4.39Å; L464-L519 HydrophobicContact CD2-CD1 3.72Å; L464-I526 HydrophobicContact CD2-CD1 4.06Å
465	K	90.8	Very high	95.6	Very high	118 Å²	118	40.3 Å²	40.3	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-42.2	177.5	-80.4	-176.3	165.3	162.9	0	113.1	D463 P469 D495	D463-K465 PolarHBondContact O-N 2.97Å; K465-P469 WeakPolarHBondContact O-CD 3.33Å; K465-D495 VanDerWaalsContact CE-CG 3.42Å; K465-D495 WeakPolarHBondContact CE-OD1 3.32Å; K465-D495 VanDerWaalsContact CE-OD2 3.28Å; K465-D495 WeakPolarHBondContact CE-OD2 3.43Å; K465-D495 IonicContact NZ-OD1 2.67Å; K465-D495 PolarHBondContact NZ-OD1 3.18Å; K465-D495 IonicContact NZ-OD2 2.75Å; K465-D495 PolarHBondContact NZ-OD2 3.46Å
466	A	91.9	Very high	95.6	Very high	36 Å²	36	42 Å²	42	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-81.3	-22	177.4	0	0	0	0	0	112.5	D463 K470	D463-A466 VanDerWaalsContact CG-CB 3.47Å; D463-A466 PolarHBondContact O-N 2.88Å; D463-A466 VanDerWaalsContact O-N 3.15Å; D463-A466 WeakPolarHBondContact OD1-CB 3.48Å; D463-A466 WeakPolarHBondContact OD2-CB 3.02Å; A466-K470 WeakPolarHBondContact O-CD 3.34Å; A466-K470 VanDerWaalsContact O-CE 3.3Å; A466-K470 WeakPolarHBondContact O-CE 3.5Å
467	A	93.6	Very high	95.6	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-72.5	-34.8	172.4	0	0	0	0	0	112.4	D463 L464 K470 G471 I472 C521 I526	D463-A467 WeakPolarHBondContact O-CB 3.26Å; D463-A467 PolarHBondContact O-N 2.88Å; L464-A467 PolarHBondContact O-N 2.97Å; A467-K470 CarbonylContact O-C 3.44Å; A467-K470 WeakPolarHBondContact O-CA 3.41Å; A467-K470 WeakPolarHBondContact O-CB 2.95Å; A467-K470 PolarHBondContact O-N 2.67Å; A467-G471 PolarHBondContact O-N 2.81Å; A467-I472 HydrophobicContact CB-CD1 4.5Å; A467-I472 HydrophobicContact CB-CG1 4.04Å; A467-C521 HydrophobicContact CB-CB 4.06Å; A467-I526 HydrophobicContact CB-CD1 3.61Å
468	A	93.2	Very high	95.6	Very high	31 Å²	31	47.2 Å²	47.2	26%	0.256	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-57.6	-47.3	-174.1	0	0	0	0	0	114.8	L464 K470 G471 I472 Y497	L464-A468 WeakPolarHBondContact O-CB 3.44Å; L464-A468 PolarHBondContact O-N 3.29Å; A468-K470 PolarHBondContact O-N 3.15Å; A468-G471 PolarHBondContact O-N 3.44Å; A468-G471 VanDerWaalsContact O-N 3.16Å; A468-I472 HydrophobicContact CB-CD1 4.01Å; A468-Y497 HydrophobicContact CB-CE1 4.3Å; A468-Y497 HydrophobicContact CB-CE2 4.23Å; A468-Y497 WeakPolarHBondContact CB-OH 3.47Å
469	P	94.1	Very high	95.6	Very high	115 Å²	115	50.5 Å²	50.5	75%	0.747	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63.7	-24.1	174.2	-22.1	33	0	0	0	113.8	K465	K465-P469 WeakPolarHBondContact O-CD 3.33Å
470	K	95.8	Very high	95.6	Very high	121 Å²	121	52.5 Å²	52.5	53%	0.526	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-88	-8.7	179.9	-57	173	-170.1	167.8	0	112.7	A466 A467 A468 C521 Q522	A466-K470 WeakPolarHBondContact O-CD 3.34Å; A466-K470 VanDerWaalsContact O-CE 3.3Å; A466-K470 WeakPolarHBondContact O-CE 3.5Å; A467-K470 CarbonylContact O-C 3.44Å; A467-K470 WeakPolarHBondContact O-CA 3.41Å; A467-K470 WeakPolarHBondContact O-CB 2.95Å; A467-K470 PolarHBondContact O-N 2.67Å; A468-K470 PolarHBondContact O-N 3.15Å; K470-C521 VanDerWaalsContact CB-SG 3.59Å; K470-Q522 HydrophobicContact CB-CG 4.36Å; K470-Q522 PolarHBondContact O-NE2 3.12Å
471	G	95.2	Very high	95.6	Very high	38 Å²	38	52.8 Å²	52.8	39%	0.392	33%	0.333	S	S	.	.			trans	94.4	115.8	-176	0	0	0	0	0	112.6	A467 A468 C521	A467-G471 PolarHBondContact O-N 2.81Å; A468-G471 PolarHBondContact O-N 3.44Å; A468-G471 VanDerWaalsContact O-N 3.16Å; G471-C521 PolarHBondContact O-SG 2.84Å
472	I	97.4	Very high	95.8	Very high	20 Å²	20	54 Å²	54	10%	0.103	33%	0.327	C	S	.	.			trans	-92.3	132.3	166.8	-65.1	169.7	0	0	0	107.7	L464 A467 A468 I488 Y497 L519 I526	L464-I472 HydrophobicContact CD2-CD1 4.19Å; A467-I472 HydrophobicContact CB-CD1 4.5Å; A467-I472 HydrophobicContact CB-CG1 4.04Å; A468-I472 HydrophobicContact CB-CD1 4.01Å; I472-I488 HydrophobicContact CB-CD1 4.45Å; I472-I488 HydrophobicContact CG2-CD1 4.4Å; I472-I488 WeakPolarHBondContact O-CD1 3.42Å; I472-Y497 HydrophobicContact CD1-CD1 4.34Å; I472-Y497 HydrophobicContact CD1-CD2 3.97Å; I472-Y497 HydrophobicContact CD1-CE1 4.33Å; I472-Y497 HydrophobicContact CD1-CE2 3.96Å; I472-Y497 HydrophobicContact CD1-CG 4.17Å; I472-L519 HydrophobicContact CG2-CB 4.31Å; I472-L519 HydrophobicContact CG2-CD1 4.18Å; I472-L519 HydrophobicContact CG2-CD2 4.26Å; I472-L519 HydrophobicContact CG2-CG 4.48Å; I472-I526 HydrophobicContact CG1-CD1 4.04Å; I472-I526 HydrophobicContact CG2-CD1 4.42Å
473	E	97.6	Very high	96	Very high	86 Å²	86	53.2 Å²	53.2	40%	0.402	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.6	177.6	-176.1	-166.4	173.2	0	0	110	V475 R520	E473-V475 PolarHBondContact O-N 2.99Å; E473-R520 PolarHBondContact N-O 2.9Å; E473-R520 PolarHBondContact O-N 2.8Å; E473-R520 IonicContact OE1-CZ 2.68Å; E473-R520 IonicContact OE1-NH2 3.52Å; E473-R520 PolarHBondContact OE1-NH2 3.03Å; E473-R520 IonicContact OE2-CZ 3.98Å; E473-R520 IonicContact OE2-NE 3.08Å; E473-R520 PolarHBondContact OE2-NE 3.39Å; E473-R520 IonicContact OE2-NH2 3.3Å; E473-R520 PolarHBondContact OE2-NH2 2.9Å
474	P	98.2	Very high	96.4	Very high	21 Å²	21	52.4 Å²	52.4	14%	0.136	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	119.3	170.1	30.5	-33.3	0	0	0	110.4	I476 I486 I488 I499 M517 L519	P474-I476 HydrophobicContact CB-CG1 4.43Å; P474-I486 HydrophobicContact CG-CG2 3.65Å; P474-I488 HydrophobicContact CG-CD1 4.34Å; P474-I488 HydrophobicContact CG-CG1 4.37Å; P474-I499 HydrophobicContact CB-CD1 4.35Å; P474-I499 HydrophobicContact CB-CG1 4.27Å; P474-I499 HydrophobicContact CB-CG2 3.59Å; P474-I499 HydrophobicContact CG-CG2 3.98Å; P474-M517 HydrophobicContact CB-SD 4.27Å; P474-L519 HydrophobicContact CB-CD2 4.25Å
475	V	98.4	Very high	96.3	Very high	28 Å²	28	55.9 Å²	55.9	17%	0.17	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	102	174.5	-178.4	0	0	0	0	108.6	E473 M517 Y518 R520	E473-V475 PolarHBondContact O-N 2.99Å; V475-M517 VanDerWaalsContact O-CA 3.3Å; V475-M517 WeakPolarHBondContact O-CA 3.27Å; V475-Y518 HydrophobicContact CB-CD1 3.99Å; V475-Y518 HydrophobicContact CB-CE1 3.5Å; V475-Y518 VanDerWaalsContact CB-CE1 3.5Å; V475-Y518 HydrophobicContact CB-CE2 4.37Å; V475-Y518 HydrophobicContact CG1-CD1 4.35Å; V475-Y518 HydrophobicContact CG1-CE1 3.52Å; V475-Y518 HydrophobicContact CG2-CE1 4.16Å; V475-Y518 HydrophobicContact CG2-CE2 4.21Å; V475-Y518 PolarHBondContact N-O 2.84Å; V475-Y518 PolarHBondContact O-N 2.95Å; V475-R520 HydrophobicContact CG2-CB 4.05Å
476	I	98.6	Very high	96.6	Very high	36 Å²	36	54.3 Å²	54.3	19%	0.185	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.9	-176.3	-58	169.2	0	0	0	110	P474 L478 A483 I486 F501 R516 M517	P474-I476 HydrophobicContact CB-CG1 4.43Å; I476-L478 HydrophobicContact CG2-CD2 4.1Å; I476-L478 HydrophobicContact CG2-CG 4.17Å; I476-A483 HydrophobicContact CG2-CB 4.2Å; I476-I486 HydrophobicContact CD1-CD1 4.06Å; I476-I486 HydrophobicContact CD1-CG1 4.19Å; I476-I486 HydrophobicContact CD1-CG2 4.33Å; I476-F501 HydrophobicContact CD1-CB 4.08Å; I476-F501 HydrophobicContact CD1-CD1 3.67Å; I476-F501 HydrophobicContact CD1-CE1 4.23Å; I476-F501 HydrophobicContact CD1-CG 3.85Å; I476-R516 CarbonylContact C-O 3.36Å; I476-R516 WeakPolarHBondContact CA-O 3.48Å; I476-M517 HydrophobicContact CD1-SD 4.15Å; I476-M517 HydrophobicContact CG1-CB 4.36Å; I476-M517 HydrophobicContact CG1-CG 3.84Å; I476-M517 HydrophobicContact CG1-SD 3.79Å
477	T	98.5	Very high	96.8	Very high	79 Å²	79	55.5 Å²	55.5	49%	0.485	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.9	173.6	-54.4	0	0	0	0	109.2	R516	T477-R516 PolarHBondContact N-O 2.96Å; T477-R516 PolarHBondContact O-N 3.04Å
478	L	98.5	Very high	97	Very high	36 Å²	36	58.5 Å²	58.5	19%	0.188	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.5	-178.1	-56.1	173	0	0	0	109.3	I476 S480 A483 F501 M515	I476-L478 HydrophobicContact CG2-CD2 4.1Å; I476-L478 HydrophobicContact CG2-CG 4.17Å; L478-S480 VanDerWaalsContact C-N 3.32Å; L478-A483 HydrophobicContact CD1-CB 3.86Å; L478-F501 HydrophobicContact CD2-CE2 4.47Å; L478-M515 HydrophobicContact CD2-CB 3.95Å; L478-M515 HydrophobicContact CD2-CE 4.21Å; L478-M515 HydrophobicContact CD2-CG 3.6Å; L478-M515 HydrophobicContact CD2-SD 4.15Å
479	S	98.1	Very high	97.1	Very high	73 Å²	73	59.7 Å²	59.7	51%	0.51	34%	0.335	S	S	.	.	S	Bend	trans	-71	-28.1	172.9	66.9	0	0	0	0	112.9	D514	S479-D514 PolarHBondContact N-O 3.47Å; S479-D514 PolarHBondContact OG-N 2.84Å
480	S	98	Very high	97.2	Very high	42 Å²	42	59.6 Å²	59.6	29%	0.294	32%	0.321	S	S	.	.	S	Bend	trans	-156.8	166.4	173.6	73.6	0	0	0	0	111.8	L478 W503 V513	L478-S480 VanDerWaalsContact C-N 3.32Å; S480-W503 PolarHBondContact O-NE1 2.95Å; S480-V513 WeakPolarHBondContact O-CG1 3.05Å; S480-V513 WeakPolarHBondContact OG-CG2 3.46Å
481	G	97.9	Very high	97.2	Very high	20 Å²	20	55.3 Å²	55.3	21%	0.206	30%	0.304	C	S	.	.	S	Bend	trans	75.3	-171.8	-171.5	0	0	0	0	0	113	Y504 T506	G481-Y504 WeakPolarHBondContact CA-O 3.26Å; G481-T506 WeakPolarHBondContact CA-OG1 3.23Å; G481-T506 PolarHBondContact N-OG1 3.02Å
482	E	98	Very high	97.2	Very high	72 Å²	72	60 Å²	60	34%	0.336	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.4	-178.9	60.4	-174.9	174.9	0	0	110.4	K484 W503 Y504 T506	E482-K484 HydrophobicContact CG-CD 4.43Å; E482-K484 HydrophobicContact CG-CG 4.47Å; E482-K484 VanDerWaalsContact OE1-CE 3.3Å; E482-K484 WeakPolarHBondContact OE1-CE 3.4Å; E482-K484 IonicContact OE1-NZ 2.86Å; E482-K484 PolarHBondContact OE1-NZ 3.2Å; E482-K484 WeakPolarHBondContact OE2-CE 3.41Å; E482-K484 IonicContact OE2-NZ 3.83Å; E482-K484 PolarHBondContact OE2-NZ 3.35Å; E482-W503 WeakPolarHBondContact O-CA 3.38Å; E482-Y504 PolarHBondContact N-O 3.25Å; E482-Y504 PolarHBondContact O-N 2.87Å; E482-T506 HydrophobicContact CB-CG2 4.23Å; E482-T506 HydrophobicContact CG-CG2 4.03Å
483	A	98.2	Very high	97.2	Very high	30 Å²	30	64.3 Å²	64.3	25%	0.248	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.5	170.9	0	0	0	0	0	109.3	I476 L478 I486 F501 D502	I476-A483 HydrophobicContact CG2-CB 4.2Å; L478-A483 HydrophobicContact CD1-CB 3.86Å; A483-I486 HydrophobicContact CB-CD1 4.49Å; A483-F501 HydrophobicContact CB-CD2 3.83Å; A483-F501 HydrophobicContact CB-CE2 4.47Å; A483-F501 HydrophobicContact CB-CG 4.41Å; A483-D502 WeakPolarHBondContact CA-O 3.26Å
484	K	96.8	Very high	97	Very high	86 Å²	86	62.4 Å²	62.4	37%	0.374	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	174.5	175.6	-66.4	179.4	172.9	160.7	0	109.9	E482 I486 D502 Y504	E482-K484 HydrophobicContact CG-CD 4.43Å; E482-K484 HydrophobicContact CG-CG 4.47Å; E482-K484 VanDerWaalsContact OE1-CE 3.3Å; E482-K484 WeakPolarHBondContact OE1-CE 3.4Å; E482-K484 IonicContact OE1-NZ 2.86Å; E482-K484 PolarHBondContact OE1-NZ 3.2Å; E482-K484 WeakPolarHBondContact OE2-CE 3.41Å; E482-K484 IonicContact OE2-NZ 3.83Å; E482-K484 PolarHBondContact OE2-NZ 3.35Å; K484-I486 VanDerWaalsContact C-N 3.26Å; K484-I486 PolarHBondContact O-N 3.28Å; K484-D502 PolarHBondContact N-O 3.4Å; K484-D502 PolarHBondContact O-N 2.91Å; K484-Y504 HydrophobicContact CB-CD2 4.06Å; K484-Y504 HydrophobicContact CB-CE2 3.84Å; K484-Y504 HydrophobicContact CD-CD2 3.98Å; K484-Y504 HydrophobicContact CD-CE2 4.05Å; K484-Y504 HydrophobicContact CG-CD2 4.26Å; K484-Y504 HydrophobicContact CG-CE2 4.4Å
485	Q	94.1	Very high	96.9	Very high	80 Å²	80	64.9 Å²	64.9	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.4	49.3	-178.8	-65.8	83.7	-2.2	0	0	111.8	E487 Y504	Q485-E487 PolarHBondContact O-N 2.85Å; Q485-Y504 PolarHBondContact NE2-OH 2.71Å; Q485-Y504 VanDerWaalsContact OE1-CE2 3.28Å; Q485-Y504 PolarHBondContact OE1-OH 2.9Å
486	I	96.9	Very high	96.9	Very high	85 Å²	85	63.6 Å²	63.6	44%	0.436	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.5	-179.9	-57.9	167.8	0	0	0	108.2	P474 I476 A483 K484 Q500 F501	P474-I486 HydrophobicContact CG-CG2 3.65Å; I476-I486 HydrophobicContact CD1-CD1 4.06Å; I476-I486 HydrophobicContact CD1-CG1 4.19Å; I476-I486 HydrophobicContact CD1-CG2 4.33Å; A483-I486 HydrophobicContact CB-CD1 4.49Å; K484-I486 VanDerWaalsContact C-N 3.26Å; K484-I486 PolarHBondContact O-N 3.28Å; I486-Q500 CarbonylContact C-O 3.57Å; I486-Q500 VanDerWaalsContact CA-O 3.25Å; I486-Q500 WeakPolarHBondContact CA-O 3.48Å; I486-F501 HydrophobicContact CG1-CB 3.88Å
487	E	96.3	Very high	96.8	Very high	61 Å²	61	63.5 Å²	63.5	29%	0.285	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.3	-179.5	-65.7	178.9	167.2	0	0	110.5	Q485 L489 I499 Q500	Q485-E487 PolarHBondContact O-N 2.85Å; E487-L489 HydrophobicContact CB-CD2 4.23Å; E487-L489 HydrophobicContact CB-CG 4.21Å; E487-I499 WeakPolarHBondContact O-CA 3.37Å; E487-Q500 HydrophobicContact CB-CB 4.35Å; E487-Q500 PolarHBondContact N-O 2.94Å; E487-Q500 PolarHBondContact O-N 2.91Å; E487-Q500 PolarHBondContact OE2-NE2 3.31Å
488	I	96.6	Very high	96.8	Very high	69 Å²	69	61.9 Å²	61.9	35%	0.354	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	107.1	174.4	-50.3	179.8	0	0	0	106.5	I472 P474 Y497 I499	I472-I488 HydrophobicContact CB-CD1 4.45Å; I472-I488 HydrophobicContact CG2-CD1 4.4Å; I472-I488 WeakPolarHBondContact O-CD1 3.42Å; P474-I488 HydrophobicContact CG-CD1 4.34Å; P474-I488 HydrophobicContact CG-CG1 4.37Å; I488-Y497 HydrophobicContact CG2-CD1 3.88Å; I488-I499 HydrophobicContact CB-CD1 4.26Å; I488-I499 HydrophobicContact CG1-CD1 3.98Å; I488-I499 HydrophobicContact CG2-CD1 3.86Å
489	L	95.6	Very high	96.8	Very high	56 Å²	56	60.2 Å²	60.2	29%	0.293	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.1	-172.3	-56.6	174.5	0	0	0	109.3	E439 E487 Y497 R498	E439-L489 HydrophobicContact CG-CD1 4.2Å; E487-L489 HydrophobicContact CB-CD2 4.23Å; E487-L489 HydrophobicContact CB-CG 4.21Å; L489-Y497 CarbonylContact O-C 3.53Å; L489-Y497 VanDerWaalsContact O-CA 3.32Å; L489-Y497 WeakPolarHBondContact O-CA 3.36Å; L489-R498 HydrophobicContact CB-CB 4.3Å; L489-R498 PolarHBondContact N-O 3.02Å; L489-R498 PolarHBondContact O-N 2.9Å
490	Y	96.1	Very high	96.8	Very high	112 Å²	112	56.7 Å²	56.7	44%	0.439	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.7	170.3	178.1	-112.8	0	0	0	110	E492 D495 G496 Y497	Y490-E492 HydrophobicContact CD1-CB 4.5Å; Y490-E492 HydrophobicContact CE1-CB 3.83Å; Y490-E492 HydrophobicContact CE1-CG 4.38Å; Y490-D495 PolarHBondContact OH-OD1 2.85Å; Y490-D495 VanDerWaalsContact OH-OD1 3.05Å; Y490-G496 VanDerWaalsContact CD2-O 3.28Å; Y490-G496 WeakPolarHBondContact CD2-O 3.42Å; Y490-Y497 HydrophobicContact CD2-CD1 4.43Å; Y490-Y497 AromaticContact CD2-CE1 3.96Å; Y490-Y497 HydrophobicContact CD2-CE1 3.96Å; Y490-Y497 HydrophobicContact CD2-CE2 4.09Å; Y490-Y497 AromaticContact CD2-CZ 3.74Å; Y490-Y497 HydrophobicContact CG-CE1 4.33Å
491	I	96.2	Very high	96.8	Very high	32 Å²	32	54.7 Å²	54.7	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	100.4	178.6	-58	179.4	0	0	0	107.9	I494 D495 G496 R498	I491-I494 HydrophobicContact CB-CD1 4.05Å; I491-I494 HydrophobicContact CB-CG1 3.77Å; I491-I494 HydrophobicContact CD1-CD1 4.12Å; I491-I494 HydrophobicContact CG2-CD1 4.1Å; I491-I494 HydrophobicContact CG2-CG1 3.69Å; I491-I494 HydrophobicContact CG2-CG2 4.49Å; I491-I494 PolarHBondContact O-N 2.72Å; I491-D495 PolarHBondContact O-N 3.38Å; I491-D495 VanDerWaalsContact O-N 3.13Å; I491-G496 PolarHBondContact N-O 3.04Å; I491-G496 PolarHBondContact O-N 3.32Å; I491-R498 HydrophobicContact CD1-CB 3.49Å; I491-R498 VanDerWaalsContact CD1-CB 3.49Å; I491-R498 HydrophobicContact CD1-CG 4.49Å; I491-R498 HydrophobicContact CG1-CB 4.18Å
492	E	96	Very high	96.8	Very high	135 Å²	135	53.8 Å²	53.8	63%	0.631	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-56.4	-44.3	-178	-175.7	-83.1	162	0	0	113.3	Y490 I494 D495	Y490-E492 HydrophobicContact CD1-CB 4.5Å; Y490-E492 HydrophobicContact CE1-CB 3.83Å; Y490-E492 HydrophobicContact CE1-CG 4.38Å; E492-I494 VanDerWaalsContact C-N 3.26Å; E492-I494 PolarHBondContact O-N 3.29Å; E492-I494 VanDerWaalsContact O-N 3.14Å; E492-D495 PolarHBondContact O-N 3.14Å; E492-D495 VanDerWaalsContact O-N 3.07Å
493	P	96.1	Very high	96.8	Very high	112 Å²	112	50.5 Å²	50.5	73%	0.727	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-62	-24.5	-178.8	-29.5	36.2	0	0	0	116.4
494	I	94.8	Very high	96.8	Very high	45 Å²	45	50.2 Å²	50.2	23%	0.231	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-108.4	2	178.1	70.1	174.8	0	0	0	112.4	M428 D458 V460 I491 E492 G496	M428-I494 HydrophobicContact CE-CB 4.49Å; M428-I494 HydrophobicContact CE-CG2 4Å; M428-I494 HydrophobicContact SD-CB 3.93Å; M428-I494 HydrophobicContact SD-CD1 3.97Å; M428-I494 HydrophobicContact SD-CG2 3.89Å; D458-I494 HydrophobicContact CB-CD1 3.84Å; V460-I494 HydrophobicContact CG1-CB 4.29Å; V460-I494 HydrophobicContact CG1-CD1 4.06Å; V460-I494 HydrophobicContact CG1-CG1 4.21Å; I491-I494 HydrophobicContact CB-CD1 4.05Å; I491-I494 HydrophobicContact CB-CG1 3.77Å; I491-I494 HydrophobicContact CD1-CD1 4.12Å; I491-I494 HydrophobicContact CG2-CD1 4.1Å; I491-I494 HydrophobicContact CG2-CG1 3.69Å; I491-I494 HydrophobicContact CG2-CG2 4.49Å; I491-I494 PolarHBondContact O-N 2.72Å; E492-I494 VanDerWaalsContact C-N 3.26Å; E492-I494 PolarHBondContact O-N 3.29Å; E492-I494 VanDerWaalsContact O-N 3.14Å; I494-G496 VanDerWaalsContact C-N 3.26Å; I494-G496 PolarHBondContact O-N 3.34Å
495	D	95.6	Very high	96.8	Very high	74 Å²	74	47.8 Å²	47.8	40%	0.396	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	46.8	-175.1	-162.3	36.1	0	0	0	113.2	K465 Y490 I491 E492	K465-D495 VanDerWaalsContact CE-CG 3.42Å; K465-D495 WeakPolarHBondContact CE-OD1 3.32Å; K465-D495 VanDerWaalsContact CE-OD2 3.28Å; K465-D495 WeakPolarHBondContact CE-OD2 3.43Å; K465-D495 IonicContact NZ-OD1 2.67Å; K465-D495 PolarHBondContact NZ-OD1 3.18Å; K465-D495 IonicContact NZ-OD2 2.75Å; K465-D495 PolarHBondContact NZ-OD2 3.46Å; Y490-D495 PolarHBondContact OH-OD1 2.85Å; Y490-D495 VanDerWaalsContact OH-OD1 3.05Å; I491-D495 PolarHBondContact O-N 3.38Å; I491-D495 VanDerWaalsContact O-N 3.13Å; E492-D495 PolarHBondContact O-N 3.14Å; E492-D495 VanDerWaalsContact O-N 3.07Å
496	G	97.5	Very high	97	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	-176	-167.8	0	0	0	0	0	113.6	F459 Y490 I491 I494	F459-G496 VanDerWaalsContact O-CA 3.26Å; F459-G496 WeakPolarHBondContact O-CA 3.38Å; Y490-G496 VanDerWaalsContact CD2-O 3.28Å; Y490-G496 WeakPolarHBondContact CD2-O 3.42Å; I491-G496 PolarHBondContact N-O 3.04Å; I491-G496 PolarHBondContact O-N 3.32Å; I494-G496 VanDerWaalsContact C-N 3.26Å; I494-G496 PolarHBondContact O-N 3.34Å
497	Y	98.1	Very high	96.9	Very high	34 Å²	34	47.1 Å²	47.1	13%	0.133	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.2	-178.6	-69.5	-90.6	0	0	0	110.9	D458 F459 L464 A468 I472 I488 L489 Y490	D458-Y497 CarbonylContact C-O 3.46Å; F459-Y497 PolarHBondContact N-O 2.78Å; F459-Y497 PolarHBondContact O-N 2.85Å; L464-Y497 HydrophobicContact CB-CD2 3.87Å; L464-Y497 HydrophobicContact CB-CE2 3.93Å; L464-Y497 HydrophobicContact CD1-CD2 4.15Å; L464-Y497 HydrophobicContact CD2-CD2 4.46Å; L464-Y497 HydrophobicContact CG-CD2 4.39Å; A468-Y497 HydrophobicContact CB-CE1 4.3Å; A468-Y497 HydrophobicContact CB-CE2 4.23Å; A468-Y497 WeakPolarHBondContact CB-OH 3.47Å; I472-Y497 HydrophobicContact CD1-CD1 4.34Å; I472-Y497 HydrophobicContact CD1-CD2 3.97Å; I472-Y497 HydrophobicContact CD1-CE1 4.33Å; I472-Y497 HydrophobicContact CD1-CE2 3.96Å; I472-Y497 HydrophobicContact CD1-CG 4.17Å; I488-Y497 HydrophobicContact CG2-CD1 3.88Å; L489-Y497 CarbonylContact O-C 3.53Å; L489-Y497 VanDerWaalsContact O-CA 3.32Å; L489-Y497 WeakPolarHBondContact O-CA 3.36Å; Y490-Y497 HydrophobicContact CD2-CD1 4.43Å; Y490-Y497 AromaticContact CD2-CE1 3.96Å; Y490-Y497 HydrophobicContact CD2-CE1 3.96Å; Y490-Y497 HydrophobicContact CD2-CE2 4.09Å; Y490-Y497 AromaticContact CD2-CZ 3.74Å; Y490-Y497 HydrophobicContact CG-CE1 4.33Å
498	R	97.9	Very high	97	Very high	46 Å²	46	49.9 Å²	49.9	17%	0.174	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.3	166	169.8	169.5	-66.8	165	12.5	109.4	R431 A456 V457 D458 L489 I491	R431-R498 VanDerWaalsContact NH1-NH2 3.15Å; A456-R498 HydrophobicContact CB-CG 4.06Å; V457-R498 WeakPolarHBondContact O-CA 3.5Å; D458-R498 WeakPolarHBondContact OD1-CB 3.28Å; D458-R498 IonicContact OD1-CZ 3.6Å; D458-R498 VanDerWaalsContact OD1-CZ 3.29Å; D458-R498 IonicContact OD1-NE 2.62Å; D458-R498 PolarHBondContact OD1-NE 3.02Å; D458-R498 IonicContact OD1-NH2 2.8Å; D458-R498 PolarHBondContact OD1-NH2 2.69Å; D458-R498 IonicContact OD2-CZ 3.17Å; D458-R498 IonicContact OD2-NH2 3.17Å; D458-R498 PolarHBondContact OD2-NH2 2.65Å; L489-R498 HydrophobicContact CB-CB 4.3Å; L489-R498 PolarHBondContact N-O 3.02Å; L489-R498 PolarHBondContact O-N 2.9Å; I491-R498 HydrophobicContact CD1-CB 3.49Å; I491-R498 VanDerWaalsContact CD1-CB 3.49Å; I491-R498 HydrophobicContact CD1-CG 4.49Å; I491-R498 HydrophobicContact CG1-CB 4.18Å
499	I	98.2	Very high	96.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121	161.8	-49.6	-50.7	0	0	0	107.9	A456 V457 F459 P474 E487 I488 M517 L519	A456-I499 WeakPolarHBondContact CA-O 3.38Å; V457-I499 PolarHBondContact N-O 3.36Å; V457-I499 PolarHBondContact O-N 3.44Å; F459-I499 HydrophobicContact CD2-CG1 4.08Å; F459-I499 HydrophobicContact CE2-CG1 3.98Å; P474-I499 HydrophobicContact CB-CD1 4.35Å; P474-I499 HydrophobicContact CB-CG1 4.27Å; P474-I499 HydrophobicContact CB-CG2 3.59Å; P474-I499 HydrophobicContact CG-CG2 3.98Å; E487-I499 WeakPolarHBondContact O-CA 3.37Å; I488-I499 HydrophobicContact CB-CD1 4.26Å; I488-I499 HydrophobicContact CG1-CD1 3.98Å; I488-I499 HydrophobicContact CG2-CD1 3.86Å; I499-M517 HydrophobicContact CB-CE 4.13Å; I499-M517 HydrophobicContact CB-SD 3.97Å; I499-M517 HydrophobicContact CG1-SD 4.39Å; I499-M517 HydrophobicContact CG2-CE 4.39Å; I499-M517 HydrophobicContact CG2-SD 3.6Å; I499-M517 VanDerWaalsContact CG2-SD 3.6Å; I499-L519 HydrophobicContact CD1-CD2 3.69Å; I499-L519 HydrophobicContact CG1-CD2 3.47Å; I499-L519 VanDerWaalsContact CG1-CD2 3.47Å
500	Q	97.7	Very high	96.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.8	174.5	-177.6	-177	-80.6	0	0	109.6	E439 R454 F455 I486 E487	E439-Q500 VanDerWaalsContact CD-OE1 3.27Å; E439-Q500 PolarHBondContact OE2-OE1 3.35Å; E439-Q500 VanDerWaalsContact OE2-OE1 3.12Å; R454-Q500 HydrophobicContact CG-CG 3.97Å; F455-Q500 VanDerWaalsContact O-CA 3.26Å; F455-Q500 WeakPolarHBondContact O-CA 3.46Å; I486-Q500 CarbonylContact C-O 3.57Å; I486-Q500 VanDerWaalsContact CA-O 3.25Å; I486-Q500 WeakPolarHBondContact CA-O 3.48Å; E487-Q500 HydrophobicContact CB-CB 4.35Å; E487-Q500 PolarHBondContact N-O 2.94Å; E487-Q500 PolarHBondContact O-N 2.91Å; E487-Q500 PolarHBondContact OE2-NE2 3.31Å
501	F	98.2	Very high	96.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.3	166.6	67	-86	0	0	0	110	F455 I476 L478 A483 I486 M515 M517 W530	F455-F501 HydrophobicContact CB-CD1 4.11Å; F455-F501 HydrophobicContact CB-CE1 3.62Å; F455-F501 HydrophobicContact CB-CE2 4.07Å; F455-F501 HydrophobicContact CB-CZ 3.59Å; F455-F501 HydrophobicContact CD2-CD2 4.4Å; F455-F501 AromaticContact CD2-CE2 3.72Å; F455-F501 HydrophobicContact CD2-CE2 3.72Å; F455-F501 AromaticContact CD2-CZ 3.91Å; F455-F501 HydrophobicContact CD2-CZ 3.91Å; F455-F501 HydrophobicContact CG-CE1 4.33Å; F455-F501 HydrophobicContact CG-CE2 4.09Å; F455-F501 AromaticContact CG-CZ 3.79Å; F455-F501 HydrophobicContact CG-CZ 3.79Å; F455-F501 PolarHBondContact N-O 3.07Å; F455-F501 PolarHBondContact O-N 3.26Å; I476-F501 HydrophobicContact CD1-CB 4.08Å; I476-F501 HydrophobicContact CD1-CD1 3.67Å; I476-F501 HydrophobicContact CD1-CE1 4.23Å; I476-F501 HydrophobicContact CD1-CG 3.85Å; L478-F501 HydrophobicContact CD2-CE2 4.47Å; A483-F501 HydrophobicContact CB-CD2 3.83Å; A483-F501 HydrophobicContact CB-CE2 4.47Å; A483-F501 HydrophobicContact CB-CG 4.41Å; I486-F501 HydrophobicContact CG1-CB 3.88Å; F501-M515 HydrophobicContact CZ-SD 4.31Å; F501-M517 HydrophobicContact CE1-SD 4.39Å; F501-W530 HydrophobicContact CE1-CH2 4.48Å; F501-W530 HydrophobicContact CE1-CZ3 4.29Å; F501-W530 HydrophobicContact CZ-CH2 4.24Å; F501-W530 HydrophobicContact CZ-CZ3 4.15Å
502	D	97.8	Very high	97	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.5	173.3	-68.6	-17.3	0	0	0	109.5	G436 A452 R454 A483 K484 Y504	G436-D502 PolarHBondContact N-OD2 3.3Å; A452-D502 HydrophobicContact CB-CB 4.35Å; R454-D502 WeakPolarHBondContact CA-OD1 3.34Å; R454-D502 VanDerWaalsContact CB-OD1 3.26Å; R454-D502 WeakPolarHBondContact CB-OD1 2.79Å; R454-D502 IonicContact CZ-OD1 3.81Å; R454-D502 IonicContact CZ-OD2 3.73Å; R454-D502 IonicContact NE-OD1 3.65Å; R454-D502 PolarHBondContact NE-OD1 2.78Å; R454-D502 IonicContact NE-OD2 2.85Å; R454-D502 IonicContact NH2-OD1 2.75Å; R454-D502 PolarHBondContact NH2-OD1 3.15Å; R454-D502 VanDerWaalsContact NH2-OD1 3.14Å; R454-D502 IonicContact NH2-OD2 2.87Å; R454-D502 PolarHBondContact NH2-OD2 2.84Å; A483-D502 WeakPolarHBondContact CA-O 3.26Å; K484-D502 PolarHBondContact N-O 3.4Å; K484-D502 PolarHBondContact O-N 2.91Å; D502-Y504 HydrophobicContact CB-CD2 4.33Å; D502-Y504 HydrophobicContact CB-CE2 3.74Å
503	W	98.3	Very high	97.1	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.3	170.8	179.9	83.7	0	0	0	109.8	W451 A452 R453 F455 S480 E482 P505 V513 M515 Y534 P536	W451-W503 HydrophobicContact CH2-CZ3 4.42Å; W451-W503 HydrophobicContact CZ3-CE3 4.17Å; W451-W503 AromaticContact CZ3-CZ3 3.87Å; W451-W503 HydrophobicContact CZ3-CZ3 3.87Å; A452-W503 WeakPolarHBondContact CA-O 3.35Å; A452-W503 WeakPolarHBondContact CB-O 3.25Å; R453-W503 HydrophobicContact CB-CE3 4.48Å; R453-W503 PolarHBondContact N-O 2.96Å; R453-W503 PolarHBondContact O-N 3.37Å; F455-W503 HydrophobicContact CD2-CB 4.11Å; F455-W503 HydrophobicContact CE2-CB 3.71Å; F455-W503 HydrophobicContact CE2-CG 4.5Å; S480-W503 PolarHBondContact O-NE1 2.95Å; E482-W503 WeakPolarHBondContact O-CA 3.38Å; W503-P505 HydrophobicContact CH2-CB 3.72Å; W503-P505 HydrophobicContact CZ2-CB 4.45Å; W503-P505 HydrophobicContact CZ3-CB 3.96Å; W503-P505 HydrophobicContact CZ3-CG 4.42Å; W503-V513 HydrophobicContact CH2-CG2 4.36Å; W503-V513 HydrophobicContact CZ2-CG2 3.7Å; W503-M515 HydrophobicContact CB-CE 4.2Å; W503-M515 HydrophobicContact CD2-CE 4.4Å; W503-M515 HydrophobicContact CG-CE 3.81Å; W503-Y534 HydrophobicContact CD2-CD1 4.32Å; W503-Y534 HydrophobicContact CD2-CE1 4.29Å; W503-Y534 HydrophobicContact CE3-CD1 4.12Å; W503-Y534 AromaticContact CE3-CE1 3.64Å; W503-Y534 HydrophobicContact CE3-CE1 3.64Å; W503-Y534 HydrophobicContact CH2-CE1 4.37Å; W503-Y534 HydrophobicContact CZ3-CD1 4.29Å; W503-Y534 AromaticContact CZ3-CE1 3.68Å; W503-Y534 HydrophobicContact CZ3-CE1 3.68Å; W503-P536 HydrophobicContact CH2-CB 3.78Å; W503-P536 HydrophobicContact CH2-CG 3.55Å; W503-P536 HydrophobicContact CZ2-CG 4.14Å; W503-P536 HydrophobicContact CZ3-CB 4.05Å; W503-P536 HydrophobicContact CZ3-CG 4.12Å
504	Y	98	Very high	97.1	Very high	23 Å²	23	41.5 Å²	41.5	9%	0.09	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135	172.4	-70.1	-100.8	0	0	0	110.6	G436 K450 A452 G481 E482 K484 Q485 D502	G436-Y504 WeakPolarHBondContact CA-OH 3.48Å; K450-Y504 HydrophobicContact CB-CE1 4.22Å; A452-Y504 HydrophobicContact CB-CD1 3.79Å; A452-Y504 HydrophobicContact CB-CD2 4.12Å; A452-Y504 HydrophobicContact CB-CE1 3.64Å; A452-Y504 HydrophobicContact CB-CE2 3.95Å; A452-Y504 HydrophobicContact CB-CG 4.05Å; G481-Y504 WeakPolarHBondContact CA-O 3.26Å; E482-Y504 PolarHBondContact N-O 3.25Å; E482-Y504 PolarHBondContact O-N 2.87Å; K484-Y504 HydrophobicContact CB-CD2 4.06Å; K484-Y504 HydrophobicContact CB-CE2 3.84Å; K484-Y504 HydrophobicContact CD-CD2 3.98Å; K484-Y504 HydrophobicContact CD-CE2 4.05Å; K484-Y504 HydrophobicContact CG-CD2 4.26Å; K484-Y504 HydrophobicContact CG-CE2 4.4Å; Q485-Y504 PolarHBondContact NE2-OH 2.71Å; Q485-Y504 VanDerWaalsContact OE1-CE2 3.28Å; Q485-Y504 PolarHBondContact OE1-OH 2.9Å; D502-Y504 HydrophobicContact CB-CD2 4.33Å; D502-Y504 HydrophobicContact CB-CE2 3.74Å
505	P	97.5	Very high	97.3	Very high	35 Å²	35	39.5 Å²	39.5	23%	0.227	22%	0.222	C	C	.	.			trans	-67.5	133.6	171.2	29.2	-33.8	0	0	0	110.2	W451 W503	W451-P505 HydrophobicContact CE3-CG 4.27Å; W451-P505 HydrophobicContact CZ3-CG 4.47Å; W503-P505 HydrophobicContact CH2-CB 3.72Å; W503-P505 HydrophobicContact CZ2-CB 4.45Å; W503-P505 HydrophobicContact CZ3-CB 3.96Å; W503-P505 HydrophobicContact CZ3-CG 4.42Å
506	T	96.8	Very high	97.5	Very high	89 Å²	89	39.7 Å²	39.7	55%	0.546	22%	0.217	S	C	.	.	S	Bend	trans	-103.4	0.9	171.6	53.3	0	0	0	0	112.8	G481 E482	G481-T506 WeakPolarHBondContact CA-OG1 3.23Å; G481-T506 PolarHBondContact N-OG1 3.02Å; E482-T506 HydrophobicContact CB-CG2 4.23Å; E482-T506 HydrophobicContact CG-CG2 4.03Å
507	S	96.6	Very high	97.5	Very high	62 Å²	62	39.7 Å²	39.7	43%	0.434	22%	0.217	S	C	.	.	S	Bend	trans	-155.3	171.4	175.3	73.7	0	0	0	0	110.9	S509 R542	S507-S509 PolarHBondContact O-N 2.92Å; S507-S509 WeakPolarHBondContact OG-CB 3.35Å; S507-S509 PolarHBondContact OG-N 2.86Å; S507-R542 PolarHBondContact O-NH1 2.9Å
508	D	96.6	Very high	97.5	Very high	120 Å²	120	40.3 Å²	40.3	64%	0.642	22%	0.219	S	C	*	.	S	Bend	trans	-78.8	0.5	174.8	-75.8	-15.4	0	0	0	114.2	P539	D508-P539 HydrophobicContact CB-CB 4.48Å; D508-P539 HydrophobicContact CB-CG 3.51Å; D508-P539 WeakPolarHBondContact O-CG 3.23Å; D508-P539 WeakPolarHBondContact OD1-CG 3.35Å
509	S	96.4	Very high	97.6	Very high	41 Å²	41	38.1 Å²	38.1	29%	0.287	21%	0.211	S	C	.	.			trans	-59.3	142.2	-179.9	177.2	0	0	0	0	111.9	S507 D511 R542	S507-S509 PolarHBondContact O-N 2.92Å; S507-S509 WeakPolarHBondContact OG-CB 3.35Å; S507-S509 PolarHBondContact OG-N 2.86Å; S509-D511 WeakPolarHBondContact OG-CB 3.31Å; S509-D511 PolarHBondContact OG-N 3.44Å; S509-D511 PolarHBondContact OG-OD2 2.75Å; S509-R542 PolarHBondContact O-NH2 2.96Å
510	T	95.6	Very high	97.5	Very high	63 Å²	63	41.8 Å²	41.8	39%	0.387	23%	0.225	S	C	.	.			trans	-109.5	11.3	173.1	58	0	0	0	0	111.7	A538	T510-A538 HydrophobicContact CG2-CB 4.24Å
511	D	95.9	Very high	97.5	Very high	109 Å²	109	42.3 Å²	42.3	58%	0.583	23%	0.228	S	C	*	.	S	Bend	trans	-64.2	150.2	177.1	-61.3	-37.8	0	0	0	109.9	S509 V513 P536	S509-D511 WeakPolarHBondContact OG-CB 3.31Å; S509-D511 PolarHBondContact OG-N 3.44Å; S509-D511 PolarHBondContact OG-OD2 2.75Å; D511-V513 PolarHBondContact O-N 3.31Å; D511-P536 WeakPolarHBondContact O-CD 3.44Å
512	P	96.7	Very high	97.4	Very high	44 Å²	44	49.5 Å²	49.5	29%	0.286	26%	0.262	S	S	.	.			trans	-54.8	136	176.1	-23.2	32.8	0	0	0	112.2	Q533 Y534 F535	P512-Q533 HydrophobicContact CB-CG 3.66Å; P512-Y534 CarbonylContact C-O 3.5Å; P512-Y534 WeakPolarHBondContact CA-O 3.41Å; P512-F535 HydrophobicContact CB-CD1 4.04Å; P512-F535 HydrophobicContact CB-CE1 3.87Å; P512-F535 HydrophobicContact CG-CD1 3.98Å; P512-F535 HydrophobicContact CG-CE1 3.87Å
513	V	98	Very high	97.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.4	174.6	-174.3	0	0	0	0	108.2	S480 W503 D511 M515 Q533 Y534 P536	S480-V513 WeakPolarHBondContact O-CG1 3.05Å; S480-V513 WeakPolarHBondContact OG-CG2 3.46Å; W503-V513 HydrophobicContact CH2-CG2 4.36Å; W503-V513 HydrophobicContact CZ2-CG2 3.7Å; D511-V513 PolarHBondContact O-N 3.31Å; V513-M515 HydrophobicContact CB-CE 4.24Å; V513-M515 HydrophobicContact CG1-CE 3.86Å; V513-M515 HydrophobicContact CG1-CG 4.18Å; V513-Q533 WeakPolarHBondContact O-CA 3.1Å; V513-Y534 PolarHBondContact N-O 3.17Å; V513-Y534 PolarHBondContact O-N 3.3Å; V513-P536 HydrophobicContact CG2-CG 3.51Å
514	D	98	Very high	97	Very high	82 Å²	82	57.6 Å²	57.6	44%	0.439	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.3	174	-61.7	-40.9	0	0	0	108.6	S479 Q533	S479-D514 PolarHBondContact N-O 3.47Å; S479-D514 PolarHBondContact OG-N 2.84Å; D514-Q533 PolarHBondContact OD1-NE2 3.1Å
515	M	98.6	Very high	97	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133	-177.8	-52.2	-174.7	166.1	0	0	109.2	F455 L478 F501 W503 V513 W530 L531 Y532 Y534	F455-M515 HydrophobicContact CD1-SD 4.27Å; F455-M515 HydrophobicContact CD2-CE 4.45Å; F455-M515 HydrophobicContact CD2-SD 4.32Å; F455-M515 HydrophobicContact CE1-CE 4.38Å; F455-M515 HydrophobicContact CE1-SD 3.87Å; F455-M515 HydrophobicContact CE2-CE 3.64Å; F455-M515 HydrophobicContact CE2-SD 3.93Å; F455-M515 HydrophobicContact CG-SD 4.49Å; F455-M515 HydrophobicContact CZ-CE 3.6Å; F455-M515 HydrophobicContact CZ-SD 3.69Å; L478-M515 HydrophobicContact CD2-CB 3.95Å; L478-M515 HydrophobicContact CD2-CE 4.21Å; L478-M515 HydrophobicContact CD2-CG 3.6Å; L478-M515 HydrophobicContact CD2-SD 4.15Å; F501-M515 HydrophobicContact CZ-SD 4.31Å; W503-M515 HydrophobicContact CB-CE 4.2Å; W503-M515 HydrophobicContact CD2-CE 4.4Å; W503-M515 HydrophobicContact CG-CE 3.81Å; V513-M515 HydrophobicContact CB-CE 4.24Å; V513-M515 HydrophobicContact CG1-CE 3.86Å; V513-M515 HydrophobicContact CG1-CG 4.18Å; M515-W530 HydrophobicContact CB-CH2 4.18Å; M515-W530 HydrophobicContact CB-CZ3 3.78Å; M515-W530 HydrophobicContact SD-CH2 4.19Å; M515-L531 CarbonylContact O-C 3.52Å; M515-L531 WeakPolarHBondContact O-CA 3.32Å; M515-Y532 WeakPolarHBondContact CB-O 3.03Å; M515-Y532 PolarHBondContact N-O 3.24Å; M515-Y532 PolarHBondContact O-N 3.02Å; M515-Y532 HydrophobicContact SD-CD1 4.41Å; M515-Y534 HydrophobicContact CE-CD1 3.89Å; M515-Y534 HydrophobicContact CE-CG 4Å
516	R	98.6	Very high	97	Very high	79 Å²	79	58.5 Å²	58.5	30%	0.298	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.9	175.4	178.1	173.9	-170.8	-68.9	-5.6	109.4	E312 I476 T477 T529 W530 L531	E312-R516 IonicContact OE1-CZ 3.85Å; E312-R516 IonicContact OE1-NH2 2.8Å; E312-R516 PolarHBondContact OE1-NH2 3.34Å; I476-R516 CarbonylContact C-O 3.36Å; I476-R516 WeakPolarHBondContact CA-O 3.48Å; T477-R516 PolarHBondContact N-O 2.96Å; T477-R516 PolarHBondContact O-N 3.04Å; R516-T529 HydrophobicContact CG-CG2 3.73Å; R516-T529 PolarHBondContact NH2-OG1 3.48Å; R516-W530 CarbonylContact C-O 3.26Å; R516-W530 WeakPolarHBondContact CA-O 3.26Å; R516-L531 HydrophobicContact CB-CD2 3.65Å; R516-L531 HydrophobicContact CG-CD2 3.59Å
517	M	98.8	Very high	97.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.2	174.4	-174.6	176.8	59.3	0	0	111.7	V457 F459 P474 V475 I476 I499 F501 T529 W530	V457-M517 HydrophobicContact CB-CE 3.56Å; V457-M517 HydrophobicContact CG1-CE 3.98Å; V457-M517 HydrophobicContact CG2-CE 3.5Å; F459-M517 HydrophobicContact CE2-CE 3.71Å; F459-M517 HydrophobicContact CZ-CE 3.97Å; P474-M517 HydrophobicContact CB-SD 4.27Å; V475-M517 VanDerWaalsContact O-CA 3.3Å; V475-M517 WeakPolarHBondContact O-CA 3.27Å; I476-M517 HydrophobicContact CD1-SD 4.15Å; I476-M517 HydrophobicContact CG1-CB 4.36Å; I476-M517 HydrophobicContact CG1-CG 3.84Å; I476-M517 HydrophobicContact CG1-SD 3.79Å; I499-M517 HydrophobicContact CB-CE 4.13Å; I499-M517 HydrophobicContact CB-SD 3.97Å; I499-M517 HydrophobicContact CG1-SD 4.39Å; I499-M517 HydrophobicContact CG2-CE 4.39Å; I499-M517 HydrophobicContact CG2-SD 3.6Å; I499-M517 VanDerWaalsContact CG2-SD 3.6Å; F501-M517 HydrophobicContact CE1-SD 4.39Å; M517-T529 CarbonylContact O-C 3.59Å; M517-T529 WeakPolarHBondContact O-CA 3.43Å; M517-W530 HydrophobicContact CB-CB 4.45Å; M517-W530 HydrophobicContact CB-CE3 3.71Å; M517-W530 HydrophobicContact CB-CZ3 4.39Å; M517-W530 HydrophobicContact CE-CD2 4.39Å; M517-W530 HydrophobicContact CE-CE3 4.14Å; M517-W530 PolarHBondContact N-O 2.89Å; M517-W530 PolarHBondContact O-N 3.19Å
518	Y	98.4	Very high	97.1	Very high	47 Å²	47	52.1 Å²	52.1	18%	0.184	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	163	164.7	68	-75.9	0	0	0	108.8	V475 R520 A525	V475-Y518 HydrophobicContact CB-CD1 3.99Å; V475-Y518 HydrophobicContact CB-CE1 3.5Å; V475-Y518 VanDerWaalsContact CB-CE1 3.5Å; V475-Y518 HydrophobicContact CB-CE2 4.37Å; V475-Y518 HydrophobicContact CG1-CD1 4.35Å; V475-Y518 HydrophobicContact CG1-CE1 3.52Å; V475-Y518 HydrophobicContact CG2-CE1 4.16Å; V475-Y518 HydrophobicContact CG2-CE2 4.21Å; V475-Y518 PolarHBondContact N-O 2.84Å; V475-Y518 PolarHBondContact O-N 2.95Å; Y518-R520 HydrophobicContact CE2-CB 4.25Å; Y518-A525 HydrophobicContact CD2-CB 3.86Å; Y518-A525 HydrophobicContact CE2-CB 4.04Å
519	L	98.5	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.8	176.7	-53.9	-173.2	0	0	0	110.1	F459 L464 I472 P474 I499 A525 I526 S527	F459-L519 HydrophobicContact CB-CD1 3.92Å; F459-L519 HydrophobicContact CD1-CD1 4.12Å; F459-L519 HydrophobicContact CD1-CG 4.37Å; F459-L519 HydrophobicContact CD2-CD1 3.85Å; F459-L519 HydrophobicContact CD2-CD2 4.28Å; F459-L519 HydrophobicContact CD2-CG 4.19Å; F459-L519 HydrophobicContact CE1-CG 4.38Å; F459-L519 HydrophobicContact CE2-CD1 4.36Å; F459-L519 HydrophobicContact CE2-CD2 4.09Å; F459-L519 HydrophobicContact CE2-CG 4.2Å; F459-L519 HydrophobicContact CG-CD1 3.7Å; F459-L519 HydrophobicContact CG-CG 4.26Å; F459-L519 HydrophobicContact CZ-CD2 4.48Å; F459-L519 HydrophobicContact CZ-CG 4.3Å; L464-L519 HydrophobicContact CD2-CD1 3.72Å; I472-L519 HydrophobicContact CG2-CB 4.31Å; I472-L519 HydrophobicContact CG2-CD1 4.18Å; I472-L519 HydrophobicContact CG2-CD2 4.26Å; I472-L519 HydrophobicContact CG2-CG 4.48Å; P474-L519 HydrophobicContact CB-CD2 4.25Å; I499-L519 HydrophobicContact CD1-CD2 3.69Å; I499-L519 HydrophobicContact CG1-CD2 3.47Å; I499-L519 VanDerWaalsContact CG1-CD2 3.47Å; L519-A525 WeakPolarHBondContact O-CA 3.19Å; L519-I526 HydrophobicContact CB-CD1 4.09Å; L519-I526 HydrophobicContact CB-CG1 3.61Å; L519-I526 WeakPolarHBondContact O-CG1 3.4Å; L519-I526 PolarHBondContact O-N 2.75Å; L519-S527 PolarHBondContact N-OG 3.14Å
520	R	97.5	Very high	97.4	Very high	76 Å²	76	44.7 Å²	44.7	29%	0.287	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.5	174.7	-176.8	170.8	69.2	-177.6	-2.9	110.6	E473 V475 Y518 D524	E473-R520 PolarHBondContact N-O 2.9Å; E473-R520 PolarHBondContact O-N 2.8Å; E473-R520 IonicContact OE1-CZ 2.68Å; E473-R520 IonicContact OE1-NH2 3.52Å; E473-R520 PolarHBondContact OE1-NH2 3.03Å; E473-R520 IonicContact OE2-CZ 3.98Å; E473-R520 IonicContact OE2-NE 3.08Å; E473-R520 PolarHBondContact OE2-NE 3.39Å; E473-R520 IonicContact OE2-NH2 3.3Å; E473-R520 PolarHBondContact OE2-NH2 2.9Å; V475-R520 HydrophobicContact CG2-CB 4.05Å; Y518-R520 HydrophobicContact CE2-CB 4.25Å; R520-D524 CarbonylContact C-O 3.45Å; R520-D524 VanDerWaalsContact CA-O 3.22Å; R520-D524 WeakPolarHBondContact CA-O 3.5Å; R520-D524 WeakPolarHBondContact CG-O 3.19Å
521	C	97.4	Very high	97.5	Very high	11 Å²	11	43 Å²	43	7%	0.074	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	125.7	168.2	-177.9	0	0	0	0	108.7	A467 K470 G471 G523 D524 I526	A467-C521 HydrophobicContact CB-CB 4.06Å; K470-C521 VanDerWaalsContact CB-SG 3.59Å; G471-C521 PolarHBondContact O-SG 2.84Å; C521-G523 PolarHBondContact O-N 2.99Å; C521-G523 VanDerWaalsContact O-N 3.1Å; C521-D524 PolarHBondContact N-O 2.91Å; C521-D524 PolarHBondContact O-N 2.76Å; C521-I526 HydrophobicContact CB-CD1 3.91Å; C521-I526 HydrophobicContact CB-CG1 4.47Å; C521-I526 HydrophobicContact CB-CG2 3.82Å
522	Q	95	Very high	97.6	Very high	152 Å²	152	38.2 Å²	38.2	71%	0.71	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	34	178.7	-59.6	-64.2	-32.4	0	0	114.3	K470	K470-Q522 HydrophobicContact CB-CG 4.36Å; K470-Q522 PolarHBondContact O-NE2 3.12Å
523	G	93.8	Very high	97.6	Very high	54 Å²	54	36.6 Å²	36.6	56%	0.557	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.7	-22.5	-179.6	0	0	0	0	0	114.8	C521	C521-G523 PolarHBondContact O-N 2.99Å; C521-G523 VanDerWaalsContact O-N 3.1Å
524	D	95.2	Very high	97.6	Very high	119 Å²	119	37.6 Å²	37.6	64%	0.636	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	139.7	-175.5	-66.2	-39.2	0	0	0	112.4	R520 C521 I526	R520-D524 CarbonylContact C-O 3.45Å; R520-D524 VanDerWaalsContact CA-O 3.22Å; R520-D524 WeakPolarHBondContact CA-O 3.5Å; R520-D524 WeakPolarHBondContact CG-O 3.19Å; C521-D524 PolarHBondContact N-O 2.91Å; C521-D524 PolarHBondContact O-N 2.76Å; D524-I526 PolarHBondContact O-N 2.65Å
525	A	96.6	Very high	97.4	Very high	51 Å²	51	35.8 Å²	35.8	42%	0.421	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.8	170.5	0	0	0	0	0	110	Y518 L519	Y518-A525 HydrophobicContact CD2-CB 3.86Å; Y518-A525 HydrophobicContact CE2-CB 4.04Å; L519-A525 WeakPolarHBondContact O-CA 3.19Å
526	I	97.6	Very high	97.3	Very high	26 Å²	26	36 Å²	36	13%	0.133	19%	0.19	C	C	.	.			trans	-117.3	5.8	-177.6	62.6	166.1	0	0	0	113.1	A425 L464 A467 I472 L519 C521 D524	A425-I526 VanDerWaalsContact CB-O 3.25Å; A425-I526 WeakPolarHBondContact CB-O 3.47Å; A425-I526 PolarHBondContact N-O 2.86Å; L464-I526 HydrophobicContact CD2-CD1 4.06Å; A467-I526 HydrophobicContact CB-CD1 3.61Å; I472-I526 HydrophobicContact CG1-CD1 4.04Å; I472-I526 HydrophobicContact CG2-CD1 4.42Å; L519-I526 HydrophobicContact CB-CD1 4.09Å; L519-I526 HydrophobicContact CB-CG1 3.61Å; L519-I526 WeakPolarHBondContact O-CG1 3.4Å; L519-I526 PolarHBondContact O-N 2.75Å; C521-I526 HydrophobicContact CB-CD1 3.91Å; C521-I526 HydrophobicContact CB-CG1 4.47Å; C521-I526 HydrophobicContact CB-CG2 3.82Å; D524-I526 PolarHBondContact O-N 2.65Å
527	S	98.5	Very high	97.1	Very high	5 Å²	5	34 Å²	34	4%	0.035	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-136.9	166.8	174	76.1	0	0	0	0	112.1	A425 L519	A425-S527 CarbonylContact O-C 3.52Å; A425-S527 WeakPolarHBondContact O-CA 3.34Å; A425-S527 WeakPolarHBondContact O-CB 3.34Å; L519-S527 PolarHBondContact N-OG 3.14Å
528	E	98.4	Very high	96.9	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.056	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-63.6	159.1	157.1	73.7	-173	175.9	0	0	111	W313 C315 C422 A425 V427	W313-E528 HydrophobicContact CB-CB 3.81Å; C315-E528 HydrophobicContact CB-CG 4.17Å; C315-E528 WeakPolarHBondContact CB-OE1 3.14Å; C422-E528 HydrophobicContact CB-CB 4.43Å; A425-E528 PolarHBondContact O-N 3.4Å; V427-E528 WeakPolarHBondContact CB-OE1 3.5Å; V427-E528 HydrophobicContact CG2-CG 4.17Å; V427-E528 PolarHBondContact N-OE1 2.8Å
529	T	98.7	Very high	96.8	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.3	175.1	-61.7	0	0	0	0	109.6	E312 W313 I314 C315 R516 M517 L531	E312-T529 PolarHBondContact OE1-OG1 3.18Å; W313-T529 PolarHBondContact O-N 3.36Å; I314-T529 CarbonylContact C-O 3.47Å; I314-T529 VanDerWaalsContact CA-O 3.31Å; I314-T529 WeakPolarHBondContact CA-O 3.34Å; C315-T529 PolarHBondContact N-O 2.78Å; R516-T529 HydrophobicContact CG-CG2 3.73Å; R516-T529 PolarHBondContact NH2-OG1 3.48Å; M517-T529 CarbonylContact O-C 3.59Å; M517-T529 WeakPolarHBondContact O-CA 3.43Å; T529-L531 HydrophobicContact CG2-CD2 3.85Å; T529-L531 HydrophobicContact CG2-CG 4.17Å
530	W	98.8	Very high	96.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.4	164.6	177.8	79.3	0	0	0	109.7	C315 V427 T430 F455 V457 F459 F501 M515 R516 M517 Y532	C315-W530 WeakPolarHBondContact O-CA 3.29Å; V427-W530 HydrophobicContact CG2-CB 3.94Å; V427-W530 HydrophobicContact CG2-CG 4.4Å; T430-W530 HydrophobicContact CG2-CZ2 3.74Å; T430-W530 PolarHBondContact OG1-NE1 2.98Å; F455-W530 HydrophobicContact CD1-CH2 4.02Å; F455-W530 HydrophobicContact CD1-CZ2 4.32Å; V457-W530 HydrophobicContact CG1-CG 4.13Å; V457-W530 HydrophobicContact CG2-CD2 3.99Å; V457-W530 HydrophobicContact CG2-CE3 4.47Å; V457-W530 HydrophobicContact CG2-CG 4.38Å; V457-W530 HydrophobicContact CG2-CH2 4.35Å; V457-W530 HydrophobicContact CG2-CZ2 3.87Å; F459-W530 HydrophobicContact CZ-CB 4.41Å; F501-W530 HydrophobicContact CE1-CH2 4.48Å; F501-W530 HydrophobicContact CE1-CZ3 4.29Å; F501-W530 HydrophobicContact CZ-CH2 4.24Å; F501-W530 HydrophobicContact CZ-CZ3 4.15Å; M515-W530 HydrophobicContact CB-CH2 4.18Å; M515-W530 HydrophobicContact CB-CZ3 3.78Å; M515-W530 HydrophobicContact SD-CH2 4.19Å; R516-W530 CarbonylContact C-O 3.26Å; R516-W530 WeakPolarHBondContact CA-O 3.26Å; M517-W530 HydrophobicContact CB-CB 4.45Å; M517-W530 HydrophobicContact CB-CE3 3.71Å; M517-W530 HydrophobicContact CB-CZ3 4.39Å; M517-W530 HydrophobicContact CE-CD2 4.39Å; M517-W530 HydrophobicContact CE-CE3 4.14Å; M517-W530 PolarHBondContact N-O 2.89Å; M517-W530 PolarHBondContact O-N 3.19Å; W530-Y532 VanDerWaalsContact CH2-CB 3.44Å; W530-Y532 HydrophobicContact CH2-CD1 4.34Å; W530-Y532 HydrophobicContact CH2-CG 4Å; W530-Y532 HydrophobicContact CZ2-CD1 4.21Å; W530-Y532 HydrophobicContact CZ2-CD2 4.02Å; W530-Y532 AromaticContact CZ2-CG 3.58Å; W530-Y532 HydrophobicContact CZ2-CG 3.58Å
531	L	98.6	Very high	96.4	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.141	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.6	168.1	-65.9	-173.3	0	0	0	109.5	I314 C315 R316 P317 Y329 M515 R516 T529	I314-L531 HydrophobicContact CD1-CD1 4.13Å; I314-L531 HydrophobicContact CG2-CB 4.25Å; I314-L531 HydrophobicContact CG2-CD1 3.65Å; I314-L531 HydrophobicContact CG2-CG 3.66Å; C315-L531 PolarHBondContact O-N 2.96Å; R316-L531 WeakPolarHBondContact CA-O 3.44Å; R316-L531 HydrophobicContact CB-CB 4.34Å; R316-L531 WeakPolarHBondContact CD-O 3.18Å; P317-L531 WeakPolarHBondContact CD-O 3.25Å; Y329-L531 HydrophobicContact CD1-CD1 4.01Å; Y329-L531 HydrophobicContact CE1-CD1 3.64Å; M515-L531 CarbonylContact O-C 3.52Å; M515-L531 WeakPolarHBondContact O-CA 3.32Å; R516-L531 HydrophobicContact CB-CD2 3.65Å; R516-L531 HydrophobicContact CG-CD2 3.59Å; T529-L531 HydrophobicContact CG2-CD2 3.85Å; T529-L531 HydrophobicContact CG2-CG 4.17Å
532	Y	98.1	Very high	96.3	Very high	9 Å²	9	44 Å²	44	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.5	176.2	-165.5	-103.3	0	0	0	110.7	N286 P317 N319 T430 T432 F455 M515 W530 Y534	N286-Y532 HydrophobicContact CB-CE2 4.02Å; N286-Y532 WeakPolarHBondContact ND2-CE2 3.3Å; N286-Y532 PolarHBondContact ND2-OH 3.25Å; P317-Y532 HydrophobicContact CB-CD2 4.1Å; P317-Y532 HydrophobicContact CB-CE2 4.17Å; P317-Y532 HydrophobicContact CG-CD2 4.17Å; N319-Y532 PolarHBondContact OD1-OH 2.95Å; T430-Y532 HydrophobicContact CG2-CD2 4.38Å; T430-Y532 HydrophobicContact CG2-CE2 4.32Å; T432-Y532 HydrophobicContact CG2-CE1 4.48Å; F455-Y532 HydrophobicContact CD1-CD1 4.46Å; F455-Y532 AromaticContact CE1-CD1 3.79Å; F455-Y532 HydrophobicContact CE1-CD1 3.79Å; F455-Y532 AromaticContact CE1-CE1 3.68Å; F455-Y532 HydrophobicContact CE1-CE1 3.68Å; M515-Y532 WeakPolarHBondContact CB-O 3.03Å; M515-Y532 PolarHBondContact N-O 3.24Å; M515-Y532 PolarHBondContact O-N 3.02Å; M515-Y532 HydrophobicContact SD-CD1 4.41Å; W530-Y532 VanDerWaalsContact CH2-CB 3.44Å; W530-Y532 HydrophobicContact CH2-CD1 4.34Å; W530-Y532 HydrophobicContact CH2-CG 4Å; W530-Y532 HydrophobicContact CZ2-CD1 4.21Å; W530-Y532 HydrophobicContact CZ2-CD2 4.02Å; W530-Y532 AromaticContact CZ2-CG 3.58Å; W530-Y532 HydrophobicContact CZ2-CG 3.58Å; Y532-Y534 HydrophobicContact CE1-CD2 4.47Å
533	Q	97.1	Very high	96	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117	169.6	-168.6	171.3	70.6	0	0	108.2	R316 N319 N327 P512 V513 D514 F535	R316-Q533 VanDerWaalsContact NH2-CB 3.29Å; N319-Q533 PolarHBondContact ND2-O 2.6Å; N327-Q533 PolarHBondContact ND2-NE2 3.04Å; P512-Q533 HydrophobicContact CB-CG 3.66Å; V513-Q533 WeakPolarHBondContact O-CA 3.1Å; D514-Q533 PolarHBondContact OD1-NE2 3.1Å; Q533-F535 HydrophobicContact CB-CZ 4.19Å; Q533-F535 HydrophobicContact CG-CE1 3.84Å; Q533-F535 HydrophobicContact CG-CZ 3.77Å; Q533-F535 VanDerWaalsContact OE1-CE1 3.3Å
534	Y	96.7	Very high	95.8	Very high	20 Å²	20	42.5 Å²	42.5	8%	0.078	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	142	176.5	178.2	-124.3	0	0	0	110.4	W451 R453 F455 W503 P512 V513 M515 Y532 P536 P537	W451-Y534 WeakPolarHBondContact CH2-OH 3.46Å; R453-Y534 HydrophobicContact CB-CE1 4.21Å; R453-Y534 HydrophobicContact CG-CE1 4.4Å; R453-Y534 HydrophobicContact CG-CE2 3.97Å; F455-Y534 HydrophobicContact CE1-CD2 4.32Å; F455-Y534 HydrophobicContact CE1-CG 4.43Å; F455-Y534 HydrophobicContact CZ-CD1 4.06Å; F455-Y534 AromaticContact CZ-CD2 3.73Å; F455-Y534 HydrophobicContact CZ-CD2 3.73Å; F455-Y534 HydrophobicContact CZ-CE2 4.27Å; F455-Y534 AromaticContact CZ-CG 3.63Å; F455-Y534 HydrophobicContact CZ-CG 3.63Å; W503-Y534 HydrophobicContact CD2-CD1 4.32Å; W503-Y534 HydrophobicContact CD2-CE1 4.29Å; W503-Y534 HydrophobicContact CE3-CD1 4.12Å; W503-Y534 AromaticContact CE3-CE1 3.64Å; W503-Y534 HydrophobicContact CE3-CE1 3.64Å; W503-Y534 HydrophobicContact CH2-CE1 4.37Å; W503-Y534 HydrophobicContact CZ3-CD1 4.29Å; W503-Y534 AromaticContact CZ3-CE1 3.68Å; W503-Y534 HydrophobicContact CZ3-CE1 3.68Å; P512-Y534 CarbonylContact C-O 3.5Å; P512-Y534 WeakPolarHBondContact CA-O 3.41Å; V513-Y534 PolarHBondContact N-O 3.17Å; V513-Y534 PolarHBondContact O-N 3.3Å; M515-Y534 HydrophobicContact CE-CD1 3.89Å; M515-Y534 HydrophobicContact CE-CG 4Å; Y532-Y534 HydrophobicContact CE1-CD2 4.47Å; Y534-P536 HydrophobicContact CD1-CG 3.97Å; Y534-P536 HydrophobicContact CE1-CB 4.11Å; Y534-P536 HydrophobicContact CE1-CG 3.95Å; Y534-P536 WeakPolarHBondContact O-CD 3.41Å; Y534-P537 WeakPolarHBondContact OH-CD 3.15Å
535	F	95.3	Very high	95.1	Very high	44 Å²	44	41.7 Å²	41.7	19%	0.193	22%	0.224	C	C	.	.			trans	-112.4	97.6	176.7	-51.4	-75.5	0	0	0	108.5	N319 P321 Q325 P512 Q533	N319-F535 HydrophobicContact CB-CE2 4.06Å; P321-F535 HydrophobicContact CB-CD2 4.2Å; P321-F535 HydrophobicContact CB-CE1 4.33Å; P321-F535 HydrophobicContact CB-CE2 3.73Å; P321-F535 HydrophobicContact CB-CZ 3.81Å; Q325-F535 HydrophobicContact CG-CE1 3.55Å; Q325-F535 HydrophobicContact CG-CZ 3.59Å; P512-F535 HydrophobicContact CB-CD1 4.04Å; P512-F535 HydrophobicContact CB-CE1 3.87Å; P512-F535 HydrophobicContact CG-CD1 3.98Å; P512-F535 HydrophobicContact CG-CE1 3.87Å; Q533-F535 HydrophobicContact CB-CZ 4.19Å; Q533-F535 HydrophobicContact CG-CE1 3.84Å; Q533-F535 HydrophobicContact CG-CZ 3.77Å; Q533-F535 VanDerWaalsContact OE1-CE1 3.3Å
536	P	95.3	Very high	94.5	Very high	9 Å²	9	41 Å²	41	6%	0.058	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-61.7	138.7	-179.8	-22.1	33.5	0	0	0	110.9	W503 D511 V513 Y534	W503-P536 HydrophobicContact CH2-CB 3.78Å; W503-P536 HydrophobicContact CH2-CG 3.55Å; W503-P536 HydrophobicContact CZ2-CG 4.14Å; W503-P536 HydrophobicContact CZ3-CB 4.05Å; W503-P536 HydrophobicContact CZ3-CG 4.12Å; D511-P536 WeakPolarHBondContact O-CD 3.44Å; V513-P536 HydrophobicContact CG2-CG 3.51Å; Y534-P536 HydrophobicContact CD1-CG 3.97Å; Y534-P536 HydrophobicContact CE1-CB 4.11Å; Y534-P536 HydrophobicContact CE1-CG 3.95Å; Y534-P536 WeakPolarHBondContact O-CD 3.41Å
537	P	94.3	Very high	93.7	Very high	36 Å²	36	46.2 Å²	46.2	23%	0.234	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-65.2	161.1	170.5	29.9	-34.7	0	0	0	110.4	W451 Y534 K541 R542	W451-P537 HydrophobicContact CH2-CG 3.86Å; W451-P537 HydrophobicContact CZ2-CG 3.69Å; Y534-P537 WeakPolarHBondContact OH-CD 3.15Å; P537-K541 HydrophobicContact CB-CB 3.97Å; P537-R542 HydrophobicContact CG-CG 3.92Å; P537-R542 PolarHBondContact O-NE 2.67Å; P537-R542 PolarHBondContact O-NH2 3.19Å
538	A	95.4	Very high	92.9	Very high	37 Å²	37	52.6 Å²	52.6	31%	0.306	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-58.1	150.3	172.5	0	0	0	0	0	111.2	T510 D540 K541 R542	T510-A538 HydrophobicContact CG2-CB 4.24Å; A538-D540 WeakPolarHBondContact CB-OD1 3.34Å; A538-D540 PolarHBondContact O-N 3.22Å; A538-D540 VanDerWaalsContact O-N 3.17Å; A538-K541 CarbonylContact O-C 3.59Å; A538-K541 WeakPolarHBondContact O-CA 3.46Å; A538-K541 WeakPolarHBondContact O-CB 3.25Å; A538-K541 PolarHBondContact O-N 3.17Å; A538-R542 PolarHBondContact O-N 3.11Å
539	P	95.8	Very high	91.8	Very high	46 Å²	46	57.3 Å²	57.3	30%	0.299	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-52.1	-38.4	-176.5	-28.3	34.4	0	0	0	114.7	D508 K541 R542	D508-P539 HydrophobicContact CB-CB 4.48Å; D508-P539 HydrophobicContact CB-CG 3.51Å; D508-P539 WeakPolarHBondContact O-CG 3.23Å; D508-P539 WeakPolarHBondContact OD1-CG 3.35Å; P539-K541 PolarHBondContact O-N 2.85Å; P539-R542 WeakPolarHBondContact O-CB 3.47Å; P539-R542 PolarHBondContact O-N 3.49Å; P539-R542 VanDerWaalsContact O-N 3.1Å
540	D	94.8	Very high	90	Very high	97 Å²	97	65 Å²	65	52%	0.519	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-66.4	-17.6	177.1	68.4	-58.2	0	0	0	113.5	A538	A538-D540 WeakPolarHBondContact CB-OD1 3.34Å; A538-D540 PolarHBondContact O-N 3.22Å; A538-D540 VanDerWaalsContact O-N 3.17Å
541	K	93.4	Very high	88.2	Confident	141 Å²	141	74 Å²	74	61%	0.613	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-100.7	-0.8	175.9	-57.9	-57.6	177.8	-169.5	0	113.2	P537 A538 P539 Q543	P537-K541 HydrophobicContact CB-CB 3.97Å; A538-K541 CarbonylContact O-C 3.59Å; A538-K541 WeakPolarHBondContact O-CA 3.46Å; A538-K541 WeakPolarHBondContact O-CB 3.25Å; A538-K541 PolarHBondContact O-N 3.17Å; P539-K541 PolarHBondContact O-N 2.85Å; K541-Q543 PolarHBondContact O-N 3.41Å
542	R	94.1	Very high	87.7	Confident	24 Å²	24	76.4 Å²	76.4	9%	0.091	41%	0.407	C	S	.	.			trans	-84.9	57.6	174.5	-64.5	172.7	-161.4	177.9	-3.9	110.2	W451 S507 S509 P537 A538 P539	W451-R542 HydrophobicContact CB-CB 4.04Å; W451-R542 WeakPolarHBondContact CB-O 3.33Å; W451-R542 HydrophobicContact CD2-CB 3.71Å; W451-R542 HydrophobicContact CD2-CG 4.01Å; W451-R542 HydrophobicContact CE3-CB 3.93Å; W451-R542 HydrophobicContact CE3-CG 3.87Å; W451-R542 HydrophobicContact CG-CB 3.77Å; W451-R542 HydrophobicContact CZ3-CG 4.17Å; S507-R542 PolarHBondContact O-NH1 2.9Å; S509-R542 PolarHBondContact O-NH2 2.96Å; P537-R542 HydrophobicContact CG-CG 3.92Å; P537-R542 PolarHBondContact O-NE 2.67Å; P537-R542 PolarHBondContact O-NH2 3.19Å; A538-R542 PolarHBondContact O-N 3.11Å; P539-R542 WeakPolarHBondContact O-CB 3.47Å; P539-R542 PolarHBondContact O-N 3.49Å; P539-R542 VanDerWaalsContact O-N 3.1Å
543	Q	90.3	Very high	87.2	Confident	134 Å²	134	79.9 Å²	79.9	63%	0.626	43%	0.427	S	S	*	.	S	Bend	trans	-136	148.3	-179.8	-59	-176.4	1	0	0	108	K541	K541-Q543 PolarHBondContact O-N 3.41Å
544	Y	88	Confident	86.6	Confident	39 Å²	39	83.8 Å²	83.8	15%	0.153	45%	0.448	C	S	.	.			trans	-85	130.3	169.7	-57.5	-54.3	0	0	0	108.7	M434 G435 Y447 P448 W451 A452	M434-Y544 HydrophobicContact CB-CE1 4.46Å; M434-Y544 HydrophobicContact CG-CD1 3.55Å; M434-Y544 HydrophobicContact CG-CE1 3.17Å; M434-Y544 HydrophobicContact SD-CD1 3.47Å; M434-Y544 WeakPolarHBondContact SD-CD1 3.42Å; M434-Y544 HydrophobicContact SD-CE1 3.75Å; M434-Y544 HydrophobicContact SD-CG 4.01Å; G435-Y544 PolarHBondContact O-OH 3.21Å; Y447-Y544 HydrophobicContact CD1-CD1 4.47Å; Y447-Y544 AromaticContact CD1-CD2 3.95Å; Y447-Y544 HydrophobicContact CD1-CD2 3.95Å; Y447-Y544 AromaticContact CD1-CG 3.64Å; Y447-Y544 HydrophobicContact CD1-CG 3.64Å; Y447-Y544 HydrophobicContact CE1-CG 4.31Å; Y447-Y544 HydrophobicContact CG-CD2 4.3Å; Y447-Y544 HydrophobicContact CG-CG 4.25Å; P448-Y544 HydrophobicContact CB-CE2 3.92Å; P448-Y544 HydrophobicContact CG-CE2 3.87Å; W451-Y544 WeakPolarHBondContact CA-OH 3.19Å; W451-Y544 AromaticContact CD1-CD1 3.83Å; W451-Y544 AromaticContact CD1-CE1 3.43Å; W451-Y544 VanDerWaalsContact CD1-CE1 3.43Å; W451-Y544 AromaticContact CD1-CZ 3.9Å; W451-Y544 HydrophobicContact CG-CE1 4.17Å; W451-Y544 AromaticContact NE1-CE1 3.91Å; A452-Y544 PolarHBondContact N-OH 3.27Å; A452-Y544 PolarHBondContact O-OH 3.24Å
545	V	82.1	Confident	86	Confident	102 Å²	102	87.6 Å²	87.6	62%	0.618	47%	0.47	S	S	*	.			trans	-87.5	118.9	-179.2	-177.9	0	0	0	0	108.1	Y447 D547	Y447-V545 PolarHBondContact OH-O 3.46Å; V545-D547 WeakPolarHBondContact CG1-OD1 3.32Å
546	D	82.6	Confident	85.4	Confident	37 Å²	37	90.3 Å²	90.3	20%	0.198	49%	0.487	C	S	.	.			trans	-105	91.9	171.7	-172	-1.3	0	0	0	110.1	Y447 R548 V549	Y447-D546 HydrophobicContact CD2-CB 4.23Å; Y447-D546 HydrophobicContact CE2-CB 3.69Å; D546-R548 PolarHBondContact O-N 2.68Å; D546-R548 VanDerWaalsContact OD1-CB 3.27Å; D546-R548 WeakPolarHBondContact OD1-CB 3.37Å; D546-R548 WeakPolarHBondContact OD1-CG 3.27Å; D546-R548 IonicContact OD1-CZ 2.82Å; D546-R548 PolarHBondContact OD1-N 3.29Å; D546-R548 VanDerWaalsContact OD1-N 3.15Å; D546-R548 IonicContact OD1-NE 2.75Å; D546-R548 PolarHBondContact OD1-NE 3.2Å; D546-R548 IonicContact OD1-NH2 3.17Å; D546-R548 IonicContact OD2-CZ 3.92Å; D546-R548 IonicContact OD2-NE 3.81Å; D546-R548 PolarHBondContact OD2-NE 3.47Å; D546-R548 IonicContact OD2-NH2 3.42Å; D546-R548 PolarHBondContact OD2-NH2 3.02Å; D546-V549 HydrophobicContact CB-CG2 4.26Å; D546-V549 PolarHBondContact O-N 3.08Å; D546-V549 VanDerWaalsContact O-N 3.08Å
547	D	81	Confident	84.8	Confident	136 Å²	136	95.7 Å²	95.7	73%	0.727	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-8.8	-179.1	-66.1	-40	0	0	0	113.6	V545 V549	V545-D547 WeakPolarHBondContact CG1-OD1 3.32Å; D547-V549 VanDerWaalsContact C-N 3.34Å
548	R	81.8	Confident	84.1	Confident	138 Å²	138	100 Å²	100	52%	0.521	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-25.7	175.2	-54.9	171.8	-60.2	149.6	9.9	112	G444 D546 M550	G444-R548 PolarHBondContact O-NH1 2.79Å; G444-R548 PolarHBondContact O-NH2 3.15Å; D546-R548 PolarHBondContact O-N 2.68Å; D546-R548 VanDerWaalsContact OD1-CB 3.27Å; D546-R548 WeakPolarHBondContact OD1-CB 3.37Å; D546-R548 WeakPolarHBondContact OD1-CG 3.27Å; D546-R548 IonicContact OD1-CZ 2.82Å; D546-R548 PolarHBondContact OD1-N 3.29Å; D546-R548 VanDerWaalsContact OD1-N 3.15Å; D546-R548 IonicContact OD1-NE 2.75Å; D546-R548 PolarHBondContact OD1-NE 3.2Å; D546-R548 IonicContact OD1-NH2 3.17Å; D546-R548 IonicContact OD2-CZ 3.92Å; D546-R548 IonicContact OD2-NE 3.81Å; D546-R548 PolarHBondContact OD2-NE 3.47Å; D546-R548 IonicContact OD2-NH2 3.42Å; D546-R548 PolarHBondContact OD2-NH2 3.02Å; R548-M550 PolarHBondContact O-N 3.33Å
549	V	74.8	Confident	83.2	Confident	111 Å²	111	104.8 Å²	104.8	67%	0.673	55%	0.553	S	S	*	*	S	Bend	trans	-80.7	67.3	171.1	-169.9	0	0	0	0	107.2	D546 D547 S551	D546-V549 HydrophobicContact CB-CG2 4.26Å; D546-V549 PolarHBondContact O-N 3.08Å; D546-V549 VanDerWaalsContact O-N 3.08Å; D547-V549 VanDerWaalsContact C-N 3.34Å; V549-S551 PolarHBondContact O-N 2.95Å
550	M	61.9	Low	82.2	Confident	168 Å²	168	109.8 Å²	109.8	83%	0.828	58%	0.575	S	S	*	*			trans	-64.1	124.9	165.7	-70.7	-143.2	-76.9	0	0	107.6	R548	R548-M550 PolarHBondContact O-N 3.33Å
551	S	61.2	Low	81	Confident	190 Å²	190	110.9 Å²	110.9	100%	1.329	58%	0.58	S	S	*	*			trans	-43.4	0	-175.7	60.7	0	0	0	0	114.9	V549	V549-S551 PolarHBondContact O-N 2.95Å

Retrieved 551 of 551 residues in 940.9 ms (Link to these results)

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