G4VT19_SCHMA Loading...

Serine/threonine-protein phosphatase PGAM5, mitochondrial

AlphaFold DB , UniProt , Accession G4VT19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 291 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	36.2	Very low	32.5	Very low	242 Å²	242	159.2 Å²	159.2	100%	1.192	85%	0.848	S	S	*	*				0	129.9	0	-69.6	177.1	-166	0	0	107.8
2	S	33.4	Very low	32.1	Very low	122 Å²	122	153.8 Å²	153.8	85%	0.853	83%	0.831	S	S	*	*			trans	-71.3	133.2	-161.2	177.3	0	0	0	0	113.9
3	F	34.2	Very low	32.4	Very low	208 Å²	208	152.2 Å²	152.2	91%	0.912	82%	0.819	S	S	*	*			trans	-96.5	113.6	163.2	-99.8	-92.2	0	0	0	109
4	S	33.5	Very low	32.3	Very low	100 Å²	100	151.2 Å²	151.2	70%	0.699	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74.6	126.2	177.4	65.6	0	0	0	0	111.5
5	R	33.5	Very low	32.4	Very low	243 Å²	243	145.6 Å²	145.6	92%	0.917	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-75.2	118.5	165.1	-84.6	179	168.9	178.8	-3.1	110
6	V	34	Very low	32.8	Very low	125 Å²	125	141.1 Å²	141.1	76%	0.758	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78.8	118.7	165.5	173.7	0	0	0	0	108.4
7	V	31.4	Very low	33.4	Very low	121 Å²	121	138.4 Å²	138.4	73%	0.733	79%	0.79	S	S	*	*			trans	-97.6	115.6	167	174.8	0	0	0	0	107.3	L9	V7-L9 PolarHBondContact O-N 2.96Å
8	R	30.3	Very low	34.1	Very low	241 Å²	241	136.5 Å²	136.5	91%	0.909	78%	0.776	S	S	*	*			trans	-76.4	113.5	171.9	-86.7	-178.2	172.3	178.8	-2.4	109.4
9	L	30.2	Very low	34.6	Very low	167 Å²	167	137.4 Å²	137.4	87%	0.874	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-73.5	117.6	157.8	-96.7	91.7	0	0	0	108.6	V7	V7-L9 PolarHBondContact O-N 2.96Å
10	G	31.1	Very low	35	Very low	71 Å²	71	133.2 Å²	133.2	73%	0.732	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-87	128.3	167	0	0	0	0	0	110.6	C12	G10-C12 PolarHBondContact O-N 2.92Å
11	C	29.1	Very low	35.4	Very low	111 Å²	111	129.8 Å²	129.8	75%	0.75	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-49.5	122	174.9	-77.6	0	0	0	0	113.4	I13	C11-I13 HydrophobicContact CB-CG1 4.4Å
12	C	28.6	Very low	35.8	Very low	95 Å²	95	124.3 Å²	124.3	64%	0.642	72%	0.717	S	S	*	*			trans	-111.6	94.9	145.7	-66.7	0	0	0	0	107.2	G10 T16	G10-C12 PolarHBondContact O-N 2.92Å; C12-T16 HydrophobicContact CB-CG2 4.04Å; C12-T16 WeakPolarHBondContact CB-OG1 3.44Å
13	I	35.3	Very low	36.3	Very low	132 Å²	132	122.2 Å²	122.2	68%	0.677	71%	0.708	S	S	*	*			trans	-84.6	128.3	167.7	-66.9	173.2	0	0	0	106.2	C11	C11-I13 HydrophobicContact CB-CG1 4.4Å
14	T	31.8	Very low	36.9	Very low	139 Å²	139	113.7 Å²	113.7	85%	0.853	68%	0.675	S	S	*	*	S	Bend	trans	64.3	85.4	172.4	53.2	0	0	0	0	117
15	G	33.4	Very low	37.6	Very low	67 Å²	67	115.8 Å²	115.8	69%	0.691	67%	0.668	S	S	*	*	S	Bend	trans	155.4	-18.1	163.8	0	0	0	0	0	115.9
16	T	38.7	Very low	38.3	Very low	73 Å²	73	109.4 Å²	109.4	45%	0.448	66%	0.661	S	S	.	*			trans	-104.1	7	-158.5	16.4	0	0	0	0	117	C12 L18	C12-T16 HydrophobicContact CB-CG2 4.04Å; C12-T16 WeakPolarHBondContact CB-OG1 3.44Å; T16-L18 VanDerWaalsContact C-N 3.31Å; T16-L18 PolarHBondContact O-N 3.47Å
17	A	43.3	Very low	38.9	Very low	95 Å²	95	105.9 Å²	105.9	79%	0.785	65%	0.645	S	S	*	*	H	α-helix	trans	-70.1	-26.4	177.6	0	0	0	0	0	113.2
18	L	45.3	Very low	39.9	Very low	105 Å²	105	108.3 Å²	108.3	55%	0.55	65%	0.654	S	S	.	*	H	α-helix	trans	-84.9	-21.5	-175	-91.1	143.1	0	0	0	114.8	T16 F49	T16-L18 VanDerWaalsContact C-N 3.31Å; T16-L18 PolarHBondContact O-N 3.47Å; L18-F49 HydrophobicContact CD2-CZ 3.86Å
19	F	43.3	Very low	41.2	Very low	154 Å²	154	100.9 Å²	100.9	68%	0.675	63%	0.626	S	S	*	*	H	α-helix	trans	-99.3	-24.5	-178.2	-88.2	-88.4	0	0	0	113.9	K22	F19-K22 PolarHBondContact O-N 3.15Å
20	G	43.7	Very low	42.5	Very low	53 Å²	53	96 Å²	96	55%	0.546	61%	0.605	S	S	.	*	H	α-helix	trans	-69	-31.4	178.5	0	0	0	0	0	114.3
21	A	43.9	Very low	43.8	Very low	62 Å²	62	103.3 Å²	103.3	51%	0.512	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-26.5	177.4	0	0	0	0	0	113	A24	A21-A24 PolarHBondContact O-N 3.15Å
22	K	42.8	Very low	45.5	Very low	126 Å²	126	100.2 Å²	100.2	55%	0.548	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-70.2	-35.4	-178.5	-112.7	-178.8	177.7	-178.4	0	113.3	F19 A24	F19-K22 PolarHBondContact O-N 3.15Å; K22-A24 PolarHBondContact O-N 3.36Å
23	A	45.1	Very low	47.1	Very low	79 Å²	79	98 Å²	98	65%	0.653	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-73.9	-16.6	179.3	0	0	0	0	0	113.2
24	A	47	Very low	48.4	Very low	28 Å²	28	97 Å²	97	23%	0.231	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-96.8	-5.9	-174.1	0	0	0	0	0	112.9	A21 K22 W29	A21-A24 PolarHBondContact O-N 3.15Å; K22-A24 PolarHBondContact O-N 3.36Å; A24-W29 HydrophobicContact CB-CH2 4.23Å; A24-W29 HydrophobicContact CB-CZ2 3.77Å; A24-W29 WeakPolarHBondContact O-CZ2 3.47Å; A24-W29 PolarHBondContact O-NE1 2.88Å
25	W	48.5	Very low	50.2	Low	144 Å²	144	99 Å²	99	55%	0.545	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.4	-1.2	-172.9	-124.2	65.1	0	0	0	115.6	A46 L57	W25-A46 HydrophobicContact CZ2-CB 4.37Å; W25-L57 HydrophobicContact CE3-CD2 4.41Å; W25-L57 HydrophobicContact CZ3-CD2 4.1Å
26	S	47.9	Very low	52.1	Low	109 Å²	109	100.7 Å²	100.7	76%	0.762	56%	0.562	S	S	*	*	S	Bend	trans	-93.7	-4	164.7	60.6	0	0	0	0	113.3
27	A	46.4	Very low	53.7	Low	52 Å²	52	103.3 Å²	103.3	43%	0.43	58%	0.58	S	S	.	*	S	Bend	trans	-91.8	125.3	176.1	0	0	0	0	0	109.8	W29	A27-W29 VanDerWaalsContact C-N 3.34Å; A27-W29 PolarHBondContact O-N 3.35Å
28	D	52.2	Low	55.3	Low	172 Å²	172	103.8 Å²	103.8	92%	0.92	57%	0.565	S	S	*	*			trans	-63.3	96.8	167.3	-140.3	-1.5	0	0	0	107.2	S30	D28-S30 PolarHBondContact O-N 3.2Å
29	W	57.1	Low	56.6	Low	85 Å²	85	99.7 Å²	99.7	32%	0.322	54%	0.543	S	S	.	.			trans	-61.1	128.2	-175	-71.3	96.4	0	0	0	109.8	A24 A27 D33 F39	A24-W29 HydrophobicContact CB-CH2 4.23Å; A24-W29 HydrophobicContact CB-CZ2 3.77Å; A24-W29 WeakPolarHBondContact O-CZ2 3.47Å; A24-W29 PolarHBondContact O-NE1 2.88Å; A27-W29 VanDerWaalsContact C-N 3.34Å; A27-W29 PolarHBondContact O-N 3.35Å; W29-D33 HydrophobicContact CB-CB 4.3Å; W29-D33 HydrophobicContact CD2-CB 4.35Å; W29-D33 HydrophobicContact CE3-CB 3.57Å; W29-D33 HydrophobicContact CZ3-CB 4.28Å; W29-F39 HydrophobicContact CB-CE2 4.4Å; W29-F39 HydrophobicContact CD2-CE2 4.27Å; W29-F39 HydrophobicContact CG-CE2 4.09Å; W29-F39 HydrophobicContact CG-CZ 4.5Å
30	S	57.2	Low	58.1	Low	63 Å²	63	97.9 Å²	97.9	44%	0.441	54%	0.54	S	S	.	.			trans	-60	152.2	179	76.2	0	0	0	0	110.1	D28 G32 D33	D28-S30 PolarHBondContact O-N 3.2Å; S30-G32 PolarHBondContact O-N 3.44Å; S30-G32 PolarHBondContact OG-N 3.31Å; S30-D33 WeakPolarHBondContact CB-OD2 3.48Å; S30-D33 PolarHBondContact N-OD2 3.1Å; S30-D33 VanDerWaalsContact N-OD2 3.15Å; S30-D33 PolarHBondContact O-N 2.94Å; S30-D33 VanDerWaalsContact OG-CG 3.3Å; S30-D33 PolarHBondContact OG-N 3.46Å; S30-D33 PolarHBondContact OG-OD2 3.3Å
31	R	58.8	Low	59.6	Low	225 Å²	225	101.3 Å²	101.3	85%	0.849	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-19.9	174.1	-75.6	-174.6	-174.9	-179.1	2	113.1
32	G	66	Low	60.8	Low	46 Å²	46	101.4 Å²	101.4	47%	0.474	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-40.4	175.2	0	0	0	0	0	113.4	S30 Q34 K35	S30-G32 PolarHBondContact O-N 3.44Å; S30-G32 PolarHBondContact OG-N 3.31Å; G32-Q34 VanDerWaalsContact C-N 3.27Å; G32-Q34 PolarHBondContact O-N 2.91Å; G32-K35 PolarHBondContact O-N 3.35Å; G32-K35 VanDerWaalsContact O-N 3.15Å
33	D	62.1	Low	62.1	Low	50 Å²	50	100 Å²	100	27%	0.267	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-68.4	-30.4	-176.9	-59.3	-50.1	0	0	0	112	W29 S30 K35 L36 F39	W29-D33 HydrophobicContact CB-CB 4.3Å; W29-D33 HydrophobicContact CD2-CB 4.35Å; W29-D33 HydrophobicContact CE3-CB 3.57Å; W29-D33 HydrophobicContact CZ3-CB 4.28Å; S30-D33 WeakPolarHBondContact CB-OD2 3.48Å; S30-D33 PolarHBondContact N-OD2 3.1Å; S30-D33 VanDerWaalsContact N-OD2 3.15Å; S30-D33 PolarHBondContact O-N 2.94Å; S30-D33 VanDerWaalsContact OG-CG 3.3Å; S30-D33 PolarHBondContact OG-N 3.46Å; S30-D33 PolarHBondContact OG-OD2 3.3Å; D33-K35 PolarHBondContact O-N 3.02Å; D33-K35 VanDerWaalsContact O-N 3.15Å; D33-L36 PolarHBondContact O-N 3.45Å; D33-F39 WeakPolarHBondContact O-CD2 3.23Å
34	Q	62.3	Low	63.5	Low	109 Å²	109	99.5 Å²	99.5	51%	0.509	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-65.4	-13.9	176.2	-58.4	-172.4	-1.8	0	0	113.8	G32 F39	G32-Q34 VanDerWaalsContact C-N 3.27Å; G32-Q34 PolarHBondContact O-N 2.91Å; Q34-F39 HydrophobicContact CB-CD1 4.3Å; Q34-F39 HydrophobicContact CB-CE1 3.97Å; Q34-F39 HydrophobicContact CB-CZ 4.32Å; Q34-F39 HydrophobicContact CG-CE1 3.79Å; Q34-F39 HydrophobicContact CG-CE2 4.43Å; Q34-F39 HydrophobicContact CG-CZ 3.75Å
35	K	70	Confident	64.8	Low	182 Å²	182	103.5 Å²	103.5	79%	0.791	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-94	-4.1	178.8	-64.7	-173.6	177.5	-175.8	0	113.5	G32 D33	G32-K35 PolarHBondContact O-N 3.35Å; G32-K35 VanDerWaalsContact O-N 3.15Å; D33-K35 PolarHBondContact O-N 3.02Å; D33-K35 VanDerWaalsContact O-N 3.15Å
36	L	71.9	Confident	65.6	Low	102 Å²	102	97.6 Å²	97.6	53%	0.534	52%	0.518	S	S	.	.	S	Bend	trans	-73.1	137.7	-179.2	-69.5	169.2	0	0	0	110.6	D33 F38 F39	D33-L36 PolarHBondContact O-N 3.45Å; L36-F38 PolarHBondContact O-N 2.93Å; L36-F39 VanDerWaalsContact O-CB 3.23Å; L36-F39 WeakPolarHBondContact O-CB 3.4Å; L36-F39 PolarHBondContact O-N 3.44Å
37	P	72.9	Confident	66.7	Low	129 Å²	129	96.8 Å²	96.8	84%	0.838	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.2	-176.5	-24	32	0	0	0	114.5
38	F	76.9	Confident	68.1	Low	104 Å²	104	97.7 Å²	97.7	46%	0.456	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.7	-179.8	179.4	-118.4	0	0	0	113.4	L36 D40 Q41 L42	L36-F38 PolarHBondContact O-N 2.93Å; F38-D40 VanDerWaalsContact C-N 3.3Å; F38-D40 PolarHBondContact O-N 3.28Å; F38-Q41 HydrophobicContact CD2-CB 3.73Å; F38-Q41 HydrophobicContact CD2-CG 4.47Å; F38-Q41 VanDerWaalsContact CD2-OE1 3.26Å; F38-Q41 HydrophobicContact CE2-CB 3.8Å; F38-Q41 WeakPolarHBondContact O-CB 3.33Å; F38-Q41 PolarHBondContact O-N 3.35Å; F38-Q41 VanDerWaalsContact O-N 3.1Å; F38-L42 HydrophobicContact CD1-CD1 3.42Å; F38-L42 VanDerWaalsContact CD1-CD1 3.42Å; F38-L42 HydrophobicContact CD1-CD2 4.47Å; F38-L42 HydrophobicContact CD1-CG 3.62Å; F38-L42 HydrophobicContact CE1-CD1 3.36Å; F38-L42 HydrophobicContact CE1-CD2 3.6Å; F38-L42 HydrophobicContact CE1-CG 3.19Å; F38-L42 HydrophobicContact CE2-CG 4.49Å; F38-L42 HydrophobicContact CG-CD1 4.47Å; F38-L42 HydrophobicContact CG-CG 4.46Å; F38-L42 HydrophobicContact CZ-CD1 4.32Å; F38-L42 HydrophobicContact CZ-CD2 3.89Å; F38-L42 HydrophobicContact CZ-CG 3.67Å; F38-L42 PolarHBondContact O-N 3.35Å
39	F	73.5	Confident	68.7	Low	20 Å²	20	92.8 Å²	92.8	9%	0.088	48%	0.476	C	S	.	.	H	α-helix	trans	-62.1	-36.8	-174.2	-165.7	-108.2	0	0	0	112.6	W29 D33 Q34 L36 L42 K43	W29-F39 HydrophobicContact CB-CE2 4.4Å; W29-F39 HydrophobicContact CD2-CE2 4.27Å; W29-F39 HydrophobicContact CG-CE2 4.09Å; W29-F39 HydrophobicContact CG-CZ 4.5Å; D33-F39 WeakPolarHBondContact O-CD2 3.23Å; Q34-F39 HydrophobicContact CB-CD1 4.3Å; Q34-F39 HydrophobicContact CB-CE1 3.97Å; Q34-F39 HydrophobicContact CB-CZ 4.32Å; Q34-F39 HydrophobicContact CG-CE1 3.79Å; Q34-F39 HydrophobicContact CG-CE2 4.43Å; Q34-F39 HydrophobicContact CG-CZ 3.75Å; L36-F39 VanDerWaalsContact O-CB 3.23Å; L36-F39 WeakPolarHBondContact O-CB 3.4Å; L36-F39 PolarHBondContact O-N 3.44Å; F39-L42 PolarHBondContact O-N 3Å; F39-K43 HydrophobicContact CD1-CD 4.05Å; F39-K43 HydrophobicContact CD1-CG 4.43Å; F39-K43 HydrophobicContact CE1-CD 3.94Å; F39-K43 HydrophobicContact CE1-CG 4.31Å; F39-K43 PolarHBondContact O-N 3.31Å
40	D	73.8	Confident	69.1	Low	116 Å²	116	90.9 Å²	90.9	62%	0.62	47%	0.472	S	S	*	.	H	α-helix	trans	-70.3	-34	176.7	-70.1	-31.5	0	0	0	112.5	F38 K43 S44	F38-D40 VanDerWaalsContact C-N 3.3Å; F38-D40 PolarHBondContact O-N 3.28Å; D40-K43 PolarHBondContact O-N 2.75Å; D40-S44 WeakPolarHBondContact O-CB 3.44Å; D40-S44 PolarHBondContact O-N 2.92Å
41	Q	74.5	Confident	69.7	Low	124 Å²	124	96.7 Å²	96.7	58%	0.579	49%	0.489	S	S	*	.	H	α-helix	trans	-66.6	-41.9	172.2	-75.9	-173.3	-8.7	0	0	111.4	F38 S44 L45	F38-Q41 HydrophobicContact CD2-CB 3.73Å; F38-Q41 HydrophobicContact CD2-CG 4.47Å; F38-Q41 VanDerWaalsContact CD2-OE1 3.26Å; F38-Q41 HydrophobicContact CE2-CB 3.8Å; F38-Q41 WeakPolarHBondContact O-CB 3.33Å; F38-Q41 PolarHBondContact O-N 3.35Å; F38-Q41 VanDerWaalsContact O-N 3.1Å; Q41-S44 PolarHBondContact O-N 2.65Å; Q41-L45 WeakPolarHBondContact O-CB 2.92Å; Q41-L45 PolarHBondContact O-N 3.35Å
42	L	71	Confident	70.3	Confident	65 Å²	65	91 Å²	91	34%	0.34	48%	0.475	S	S	.	.	H	α-helix	trans	-60.7	-45.6	173.4	-83.4	166.2	0	0	0	112.1	F38 F39 S44 L45 A46	F38-L42 HydrophobicContact CD1-CD1 3.42Å; F38-L42 VanDerWaalsContact CD1-CD1 3.42Å; F38-L42 HydrophobicContact CD1-CD2 4.47Å; F38-L42 HydrophobicContact CD1-CG 3.62Å; F38-L42 HydrophobicContact CE1-CD1 3.36Å; F38-L42 HydrophobicContact CE1-CD2 3.6Å; F38-L42 HydrophobicContact CE1-CG 3.19Å; F38-L42 HydrophobicContact CE2-CG 4.49Å; F38-L42 HydrophobicContact CG-CD1 4.47Å; F38-L42 HydrophobicContact CG-CG 4.46Å; F38-L42 HydrophobicContact CZ-CD1 4.32Å; F38-L42 HydrophobicContact CZ-CD2 3.89Å; F38-L42 HydrophobicContact CZ-CG 3.67Å; F38-L42 PolarHBondContact O-N 3.35Å; F39-L42 PolarHBondContact O-N 3Å; L42-S44 VanDerWaalsContact C-N 3.33Å; L42-S44 PolarHBondContact O-N 3.15Å; L42-L45 PolarHBondContact O-N 3.21Å; L42-A46 WeakPolarHBondContact O-CB 2.92Å; L42-A46 PolarHBondContact O-N 3.23Å
43	K	69.6	Low	70.2	Confident	96 Å²	96	92.8 Å²	92.8	42%	0.417	47%	0.469	S	S	.	.	H	α-helix	trans	-59	-43.9	175.2	-84.9	178.7	168.2	167.9	0	111.9	F39 D40 A46 N47	F39-K43 HydrophobicContact CD1-CD 4.05Å; F39-K43 HydrophobicContact CD1-CG 4.43Å; F39-K43 HydrophobicContact CE1-CD 3.94Å; F39-K43 HydrophobicContact CE1-CG 4.31Å; F39-K43 PolarHBondContact O-N 3.31Å; D40-K43 PolarHBondContact O-N 2.75Å; K43-A46 PolarHBondContact O-N 3.29Å; K43-N47 WeakPolarHBondContact O-CB 3.47Å; K43-N47 PolarHBondContact O-N 2.78Å; K43-N47 PolarHBondContact O-ND2 3.17Å
44	S	74.2	Confident	69.9	Low	69 Å²	69	95 Å²	95	48%	0.483	49%	0.486	S	S	.	.	H	α-helix	trans	-62.6	-45.1	177.4	178.7	0	0	0	0	112	D40 Q41 L42 N47 T48	D40-S44 WeakPolarHBondContact O-CB 3.44Å; D40-S44 PolarHBondContact O-N 2.92Å; Q41-S44 PolarHBondContact O-N 2.65Å; L42-S44 VanDerWaalsContact C-N 3.33Å; L42-S44 PolarHBondContact O-N 3.15Å; S44-N47 PolarHBondContact O-N 2.92Å; S44-T48 WeakPolarHBondContact O-CB 3.41Å; S44-T48 PolarHBondContact O-N 3.12Å; S44-T48 PolarHBondContact O-OG1 3.45Å
45	L	74.1	Confident	69.7	Low	111 Å²	111	93.9 Å²	93.9	58%	0.581	49%	0.491	S	S	*	.	H	α-helix	trans	-61.8	-46.3	175.7	-109.1	147.1	0	0	0	111.7	Q41 L42 T48 F49	Q41-L45 WeakPolarHBondContact O-CB 2.92Å; Q41-L45 PolarHBondContact O-N 3.35Å; L42-L45 PolarHBondContact O-N 3.21Å; L45-T48 PolarHBondContact O-N 3.35Å; L45-F49 WeakPolarHBondContact O-CB 3.3Å; L45-F49 PolarHBondContact O-N 3.19Å
46	A	65.7	Low	68.8	Low	20 Å²	20	88.6 Å²	88.6	17%	0.165	47%	0.47	C	S	.	.	H	α-helix	trans	-61.2	-46.2	176.5	0	0	0	0	0	111.5	W25 L42 K43 T48 F49 N50	W25-A46 HydrophobicContact CZ2-CB 4.37Å; L42-A46 WeakPolarHBondContact O-CB 2.92Å; L42-A46 PolarHBondContact O-N 3.23Å; K43-A46 PolarHBondContact O-N 3.29Å; A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 PolarHBondContact O-N 3.46Å; A46-F49 PolarHBondContact O-N 2.83Å; A46-N50 WeakPolarHBondContact O-CB 3.36Å; A46-N50 PolarHBondContact O-N 3.24Å; A46-N50 PolarHBondContact O-OD1 3.39Å; A46-N50 VanDerWaalsContact O-OD1 3.12Å
47	N	71.1	Confident	67.5	Low	92 Å²	92	87.7 Å²	87.7	49%	0.492	47%	0.465	S	S	.	.	H	α-helix	trans	-61.8	-36.4	176.5	-75	-20.1	0	0	0	112.5	K43 S44 K51	K43-N47 WeakPolarHBondContact O-CB 3.47Å; K43-N47 PolarHBondContact O-N 2.78Å; K43-N47 PolarHBondContact O-ND2 3.17Å; S44-N47 PolarHBondContact O-N 2.92Å; N47-K51 WeakPolarHBondContact O-CG 3.31Å; N47-K51 PolarHBondContact O-N 2.85Å
48	T	74.3	Confident	66.2	Low	72 Å²	72	85.6 Å²	85.6	44%	0.442	45%	0.454	S	S	.	.	H	α-helix	trans	-68.8	-43.6	175.3	-55.9	0	0	0	0	110.7	S44 L45 A46 N50 K51 I52	S44-T48 WeakPolarHBondContact O-CB 3.41Å; S44-T48 PolarHBondContact O-N 3.12Å; S44-T48 PolarHBondContact O-OG1 3.45Å; L45-T48 PolarHBondContact O-N 3.35Å; A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 PolarHBondContact O-N 3.46Å; T48-N50 VanDerWaalsContact C-N 3.34Å; T48-N50 PolarHBondContact O-N 2.92Å; T48-K51 PolarHBondContact O-N 3.32Å; T48-I52 HydrophobicContact CG2-CD1 3.87Å; T48-I52 VanDerWaalsContact O-CG1 3.31Å; T48-I52 WeakPolarHBondContact O-CG1 3.42Å; T48-I52 PolarHBondContact O-N 2.79Å; T48-I52 VanDerWaalsContact O-N 3.14Å
49	F	66.2	Low	64.8	Low	69 Å²	69	84.4 Å²	84.4	30%	0.303	46%	0.464	S	S	.	.	H	α-helix	trans	-62.9	-41.1	176.8	-148	-90.2	0	0	0	111.8	L18 L45 A46 K51 I52 F53	L18-F49 HydrophobicContact CD2-CZ 3.86Å; L45-F49 WeakPolarHBondContact O-CB 3.3Å; L45-F49 PolarHBondContact O-N 3.19Å; A46-F49 PolarHBondContact O-N 2.83Å; F49-K51 VanDerWaalsContact C-N 3.27Å; F49-K51 PolarHBondContact O-N 2.93Å; F49-I52 PolarHBondContact O-N 3.14Å; F49-I52 VanDerWaalsContact O-N 3.17Å; F49-F53 HydrophobicContact CD1-CD2 4.1Å; F49-F53 HydrophobicContact CE1-CB 4.42Å; F49-F53 AromaticContact CE1-CD2 3.73Å; F49-F53 HydrophobicContact CE1-CD2 3.73Å; F49-F53 HydrophobicContact CE1-CE2 4.42Å; F49-F53 HydrophobicContact CE1-CG 4.37Å; F49-F53 HydrophobicContact CE2-CD2 4.23Å; F49-F53 HydrophobicContact CE2-CE2 4.25Å; F49-F53 HydrophobicContact CG-CD2 4.49Å; F49-F53 AromaticContact CZ-CD2 3.8Å; F49-F53 HydrophobicContact CZ-CD2 3.8Å; F49-F53 HydrophobicContact CZ-CE2 4.02Å; F49-F53 PolarHBondContact O-N 2.84Å
50	N	64.5	Low	63.4	Low	45 Å²	45	94.2 Å²	94.2	24%	0.241	50%	0.5	C	S	.	.	H	α-helix	trans	-61.3	-34.2	176.1	-67.5	-3.5	0	0	0	112.4	A46 T48 L57	A46-N50 WeakPolarHBondContact O-CB 3.36Å; A46-N50 PolarHBondContact O-N 3.24Å; A46-N50 PolarHBondContact O-OD1 3.39Å; A46-N50 VanDerWaalsContact O-OD1 3.12Å; T48-N50 VanDerWaalsContact C-N 3.34Å; T48-N50 PolarHBondContact O-N 2.92Å; N50-L57 HydrophobicContact CB-CD1 3.86Å; N50-L57 VanDerWaalsContact CG-CD1 3.48Å; N50-L57 WeakPolarHBondContact OD1-CD1 3.46Å; N50-L57 VanDerWaalsContact OD1-CD2 3.3Å; N50-L57 WeakPolarHBondContact OD1-CD2 3.5Å
51	K	69.7	Low	62.3	Low	184 Å²	184	92.4 Å²	92.4	80%	0.8	50%	0.501	S	S	*	.	H	α-helix	trans	-73.6	-34.6	175.6	-76.5	-178.9	178.8	-178.3	0	112.9	N47 T48 F49	N47-K51 WeakPolarHBondContact O-CG 3.31Å; N47-K51 PolarHBondContact O-N 2.85Å; T48-K51 PolarHBondContact O-N 3.32Å; F49-K51 VanDerWaalsContact C-N 3.27Å; F49-K51 PolarHBondContact O-N 2.93Å
52	I	71.7	Confident	61.1	Low	106 Å²	106	94.1 Å²	94.1	54%	0.544	51%	0.513	S	S	.	.	H	α-helix	trans	-82.1	-35.2	-176	-62	166.3	0	0	0	111	T48 F49 P54	T48-I52 HydrophobicContact CG2-CD1 3.87Å; T48-I52 VanDerWaalsContact O-CG1 3.31Å; T48-I52 WeakPolarHBondContact O-CG1 3.42Å; T48-I52 PolarHBondContact O-N 2.79Å; T48-I52 VanDerWaalsContact O-N 3.14Å; F49-I52 PolarHBondContact O-N 3.14Å; F49-I52 VanDerWaalsContact O-N 3.17Å; I52-P54 WeakPolarHBondContact O-CD 3.42Å
53	F	63.9	Low	59.7	Low	84 Å²	84	96 Å²	96	37%	0.368	53%	0.53	S	S	.	.			trans	-128.4	65.7	-175.1	-64.1	-75.3	0	0	0	112.5	F49 S55 I56	F49-F53 HydrophobicContact CD1-CD2 4.1Å; F49-F53 HydrophobicContact CE1-CB 4.42Å; F49-F53 AromaticContact CE1-CD2 3.73Å; F49-F53 HydrophobicContact CE1-CD2 3.73Å; F49-F53 HydrophobicContact CE1-CE2 4.42Å; F49-F53 HydrophobicContact CE1-CG 4.37Å; F49-F53 HydrophobicContact CE2-CD2 4.23Å; F49-F53 HydrophobicContact CE2-CE2 4.25Å; F49-F53 HydrophobicContact CG-CD2 4.49Å; F49-F53 AromaticContact CZ-CD2 3.8Å; F49-F53 HydrophobicContact CZ-CD2 3.8Å; F49-F53 HydrophobicContact CZ-CE2 4.02Å; F49-F53 PolarHBondContact O-N 2.84Å; F53-S55 PolarHBondContact O-N 2.98Å; F53-S55 VanDerWaalsContact O-N 3.16Å; F53-I56 HydrophobicContact CB-CB 3.89Å; F53-I56 HydrophobicContact CB-CD1 3.61Å; F53-I56 HydrophobicContact CB-CG1 3.77Å; F53-I56 HydrophobicContact CD1-CD1 3.52Å; F53-I56 HydrophobicContact CD1-CG1 4.31Å; F53-I56 HydrophobicContact CD2-CD1 4.44Å; F53-I56 HydrophobicContact CE1-CD1 4.29Å; F53-I56 HydrophobicContact CG-CD1 3.62Å; F53-I56 HydrophobicContact CG-CG1 4.31Å; F53-I56 PolarHBondContact O-N 3Å
54	P	57	Low	58.8	Low	96 Å²	96	94 Å²	94	62%	0.623	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.2	-177.5	23.8	-33	0	0	0	112.8	I52	I52-P54 WeakPolarHBondContact O-CD 3.42Å
55	S	56.4	Low	58	Low	86 Å²	86	99.9 Å²	99.9	60%	0.601	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-22.8	177.2	55	0	0	0	0	113.7	F53 S58	F53-S55 PolarHBondContact O-N 2.98Å; F53-S55 VanDerWaalsContact O-N 3.16Å; S55-S58 PolarHBondContact O-N 3.3Å; S55-S58 PolarHBondContact O-OG 3.26Å
56	I	52.9	Low	57.6	Low	71 Å²	71	102.1 Å²	102.1	36%	0.364	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-78	-20.3	-177.5	-62.5	-175.7	0	0	0	111.9	F53 S58	F53-I56 HydrophobicContact CB-CB 3.89Å; F53-I56 HydrophobicContact CB-CD1 3.61Å; F53-I56 HydrophobicContact CB-CG1 3.77Å; F53-I56 HydrophobicContact CD1-CD1 3.52Å; F53-I56 HydrophobicContact CD1-CG1 4.31Å; F53-I56 HydrophobicContact CD2-CD1 4.44Å; F53-I56 HydrophobicContact CE1-CD1 4.29Å; F53-I56 HydrophobicContact CG-CD1 3.62Å; F53-I56 HydrophobicContact CG-CG1 4.31Å; F53-I56 PolarHBondContact O-N 3Å; I56-S58 VanDerWaalsContact C-N 3.35Å
57	L	44.8	Very low	57.9	Low	82 Å²	82	106.1 Å²	106.1	43%	0.429	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-85.3	-3.5	170.8	-75.3	110.2	0	0	0	114.6	W25 N50 A59	W25-L57 HydrophobicContact CE3-CD2 4.41Å; W25-L57 HydrophobicContact CZ3-CD2 4.1Å; N50-L57 HydrophobicContact CB-CD1 3.86Å; N50-L57 VanDerWaalsContact CG-CD1 3.48Å; N50-L57 WeakPolarHBondContact OD1-CD1 3.46Å; N50-L57 VanDerWaalsContact OD1-CD2 3.3Å; N50-L57 WeakPolarHBondContact OD1-CD2 3.5Å; L57-A59 PolarHBondContact O-N 3.21Å
58	S	45.7	Very low	58.3	Low	85 Å²	85	106.2 Å²	106.2	59%	0.594	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-86.8	15.5	178.5	75.9	0	0	0	0	114	S55 I56 R60	S55-S58 PolarHBondContact O-N 3.3Å; S55-S58 PolarHBondContact O-OG 3.26Å; I56-S58 VanDerWaalsContact C-N 3.35Å; S58-R60 PolarHBondContact O-N 3.13Å
59	A	46.8	Very low	58.7	Low	80 Å²	80	109.7 Å²	109.7	66%	0.661	61%	0.605	S	S	*	*			trans	-69.1	66.5	163.1	0	0	0	0	0	109.2	L57 A61	L57-A59 PolarHBondContact O-N 3.21Å; A59-A61 PolarHBondContact O-N 3.24Å
60	R	44.6	Very low	59.7	Low	225 Å²	225	113.8 Å²	113.8	85%	0.849	63%	0.625	S	S	*	*			trans	-50.9	123.1	150	-77.2	-177.3	173.9	179.6	-2.2	104.1	S58 I62	S58-R60 PolarHBondContact O-N 3.13Å; R60-I62 PolarHBondContact O-N 3.13Å; R60-I62 VanDerWaalsContact O-N 3.1Å
61	A	50	Low	61.1	Low	78 Å²	78	116.7 Å²	116.7	65%	0.645	65%	0.647	S	S	*	*			trans	-43.2	129.2	156.9	0	0	0	0	0	105.1	A59 C63	A59-A61 PolarHBondContact O-N 3.24Å; A61-C63 PolarHBondContact O-N 3.16Å
62	I	48.3	Very low	62.3	Low	161 Å²	161	111.2 Å²	111.2	83%	0.826	62%	0.621	S	S	*	*			trans	-66.2	75.6	168.1	-59.7	165.9	0	0	0	104.1	R60 S64	R60-I62 PolarHBondContact O-N 3.13Å; R60-I62 VanDerWaalsContact O-N 3.1Å; I62-S64 PolarHBondContact O-N 3.02Å
63	C	43	Very low	63.5	Low	103 Å²	103	110.2 Å²	110.2	70%	0.696	62%	0.617	S	S	*	*			trans	-68	76.6	146.6	-64.5	0	0	0	0	102.4	A61 E65	A61-C63 PolarHBondContact O-N 3.16Å; C63-E65 VanDerWaalsContact C-N 3.35Å; C63-E65 PolarHBondContact O-N 2.88Å
64	S	51	Low	65	Low	56 Å²	56	112.2 Å²	112.2	39%	0.392	62%	0.622	S	S	.	*			trans	-48.5	115.8	154.3	47.9	0	0	0	0	104	I62 N66 V67	I62-S64 PolarHBondContact O-N 3.02Å; S64-N66 PolarHBondContact O-N 3.12Å; S64-V67 PolarHBondContact O-N 3.19Å; S64-V67 WeakPolarHBondContact OG-CG2 3.46Å
65	E	57.1	Low	66.9	Low	192 Å²	192	110 Å²	110	90%	0.897	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	5	-167.9	-68.8	176.1	158.8	0	0	113.4	C63	C63-E65 VanDerWaalsContact C-N 3.35Å; C63-E65 PolarHBondContact O-N 2.88Å
66	N	65.4	Low	68.7	Low	158 Å²	158	107.1 Å²	107.1	85%	0.845	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	15	-176.4	-65.9	-32.5	0	0	0	115.5	S64 S68	S64-N66 PolarHBondContact O-N 3.12Å; N66-S68 PolarHBondContact O-N 3.28Å
67	V	72.2	Confident	70.8	Confident	103 Å²	103	105.1 Å²	105.1	62%	0.624	57%	0.571	S	S	*	*			trans	-81.9	98.6	171.8	172.6	0	0	0	0	109.9	S64 I69	S64-V67 PolarHBondContact O-N 3.19Å; S64-V67 WeakPolarHBondContact OG-CG2 3.46Å; V67-I69 PolarHBondContact O-N 3.17Å
68	S	79.8	Confident	73	Confident	95 Å²	95	103.4 Å²	103.4	66%	0.664	57%	0.573	S	S	*	*			trans	-69.4	103.4	169.3	177.2	0	0	0	0	109.7	N66 Q70	N66-S68 PolarHBondContact O-N 3.28Å; S68-Q70 PolarHBondContact O-N 3.17Å
69	I	82.1	Confident	75.1	Confident	145 Å²	145	103.3 Å²	103.3	74%	0.744	56%	0.56	S	S	*	*			trans	-71.5	113.9	170.4	-60.7	173.2	0	0	0	107.5	V67 P71	V67-I69 PolarHBondContact O-N 3.17Å; I69-P71 VanDerWaalsContact O-CD 3.27Å; I69-P71 WeakPolarHBondContact O-CD 3.29Å
70	Q	87.1	Confident	77	Confident	154 Å²	154	100.9 Å²	100.9	72%	0.72	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-65.8	119.7	171.3	-68.6	-62.8	-25	0	0	108.8	S68	S68-Q70 PolarHBondContact O-N 3.17Å
71	P	93.4	Very high	78.5	Confident	107 Å²	107	91.3 Å²	91.3	70%	0.695	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-61.8	151.4	174.6	-21.2	33.9	0	0	0	110.8	I69 D73	I69-P71 VanDerWaalsContact O-CD 3.27Å; I69-P71 WeakPolarHBondContact O-CD 3.29Å; P71-D73 PolarHBondContact O-N 2.98Å
72	W	96.2	Very high	79.7	Confident	69 Å²	69	90.2 Å²	90.2	26%	0.261	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-61.4	122.9	173.8	-178.6	-93.9	0	0	0	110.7	W74 W76 A243 Q245 G270 V272	W72-W74 AromaticContact CD1-CD2 3.64Å; W72-W74 AromaticContact CD1-CE2 3.76Å; W72-W74 AromaticContact CD1-CG 3.89Å; W72-W74 VanDerWaalsContact O-CD1 3.27Å; W72-W74 PolarHBondContact O-N 2.7Å; W72-W76 AromaticContact CZ2-CD1 3.71Å; W72-W76 HydrophobicContact CZ2-CG 4.49Å; W72-W76 AromaticContact CZ2-NE1 3.66Å; W72-W76 AromaticContact NE1-CD1 3.98Å; W72-A243 WeakPolarHBondContact CH2-O 3.43Å; W72-Q245 VanDerWaalsContact CE2-NE2 3.33Å; W72-Q245 HydrophobicContact CE3-CB 4.24Å; W72-Q245 VanDerWaalsContact CE3-CD 3.43Å; W72-Q245 HydrophobicContact CE3-CG 3.92Å; W72-Q245 HydrophobicContact CH2-CG 4.02Å; W72-Q245 HydrophobicContact CZ3-CB 4.06Å; W72-Q245 HydrophobicContact CZ3-CG 3.64Å; W72-G270 WeakPolarHBondContact CZ2-O 3.49Å; W72-V272 HydrophobicContact CH2-CB 3.94Å; W72-V272 HydrophobicContact CH2-CG2 3.94Å; W72-V272 HydrophobicContact CZ2-CB 4.43Å; W72-V272 HydrophobicContact CZ2-CG2 4.08Å
73	D	96.6	Very high	80.6	Confident	85 Å²	85	86.2 Å²	86.2	46%	0.455	47%	0.471	S	S	.	.			trans	-71.5	110.6	168.2	175.9	11.8	0	0	0	109.2	P71 D75 W76 Q245	P71-D73 PolarHBondContact O-N 2.98Å; D73-D75 PolarHBondContact O-N 3.1Å; D73-D75 PolarHBondContact OD1-N 3.17Å; D73-W76 HydrophobicContact CB-CB 4.42Å; D73-W76 VanDerWaalsContact O-CD1 3.27Å; D73-W76 WeakPolarHBondContact OD2-CA 3.27Å; D73-W76 PolarHBondContact OD2-N 2.63Å; D73-Q245 PolarHBondContact O-NE2 2.93Å
74	W	95.6	Very high	81.6	Confident	126 Å²	126	88.2 Å²	88.2	48%	0.477	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-6.7	-179.5	-71.6	92.9	0	0	0	113.9	W72 N80 R216 R271	W72-W74 AromaticContact CD1-CD2 3.64Å; W72-W74 AromaticContact CD1-CE2 3.76Å; W72-W74 AromaticContact CD1-CG 3.89Å; W72-W74 VanDerWaalsContact O-CD1 3.27Å; W72-W74 PolarHBondContact O-N 2.7Å; W74-N80 WeakPolarHBondContact CB-ND2 3.41Å; W74-N80 PolarHBondContact O-ND2 2.87Å; W74-N80 VanDerWaalsContact O-ND2 3.16Å; W74-R216 PolarHBondContact O-NH2 2.99Å; W74-R271 HydrophobicContact CH2-CG 3.86Å; W74-R271 HydrophobicContact CZ3-CG 3.86Å
75	D	95.2	Very high	81.9	Confident	48 Å²	48	94.3 Å²	94.3	26%	0.257	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	27	176.8	-165.7	43.8	0	0	0	112.9	D73 D77 G78 R79 N80 N83	D73-D75 PolarHBondContact O-N 3.1Å; D73-D75 PolarHBondContact OD1-N 3.17Å; D75-D77 PolarHBondContact O-N 2.77Å; D75-G78 PolarHBondContact O-N 2.71Å; D75-G78 VanDerWaalsContact OD1-CA 3.24Å; D75-G78 WeakPolarHBondContact OD1-CA 3.41Å; D75-R79 PolarHBondContact OD1-N 3.29Å; D75-R79 VanDerWaalsContact OD1-N 3.15Å; D75-N80 HydrophobicContact CB-CB 3.79Å; D75-N80 WeakPolarHBondContact OD1-CB 3.14Å; D75-N80 PolarHBondContact OD1-N 2.86Å; D75-N83 PolarHBondContact OD1-ND2 3.46Å; D75-N83 VanDerWaalsContact OD1-ND2 3.13Å; D75-N83 PolarHBondContact OD2-ND2 3.01Å
76	W	96	Very high	81.6	Confident	26 Å²	26	91 Å²	91	10%	0.098	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22	-177.1	66.5	-92.9	0	0	0	115.3	W72 D73 F210 I214 I266 G270 V272	W72-W76 AromaticContact CZ2-CD1 3.71Å; W72-W76 HydrophobicContact CZ2-CG 4.49Å; W72-W76 AromaticContact CZ2-NE1 3.66Å; W72-W76 AromaticContact NE1-CD1 3.98Å; D73-W76 HydrophobicContact CB-CB 4.42Å; D73-W76 VanDerWaalsContact O-CD1 3.27Å; D73-W76 WeakPolarHBondContact OD2-CA 3.27Å; D73-W76 PolarHBondContact OD2-N 2.63Å; W76-F210 HydrophobicContact CE3-CE1 4.32Å; W76-F210 HydrophobicContact CE3-CZ 4.04Å; W76-F210 HydrophobicContact CZ3-CE1 4.24Å; W76-F210 AromaticContact CZ3-CZ 3.8Å; W76-F210 HydrophobicContact CZ3-CZ 3.8Å; W76-I214 HydrophobicContact CH2-CG2 4.16Å; W76-I214 HydrophobicContact CZ3-CG2 4.19Å; W76-I214 VanDerWaalsContact CZ3-O 3.29Å; W76-I214 WeakPolarHBondContact CZ3-O 3.09Å; W76-I266 HydrophobicContact CH2-CD1 4.23Å; W76-I266 HydrophobicContact CH2-CG2 4.46Å; W76-I266 HydrophobicContact CZ2-CG2 4.05Å; W76-G270 PolarHBondContact NE1-O 3.16Å; W76-V272 HydrophobicContact CH2-CG2 4.23Å; W76-V272 HydrophobicContact CZ2-CG2 3.64Å
77	D	95.4	Very high	80.7	Confident	29 Å²	29	88.8 Å²	88.8	16%	0.155	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	5.2	177.2	62	-8.3	0	0	0	113.8	D75 R79 H215 R216	D75-D77 PolarHBondContact O-N 2.77Å; D77-R79 PolarHBondContact O-N 3.46Å; D77-R79 PolarHBondContact OD1-N 2.97Å; D77-H215 HydrophobicContact CB-CB 3.92Å; D77-R216 IonicContact OD1-CZ 2.99Å; D77-R216 VanDerWaalsContact OD1-CZ 3.27Å; D77-R216 IonicContact OD1-NE 3.08Å; D77-R216 PolarHBondContact OD1-NE 3.4Å; D77-R216 VanDerWaalsContact OD1-NE 3.09Å; D77-R216 IonicContact OD1-NH2 3.6Å; D77-R216 PolarHBondContact OD1-NH2 3.43Å; D77-R216 VanDerWaalsContact OD2-CB 3.29Å; D77-R216 WeakPolarHBondContact OD2-CB 3.27Å; D77-R216 WeakPolarHBondContact OD2-CG 3.01Å; D77-R216 IonicContact OD2-CZ 3.46Å; D77-R216 PolarHBondContact OD2-N 2.67Å; D77-R216 IonicContact OD2-NE 2.96Å; D77-R216 PolarHBondContact OD2-NE 3.13Å
78	G	91.8	Very high	79.6	Confident	47 Å²	47	90.1 Å²	90.1	49%	0.485	48%	0.478	S	S	.	.	S	Bend	trans	66.9	15.5	-177	0	0	0	0	0	114.5	D75	D75-G78 PolarHBondContact O-N 2.71Å; D75-G78 VanDerWaalsContact OD1-CA 3.24Å; D75-G78 WeakPolarHBondContact OD1-CA 3.41Å
79	R	89.8	Confident	78.3	Confident	82 Å²	82	90.2 Å²	90.2	31%	0.309	48%	0.478	S	S	.	.			trans	-117.3	19.9	-173.6	-65.1	170.1	179	-108.2	5.1	113	D75 D77 P81 H215 D218	D75-R79 PolarHBondContact OD1-N 3.29Å; D75-R79 VanDerWaalsContact OD1-N 3.15Å; D77-R79 PolarHBondContact O-N 3.46Å; D77-R79 PolarHBondContact OD1-N 2.97Å; R79-P81 WeakPolarHBondContact O-CD 3.19Å; R79-H215 PolarHBondContact NE-ND1 3.34Å; R79-H215 PolarHBondContact NH2-CE1 3.32Å; R79-D218 IonicContact CZ-OD1 3.57Å; R79-D218 IonicContact NH1-OD1 2.72Å; R79-D218 PolarHBondContact NH1-OD1 3.01Å; R79-D218 IonicContact NH2-OD1 3.63Å
80	N	86.2	Confident	76.9	Confident	30 Å²	30	89.6 Å²	89.6	16%	0.16	48%	0.476	C	S	.	.			trans	-66.4	126.5	177	-168.8	-19.6	0	0	0	111.1	W74 D75 S82 N83	W74-N80 WeakPolarHBondContact CB-ND2 3.41Å; W74-N80 PolarHBondContact O-ND2 2.87Å; W74-N80 VanDerWaalsContact O-ND2 3.16Å; D75-N80 HydrophobicContact CB-CB 3.79Å; D75-N80 WeakPolarHBondContact OD1-CB 3.14Å; D75-N80 PolarHBondContact OD1-N 2.86Å; N80-S82 PolarHBondContact ND2-OG 3.15Å; N80-S82 PolarHBondContact O-N 2.89Å; N80-S82 PolarHBondContact OD1-N 3.38Å; N80-S82 VanDerWaalsContact OD1-N 3.13Å; N80-S82 PolarHBondContact OD1-OG 3.27Å; N80-S82 VanDerWaalsContact OD1-OG 3.13Å; N80-N83 WeakPolarHBondContact O-CB 3.43Å; N80-N83 PolarHBondContact O-N 2.84Å
81	P	76.9	Confident	75.1	Confident	23 Å²	23	92.2 Å²	92.2	15%	0.149	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-51.4	-28.3	175.2	-30.7	36.9	0	0	0	115.1	R79 N83 F84 I94 T96	R79-P81 WeakPolarHBondContact O-CD 3.19Å; P81-N83 PolarHBondContact O-N 2.96Å; P81-F84 PolarHBondContact O-N 3.3Å; P81-I94 HydrophobicContact CB-CG2 3.86Å; P81-T96 HydrophobicContact CB-CG2 3.77Å; P81-T96 HydrophobicContact CG-CG2 3.61Å
82	S	75.1	Confident	73.3	Confident	56 Å²	56	89.7 Å²	89.7	39%	0.392	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-60.9	-25.5	178.1	58.6	0	0	0	0	113.8	N80 F84 R85	N80-S82 PolarHBondContact ND2-OG 3.15Å; N80-S82 PolarHBondContact O-N 2.89Å; N80-S82 PolarHBondContact OD1-N 3.38Å; N80-S82 VanDerWaalsContact OD1-N 3.13Å; N80-S82 PolarHBondContact OD1-OG 3.27Å; N80-S82 VanDerWaalsContact OD1-OG 3.13Å; S82-F84 VanDerWaalsContact C-N 3.33Å; S82-R85 WeakPolarHBondContact O-CB 3.32Å; S82-R85 VanDerWaalsContact O-CG 3.29Å; S82-R85 WeakPolarHBondContact O-CG 3.1Å
83	N	67.7	Low	71.8	Confident	77 Å²	77	94.9 Å²	94.9	41%	0.412	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-76.7	-20.4	-177.9	-68.2	-7.6	0	0	0	113.3	D75 N80 P81 R85	D75-N83 PolarHBondContact OD1-ND2 3.46Å; D75-N83 VanDerWaalsContact OD1-ND2 3.13Å; D75-N83 PolarHBondContact OD2-ND2 3.01Å; N80-N83 WeakPolarHBondContact O-CB 3.43Å; N80-N83 PolarHBondContact O-N 2.84Å; P81-N83 PolarHBondContact O-N 2.96Å; N83-R85 PolarHBondContact O-N 2.7Å
84	F	62.6	Low	70.3	Confident	144 Å²	144	95.2 Å²	95.2	63%	0.632	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-83.5	9.1	178.9	-58.2	-81.9	0	0	0	112.9	P81 S82 T86	P81-F84 PolarHBondContact O-N 3.3Å; S82-F84 VanDerWaalsContact C-N 3.33Å; F84-T86 VanDerWaalsContact C-N 3.28Å; F84-T86 PolarHBondContact O-N 3.46Å
85	R	58.5	Low	69.4	Low	184 Å²	184	93.5 Å²	93.5	69%	0.694	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	4.9	-176.5	-68.5	-177.2	109.7	178.2	4.8	115.1	S82 N83 D87	S82-R85 WeakPolarHBondContact O-CB 3.32Å; S82-R85 VanDerWaalsContact O-CG 3.29Å; S82-R85 WeakPolarHBondContact O-CG 3.1Å; N83-R85 PolarHBondContact O-N 2.7Å; R85-D87 PolarHBondContact O-N 3.27Å
86	T	50.8	Low	68.8	Low	122 Å²	122	94.1 Å²	94.1	75%	0.748	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.2	-166.1	47.1	0	0	0	0	116.7	F84	F84-T86 VanDerWaalsContact C-N 3.28Å; F84-T86 PolarHBondContact O-N 3.46Å
87	D	45.6	Very low	68.5	Low	112 Å²	112	93.2 Å²	93.2	60%	0.599	52%	0.515	S	S	*	.			trans	-107.3	96.5	171.4	-86.7	-22.8	0	0	0	111.6	R85 S89	R85-D87 PolarHBondContact O-N 3.27Å; D87-S89 PolarHBondContact O-N 2.7Å
88	S	50.1	Low	68.4	Low	132 Å²	132	99.1 Å²	99.1	92%	0.923	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	4.5	175	-28.6	0	0	0	0	113.8
89	S	51.3	Low	68.6	Low	96 Å²	96	97.2 Å²	97.2	67%	0.671	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-6.5	-172.7	54.8	0	0	0	0	114.3	D87	D87-S89 PolarHBondContact O-N 2.7Å
90	L	52.3	Low	69	Low	133 Å²	133	93.6 Å²	93.6	70%	0.696	51%	0.506	S	S	*	.			trans	-116.5	117.2	173	-70.8	164.5	0	0	0	108.6	G92	L90-G92 PolarHBondContact O-N 3.04Å
91	Q	50.9	Low	69.6	Low	209 Å²	209	92.7 Å²	92.7	98%	0.977	50%	0.5	S	S	*	.			trans	-64.2	41.5	159.8	-77.3	174.4	-14.1	0	0	111	E93	Q91-E93 PolarHBondContact O-N 2.73Å
92	G	55.2	Low	70.7	Confident	53 Å²	53	92.1 Å²	92.1	55%	0.546	50%	0.496	S	S	.	.			trans	-71	119	172.6	0	0	0	0	0	108.3	L90 I94	L90-G92 PolarHBondContact O-N 3.04Å; G92-I94 PolarHBondContact O-N 3.25Å
93	E	63.3	Low	71.8	Confident	179 Å²	179	89.5 Å²	89.5	84%	0.836	48%	0.477	S	S	*	.			trans	-51.3	127.1	168.5	-165.5	176.2	-179.8	0	0	108.5	Q91 V95	Q91-E93 PolarHBondContact O-N 2.73Å; E93-V95 VanDerWaalsContact O-CG2 3.27Å; E93-V95 WeakPolarHBondContact O-CG2 3.24Å; E93-V95 PolarHBondContact O-N 3.4Å
94	I	66.4	Low	73.3	Confident	91 Å²	91	85.8 Å²	85.8	47%	0.467	46%	0.457	S	S	.	.			trans	-62.6	105.3	178.7	-61.8	174.9	0	0	0	107.1	P81 G92 T96	P81-I94 HydrophobicContact CB-CG2 3.86Å; G92-I94 PolarHBondContact O-N 3.25Å; I94-T96 HydrophobicContact CG2-CG2 3.89Å; I94-T96 PolarHBondContact O-N 3.16Å; I94-T96 VanDerWaalsContact O-N 3.12Å
95	V	76.3	Confident	75	Confident	91 Å²	91	79 Å²	79	55%	0.552	43%	0.427	S	S	*	.			trans	-81.5	100.2	-179.6	-156.2	0	0	0	0	108.2	E93 V219	E93-V95 VanDerWaalsContact O-CG2 3.27Å; E93-V95 WeakPolarHBondContact O-CG2 3.24Å; E93-V95 PolarHBondContact O-N 3.4Å; V95-V219 HydrophobicContact CB-CG1 3.52Å; V95-V219 HydrophobicContact CG1-CG1 3.12Å
96	T	82.8	Confident	76.9	Confident	60 Å²	60	70.2 Å²	70.2	37%	0.368	39%	0.394	S	S	.	.			trans	-89.4	148.3	177.7	62.1	0	0	0	0	110.7	P81 I94 K98	P81-T96 HydrophobicContact CB-CG2 3.77Å; P81-T96 HydrophobicContact CG-CG2 3.61Å; I94-T96 HydrophobicContact CG2-CG2 3.89Å; I94-T96 PolarHBondContact O-N 3.16Å; I94-T96 VanDerWaalsContact O-N 3.12Å; T96-K98 PolarHBondContact O-N 3.42Å
97	P	90	Very high	79.2	Confident	8 Å²	8	65 Å²	65	5%	0.052	36%	0.361	C	S	.	.			trans	-50.3	141.5	164.4	-25.3	35.1	0	0	0	110.8	R216 A217 V219 P268	P97-R216 HydrophobicContact CG-CB 4.46Å; P97-A217 HydrophobicContact CB-CB 4.47Å; P97-A217 WeakPolarHBondContact CB-O 3.19Å; P97-A217 WeakPolarHBondContact CG-O 3.29Å; P97-V219 HydrophobicContact CG-CG2 4.36Å; P97-P268 HydrophobicContact CB-CB 4.18Å; P97-P268 WeakPolarHBondContact O-CB 3.32Å
98	K	92.9	Very high	81.8	Confident	152 Å²	152	59.9 Å²	59.9	66%	0.661	33%	0.333	S	S	*	.			trans	-114.9	-17.4	-179.5	-61.2	178.7	-173.8	171	0	113.5	T96 P268	T96-K98 PolarHBondContact O-N 3.42Å; K98-P268 VanDerWaalsContact C-CG 3.46Å; K98-P268 VanDerWaalsContact O-CG 3.29Å; K98-P268 WeakPolarHBondContact O-CG 3.38Å
99	C	97	Very high	84.1	Confident	7 Å²	7	53.6 Å²	53.6	5%	0.047	29%	0.289	C	S	.	.			trans	-105.1	149.9	-171.2	-61.3	0	0	0	0	113.6	A217 Q221 A223 D224 P268	C99-A217 HydrophobicContact CB-CB 4.01Å; C99-A217 WeakPolarHBondContact O-CB 3.47Å; C99-Q221 HydrophobicContact CB-CB 4.5Å; C99-Q221 HydrophobicContact CB-CG 4.04Å; C99-Q221 PolarHBondContact SG-O 2.92Å; C99-A223 WeakPolarHBondContact CB-O 3.43Å; C99-A223 PolarHBondContact SG-N 3.23Å; C99-D224 WeakPolarHBondContact CA-OD1 3.29Å; C99-P268 WeakPolarHBondContact O-CG 3.46Å
100	T	98.3	Very high	86.3	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.043	27%	0.269	C	S	.	.			trans	-88.7	136.3	171.9	-60	0	0	0	0	110	H102 D224 T225 V265 I266 R267	T100-H102 WeakPolarHBondContact CG2-NE2 3.22Å; T100-D224 PolarHBondContact N-OD1 2.52Å; T100-D224 VanDerWaalsContact O-CA 3.25Å; T100-D224 WeakPolarHBondContact O-CA 3.45Å; T100-D224 WeakPolarHBondContact O-CB 3.43Å; T100-T225 PolarHBondContact O-N 3.29Å; T100-T225 VanDerWaalsContact O-N 3.09Å; T100-V265 HydrophobicContact CG2-CG1 3.35Å; T100-I266 WeakPolarHBondContact CA-O 3.47Å; T100-I266 WeakPolarHBondContact CG2-O 3.44Å; T100-R267 PolarHBondContact OG1-NH1 3.34Å
101	R	98.5	Very high	88.5	Confident	10 Å²	10	47.6 Å²	47.6	4%	0.038	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.2	169.3	-63.3	-175.7	59.9	-148.5	3.2	110.3	L103 H213 H215 A217 E227 V265 I266	R101-L103 HydrophobicContact CB-CD2 4.34Å; R101-H213 PolarHBondContact NH1-O 2.81Å; R101-H213 PolarHBondContact NH2-O 2.55Å; R101-H215 WeakPolarHBondContact CD-O 3.36Å; R101-H215 PolarHBondContact NH1-CE1 2.9Å; R101-H215 VanDerWaalsContact NH1-CE1 3.33Å; R101-H215 PolarHBondContact NH1-ND1 3.02Å; R101-H215 PolarHBondContact NH1-NE2 3.48Å; R101-H215 PolarHBondContact NH1-O 3.32Å; R101-A217 HydrophobicContact CG-CB 4.13Å; R101-E227 IonicContact CZ-OE1 2.59Å; R101-E227 IonicContact NE-OE1 3.6Å; R101-E227 PolarHBondContact NE-OE1 3.06Å; R101-E227 VanDerWaalsContact NH2-CD 3.34Å; R101-E227 IonicContact NH2-OE1 3.56Å; R101-E227 PolarHBondContact NH2-OE1 3.3Å; R101-E227 VanDerWaalsContact NH2-OE1 3.08Å; R101-E227 IonicContact NH2-OE2 3.73Å; R101-E227 PolarHBondContact NH2-OE2 2.86Å; R101-V265 WeakPolarHBondContact O-CA 3.44Å; R101-I266 HydrophobicContact CB-CB 4.39Å; R101-I266 PolarHBondContact N-O 3.12Å; R101-I266 PolarHBondContact O-N 3.19Å
102	H	98.8	Very high	90.8	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.056	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.2	173.3	-66.8	-97	0	0	0	108.7	T100 L104 T225 Y226 E227 W263	T100-H102 WeakPolarHBondContact CG2-NE2 3.22Å; H102-L104 HydrophobicContact CB-CD1 4.44Å; H102-T225 WeakPolarHBondContact CA-O 3.17Å; H102-T225 WeakPolarHBondContact CB-O 3.47Å; H102-T225 PolarHBondContact N-O 2.94Å; H102-Y226 HydrophobicContact CB-CD1 3.55Å; H102-Y226 HydrophobicContact CB-CE1 3.81Å; H102-Y226 HydrophobicContact CB-CG 3.96Å; H102-Y226 AromaticContact CD2-CE1 3.91Å; H102-Y226 AromaticContact CD2-CE2 3.93Å; H102-Y226 AromaticContact CD2-CZ 3.65Å; H102-Y226 AromaticContact CG-CD1 3.9Å; H102-Y226 AromaticContact CG-CE1 3.6Å; H102-Y226 AromaticContact CG-CZ 3.86Å; H102-Y226 AromaticContact ND1-CE1 3.89Å; H102-Y226 AromaticContact NE2-CZ 3.93Å; H102-Y226 CarbonylContact O-C 3.57Å; H102-Y226 WeakPolarHBondContact O-CA 3.39Å; H102-E227 PolarHBondContact O-N 3Å; H102-W263 AromaticContact CG-NE1 3.76Å; H102-W263 AromaticContact ND1-CE2 3.52Å; H102-W263 AromaticContact ND1-CZ2 3.3Å; H102-W263 VanDerWaalsContact ND1-CZ2 3.3Å; H102-W263 WeakPolarHBondContact ND1-CZ2 3.29Å; H102-W263 AromaticContact ND1-NE1 3.22Å; H102-W263 PolarHBondContact ND1-NE1 3.5Å
103	L	98.8	Very high	92.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.4	-179.7	-48.9	-177	0	0	0	108.7	R101 F105 I214 E227 F229 W263 L264 I266	R101-L103 HydrophobicContact CB-CD2 4.34Å; L103-F105 HydrophobicContact CB-CD2 4.46Å; L103-F105 HydrophobicContact CB-CE2 3.56Å; L103-F105 HydrophobicContact CB-CZ 3.83Å; L103-F105 HydrophobicContact CD1-CE2 4.46Å; L103-F105 HydrophobicContact CD1-CZ 4.14Å; L103-I214 HydrophobicContact CD1-CB 4.38Å; L103-I214 HydrophobicContact CD1-CG1 4.06Å; L103-I214 HydrophobicContact CD1-CG2 4.2Å; L103-E227 HydrophobicContact CD2-CB 4.02Å; L103-F229 HydrophobicContact CB-CE2 4.47Å; L103-F229 HydrophobicContact CD2-CE2 4.15Å; L103-W263 WeakPolarHBondContact O-CA 3.37Å; L103-L264 HydrophobicContact CB-CB 4.42Å; L103-L264 PolarHBondContact N-O 3.5Å; L103-L264 PolarHBondContact O-N 3.09Å; L103-I266 HydrophobicContact CD1-CD1 3.67Å; L103-I266 HydrophobicContact CG-CD1 4.37Å
104	L	98.8	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.6	179	-64	92.7	0	0	0	109.1	H102 L137 Y144 Y226 E227 V228 F229 I261 T262 W263	H102-L104 HydrophobicContact CB-CD1 4.44Å; L104-L137 HydrophobicContact CD2-CD2 3.97Å; L104-Y144 HydrophobicContact CD1-CE1 4.4Å; L104-Y144 HydrophobicContact CD2-CE1 4.4Å; L104-Y226 HydrophobicContact CD1-CD1 4.23Å; L104-E227 PolarHBondContact N-O 3.16Å; L104-V228 HydrophobicContact CB-CG2 4.47Å; L104-V228 CarbonylContact O-C 3.59Å; L104-V228 VanDerWaalsContact O-CA 3.3Å; L104-V228 WeakPolarHBondContact O-CA 3.34Å; L104-F229 PolarHBondContact O-N 3.13Å; L104-I261 HydrophobicContact CB-CG2 4.47Å; L104-I261 HydrophobicContact CD2-CG2 4.23Å; L104-T262 CarbonylContact C-O 3.5Å; L104-T262 WeakPolarHBondContact CA-O 3.35Å; L104-W263 HydrophobicContact CG-CG 4.27Å
105	F	98.9	Very high	95.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130	178.2	-55.7	-91.4	0	0	0	110.4	L103 I214 F229 I236 F239 I261 T262 L264	L103-F105 HydrophobicContact CB-CD2 4.46Å; L103-F105 HydrophobicContact CB-CE2 3.56Å; L103-F105 HydrophobicContact CB-CZ 3.83Å; L103-F105 HydrophobicContact CD1-CE2 4.46Å; L103-F105 HydrophobicContact CD1-CZ 4.14Å; F105-I214 HydrophobicContact CE1-CD1 4.37Å; F105-I214 HydrophobicContact CZ-CD1 3.75Å; F105-I214 HydrophobicContact CZ-CG1 4.34Å; F105-F229 CarbonylContact C-O 3.5Å; F105-F229 WeakPolarHBondContact CA-O 3.37Å; F105-F229 HydrophobicContact CD1-CB 3.51Å; F105-F229 HydrophobicContact CD1-CD2 4.11Å; F105-F229 AromaticContact CD1-CG 3.87Å; F105-F229 HydrophobicContact CD1-CG 3.87Å; F105-F229 HydrophobicContact CE1-CB 3.93Å; F105-F229 HydrophobicContact CE1-CD1 4.28Å; F105-F229 AromaticContact CE1-CD2 3.79Å; F105-F229 HydrophobicContact CE1-CD2 3.79Å; F105-F229 HydrophobicContact CE1-CE2 4.4Å; F105-F229 AromaticContact CE1-CG 3.73Å; F105-F229 HydrophobicContact CE1-CG 3.73Å; F105-F229 HydrophobicContact CG-CB 4.32Å; F105-F229 HydrophobicContact CZ-CD2 4.25Å; F105-I236 HydrophobicContact CB-CD1 3.87Å; F105-I236 HydrophobicContact CB-CG1 3.83Å; F105-I236 HydrophobicContact CB-CG2 4.07Å; F105-I236 HydrophobicContact CD1-CG1 4.45Å; F105-I236 HydrophobicContact CG-CG1 4.41Å; F105-F239 HydrophobicContact CD1-CD2 4.18Å; F105-F239 AromaticContact CE1-CD2 3.59Å; F105-F239 HydrophobicContact CE1-CD2 3.59Å; F105-F239 HydrophobicContact CE1-CE2 4.04Å; F105-F239 HydrophobicContact CZ-CD2 4.14Å; F105-I261 CarbonylContact O-C 3.47Å; F105-I261 WeakPolarHBondContact O-CA 3.31Å; F105-T262 PolarHBondContact N-O 2.7Å; F105-T262 PolarHBondContact O-N 2.94Å; F105-L264 HydrophobicContact CE2-CB 4.35Å; F105-L264 HydrophobicContact CE2-CD1 3.85Å; F105-L264 HydrophobicContact CE2-CG 4.3Å
106	I	98.9	Very high	96.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.9	179.9	-60.6	168.2	0	0	0	107.1	L130 T133 L137 V162 V228 F229 V230 C231 S260 I261	I106-L130 HydrophobicContact CG2-CD1 3.97Å; I106-T133 HydrophobicContact CD1-CG2 4.08Å; I106-T133 HydrophobicContact CG1-CG2 4.28Å; I106-T133 HydrophobicContact CG2-CG2 3.99Å; I106-L137 HydrophobicContact CD1-CD1 3.62Å; I106-V162 HydrophobicContact CD1-CG1 4.31Å; I106-V162 HydrophobicContact CD1-CG2 4.36Å; I106-V228 HydrophobicContact CD1-CG1 3.51Å; I106-V228 HydrophobicContact CG1-CG1 4.31Å; I106-F229 PolarHBondContact N-O 3.34Å; I106-V230 HydrophobicContact CB-CG2 4.22Å; I106-V230 HydrophobicContact CD1-CG2 4.21Å; I106-V230 WeakPolarHBondContact O-CA 3.34Å; I106-C231 PolarHBondContact O-N 3.38Å; I106-S260 WeakPolarHBondContact CA-O 3.32Å; I106-I261 HydrophobicContact CG1-CG1 4.41Å
107	R	98.8	Very high	97.3	Very high	13 Å²	13	48 Å²	48	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.9	166.6	-174	-176.7	176	-162.5	-3.7	108.1	I236 L256 D257 H258 G259 S260 V290 Q291	R107-I236 HydrophobicContact CB-CD1 4.3Å; R107-L256 WeakPolarHBondContact CD-O 3.48Å; R107-L256 PolarHBondContact NH1-O 3.17Å; R107-D257 WeakPolarHBondContact CD-O 3.29Å; R107-H258 PolarHBondContact NH2-NE2 3.11Å; R107-G259 WeakPolarHBondContact O-CA 3.34Å; R107-G259 PolarHBondContact O-N 2.82Å; R107-S260 PolarHBondContact N-O 3.23Å; R107-V290 PolarHBondContact NH1-O 2.99Å; R107-V290 PolarHBondContact NH2-O 3.22Å; R107-Q291 PolarHBondContact NH2-OXT 3.21Å
108	H	98.8	Very high	97.7	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.019	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-50	164.5	171.8	68.4	75.4	0	0	0	112.6	Y111 R154 S158 C231 H232 H258 G259	H108-Y111 AromaticContact CE1-CD1 3.4Å; H108-Y111 WeakPolarHBondContact CE1-CD1 3.42Å; H108-Y111 AromaticContact CE1-CE1 3.38Å; H108-Y111 WeakPolarHBondContact CE1-CE1 3.19Å; H108-Y111 AromaticContact ND1-CD1 3.72Å; H108-R154 HydrophobicContact CB-CB 4.46Å; H108-R154 HydrophobicContact CB-CG 4.17Å; H108-R154 PolarHBondContact NE2-NE 2.96Å; H108-S158 WeakPolarHBondContact CA-OG 3.46Å; H108-C231 PolarHBondContact CD2-O 3.22Å; H108-C231 PolarHBondContact N-O 2.88Å; H108-H232 AromaticContact CD2-ND1 3.24Å; H108-H232 PolarHBondContact CD2-ND1 2.81Å; H108-H232 AromaticContact NE2-ND1 3.85Å; H108-H258 AromaticContact CE1-CD2 3.74Å; H108-H258 AromaticContact CE1-NE2 3.79Å; H108-H258 AromaticContact ND1-CD2 3.89Å; H108-H258 WeakPolarHBondContact O-CA 3.08Å; H108-H258 PolarHBondContact O-CD2 2.86Å; H108-G259 PolarHBondContact O-N 2.94Å
109	G	98.7	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-75.8	168.2	178.3	0	0	0	0	0	112.7	Y111 L122 L130 S158 H258	G109-Y111 PolarHBondContact O-N 2.67Å; G109-L122 WeakPolarHBondContact O-CD2 3.44Å; G109-L130 VanDerWaalsContact N-CD2 3.28Å; G109-S158 PolarHBondContact N-OG 3.44Å; G109-H258 VanDerWaalsContact C-CD2 3.48Å; G109-H258 PolarHBondContact O-CD2 3.16Å
110	Q	98.8	Very high	98	Very high	53 Å²	53	48.4 Å²	48.4	25%	0.248	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-56.1	136	170.1	-170.2	-168.7	60.2	0	0	110.2	L122 T123 G126	Q110-L122 WeakPolarHBondContact O-CA 3.4Å; Q110-L122 WeakPolarHBondContact O-CD2 3.36Å; Q110-T123 HydrophobicContact CG-CG2 4.06Å; Q110-T123 PolarHBondContact O-N 2.91Å; Q110-T123 PolarHBondContact O-OG1 2.97Å; Q110-T123 PolarHBondContact OE1-OG1 2.96Å; Q110-G126 WeakPolarHBondContact O-CA 3.29Å
111	Y	98.6	Very high	98	Very high	51 Å²	51	51.8 Å²	51.8	20%	0.2	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-139	159.4	-174.4	74.6	-71.4	0	0	0	110.8	H108 G109 Y113 C120 H121 R154	H108-Y111 AromaticContact CE1-CD1 3.4Å; H108-Y111 WeakPolarHBondContact CE1-CD1 3.42Å; H108-Y111 AromaticContact CE1-CE1 3.38Å; H108-Y111 WeakPolarHBondContact CE1-CE1 3.19Å; H108-Y111 AromaticContact ND1-CD1 3.72Å; G109-Y111 PolarHBondContact O-N 2.67Å; Y111-Y113 HydrophobicContact CE2-CD2 4.47Å; Y111-C120 HydrophobicContact CD2-CB 3.81Å; Y111-C120 HydrophobicContact CE2-CB 3.98Å; Y111-H121 CarbonylContact C-O 3.51Å; Y111-H121 VanDerWaalsContact CA-O 3.24Å; Y111-H121 WeakPolarHBondContact CA-O 3.45Å; Y111-H121 WeakPolarHBondContact CB-O 3.26Å; Y111-R154 HydrophobicContact CD2-CB 4.24Å; Y111-R154 HydrophobicContact CG-CB 3.96Å; Y111-R154 HydrophobicContact CG-CG 4.4Å
112	Y	97.9	Very high	98	Very high	149 Å²	149	51.6 Å²	51.6	58%	0.584	24%	0.241	S	C	*	.			trans	-78.5	125.6	169.7	-63.2	-68.4	0	0	0	109.1	C120 H121 T123	Y112-C120 VanDerWaalsContact O-CA 3.28Å; Y112-C120 WeakPolarHBondContact O-CA 3.35Å; Y112-H121 PolarHBondContact N-O 3.36Å; Y112-T123 HydrophobicContact CD1-CG2 3.97Å; Y112-T123 HydrophobicContact CD2-CG2 4.04Å; Y112-T123 HydrophobicContact CE1-CG2 3.79Å; Y112-T123 HydrophobicContact CE2-CG2 3.89Å; Y112-T123 HydrophobicContact CG-CG2 4.09Å
113	Y	95.4	Very high	98	Very high	193 Å²	193	51.5 Å²	51.5	76%	0.757	24%	0.241	S	C	*	.			trans	-75.5	130.5	172.4	-178.1	-90.7	0	0	0	110.2	Y111	Y111-Y113 HydrophobicContact CE2-CD2 4.47Å
114	A	96.6	Very high	98	Very high	24 Å²	24	54 Å²	54	20%	0.198	27%	0.266	C	S	.	.			trans	-134.7	169.8	172.4	0	0	0	0	0	109.7	D119 C120	A114-D119 HydrophobicContact CB-CB 3.53Å; A114-C120 PolarHBondContact N-SG 3.07Å; A114-C120 VanDerWaalsContact N-SG 3.37Å; A114-C120 PolarHBondContact O-SG 2.7Å
115	K	95	Very high	98	Very high	186 Å²	186	56.1 Å²	56.1	81%	0.809	28%	0.277	S	S	*	.	S	Bend	trans	-70	-46.2	178.4	-176.3	-176.3	172.3	-170.7	0	111.5
116	E	97.2	Very high	98	Very high	102 Å²	102	56.1 Å²	56.1	48%	0.477	28%	0.277	S	S	.	.	S	Bend	trans	-91.4	136.1	178.7	-55.7	-55.1	141	0	0	109.5	S118 D119 C120	E116-S118 PolarHBondContact O-N 3.31Å; E116-D119 PolarHBondContact O-N 3.39Å; E116-D119 VanDerWaalsContact O-N 3.07Å; E116-C120 PolarHBondContact O-SG 3.48Å
117	D	97.5	Very high	98	Very high	38 Å²	38	60.7 Å²	60.7	20%	0.203	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.9	-32.2	-179.7	-176	47.4	0	0	0	111.6	D119 C120 M152 T153 R154 R178	D117-D119 PolarHBondContact O-N 3.33Å; D117-D119 VanDerWaalsContact O-N 3.17Å; D117-C120 WeakPolarHBondContact O-CB 3.46Å; D117-C120 PolarHBondContact O-N 3.47Å; D117-M152 WeakPolarHBondContact OD2-CA 3.21Å; D117-T153 WeakPolarHBondContact O-CB 3.09Å; D117-T153 PolarHBondContact O-OG1 3.36Å; D117-R154 IonicContact OD1-NH1 2.77Å; D117-R154 PolarHBondContact OD1-NH1 3.39Å; D117-R178 IonicContact OD2-CZ 2.91Å; D117-R178 IonicContact OD2-NH1 3.82Å; D117-R178 PolarHBondContact OD2-NH1 2.93Å; D117-R178 IonicContact OD2-NH2 3.75Å; D117-R178 PolarHBondContact OD2-NH2 2.79Å
118	S	97.6	Very high	98	Very high	74 Å²	74	65.2 Å²	65.2	52%	0.517	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-59.5	-25.5	177.4	55.2	0	0	0	0	113.7	E116 H121	E116-S118 PolarHBondContact O-N 3.31Å; S118-H121 PolarHBondContact O-NE2 3.06Å
119	D	98	Very high	98	Very high	95 Å²	95	65 Å²	65	51%	0.508	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-96.8	-3.5	-178.8	-60	-34.8	0	0	0	112.3	A114 E116 D117 H121	A114-D119 HydrophobicContact CB-CB 3.53Å; E116-D119 PolarHBondContact O-N 3.39Å; E116-D119 VanDerWaalsContact O-N 3.07Å; D117-D119 PolarHBondContact O-N 3.33Å; D117-D119 VanDerWaalsContact O-N 3.17Å; D119-H121 VanDerWaalsContact C-N 3.26Å; D119-H121 PolarHBondContact O-N 3.2Å
120	C	98.2	Very high	98	Very high	6 Å²	6	65 Å²	65	4%	0.041	32%	0.315	C	S	.	.			trans	-82.7	57.6	-175.8	-69.4	0	0	0	0	113	Y111 Y112 A114 E116 D117 R154	Y111-C120 HydrophobicContact CD2-CB 3.81Å; Y111-C120 HydrophobicContact CE2-CB 3.98Å; Y112-C120 VanDerWaalsContact O-CA 3.28Å; Y112-C120 WeakPolarHBondContact O-CA 3.35Å; A114-C120 PolarHBondContact N-SG 3.07Å; A114-C120 VanDerWaalsContact N-SG 3.37Å; A114-C120 PolarHBondContact O-SG 2.7Å; E116-C120 PolarHBondContact O-SG 3.48Å; D117-C120 WeakPolarHBondContact O-CB 3.46Å; D117-C120 PolarHBondContact O-N 3.47Å; C120-R154 PolarHBondContact O-N 3.22Å
121	H	98.6	Very high	98	Very high	78 Å²	78	65 Å²	65	36%	0.361	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-80.4	154.5	-175.7	-69.4	-80.8	0	0	0	114.3	Y111 Y112 S118 D119 E157	Y111-H121 CarbonylContact C-O 3.51Å; Y111-H121 VanDerWaalsContact CA-O 3.24Å; Y111-H121 WeakPolarHBondContact CA-O 3.45Å; Y111-H121 WeakPolarHBondContact CB-O 3.26Å; Y112-H121 PolarHBondContact N-O 3.36Å; S118-H121 PolarHBondContact O-NE2 3.06Å; D119-H121 VanDerWaalsContact C-N 3.26Å; D119-H121 PolarHBondContact O-N 3.2Å; H121-E157 IonicContact CE1-OE1 2.79Å; H121-E157 IonicContact CG-OE1 3.62Å; H121-E157 IonicContact ND1-OE1 2.99Å; H121-E157 PolarHBondContact ND1-OE1 2.9Å; H121-E157 IonicContact ND1-OE2 2.97Å
122	L	98.7	Very high	98	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.031	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-60.3	139.8	174.1	-66.1	-177.8	0	0	0	112.1	G109 Q110 R127 R154 E157 L161	G109-L122 WeakPolarHBondContact O-CD2 3.44Å; Q110-L122 WeakPolarHBondContact O-CA 3.4Å; Q110-L122 WeakPolarHBondContact O-CD2 3.36Å; L122-R127 HydrophobicContact CB-CG 4.02Å; L122-R127 HydrophobicContact CD1-CG 4.32Å; L122-R154 HydrophobicContact CD2-CB 4.28Å; L122-E157 VanDerWaalsContact CB-OE2 3.28Å; L122-E157 WeakPolarHBondContact CB-OE2 3.33Å; L122-E157 HydrophobicContact CD1-CB 3.7Å; L122-E157 HydrophobicContact CG-CB 3.92Å; L122-E157 VanDerWaalsContact CG-OE2 3.28Å; L122-E157 WeakPolarHBondContact CG-OE2 3.41Å; L122-E157 PolarHBondContact N-OE2 2.84Å; L122-L161 HydrophobicContact CD1-CD1 3.74Å
123	T	98.6	Very high	98	Very high	10 Å²	10	56.5 Å²	56.5	6%	0.061	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-73.8	168.6	169	73.6	0	0	0	0	110.4	Q110 Y112 L125 G126 R127	Q110-T123 HydrophobicContact CG-CG2 4.06Å; Q110-T123 PolarHBondContact O-N 2.91Å; Q110-T123 PolarHBondContact O-OG1 2.97Å; Q110-T123 PolarHBondContact OE1-OG1 2.96Å; Y112-T123 HydrophobicContact CD1-CG2 3.97Å; Y112-T123 HydrophobicContact CD2-CG2 4.04Å; Y112-T123 HydrophobicContact CE1-CG2 3.79Å; Y112-T123 HydrophobicContact CE2-CG2 3.89Å; Y112-T123 HydrophobicContact CG-CG2 4.09Å; T123-L125 PolarHBondContact O-N 3.21Å; T123-L125 PolarHBondContact OG1-N 2.89Å; T123-G126 PolarHBondContact O-N 3.02Å; T123-G126 VanDerWaalsContact O-N 3.1Å; T123-G126 PolarHBondContact OG1-N 2.9Å; T123-R127 WeakPolarHBondContact O-CG 3.38Å; T123-R127 PolarHBondContact O-N 3.04Å
124	G	98.5	Very high	98.2	Very high	51 Å²	51	47.3 Å²	47.3	53%	0.526	25%	0.251	S	S	.	.	H	α-helix	trans	-56.9	-39.5	171.7	0	0	0	0	0	112.6	R127 Q128	G124-R127 PolarHBondContact O-N 2.78Å; G124-Q128 WeakPolarHBondContact O-CG 3.37Å; G124-Q128 PolarHBondContact O-N 3.38Å
125	L	98.7	Very high	98.3	Very high	45 Å²	45	50 Å²	50	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-43.9	173.5	170.8	57.8	0	0	0	111.4	T123 R127 Q128 Q129 L287	T123-L125 PolarHBondContact O-N 3.21Å; T123-L125 PolarHBondContact OG1-N 2.89Å; L125-R127 VanDerWaalsContact C-N 3.27Å; L125-R127 PolarHBondContact O-N 2.91Å; L125-Q128 PolarHBondContact O-N 3.48Å; L125-Q128 VanDerWaalsContact O-N 3.12Å; L125-Q129 HydrophobicContact CD1-CG 4.18Å; L125-Q129 WeakPolarHBondContact O-CG 3.35Å; L125-Q129 PolarHBondContact O-N 3.38Å; L125-L287 HydrophobicContact CD1-CB 4Å; L125-L287 HydrophobicContact CD1-CD2 3.61Å; L125-L287 HydrophobicContact CD1-CG 4.39Å
126	G	98.7	Very high	98.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54	-42.9	174.1	0	0	0	0	0	113.2	Q110 T123 Q129 L130	Q110-G126 WeakPolarHBondContact O-CA 3.29Å; T123-G126 PolarHBondContact O-N 3.02Å; T123-G126 VanDerWaalsContact O-N 3.1Å; T123-G126 PolarHBondContact OG1-N 2.9Å; G126-Q129 WeakPolarHBondContact O-CB 3.39Å; G126-Q129 PolarHBondContact O-N 2.77Å; G126-L130 WeakPolarHBondContact O-CD2 3.43Å; G126-L130 PolarHBondContact O-N 2.87Å
127	R	98.8	Very high	98.5	Very high	97 Å²	97	39.9 Å²	39.9	37%	0.366	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-40.8	177.7	-62.1	-178.9	-175.3	-76.9	-5.8	112.1	L122 T123 G124 L125 L130 D131 E157 L161	L122-R127 HydrophobicContact CB-CG 4.02Å; L122-R127 HydrophobicContact CD1-CG 4.32Å; T123-R127 WeakPolarHBondContact O-CG 3.38Å; T123-R127 PolarHBondContact O-N 3.04Å; G124-R127 PolarHBondContact O-N 2.78Å; L125-R127 VanDerWaalsContact C-N 3.27Å; L125-R127 PolarHBondContact O-N 2.91Å; R127-L130 PolarHBondContact O-N 2.93Å; R127-D131 PolarHBondContact O-N 2.79Å; R127-E157 IonicContact CZ-OE2 3.9Å; R127-E157 VanDerWaalsContact NH2-CD 3.35Å; R127-E157 IonicContact NH2-OE1 3.88Å; R127-E157 PolarHBondContact NH2-OE1 2.77Å; R127-E157 IonicContact NH2-OE2 3.19Å; R127-E157 PolarHBondContact NH2-OE2 2.85Å; R127-L161 HydrophobicContact CB-CD1 3.98Å; R127-L161 HydrophobicContact CG-CD1 3.97Å
128	Q	98.8	Very high	98.6	Very high	107 Å²	107	44.3 Å²	44.3	50%	0.5	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-40.4	175.8	-68.3	176	-23.6	0	0	112.3	G124 L125 L130 D131 C132 L287	G124-Q128 WeakPolarHBondContact O-CG 3.37Å; G124-Q128 PolarHBondContact O-N 3.38Å; L125-Q128 PolarHBondContact O-N 3.48Å; L125-Q128 VanDerWaalsContact O-N 3.12Å; Q128-L130 VanDerWaalsContact C-N 3.31Å; Q128-L130 PolarHBondContact O-N 3.09Å; Q128-D131 PolarHBondContact O-N 3.28Å; Q128-C132 PolarHBondContact O-N 3.06Å; Q128-L287 HydrophobicContact CB-CD1 4.09Å; Q128-L287 HydrophobicContact CB-CD2 4.41Å
129	Q	98.9	Very high	98.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-43.6	175.5	-71.2	162.6	-12.5	0	0	111.7	L125 G126 C132 T133 M283 L287 S289	L125-Q129 HydrophobicContact CD1-CG 4.18Å; L125-Q129 WeakPolarHBondContact O-CG 3.35Å; L125-Q129 PolarHBondContact O-N 3.38Å; G126-Q129 WeakPolarHBondContact O-CB 3.39Å; G126-Q129 PolarHBondContact O-N 2.77Å; Q129-C132 PolarHBondContact O-N 2.99Å; Q129-T133 PolarHBondContact O-N 2.85Å; Q129-T133 PolarHBondContact O-OG1 3.5Å; Q129-M283 HydrophobicContact CB-CE 4.26Å; Q129-M283 HydrophobicContact CB-SD 3.99Å; Q129-M283 HydrophobicContact CG-SD 3.9Å; Q129-L287 HydrophobicContact CG-CB 4.45Å; Q129-L287 VanDerWaalsContact CG-O 3.3Å; Q129-L287 WeakPolarHBondContact CG-O 3.28Å; Q129-L287 PolarHBondContact NE2-O 2.79Å; Q129-S289 PolarHBondContact NE2-OG 3.19Å
130	L	98.8	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-78.1	-28.7	-178.1	-82.3	-50.7	0	0	0	112.7	I106 G109 G126 R127 Q128 T133 G134 L161 V162	I106-L130 HydrophobicContact CG2-CD1 3.97Å; G109-L130 VanDerWaalsContact N-CD2 3.28Å; G126-L130 WeakPolarHBondContact O-CD2 3.43Å; G126-L130 PolarHBondContact O-N 2.87Å; R127-L130 PolarHBondContact O-N 2.93Å; Q128-L130 VanDerWaalsContact C-N 3.31Å; Q128-L130 PolarHBondContact O-N 3.09Å; L130-T133 PolarHBondContact O-N 2.74Å; L130-G134 PolarHBondContact O-N 2.97Å; L130-L161 HydrophobicContact CB-CB 3.84Å; L130-L161 HydrophobicContact CB-CD1 3.96Å; L130-V162 HydrophobicContact CD1-CG2 3.82Å
131	D	98.7	Very high	98.5	Very high	52 Å²	52	50.1 Å²	50.1	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-46.3	168.2	-177.8	65.2	0	0	0	111.3	R127 Q128 T133 G134 K135 H165	R127-D131 PolarHBondContact O-N 2.79Å; Q128-D131 PolarHBondContact O-N 3.28Å; D131-T133 VanDerWaalsContact C-N 3.29Å; D131-T133 PolarHBondContact O-N 3.44Å; D131-G134 PolarHBondContact O-N 3.41Å; D131-K135 WeakPolarHBondContact O-CB 3.48Å; D131-K135 VanDerWaalsContact O-CG 3.29Å; D131-K135 WeakPolarHBondContact O-CG 3.47Å; D131-K135 PolarHBondContact O-N 2.78Å; D131-K135 WeakPolarHBondContact OD2-CE 3.25Å; D131-K135 IonicContact OD2-NZ 3.29Å; D131-K135 PolarHBondContact OD2-NZ 2.71Å; D131-H165 IonicContact OD1-CE1 3.73Å; D131-H165 PolarHBondContact OD1-CE1 2.82Å; D131-H165 VanDerWaalsContact OD1-CE1 3.29Å; D131-H165 IonicContact OD1-NE2 3.73Å; D131-H165 PolarHBondContact OD1-NE2 3.39Å
132	C	98.8	Very high	98.5	Very high	22 Å²	22	48.7 Å²	48.7	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-42.1	172.1	-74.3	0	0	0	0	112	Q128 Q129 K135 R136 H282 M283	Q128-C132 PolarHBondContact O-N 3.06Å; Q129-C132 PolarHBondContact O-N 2.99Å; C132-K135 PolarHBondContact O-N 3.47Å; C132-R136 WeakPolarHBondContact O-CB 3.28Å; C132-R136 PolarHBondContact O-N 3.47Å; C132-H282 PolarHBondContact O-CD2 3.42Å; C132-M283 HydrophobicContact CB-CG 3.96Å
133	T	98.8	Very high	98.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-44.5	-179.6	-54	0	0	0	0	112	I106 Q129 L130 D131 R136 L137 G259 I261 H282 M283	I106-T133 HydrophobicContact CD1-CG2 4.08Å; I106-T133 HydrophobicContact CG1-CG2 4.28Å; I106-T133 HydrophobicContact CG2-CG2 3.99Å; Q129-T133 PolarHBondContact O-N 2.85Å; Q129-T133 PolarHBondContact O-OG1 3.5Å; L130-T133 PolarHBondContact O-N 2.74Å; D131-T133 VanDerWaalsContact C-N 3.29Å; D131-T133 PolarHBondContact O-N 3.44Å; T133-R136 WeakPolarHBondContact O-CB 3.2Å; T133-R136 PolarHBondContact O-N 2.97Å; T133-L137 WeakPolarHBondContact O-CG 3.18Å; T133-L137 PolarHBondContact O-N 3.39Å; T133-G259 WeakPolarHBondContact CG2-O 3.5Å; T133-G259 PolarHBondContact OG1-O 3.19Å; T133-I261 HydrophobicContact CG2-CD1 4.14Å; T133-I261 HydrophobicContact CG2-CG1 3.98Å; T133-H282 WeakPolarHBondContact CA-NE2 3.1Å; T133-H282 PolarHBondContact OG1-NE2 2.86Å; T133-M283 WeakPolarHBondContact OG1-CE 3.47Å
134	G	98.8	Very high	98.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-45.9	174.2	0	0	0	0	0	112	L130 D131 R136 L137 R138 H165	L130-G134 PolarHBondContact O-N 2.97Å; D131-G134 PolarHBondContact O-N 3.41Å; G134-R136 VanDerWaalsContact C-N 3.29Å; G134-R136 PolarHBondContact O-N 3.22Å; G134-L137 PolarHBondContact O-N 2.98Å; G134-R138 PolarHBondContact O-N 3.02Å; G134-H165 VanDerWaalsContact C-CG 3.45Å; G134-H165 VanDerWaalsContact O-CB 3.31Å; G134-H165 WeakPolarHBondContact O-CB 3.3Å
135	K	98.7	Very high	98.3	Very high	81 Å²	81	57.9 Å²	57.9	35%	0.352	27%	0.267	S	S	.	.	H	α-helix	trans	-55.8	-44.2	173.1	-74.9	170	177.3	164.4	0	111.6	D131 C132 R138 E139 H165	D131-K135 WeakPolarHBondContact O-CB 3.48Å; D131-K135 VanDerWaalsContact O-CG 3.29Å; D131-K135 WeakPolarHBondContact O-CG 3.47Å; D131-K135 PolarHBondContact O-N 2.78Å; D131-K135 WeakPolarHBondContact OD2-CE 3.25Å; D131-K135 IonicContact OD2-NZ 3.29Å; D131-K135 PolarHBondContact OD2-NZ 2.71Å; C132-K135 PolarHBondContact O-N 3.47Å; K135-R138 WeakPolarHBondContact O-CB 3.37Å; K135-R138 PolarHBondContact O-N 3.29Å; K135-E139 WeakPolarHBondContact O-CG 3.48Å; K135-E139 PolarHBondContact O-N 3.41Å; K135-H165 VanDerWaalsContact CG-CE1 3.44Å; K135-H165 WeakPolarHBondContact CG-CE1 3.2Å
136	R	98.7	Very high	98.2	Very high	75 Å²	75	57.7 Å²	57.7	28%	0.283	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-45.1	178.5	-179.6	55.3	178.1	168.4	0.9	112.4	C132 T133 G134 R138 E139 L140 I261 H282	C132-R136 WeakPolarHBondContact O-CB 3.28Å; C132-R136 PolarHBondContact O-N 3.47Å; T133-R136 WeakPolarHBondContact O-CB 3.2Å; T133-R136 PolarHBondContact O-N 2.97Å; G134-R136 VanDerWaalsContact C-N 3.29Å; G134-R136 PolarHBondContact O-N 3.22Å; R136-R138 VanDerWaalsContact C-N 3.32Å; R136-R138 PolarHBondContact O-N 3.05Å; R136-E139 IonicContact NH1-OE2 3.16Å; R136-E139 PolarHBondContact O-N 2.84Å; R136-L140 HydrophobicContact CG-CD1 4.38Å; R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 2.8Å; R136-I261 HydrophobicContact CB-CD1 4.49Å; R136-I261 HydrophobicContact CG-CD1 3.99Å; R136-H282 HydrophobicContact CB-CB 3.76Å; R136-H282 HydrophobicContact CG-CB 3.67Å
137	L	98.6	Very high	98.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-41.2	176.9	-66.1	172.2	0	0	0	111.6	L104 I106 T133 G134 L140 N141 Y144 V162 L166 V228 I261	L104-L137 HydrophobicContact CD2-CD2 3.97Å; I106-L137 HydrophobicContact CD1-CD1 3.62Å; T133-L137 WeakPolarHBondContact O-CG 3.18Å; T133-L137 PolarHBondContact O-N 3.39Å; G134-L137 PolarHBondContact O-N 2.98Å; L137-L140 PolarHBondContact O-N 3.25Å; L137-N141 PolarHBondContact O-N 3.29Å; L137-N141 VanDerWaalsContact O-N 3.14Å; L137-Y144 WeakPolarHBondContact CA-OH 3.47Å; L137-Y144 HydrophobicContact CB-CE2 4.25Å; L137-Y144 HydrophobicContact CD2-CE1 4.21Å; L137-Y144 VanDerWaalsContact O-CE2 3.29Å; L137-Y144 WeakPolarHBondContact O-CE2 3.44Å; L137-Y144 PolarHBondContact O-OH 3.17Å; L137-V162 HydrophobicContact CD1-CG1 3.59Å; L137-L166 HydrophobicContact CB-CD1 4.16Å; L137-L166 HydrophobicContact CB-CD2 4.19Å; L137-L166 HydrophobicContact CD1-CD1 3.91Å; L137-V228 HydrophobicContact CD1-CG1 4.49Å; L137-I261 HydrophobicContact CD2-CD1 4.12Å
138	R	98.3	Very high	98.2	Very high	132 Å²	132	54 Å²	54	50%	0.498	25%	0.25	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.3	-175.7	-177.6	64.8	167.7	0.2	112.2	G134 K135 R136 N141 H165	G134-R138 PolarHBondContact O-N 3.02Å; K135-R138 WeakPolarHBondContact O-CB 3.37Å; K135-R138 PolarHBondContact O-N 3.29Å; R136-R138 VanDerWaalsContact C-N 3.32Å; R136-R138 PolarHBondContact O-N 3.05Å; R138-N141 WeakPolarHBondContact O-CA 3.39Å; R138-N141 WeakPolarHBondContact O-CB 3.44Å; R138-N141 PolarHBondContact O-N 3.3Å; R138-N141 VanDerWaalsContact O-N 3.16Å; R138-H165 HydrophobicContact CB-CB 4.28Å
139	E	98.2	Very high	98.2	Very high	128 Å²	128	51.2 Å²	51.2	60%	0.598	24%	0.235	S	C	*	.	H	α-helix	trans	-63.8	-39	175.9	-74.8	170	-172.4	0	0	113	K135 R136 N141	K135-E139 WeakPolarHBondContact O-CG 3.48Å; K135-E139 PolarHBondContact O-N 3.41Å; R136-E139 IonicContact NH1-OE2 3.16Å; R136-E139 PolarHBondContact O-N 2.84Å; E139-N141 PolarHBondContact O-N 3Å
140	L	97.7	Very high	98.2	Very high	36 Å²	36	51.2 Å²	51.2	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-28.8	174.6	-71.2	170.7	0	0	0	111.9	R136 L137 F142 W276	R136-L140 HydrophobicContact CG-CD1 4.38Å; R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 2.8Å; L137-L140 PolarHBondContact O-N 3.25Å; L140-F142 HydrophobicContact CB-CD2 3.83Å; L140-F142 HydrophobicContact CB-CE2 3.7Å; L140-F142 HydrophobicContact CB-CZ 4.34Å; L140-F142 HydrophobicContact CD1-CE2 4.06Å; L140-F142 HydrophobicContact CD2-CE2 4.1Å; L140-F142 HydrophobicContact CD2-CZ 4.34Å; L140-F142 HydrophobicContact CG-CE2 4.17Å; L140-F142 PolarHBondContact O-N 3.37Å; L140-F142 VanDerWaalsContact O-N 3.15Å; L140-W276 HydrophobicContact CD1-CH2 4.03Å; L140-W276 HydrophobicContact CD1-CZ3 4.03Å; L140-W276 HydrophobicContact CD2-CH2 4.14Å
141	N	97.2	Very high	98.2	Very high	133 Å²	133	53 Å²	53	71%	0.711	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	40.5	170.7	-164.9	40.4	0	0	0	114.1	L137 R138 E139	L137-N141 PolarHBondContact O-N 3.29Å; L137-N141 VanDerWaalsContact O-N 3.14Å; R138-N141 WeakPolarHBondContact O-CA 3.39Å; R138-N141 WeakPolarHBondContact O-CB 3.44Å; R138-N141 PolarHBondContact O-N 3.3Å; R138-N141 VanDerWaalsContact O-N 3.16Å; E139-N141 PolarHBondContact O-N 3Å
142	F	97.6	Very high	98.2	Very high	48 Å²	48	51.9 Å²	51.9	21%	0.211	24%	0.24	C	C	.	.			trans	-76.4	156.4	172.7	-63.5	-51.8	0	0	0	111.2	L140 Y144 Y226 W263	L140-F142 HydrophobicContact CB-CD2 3.83Å; L140-F142 HydrophobicContact CB-CE2 3.7Å; L140-F142 HydrophobicContact CB-CZ 4.34Å; L140-F142 HydrophobicContact CD1-CE2 4.06Å; L140-F142 HydrophobicContact CD2-CE2 4.1Å; L140-F142 HydrophobicContact CD2-CZ 4.34Å; L140-F142 HydrophobicContact CG-CE2 4.17Å; L140-F142 PolarHBondContact O-N 3.37Å; L140-F142 VanDerWaalsContact O-N 3.15Å; F142-Y144 HydrophobicContact CB-CD1 4.32Å; F142-Y144 HydrophobicContact CB-CE1 3.9Å; F142-Y144 HydrophobicContact CB-CE2 4.25Å; F142-Y144 HydrophobicContact CD2-CE1 4.18Å; F142-Y144 WeakPolarHBondContact O-CD2 3.43Å; F142-Y144 WeakPolarHBondContact O-CE2 3.37Å; F142-Y144 PolarHBondContact O-N 3.2Å; F142-Y226 HydrophobicContact CB-CD1 3.48Å; F142-Y226 VanDerWaalsContact CB-CD1 3.48Å; F142-Y226 HydrophobicContact CB-CD2 4.23Å; F142-Y226 HydrophobicContact CB-CE1 3.79Å; F142-Y226 HydrophobicContact CB-CG 3.73Å; F142-Y226 HydrophobicContact CD1-CD1 4.07Å; F142-Y226 AromaticContact CD1-CE1 3.44Å; F142-Y226 HydrophobicContact CD1-CE1 3.44Å; F142-Y226 VanDerWaalsContact CD1-CE1 3.44Å; F142-Y226 AromaticContact CD1-CZ 3.73Å; F142-Y226 AromaticContact CD2-CD1 3.72Å; F142-Y226 HydrophobicContact CD2-CD1 3.72Å; F142-Y226 AromaticContact CD2-CE1 3.7Å; F142-Y226 HydrophobicContact CD2-CE1 3.7Å; F142-Y226 AromaticContact CE1-CE1 3.9Å; F142-Y226 HydrophobicContact CE1-CE1 3.9Å; F142-Y226 HydrophobicContact CE2-CD1 4.47Å; F142-Y226 HydrophobicContact CE2-CE1 4.11Å; F142-Y226 AromaticContact CG-CD1 3.49Å; F142-Y226 HydrophobicContact CG-CD1 3.49Å; F142-Y226 VanDerWaalsContact CG-CD1 3.49Å; F142-Y226 AromaticContact CG-CE1 3.36Å; F142-Y226 HydrophobicContact CG-CE1 3.36Å; F142-Y226 HydrophobicContact CG-CG 4.24Å; F142-Y226 HydrophobicContact CZ-CE1 4.22Å; F142-W263 AromaticContact CE2-CH2 3.54Å; F142-W263 HydrophobicContact CE2-CH2 3.54Å; F142-W263 HydrophobicContact CE2-CZ2 4.14Å; F142-W263 HydrophobicContact CE2-CZ3 4.05Å; F142-W263 AromaticContact CZ-CH2 3.5Å; F142-W263 HydrophobicContact CZ-CH2 3.5Å; F142-W263 HydrophobicContact CZ-CZ2 4.28Å; F142-W263 HydrophobicContact CZ-CZ3 4.21Å
143	P	97.1	Very high	98.2	Very high	92 Å²	92	52.1 Å²	52.1	60%	0.597	24%	0.241	S	C	*	.			trans	-75.5	71.1	174.9	32.4	-35.5	0	0	0	110.5	R145 Y226	P143-R145 PolarHBondContact O-N 3.31Å; P143-R145 VanDerWaalsContact O-N 3.12Å; P143-Y226 HydrophobicContact CG-CD2 3.83Å; P143-Y226 HydrophobicContact CG-CE2 4.11Å
144	Y	98.1	Very high	98.2	Very high	22 Å²	22	52.6 Å²	52.6	9%	0.086	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	114.5	179.6	-57.3	-70.1	0	0	0	110.4	L104 L137 F142 L166 Y226 V228	L104-Y144 HydrophobicContact CD1-CE1 4.4Å; L104-Y144 HydrophobicContact CD2-CE1 4.4Å; L137-Y144 WeakPolarHBondContact CA-OH 3.47Å; L137-Y144 HydrophobicContact CB-CE2 4.25Å; L137-Y144 HydrophobicContact CD2-CE1 4.21Å; L137-Y144 VanDerWaalsContact O-CE2 3.29Å; L137-Y144 WeakPolarHBondContact O-CE2 3.44Å; L137-Y144 PolarHBondContact O-OH 3.17Å; F142-Y144 HydrophobicContact CB-CD1 4.32Å; F142-Y144 HydrophobicContact CB-CE1 3.9Å; F142-Y144 HydrophobicContact CB-CE2 4.25Å; F142-Y144 HydrophobicContact CD2-CE1 4.18Å; F142-Y144 WeakPolarHBondContact O-CD2 3.43Å; F142-Y144 WeakPolarHBondContact O-CE2 3.37Å; F142-Y144 PolarHBondContact O-N 3.2Å; Y144-L166 HydrophobicContact CD2-CD1 4.23Å; Y144-L166 HydrophobicContact CD2-CD2 3.69Å; Y144-L166 HydrophobicContact CE2-CD1 4.5Å; Y144-L166 HydrophobicContact CE2-CD2 3.7Å; Y144-Y226 CarbonylContact C-O 3.58Å; Y144-Y226 WeakPolarHBondContact CA-O 3.46Å; Y144-V228 HydrophobicContact CD1-CG2 3.6Å; Y144-V228 HydrophobicContact CE1-CG2 4.07Å; Y144-V228 HydrophobicContact CG-CG2 4.33Å
145	R	95.8	Very high	98.2	Very high	146 Å²	146	52.6 Å²	52.6	55%	0.551	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	-43.4	-175.3	-176.9	178.6	109.9	106.6	-6.6	112	P143 Y226	P143-R145 PolarHBondContact O-N 3.31Å; P143-R145 VanDerWaalsContact O-N 3.12Å; R145-Y226 PolarHBondContact N-O 3.43Å
146	K	97.5	Very high	98.2	Very high	41 Å²	41	50.7 Å²	50.7	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	147.5	-172.1	-165.8	155.1	176.5	179.2	0	111.1	Y148 Q170 E172 V228	K146-Y148 HydrophobicContact CB-CE2 4.23Å; K146-Y148 HydrophobicContact CD-CE1 3.98Å; K146-Y148 HydrophobicContact CD-CE2 4.22Å; K146-Y148 WeakPolarHBondContact CD-OH 3.35Å; K146-Y148 HydrophobicContact CG-CE1 4.31Å; K146-Y148 HydrophobicContact CG-CE2 4.02Å; K146-Q170 WeakPolarHBondContact CA-O 3.48Å; K146-E172 WeakPolarHBondContact CE-OE2 3.16Å; K146-E172 IonicContact NZ-OE2 2.63Å; K146-E172 PolarHBondContact NZ-OE2 3.02Å; K146-V228 PolarHBondContact O-N 3.11Å
147	L	98.6	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.9	170.6	-172.9	151.4	0	0	0	109.5	Y149 A159 V162 L163 V169 Q170 A171 E172 V228 V230	L147-Y149 HydrophobicContact CD2-CD1 3.82Å; L147-Y149 HydrophobicContact CD2-CG 4.38Å; L147-A159 HydrophobicContact CD2-CB 4Å; L147-V162 HydrophobicContact CD1-CG1 3.92Å; L147-L163 HydrophobicContact CB-CD2 4.35Å; L147-L163 HydrophobicContact CD1-CD2 4.06Å; L147-L163 HydrophobicContact CD1-CG 4.15Å; L147-V169 HydrophobicContact CB-CG1 4.01Å; L147-Q170 PolarHBondContact N-O 3.18Å; L147-A171 HydrophobicContact CD2-CB 4.42Å; L147-A171 CarbonylContact O-C 3.29Å; L147-A171 WeakPolarHBondContact O-CA 3.41Å; L147-E172 PolarHBondContact O-N 3.25Å; L147-V228 CarbonylContact C-O 3.52Å; L147-V228 VanDerWaalsContact CA-O 3.28Å; L147-V228 WeakPolarHBondContact CA-O 3.03Å; L147-V228 HydrophobicContact CB-CB 4.29Å; L147-V228 HydrophobicContact CD1-CB 4.18Å; L147-V228 HydrophobicContact CD1-CG1 3.84Å; L147-V228 HydrophobicContact CG-CB 4.07Å; L147-V228 HydrophobicContact CG-CG1 4.04Å; L147-V230 HydrophobicContact CD1-CG2 4.14Å; L147-V230 HydrophobicContact CD2-CG2 4.11Å; L147-V230 HydrophobicContact CG-CG2 4.32Å
148	Y	98.7	Very high	98.2	Very high	19 Å²	19	48.2 Å²	48.2	8%	0.075	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.3	169.6	-58.8	-86.6	0	0	0	109	K146 E172 V228 F229 V230	K146-Y148 HydrophobicContact CB-CE2 4.23Å; K146-Y148 HydrophobicContact CD-CE1 3.98Å; K146-Y148 HydrophobicContact CD-CE2 4.22Å; K146-Y148 WeakPolarHBondContact CD-OH 3.35Å; K146-Y148 HydrophobicContact CG-CE1 4.31Å; K146-Y148 HydrophobicContact CG-CE2 4.02Å; Y148-E172 WeakPolarHBondContact CA-O 3.48Å; Y148-E172 HydrophobicContact CD1-CB 3.93Å; Y148-E172 HydrophobicContact CD1-CG 4.36Å; Y148-E172 HydrophobicContact CE1-CB 4.18Å; Y148-V228 PolarHBondContact N-O 3.28Å; Y148-F229 HydrophobicContact CD2-CD1 4.01Å; Y148-F229 AromaticContact CD2-CE1 3.44Å; Y148-F229 HydrophobicContact CD2-CE1 3.44Å; Y148-F229 VanDerWaalsContact CD2-CE1 3.44Å; Y148-F229 HydrophobicContact CD2-CE2 4.23Å; Y148-F229 AromaticContact CD2-CZ 3.56Å; Y148-F229 HydrophobicContact CD2-CZ 3.56Å; Y148-F229 HydrophobicContact CE2-CE1 4.18Å; Y148-F229 AromaticContact CE2-CZ 3.96Å; Y148-F229 HydrophobicContact CE2-CZ 3.96Å; Y148-F229 HydrophobicContact CG-CD1 4.21Å; Y148-F229 AromaticContact CG-CE1 3.86Å; Y148-F229 HydrophobicContact CG-CE1 3.86Å; Y148-F229 HydrophobicContact CG-CZ 4.43Å; Y148-F229 CarbonylContact O-C 3.48Å; Y148-F229 VanDerWaalsContact O-CA 3.25Å; Y148-F229 WeakPolarHBondContact O-CA 3.14Å; Y148-V230 PolarHBondContact O-N 3.24Å
149	Y	98.8	Very high	98.2	Very high	48 Å²	48	42 Å²	42	19%	0.188	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.6	177.4	62.1	-86.6	0	0	0	112.3	L147 V156 A159 A171 E172 P173 S174 V230	L147-Y149 HydrophobicContact CD2-CD1 3.82Å; L147-Y149 HydrophobicContact CD2-CG 4.38Å; Y149-V156 HydrophobicContact CD2-CG2 4.15Å; Y149-V156 HydrophobicContact CE2-CG1 4.46Å; Y149-V156 HydrophobicContact CE2-CG2 4.06Å; Y149-A159 HydrophobicContact CD1-CB 4Å; Y149-A159 HydrophobicContact CD2-CB 4.17Å; Y149-A159 HydrophobicContact CG-CB 3.63Å; Y149-A171 HydrophobicContact CD1-CB 4.28Å; Y149-A171 HydrophobicContact CE1-CB 3.92Å; Y149-E172 PolarHBondContact N-O 3.44Å; Y149-P173 HydrophobicContact CD2-CB 4.43Å; Y149-P173 HydrophobicContact CE1-CB 4.34Å; Y149-P173 HydrophobicContact CE2-CB 3.71Å; Y149-P173 CarbonylContact O-C 3.55Å; Y149-P173 WeakPolarHBondContact O-CA 3.26Å; Y149-S174 PolarHBondContact O-N 3.19Å; Y149-V230 CarbonylContact C-O 3.52Å; Y149-V230 VanDerWaalsContact CA-O 3.29Å; Y149-V230 WeakPolarHBondContact CA-O 3.39Å
150	S	98.8	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	143.1	173.7	176.3	0	0	0	0	110.8	M152 I177 R178 V230 H232	S150-M152 PolarHBondContact O-N 3.47Å; S150-M152 PolarHBondContact OG-N 2.93Å; S150-I177 WeakPolarHBondContact CB-O 3.49Å; S150-I177 PolarHBondContact OG-O 3.35Å; S150-R178 VanDerWaalsContact OG-CA 3.29Å; S150-R178 WeakPolarHBondContact OG-CA 3.49Å; S150-V230 PolarHBondContact N-O 3.45Å; S150-H232 WeakPolarHBondContact CB-NE2 3.42Å; S150-H232 PolarHBondContact OG-NE2 2.95Å
151	T	98.7	Very high	98.3	Very high	39 Å²	39	41.2 Å²	41.2	24%	0.239	20%	0.202	C	C	.	.	S	Bend	trans	-72.4	2.6	174.7	54.3	0	0	0	0	114.5	P173 D175 R178	T151-P173 HydrophobicContact CG2-CB 3.97Å; T151-D175 VanDerWaalsContact CB-OD1 3.28Å; T151-D175 WeakPolarHBondContact CB-OD1 3.34Å; T151-D175 VanDerWaalsContact CG2-OD1 3.23Å; T151-D175 WeakPolarHBondContact CG2-OD1 3.5Å; T151-D175 PolarHBondContact OG1-OD1 3.48Å; T151-R178 PolarHBondContact O-NH1 2.76Å; T151-R178 VanDerWaalsContact O-NH1 3.16Å; T151-R178 WeakPolarHBondContact OG1-CD 3.24Å; T151-R178 WeakPolarHBondContact OG1-CG 3.29Å; T151-R178 PolarHBondContact OG1-NH1 3.39Å
152	M	98.7	Very high	98.4	Very high	28 Å²	28	34.9 Å²	34.9	14%	0.138	17%	0.168	C	C	.	.	S	Bend	trans	-73.9	138.3	173.5	-71.8	-173.5	109.4	0	0	110.8	D117 S150 R154 A155 V156 R178 E179 H232	D117-M152 WeakPolarHBondContact OD2-CA 3.21Å; S150-M152 PolarHBondContact O-N 3.47Å; S150-M152 PolarHBondContact OG-N 2.93Å; M152-R154 PolarHBondContact O-N 2.9Å; M152-R154 PolarHBondContact SD-NH2 3.3Å; M152-A155 WeakPolarHBondContact O-CA 3.43Å; M152-A155 WeakPolarHBondContact O-CB 3.28Å; M152-A155 PolarHBondContact O-N 3.08Å; M152-V156 PolarHBondContact O-N 3.22Å; M152-R178 HydrophobicContact CG-CB 4.25Å; M152-R178 HydrophobicContact CG-CG 4.06Å; M152-R178 VanDerWaalsContact CG-NH1 3.34Å; M152-R178 HydrophobicContact SD-CB 4.21Å; M152-E179 HydrophobicContact SD-CB 3.86Å; M152-E179 PolarHBondContact SD-N 2.84Å; M152-E179 VanDerWaalsContact SD-N 3.44Å; M152-H232 VanDerWaalsContact SD-CE1 3.51Å
153	T	98.7	Very high	98.4	Very high	26 Å²	26	34.4 Å²	34.4	16%	0.16	17%	0.168	C	C	.	.	H	α-helix	trans	-47.2	-52.1	-171.7	-55.6	0	0	0	0	113.3	D117 A155 V156 E157	D117-T153 WeakPolarHBondContact O-CB 3.09Å; D117-T153 PolarHBondContact O-OG1 3.36Å; T153-A155 VanDerWaalsContact C-N 3.26Å; T153-A155 PolarHBondContact O-N 2.99Å; T153-V156 PolarHBondContact O-N 3.1Å; T153-E157 PolarHBondContact O-N 2.85Å
154	R	98.6	Very high	98.4	Very high	11 Å²	11	36 Å²	36	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-56.9	-34	176.7	63.2	-168.6	179.2	-81	1	114.4	H108 Y111 D117 C120 L122 M152 S158 H232	H108-R154 HydrophobicContact CB-CB 4.46Å; H108-R154 HydrophobicContact CB-CG 4.17Å; H108-R154 PolarHBondContact NE2-NE 2.96Å; Y111-R154 HydrophobicContact CD2-CB 4.24Å; Y111-R154 HydrophobicContact CG-CB 3.96Å; Y111-R154 HydrophobicContact CG-CG 4.4Å; D117-R154 IonicContact OD1-NH1 2.77Å; D117-R154 PolarHBondContact OD1-NH1 3.39Å; C120-R154 PolarHBondContact O-N 3.22Å; L122-R154 HydrophobicContact CD2-CB 4.28Å; M152-R154 PolarHBondContact O-N 2.9Å; M152-R154 PolarHBondContact SD-NH2 3.3Å; R154-S158 VanDerWaalsContact O-CB 3.26Å; R154-S158 WeakPolarHBondContact O-CB 3.5Å; R154-S158 PolarHBondContact O-N 2.85Å; R154-S158 VanDerWaalsContact O-N 3.15Å; R154-S158 PolarHBondContact O-OG 3.17Å; R154-H232 PolarHBondContact NE-ND1 2.79Å; R154-H232 PolarHBondContact NH2-CE1 3.27Å; R154-H232 VanDerWaalsContact NH2-CE1 3.28Å; R154-H232 PolarHBondContact NH2-ND1 3.48Å; R154-H232 VanDerWaalsContact NH2-ND1 3.13Å
155	A	98.8	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-81.6	-34.8	179.4	0	0	0	0	0	111.9	M152 T153 S158 A159	M152-A155 WeakPolarHBondContact O-CA 3.43Å; M152-A155 WeakPolarHBondContact O-CB 3.28Å; M152-A155 PolarHBondContact O-N 3.08Å; T153-A155 VanDerWaalsContact C-N 3.26Å; T153-A155 PolarHBondContact O-N 2.99Å; A155-S158 PolarHBondContact O-N 3.18Å; A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 2.9Å
156	V	98.8	Very high	98.5	Very high	40 Å²	40	29.7 Å²	29.7	24%	0.242	15%	0.149	C	C	.	.	H	α-helix	trans	-59.4	-55.8	171.2	177.2	0	0	0	0	110	Y149 M152 T153 S158 A159 E160	Y149-V156 HydrophobicContact CD2-CG2 4.15Å; Y149-V156 HydrophobicContact CE2-CG1 4.46Å; Y149-V156 HydrophobicContact CE2-CG2 4.06Å; M152-V156 PolarHBondContact O-N 3.22Å; T153-V156 PolarHBondContact O-N 3.1Å; V156-S158 PolarHBondContact O-N 3.46Å; V156-A159 WeakPolarHBondContact O-CB 3.39Å; V156-A159 PolarHBondContact O-N 3.32Å; V156-A159 VanDerWaalsContact O-N 3.08Å; V156-E160 WeakPolarHBondContact O-CG 3.22Å; V156-E160 PolarHBondContact O-N 2.9Å
157	E	98.8	Very high	98.3	Very high	24 Å²	24	32.9 Å²	32.9	11%	0.112	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-35.8	178.3	-66.1	-169.9	145.6	0	0	112.2	H121 L122 R127 T153 L161	H121-E157 IonicContact CE1-OE1 2.79Å; H121-E157 IonicContact CG-OE1 3.62Å; H121-E157 IonicContact ND1-OE1 2.99Å; H121-E157 PolarHBondContact ND1-OE1 2.9Å; H121-E157 IonicContact ND1-OE2 2.97Å; L122-E157 VanDerWaalsContact CB-OE2 3.28Å; L122-E157 WeakPolarHBondContact CB-OE2 3.33Å; L122-E157 HydrophobicContact CD1-CB 3.7Å; L122-E157 HydrophobicContact CG-CB 3.92Å; L122-E157 VanDerWaalsContact CG-OE2 3.28Å; L122-E157 WeakPolarHBondContact CG-OE2 3.41Å; L122-E157 PolarHBondContact N-OE2 2.84Å; R127-E157 IonicContact CZ-OE2 3.9Å; R127-E157 VanDerWaalsContact NH2-CD 3.35Å; R127-E157 IonicContact NH2-OE1 3.88Å; R127-E157 PolarHBondContact NH2-OE1 2.77Å; R127-E157 IonicContact NH2-OE2 3.19Å; R127-E157 PolarHBondContact NH2-OE2 2.85Å; T153-E157 PolarHBondContact O-N 2.85Å; E157-L161 WeakPolarHBondContact O-CG 3.49Å; E157-L161 PolarHBondContact O-N 2.94Å
158	S	98.9	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-42.1	176.1	-65.7	0	0	0	0	111.8	H108 G109 R154 A155 V156 L161 V162	H108-S158 WeakPolarHBondContact CA-OG 3.46Å; G109-S158 PolarHBondContact N-OG 3.44Å; R154-S158 VanDerWaalsContact O-CB 3.26Å; R154-S158 WeakPolarHBondContact O-CB 3.5Å; R154-S158 PolarHBondContact O-N 2.85Å; R154-S158 VanDerWaalsContact O-N 3.15Å; R154-S158 PolarHBondContact O-OG 3.17Å; A155-S158 PolarHBondContact O-N 3.18Å; V156-S158 PolarHBondContact O-N 3.46Å; S158-L161 PolarHBondContact O-N 3.22Å; S158-V162 WeakPolarHBondContact O-CG2 3.41Å; S158-V162 PolarHBondContact O-N 3.09Å; S158-V162 VanDerWaalsContact O-N 3.08Å
159	A	98.8	Very high	98.1	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-42.2	179	0	0	0	0	0	111.5	L147 Y149 A155 V156 L161 V162 L163 V230	L147-A159 HydrophobicContact CD2-CB 4Å; Y149-A159 HydrophobicContact CD1-CB 4Å; Y149-A159 HydrophobicContact CD2-CB 4.17Å; Y149-A159 HydrophobicContact CG-CB 3.63Å; A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 2.9Å; V156-A159 WeakPolarHBondContact O-CB 3.39Å; V156-A159 PolarHBondContact O-N 3.32Å; V156-A159 VanDerWaalsContact O-N 3.08Å; A159-L161 PolarHBondContact O-N 3.23Å; A159-V162 PolarHBondContact O-N 3.07Å; A159-L163 WeakPolarHBondContact O-CB 3.49Å; A159-L163 WeakPolarHBondContact O-CD1 3.34Å; A159-L163 VanDerWaalsContact O-CG 3.23Å; A159-L163 WeakPolarHBondContact O-CG 3.32Å; A159-L163 PolarHBondContact O-N 3.41Å; A159-V230 HydrophobicContact CB-CB 4.21Å; A159-V230 HydrophobicContact CB-CG1 4.34Å; A159-V230 HydrophobicContact CB-CG2 4.25Å
160	E	98.4	Very high	98	Very high	112 Å²	112	45.2 Å²	45.2	52%	0.523	24%	0.241	S	C	.	.	H	α-helix	trans	-57.3	-47.1	175	-69.7	173.7	170.8	0	0	111.8	V156 V162 L163 N164	V156-E160 WeakPolarHBondContact O-CG 3.22Å; V156-E160 PolarHBondContact O-N 2.9Å; E160-V162 PolarHBondContact O-N 3.47Å; E160-L163 PolarHBondContact O-N 2.89Å; E160-N164 PolarHBondContact O-N 3.15Å; E160-N164 VanDerWaalsContact O-N 3.12Å
161	L	98.7	Very high	97.9	Very high	34 Å²	34	47.3 Å²	47.3	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-38.3	178	-70.9	170.6	0	0	0	112.9	L122 R127 L130 E157 S158 A159 H165	L122-L161 HydrophobicContact CD1-CD1 3.74Å; R127-L161 HydrophobicContact CB-CD1 3.98Å; R127-L161 HydrophobicContact CG-CD1 3.97Å; L130-L161 HydrophobicContact CB-CB 3.84Å; L130-L161 HydrophobicContact CB-CD1 3.96Å; E157-L161 WeakPolarHBondContact O-CG 3.49Å; E157-L161 PolarHBondContact O-N 2.94Å; S158-L161 PolarHBondContact O-N 3.22Å; A159-L161 PolarHBondContact O-N 3.23Å; L161-H165 PolarHBondContact O-CD2 3.1Å
162	V	98.6	Very high	97.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-42.6	175.1	170.1	0	0	0	0	111.1	I106 L130 L137 L147 S158 A159 E160 N164 H165 L166	I106-V162 HydrophobicContact CD1-CG1 4.31Å; I106-V162 HydrophobicContact CD1-CG2 4.36Å; L130-V162 HydrophobicContact CD1-CG2 3.82Å; L137-V162 HydrophobicContact CD1-CG1 3.59Å; L147-V162 HydrophobicContact CD1-CG1 3.92Å; S158-V162 WeakPolarHBondContact O-CG2 3.41Å; S158-V162 PolarHBondContact O-N 3.09Å; S158-V162 VanDerWaalsContact O-N 3.08Å; A159-V162 PolarHBondContact O-N 3.07Å; E160-V162 PolarHBondContact O-N 3.47Å; V162-N164 VanDerWaalsContact C-N 3.26Å; V162-N164 PolarHBondContact O-N 3.46Å; V162-H165 PolarHBondContact O-N 3Å; V162-L166 HydrophobicContact CG1-CD1 4.07Å
163	L	98.3	Very high	97.9	Very high	39 Å²	39	50.1 Å²	50.1	20%	0.204	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-27.5	-179.4	-75.4	164.8	0	0	0	113	L147 A159 E160 H165 L166 V169 A171	L147-L163 HydrophobicContact CB-CD2 4.35Å; L147-L163 HydrophobicContact CD1-CD2 4.06Å; L147-L163 HydrophobicContact CD1-CG 4.15Å; A159-L163 WeakPolarHBondContact O-CB 3.49Å; A159-L163 WeakPolarHBondContact O-CD1 3.34Å; A159-L163 VanDerWaalsContact O-CG 3.23Å; A159-L163 WeakPolarHBondContact O-CG 3.32Å; A159-L163 PolarHBondContact O-N 3.41Å; E160-L163 PolarHBondContact O-N 2.89Å; L163-H165 PolarHBondContact O-N 3.44Å; L163-H165 VanDerWaalsContact O-N 3.08Å; L163-L166 CarbonylContact O-C 3.54Å; L163-L166 VanDerWaalsContact O-C 3.29Å; L163-L166 PolarHBondContact O-N 2.88Å; L163-V169 HydrophobicContact CD2-CB 4.4Å; L163-A171 HydrophobicContact CD1-CB 3.61Å; L163-A171 HydrophobicContact CD2-CB 4.17Å
164	N	98.1	Very high	97.9	Very high	124 Å²	124	49.3 Å²	49.3	66%	0.663	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.8	171.3	-70.4	-24.4	0	0	0	113.1	E160 V162	E160-N164 PolarHBondContact O-N 3.15Å; E160-N164 VanDerWaalsContact O-N 3.12Å; V162-N164 VanDerWaalsContact C-N 3.26Å; V162-N164 PolarHBondContact O-N 3.46Å
165	H	98.4	Very high	97.9	Very high	24 Å²	24	53.7 Å²	53.7	11%	0.111	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-6	176.8	-65	-81.7	0	0	0	113.6	D131 G134 K135 R138 L161 V162 L163	D131-H165 IonicContact OD1-CE1 3.73Å; D131-H165 PolarHBondContact OD1-CE1 2.82Å; D131-H165 VanDerWaalsContact OD1-CE1 3.29Å; D131-H165 IonicContact OD1-NE2 3.73Å; D131-H165 PolarHBondContact OD1-NE2 3.39Å; G134-H165 VanDerWaalsContact C-CG 3.45Å; G134-H165 VanDerWaalsContact O-CB 3.31Å; G134-H165 WeakPolarHBondContact O-CB 3.3Å; K135-H165 VanDerWaalsContact CG-CE1 3.44Å; K135-H165 WeakPolarHBondContact CG-CE1 3.2Å; R138-H165 HydrophobicContact CB-CB 4.28Å; L161-H165 PolarHBondContact O-CD2 3.1Å; V162-H165 PolarHBondContact O-N 3Å; L163-H165 PolarHBondContact O-N 3.44Å; L163-H165 VanDerWaalsContact O-N 3.08Å
166	L	97.5	Very high	97.8	Very high	12 Å²	12	54.9 Å²	54.9	6%	0.063	30%	0.303	C	S	.	.			trans	-130.7	58.8	-175.7	-61	-178.9	0	0	0	111.4	L137 Y144 V162 L163 N168 V169	L137-L166 HydrophobicContact CB-CD1 4.16Å; L137-L166 HydrophobicContact CB-CD2 4.19Å; L137-L166 HydrophobicContact CD1-CD1 3.91Å; Y144-L166 HydrophobicContact CD2-CD1 4.23Å; Y144-L166 HydrophobicContact CD2-CD2 3.69Å; Y144-L166 HydrophobicContact CE2-CD1 4.5Å; Y144-L166 HydrophobicContact CE2-CD2 3.7Å; V162-L166 HydrophobicContact CG1-CD1 4.07Å; L163-L166 CarbonylContact O-C 3.54Å; L163-L166 VanDerWaalsContact O-C 3.29Å; L163-L166 PolarHBondContact O-N 2.88Å; L166-N168 PolarHBondContact O-N 2.83Å; L166-V169 HydrophobicContact CB-CB 4.22Å; L166-V169 HydrophobicContact CB-CG2 3.79Å; L166-V169 HydrophobicContact CD1-CG2 4.49Å; L166-V169 PolarHBondContact O-N 3.29Å
167	P	93.5	Very high	97.8	Very high	108 Å²	108	53 Å²	53	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.2	-164.7	24.7	-36.2	0	0	0	115.5
168	N	94.6	Very high	97.8	Very high	160 Å²	160	54.8 Å²	54.8	86%	0.856	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	1.6	-178	-61.5	-34.4	0	0	0	113.4	L166	L166-N168 PolarHBondContact O-N 2.83Å
169	V	97.5	Very high	97.8	Very high	20 Å²	20	56.7 Å²	56.7	12%	0.121	31%	0.307	C	S	.	.			trans	-90.8	122.8	-176	-178.8	0	0	0	0	109.6	L147 L163 L166	L147-V169 HydrophobicContact CB-CG1 4.01Å; L163-V169 HydrophobicContact CD2-CB 4.4Å; L166-V169 HydrophobicContact CB-CB 4.22Å; L166-V169 HydrophobicContact CB-CG2 3.79Å; L166-V169 HydrophobicContact CD1-CG2 4.49Å; L166-V169 PolarHBondContact O-N 3.29Å
170	Q	96.5	Very high	97.7	Very high	147 Å²	147	57 Å²	57	69%	0.687	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	142	172.5	-66.6	-177	-14.3	0	0	110.6	K146 L147	K146-Q170 WeakPolarHBondContact CA-O 3.48Å; L147-Q170 PolarHBondContact N-O 3.18Å
171	A	98.1	Very high	97.7	Very high	44 Å²	44	51.7 Å²	51.7	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.1	-179.6	0	0	0	0	0	112.2	L147 Y149 L163	L147-A171 HydrophobicContact CD2-CB 4.42Å; L147-A171 CarbonylContact O-C 3.29Å; L147-A171 WeakPolarHBondContact O-CA 3.41Å; Y149-A171 HydrophobicContact CD1-CB 4.28Å; Y149-A171 HydrophobicContact CE1-CB 3.92Å; L163-A171 HydrophobicContact CD1-CB 3.61Å; L163-A171 HydrophobicContact CD2-CB 4.17Å
172	E	98	Very high	97.6	Very high	57 Å²	57	50.1 Å²	50.1	27%	0.266	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.6	176.6	-178.3	178.4	140.7	0	0	111	K146 L147 Y148 Y149 R212	K146-E172 WeakPolarHBondContact CE-OE2 3.16Å; K146-E172 IonicContact NZ-OE2 2.63Å; K146-E172 PolarHBondContact NZ-OE2 3.02Å; L147-E172 PolarHBondContact O-N 3.25Å; Y148-E172 WeakPolarHBondContact CA-O 3.48Å; Y148-E172 HydrophobicContact CD1-CB 3.93Å; Y148-E172 HydrophobicContact CD1-CG 4.36Å; Y148-E172 HydrophobicContact CE1-CB 4.18Å; Y149-E172 PolarHBondContact N-O 3.44Å; E172-R212 IonicContact OE1-NH2 2.7Å
173	P	98.4	Very high	97.5	Very high	69 Å²	69	54.1 Å²	54.1	45%	0.448	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	148.7	171.8	29.2	-33.1	0	0	0	111.1	Y149 T151	Y149-P173 HydrophobicContact CD2-CB 4.43Å; Y149-P173 HydrophobicContact CE1-CB 4.34Å; Y149-P173 HydrophobicContact CE2-CB 3.71Å; Y149-P173 CarbonylContact O-C 3.55Å; Y149-P173 WeakPolarHBondContact O-CA 3.26Å; T151-P173 HydrophobicContact CG2-CB 3.97Å
174	S	98.3	Very high	97.4	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.063	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	119.8	178.8	178.3	0	0	0	0	112.6	Y149 A176	Y149-S174 PolarHBondContact O-N 3.19Å; S174-A176 PolarHBondContact O-N 3.29Å; S174-A176 WeakPolarHBondContact OG-CB 3.43Å; S174-A176 PolarHBondContact OG-N 3.47Å
175	D	98.2	Very high	97.2	Very high	103 Å²	103	52.1 Å²	52.1	55%	0.551	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-69	-23.7	171	-69.4	-43.3	0	0	0	112.4	T151 I177 R178	T151-D175 VanDerWaalsContact CB-OD1 3.28Å; T151-D175 WeakPolarHBondContact CB-OD1 3.34Å; T151-D175 VanDerWaalsContact CG2-OD1 3.23Å; T151-D175 WeakPolarHBondContact CG2-OD1 3.5Å; T151-D175 PolarHBondContact OG1-OD1 3.48Å; D175-I177 PolarHBondContact O-N 3.1Å; D175-R178 WeakPolarHBondContact O-CG 3.23Å; D175-R178 PolarHBondContact O-N 3.31Å
176	A	97.8	Very high	97.1	Very high	24 Å²	24	55.8 Å²	55.8	20%	0.198	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-63.6	-27.8	-176.8	0	0	0	0	0	112.2	S174 R205 A209	S174-A176 PolarHBondContact O-N 3.29Å; S174-A176 WeakPolarHBondContact OG-CB 3.43Å; S174-A176 PolarHBondContact OG-N 3.47Å; A176-R205 PolarHBondContact O-NH1 2.95Å; A176-A209 HydrophobicContact CB-CB 3.86Å
177	I	98.5	Very high	97	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-105.4	22.8	-179	64.3	179.3	0	0	0	113.5	S150 D175 A209 F229 C231 H232 V235 F239	S150-I177 WeakPolarHBondContact CB-O 3.49Å; S150-I177 PolarHBondContact OG-O 3.35Å; D175-I177 PolarHBondContact O-N 3.1Å; I177-A209 HydrophobicContact CG2-CB 4.05Å; I177-F229 HydrophobicContact CD1-CD1 4.41Å; I177-C231 HydrophobicContact CB-CB 4.22Å; I177-C231 HydrophobicContact CD1-CB 4.16Å; I177-C231 HydrophobicContact CG1-CB 4.29Å; I177-H232 PolarHBondContact O-CD2 2.74Å; I177-H232 VanDerWaalsContact O-CD2 3.25Å; I177-V235 HydrophobicContact CB-CG1 4.43Å; I177-F239 HydrophobicContact CG2-CE2 4.38Å; I177-F239 HydrophobicContact CG2-CZ 4.28Å
178	R	98.7	Very high	97	Very high	63 Å²	63	57.9 Å²	57.9	24%	0.238	31%	0.313	C	S	.	.	S	Bend	trans	-61.2	152	165	-66.1	178.8	71.3	80.1	-0.2	110.9	D117 S150 T151 M152 D175 R205 V235	D117-R178 IonicContact OD2-CZ 2.91Å; D117-R178 IonicContact OD2-NH1 3.82Å; D117-R178 PolarHBondContact OD2-NH1 2.93Å; D117-R178 IonicContact OD2-NH2 3.75Å; D117-R178 PolarHBondContact OD2-NH2 2.79Å; S150-R178 VanDerWaalsContact OG-CA 3.29Å; S150-R178 WeakPolarHBondContact OG-CA 3.49Å; T151-R178 PolarHBondContact O-NH1 2.76Å; T151-R178 VanDerWaalsContact O-NH1 3.16Å; T151-R178 WeakPolarHBondContact OG1-CD 3.24Å; T151-R178 WeakPolarHBondContact OG1-CG 3.29Å; T151-R178 PolarHBondContact OG1-NH1 3.39Å; M152-R178 HydrophobicContact CG-CB 4.25Å; M152-R178 HydrophobicContact CG-CG 4.06Å; M152-R178 VanDerWaalsContact CG-NH1 3.34Å; M152-R178 HydrophobicContact SD-CB 4.21Å; D175-R178 WeakPolarHBondContact O-CG 3.23Å; D175-R178 PolarHBondContact O-N 3.31Å; R178-R205 PolarHBondContact O-NH1 2.59Å; R178-R205 PolarHBondContact O-NH2 2.88Å; R178-V235 VanDerWaalsContact O-CG2 3.31Å; R178-V235 WeakPolarHBondContact O-CG2 3.48Å
179	E	98.2	Very high	96.9	Very high	40 Å²	40	52.1 Å²	52.1	19%	0.187	28%	0.282	C	S	.	.			trans	-62	156.4	177.9	-167.8	59.9	-57.6	0	0	110.4	M152 R205 H232 A233 N234 V235	M152-E179 HydrophobicContact SD-CB 3.86Å; M152-E179 PolarHBondContact SD-N 2.84Å; M152-E179 VanDerWaalsContact SD-N 3.44Å; E179-R205 PolarHBondContact O-NH2 3.13Å; E179-H232 HydrophobicContact CB-CB 3.68Å; E179-H232 HydrophobicContact CG-CB 3.84Å; E179-H232 PolarHBondContact N-CD2 2.79Å; E179-H232 WeakPolarHBondContact OE1-CB 3.48Å; E179-H232 WeakPolarHBondContact OE2-CB 3.26Å; E179-A233 PolarHBondContact OE2-N 3.12Å; E179-N234 WeakPolarHBondContact OE1-CB 3.45Å; E179-N234 PolarHBondContact OE1-N 3.18Å; E179-N234 PolarHBondContact OE2-N 3.34Å; E179-V235 PolarHBondContact OE1-N 3.26Å
180	G	97.6	Very high	96.7	Very high	7 Å²	7	55.2 Å²	55.2	7%	0.072	31%	0.309	C	S	.	.			trans	-176.4	-173.5	176.8	0	0	0	0	0	113	P182 D202 N234	G180-P182 VanDerWaalsContact O-CD 3.24Å; G180-P182 WeakPolarHBondContact O-CD 3.06Å; G180-D202 VanDerWaalsContact CA-CG 3.48Å; G180-D202 WeakPolarHBondContact CA-OD2 3.48Å; G180-N234 WeakPolarHBondContact O-CB 3.19Å; G180-N234 PolarHBondContact O-ND2 3.02Å
181	A	97.5	Very high	96.5	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.008	31%	0.313	C	S	.	.			trans	-96	94.9	171.6	0	0	0	0	0	110.4	Y183 Y192 P194 D198 I199 D202 G203	A181-Y183 PolarHBondContact O-N 2.79Å; A181-Y192 WeakPolarHBondContact CB-OH 3.32Å; A181-P194 HydrophobicContact CB-CB 3.4Å; A181-P194 VanDerWaalsContact CB-CB 3.4Å; A181-P194 HydrophobicContact CB-CG 3.81Å; A181-D198 HydrophobicContact CB-CB 4.4Å; A181-I199 HydrophobicContact CB-CG1 4.22Å; A181-D202 PolarHBondContact N-OD2 2.72Å; A181-D202 WeakPolarHBondContact O-CB 3.47Å; A181-G203 PolarHBondContact O-N 3.44Å
182	P	97.6	Very high	96.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.013	31%	0.308	C	S	.	.			trans	-73.2	-28.9	-168.8	28.9	-36.7	0	0	0	114.1	G180 G203 I206 N234 Y238 W251	G180-P182 VanDerWaalsContact O-CD 3.24Å; G180-P182 WeakPolarHBondContact O-CD 3.06Å; P182-G203 WeakPolarHBondContact O-CA 2.79Å; P182-I206 HydrophobicContact CB-CB 4.4Å; P182-I206 HydrophobicContact CB-CD1 3.79Å; P182-I206 HydrophobicContact CB-CG2 4.12Å; P182-N234 HydrophobicContact CG-CB 4.25Å; P182-Y238 HydrophobicContact CB-CD1 4.25Å; P182-Y238 HydrophobicContact CB-CD2 3.6Å; P182-Y238 HydrophobicContact CB-CE2 4.28Å; P182-Y238 HydrophobicContact CB-CG 3.56Å; P182-Y238 HydrophobicContact CG-CD2 4.14Å; P182-Y238 HydrophobicContact CG-CG 4.17Å; P182-W251 HydrophobicContact CG-CD2 3.94Å; P182-W251 HydrophobicContact CG-CE3 4.24Å; P182-W251 HydrophobicContact CG-CG 4.35Å; P182-W251 HydrophobicContact CG-CH2 4.5Å; P182-W251 HydrophobicContact CG-CZ2 4.22Å
183	Y	96.9	Very high	96.1	Very high	83 Å²	83	63.6 Å²	63.6	33%	0.325	33%	0.329	S	S	.	.	S	Bend	trans	-164.7	165.1	-174	-154.2	-101.9	0	0	0	110	A181 Y238 P248 E249 W251	A181-Y183 PolarHBondContact O-N 2.79Å; Y183-Y238 HydrophobicContact CD2-CE2 4.47Å; Y183-P248 HydrophobicContact CD1-CB 4Å; Y183-P248 HydrophobicContact CD1-CG 4.04Å; Y183-P248 HydrophobicContact CD2-CB 4.43Å; Y183-P248 HydrophobicContact CE1-CB 4.26Å; Y183-P248 HydrophobicContact CE1-CG 3.78Å; Y183-P248 HydrophobicContact CE2-CG 4.33Å; Y183-P248 HydrophobicContact CG-CB 4.09Å; Y183-P248 HydrophobicContact CG-CG 4.44Å; Y183-E249 HydrophobicContact CD1-CG 3.85Å; Y183-E249 HydrophobicContact CE1-CG 3.59Å; Y183-E249 WeakPolarHBondContact CE1-OE1 3.47Å; Y183-W251 PolarHBondContact O-NE1 2.91Å
184	I	96	Very high	95.9	Very high	93 Å²	93	61.6 Å²	61.6	48%	0.477	32%	0.316	S	S	.	.			trans	-56.1	150.1	169.6	59.8	168.7	0	0	0	110.2	I199 E249 W251	I184-I199 HydrophobicContact CG2-CD1 3.93Å; I184-E249 HydrophobicContact CD1-CG 4.08Å; I184-E249 HydrophobicContact CG1-CG 3.87Å; I184-E249 WeakPolarHBondContact O-CA 3.49Å; I184-W251 PolarHBondContact O-NE1 3.48Å; I184-W251 VanDerWaalsContact O-NE1 3.17Å
185	L	93.7	Very high	95.8	Very high	29 Å²	29	64.3 Å²	64.3	15%	0.152	33%	0.332	C	S	.	.			trans	-107.2	137	-176.3	46.9	78.7	0	0	0	110.8	P188 Y192 W251 I252	L185-P188 HydrophobicContact CD1-CB 4.28Å; L185-Y192 HydrophobicContact CD2-CD1 3.55Å; L185-Y192 HydrophobicContact CD2-CE1 4.08Å; L185-W251 HydrophobicContact CB-CZ2 4.2Å; L185-W251 HydrophobicContact CD2-CZ2 4.42Å; L185-I252 HydrophobicContact CB-CB 4.19Å; L185-I252 HydrophobicContact CB-CG2 4.03Å
186	E	95.1	Very high	95.7	Very high	100 Å²	100	64.8 Å²	64.8	47%	0.467	34%	0.341	S	S	.	.	S	Bend	trans	-137.5	112.8	174.1	178.7	52.1	-129.8	0	0	109.1	E249 R253	E186-E249 HydrophobicContact CB-CB 3.87Å; E186-E249 PolarHBondContact N-O 2.71Å; E186-R253 VanDerWaalsContact O-CZ 3.29Å; E186-R253 PolarHBondContact O-NE 3.37Å; E186-R253 PolarHBondContact O-NH2 3.44Å
187	P	95.3	Very high	95.7	Very high	66 Å²	66	69.5 Å²	69.5	43%	0.429	36%	0.357	S	S	.	.	S	Bend	cis	-78.2	160.6	8.9	32.6	-37	0	0	0	114.7
188	P	94	Very high	95.6	Very high	99 Å²	99	72.3 Å²	72.3	64%	0.643	37%	0.372	S	S	*	.			trans	-58.8	138.6	172.8	23.6	-32.7	0	0	0	113.2	L185	L185-P188 HydrophobicContact CD1-CB 4.28Å
189	L	93.2	Very high	95.5	Very high	39 Å²	39	71.1 Å²	71.1	20%	0.204	37%	0.37	C	S	.	.			trans	-105	138	172.2	-64.7	-175.6	0	0	0	111.4	Y191 I252	L189-Y191 HydrophobicContact CD1-CE2 4.13Å; L189-Y191 HydrophobicContact CD2-CE1 4.48Å; L189-I252 HydrophobicContact CD1-CD1 3.67Å; L189-I252 HydrophobicContact CD1-CG1 3.44Å; L189-I252 VanDerWaalsContact CD1-CG1 3.44Å; L189-I252 HydrophobicContact CG-CG1 4.13Å
190	A	93.6	Very high	95.4	Very high	85 Å²	85	75.8 Å²	75.8	70%	0.702	39%	0.392	S	S	*	.	S	Bend	trans	-71.5	-33.4	-178.9	0	0	0	0	0	113.6	K193	A190-K193 WeakPolarHBondContact O-CE 3.39Å
191	Y	92.1	Very high	95.5	Very high	195 Å²	195	80.6 Å²	80.6	77%	0.765	41%	0.412	S	S	*	.	S	Bend	trans	-98.6	-9.7	-173.1	56.5	-95.4	0	0	0	114.1	L189	L189-Y191 HydrophobicContact CD1-CE2 4.13Å; L189-Y191 HydrophobicContact CD2-CE1 4.48Å
192	Y	93.4	Very high	95.5	Very high	66 Å²	66	82.2 Å²	82.2	26%	0.259	42%	0.421	S	S	.	.			trans	-127.9	103	179.7	-175.3	-104.5	0	0	0	109	A181 L185 P194 N234 W251	A181-Y192 WeakPolarHBondContact CB-OH 3.32Å; L185-Y192 HydrophobicContact CD2-CD1 3.55Å; L185-Y192 HydrophobicContact CD2-CE1 4.08Å; Y192-P194 HydrophobicContact CD1-CG 4.48Å; Y192-P194 HydrophobicContact CE1-CG 3.93Å; Y192-N234 PolarHBondContact OH-ND2 2.82Å; Y192-W251 HydrophobicContact CD1-CH2 4.46Å; Y192-W251 AromaticContact CE1-CH2 3.72Å; Y192-W251 HydrophobicContact CE1-CH2 3.72Å; Y192-W251 HydrophobicContact CE1-CZ2 4.22Å
193	K	93.4	Very high	95.5	Very high	162 Å²	162	82.6 Å²	82.6	70%	0.704	43%	0.425	S	S	*	.			trans	-130.8	75.3	-174	-64.8	-177.9	-179.6	173	0	109.5	A190	A190-K193 WeakPolarHBondContact O-CE 3.39Å
194	P	94.7	Very high	95.6	Very high	27 Å²	27	82.4 Å²	82.4	18%	0.175	44%	0.436	C	S	.	.			trans	-59.7	142.3	175.1	26.8	-34	0	0	0	110	A181 Y192 D198 I199	A181-P194 HydrophobicContact CB-CB 3.4Å; A181-P194 VanDerWaalsContact CB-CB 3.4Å; A181-P194 HydrophobicContact CB-CG 3.81Å; Y192-P194 HydrophobicContact CD1-CG 4.48Å; Y192-P194 HydrophobicContact CE1-CG 3.93Å; P194-D198 HydrophobicContact CB-CB 4.08Å; P194-I199 HydrophobicContact CB-CG1 4.04Å; P194-I199 HydrophobicContact CG-CD1 4.15Å; P194-I199 HydrophobicContact CG-CG1 4.02Å
195	T	96.4	Very high	95.7	Very high	67 Å²	67	80.7 Å²	80.7	41%	0.411	42%	0.423	S	S	.	.			trans	-70.9	159.5	175.3	69.4	0	0	0	0	110	K197 D198 I199	T195-K197 PolarHBondContact O-N 3.14Å; T195-D198 WeakPolarHBondContact CB-OD2 3.39Å; T195-D198 WeakPolarHBondContact CG2-OD2 3.43Å; T195-D198 PolarHBondContact N-OD2 3.19Å; T195-D198 PolarHBondContact O-N 3.19Å; T195-D198 PolarHBondContact OG1-N 2.8Å; T195-D198 VanDerWaalsContact OG1-N 3.15Å; T195-D198 PolarHBondContact OG1-OD1 3.15Å; T195-D198 PolarHBondContact OG1-OD2 3.16Å; T195-I199 WeakPolarHBondContact O-CG1 3.3Å; T195-I199 PolarHBondContact O-N 3.01Å; T195-I199 VanDerWaalsContact O-N 3.09Å
196	P	95.9	Very high	95.9	Very high	112 Å²	112	79.3 Å²	79.3	73%	0.727	42%	0.416	S	S	*	.	H	α-helix	trans	-53.7	-34.9	172.9	-28.2	36.3	0	0	0	113.1	I199 E200	P196-I199 PolarHBondContact O-N 2.72Å; P196-E200 WeakPolarHBondContact O-CB 3.36Å; P196-E200 PolarHBondContact O-N 2.91Å
197	K	97	Very high	96.1	Very high	123 Å²	123	75.6 Å²	75.6	54%	0.535	40%	0.399	S	S	.	.	H	α-helix	trans	-65.5	-45.1	176	-175.1	-176.7	174	-173.1	0	112	T195 I199 E200 E201	T195-K197 PolarHBondContact O-N 3.14Å; K197-I199 VanDerWaalsContact C-N 3.29Å; K197-I199 PolarHBondContact O-N 3.37Å; K197-E200 PolarHBondContact O-N 2.72Å; K197-E201 WeakPolarHBondContact CE-OE1 3.38Å; K197-E201 WeakPolarHBondContact CE-OE2 3.39Å; K197-E201 HydrophobicContact CG-CG 4.37Å; K197-E201 IonicContact NZ-OE1 3.48Å; K197-E201 PolarHBondContact O-N 3.45Å
198	D	96.7	Very high	96.2	Very high	60 Å²	60	78 Å²	78	32%	0.321	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-44.2	177.1	-56.2	-40.8	0	0	0	110.4	A181 P194 T195 E200 D202	A181-D198 HydrophobicContact CB-CB 4.4Å; P194-D198 HydrophobicContact CB-CB 4.08Å; T195-D198 WeakPolarHBondContact CB-OD2 3.39Å; T195-D198 WeakPolarHBondContact CG2-OD2 3.43Å; T195-D198 PolarHBondContact N-OD2 3.19Å; T195-D198 PolarHBondContact O-N 3.19Å; T195-D198 PolarHBondContact OG1-N 2.8Å; T195-D198 VanDerWaalsContact OG1-N 3.15Å; T195-D198 PolarHBondContact OG1-OD1 3.15Å; T195-D198 PolarHBondContact OG1-OD2 3.16Å; D198-E200 PolarHBondContact O-N 3.45Å; D198-D202 WeakPolarHBondContact O-CB 3.42Å; D198-D202 PolarHBondContact O-N 2.92Å
199	I	96.9	Very high	96.4	Very high	38 Å²	38	73.3 Å²	73.3	20%	0.195	38%	0.377	C	S	.	.	H	α-helix	trans	-63.7	-40.7	178.5	-61.4	172.5	0	0	0	111.4	A181 I184 P194 T195 P196 K197 G203	A181-I199 HydrophobicContact CB-CG1 4.22Å; I184-I199 HydrophobicContact CG2-CD1 3.93Å; P194-I199 HydrophobicContact CB-CG1 4.04Å; P194-I199 HydrophobicContact CG-CD1 4.15Å; P194-I199 HydrophobicContact CG-CG1 4.02Å; T195-I199 WeakPolarHBondContact O-CG1 3.3Å; T195-I199 PolarHBondContact O-N 3.01Å; T195-I199 VanDerWaalsContact O-N 3.09Å; P196-I199 PolarHBondContact O-N 2.72Å; K197-I199 VanDerWaalsContact C-N 3.29Å; K197-I199 PolarHBondContact O-N 3.37Å; I199-G203 WeakPolarHBondContact O-CA 3.45Å; I199-G203 PolarHBondContact O-N 3.46Å
200	E	97.4	Very high	96.7	Very high	138 Å²	138	71.6 Å²	71.6	65%	0.645	37%	0.368	S	S	*	.	H	α-helix	trans	-66.6	-51	178.9	-176.9	176.2	-167.4	0	0	111.9	P196 K197 D198 S204	P196-E200 WeakPolarHBondContact O-CB 3.36Å; P196-E200 PolarHBondContact O-N 2.91Å; K197-E200 PolarHBondContact O-N 2.72Å; D198-E200 PolarHBondContact O-N 3.45Å; E200-S204 WeakPolarHBondContact O-CB 3.04Å; E200-S204 PolarHBondContact O-N 3.33Å; E200-S204 VanDerWaalsContact O-N 3.1Å; E200-S204 PolarHBondContact O-OG 3.06Å
201	E	97.8	Very high	96.9	Very high	108 Å²	108	75.4 Å²	75.4	51%	0.505	36%	0.364	S	S	.	.	H	α-helix	trans	-69.6	-51	-177	-69.2	-178.6	167.6	0	0	111.5	K197 R205	K197-E201 WeakPolarHBondContact CE-OE1 3.38Å; K197-E201 WeakPolarHBondContact CE-OE2 3.39Å; K197-E201 HydrophobicContact CG-CG 4.37Å; K197-E201 IonicContact NZ-OE1 3.48Å; K197-E201 PolarHBondContact O-N 3.45Å; E201-R205 WeakPolarHBondContact O-CB 3.13Å; E201-R205 PolarHBondContact O-N 3.2Å
202	D	98.4	Very high	97.2	Very high	35 Å²	35	72.8 Å²	72.8	19%	0.187	35%	0.353	C	S	.	.	H	α-helix	trans	-72.1	-41.2	-179.7	-70.2	-31	0	0	0	112.1	G180 A181 D198 S204 R205 I206	G180-D202 VanDerWaalsContact CA-CG 3.48Å; G180-D202 WeakPolarHBondContact CA-OD2 3.48Å; A181-D202 PolarHBondContact N-OD2 2.72Å; A181-D202 WeakPolarHBondContact O-CB 3.47Å; D198-D202 WeakPolarHBondContact O-CB 3.42Å; D198-D202 PolarHBondContact O-N 2.92Å; D202-S204 PolarHBondContact O-N 2.8Å; D202-R205 PolarHBondContact O-N 3.23Å; D202-R205 IonicContact OD1-CZ 2.83Å; D202-R205 IonicContact OD1-NE 3.49Å; D202-R205 IonicContact OD1-NH2 3.43Å; D202-R205 PolarHBondContact OD1-NH2 2.95Å; D202-I206 HydrophobicContact CB-CD1 4.46Å; D202-I206 WeakPolarHBondContact O-CB 3.34Å; D202-I206 VanDerWaalsContact O-CG1 3.23Å; D202-I206 WeakPolarHBondContact O-CG1 3.46Å; D202-I206 PolarHBondContact O-N 3.39Å
203	G	98.1	Very high	97.4	Very high	9 Å²	9	69.9 Å²	69.9	9%	0.093	34%	0.342	C	S	.	.	H	α-helix	trans	-60.3	-44.7	177.8	0	0	0	0	0	111.9	A181 P182 I199 R205 I206 E207	A181-G203 PolarHBondContact O-N 3.44Å; P182-G203 WeakPolarHBondContact O-CA 2.79Å; I199-G203 WeakPolarHBondContact O-CA 3.45Å; I199-G203 PolarHBondContact O-N 3.46Å; G203-R205 PolarHBondContact O-N 3.18Å; G203-I206 PolarHBondContact O-N 3.41Å; G203-E207 VanDerWaalsContact O-CB 3.28Å; G203-E207 WeakPolarHBondContact O-CB 3.35Å; G203-E207 PolarHBondContact O-N 3.25Å
204	S	98.1	Very high	97.6	Very high	79 Å²	79	62.2 Å²	62.2	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-62.3	-44.8	176	-62.2	0	0	0	0	112	E200 D202 L208	E200-S204 WeakPolarHBondContact O-CB 3.04Å; E200-S204 PolarHBondContact O-N 3.33Å; E200-S204 VanDerWaalsContact O-N 3.1Å; E200-S204 PolarHBondContact O-OG 3.06Å; D202-S204 PolarHBondContact O-N 2.8Å; S204-L208 WeakPolarHBondContact O-CB 3.33Å; S204-L208 PolarHBondContact O-N 2.81Å
205	R	98.6	Very high	97.7	Very high	58 Å²	58	61.9 Å²	61.9	22%	0.219	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-46	178.4	177.5	176.8	54.4	75.5	-7.3	112	A176 R178 E179 E201 D202 G203 L208 A209	A176-R205 PolarHBondContact O-NH1 2.95Å; R178-R205 PolarHBondContact O-NH1 2.59Å; R178-R205 PolarHBondContact O-NH2 2.88Å; E179-R205 PolarHBondContact O-NH2 3.13Å; E201-R205 WeakPolarHBondContact O-CB 3.13Å; E201-R205 PolarHBondContact O-N 3.2Å; D202-R205 PolarHBondContact O-N 3.23Å; D202-R205 IonicContact OD1-CZ 2.83Å; D202-R205 IonicContact OD1-NE 3.49Å; D202-R205 IonicContact OD1-NH2 3.43Å; D202-R205 PolarHBondContact OD1-NH2 2.95Å; G203-R205 PolarHBondContact O-N 3.18Å; R205-L208 PolarHBondContact O-N 2.87Å; R205-A209 WeakPolarHBondContact O-CB 3.34Å; R205-A209 PolarHBondContact O-N 2.73Å
206	I	98.7	Very high	97.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.1	-40.6	-178.9	-66.8	169.5	0	0	0	110.4	P182 D202 G203 L208 A209 F210 V235 Y238 F239	P182-I206 HydrophobicContact CB-CB 4.4Å; P182-I206 HydrophobicContact CB-CD1 3.79Å; P182-I206 HydrophobicContact CB-CG2 4.12Å; D202-I206 HydrophobicContact CB-CD1 4.46Å; D202-I206 WeakPolarHBondContact O-CB 3.34Å; D202-I206 VanDerWaalsContact O-CG1 3.23Å; D202-I206 WeakPolarHBondContact O-CG1 3.46Å; D202-I206 PolarHBondContact O-N 3.39Å; G203-I206 PolarHBondContact O-N 3.41Å; I206-L208 VanDerWaalsContact C-N 3.34Å; I206-L208 PolarHBondContact O-N 3.24Å; I206-A209 WeakPolarHBondContact O-CB 3.31Å; I206-A209 PolarHBondContact O-N 3.24Å; I206-F210 PolarHBondContact O-N 2.99Å; I206-V235 HydrophobicContact CD1-CG2 4Å; I206-V235 HydrophobicContact CG1-CG2 4.22Å; I206-Y238 HydrophobicContact CG2-CD1 3.45Å; I206-Y238 VanDerWaalsContact CG2-CD1 3.45Å; I206-Y238 HydrophobicContact CG2-CE1 4Å; I206-Y238 HydrophobicContact CG2-CG 4.13Å; I206-F239 HydrophobicContact CG2-CD1 4.32Å; I206-F239 HydrophobicContact CG2-CE1 3.81Å; I206-F239 WeakPolarHBondContact O-CE1 3.44Å
207	E	98.4	Very high	97.8	Very high	21 Å²	21	53.5 Å²	53.5	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-38.8	173.9	176.9	63	-166.4	0	0	111.9	G203 A209 F210 R211 Y238 R242	G203-E207 VanDerWaalsContact O-CB 3.28Å; G203-E207 WeakPolarHBondContact O-CB 3.35Å; G203-E207 PolarHBondContact O-N 3.25Å; E207-A209 VanDerWaalsContact C-N 3.34Å; E207-F210 WeakPolarHBondContact O-CB 3.29Å; E207-F210 PolarHBondContact O-N 2.93Å; E207-R211 WeakPolarHBondContact O-CG 3.21Å; E207-R211 PolarHBondContact O-N 2.93Å; E207-R211 IonicContact OE1-CZ 3.1Å; E207-R211 IonicContact OE1-NE 2.73Å; E207-R211 PolarHBondContact OE1-NE 3.12Å; E207-R211 IonicContact OE1-NH2 2.7Å; E207-R211 PolarHBondContact OE1-NH2 2.89Å; E207-R211 VanDerWaalsContact OE1-NH2 3.16Å; E207-Y238 HydrophobicContact CB-CE1 4.46Å; E207-Y238 PolarHBondContact OE2-OH 2.81Å; E207-R242 IonicContact OE1-CZ 3.25Å; E207-R242 IonicContact OE1-NE 3.27Å; E207-R242 IonicContact OE1-NH2 3.95Å; E207-R242 PolarHBondContact OE1-NH2 2.98Å; E207-R242 IonicContact OE2-CZ 3.98Å; E207-R242 IonicContact OE2-NE 3.09Å; E207-R242 PolarHBondContact OE2-NE 3.43Å; E207-R242 IonicContact OE2-NH2 3Å
208	L	98.2	Very high	97.6	Very high	117 Å²	117	51.7 Å²	51.7	61%	0.613	25%	0.247	S	C	*	.	H	α-helix	trans	-63.7	-41.5	173.5	-177.3	62.1	0	0	0	111.5	S204 R205 I206 F210 R211 R212	S204-L208 WeakPolarHBondContact O-CB 3.33Å; S204-L208 PolarHBondContact O-N 2.81Å; R205-L208 PolarHBondContact O-N 2.87Å; I206-L208 VanDerWaalsContact C-N 3.34Å; I206-L208 PolarHBondContact O-N 3.24Å; L208-F210 VanDerWaalsContact C-N 3.34Å; L208-R211 PolarHBondContact O-N 3.47Å; L208-R212 WeakPolarHBondContact O-CB 3.35Å; L208-R212 PolarHBondContact O-N 2.9Å
209	A	98.5	Very high	97.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-40.9	174.3	0	0	0	0	0	112	A176 I177 R205 I206 E207 R212 H213 F239	A176-A209 HydrophobicContact CB-CB 3.86Å; I177-A209 HydrophobicContact CG2-CB 4.05Å; R205-A209 WeakPolarHBondContact O-CB 3.34Å; R205-A209 PolarHBondContact O-N 2.73Å; I206-A209 WeakPolarHBondContact O-CB 3.31Å; I206-A209 PolarHBondContact O-N 3.24Å; E207-A209 VanDerWaalsContact C-N 3.34Å; A209-R212 PolarHBondContact O-N 2.68Å; A209-H213 WeakPolarHBondContact O-CB 3.34Å; A209-H213 PolarHBondContact O-CD2 2.64Å; A209-H213 VanDerWaalsContact O-CD2 3.3Å; A209-H213 PolarHBondContact O-N 2.72Å; A209-F239 HydrophobicContact CB-CE1 4.36Å; A209-F239 HydrophobicContact CB-CZ 3.88Å
210	F	98.6	Very high	97.1	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-55.4	173.7	173.5	-93.7	0	0	0	110.5	W76 I206 E207 L208 R212 H213 I214 F239 R242 A243	W76-F210 HydrophobicContact CE3-CE1 4.32Å; W76-F210 HydrophobicContact CE3-CZ 4.04Å; W76-F210 HydrophobicContact CZ3-CE1 4.24Å; W76-F210 AromaticContact CZ3-CZ 3.8Å; W76-F210 HydrophobicContact CZ3-CZ 3.8Å; I206-F210 PolarHBondContact O-N 2.99Å; E207-F210 WeakPolarHBondContact O-CB 3.29Å; E207-F210 PolarHBondContact O-N 2.93Å; L208-F210 VanDerWaalsContact C-N 3.34Å; F210-R212 VanDerWaalsContact C-N 3.28Å; F210-R212 PolarHBondContact O-N 3.36Å; F210-H213 PolarHBondContact O-N 3.1Å; F210-I214 HydrophobicContact CD2-CB 3.93Å; F210-I214 HydrophobicContact CD2-CD1 3.74Å; F210-I214 HydrophobicContact CD2-CG1 4.13Å; F210-I214 HydrophobicContact CD2-CG2 4.29Å; F210-I214 HydrophobicContact CE2-CB 3.84Å; F210-I214 HydrophobicContact CE2-CD1 4.02Å; F210-I214 HydrophobicContact CE2-CG1 4.4Å; F210-I214 HydrophobicContact CE2-CG2 3.72Å; F210-I214 HydrophobicContact CG-CB 4.49Å; F210-I214 HydrophobicContact CZ-CB 4.36Å; F210-I214 HydrophobicContact CZ-CG2 4.18Å; F210-I214 WeakPolarHBondContact O-CA 3.44Å; F210-I214 WeakPolarHBondContact O-CB 3.16Å; F210-I214 PolarHBondContact O-N 2.86Å; F210-F239 HydrophobicContact CB-CD1 3.85Å; F210-F239 HydrophobicContact CB-CE1 3.66Å; F210-F239 AromaticContact CD2-CD1 3.91Å; F210-F239 HydrophobicContact CD2-CD1 3.91Å; F210-F239 HydrophobicContact CD2-CG 4.43Å; F210-F239 HydrophobicContact CG-CD1 4.4Å; F210-R242 HydrophobicContact CD1-CB 4.42Å; F210-R242 HydrophobicContact CD2-CB 3.68Å; F210-R242 HydrophobicContact CD2-CG 4.46Å; F210-R242 HydrophobicContact CE1-CB 4.14Å; F210-R242 HydrophobicContact CE2-CB 3.35Å; F210-R242 HydrophobicContact CG-CB 4.23Å; F210-R242 HydrophobicContact CZ-CB 3.61Å; F210-A243 HydrophobicContact CE2-CB 4.03Å
211	R	97.9	Very high	96.9	Very high	164 Å²	164	47.9 Å²	47.9	62%	0.619	25%	0.247	S	C	*	.	H	α-helix	trans	-61	-36.1	-179.1	-66.9	178	-169.8	-179.2	2.2	112.8	E207 L208	E207-R211 WeakPolarHBondContact O-CG 3.21Å; E207-R211 PolarHBondContact O-N 2.93Å; E207-R211 IonicContact OE1-CZ 3.1Å; E207-R211 IonicContact OE1-NE 2.73Å; E207-R211 PolarHBondContact OE1-NE 3.12Å; E207-R211 IonicContact OE1-NH2 2.7Å; E207-R211 PolarHBondContact OE1-NH2 2.89Å; E207-R211 VanDerWaalsContact OE1-NH2 3.16Å; L208-R211 PolarHBondContact O-N 3.47Å
212	R	97.4	Very high	96.7	Very high	140 Å²	140	50.8 Å²	50.8	53%	0.528	26%	0.26	S	S	.	.	H	α-helix	trans	-69.4	-40.4	178.6	-179.8	175.4	176	-176.5	-7.5	112.7	E172 L208 A209 F210 H215	E172-R212 IonicContact OE1-NH2 2.7Å; L208-R212 WeakPolarHBondContact O-CB 3.35Å; L208-R212 PolarHBondContact O-N 2.9Å; A209-R212 PolarHBondContact O-N 2.68Å; F210-R212 VanDerWaalsContact C-N 3.28Å; F210-R212 PolarHBondContact O-N 3.36Å; R212-H215 PolarHBondContact O-CD2 3.5Å; R212-H215 PolarHBondContact O-NE2 3.27Å
213	H	97.7	Very high	96.7	Very high	6 Å²	6	52 Å²	52	3%	0.028	28%	0.276	C	S	.	.	H	α-helix	trans	-107	-26.9	-168	-67.7	-66.6	0	0	0	114.2	R101 A209 F210 F229	R101-H213 PolarHBondContact NH1-O 2.81Å; R101-H213 PolarHBondContact NH2-O 2.55Å; A209-H213 WeakPolarHBondContact O-CB 3.34Å; A209-H213 PolarHBondContact O-CD2 2.64Å; A209-H213 VanDerWaalsContact O-CD2 3.3Å; A209-H213 PolarHBondContact O-N 2.72Å; F210-H213 PolarHBondContact O-N 3.1Å; H213-F229 HydrophobicContact CB-CE1 3.85Å; H213-F229 HydrophobicContact CB-CZ 3.94Å; H213-F229 AromaticContact CG-CE1 3.72Å; H213-F229 AromaticContact ND1-CE1 3.75Å
214	I	98.2	Very high	96.7	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.29	C	S	.	.	S	Bend	trans	-111.9	95	-172.7	-50.2	-164.7	0	0	0	108.8	W76 L103 F105 F210 F239 A243 I266	W76-I214 HydrophobicContact CH2-CG2 4.16Å; W76-I214 HydrophobicContact CZ3-CG2 4.19Å; W76-I214 VanDerWaalsContact CZ3-O 3.29Å; W76-I214 WeakPolarHBondContact CZ3-O 3.09Å; L103-I214 HydrophobicContact CD1-CB 4.38Å; L103-I214 HydrophobicContact CD1-CG1 4.06Å; L103-I214 HydrophobicContact CD1-CG2 4.2Å; F105-I214 HydrophobicContact CE1-CD1 4.37Å; F105-I214 HydrophobicContact CZ-CD1 3.75Å; F105-I214 HydrophobicContact CZ-CG1 4.34Å; F210-I214 HydrophobicContact CD2-CB 3.93Å; F210-I214 HydrophobicContact CD2-CD1 3.74Å; F210-I214 HydrophobicContact CD2-CG1 4.13Å; F210-I214 HydrophobicContact CD2-CG2 4.29Å; F210-I214 HydrophobicContact CE2-CB 3.84Å; F210-I214 HydrophobicContact CE2-CD1 4.02Å; F210-I214 HydrophobicContact CE2-CG1 4.4Å; F210-I214 HydrophobicContact CE2-CG2 3.72Å; F210-I214 HydrophobicContact CG-CB 4.49Å; F210-I214 HydrophobicContact CZ-CB 4.36Å; F210-I214 HydrophobicContact CZ-CG2 4.18Å; F210-I214 WeakPolarHBondContact O-CA 3.44Å; F210-I214 WeakPolarHBondContact O-CB 3.16Å; F210-I214 PolarHBondContact O-N 2.86Å; I214-F239 HydrophobicContact CD1-CB 3.56Å; I214-F239 HydrophobicContact CD1-CD1 4.15Å; I214-F239 HydrophobicContact CD1-CD2 3.59Å; I214-F239 HydrophobicContact CD1-CE2 4.26Å; I214-F239 HydrophobicContact CD1-CG 3.5Å; I214-A243 HydrophobicContact CG2-CB 4.08Å; I214-I266 HydrophobicContact CG2-CD1 3.83Å
215	H	97.9	Very high	96.7	Very high	20 Å²	20	52 Å²	52	9%	0.093	27%	0.268	C	S	.	.	S	Bend	trans	-159.9	166.2	-179.6	59.8	82	0	0	0	109.9	D77 R79 R101 R212 I266	D77-H215 HydrophobicContact CB-CB 3.92Å; R79-H215 PolarHBondContact NE-ND1 3.34Å; R79-H215 PolarHBondContact NH2-CE1 3.32Å; R101-H215 WeakPolarHBondContact CD-O 3.36Å; R101-H215 PolarHBondContact NH1-CE1 2.9Å; R101-H215 VanDerWaalsContact NH1-CE1 3.33Å; R101-H215 PolarHBondContact NH1-ND1 3.02Å; R101-H215 PolarHBondContact NH1-NE2 3.48Å; R101-H215 PolarHBondContact NH1-O 3.32Å; R212-H215 PolarHBondContact O-CD2 3.5Å; R212-H215 PolarHBondContact O-NE2 3.27Å; H215-I266 WeakPolarHBondContact O-CD1 3.35Å
216	R	97.4	Very high	96.7	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-56.1	156.5	170.6	-82.1	172.3	-98.5	-157.8	-7.3	112.8	W74 D77 P97 I266 P268 D269 G270	W74-R216 PolarHBondContact O-NH2 2.99Å; D77-R216 IonicContact OD1-CZ 2.99Å; D77-R216 VanDerWaalsContact OD1-CZ 3.27Å; D77-R216 IonicContact OD1-NE 3.08Å; D77-R216 PolarHBondContact OD1-NE 3.4Å; D77-R216 VanDerWaalsContact OD1-NE 3.09Å; D77-R216 IonicContact OD1-NH2 3.6Å; D77-R216 PolarHBondContact OD1-NH2 3.43Å; D77-R216 VanDerWaalsContact OD2-CB 3.29Å; D77-R216 WeakPolarHBondContact OD2-CB 3.27Å; D77-R216 WeakPolarHBondContact OD2-CG 3.01Å; D77-R216 IonicContact OD2-CZ 3.46Å; D77-R216 PolarHBondContact OD2-N 2.67Å; D77-R216 IonicContact OD2-NE 2.96Å; D77-R216 PolarHBondContact OD2-NE 3.13Å; P97-R216 HydrophobicContact CG-CB 4.46Å; R216-I266 HydrophobicContact CG-CG2 4.05Å; R216-P268 WeakPolarHBondContact CD-O 3.16Å; R216-D269 PolarHBondContact NH1-O 2.96Å; R216-G270 VanDerWaalsContact CD-CA 3.47Å
217	A	96.7	Very high	96.6	Very high	1 Å²	1	51 Å²	51	1%	0.008	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-52.7	148.8	171.5	0	0	0	0	0	112	P97 C99 R101 Q221	P97-A217 HydrophobicContact CB-CB 4.47Å; P97-A217 WeakPolarHBondContact CB-O 3.19Å; P97-A217 WeakPolarHBondContact CG-O 3.29Å; C99-A217 HydrophobicContact CB-CB 4.01Å; C99-A217 WeakPolarHBondContact O-CB 3.47Å; R101-A217 HydrophobicContact CG-CB 4.13Å; A217-Q221 HydrophobicContact CB-CB 4.21Å; A217-Q221 HydrophobicContact CB-CG 4.44Å
218	D	93.3	Very high	96.7	Very high	85 Å²	85	50 Å²	50	46%	0.455	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-64.3	150.4	169.6	-66.8	-39.5	0	0	0	109.8	R79 G220 Q221	R79-D218 IonicContact CZ-OD1 3.57Å; R79-D218 IonicContact NH1-OD1 2.72Å; R79-D218 PolarHBondContact NH1-OD1 3.01Å; R79-D218 IonicContact NH2-OD1 3.63Å; D218-G220 PolarHBondContact O-N 3.05Å; D218-Q221 VanDerWaalsContact O-CB 3.22Å; D218-Q221 WeakPolarHBondContact O-CB 3.25Å; D218-Q221 PolarHBondContact O-N 3.23Å
219	V	90.5	Very high	96.7	Very high	61 Å²	61	44.5 Å²	44.5	37%	0.37	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.4	-175.9	175.9	0	0	0	0	112.4	V95 P97 Q221	V95-V219 HydrophobicContact CB-CG1 3.52Å; V95-V219 HydrophobicContact CG1-CG1 3.12Å; P97-V219 HydrophobicContact CG-CG2 4.36Å; V219-Q221 VanDerWaalsContact C-N 3.35Å
220	G	91.2	Very high	96.7	Very high	61 Å²	61	44.4 Å²	44.4	63%	0.629	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	10	176.2	0	0	0	0	0	114.9	D218	D218-G220 PolarHBondContact O-N 3.05Å
221	Q	94.2	Very high	96.7	Very high	35 Å²	35	44.3 Å²	44.3	16%	0.164	23%	0.23	C	C	.	.			trans	-75.4	126.5	174.3	-174.4	177.4	-44	0	0	109.6	C99 A217 D218 V219 A223 T225	C99-Q221 HydrophobicContact CB-CB 4.5Å; C99-Q221 HydrophobicContact CB-CG 4.04Å; C99-Q221 PolarHBondContact SG-O 2.92Å; A217-Q221 HydrophobicContact CB-CB 4.21Å; A217-Q221 HydrophobicContact CB-CG 4.44Å; D218-Q221 VanDerWaalsContact O-CB 3.22Å; D218-Q221 WeakPolarHBondContact O-CB 3.25Å; D218-Q221 PolarHBondContact O-N 3.23Å; V219-Q221 VanDerWaalsContact C-N 3.35Å; Q221-A223 WeakPolarHBondContact CG-O 3.28Å; Q221-A223 PolarHBondContact NE2-O 2.83Å; Q221-T225 VanDerWaalsContact NE2-CG2 3.31Å
222	E	93.8	Very high	96.7	Very high	168 Å²	168	36.5 Å²	36.5	79%	0.785	20%	0.2	S	C	*	.			trans	-99.2	-13.2	-173.2	-62.7	-59.4	148	0	0	114.5
223	A	96.7	Very high	96.8	Very high	62 Å²	62	30 Å²	30	51%	0.512	18%	0.176	S	C	.	.	S	Bend	trans	-141.1	153.6	-179.1	0	0	0	0	0	112.4	C99 Q221	C99-A223 WeakPolarHBondContact CB-O 3.43Å; C99-A223 PolarHBondContact SG-N 3.23Å; Q221-A223 WeakPolarHBondContact CG-O 3.28Å; Q221-A223 PolarHBondContact NE2-O 2.83Å
224	D	98	Very high	96.8	Very high	72 Å²	72	30.4 Å²	30.4	39%	0.385	18%	0.179	S	C	.	.			trans	-59.9	141.4	170.6	-72.1	-1.3	0	0	0	110.7	C99 T100	C99-D224 WeakPolarHBondContact CA-OD1 3.29Å; T100-D224 PolarHBondContact N-OD1 2.52Å; T100-D224 VanDerWaalsContact O-CA 3.25Å; T100-D224 WeakPolarHBondContact O-CA 3.45Å; T100-D224 WeakPolarHBondContact O-CB 3.43Å
225	T	98	Very high	96.8	Very high	14 Å²	14	30.4 Å²	30.4	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.9	-177.8	57.2	0	0	0	0	112.1	T100 H102 Q221 E227	T100-T225 PolarHBondContact O-N 3.29Å; T100-T225 VanDerWaalsContact O-N 3.09Å; H102-T225 WeakPolarHBondContact CA-O 3.17Å; H102-T225 WeakPolarHBondContact CB-O 3.47Å; H102-T225 PolarHBondContact N-O 2.94Å; Q221-T225 VanDerWaalsContact NE2-CG2 3.31Å; T225-E227 PolarHBondContact OG1-OE1 3.19Å
226	Y	98.5	Very high	96.9	Very high	35 Å²	35	29.5 Å²	29.5	14%	0.137	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.9	171.5	-67.1	-105.5	0	0	0	108.1	H102 L104 F142 P143 Y144 R145 W263	H102-Y226 HydrophobicContact CB-CD1 3.55Å; H102-Y226 HydrophobicContact CB-CE1 3.81Å; H102-Y226 HydrophobicContact CB-CG 3.96Å; H102-Y226 AromaticContact CD2-CE1 3.91Å; H102-Y226 AromaticContact CD2-CE2 3.93Å; H102-Y226 AromaticContact CD2-CZ 3.65Å; H102-Y226 AromaticContact CG-CD1 3.9Å; H102-Y226 AromaticContact CG-CE1 3.6Å; H102-Y226 AromaticContact CG-CZ 3.86Å; H102-Y226 AromaticContact ND1-CE1 3.89Å; H102-Y226 AromaticContact NE2-CZ 3.93Å; H102-Y226 CarbonylContact O-C 3.57Å; H102-Y226 WeakPolarHBondContact O-CA 3.39Å; L104-Y226 HydrophobicContact CD1-CD1 4.23Å; F142-Y226 HydrophobicContact CB-CD1 3.48Å; F142-Y226 VanDerWaalsContact CB-CD1 3.48Å; F142-Y226 HydrophobicContact CB-CD2 4.23Å; F142-Y226 HydrophobicContact CB-CE1 3.79Å; F142-Y226 HydrophobicContact CB-CG 3.73Å; F142-Y226 HydrophobicContact CD1-CD1 4.07Å; F142-Y226 AromaticContact CD1-CE1 3.44Å; F142-Y226 HydrophobicContact CD1-CE1 3.44Å; F142-Y226 VanDerWaalsContact CD1-CE1 3.44Å; F142-Y226 AromaticContact CD1-CZ 3.73Å; F142-Y226 AromaticContact CD2-CD1 3.72Å; F142-Y226 HydrophobicContact CD2-CD1 3.72Å; F142-Y226 AromaticContact CD2-CE1 3.7Å; F142-Y226 HydrophobicContact CD2-CE1 3.7Å; F142-Y226 AromaticContact CE1-CE1 3.9Å; F142-Y226 HydrophobicContact CE1-CE1 3.9Å; F142-Y226 HydrophobicContact CE2-CD1 4.47Å; F142-Y226 HydrophobicContact CE2-CE1 4.11Å; F142-Y226 AromaticContact CG-CD1 3.49Å; F142-Y226 HydrophobicContact CG-CD1 3.49Å; F142-Y226 VanDerWaalsContact CG-CD1 3.49Å; F142-Y226 AromaticContact CG-CE1 3.36Å; F142-Y226 HydrophobicContact CG-CE1 3.36Å; F142-Y226 HydrophobicContact CG-CG 4.24Å; F142-Y226 HydrophobicContact CZ-CE1 4.22Å; P143-Y226 HydrophobicContact CG-CD2 3.83Å; P143-Y226 HydrophobicContact CG-CE2 4.11Å; Y144-Y226 CarbonylContact C-O 3.58Å; Y144-Y226 WeakPolarHBondContact CA-O 3.46Å; R145-Y226 PolarHBondContact N-O 3.43Å; Y226-W263 HydrophobicContact CE1-CZ2 4Å
227	E	98.5	Very high	96.9	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.9	-175.6	-64.3	169.9	-124.3	0	0	108.8	R101 H102 L103 L104 T225 F229	R101-E227 IonicContact CZ-OE1 2.59Å; R101-E227 IonicContact NE-OE1 3.6Å; R101-E227 PolarHBondContact NE-OE1 3.06Å; R101-E227 VanDerWaalsContact NH2-CD 3.34Å; R101-E227 IonicContact NH2-OE1 3.56Å; R101-E227 PolarHBondContact NH2-OE1 3.3Å; R101-E227 VanDerWaalsContact NH2-OE1 3.08Å; R101-E227 IonicContact NH2-OE2 3.73Å; R101-E227 PolarHBondContact NH2-OE2 2.86Å; H102-E227 PolarHBondContact O-N 3Å; L103-E227 HydrophobicContact CD2-CB 4.02Å; L104-E227 PolarHBondContact N-O 3.16Å; T225-E227 PolarHBondContact OG1-OE1 3.19Å; E227-F229 HydrophobicContact CB-CE2 3.87Å
228	V	98.8	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.4	-177.9	-177.4	0	0	0	0	109.4	L104 I106 L137 Y144 K146 L147 Y148	L104-V228 HydrophobicContact CB-CG2 4.47Å; L104-V228 CarbonylContact O-C 3.59Å; L104-V228 VanDerWaalsContact O-CA 3.3Å; L104-V228 WeakPolarHBondContact O-CA 3.34Å; I106-V228 HydrophobicContact CD1-CG1 3.51Å; I106-V228 HydrophobicContact CG1-CG1 4.31Å; L137-V228 HydrophobicContact CD1-CG1 4.49Å; Y144-V228 HydrophobicContact CD1-CG2 3.6Å; Y144-V228 HydrophobicContact CE1-CG2 4.07Å; Y144-V228 HydrophobicContact CG-CG2 4.33Å; K146-V228 PolarHBondContact O-N 3.11Å; L147-V228 CarbonylContact C-O 3.52Å; L147-V228 VanDerWaalsContact CA-O 3.28Å; L147-V228 WeakPolarHBondContact CA-O 3.03Å; L147-V228 HydrophobicContact CB-CB 4.29Å; L147-V228 HydrophobicContact CD1-CB 4.18Å; L147-V228 HydrophobicContact CD1-CG1 3.84Å; L147-V228 HydrophobicContact CG-CB 4.07Å; L147-V228 HydrophobicContact CG-CG1 4.04Å; Y148-V228 PolarHBondContact N-O 3.28Å
229	F	98.9	Very high	97.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119.4	177.7	-67.2	-98.3	0	0	0	109.4	L103 L104 F105 I106 Y148 I177 H213 E227	L103-F229 HydrophobicContact CB-CE2 4.47Å; L103-F229 HydrophobicContact CD2-CE2 4.15Å; L104-F229 PolarHBondContact O-N 3.13Å; F105-F229 CarbonylContact C-O 3.5Å; F105-F229 WeakPolarHBondContact CA-O 3.37Å; F105-F229 HydrophobicContact CD1-CB 3.51Å; F105-F229 HydrophobicContact CD1-CD2 4.11Å; F105-F229 AromaticContact CD1-CG 3.87Å; F105-F229 HydrophobicContact CD1-CG 3.87Å; F105-F229 HydrophobicContact CE1-CB 3.93Å; F105-F229 HydrophobicContact CE1-CD1 4.28Å; F105-F229 AromaticContact CE1-CD2 3.79Å; F105-F229 HydrophobicContact CE1-CD2 3.79Å; F105-F229 HydrophobicContact CE1-CE2 4.4Å; F105-F229 AromaticContact CE1-CG 3.73Å; F105-F229 HydrophobicContact CE1-CG 3.73Å; F105-F229 HydrophobicContact CG-CB 4.32Å; F105-F229 HydrophobicContact CZ-CD2 4.25Å; I106-F229 PolarHBondContact N-O 3.34Å; Y148-F229 HydrophobicContact CD2-CD1 4.01Å; Y148-F229 AromaticContact CD2-CE1 3.44Å; Y148-F229 HydrophobicContact CD2-CE1 3.44Å; Y148-F229 VanDerWaalsContact CD2-CE1 3.44Å; Y148-F229 HydrophobicContact CD2-CE2 4.23Å; Y148-F229 AromaticContact CD2-CZ 3.56Å; Y148-F229 HydrophobicContact CD2-CZ 3.56Å; Y148-F229 HydrophobicContact CE2-CE1 4.18Å; Y148-F229 AromaticContact CE2-CZ 3.96Å; Y148-F229 HydrophobicContact CE2-CZ 3.96Å; Y148-F229 HydrophobicContact CG-CD1 4.21Å; Y148-F229 AromaticContact CG-CE1 3.86Å; Y148-F229 HydrophobicContact CG-CE1 3.86Å; Y148-F229 HydrophobicContact CG-CZ 4.43Å; Y148-F229 CarbonylContact O-C 3.48Å; Y148-F229 VanDerWaalsContact O-CA 3.25Å; Y148-F229 WeakPolarHBondContact O-CA 3.14Å; I177-F229 HydrophobicContact CD1-CD1 4.41Å; H213-F229 HydrophobicContact CB-CE1 3.85Å; H213-F229 HydrophobicContact CB-CZ 3.94Å; H213-F229 AromaticContact CG-CE1 3.72Å; H213-F229 AromaticContact ND1-CE1 3.75Å; E227-F229 HydrophobicContact CB-CE2 3.87Å
230	V	98.9	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.1	174.3	-176.9	0	0	0	0	108.9	I106 L147 Y148 Y149 S150 A159	I106-V230 HydrophobicContact CB-CG2 4.22Å; I106-V230 HydrophobicContact CD1-CG2 4.21Å; I106-V230 WeakPolarHBondContact O-CA 3.34Å; L147-V230 HydrophobicContact CD1-CG2 4.14Å; L147-V230 HydrophobicContact CD2-CG2 4.11Å; L147-V230 HydrophobicContact CG-CG2 4.32Å; Y148-V230 PolarHBondContact O-N 3.24Å; Y149-V230 CarbonylContact C-O 3.52Å; Y149-V230 VanDerWaalsContact CA-O 3.29Å; Y149-V230 WeakPolarHBondContact CA-O 3.39Å; S150-V230 PolarHBondContact N-O 3.45Å; A159-V230 HydrophobicContact CB-CB 4.21Å; A159-V230 HydrophobicContact CB-CG1 4.34Å; A159-V230 HydrophobicContact CB-CG2 4.25Å
231	C	98.8	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-136.4	-175	59	0	0	0	0	111.1	I106 H108 I177 I236	I106-C231 PolarHBondContact O-N 3.38Å; H108-C231 PolarHBondContact CD2-O 3.22Å; H108-C231 PolarHBondContact N-O 2.88Å; I177-C231 HydrophobicContact CB-CB 4.22Å; I177-C231 HydrophobicContact CD1-CB 4.16Å; I177-C231 HydrophobicContact CG1-CB 4.29Å; C231-I236 VanDerWaalsContact SG-CG1 3.57Å
232	H	98.6	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.			trans	-134.2	164.4	-160.5	-47.5	-89.8	0	0	0	112.4	H108 S150 M152 R154 I177 E179 I236	H108-H232 AromaticContact CD2-ND1 3.24Å; H108-H232 PolarHBondContact CD2-ND1 2.81Å; H108-H232 AromaticContact NE2-ND1 3.85Å; S150-H232 WeakPolarHBondContact CB-NE2 3.42Å; S150-H232 PolarHBondContact OG-NE2 2.95Å; M152-H232 VanDerWaalsContact SD-CE1 3.51Å; R154-H232 PolarHBondContact NE-ND1 2.79Å; R154-H232 PolarHBondContact NH2-CE1 3.27Å; R154-H232 VanDerWaalsContact NH2-CE1 3.28Å; R154-H232 PolarHBondContact NH2-ND1 3.48Å; R154-H232 VanDerWaalsContact NH2-ND1 3.13Å; I177-H232 PolarHBondContact O-CD2 2.74Å; I177-H232 VanDerWaalsContact O-CD2 3.25Å; E179-H232 HydrophobicContact CB-CB 3.68Å; E179-H232 HydrophobicContact CG-CB 3.84Å; E179-H232 PolarHBondContact N-CD2 2.79Å; E179-H232 WeakPolarHBondContact OE1-CB 3.48Å; E179-H232 WeakPolarHBondContact OE2-CB 3.26Å; H232-I236 WeakPolarHBondContact O-CD1 3.38Å; H232-I236 WeakPolarHBondContact O-CG1 3.26Å; H232-I236 PolarHBondContact O-N 3.46Å; H232-I236 VanDerWaalsContact O-N 3.1Å
233	A	98.4	Very high	98.4	Very high	3 Å²	3	14.9 Å²	14.9	3%	0.025	8%	0.079	C	C	.	.	H	α-helix	trans	-65.5	-47.1	-168.6	0	0	0	0	0	111.7	E179 V235 I236 R237	E179-A233 PolarHBondContact OE2-N 3.12Å; A233-V235 PolarHBondContact O-N 3.08Å; A233-I236 PolarHBondContact O-N 2.86Å; A233-R237 WeakPolarHBondContact O-CB 3.29Å; A233-R237 WeakPolarHBondContact O-CD 3.24Å; A233-R237 WeakPolarHBondContact O-CG 3.3Å; A233-R237 PolarHBondContact O-N 3.02Å
234	N	98.1	Very high	98.5	Very high	16 Å²	16	13.1 Å²	13.1	9%	0.086	6%	0.061	C	C	.	.	H	α-helix	trans	-69.2	-39.2	-173.9	-51.7	-16.3	0	0	0	111.2	E179 G180 P182 Y192 R237 Y238 W251	E179-N234 WeakPolarHBondContact OE1-CB 3.45Å; E179-N234 PolarHBondContact OE1-N 3.18Å; E179-N234 PolarHBondContact OE2-N 3.34Å; G180-N234 WeakPolarHBondContact O-CB 3.19Å; G180-N234 PolarHBondContact O-ND2 3.02Å; P182-N234 HydrophobicContact CG-CB 4.25Å; Y192-N234 PolarHBondContact OH-ND2 2.82Å; N234-R237 PolarHBondContact O-N 2.63Å; N234-R237 PolarHBondContact OD1-NH1 2.99Å; N234-R237 VanDerWaalsContact OD1-NH1 3.13Å; N234-Y238 WeakPolarHBondContact O-CB 3.33Å; N234-Y238 PolarHBondContact O-N 3.28Å; N234-W251 HydrophobicContact CB-CE3 4.11Å; N234-W251 HydrophobicContact CB-CH2 4.19Å; N234-W251 HydrophobicContact CB-CZ3 3.59Å; N234-W251 VanDerWaalsContact OD1-CZ3 3.26Å; N234-W251 WeakPolarHBondContact OD1-CZ3 3.46Å
235	V	98.6	Very high	98.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56	-52.2	172.5	-178.5	0	0	0	0	111.2	I177 R178 E179 I206 A233 R237 Y238 F239	I177-V235 HydrophobicContact CB-CG1 4.43Å; R178-V235 VanDerWaalsContact O-CG2 3.31Å; R178-V235 WeakPolarHBondContact O-CG2 3.48Å; E179-V235 PolarHBondContact OE1-N 3.26Å; I206-V235 HydrophobicContact CD1-CG2 4Å; I206-V235 HydrophobicContact CG1-CG2 4.22Å; A233-V235 PolarHBondContact O-N 3.08Å; V235-R237 PolarHBondContact O-N 3.45Å; V235-Y238 PolarHBondContact O-N 3.06Å; V235-F239 HydrophobicContact CG1-CD1 4.47Å; V235-F239 HydrophobicContact CG1-CD2 4Å; V235-F239 HydrophobicContact CG1-CE1 4.03Å; V235-F239 HydrophobicContact CG1-CE2 3.55Å; V235-F239 HydrophobicContact CG1-CG 4.46Å; V235-F239 HydrophobicContact CG1-CZ 3.56Å; V235-F239 WeakPolarHBondContact O-CB 3.48Å; V235-F239 VanDerWaalsContact O-CG 3.26Å; V235-F239 WeakPolarHBondContact O-CG 3.44Å; V235-F239 PolarHBondContact O-N 2.83Å
236	I	98.7	Very high	98.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-44.8	-177.9	-64.2	169.5	0	0	0	110.9	F105 R107 C231 H232 A233 Y238 F239 V240 L256 T262	F105-I236 HydrophobicContact CB-CD1 3.87Å; F105-I236 HydrophobicContact CB-CG1 3.83Å; F105-I236 HydrophobicContact CB-CG2 4.07Å; F105-I236 HydrophobicContact CD1-CG1 4.45Å; F105-I236 HydrophobicContact CG-CG1 4.41Å; R107-I236 HydrophobicContact CB-CD1 4.3Å; C231-I236 VanDerWaalsContact SG-CG1 3.57Å; H232-I236 WeakPolarHBondContact O-CD1 3.38Å; H232-I236 WeakPolarHBondContact O-CG1 3.26Å; H232-I236 PolarHBondContact O-N 3.46Å; H232-I236 VanDerWaalsContact O-N 3.1Å; A233-I236 PolarHBondContact O-N 2.86Å; I236-Y238 PolarHBondContact O-N 3.01Å; I236-F239 PolarHBondContact O-N 3.32Å; I236-V240 HydrophobicContact CG2-CG2 4.43Å; I236-V240 WeakPolarHBondContact O-CG2 3.46Å; I236-V240 PolarHBondContact O-N 2.85Å; I236-L256 HydrophobicContact CB-CD1 3.77Å; I236-L256 HydrophobicContact CD1-CD1 4.47Å; I236-L256 HydrophobicContact CG2-CD1 3.62Å; I236-T262 HydrophobicContact CG2-CG2 4Å
237	R	98.6	Very high	98.3	Very high	29 Å²	29	18.4 Å²	18.4	11%	0.109	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-45.6	179.2	-68.2	165.6	-179.5	161.5	-5.3	111.7	A233 N234 V235 V240 C241 W251 F254 L256	A233-R237 WeakPolarHBondContact O-CB 3.29Å; A233-R237 WeakPolarHBondContact O-CD 3.24Å; A233-R237 WeakPolarHBondContact O-CG 3.3Å; A233-R237 PolarHBondContact O-N 3.02Å; N234-R237 PolarHBondContact O-N 2.63Å; N234-R237 PolarHBondContact OD1-NH1 2.99Å; N234-R237 VanDerWaalsContact OD1-NH1 3.13Å; V235-R237 PolarHBondContact O-N 3.45Å; R237-V240 PolarHBondContact O-N 3.44Å; R237-C241 PolarHBondContact O-N 2.75Å; R237-W251 HydrophobicContact CB-CB 4.08Å; R237-W251 HydrophobicContact CB-CE3 4.39Å; R237-W251 WeakPolarHBondContact CB-O 3.4Å; R237-W251 VanDerWaalsContact CD-O 3.28Å; R237-W251 WeakPolarHBondContact CD-O 3.44Å; R237-F254 HydrophobicContact CB-CD2 4.35Å; R237-F254 HydrophobicContact CG-CB 4.01Å; R237-F254 HydrophobicContact CG-CD2 4.49Å; R237-F254 PolarHBondContact NE-O 3.08Å; R237-F254 PolarHBondContact NH2-O 2.92Å; R237-L256 HydrophobicContact CG-CD1 3.87Å; R237-L256 HydrophobicContact CG-CG 4.33Å
238	Y	98.6	Very high	98.1	Very high	13 Å²	13	19.6 Å²	19.6	5%	0.051	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-44.9	176.8	-179.4	-97.8	0	0	0	111.5	P182 Y183 I206 E207 N234 V235 I236 V240 C241 R242 P248	P182-Y238 HydrophobicContact CB-CD1 4.25Å; P182-Y238 HydrophobicContact CB-CD2 3.6Å; P182-Y238 HydrophobicContact CB-CE2 4.28Å; P182-Y238 HydrophobicContact CB-CG 3.56Å; P182-Y238 HydrophobicContact CG-CD2 4.14Å; P182-Y238 HydrophobicContact CG-CG 4.17Å; Y183-Y238 HydrophobicContact CD2-CE2 4.47Å; I206-Y238 HydrophobicContact CG2-CD1 3.45Å; I206-Y238 VanDerWaalsContact CG2-CD1 3.45Å; I206-Y238 HydrophobicContact CG2-CE1 4Å; I206-Y238 HydrophobicContact CG2-CG 4.13Å; E207-Y238 HydrophobicContact CB-CE1 4.46Å; E207-Y238 PolarHBondContact OE2-OH 2.81Å; N234-Y238 WeakPolarHBondContact O-CB 3.33Å; N234-Y238 PolarHBondContact O-N 3.28Å; V235-Y238 PolarHBondContact O-N 3.06Å; I236-Y238 PolarHBondContact O-N 3.01Å; Y238-V240 VanDerWaalsContact C-N 3.3Å; Y238-V240 PolarHBondContact O-N 3.09Å; Y238-C241 PolarHBondContact O-N 2.88Å; Y238-R242 HydrophobicContact CD1-CG 3.88Å; Y238-R242 HydrophobicContact CD2-CG 4.29Å; Y238-R242 HydrophobicContact CE1-CG 3.45Å; Y238-R242 VanDerWaalsContact CE1-CG 3.45Å; Y238-R242 HydrophobicContact CE2-CG 3.91Å; Y238-R242 HydrophobicContact CG-CG 4.3Å; Y238-R242 VanDerWaalsContact CZ-CG 3.46Å; Y238-R242 WeakPolarHBondContact O-CB 3.42Å; Y238-R242 WeakPolarHBondContact O-CG 3.34Å; Y238-R242 PolarHBondContact O-N 3.29Å; Y238-R242 WeakPolarHBondContact OH-CD 3.23Å; Y238-P248 HydrophobicContact CE2-CB 4.1Å
239	F	98.7	Very high	98	Very high	1 Å²	1	22 Å²	22	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-57.2	-42.2	174.6	-74.6	-2.7	0	0	0	112.4	F105 I177 I206 A209 F210 I214 V235 I236 A243	F105-F239 HydrophobicContact CD1-CD2 4.18Å; F105-F239 AromaticContact CE1-CD2 3.59Å; F105-F239 HydrophobicContact CE1-CD2 3.59Å; F105-F239 HydrophobicContact CE1-CE2 4.04Å; F105-F239 HydrophobicContact CZ-CD2 4.14Å; I177-F239 HydrophobicContact CG2-CE2 4.38Å; I177-F239 HydrophobicContact CG2-CZ 4.28Å; I206-F239 HydrophobicContact CG2-CD1 4.32Å; I206-F239 HydrophobicContact CG2-CE1 3.81Å; I206-F239 WeakPolarHBondContact O-CE1 3.44Å; A209-F239 HydrophobicContact CB-CE1 4.36Å; A209-F239 HydrophobicContact CB-CZ 3.88Å; F210-F239 HydrophobicContact CB-CD1 3.85Å; F210-F239 HydrophobicContact CB-CE1 3.66Å; F210-F239 AromaticContact CD2-CD1 3.91Å; F210-F239 HydrophobicContact CD2-CD1 3.91Å; F210-F239 HydrophobicContact CD2-CG 4.43Å; F210-F239 HydrophobicContact CG-CD1 4.4Å; I214-F239 HydrophobicContact CD1-CB 3.56Å; I214-F239 HydrophobicContact CD1-CD1 4.15Å; I214-F239 HydrophobicContact CD1-CD2 3.59Å; I214-F239 HydrophobicContact CD1-CE2 4.26Å; I214-F239 HydrophobicContact CD1-CG 3.5Å; V235-F239 HydrophobicContact CG1-CD1 4.47Å; V235-F239 HydrophobicContact CG1-CD2 4Å; V235-F239 HydrophobicContact CG1-CE1 4.03Å; V235-F239 HydrophobicContact CG1-CE2 3.55Å; V235-F239 HydrophobicContact CG1-CG 4.46Å; V235-F239 HydrophobicContact CG1-CZ 3.56Å; V235-F239 WeakPolarHBondContact O-CB 3.48Å; V235-F239 VanDerWaalsContact O-CG 3.26Å; V235-F239 WeakPolarHBondContact O-CG 3.44Å; V235-F239 PolarHBondContact O-N 2.83Å; I236-F239 PolarHBondContact O-N 3.32Å; F239-A243 WeakPolarHBondContact O-CB 3.28Å; F239-A243 PolarHBondContact O-N 3.22Å
240	V	98.7	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.1	-47.4	176.2	170.6	0	0	0	0	111.2	I236 R237 Y238 R242 L244 T262 L274 L277	I236-V240 HydrophobicContact CG2-CG2 4.43Å; I236-V240 WeakPolarHBondContact O-CG2 3.46Å; I236-V240 PolarHBondContact O-N 2.85Å; R237-V240 PolarHBondContact O-N 3.44Å; Y238-V240 VanDerWaalsContact C-N 3.3Å; Y238-V240 PolarHBondContact O-N 3.09Å; V240-R242 PolarHBondContact O-N 3.04Å; V240-L244 HydrophobicContact CG1-CD1 3.78Å; V240-L244 WeakPolarHBondContact O-CB 3.39Å; V240-L244 WeakPolarHBondContact O-CG 3.19Å; V240-L244 PolarHBondContact O-N 2.94Å; V240-T262 HydrophobicContact CG2-CG2 3.72Å; V240-L274 HydrophobicContact CG1-CD1 4.36Å; V240-L274 HydrophobicContact CG1-CD2 3.94Å; V240-L274 HydrophobicContact CG2-CD1 4.19Å; V240-L277 HydrophobicContact CG1-CD1 4.24Å; V240-L277 HydrophobicContact CG2-CD1 3.99Å
241	C	98.4	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-54.8	-53.8	175	-87.2	0	0	0	0	111.4	R237 Y238 L244 Q245 F246	R237-C241 PolarHBondContact O-N 2.75Å; Y238-C241 PolarHBondContact O-N 2.88Å; C241-L244 PolarHBondContact O-N 3.03Å; C241-Q245 PolarHBondContact O-N 2.8Å; C241-F246 PolarHBondContact O-N 3.41Å
242	R	98.1	Very high	97.7	Very high	63 Å²	63	23.9 Å²	23.9	24%	0.238	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-45.3	-176.9	-69.7	-70.2	-68.7	112.3	0.9	112.2	E207 F210 Y238 V240 L244 Q245	E207-R242 IonicContact OE1-CZ 3.25Å; E207-R242 IonicContact OE1-NE 3.27Å; E207-R242 IonicContact OE1-NH2 3.95Å; E207-R242 PolarHBondContact OE1-NH2 2.98Å; E207-R242 IonicContact OE2-CZ 3.98Å; E207-R242 IonicContact OE2-NE 3.09Å; E207-R242 PolarHBondContact OE2-NE 3.43Å; E207-R242 IonicContact OE2-NH2 3Å; F210-R242 HydrophobicContact CD1-CB 4.42Å; F210-R242 HydrophobicContact CD2-CB 3.68Å; F210-R242 HydrophobicContact CD2-CG 4.46Å; F210-R242 HydrophobicContact CE1-CB 4.14Å; F210-R242 HydrophobicContact CE2-CB 3.35Å; F210-R242 HydrophobicContact CG-CB 4.23Å; F210-R242 HydrophobicContact CZ-CB 3.61Å; Y238-R242 HydrophobicContact CD1-CG 3.88Å; Y238-R242 HydrophobicContact CD2-CG 4.29Å; Y238-R242 HydrophobicContact CE1-CG 3.45Å; Y238-R242 VanDerWaalsContact CE1-CG 3.45Å; Y238-R242 HydrophobicContact CE2-CG 3.91Å; Y238-R242 HydrophobicContact CG-CG 4.3Å; Y238-R242 VanDerWaalsContact CZ-CG 3.46Å; Y238-R242 WeakPolarHBondContact O-CB 3.42Å; Y238-R242 WeakPolarHBondContact O-CG 3.34Å; Y238-R242 PolarHBondContact O-N 3.29Å; Y238-R242 WeakPolarHBondContact OH-CD 3.23Å; V240-R242 PolarHBondContact O-N 3.04Å; R242-L244 VanDerWaalsContact C-N 3.29Å; R242-L244 PolarHBondContact O-N 3.16Å; R242-Q245 PolarHBondContact O-N 2.77Å
243	A	98.5	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.3	-29.6	-178.2	0	0	0	0	0	112.7	W72 F210 I214 F239 L264 V272	W72-A243 WeakPolarHBondContact CH2-O 3.43Å; F210-A243 HydrophobicContact CE2-CB 4.03Å; I214-A243 HydrophobicContact CG2-CB 4.08Å; F239-A243 WeakPolarHBondContact O-CB 3.28Å; F239-A243 PolarHBondContact O-N 3.22Å; A243-L264 HydrophobicContact CB-CD1 3.73Å; A243-L264 HydrophobicContact CB-CD2 4.42Å; A243-V272 HydrophobicContact CB-CG1 4.11Å; A243-V272 WeakPolarHBondContact O-CB 3.24Å; A243-V272 WeakPolarHBondContact O-CG2 3.37Å
244	L	98.3	Very high	97.5	Very high	25 Å²	25	32.6 Å²	32.6	13%	0.131	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	3.9	177.5	-61	175.7	0	0	0	113.4	V240 C241 R242 F246 L264 V272 L274	V240-L244 HydrophobicContact CG1-CD1 3.78Å; V240-L244 WeakPolarHBondContact O-CB 3.39Å; V240-L244 WeakPolarHBondContact O-CG 3.19Å; V240-L244 PolarHBondContact O-N 2.94Å; C241-L244 PolarHBondContact O-N 3.03Å; R242-L244 VanDerWaalsContact C-N 3.29Å; R242-L244 PolarHBondContact O-N 3.16Å; L244-F246 HydrophobicContact CB-CD1 4.45Å; L244-F246 HydrophobicContact CB-CD2 3.94Å; L244-F246 HydrophobicContact CB-CE1 4.42Å; L244-F246 HydrophobicContact CB-CE2 3.92Å; L244-F246 HydrophobicContact CB-CG 4.22Å; L244-F246 HydrophobicContact CB-CZ 4.17Å; L244-F246 HydrophobicContact CD1-CD2 4.1Å; L244-F246 HydrophobicContact CD1-CE2 3.55Å; L244-F246 HydrophobicContact CD1-CZ 4.14Å; L244-F246 HydrophobicContact CG-CE2 4.42Å; L244-F246 PolarHBondContact O-N 3.36Å; L244-L264 HydrophobicContact CD2-CD2 4.39Å; L244-V272 HydrophobicContact CD2-CB 4.34Å; L244-V272 HydrophobicContact CD2-CG1 3.93Å; L244-L274 HydrophobicContact CD1-CB 3.87Å; L244-L274 HydrophobicContact CD1-CD2 3.9Å; L244-L274 HydrophobicContact CD1-CG 4.45Å; L244-L274 HydrophobicContact CD2-CB 4.22Å
245	Q	97.6	Very high	97.4	Very high	54 Å²	54	35.3 Å²	35.3	25%	0.252	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	34.1	-176.2	-54.7	-178.7	10.8	0	0	113.2	W72 D73 C241 R242	W72-Q245 VanDerWaalsContact CE2-NE2 3.33Å; W72-Q245 HydrophobicContact CE3-CB 4.24Å; W72-Q245 VanDerWaalsContact CE3-CD 3.43Å; W72-Q245 HydrophobicContact CE3-CG 3.92Å; W72-Q245 HydrophobicContact CH2-CG 4.02Å; W72-Q245 HydrophobicContact CZ3-CB 4.06Å; W72-Q245 HydrophobicContact CZ3-CG 3.64Å; D73-Q245 PolarHBondContact O-NE2 2.93Å; C241-Q245 PolarHBondContact O-N 2.8Å; R242-Q245 PolarHBondContact O-N 2.77Å
246	F	96.3	Very high	97.4	Very high	101 Å²	101	35.3 Å²	35.3	44%	0.443	17%	0.172	S	C	.	.			trans	-78.4	154.6	166.3	-64.3	-27.8	0	0	0	110.1	C241 L244 P248 F254	C241-F246 PolarHBondContact O-N 3.41Å; L244-F246 HydrophobicContact CB-CD1 4.45Å; L244-F246 HydrophobicContact CB-CD2 3.94Å; L244-F246 HydrophobicContact CB-CE1 4.42Å; L244-F246 HydrophobicContact CB-CE2 3.92Å; L244-F246 HydrophobicContact CB-CG 4.22Å; L244-F246 HydrophobicContact CB-CZ 4.17Å; L244-F246 HydrophobicContact CD1-CD2 4.1Å; L244-F246 HydrophobicContact CD1-CE2 3.55Å; L244-F246 HydrophobicContact CD1-CZ 4.14Å; L244-F246 HydrophobicContact CG-CE2 4.42Å; L244-F246 PolarHBondContact O-N 3.36Å; F246-P248 VanDerWaalsContact O-N 3.16Å; F246-F254 HydrophobicContact CD2-CZ 4.38Å
247	P	95.3	Very high	97.4	Very high	77 Å²	77	36.6 Å²	36.6	50%	0.5	18%	0.179	S	C	.	.			trans	-50	123.4	172.2	-27.5	35.3	0	0	0	110.4	E249 A250	P247-E249 WeakPolarHBondContact CB-OE2 3.35Å; P247-E249 PolarHBondContact O-N 3.48Å; P247-A250 VanDerWaalsContact O-CB 3.26Å; P247-A250 WeakPolarHBondContact O-CB 3.41Å; P247-A250 PolarHBondContact O-N 3.22Å
248	P	95.3	Very high	97.4	Very high	29 Å²	29	35.2 Å²	35.2	19%	0.188	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-59.4	-32.6	-173.6	22.3	-32.5	0	0	0	111.9	Y183 Y238 F246 A250 W251	Y183-P248 HydrophobicContact CD1-CB 4Å; Y183-P248 HydrophobicContact CD1-CG 4.04Å; Y183-P248 HydrophobicContact CD2-CB 4.43Å; Y183-P248 HydrophobicContact CE1-CB 4.26Å; Y183-P248 HydrophobicContact CE1-CG 3.78Å; Y183-P248 HydrophobicContact CE2-CG 4.33Å; Y183-P248 HydrophobicContact CG-CB 4.09Å; Y183-P248 HydrophobicContact CG-CG 4.44Å; Y238-P248 HydrophobicContact CE2-CB 4.1Å; F246-P248 VanDerWaalsContact O-N 3.16Å; P248-A250 PolarHBondContact O-N 2.91Å; P248-W251 WeakPolarHBondContact O-CB 3.4Å; P248-W251 PolarHBondContact O-N 3.39Å; P248-W251 VanDerWaalsContact O-N 3.11Å
249	E	96.3	Very high	97.4	Very high	50 Å²	50	34.6 Å²	34.6	23%	0.234	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.4	-20.9	178.2	-54.7	79.5	-178.5	0	0	113.7	Y183 I184 E186 P247 W251	Y183-E249 HydrophobicContact CD1-CG 3.85Å; Y183-E249 HydrophobicContact CE1-CG 3.59Å; Y183-E249 WeakPolarHBondContact CE1-OE1 3.47Å; I184-E249 HydrophobicContact CD1-CG 4.08Å; I184-E249 HydrophobicContact CG1-CG 3.87Å; I184-E249 WeakPolarHBondContact O-CA 3.49Å; E186-E249 HydrophobicContact CB-CB 3.87Å; E186-E249 PolarHBondContact N-O 2.71Å; P247-E249 WeakPolarHBondContact CB-OE2 3.35Å; P247-E249 PolarHBondContact O-N 3.48Å; E249-W251 PolarHBondContact O-N 2.94Å
250	A	96.5	Very high	97.4	Very high	8 Å²	8	34.5 Å²	34.5	7%	0.066	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-73.6	-7.1	179.2	0	0	0	0	0	113.6	P247 P248 I252 R253	P247-A250 VanDerWaalsContact O-CB 3.26Å; P247-A250 WeakPolarHBondContact O-CB 3.41Å; P247-A250 PolarHBondContact O-N 3.22Å; P248-A250 PolarHBondContact O-N 2.91Å; A250-I252 PolarHBondContact O-N 2.64Å; A250-I252 VanDerWaalsContact O-N 3.1Å; A250-R253 WeakPolarHBondContact O-CB 3.38Å; A250-R253 VanDerWaalsContact O-CG 3.29Å; A250-R253 WeakPolarHBondContact O-CG 3.26Å; A250-R253 PolarHBondContact O-N 3.17Å
251	W	97.3	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-52.1	-38.3	-174.2	69.4	-89.7	0	0	0	112.8	P182 Y183 I184 L185 Y192 N234 R237 P248 E249 R253 F254	P182-W251 HydrophobicContact CG-CD2 3.94Å; P182-W251 HydrophobicContact CG-CE3 4.24Å; P182-W251 HydrophobicContact CG-CG 4.35Å; P182-W251 HydrophobicContact CG-CH2 4.5Å; P182-W251 HydrophobicContact CG-CZ2 4.22Å; Y183-W251 PolarHBondContact O-NE1 2.91Å; I184-W251 PolarHBondContact O-NE1 3.48Å; I184-W251 VanDerWaalsContact O-NE1 3.17Å; L185-W251 HydrophobicContact CB-CZ2 4.2Å; L185-W251 HydrophobicContact CD2-CZ2 4.42Å; Y192-W251 HydrophobicContact CD1-CH2 4.46Å; Y192-W251 AromaticContact CE1-CH2 3.72Å; Y192-W251 HydrophobicContact CE1-CH2 3.72Å; Y192-W251 HydrophobicContact CE1-CZ2 4.22Å; N234-W251 HydrophobicContact CB-CE3 4.11Å; N234-W251 HydrophobicContact CB-CH2 4.19Å; N234-W251 HydrophobicContact CB-CZ3 3.59Å; N234-W251 VanDerWaalsContact OD1-CZ3 3.26Å; N234-W251 WeakPolarHBondContact OD1-CZ3 3.46Å; R237-W251 HydrophobicContact CB-CB 4.08Å; R237-W251 HydrophobicContact CB-CE3 4.39Å; R237-W251 WeakPolarHBondContact CB-O 3.4Å; R237-W251 VanDerWaalsContact CD-O 3.28Å; R237-W251 WeakPolarHBondContact CD-O 3.44Å; P248-W251 WeakPolarHBondContact O-CB 3.4Å; P248-W251 PolarHBondContact O-N 3.39Å; P248-W251 VanDerWaalsContact O-N 3.11Å; E249-W251 PolarHBondContact O-N 2.94Å; W251-R253 PolarHBondContact O-N 3.07Å; W251-F254 WeakPolarHBondContact O-CD2 3.16Å; W251-F254 PolarHBondContact O-N 3.12Å
252	I	96.2	Very high	97.5	Very high	32 Å²	32	34.6 Å²	34.6	16%	0.164	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-70	-15.2	-178.7	-160.1	60.5	0	0	0	113.8	L185 L189 A250 F254	L185-I252 HydrophobicContact CB-CB 4.19Å; L185-I252 HydrophobicContact CB-CG2 4.03Å; L189-I252 HydrophobicContact CD1-CD1 3.67Å; L189-I252 HydrophobicContact CD1-CG1 3.44Å; L189-I252 VanDerWaalsContact CD1-CG1 3.44Å; L189-I252 HydrophobicContact CG-CG1 4.13Å; A250-I252 PolarHBondContact O-N 2.64Å; A250-I252 VanDerWaalsContact O-N 3.1Å; I252-F254 PolarHBondContact O-N 3.49Å
253	R	97.2	Very high	97.5	Very high	143 Å²	143	32.6 Å²	32.6	54%	0.54	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-77.3	-8.3	-177.1	-53.9	176.1	-168.2	164	3.9	112.8	E186 A250 W251	E186-R253 VanDerWaalsContact O-CZ 3.29Å; E186-R253 PolarHBondContact O-NE 3.37Å; E186-R253 PolarHBondContact O-NH2 3.44Å; A250-R253 WeakPolarHBondContact O-CB 3.38Å; A250-R253 VanDerWaalsContact O-CG 3.29Å; A250-R253 WeakPolarHBondContact O-CG 3.26Å; A250-R253 PolarHBondContact O-N 3.17Å; W251-R253 PolarHBondContact O-N 3.07Å
254	F	95.9	Very high	97.5	Very high	42 Å²	42	32.6 Å²	32.6	18%	0.184	16%	0.164	C	C	.	.			trans	-99.1	132.1	178.4	-55.8	-64.1	0	0	0	111.2	R237 F246 W251 I252 L277	R237-F254 HydrophobicContact CB-CD2 4.35Å; R237-F254 HydrophobicContact CG-CB 4.01Å; R237-F254 HydrophobicContact CG-CD2 4.49Å; R237-F254 PolarHBondContact NE-O 3.08Å; R237-F254 PolarHBondContact NH2-O 2.92Å; F246-F254 HydrophobicContact CD2-CZ 4.38Å; W251-F254 WeakPolarHBondContact O-CD2 3.16Å; W251-F254 PolarHBondContact O-N 3.12Å; I252-F254 PolarHBondContact O-N 3.49Å; F254-L277 HydrophobicContact CB-CD2 4.45Å; F254-L277 HydrophobicContact CD1-CD2 3.52Å; F254-L277 HydrophobicContact CE1-CD2 4.01Å; F254-L277 HydrophobicContact CG-CD2 4.16Å
255	S	96.9	Very high	97.5	Very high	73 Å²	73	31.4 Å²	31.4	51%	0.51	16%	0.158	S	C	.	.			trans	-99.7	138.8	168.7	-169.8	0	0	0	0	110.1	V290	S255-V290 WeakPolarHBondContact OG-CG1 3.42Å
256	L	98.4	Very high	97.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.			trans	-132.3	120.9	-179.9	-59.4	178.1	0	0	0	108	R107 I236 R237 L277	R107-L256 WeakPolarHBondContact CD-O 3.48Å; R107-L256 PolarHBondContact NH1-O 3.17Å; I236-L256 HydrophobicContact CB-CD1 3.77Å; I236-L256 HydrophobicContact CD1-CD1 4.47Å; I236-L256 HydrophobicContact CG2-CD1 3.62Å; R237-L256 HydrophobicContact CG-CD1 3.87Å; R237-L256 HydrophobicContact CG-CG 4.33Å; L256-L277 HydrophobicContact CD2-CD1 3.8Å; L256-L277 HydrophobicContact CD2-CG 4.06Å
257	D	98.6	Very high	97.7	Very high	28 Å²	28	27.7 Å²	27.7	15%	0.15	14%	0.139	C	C	.	.			trans	-70.2	156.9	179.2	-52.4	-24.1	0	0	0	110.8	R107 S260 S280 I288 S289 V290	R107-D257 WeakPolarHBondContact CD-O 3.29Å; D257-S260 PolarHBondContact N-OG 3.03Å; D257-S260 WeakPolarHBondContact O-CB 3.12Å; D257-S260 PolarHBondContact O-N 2.99Å; D257-S260 VanDerWaalsContact O-N 3.1Å; D257-S260 PolarHBondContact O-OG 3.08Å; D257-S280 VanDerWaalsContact OD2-CB 3.24Å; D257-S280 WeakPolarHBondContact OD2-CB 3.48Å; D257-S280 PolarHBondContact OD2-OG 2.77Å; D257-I288 HydrophobicContact CB-CG2 4.14Å; D257-I288 WeakPolarHBondContact OD2-CG2 3.36Å; D257-S289 CarbonylContact C-O 3.47Å; D257-S289 WeakPolarHBondContact CA-O 3.23Å; D257-S289 WeakPolarHBondContact CB-O 3.28Å; D257-V290 VanDerWaalsContact OD1-CG2 3.3Å; D257-V290 WeakPolarHBondContact OD1-CG2 3.49Å
258	H	98.8	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	138.3	170.3	-68.7	115.6	0	0	0	111.1	R107 H108 G109 S260 M283 S289 Q291	R107-H258 PolarHBondContact NH2-NE2 3.11Å; H108-H258 AromaticContact CE1-CD2 3.74Å; H108-H258 AromaticContact CE1-NE2 3.79Å; H108-H258 AromaticContact ND1-CD2 3.89Å; H108-H258 WeakPolarHBondContact O-CA 3.08Å; H108-H258 PolarHBondContact O-CD2 2.86Å; G109-H258 VanDerWaalsContact C-CD2 3.48Å; G109-H258 PolarHBondContact O-CD2 3.16Å; H258-S260 PolarHBondContact O-N 2.97Å; H258-S260 VanDerWaalsContact O-N 3.12Å; H258-M283 VanDerWaalsContact O-CE 3.29Å; H258-M283 WeakPolarHBondContact O-CE 3.37Å; H258-S289 PolarHBondContact N-O 2.84Å; H258-S289 PolarHBondContact ND1-O 2.77Å; H258-S289 PolarHBondContact ND1-OG 3.35Å; H258-Q291 PolarHBondContact CE1-O 3.33Å
259	G	98.7	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	6.5	-174.5	0	0	0	0	0	114.8	R107 H108 T133 M283	R107-G259 WeakPolarHBondContact O-CA 3.34Å; R107-G259 PolarHBondContact O-N 2.82Å; H108-G259 PolarHBondContact O-N 2.94Å; T133-G259 WeakPolarHBondContact CG2-O 3.5Å; T133-G259 PolarHBondContact OG1-O 3.19Å; G259-M283 VanDerWaalsContact O-CE 3.26Å; G259-M283 WeakPolarHBondContact O-CE 3.29Å
260	S	98.8	Very high	97.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.			trans	-68.5	150	179.2	65.2	0	0	0	0	112.4	I106 R107 D257 H258 G278 N279	I106-S260 WeakPolarHBondContact CA-O 3.32Å; R107-S260 PolarHBondContact N-O 3.23Å; D257-S260 PolarHBondContact N-OG 3.03Å; D257-S260 WeakPolarHBondContact O-CB 3.12Å; D257-S260 PolarHBondContact O-N 2.99Å; D257-S260 VanDerWaalsContact O-N 3.1Å; D257-S260 PolarHBondContact O-OG 3.08Å; H258-S260 PolarHBondContact O-N 2.97Å; H258-S260 VanDerWaalsContact O-N 3.12Å; S260-G278 VanDerWaalsContact CB-C 3.46Å; S260-N279 WeakPolarHBondContact CA-O 3.33Å
261	I	98.9	Very high	97.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.4	179.2	-55.4	171.5	0	0	0	109.7	L104 F105 I106 T133 R136 L137 W276 N279	L104-I261 HydrophobicContact CB-CG2 4.47Å; L104-I261 HydrophobicContact CD2-CG2 4.23Å; F105-I261 CarbonylContact O-C 3.47Å; F105-I261 WeakPolarHBondContact O-CA 3.31Å; I106-I261 HydrophobicContact CG1-CG1 4.41Å; T133-I261 HydrophobicContact CG2-CD1 4.14Å; T133-I261 HydrophobicContact CG2-CG1 3.98Å; R136-I261 HydrophobicContact CB-CD1 4.49Å; R136-I261 HydrophobicContact CG-CD1 3.99Å; L137-I261 HydrophobicContact CD2-CD1 4.12Å; I261-W276 HydrophobicContact CB-CE3 4.48Å; I261-W276 HydrophobicContact CG2-CE3 4.08Å; I261-W276 HydrophobicContact CG2-CZ3 4.42Å; I261-N279 PolarHBondContact N-O 3.26Å; I261-N279 WeakPolarHBondContact O-CB 3.3Å; I261-N279 PolarHBondContact O-N 3.37Å
262	T	98.9	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.3	168.7	-64	0	0	0	0	108.8	L104 F105 I236 V240 L274 W276 L277 G278	L104-T262 CarbonylContact C-O 3.5Å; L104-T262 WeakPolarHBondContact CA-O 3.35Å; F105-T262 PolarHBondContact N-O 2.7Å; F105-T262 PolarHBondContact O-N 2.94Å; I236-T262 HydrophobicContact CG2-CG2 4Å; V240-T262 HydrophobicContact CG2-CG2 3.72Å; T262-L274 HydrophobicContact CG2-CD1 3.86Å; T262-W276 CarbonylContact C-O 3.59Å; T262-W276 WeakPolarHBondContact CA-O 3.35Å; T262-W276 WeakPolarHBondContact CG2-O 3.28Å; T262-L277 HydrophobicContact CG2-CD1 3.86Å; T262-G278 PolarHBondContact OG1-N 3.32Å
263	W	98.8	Very high	97.9	Very high	22 Å²	22	32.9 Å²	32.9	8%	0.083	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	109.2	-172	-175.9	6.4	0	0	0	111.5	H102 L103 L104 F142 Y226 R275 W276	H102-W263 AromaticContact CG-NE1 3.76Å; H102-W263 AromaticContact ND1-CE2 3.52Å; H102-W263 AromaticContact ND1-CZ2 3.3Å; H102-W263 VanDerWaalsContact ND1-CZ2 3.3Å; H102-W263 WeakPolarHBondContact ND1-CZ2 3.29Å; H102-W263 AromaticContact ND1-NE1 3.22Å; H102-W263 PolarHBondContact ND1-NE1 3.5Å; L103-W263 WeakPolarHBondContact O-CA 3.37Å; L104-W263 HydrophobicContact CG-CG 4.27Å; F142-W263 AromaticContact CE2-CH2 3.54Å; F142-W263 HydrophobicContact CE2-CH2 3.54Å; F142-W263 HydrophobicContact CE2-CZ2 4.14Å; F142-W263 HydrophobicContact CE2-CZ3 4.05Å; F142-W263 AromaticContact CZ-CH2 3.5Å; F142-W263 HydrophobicContact CZ-CH2 3.5Å; F142-W263 HydrophobicContact CZ-CZ2 4.28Å; F142-W263 HydrophobicContact CZ-CZ3 4.21Å; Y226-W263 HydrophobicContact CE1-CZ2 4Å; W263-R275 HydrophobicContact CB-CB 4.03Å; W263-R275 HydrophobicContact CD2-CB 3.97Å; W263-R275 HydrophobicContact CD2-CG 4.25Å; W263-R275 HydrophobicContact CE3-CB 4.11Å; W263-R275 HydrophobicContact CG-CB 3.94Å; W263-R275 HydrophobicContact CG-CG 4.41Å; W263-R275 PolarHBondContact O-N 3.36Å; W263-W276 HydrophobicContact CB-CB 4.2Å; W263-W276 HydrophobicContact CB-CE3 4.37Å; W263-W276 AromaticContact CE3-CD2 3.99Å; W263-W276 HydrophobicContact CE3-CD2 3.99Å; W263-W276 AromaticContact CE3-CE3 3.82Å; W263-W276 HydrophobicContact CE3-CE3 3.82Å; W263-W276 AromaticContact CE3-CH2 3.96Å; W263-W276 HydrophobicContact CE3-CH2 3.96Å; W263-W276 HydrophobicContact CE3-CZ2 4.14Å; W263-W276 AromaticContact CE3-CZ3 3.81Å; W263-W276 HydrophobicContact CE3-CZ3 3.81Å; W263-W276 AromaticContact CZ3-CH2 3.91Å; W263-W276 HydrophobicContact CZ3-CH2 3.91Å; W263-W276 HydrophobicContact CZ3-CZ2 4.09Å; W263-W276 HydrophobicContact CZ3-CZ3 4.18Å; W263-W276 PolarHBondContact N-O 3.45Å
264	L	98.8	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.2	170.7	-71.2	172.9	0	0	0	110.8	L103 F105 A243 L244 V272 T273 L274	L103-L264 HydrophobicContact CB-CB 4.42Å; L103-L264 PolarHBondContact N-O 3.5Å; L103-L264 PolarHBondContact O-N 3.09Å; F105-L264 HydrophobicContact CE2-CB 4.35Å; F105-L264 HydrophobicContact CE2-CD1 3.85Å; F105-L264 HydrophobicContact CE2-CG 4.3Å; A243-L264 HydrophobicContact CB-CD1 3.73Å; A243-L264 HydrophobicContact CB-CD2 4.42Å; L244-L264 HydrophobicContact CD2-CD2 4.39Å; L264-V272 HydrophobicContact CD2-CG1 3.91Å; L264-T273 CarbonylContact C-O 3.57Å; L264-T273 WeakPolarHBondContact CA-O 3.45Å; L264-L274 HydrophobicContact CD2-CB 4.07Å; L264-L274 HydrophobicContact CD2-CD1 3.64Å; L264-L274 HydrophobicContact CD2-CG 4.48Å; L264-L274 HydrophobicContact CG-CD1 4.19Å
265	V	98.8	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.4	175.6	-177.2	0	0	0	0	108.3	T100 R101 V272 T273 R275	T100-V265 HydrophobicContact CG2-CG1 3.35Å; R101-V265 WeakPolarHBondContact O-CA 3.44Å; V265-V272 CarbonylContact O-C 3.54Å; V265-V272 WeakPolarHBondContact O-CA 3.33Å; V265-T273 PolarHBondContact N-O 3.31Å; V265-T273 PolarHBondContact O-N 3.15Å; V265-R275 HydrophobicContact CG2-CG 3.52Å
266	I	98.6	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.1	178.6	-53.3	172.7	0	0	0	108.1	W76 T100 R101 L103 I214 H215 R216 V272	W76-I266 HydrophobicContact CH2-CD1 4.23Å; W76-I266 HydrophobicContact CH2-CG2 4.46Å; W76-I266 HydrophobicContact CZ2-CG2 4.05Å; T100-I266 WeakPolarHBondContact CA-O 3.47Å; T100-I266 WeakPolarHBondContact CG2-O 3.44Å; R101-I266 HydrophobicContact CB-CB 4.39Å; R101-I266 PolarHBondContact N-O 3.12Å; R101-I266 PolarHBondContact O-N 3.19Å; L103-I266 HydrophobicContact CD1-CD1 3.67Å; L103-I266 HydrophobicContact CG-CD1 4.37Å; I214-I266 HydrophobicContact CG2-CD1 3.83Å; H215-I266 WeakPolarHBondContact O-CD1 3.35Å; R216-I266 HydrophobicContact CG-CG2 4.05Å; I266-V272 HydrophobicContact CG1-CG2 4.31Å
267	R	97.8	Very high	98.1	Very high	76 Å²	76	35.6 Å²	35.6	29%	0.287	16%	0.162	S	C	.	.			trans	-80.9	158.2	178.5	-64.7	-57.3	-171.4	178.9	5.2	111.2	T100 D269 G270 R271	T100-R267 PolarHBondContact OG1-NH1 3.34Å; R267-D269 VanDerWaalsContact CB-OD1 3.32Å; R267-D269 WeakPolarHBondContact CB-OD1 3.39Å; R267-D269 PolarHBondContact O-N 2.73Å; R267-D269 VanDerWaalsContact O-N 3.16Å; R267-G270 PolarHBondContact O-N 3.04Å; R267-R271 HydrophobicContact CB-CB 4.31Å; R267-R271 PolarHBondContact N-O 3.02Å
268	P	95.7	Very high	98.1	Very high	31 Å²	31	34.8 Å²	34.8	20%	0.201	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.6	-176.6	-13.4	21.9	0	0	0	114	P97 K98 C99 R216 G270	P97-P268 HydrophobicContact CB-CB 4.18Å; P97-P268 WeakPolarHBondContact O-CB 3.32Å; K98-P268 VanDerWaalsContact C-CG 3.46Å; K98-P268 VanDerWaalsContact O-CG 3.29Å; K98-P268 WeakPolarHBondContact O-CG 3.38Å; C99-P268 WeakPolarHBondContact O-CG 3.46Å; R216-P268 WeakPolarHBondContact CD-O 3.16Å; P268-G270 VanDerWaalsContact C-N 3.27Å; P268-G270 PolarHBondContact O-N 3.36Å
269	D	93.9	Very high	98.1	Very high	60 Å²	60	37.2 Å²	37.2	32%	0.321	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.4	176.6	62.1	7.9	0	0	0	114.2	R216 R267 R271	R216-D269 PolarHBondContact NH1-O 2.96Å; R267-D269 VanDerWaalsContact CB-OD1 3.32Å; R267-D269 WeakPolarHBondContact CB-OD1 3.39Å; R267-D269 PolarHBondContact O-N 2.73Å; R267-D269 VanDerWaalsContact O-N 3.16Å; D269-R271 WeakPolarHBondContact OD1-CB 3.45Å; D269-R271 PolarHBondContact OD1-N 3.1Å; D269-R271 IonicContact OD1-NE 2.7Å; D269-R271 PolarHBondContact OD1-NE 3.4Å; D269-R271 IonicContact OD1-NH2 3.71Å; D269-R271 IonicContact OD2-CZ 2.96Å; D269-R271 IonicContact OD2-NE 3.64Å; D269-R271 PolarHBondContact OD2-NE 3.19Å; D269-R271 IonicContact OD2-NH2 3.78Å; D269-R271 PolarHBondContact OD2-NH2 3.39Å
270	G	96.2	Very high	98.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	95	-2.1	177.8	0	0	0	0	0	113.9	W72 W76 R216 R267 P268	W72-G270 WeakPolarHBondContact CZ2-O 3.49Å; W76-G270 PolarHBondContact NE1-O 3.16Å; R216-G270 VanDerWaalsContact CD-CA 3.47Å; R267-G270 PolarHBondContact O-N 3.04Å; P268-G270 VanDerWaalsContact C-N 3.27Å; P268-G270 PolarHBondContact O-N 3.36Å
271	R	98	Very high	98.1	Very high	133 Å²	133	41 Å²	41	50%	0.502	21%	0.21	S	C	.	.			trans	-66	138.2	171.4	-70.2	179.7	-68.2	165.2	-6.3	110.6	W74 R267 D269	W74-R271 HydrophobicContact CH2-CG 3.86Å; W74-R271 HydrophobicContact CZ3-CG 3.86Å; R267-R271 HydrophobicContact CB-CB 4.31Å; R267-R271 PolarHBondContact N-O 3.02Å; D269-R271 WeakPolarHBondContact OD1-CB 3.45Å; D269-R271 PolarHBondContact OD1-N 3.1Å; D269-R271 IonicContact OD1-NE 2.7Å; D269-R271 PolarHBondContact OD1-NE 3.4Å; D269-R271 IonicContact OD1-NH2 3.71Å; D269-R271 IonicContact OD2-CZ 2.96Å; D269-R271 IonicContact OD2-NE 3.64Å; D269-R271 PolarHBondContact OD2-NE 3.19Å; D269-R271 IonicContact OD2-NH2 3.78Å; D269-R271 PolarHBondContact OD2-NH2 3.39Å
272	V	98.7	Very high	98	Very high	17 Å²	17	42.7 Å²	42.7	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.4	174.7	-175.2	0	0	0	0	110	W72 W76 A243 L244 L264 V265 I266	W72-V272 HydrophobicContact CH2-CB 3.94Å; W72-V272 HydrophobicContact CH2-CG2 3.94Å; W72-V272 HydrophobicContact CZ2-CB 4.43Å; W72-V272 HydrophobicContact CZ2-CG2 4.08Å; W76-V272 HydrophobicContact CH2-CG2 4.23Å; W76-V272 HydrophobicContact CZ2-CG2 3.64Å; A243-V272 HydrophobicContact CB-CG1 4.11Å; A243-V272 WeakPolarHBondContact O-CB 3.24Å; A243-V272 WeakPolarHBondContact O-CG2 3.37Å; L244-V272 HydrophobicContact CD2-CB 4.34Å; L244-V272 HydrophobicContact CD2-CG1 3.93Å; L264-V272 HydrophobicContact CD2-CG1 3.91Å; V265-V272 CarbonylContact O-C 3.54Å; V265-V272 WeakPolarHBondContact O-CA 3.33Å; I266-V272 HydrophobicContact CG1-CG2 4.31Å
273	T	98.7	Very high	98	Very high	65 Å²	65	43.1 Å²	43.1	40%	0.399	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128	173.9	-57.9	0	0	0	0	110	L264 V265	L264-T273 CarbonylContact C-O 3.57Å; L264-T273 WeakPolarHBondContact CA-O 3.45Å; V265-T273 PolarHBondContact N-O 3.31Å; V265-T273 PolarHBondContact O-N 3.15Å
274	L	98.8	Very high	98	Very high	51 Å²	51	44.6 Å²	44.6	27%	0.267	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	107.5	167.5	-176	67.7	0	0	0	109.3	V240 L244 T262 L264 W276 L277	V240-L274 HydrophobicContact CG1-CD1 4.36Å; V240-L274 HydrophobicContact CG1-CD2 3.94Å; V240-L274 HydrophobicContact CG2-CD1 4.19Å; L244-L274 HydrophobicContact CD1-CB 3.87Å; L244-L274 HydrophobicContact CD1-CD2 3.9Å; L244-L274 HydrophobicContact CD1-CG 4.45Å; L244-L274 HydrophobicContact CD2-CB 4.22Å; T262-L274 HydrophobicContact CG2-CD1 3.86Å; L264-L274 HydrophobicContact CD2-CB 4.07Å; L264-L274 HydrophobicContact CD2-CD1 3.64Å; L264-L274 HydrophobicContact CD2-CG 4.48Å; L264-L274 HydrophobicContact CG-CD1 4.19Å; L274-W276 WeakPolarHBondContact CD1-O 3.38Å; L274-L277 HydrophobicContact CD1-CD1 4.47Å; L274-L277 HydrophobicContact CD2-CB 3.93Å; L274-L277 HydrophobicContact CD2-CD1 4.25Å; L274-L277 HydrophobicContact CD2-CD2 4.31Å; L274-L277 HydrophobicContact CD2-CG 4.39Å; L274-L277 HydrophobicContact CG-CB 4.43Å
275	R	98.4	Very high	98	Very high	137 Å²	137	49.6 Å²	49.6	52%	0.517	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-47.6	178	-74.1	-78.9	-177.4	151.8	0.4	111.2	W263 V265	W263-R275 HydrophobicContact CB-CB 4.03Å; W263-R275 HydrophobicContact CD2-CB 3.97Å; W263-R275 HydrophobicContact CD2-CG 4.25Å; W263-R275 HydrophobicContact CE3-CB 4.11Å; W263-R275 HydrophobicContact CG-CB 3.94Å; W263-R275 HydrophobicContact CG-CG 4.41Å; W263-R275 PolarHBondContact O-N 3.36Å; V265-R275 HydrophobicContact CG2-CG 3.52Å
276	W	98.4	Very high	97.9	Very high	66 Å²	66	56.4 Å²	56.4	25%	0.25	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.8	179.5	-64.1	-25.6	0	0	0	109.7	L140 I261 T262 W263 L274 N279	L140-W276 HydrophobicContact CD1-CH2 4.03Å; L140-W276 HydrophobicContact CD1-CZ3 4.03Å; L140-W276 HydrophobicContact CD2-CH2 4.14Å; I261-W276 HydrophobicContact CB-CE3 4.48Å; I261-W276 HydrophobicContact CG2-CE3 4.08Å; I261-W276 HydrophobicContact CG2-CZ3 4.42Å; T262-W276 CarbonylContact C-O 3.59Å; T262-W276 WeakPolarHBondContact CA-O 3.35Å; T262-W276 WeakPolarHBondContact CG2-O 3.28Å; W263-W276 HydrophobicContact CB-CB 4.2Å; W263-W276 HydrophobicContact CB-CE3 4.37Å; W263-W276 AromaticContact CE3-CD2 3.99Å; W263-W276 HydrophobicContact CE3-CD2 3.99Å; W263-W276 AromaticContact CE3-CE3 3.82Å; W263-W276 HydrophobicContact CE3-CE3 3.82Å; W263-W276 AromaticContact CE3-CH2 3.96Å; W263-W276 HydrophobicContact CE3-CH2 3.96Å; W263-W276 HydrophobicContact CE3-CZ2 4.14Å; W263-W276 AromaticContact CE3-CZ3 3.81Å; W263-W276 HydrophobicContact CE3-CZ3 3.81Å; W263-W276 AromaticContact CZ3-CH2 3.91Å; W263-W276 HydrophobicContact CZ3-CH2 3.91Å; W263-W276 HydrophobicContact CZ3-CZ2 4.09Å; W263-W276 HydrophobicContact CZ3-CZ3 4.18Å; W263-W276 PolarHBondContact N-O 3.45Å; L274-W276 WeakPolarHBondContact CD1-O 3.38Å; W276-N279 HydrophobicContact CB-CB 3.91Å; W276-N279 HydrophobicContact CD2-CB 4.33Å; W276-N279 HydrophobicContact CE3-CB 4.41Å; W276-N279 HydrophobicContact CG-CB 4.11Å
277	L	98.5	Very high	97.9	Very high	61 Å²	61	57.5 Å²	57.5	32%	0.319	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.4	170	-174.7	63.6	0	0	0	108.1	V240 F254 L256 T262 L274 N279	V240-L277 HydrophobicContact CG1-CD1 4.24Å; V240-L277 HydrophobicContact CG2-CD1 3.99Å; F254-L277 HydrophobicContact CB-CD2 4.45Å; F254-L277 HydrophobicContact CD1-CD2 3.52Å; F254-L277 HydrophobicContact CE1-CD2 4.01Å; F254-L277 HydrophobicContact CG-CD2 4.16Å; L256-L277 HydrophobicContact CD2-CD1 3.8Å; L256-L277 HydrophobicContact CD2-CG 4.06Å; T262-L277 HydrophobicContact CG2-CD1 3.86Å; L274-L277 HydrophobicContact CD1-CD1 4.47Å; L274-L277 HydrophobicContact CD2-CB 3.93Å; L274-L277 HydrophobicContact CD2-CD1 4.25Å; L274-L277 HydrophobicContact CD2-CD2 4.31Å; L274-L277 HydrophobicContact CD2-CG 4.39Å; L274-L277 HydrophobicContact CG-CB 4.43Å; L277-N279 PolarHBondContact O-N 3.12Å
278	G	98.4	Very high	97.9	Very high	11 Å²	11	56.9 Å²	56.9	11%	0.113	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.2	36.4	177.7	0	0	0	0	0	113.9	S260 T262 S280	S260-G278 VanDerWaalsContact CB-C 3.46Å; T262-G278 PolarHBondContact OG1-N 3.32Å; G278-S280 PolarHBondContact O-N 2.93Å
279	N	98.5	Very high	98.1	Very high	51 Å²	51	56.4 Å²	56.4	27%	0.273	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	113.8	-178.8	-172.9	-33.8	0	0	0	110.7	S260 I261 W276 L277 G281 H282	S260-N279 WeakPolarHBondContact CA-O 3.33Å; I261-N279 PolarHBondContact N-O 3.26Å; I261-N279 WeakPolarHBondContact O-CB 3.3Å; I261-N279 PolarHBondContact O-N 3.37Å; W276-N279 HydrophobicContact CB-CB 3.91Å; W276-N279 HydrophobicContact CD2-CB 4.33Å; W276-N279 HydrophobicContact CE3-CB 4.41Å; W276-N279 HydrophobicContact CG-CB 4.11Å; L277-N279 PolarHBondContact O-N 3.12Å; N279-G281 PolarHBondContact OD1-N 3.01Å; N279-H282 PolarHBondContact O-CE1 3.07Å
280	S	98.4	Very high	97.9	Very high	13 Å²	13	56.5 Å²	56.5	9%	0.091	30%	0.304	C	S	.	.			trans	-116.6	10.7	176.7	54.4	0	0	0	0	112.4	D257 G278 H282 M283	D257-S280 VanDerWaalsContact OD2-CB 3.24Å; D257-S280 WeakPolarHBondContact OD2-CB 3.48Å; D257-S280 PolarHBondContact OD2-OG 2.77Å; G278-S280 PolarHBondContact O-N 2.93Å; S280-H282 PolarHBondContact O-N 3.29Å; S280-M283 WeakPolarHBondContact O-CB 3.35Å; S280-M283 PolarHBondContact O-N 2.63Å
281	G	98.2	Very high	96.7	Very high	66 Å²	66	66.5 Å²	66.5	68%	0.68	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.6	-176	0	0	0	0	0	114.6	N279 M283	N279-G281 PolarHBondContact OD1-N 3.01Å; G281-M283 VanDerWaalsContact C-N 3.3Å
282	H	98.4	Very high	96.7	Very high	37 Å²	37	63.2 Å²	63.2	17%	0.171	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.1	169.6	59.3	-82.7	0	0	0	113.7	C132 T133 R136 N279 S280	C132-H282 PolarHBondContact O-CD2 3.42Å; T133-H282 WeakPolarHBondContact CA-NE2 3.1Å; T133-H282 PolarHBondContact OG1-NE2 2.86Å; R136-H282 HydrophobicContact CB-CB 3.76Å; R136-H282 HydrophobicContact CG-CB 3.67Å; N279-H282 PolarHBondContact O-CE1 3.07Å; S280-H282 PolarHBondContact O-N 3.29Å
283	M	98.6	Very high	96.5	Very high	9 Å²	9	65.6 Å²	65.6	4%	0.044	36%	0.356	C	S	.	.	S	Bend	trans	-100.1	139.8	176	-56.9	-176.8	-158	0	0	110.2	Q129 C132 T133 H258 G259 S280 G281 L287 I288	Q129-M283 HydrophobicContact CB-CE 4.26Å; Q129-M283 HydrophobicContact CB-SD 3.99Å; Q129-M283 HydrophobicContact CG-SD 3.9Å; C132-M283 HydrophobicContact CB-CG 3.96Å; T133-M283 WeakPolarHBondContact OG1-CE 3.47Å; H258-M283 VanDerWaalsContact O-CE 3.29Å; H258-M283 WeakPolarHBondContact O-CE 3.37Å; G259-M283 VanDerWaalsContact O-CE 3.26Å; G259-M283 WeakPolarHBondContact O-CE 3.29Å; S280-M283 WeakPolarHBondContact O-CB 3.35Å; S280-M283 PolarHBondContact O-N 2.63Å; G281-M283 VanDerWaalsContact C-N 3.3Å; M283-L287 HydrophobicContact CB-CB 4.34Å; M283-I288 HydrophobicContact CB-CG1 4.14Å
284	P	98.1	Very high	96.4	Very high	52 Å²	52	65.7 Å²	65.7	34%	0.338	35%	0.354	S	S	.	.			trans	-53	143.8	162.4	-24.5	34.2	0	0	0	111	E286 L287	P284-E286 HydrophobicContact CB-CG 4.23Å; P284-E286 VanDerWaalsContact CB-OE1 3.27Å; P284-E286 WeakPolarHBondContact CB-OE1 3.28Å; P284-E286 VanDerWaalsContact CB-OE2 3.28Å; P284-E286 WeakPolarHBondContact CB-OE2 3.27Å; P284-E286 PolarHBondContact O-N 3.22Å; P284-E286 VanDerWaalsContact O-N 3.12Å; P284-L287 HydrophobicContact CB-CG 4.44Å; P284-L287 HydrophobicContact CG-CD1 4.36Å; P284-L287 PolarHBondContact O-N 3.01Å
285	P	98.1	Very high	96.3	Very high	105 Å²	105	66.5 Å²	66.5	68%	0.682	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-53.7	-35.1	-176	-28.1	35.6	0	0	0	114.5	L287 I288	P285-L287 PolarHBondContact O-N 2.97Å; P285-I288 PolarHBondContact O-N 2.99Å; P285-I288 VanDerWaalsContact O-N 3.16Å
286	E	98.2	Very high	96.2	Very high	144 Å²	144	62.1 Å²	62.1	67%	0.673	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-65.1	-17.5	178	63.9	-88.8	-154.8	0	0	113.9	P284	P284-E286 HydrophobicContact CB-CG 4.23Å; P284-E286 VanDerWaalsContact CB-OE1 3.27Å; P284-E286 WeakPolarHBondContact CB-OE1 3.28Å; P284-E286 VanDerWaalsContact CB-OE2 3.28Å; P284-E286 WeakPolarHBondContact CB-OE2 3.27Å; P284-E286 PolarHBondContact O-N 3.22Å; P284-E286 VanDerWaalsContact O-N 3.12Å
287	L	98.4	Very high	96	Very high	22 Å²	22	61.9 Å²	61.9	12%	0.115	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-94.4	-8.7	177.1	-55.9	-169.7	0	0	0	113.1	L125 Q128 Q129 M283 P284 P285	L125-L287 HydrophobicContact CD1-CB 4Å; L125-L287 HydrophobicContact CD1-CD2 3.61Å; L125-L287 HydrophobicContact CD1-CG 4.39Å; Q128-L287 HydrophobicContact CB-CD1 4.09Å; Q128-L287 HydrophobicContact CB-CD2 4.41Å; Q129-L287 HydrophobicContact CG-CB 4.45Å; Q129-L287 VanDerWaalsContact CG-O 3.3Å; Q129-L287 WeakPolarHBondContact CG-O 3.28Å; Q129-L287 PolarHBondContact NE2-O 2.79Å; M283-L287 HydrophobicContact CB-CB 4.34Å; P284-L287 HydrophobicContact CB-CG 4.44Å; P284-L287 HydrophobicContact CG-CD1 4.36Å; P284-L287 PolarHBondContact O-N 3.01Å; P285-L287 PolarHBondContact O-N 2.97Å
288	I	98.4	Very high	95.8	Very high	64 Å²	64	61.9 Å²	61.9	33%	0.328	36%	0.358	S	S	.	.			trans	-79	130	-175.5	-61.1	178.4	0	0	0	110.4	D257 M283 P285	D257-I288 HydrophobicContact CB-CG2 4.14Å; D257-I288 WeakPolarHBondContact OD2-CG2 3.36Å; M283-I288 HydrophobicContact CB-CG1 4.14Å; P285-I288 PolarHBondContact O-N 2.99Å; P285-I288 VanDerWaalsContact O-N 3.16Å
289	S	98.3	Very high	95.6	Very high	20 Å²	20	65.8 Å²	65.8	14%	0.14	38%	0.377	C	S	.	.			trans	-149.9	154.3	176.3	66.4	0	0	0	0	111.7	Q129 D257 H258	Q129-S289 PolarHBondContact NE2-OG 3.19Å; D257-S289 CarbonylContact C-O 3.47Å; D257-S289 WeakPolarHBondContact CA-O 3.23Å; D257-S289 WeakPolarHBondContact CB-O 3.28Å; H258-S289 PolarHBondContact N-O 2.84Å; H258-S289 PolarHBondContact ND1-O 2.77Å; H258-S289 PolarHBondContact ND1-OG 3.35Å
290	V	91	Very high	95.4	Very high	63 Å²	63	67.1 Å²	67.1	38%	0.382	39%	0.385	S	S	.	.			trans	-122.6	-21.4	-166.8	-172.3	0	0	0	0	114.4	R107 S255 D257	R107-V290 PolarHBondContact NH1-O 2.99Å; R107-V290 PolarHBondContact NH2-O 3.22Å; S255-V290 WeakPolarHBondContact OG-CG1 3.42Å; D257-V290 VanDerWaalsContact OD1-CG2 3.3Å; D257-V290 WeakPolarHBondContact OD1-CG2 3.49Å
291	Q	70.9	Confident	95.1	Very high	210 Å²	210	72 Å²	72	98%	0.981	41%	0.412	S	S	*	.			trans	-92.4	0	-172.2	-74.2	-174.5	-16.1	0	0	112.9	R107 H258	R107-Q291 PolarHBondContact NH2-OXT 3.21Å; H258-Q291 PolarHBondContact CE1-O 3.33Å

Retrieved 291 of 291 residues in 81.4 ms (Link to these results)

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