A0A096MB19_POEFO Loading...

Matrix metallopeptidase 21

AlphaFold DB , UniProt , Accession A0A096MB19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 620 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	T	55.1	Low	44.4	Very low	169 Å²	169	128.8 Å²	128.8	100%	1.037	68%	0.679	S	S	*	*				0	6.3	0	41.5	0	0	0	0	114.5
2	M	44.8	Very low	43.7	Very low	150 Å²	150	126.6 Å²	126.6	74%	0.739	67%	0.674	S	S	*	*			trans	-113.1	6.3	177.8	-87.9	-84.3	155.1	0	0	114.3
3	L	44.1	Very low	42.9	Very low	148 Å²	148	130.7 Å²	130.7	78%	0.775	68%	0.683	S	S	*	*	S	Bend	trans	-103.1	-13.4	177.7	-112.4	83.3	0	0	0	114.4
4	T	51	Low	42.1	Very low	101 Å²	101	131.7 Å²	131.7	62%	0.62	69%	0.689	S	S	*	*	H	α-helix	trans	-91.5	-16.2	-176.7	44.3	0	0	0	0	113.9
5	I	49.8	Very low	41.5	Very low	100 Å²	100	129.9 Å²	129.9	51%	0.513	69%	0.686	S	S	.	*	H	α-helix	trans	-84.2	-32.6	-180	-64.2	171.7	0	0	0	111.4	L8 M9	I5-L8 PolarHBondContact O-N 3.49Å; I5-M9 PolarHBondContact O-N 2.89Å
6	I	49.3	Very low	40.8	Very low	110 Å²	110	129.1 Å²	129.1	56%	0.564	68%	0.682	S	S	*	*	H	α-helix	trans	-72.4	-35.3	179.9	-62.3	175.3	0	0	0	111.1	L10	I6-L10 HydrophobicContact CG2-CD1 4.07Å; I6-L10 PolarHBondContact O-N 3.15Å; I6-L10 VanDerWaalsContact O-N 3.13Å
7	Q	42.7	Very low	40.4	Very low	144 Å²	144	128.2 Å²	128.2	67%	0.673	69%	0.685	S	S	*	*	H	α-helix	trans	-71.3	-28.3	173.9	-87	-177.7	-28.9	0	0	113.3	L11	Q7-L11 PolarHBondContact O-N 2.94Å
8	L	41.1	Very low	39.9	Very low	129 Å²	129	128.4 Å²	128.4	68%	0.675	69%	0.687	S	S	*	*	H	α-helix	trans	-77.6	-34.1	175.5	-145.2	80.9	0	0	0	112.1	I5 L11 V12	I5-L8 PolarHBondContact O-N 3.49Å; L8-L11 PolarHBondContact O-N 3.02Å; L8-V12 PolarHBondContact O-N 2.79Å
9	M	39.9	Very low	39.6	Very low	123 Å²	123	129.5 Å²	129.5	61%	0.606	69%	0.687	S	S	*	*	H	α-helix	trans	-68.6	-33.5	173.2	-79.1	-90.8	177.4	0	0	112.5	I5 L11 V12 F13	I5-M9 PolarHBondContact O-N 2.89Å; M9-L11 VanDerWaalsContact C-N 3.35Å; M9-L11 PolarHBondContact O-N 3.12Å; M9-V12 PolarHBondContact O-N 3.1Å; M9-F13 WeakPolarHBondContact O-CD2 3.16Å; M9-F13 PolarHBondContact O-N 2.94Å
10	L	36.7	Very low	39.4	Very low	113 Å²	113	127.5 Å²	127.5	59%	0.592	69%	0.689	S	S	*	*	H	α-helix	trans	-73.9	-20	176.6	-102.1	134.6	0	0	0	114.3	I6	I6-L10 HydrophobicContact CG2-CD1 4.07Å; I6-L10 PolarHBondContact O-N 3.15Å; I6-L10 VanDerWaalsContact O-N 3.13Å
11	L	33.8	Very low	39.2	Very low	130 Å²	130	130.7 Å²	130.7	68%	0.681	70%	0.7	S	S	*	*	H	α-helix	trans	-86.9	-19.8	173.9	-103.2	116.1	0	0	0	113.8	Q7 L8 M9	Q7-L11 PolarHBondContact O-N 2.94Å; L8-L11 PolarHBondContact O-N 3.02Å; M9-L11 VanDerWaalsContact C-N 3.35Å; M9-L11 PolarHBondContact O-N 3.12Å
12	V	35.8	Very low	38.3	Very low	102 Å²	102	131.4 Å²	131.4	62%	0.618	69%	0.688	S	S	*	*	H	α-helix	trans	-84.3	-22.7	174.6	177.9	0	0	0	0	111.8	L8 M9 L14	L8-V12 PolarHBondContact O-N 2.79Å; M9-V12 PolarHBondContact O-N 3.1Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 2.98Å
13	F	33.4	Very low	37.7	Very low	180 Å²	180	131.6 Å²	131.6	79%	0.789	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-0.3	172.3	-88.8	-81.5	0	0	0	115	M9	M9-F13 WeakPolarHBondContact O-CD2 3.16Å; M9-F13 PolarHBondContact O-N 2.94Å
14	L	32.3	Very low	37.1	Very low	145 Å²	145	133 Å²	133	76%	0.759	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	9.5	175.7	-79.6	166.4	0	0	0	114	V12	V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 2.98Å
15	T	32.7	Very low	36.5	Very low	105 Å²	105	136.2 Å²	136.2	64%	0.644	70%	0.699	S	S	*	*			trans	-120.8	84.1	170.4	52.3	0	0	0	0	109.8	P17	T15-P17 WeakPolarHBondContact O-CD 3.41Å
16	N	30.8	Very low	35.8	Very low	116 Å²	116	139 Å²	139	62%	0.62	72%	0.716	S	S	*	*			trans	-67	118.4	165.2	-140.7	-12	0	0	0	107	N18	N16-N18 PolarHBondContact O-N 3.32Å; N16-N18 VanDerWaalsContact O-N 3.16Å
17	P	33.7	Very low	35.3	Very low	115 Å²	115	142 Å²	142	75%	0.747	72%	0.719	S	S	*	*	S	Bend	trans	-71.6	-2.3	174	27.7	-28.4	0	0	0	112.2	T15 H19	T15-P17 WeakPolarHBondContact O-CD 3.41Å; P17-H19 VanDerWaalsContact C-N 3.25Å; P17-H19 PolarHBondContact O-N 2.9Å
18	N	32.2	Very low	35.2	Very low	132 Å²	132	140.5 Å²	140.5	71%	0.706	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	30.8	178.9	-69.7	-12.2	0	0	0	114.3	N16	N16-N18 PolarHBondContact O-N 3.32Å; N16-N18 VanDerWaalsContact O-N 3.16Å
19	H	33.6	Very low	35.5	Very low	149 Å²	149	136.9 Å²	136.9	69%	0.69	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.1	30.1	179	-104.8	66.8	0	0	0	114.3	P17	P17-H19 VanDerWaalsContact C-N 3.25Å; P17-H19 PolarHBondContact O-N 2.9Å
20	A	35.3	Very low	35.9	Very low	89 Å²	89	135 Å²	135	74%	0.736	70%	0.695	S	S	*	*	S	Bend	trans	-126.7	66.2	166.7	0	0	0	0	0	110.2
21	E	35	Very low	36.2	Very low	195 Å²	195	134.7 Å²	134.7	91%	0.911	69%	0.694	S	S	*	*			trans	178.9	78.1	151.6	-104.1	171.2	-167.2	0	0	108.2
22	K	35.8	Very low	36.7	Very low	184 Å²	184	133.9 Å²	133.9	80%	0.8	69%	0.688	S	S	*	*			trans	-142.9	39.5	176.5	-120.1	-174	-175.2	-176.3	0	112.1
23	L	32.9	Very low	37	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	70%	0.701	S	S	*	*	S	Bend	trans	-137.2	5.9	-177	-104.6	149.2	0	0	0	115.8
24	F	31.7	Very low	37.7	Very low	178 Å²	178	133 Å²	133	78%	0.781	68%	0.681	S	S	*	*	S	Bend	trans	-146.8	52.1	178.7	-75	-76.1	0	0	0	114.8
25	H	37.4	Very low	38.4	Very low	168 Å²	168	129.9 Å²	129.9	78%	0.778	67%	0.669	S	S	*	*	S	Bend	trans	-147.6	42.3	165.7	-80.2	-55.8	0	0	0	112.8
26	N	36	Very low	39.3	Very low	159 Å²	159	130.8 Å²	130.8	85%	0.85	68%	0.675	S	S	*	*			trans	-144.1	55.6	170	-135.7	3.1	0	0	0	109.9
27	R	38.3	Very low	40.2	Very low	171 Å²	171	129.9 Å²	129.9	65%	0.645	68%	0.677	S	S	*	*			trans	-95.6	113.8	161.5	-74.4	-177.8	100.2	154.9	2	106.1	H29	R27-H29 VanDerWaalsContact C-N 3.34Å; R27-H29 PolarHBondContact O-CD2 3.46Å; R27-H29 VanDerWaalsContact O-CD2 3.24Å; R27-H29 PolarHBondContact O-N 3.27Å
28	D	42	Very low	41.5	Very low	114 Å²	114	128.4 Å²	128.4	61%	0.61	66%	0.661	S	S	*	*			trans	-54.6	106.4	153.5	174.9	-0.4	0	0	0	106.2	S30	D28-S30 PolarHBondContact O-N 2.87Å; D28-S30 WeakPolarHBondContact OD1-CB 3.44Å; D28-S30 PolarHBondContact OD1-N 3.45Å; D28-S30 PolarHBondContact OD1-OG 2.9Å; D28-S30 PolarHBondContact OD2-OG 3.45Å
29	H	46.5	Very low	43.6	Very low	53 Å²	53	127.7 Å²	127.7	25%	0.245	65%	0.653	C	S	.	*	G	3₁₀ helix	trans	-79.7	14.3	-177.3	-75	-65.4	0	0	0	112.7	R27 D31 M32	R27-H29 VanDerWaalsContact C-N 3.34Å; R27-H29 PolarHBondContact O-CD2 3.46Å; R27-H29 VanDerWaalsContact O-CD2 3.24Å; R27-H29 PolarHBondContact O-N 3.27Å; H29-D31 PolarHBondContact O-N 3.06Å; H29-M32 HydrophobicContact CB-CE 3.96Å; H29-M32 HydrophobicContact CB-CG 4.31Å; H29-M32 WeakPolarHBondContact CE1-CE 3.45Å; H29-M32 VanDerWaalsContact CG-CE 3.48Å; H29-M32 WeakPolarHBondContact ND1-CE 3.37Å; H29-M32 WeakPolarHBondContact ND1-CG 3.24Å; H29-M32 PolarHBondContact ND1-SD 3.37Å; H29-M32 PolarHBondContact O-N 3.45Å
30	S	48.3	Very low	45.7	Very low	83 Å²	83	120.9 Å²	120.9	58%	0.58	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-55.2	-16.7	171.2	54.1	0	0	0	0	113.9	D28	D28-S30 PolarHBondContact O-N 2.87Å; D28-S30 WeakPolarHBondContact OD1-CB 3.44Å; D28-S30 PolarHBondContact OD1-N 3.45Å; D28-S30 PolarHBondContact OD1-OG 2.9Å; D28-S30 PolarHBondContact OD2-OG 3.45Å
31	D	42	Very low	48	Very low	107 Å²	107	120.9 Å²	120.9	57%	0.572	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-101.8	-0.9	179.1	68.2	-15.6	0	0	0	114.8	H29 Q33	H29-D31 PolarHBondContact O-N 3.06Å; D31-Q33 PolarHBondContact O-N 3.46Å
32	M	44.3	Very low	50.4	Low	112 Å²	112	115.9 Å²	115.9	55%	0.552	60%	0.598	S	S	*	*			trans	-79.9	114	175.8	-70.2	-150	-58.3	0	0	111.3	H29 I34	H29-M32 HydrophobicContact CB-CE 3.96Å; H29-M32 HydrophobicContact CB-CG 4.31Å; H29-M32 WeakPolarHBondContact CE1-CE 3.45Å; H29-M32 VanDerWaalsContact CG-CE 3.48Å; H29-M32 WeakPolarHBondContact ND1-CE 3.37Å; H29-M32 WeakPolarHBondContact ND1-CG 3.24Å; H29-M32 PolarHBondContact ND1-SD 3.37Å; H29-M32 PolarHBondContact O-N 3.45Å; M32-I34 PolarHBondContact O-N 3.39Å
33	Q	43.1	Very low	52.9	Low	192 Å²	192	107.4 Å²	107.4	90%	0.897	56%	0.561	S	S	*	*			trans	-64.2	107	163.1	-78.9	179.7	-29.2	0	0	108.6	D31	D31-Q33 PolarHBondContact O-N 3.46Å
34	I	48.6	Very low	55.7	Low	72 Å²	72	104.2 Å²	104.2	37%	0.369	55%	0.548	S	S	.	.			trans	-56.3	125	174.2	-60.2	167.4	0	0	0	107.9	M32 T36 T295	M32-I34 PolarHBondContact O-N 3.39Å; I34-T36 PolarHBondContact O-N 3.39Å; I34-T295 HydrophobicContact CD1-CG2 3.93Å
35	P	46.5	Very low	58.6	Low	79 Å²	79	99.2 Å²	99.2	51%	0.513	53%	0.529	S	S	.	.			trans	-55.4	130.7	176.7	-22	31.3	0	0	0	110.2	S37 H38	P35-S37 PolarHBondContact O-N 2.8Å; P35-H38 PolarHBondContact O-N 2.78Å
36	T	50.6	Low	61.1	Low	124 Å²	124	96.3 Å²	96.3	76%	0.761	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-59	-13.1	179.6	48.8	0	0	0	0	113.8	I34 H38	I34-T36 PolarHBondContact O-N 3.39Å; T36-H38 VanDerWaalsContact C-N 3.29Å; T36-H38 PolarHBondContact O-N 2.8Å
37	S	49.6	Very low	63.6	Low	97 Å²	97	96 Å²	96	68%	0.678	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-77.1	-7.7	175.9	61.6	0	0	0	0	114.9	P35	P35-S37 PolarHBondContact O-N 2.8Å
38	H	62.8	Low	66	Low	85 Å²	85	90.7 Å²	90.7	39%	0.394	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-117.9	12.7	-178.7	-75.3	-93.7	0	0	0	113.6	P35 T36 G294 T295 D313	P35-H38 PolarHBondContact O-N 2.78Å; T36-H38 VanDerWaalsContact C-N 3.29Å; T36-H38 PolarHBondContact O-N 2.8Å; H38-G294 CarbonylContact O-C 3.57Å; H38-G294 VanDerWaalsContact O-CA 3.29Å; H38-G294 WeakPolarHBondContact O-CA 3.09Å; H38-T295 PolarHBondContact O-N 2.84Å; H38-D313 IonicContact ND1-OD1 3.64Å; H38-D313 PolarHBondContact ND1-OD1 3.1Å; H38-D313 IonicContact ND1-OD2 3.43Å
39	Q	75.2	Confident	68.4	Low	116 Å²	116	85.2 Å²	85.2	54%	0.542	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-84.6	137.3	174.7	-74	-178.5	-18.2	0	0	111.2
40	A	78.6	Confident	70.5	Confident	7 Å²	7	84.3 Å²	84.3	6%	0.058	45%	0.453	C	S	.	.			trans	-63	139.1	175.3	0	0	0	0	0	110.8	V42 D293 T295 Q297	A40-V42 PolarHBondContact O-N 3.1Å; A40-V42 VanDerWaalsContact O-N 3.15Å; A40-D293 VanDerWaalsContact CA-O 3.31Å; A40-D293 WeakPolarHBondContact CA-O 3.34Å; A40-D293 HydrophobicContact CB-CB 4.14Å; A40-T295 WeakPolarHBondContact CB-O 3.31Å; A40-T295 PolarHBondContact N-O 3.15Å; A40-Q297 HydrophobicContact CB-CB 3.79Å; A40-Q297 HydrophobicContact CB-CG 3.86Å; A40-Q297 VanDerWaalsContact CB-NE2 3.31Å
41	P	82.2	Confident	72.4	Confident	89 Å²	89	84.6 Å²	84.6	58%	0.578	45%	0.448	S	S	*	.			trans	-63.8	114.8	-177.9	-18.7	30.3	0	0	0	112	I43 Q297	P41-I43 PolarHBondContact O-N 2.89Å; P41-Q297 VanDerWaalsContact C-NE2 3.34Å; P41-Q297 PolarHBondContact O-NE2 3.39Å
42	V	86.7	Confident	74.7	Confident	90 Å²	90	80.1 Å²	80.1	55%	0.545	42%	0.423	S	S	.	.			trans	-62.9	133	-179.4	-175	0	0	0	0	110.2	A40 T44 N146	A40-V42 PolarHBondContact O-N 3.1Å; A40-V42 VanDerWaalsContact O-N 3.15Å; V42-T44 HydrophobicContact CB-CG2 4.43Å; V42-T44 HydrophobicContact CG1-CG2 4.26Å; V42-T44 PolarHBondContact O-N 3.49Å; V42-N146 WeakPolarHBondContact CG1-OD1 3.24Å
43	I	88.4	Confident	76.9	Confident	6 Å²	6	74.8 Å²	74.8	3%	0.031	40%	0.397	C	S	.	.			trans	-73.3	112.1	175.7	-57.6	167.2	0	0	0	108.3	P41 E48 A49 F52 F137 K142 M145 N146	P41-I43 PolarHBondContact O-N 2.89Å; I43-E48 WeakPolarHBondContact CA-OE2 3.23Å; I43-E48 HydrophobicContact CB-CB 4.42Å; I43-E48 HydrophobicContact CG2-CB 3.87Å; I43-A49 HydrophobicContact CG2-CB 4.19Å; I43-F52 HydrophobicContact CD1-CB 3.85Å; I43-F52 HydrophobicContact CD1-CD2 3.47Å; I43-F52 VanDerWaalsContact CD1-CD2 3.47Å; I43-F52 HydrophobicContact CD1-CE2 4.21Å; I43-F52 HydrophobicContact CD1-CG 3.86Å; I43-F137 HydrophobicContact CG2-CE2 4.39Å; I43-F137 HydrophobicContact CG2-CZ 3.92Å; I43-K142 WeakPolarHBondContact O-CG 3.36Å; I43-M145 HydrophobicContact CD1-CB 3.84Å; I43-N146 PolarHBondContact N-OD1 3.24Å; I43-N146 PolarHBondContact O-ND2 3.19Å
44	T	91.3	Very high	79.1	Confident	87 Å²	87	68 Å²	68	53%	0.534	37%	0.371	S	S	.	.			trans	-117.2	-24.9	-174.5	56.7	0	0	0	0	113.6	V42 E48	V42-T44 HydrophobicContact CB-CG2 4.43Å; V42-T44 HydrophobicContact CG1-CG2 4.26Å; V42-T44 PolarHBondContact O-N 3.49Å; T44-E48 PolarHBondContact N-OE2 2.77Å; T44-E48 PolarHBondContact OG1-OE2 2.81Å; T44-E48 VanDerWaalsContact OG1-OE2 3.05Å
45	D	91.4	Very high	80.9	Confident	72 Å²	72	70 Å²	70	39%	0.385	37%	0.374	S	S	.	.	S	Bend	trans	-130.8	171.5	-176	68.9	47	0	0	0	114	Y47 E48 A49	D45-Y47 VanDerWaalsContact C-N 3.27Å; D45-Y47 PolarHBondContact O-N 3.13Å; D45-Y47 WeakPolarHBondContact OD1-CA 3.22Å; D45-Y47 WeakPolarHBondContact OD1-CB 3.16Å; D45-Y47 PolarHBondContact OD1-N 3.49Å; D45-E48 PolarHBondContact O-N 3.46Å; D45-E48 PolarHBondContact OD1-N 3.31Å; D45-A49 WeakPolarHBondContact O-CB 3.38Å; D45-A49 PolarHBondContact O-N 3.43Å
46	E	90.1	Very high	82.9	Confident	108 Å²	108	66.3 Å²	66.3	51%	0.505	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-26.3	-178	-68.2	-173.9	172.4	0	0	113.5	E50 F118 F137	E46-E50 WeakPolarHBondContact O-CB 3.37Å; E46-E50 PolarHBondContact O-N 2.73Å; E46-F118 HydrophobicContact CB-CE1 4.49Å; E46-F118 HydrophobicContact CB-CZ 4.15Å; E46-F118 HydrophobicContact CG-CZ 4.39Å; E46-F137 HydrophobicContact CG-CB 4.1Å; E46-F137 HydrophobicContact CG-CD1 4.1Å; E46-F137 HydrophobicContact CG-CG 4.42Å
47	Y	88.8	Confident	84.6	Confident	152 Å²	152	60.5 Å²	60.5	60%	0.596	31%	0.314	S	S	*	.	H	α-helix	trans	-72.2	-44.9	178.5	171.2	-98.1	0	0	0	110.3	D45 A49 E50 L51	D45-Y47 VanDerWaalsContact C-N 3.27Å; D45-Y47 PolarHBondContact O-N 3.13Å; D45-Y47 WeakPolarHBondContact OD1-CA 3.22Å; D45-Y47 WeakPolarHBondContact OD1-CB 3.16Å; D45-Y47 PolarHBondContact OD1-N 3.49Å; Y47-A49 VanDerWaalsContact C-N 3.31Å; Y47-A49 PolarHBondContact O-N 3.42Å; Y47-E50 WeakPolarHBondContact O-CB 3.24Å; Y47-E50 PolarHBondContact O-N 3.47Å; Y47-L51 HydrophobicContact CD1-CD1 4.3Å; Y47-L51 HydrophobicContact CD2-CD1 4.26Å; Y47-L51 HydrophobicContact CE1-CD1 3.84Å; Y47-L51 HydrophobicContact CE2-CD1 3.8Å; Y47-L51 HydrophobicContact CG-CD1 4.49Å; Y47-L51 WeakPolarHBondContact O-CD1 3.13Å; Y47-L51 PolarHBondContact O-N 3.2Å
48	E	89.8	Confident	86.4	Confident	59 Å²	59	56.5 Å²	56.5	28%	0.276	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-38.8	173.2	-66.8	179.8	148.8	0	0	111.5	I43 T44 D45 E50 L51 F52	I43-E48 WeakPolarHBondContact CA-OE2 3.23Å; I43-E48 HydrophobicContact CB-CB 4.42Å; I43-E48 HydrophobicContact CG2-CB 3.87Å; T44-E48 PolarHBondContact N-OE2 2.77Å; T44-E48 PolarHBondContact OG1-OE2 2.81Å; T44-E48 VanDerWaalsContact OG1-OE2 3.05Å; D45-E48 PolarHBondContact O-N 3.46Å; D45-E48 PolarHBondContact OD1-N 3.31Å; E48-E50 VanDerWaalsContact C-N 3.33Å; E48-E50 PolarHBondContact O-N 2.92Å; E48-L51 WeakPolarHBondContact O-CB 3.23Å; E48-L51 PolarHBondContact O-N 3.11Å; E48-F52 PolarHBondContact O-N 3.28Å
49	A	90.8	Very high	87.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-38.1	174.1	0	0	0	0	0	112.2	I43 D45 Y47 F52 L53 F118 F137 M145	I43-A49 HydrophobicContact CG2-CB 4.19Å; D45-A49 WeakPolarHBondContact O-CB 3.38Å; D45-A49 PolarHBondContact O-N 3.43Å; Y47-A49 VanDerWaalsContact C-N 3.31Å; Y47-A49 PolarHBondContact O-N 3.42Å; A49-F52 WeakPolarHBondContact O-CB 3.41Å; A49-F52 PolarHBondContact O-N 3.08Å; A49-L53 WeakPolarHBondContact O-CB 3.26Å; A49-L53 VanDerWaalsContact O-CG 3.26Å; A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 3.11Å; A49-F118 HydrophobicContact CB-CE2 4.24Å; A49-F118 HydrophobicContact CB-CZ 4.36Å; A49-F137 HydrophobicContact CB-CD2 3.89Å; A49-F137 HydrophobicContact CB-CE2 3.71Å; A49-F137 HydrophobicContact CB-CG 4.4Å; A49-F137 HydrophobicContact CB-CZ 4.06Å; A49-M145 HydrophobicContact CB-CE 4.44Å; A49-M145 HydrophobicContact CB-SD 3.86Å
50	E	90.6	Very high	87.7	Confident	33 Å²	33	56.5 Å²	56.5	15%	0.154	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-39.1	175.6	-175.2	172	-145.7	0	0	112.1	E46 Y47 E48 L53 S54 I59 K110 F118	E46-E50 WeakPolarHBondContact O-CB 3.37Å; E46-E50 PolarHBondContact O-N 2.73Å; Y47-E50 WeakPolarHBondContact O-CB 3.24Å; Y47-E50 PolarHBondContact O-N 3.47Å; E48-E50 VanDerWaalsContact C-N 3.33Å; E48-E50 PolarHBondContact O-N 2.92Å; E50-L53 PolarHBondContact O-N 3.16Å; E50-S54 VanDerWaalsContact O-CB 3.32Å; E50-S54 WeakPolarHBondContact O-CB 3.4Å; E50-S54 PolarHBondContact O-N 2.85Å; E50-S54 PolarHBondContact O-OG 2.77Å; E50-I59 HydrophobicContact CG-CD1 3.71Å; E50-K110 VanDerWaalsContact CD-NZ 3.28Å; E50-K110 IonicContact OE1-NZ 3.72Å; E50-K110 PolarHBondContact OE1-NZ 2.82Å; E50-K110 WeakPolarHBondContact OE2-CE 3.37Å; E50-K110 IonicContact OE2-NZ 2.99Å; E50-K110 PolarHBondContact OE2-NZ 3.48Å; E50-F118 HydrophobicContact CB-CD2 3.77Å; E50-F118 HydrophobicContact CB-CE2 3.87Å; E50-F118 HydrophobicContact CG-CD2 4.03Å
51	L	88.8	Confident	87	Confident	90 Å²	90	59.5 Å²	59.5	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-44.1	172.3	-98.4	73.8	0	0	0	111.3	Y47 E48 S54 R55	Y47-L51 HydrophobicContact CD1-CD1 4.3Å; Y47-L51 HydrophobicContact CD2-CD1 4.26Å; Y47-L51 HydrophobicContact CE1-CD1 3.84Å; Y47-L51 HydrophobicContact CE2-CD1 3.8Å; Y47-L51 HydrophobicContact CG-CD1 4.49Å; Y47-L51 WeakPolarHBondContact O-CD1 3.13Å; Y47-L51 PolarHBondContact O-N 3.2Å; E48-L51 WeakPolarHBondContact O-CB 3.23Å; E48-L51 PolarHBondContact O-N 3.11Å; L51-S54 PolarHBondContact O-N 3.15Å; L51-R55 WeakPolarHBondContact O-CB 3.34Å; L51-R55 PolarHBondContact O-N 2.82Å
52	F	90.3	Very high	85.9	Confident	12 Å²	12	57 Å²	57	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-52.6	175.4	175	-85	0	0	0	111.5	I43 E48 A49 S54 R55 Y56 F125 M145 R149	I43-F52 HydrophobicContact CD1-CB 3.85Å; I43-F52 HydrophobicContact CD1-CD2 3.47Å; I43-F52 VanDerWaalsContact CD1-CD2 3.47Å; I43-F52 HydrophobicContact CD1-CE2 4.21Å; I43-F52 HydrophobicContact CD1-CG 3.86Å; E48-F52 PolarHBondContact O-N 3.28Å; A49-F52 WeakPolarHBondContact O-CB 3.41Å; A49-F52 PolarHBondContact O-N 3.08Å; F52-S54 PolarHBondContact O-N 2.72Å; F52-R55 PolarHBondContact O-N 2.99Å; F52-R55 VanDerWaalsContact O-N 3.15Å; F52-Y56 HydrophobicContact CD1-CD2 4.11Å; F52-Y56 AromaticContact CD2-CD2 3.8Å; F52-Y56 HydrophobicContact CD2-CD2 3.8Å; F52-Y56 AromaticContact CD2-CE2 3.52Å; F52-Y56 HydrophobicContact CD2-CE2 3.52Å; F52-Y56 AromaticContact CE1-CD2 4Å; F52-Y56 HydrophobicContact CE1-CD2 4Å; F52-Y56 HydrophobicContact CE1-CE2 4.49Å; F52-Y56 AromaticContact CE2-CD2 3.72Å; F52-Y56 HydrophobicContact CE2-CD2 3.72Å; F52-Y56 AromaticContact CE2-CE2 3.38Å; F52-Y56 HydrophobicContact CE2-CE2 3.38Å; F52-Y56 HydrophobicContact CG-CD2 4.02Å; F52-Y56 HydrophobicContact CG-CE2 4.19Å; F52-Y56 AromaticContact CZ-CD2 3.82Å; F52-Y56 HydrophobicContact CZ-CD2 3.82Å; F52-Y56 AromaticContact CZ-CE2 3.91Å; F52-Y56 HydrophobicContact CZ-CE2 3.91Å; F52-Y56 VanDerWaalsContact O-CD2 3.26Å; F52-Y56 WeakPolarHBondContact O-CD2 3.09Å; F52-Y56 PolarHBondContact O-N 2.87Å; F52-Y56 VanDerWaalsContact O-N 3.08Å; F52-F125 AromaticContact CE1-CD2 3.98Å; F52-F125 HydrophobicContact CE1-CD2 3.98Å; F52-F125 AromaticContact CE1-CE2 3.61Å; F52-F125 HydrophobicContact CE1-CE2 3.61Å; F52-F125 HydrophobicContact CE1-CZ 4.09Å; F52-F125 AromaticContact CZ-CE2 3.94Å; F52-F125 HydrophobicContact CZ-CE2 3.94Å; F52-F125 HydrophobicContact CZ-CZ 4.3Å; F52-M145 HydrophobicContact CD1-CB 4.45Å; F52-M145 HydrophobicContact CD1-CE 4.02Å; F52-M145 HydrophobicContact CD1-CG 3.95Å; F52-M145 HydrophobicContact CD1-SD 3.99Å; F52-M145 HydrophobicContact CD2-CB 4.5Å; F52-M145 HydrophobicContact CE1-CB 4.27Å; F52-M145 HydrophobicContact CE1-CE 4.3Å; F52-M145 HydrophobicContact CE1-CG 3.77Å; F52-M145 HydrophobicContact CE1-SD 4.38Å; F52-M145 HydrophobicContact CE2-CB 4.28Å; F52-M145 WeakPolarHBondContact CE2-O 3.28Å; F52-M145 HydrophobicContact CG-CG 4.5Å; F52-M145 HydrophobicContact CG-SD 4.45Å; F52-M145 HydrophobicContact CZ-CB 4.16Å; F52-M145 HydrophobicContact CZ-CG 4.12Å; F52-R149 VanDerWaalsContact CZ-NH1 3.26Å
53	L	91.3	Very high	84.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-33.8	179.6	-70.1	171.9	0	0	0	111.9	A49 E50 G57 F58 I59 F118 A121 L122 F125 M145	A49-L53 WeakPolarHBondContact O-CB 3.26Å; A49-L53 VanDerWaalsContact O-CG 3.26Å; A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 3.11Å; E50-L53 PolarHBondContact O-N 3.16Å; L53-G57 PolarHBondContact O-N 3.05Å; L53-F58 HydrophobicContact CB-CB 4.18Å; L53-F58 HydrophobicContact CD2-CB 3.94Å; L53-F58 HydrophobicContact CD2-CD2 3.89Å; L53-F58 HydrophobicContact CD2-CG 3.96Å; L53-F58 WeakPolarHBondContact O-CB 3.25Å; L53-F58 PolarHBondContact O-N 3.16Å; L53-I59 HydrophobicContact CB-CD1 3.77Å; L53-I59 HydrophobicContact CB-CG1 4.03Å; L53-F118 HydrophobicContact CD1-CD2 3.91Å; L53-F118 HydrophobicContact CD1-CE2 3.78Å; L53-A121 HydrophobicContact CB-CB 4.4Å; L53-A121 HydrophobicContact CD1-CB 3.98Å; L53-A121 HydrophobicContact CD2-CB 4.49Å; L53-L122 HydrophobicContact CD1-CB 4.21Å; L53-L122 HydrophobicContact CD1-CD1 4.01Å; L53-F125 HydrophobicContact CD2-CB 3.71Å; L53-F125 HydrophobicContact CD2-CG 4.13Å; L53-M145 HydrophobicContact CD1-CE 4.21Å; L53-M145 HydrophobicContact CD2-CE 3.73Å; L53-M145 HydrophobicContact CG-CE 3.88Å
54	S	88.9	Confident	82.7	Confident	49 Å²	49	59.2 Å²	59.2	34%	0.343	29%	0.288	S	S	.	.	H	α-helix	trans	-70.6	-45.4	174.7	-61.2	0	0	0	0	112.1	E50 L51 F52 Y56 G57 I59	E50-S54 VanDerWaalsContact O-CB 3.32Å; E50-S54 WeakPolarHBondContact O-CB 3.4Å; E50-S54 PolarHBondContact O-N 2.85Å; E50-S54 PolarHBondContact O-OG 2.77Å; L51-S54 PolarHBondContact O-N 3.15Å; F52-S54 PolarHBondContact O-N 2.72Å; S54-Y56 VanDerWaalsContact C-N 3.28Å; S54-Y56 PolarHBondContact O-N 2.7Å; S54-G57 PolarHBondContact O-N 3.37Å; S54-G57 VanDerWaalsContact O-N 3.16Å; S54-I59 WeakPolarHBondContact OG-CD1 3.31Å
55	R	85.8	Confident	80.3	Confident	115 Å²	115	61.2 Å²	61.2	43%	0.434	29%	0.291	S	S	.	.	H	α-helix	trans	-56.3	-44.4	178.7	179.6	-175.9	-76.3	-175.7	2	111.1	L51 F52 G57 D293 E298	L51-R55 WeakPolarHBondContact O-CB 3.34Å; L51-R55 PolarHBondContact O-N 2.82Å; F52-R55 PolarHBondContact O-N 2.99Å; F52-R55 VanDerWaalsContact O-N 3.15Å; R55-G57 VanDerWaalsContact C-N 3.33Å; R55-D293 IonicContact NH1-OD2 2.72Å; R55-D293 PolarHBondContact NH1-OD2 2.97Å; R55-D293 VanDerWaalsContact NH1-OD2 3.13Å; R55-E298 IonicContact NH1-OE2 3.04Å
56	Y	89.1	Confident	77.7	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.008	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	6.3	-177.6	-64.3	-70.5	0	0	0	114.3	F52 S54 R149 C150 D154 K155	F52-Y56 HydrophobicContact CD1-CD2 4.11Å; F52-Y56 AromaticContact CD2-CD2 3.8Å; F52-Y56 HydrophobicContact CD2-CD2 3.8Å; F52-Y56 AromaticContact CD2-CE2 3.52Å; F52-Y56 HydrophobicContact CD2-CE2 3.52Å; F52-Y56 AromaticContact CE1-CD2 4Å; F52-Y56 HydrophobicContact CE1-CD2 4Å; F52-Y56 HydrophobicContact CE1-CE2 4.49Å; F52-Y56 AromaticContact CE2-CD2 3.72Å; F52-Y56 HydrophobicContact CE2-CD2 3.72Å; F52-Y56 AromaticContact CE2-CE2 3.38Å; F52-Y56 HydrophobicContact CE2-CE2 3.38Å; F52-Y56 HydrophobicContact CG-CD2 4.02Å; F52-Y56 HydrophobicContact CG-CE2 4.19Å; F52-Y56 AromaticContact CZ-CD2 3.82Å; F52-Y56 HydrophobicContact CZ-CD2 3.82Å; F52-Y56 AromaticContact CZ-CE2 3.91Å; F52-Y56 HydrophobicContact CZ-CE2 3.91Å; F52-Y56 VanDerWaalsContact O-CD2 3.26Å; F52-Y56 WeakPolarHBondContact O-CD2 3.09Å; F52-Y56 PolarHBondContact O-N 2.87Å; F52-Y56 VanDerWaalsContact O-N 3.08Å; S54-Y56 VanDerWaalsContact C-N 3.28Å; S54-Y56 PolarHBondContact O-N 2.7Å; Y56-R149 VanDerWaalsContact CD1-NH2 3.28Å; Y56-R149 VanDerWaalsContact CE1-CZ 3.41Å; Y56-R149 VanDerWaalsContact CG-CZ 3.49Å; Y56-R149 VanDerWaalsContact CG-NH1 3.33Å; Y56-R149 VanDerWaalsContact CZ-CD 3.47Å; Y56-R149 VanDerWaalsContact CZ-NE 3.26Å; Y56-R149 WeakPolarHBondContact OH-CD 3.27Å; Y56-C150 VanDerWaalsContact CE1-O 3.3Å; Y56-C150 WeakPolarHBondContact CE1-O 3.31Å; Y56-D154 WeakPolarHBondContact O-CB 3.18Å; Y56-D154 PolarHBondContact O-N 3.29Å; Y56-K155 PolarHBondContact O-N 3.4Å
57	G	86.5	Confident	75.2	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.01	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	7.8	168.7	0	0	0	0	0	116.3	L53 S54 R55 K60 K155	L53-G57 PolarHBondContact O-N 3.05Å; S54-G57 PolarHBondContact O-N 3.37Å; S54-G57 VanDerWaalsContact O-N 3.16Å; R55-G57 VanDerWaalsContact C-N 3.33Å; G57-K60 CarbonylContact C-O 3.39Å; G57-K60 VanDerWaalsContact CA-O 3.3Å; G57-K60 WeakPolarHBondContact CA-O 3.49Å; G57-K60 CarbonylContact O-C 3.52Å; G57-K155 WeakPolarHBondContact O-CD 3.38Å
58	F	88	Confident	72.7	Confident	13 Å²	13	60.3 Å²	60.3	6%	0.057	29%	0.291	C	S	.	.	S	Bend	trans	-69.4	-30.6	179.3	-70	-85.8	0	0	0	113.6	L53 A121 E124 F125 V128 D154 Y345	L53-F58 HydrophobicContact CB-CB 4.18Å; L53-F58 HydrophobicContact CD2-CB 3.94Å; L53-F58 HydrophobicContact CD2-CD2 3.89Å; L53-F58 HydrophobicContact CD2-CG 3.96Å; L53-F58 WeakPolarHBondContact O-CB 3.25Å; L53-F58 PolarHBondContact O-N 3.16Å; F58-A121 HydrophobicContact CB-CB 3.8Å; F58-E124 HydrophobicContact CD1-CB 4.38Å; F58-E124 HydrophobicContact CD1-CG 4.22Å; F58-E124 HydrophobicContact CE1-CG 4.31Å; F58-F125 HydrophobicContact CD1-CB 4.41Å; F58-F125 HydrophobicContact CE1-CB 4.22Å; F58-F125 AromaticContact CE2-CD2 3.96Å; F58-F125 HydrophobicContact CE2-CD2 3.96Å; F58-F125 HydrophobicContact CZ-CB 4.33Å; F58-F125 AromaticContact CZ-CD2 3.91Å; F58-F125 HydrophobicContact CZ-CD2 3.91Å; F58-V128 HydrophobicContact CE1-CG2 4.06Å; F58-V128 HydrophobicContact CZ-CG2 4.09Å; F58-D154 HydrophobicContact CE2-CB 4.05Å; F58-D154 WeakPolarHBondContact CE2-OD2 3.3Å; F58-D154 HydrophobicContact CZ-CB 4.01Å; F58-D154 WeakPolarHBondContact CZ-OD2 3.39Å; F58-Y345 WeakPolarHBondContact CZ-OH 3.28Å
59	I	85.8	Confident	69.7	Low	43 Å²	43	64.3 Å²	64.3	22%	0.221	31%	0.312	C	S	.	.	S	Bend	trans	-88.9	-48.4	179.1	-68.4	166.5	0	0	0	111.5	E50 L53 S54 A121	E50-I59 HydrophobicContact CG-CD1 3.71Å; L53-I59 HydrophobicContact CB-CD1 3.77Å; L53-I59 HydrophobicContact CB-CG1 4.03Å; S54-I59 WeakPolarHBondContact OG-CD1 3.31Å; I59-A121 HydrophobicContact CG1-CB 3.56Å
60	K	78	Confident	66.7	Low	158 Å²	158	71.7 Å²	71.7	69%	0.687	34%	0.344	S	S	*	.	S	Bend	trans	-134.6	133.9	173.3	-73.7	178.1	-175.5	175	0	108.2	G57 T62	G57-K60 CarbonylContact C-O 3.39Å; G57-K60 VanDerWaalsContact CA-O 3.3Å; G57-K60 WeakPolarHBondContact CA-O 3.49Å; G57-K60 CarbonylContact O-C 3.52Å; K60-T62 PolarHBondContact O-N 2.97Å
61	P	63.8	Low	63.9	Low	71 Å²	71	78.6 Å²	78.6	46%	0.461	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-57.9	136.9	174.6	-19.2	30	0	0	0	110.1	T157	P61-T157 HydrophobicContact CB-CG2 3.4Å; P61-T157 VanDerWaalsContact CB-CG2 3.4Å; P61-T157 HydrophobicContact CG-CG2 3.83Å
62	T	60.8	Low	60.9	Low	36 Å²	36	78.8 Å²	78.8	22%	0.221	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-95.8	136.4	-179.7	44.9	0	0	0	0	110	K60 P153 K155	K60-T62 PolarHBondContact O-N 2.97Å; T62-P153 WeakPolarHBondContact OG1-CB 3.46Å; T62-P153 WeakPolarHBondContact OG1-CG 3.36Å; T62-K155 PolarHBondContact N-O 2.8Å; T62-K155 PolarHBondContact OG1-O 2.74Å
63	Q	53.5	Low	58	Low	93 Å²	93	81.7 Å²	81.7	44%	0.435	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-87.5	122.4	172.8	-75.5	-175	8.5	0	0	109.6	E65 E66 T157	Q63-E65 PolarHBondContact O-N 3.22Å; Q63-E65 VanDerWaalsContact O-N 3.15Å; Q63-E66 HydrophobicContact CB-CB 4.11Å; Q63-E66 HydrophobicContact CB-CG 4.25Å; Q63-E66 PolarHBondContact O-N 3.05Å; Q63-T157 VanDerWaalsContact CG-OG1 3.31Å; Q63-T157 WeakPolarHBondContact CG-OG1 3.46Å
64	R	52.9	Low	54.9	Low	50 Å²	50	88.3 Å²	88.3	19%	0.189	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.7	-173.9	-149.5	167.2	-174.5	173.7	-9	114.6	E156 A302 W303	R64-E156 VanDerWaalsContact CD-OE1 3.28Å; R64-E156 WeakPolarHBondContact CD-OE1 3.44Å; R64-E156 IonicContact CZ-OE1 2.82Å; R64-E156 IonicContact NE-OE1 3.63Å; R64-E156 PolarHBondContact NE-OE1 2.97Å; R64-E156 IonicContact NH1-OE1 3.03Å; R64-E156 PolarHBondContact NH1-OE1 3.03Å; R64-E156 IonicContact NH1-OE2 3.84Å; R64-A302 PolarHBondContact NH2-O 3.39Å; R64-W303 PolarHBondContact O-NE1 3.27Å
65	E	41.8	Very low	51.9	Low	128 Å²	128	91 Å²	91	60%	0.598	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-20.7	179.9	-62.9	-174.6	149.9	0	0	113.7	Q63 I67 Q68	Q63-E65 PolarHBondContact O-N 3.22Å; Q63-E65 VanDerWaalsContact O-N 3.15Å; E65-I67 PolarHBondContact O-N 2.84Å; E65-Q68 WeakPolarHBondContact O-CB 3.48Å; E65-Q68 PolarHBondContact O-N 3.36Å
66	E	35.8	Very low	48.9	Very low	76 Å²	76	95 Å²	95	36%	0.355	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-77.7	-16.9	-176.5	-90.6	-163.4	146.8	0	0	114.6	Q63 Q68 M69 K70	Q63-E66 HydrophobicContact CB-CB 4.11Å; Q63-E66 HydrophobicContact CB-CG 4.25Å; Q63-E66 PolarHBondContact O-N 3.05Å; E66-Q68 PolarHBondContact O-N 3.31Å; E66-Q68 VanDerWaalsContact O-N 3.11Å; E66-M69 PolarHBondContact O-N 2.73Å; E66-M69 VanDerWaalsContact O-N 3.08Å; E66-K70 PolarHBondContact O-N 3.17Å; E66-K70 IonicContact OE1-NZ 2.74Å; E66-K70 PolarHBondContact OE1-NZ 3.15Å; E66-K70 IonicContact OE2-NZ 3.96Å; E66-K70 PolarHBondContact OE2-NZ 3.46Å
67	I	39.1	Very low	46	Very low	74 Å²	74	99.5 Å²	99.5	38%	0.379	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-60.7	-22.4	172.9	-50.3	179.9	0	0	0	109.5	E65 N289	E65-I67 PolarHBondContact O-N 2.84Å; I67-N289 HydrophobicContact CG2-CB 4.48Å; I67-N289 WeakPolarHBondContact CG2-ND2 3.47Å; I67-N289 PolarHBondContact O-ND2 3.45Å
68	Q	34.7	Very low	43.3	Very low	164 Å²	164	107.4 Å²	107.4	77%	0.766	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-77.7	-18.1	178.8	-155	167.9	28.8	0	0	114	E65 E66 N289	E65-Q68 WeakPolarHBondContact O-CB 3.48Å; E65-Q68 PolarHBondContact O-N 3.36Å; E66-Q68 PolarHBondContact O-N 3.31Å; E66-Q68 VanDerWaalsContact O-N 3.11Å; Q68-N289 VanDerWaalsContact CA-ND2 3.34Å; Q68-N289 WeakPolarHBondContact CA-ND2 3.03Å; Q68-N289 PolarHBondContact N-ND2 3.15Å; Q68-N289 VanDerWaalsContact N-ND2 3.16Å
69	M	28.5	Very low	40.6	Very low	143 Å²	143	114 Å²	114	70%	0.704	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-25.8	-172.8	-75.5	-149.9	148.2	0	0	116.2	E66 Q71 S72	E66-M69 PolarHBondContact O-N 2.73Å; E66-M69 VanDerWaalsContact O-N 3.08Å; M69-Q71 VanDerWaalsContact C-N 3.26Å; M69-Q71 PolarHBondContact O-N 3.25Å; M69-Q71 VanDerWaalsContact O-N 3.11Å; M69-S72 PolarHBondContact O-N 2.89Å; M69-S72 PolarHBondContact O-OG 3.07Å
70	K	27.6	Very low	37.7	Very low	154 Å²	154	119.8 Å²	119.8	67%	0.67	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	13.3	-173.2	-88.8	176.2	-178.7	157.2	0	117.1	E66	E66-K70 PolarHBondContact O-N 3.17Å; E66-K70 IonicContact OE1-NZ 2.74Å; E66-K70 PolarHBondContact OE1-NZ 3.15Å; E66-K70 IonicContact OE2-NZ 3.96Å; E66-K70 PolarHBondContact OE2-NZ 3.46Å
71	Q	30.8	Very low	35.4	Very low	179 Å²	179	120.3 Å²	120.3	84%	0.836	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	3.9	164.8	-84.8	-176.3	-3.7	0	0	114.4	M69	M69-Q71 VanDerWaalsContact C-N 3.26Å; M69-Q71 PolarHBondContact O-N 3.25Å; M69-Q71 VanDerWaalsContact O-N 3.11Å
72	S	27.2	Very low	33.8	Very low	94 Å²	94	124.5 Å²	124.5	66%	0.657	65%	0.653	S	S	*	*	S	Bend	trans	-95.4	-1.1	174.5	64.8	0	0	0	0	114	M69 I74	M69-S72 PolarHBondContact O-N 2.89Å; M69-S72 PolarHBondContact O-OG 3.07Å; S72-I74 PolarHBondContact O-N 3.32Å
73	G	28.3	Very low	32.3	Very low	72 Å²	72	128.8 Å²	128.8	74%	0.742	68%	0.675	S	S	*	*			trans	-91.6	51.8	-177.3	0	0	0	0	0	114.8
74	I	27.2	Very low	31	Very low	139 Å²	139	133.7 Å²	133.7	71%	0.713	70%	0.695	S	S	*	*			trans	-94.9	103.5	148.8	-63.5	177	0	0	0	105	S72 F76	S72-I74 PolarHBondContact O-N 3.32Å; I74-F76 PolarHBondContact O-N 3.46Å
75	S	24.5	Very low	29.9	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	73%	0.729	S	S	*	*			trans	-54.3	103.8	169.2	167.5	0	0	0	0	109	S77	S75-S77 PolarHBondContact O-N 3Å; S75-S77 VanDerWaalsContact O-N 3.15Å
76	F	23.9	Very low	29.3	Very low	199 Å²	199	139.9 Å²	139.9	87%	0.873	73%	0.734	S	S	*	*			trans	-69.2	103.7	163.5	-82.7	-91.6	0	0	0	107.5	I74	I74-F76 PolarHBondContact O-N 3.46Å
77	S	28.1	Very low	28.8	Very low	95 Å²	95	141.1 Å²	141.1	66%	0.664	76%	0.757	S	S	*	*			trans	-79.5	135.2	163.1	54.5	0	0	0	0	109.1	S75 D79	S75-S77 PolarHBondContact O-N 3Å; S75-S77 VanDerWaalsContact O-N 3.15Å; S77-D79 PolarHBondContact O-N 2.58Å
78	D	29.2	Very low	28.2	Very low	167 Å²	167	145.7 Å²	145.7	89%	0.893	78%	0.78	S	S	*	*	S	Bend	trans	-79.4	50.9	-165.5	-139.1	5.2	0	0	0	113.1
79	D	30.3	Very low	27.9	Very low	153 Å²	153	147 Å²	147	82%	0.818	79%	0.786	S	S	*	*			trans	-132.7	23.6	-169.9	-100	-13.3	0	0	0	114.8	S77	S77-D79 PolarHBondContact O-N 2.58Å
80	F	26.9	Very low	27.7	Very low	163 Å²	163	149.4 Å²	149.4	72%	0.715	80%	0.796	S	S	*	*			trans	-131.6	59	178.3	-150.3	-96.5	0	0	0	113.1	F84	F80-F84 HydrophobicContact CE1-CD2 4.43Å
81	L	28.1	Very low	27.6	Very low	170 Å²	170	145.3 Å²	145.3	89%	0.89	80%	0.798	S	S	*	*	S	Bend	trans	-136.1	39.7	171.4	-102.5	174.8	0	0	0	112.6
82	D	30.3	Very low	27.3	Very low	159 Å²	159	144 Å²	144	85%	0.85	80%	0.802	S	S	*	*	S	Bend	trans	-139.7	9.7	174.1	-130	13.6	0	0	0	116.7
83	D	29.9	Very low	27.3	Very low	126 Å²	126	144.5 Å²	144.5	67%	0.674	81%	0.806	S	S	*	*	S	Bend	trans	-129.1	16.4	-179	-113.6	-4.1	0	0	0	115.3	Q85	D83-Q85 VanDerWaalsContact C-N 3.35Å; D83-Q85 PolarHBondContact O-N 3.27Å
84	F	25.8	Very low	27.1	Very low	195 Å²	195	147.7 Å²	147.7	86%	0.855	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	19.5	178.2	-123.7	-87.7	0	0	0	114.5	F80	F80-F84 HydrophobicContact CE1-CD2 4.43Å
85	Q	29.4	Very low	27.7	Very low	193 Å²	193	146.1 Å²	146.1	90%	0.902	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	9.9	177.1	-106.9	178.5	2.7	0	0	115.7	D83	D83-Q85 VanDerWaalsContact C-N 3.35Å; D83-Q85 PolarHBondContact O-N 3.27Å
86	T	29.6	Very low	27.7	Very low	116 Å²	116	149.4 Å²	149.4	71%	0.712	82%	0.818	S	S	*	*	S	Bend	trans	-140.6	83.1	172.7	45.6	0	0	0	0	112.5
87	A	26	Very low	27.8	Very low	101 Å²	101	144.9 Å²	144.9	84%	0.835	81%	0.811	S	S	*	*			trans	172	80.8	140.6	0	0	0	0	0	111.3
88	I	26	Very low	27.7	Very low	170 Å²	170	150.6 Å²	150.6	87%	0.872	82%	0.818	S	S	*	*			trans	-96.3	109.6	149.6	-66.5	-178.8	0	0	0	106.1
89	Q	27.7	Very low	27.5	Very low	191 Å²	191	148.9 Å²	148.9	89%	0.893	81%	0.809	S	S	*	*			trans	-159.9	143.1	149	-123.7	172.2	-3.4	0	0	113.6
90	E	25.5	Very low	27.3	Very low	194 Å²	194	149 Å²	149	91%	0.907	81%	0.808	S	S	*	*			trans	-76	148.5	-171.6	-65.1	169.1	133.9	0	0	114.5
91	G	25.8	Very low	27.2	Very low	69 Å²	69	146.2 Å²	146.2	71%	0.711	81%	0.806	S	S	*	*			trans	63.6	110	137.2	0	0	0	0	0	119.9
92	T	23.6	Very low	27.4	Very low	150 Å²	150	147.9 Å²	147.9	92%	0.92	81%	0.806	S	S	*	*			trans	-164.7	133.5	133.6	-2.3	0	0	0	0	112.2
93	S	27.3	Very low	27.3	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	80%	0.802	S	S	*	*			trans	-79.8	151.4	167.7	50.2	0	0	0	0	111.9
94	V	24.9	Very low	27.2	Very low	139 Å²	139	145.4 Å²	145.4	84%	0.842	81%	0.806	S	S	*	*			trans	154	147.5	140.9	163	0	0	0	0	110.1
95	P	38.8	Very low	27.5	Very low	107 Å²	107	145.6 Å²	145.6	70%	0.695	81%	0.809	S	S	*	*			trans	-105.6	162.8	-143.9	39.4	-30.9	0	0	0	114
96	L	25.8	Very low	27.5	Very low	175 Å²	175	139.5 Å²	139.5	92%	0.916	80%	0.798	S	S	*	*			trans	-142.1	118.3	160.8	-119	104.2	0	0	0	112.4
97	S	25.4	Very low	27.7	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	80%	0.804	S	S	*	*			trans	-70.9	135	160.1	177.7	0	0	0	0	109.4
98	R	25.4	Very low	28.4	Very low	214 Å²	214	144 Å²	144	81%	0.808	80%	0.803	S	S	*	*				171.4	142.2	125.3	-105.6	-178.1	161.6	138.2	-3	114.4
99	D	25	Very low	29	Very low	131 Å²	131	144.4 Å²	144.4	70%	0.701	80%	0.801	S	S	*	*			trans	82.2	98.1	143.1	-56.6	-21.4	0	0	0	119.5	P101	D99-P101 WeakPolarHBondContact O-CD 3.36Å
100	I	26.6	Very low	30	Very low	157 Å²	157	139.3 Å²	139.3	81%	0.805	78%	0.775	S	S	*	*			trans	-69.9	119.8	156.6	-61.7	163.3	0	0	0	108.5	K102	I100-K102 PolarHBondContact O-N 2.72Å
101	P	24.4	Very low	31.4	Very low	104 Å²	104	132.6 Å²	132.6	68%	0.675	75%	0.75	S	S	*	*			trans	-81.6	113.1	156.8	0.5	19.1	0	0	0	107.8	D99 T103	D99-P101 WeakPolarHBondContact O-CD 3.36Å; P101-T103 PolarHBondContact O-N 2.91Å; P101-T103 VanDerWaalsContact O-N 3.1Å
102	K	33.3	Very low	33	Very low	204 Å²	204	136.9 Å²	136.9	89%	0.887	75%	0.751	S	S	*	*			trans	-62	106	158	-77.6	178.1	173.6	178.7	0	107.5	I100	I100-K102 PolarHBondContact O-N 2.72Å
103	T	26.7	Very low	34.8	Very low	125 Å²	125	133.9 Å²	133.9	77%	0.767	74%	0.737	S	S	*	*			trans	-110.8	116.4	162.2	44.7	0	0	0	0	109.1	P101	P101-T103 PolarHBondContact O-N 2.91Å; P101-T103 VanDerWaalsContact O-N 3.1Å
104	S	27.4	Very low	36.4	Very low	108 Å²	108	134 Å²	134	76%	0.755	73%	0.725	S	S	*	*			trans	-33.1	141.6	167.5	46.6	0	0	0	0	114.9	G106	S104-G106 PolarHBondContact O-N 2.91Å
105	H	33.5	Very low	38.8	Very low	200 Å²	200	130 Å²	130	93%	0.926	70%	0.704	S	S	*	*			trans	-36.9	106.5	159.6	-69.9	-80.2	0	0	0	111.2
106	G	28	Very low	40.9	Very low	65 Å²	65	130.6 Å²	130.6	67%	0.67	70%	0.698	S	S	*	*			trans	-86	114.1	163.1	0	0	0	0	0	107.9	S104 V108	S104-G106 PolarHBondContact O-N 2.91Å; G106-V108 PolarHBondContact O-N 3.17Å; G106-V108 VanDerWaalsContact O-N 3.12Å
107	E	34.6	Very low	43.8	Very low	178 Å²	178	124.2 Å²	124.2	83%	0.832	67%	0.67	S	S	*	*			trans	-54.8	113	163.7	-79.9	174.2	143.9	0	0	108.5	H109	E107-H109 PolarHBondContact O-N 3.22Å
108	V	40.6	Very low	47	Very low	134 Å²	134	119.7 Å²	119.7	81%	0.812	64%	0.637	S	S	*	*			trans	-70.6	106.8	165.3	177.7	0	0	0	0	105.8	G106 K110	G106-V108 PolarHBondContact O-N 3.17Å; G106-V108 VanDerWaalsContact O-N 3.12Å; V108-K110 VanDerWaalsContact C-N 3.27Å; V108-K110 PolarHBondContact O-N 3.38Å
109	H	39.3	Very low	50.2	Low	178 Å²	178	111.8 Å²	111.8	82%	0.824	61%	0.612	S	S	*	*			trans	-62.1	90.6	169	-85.4	-73.9	0	0	0	109	E107 S111	E107-H109 PolarHBondContact O-N 3.22Å; H109-S111 PolarHBondContact O-N 3.5Å
110	K	48.7	Very low	53.4	Low	83 Å²	83	109 Å²	109	36%	0.361	60%	0.603	S	S	.	*			trans	-62.3	129.9	168.1	-126.1	177	-175.6	177.2	0	107.9	E50 V108 E114	E50-K110 VanDerWaalsContact CD-NZ 3.28Å; E50-K110 IonicContact OE1-NZ 3.72Å; E50-K110 PolarHBondContact OE1-NZ 2.82Å; E50-K110 WeakPolarHBondContact OE2-CE 3.37Å; E50-K110 IonicContact OE2-NZ 2.99Å; E50-K110 PolarHBondContact OE2-NZ 3.48Å; V108-K110 VanDerWaalsContact C-N 3.27Å; V108-K110 PolarHBondContact O-N 3.38Å; K110-E114 HydrophobicContact CG-CB 4.48Å
111	S	55.5	Low	56.6	Low	53 Å²	53	101.6 Å²	101.6	37%	0.371	57%	0.565	S	S	.	*			trans	-63.3	145.1	177.4	69.1	0	0	0	0	109.9	H109 S113 E114 S115	H109-S111 PolarHBondContact O-N 3.5Å; S111-S113 PolarHBondContact O-N 2.87Å; S111-S113 VanDerWaalsContact O-N 3.1Å; S111-E114 PolarHBondContact N-OE2 3.5Å; S111-E114 PolarHBondContact O-N 2.78Å; S111-E114 WeakPolarHBondContact OG-CB 3.35Å; S111-E114 VanDerWaalsContact OG-CG 3.25Å; S111-E114 WeakPolarHBondContact OG-CG 3.46Å; S111-E114 PolarHBondContact OG-N 3.16Å; S111-E114 PolarHBondContact OG-OE2 3.01Å; S111-S115 PolarHBondContact O-N 3.19Å; S111-S115 VanDerWaalsContact O-N 3.1Å
112	E	58.1	Low	59.9	Low	159 Å²	159	96.6 Å²	96.6	74%	0.743	53%	0.533	S	S	*	.	H	α-helix	trans	-57.4	-29.9	-178.6	-163.1	170.6	-176.3	0	0	112	Q116	E112-Q116 WeakPolarHBondContact O-CG 3.47Å; E112-Q116 PolarHBondContact O-N 2.74Å; E112-Q116 VanDerWaalsContact O-N 3.09Å
113	S	60.8	Low	62.8	Low	88 Å²	88	91.3 Å²	91.3	62%	0.615	51%	0.51	S	S	*	.	H	α-helix	trans	-68.6	-39	174.2	-175.8	0	0	0	0	113.7	S111 A117	S111-S113 PolarHBondContact O-N 2.87Å; S111-S113 VanDerWaalsContact O-N 3.1Å; S113-A117 PolarHBondContact O-N 3.48Å; S113-A117 VanDerWaalsContact O-N 3.11Å
114	E	61.7	Low	66	Low	106 Å²	106	88.7 Å²	88.7	50%	0.495	49%	0.489	S	S	.	.	H	α-helix	trans	-72.9	-38	177.8	-75.4	164.4	155.2	0	0	111.1	K110 S111 Q116 A117 F118	K110-E114 HydrophobicContact CG-CB 4.48Å; S111-E114 PolarHBondContact N-OE2 3.5Å; S111-E114 PolarHBondContact O-N 2.78Å; S111-E114 WeakPolarHBondContact OG-CB 3.35Å; S111-E114 VanDerWaalsContact OG-CG 3.25Å; S111-E114 WeakPolarHBondContact OG-CG 3.46Å; S111-E114 PolarHBondContact OG-N 3.16Å; S111-E114 PolarHBondContact OG-OE2 3.01Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 2.97Å; E114-A117 PolarHBondContact O-N 3.49Å; E114-F118 PolarHBondContact O-N 2.87Å
115	S	74.8	Confident	69.2	Low	56 Å²	56	83.8 Å²	83.8	39%	0.392	45%	0.454	S	S	.	.	H	α-helix	trans	-61.4	-40.9	172.9	-178.9	0	0	0	0	111.8	S111 V119	S111-S115 PolarHBondContact O-N 3.19Å; S111-S115 VanDerWaalsContact O-N 3.1Å; S115-V119 VanDerWaalsContact O-CG2 3.31Å; S115-V119 WeakPolarHBondContact O-CG2 3.21Å; S115-V119 PolarHBondContact O-N 2.8Å; S115-V119 VanDerWaalsContact O-N 3.07Å
116	Q	84	Confident	72.1	Confident	120 Å²	120	74.2 Å²	74.2	56%	0.561	41%	0.41	S	S	*	.	H	α-helix	trans	-67.4	-38.9	176	-77.1	176.5	7.6	0	0	113.2	E112 E114 S120	E112-Q116 WeakPolarHBondContact O-CG 3.47Å; E112-Q116 PolarHBondContact O-N 2.74Å; E112-Q116 VanDerWaalsContact O-N 3.09Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 2.97Å; Q116-S120 WeakPolarHBondContact O-CB 3.15Å; Q116-S120 PolarHBondContact O-N 3.13Å; Q116-S120 PolarHBondContact O-OG 2.55Å
117	A	87.1	Confident	75.2	Confident	41 Å²	41	77.8 Å²	77.8	34%	0.339	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-44.9	176.6	0	0	0	0	0	111.6	S113 E114 S120 A121	S113-A117 PolarHBondContact O-N 3.48Å; S113-A117 VanDerWaalsContact O-N 3.11Å; E114-A117 PolarHBondContact O-N 3.49Å; A117-S120 PolarHBondContact O-N 3.2Å; A117-A121 WeakPolarHBondContact O-CB 3.25Å; A117-A121 PolarHBondContact O-N 2.96Å
118	F	91.3	Very high	77.9	Confident	10 Å²	10	71.2 Å²	71.2	4%	0.044	38%	0.383	C	S	.	.	H	α-helix	trans	-59.3	-51	175.7	173.7	-104.7	0	0	0	112.2	E46 A49 E50 L53 E114 S120 A121 L122	E46-F118 HydrophobicContact CB-CE1 4.49Å; E46-F118 HydrophobicContact CB-CZ 4.15Å; E46-F118 HydrophobicContact CG-CZ 4.39Å; A49-F118 HydrophobicContact CB-CE2 4.24Å; A49-F118 HydrophobicContact CB-CZ 4.36Å; E50-F118 HydrophobicContact CB-CD2 3.77Å; E50-F118 HydrophobicContact CB-CE2 3.87Å; E50-F118 HydrophobicContact CG-CD2 4.03Å; L53-F118 HydrophobicContact CD1-CD2 3.91Å; L53-F118 HydrophobicContact CD1-CE2 3.78Å; E114-F118 PolarHBondContact O-N 2.87Å; F118-S120 VanDerWaalsContact C-N 3.26Å; F118-S120 PolarHBondContact O-N 3.28Å; F118-A121 PolarHBondContact O-N 2.81Å; F118-L122 HydrophobicContact CE1-CD2 4.19Å; F118-L122 HydrophobicContact CZ-CD2 4.21Å; F118-L122 WeakPolarHBondContact O-CB 3.38Å; F118-L122 PolarHBondContact O-N 2.93Å
119	V	92.4	Very high	80.2	Confident	47 Å²	47	66.8 Å²	66.8	29%	0.285	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-37.4	179.8	171.9	0	0	0	0	111.4	S115 L122 K123	S115-V119 VanDerWaalsContact O-CG2 3.31Å; S115-V119 WeakPolarHBondContact O-CG2 3.21Å; S115-V119 PolarHBondContact O-N 2.8Å; S115-V119 VanDerWaalsContact O-N 3.07Å; V119-L122 PolarHBondContact O-N 3.3Å; V119-K123 HydrophobicContact CG1-CD 4.47Å; V119-K123 WeakPolarHBondContact O-CG 3.39Å; V119-K123 PolarHBondContact O-N 3.05Å
120	S	92.4	Very high	82.6	Confident	73 Å²	73	61.6 Å²	61.6	51%	0.51	35%	0.353	S	S	.	.	H	α-helix	trans	-67.4	-46.7	177.6	-58.1	0	0	0	0	111.7	Q116 A117 F118 L122 K123 E124	Q116-S120 WeakPolarHBondContact O-CB 3.15Å; Q116-S120 PolarHBondContact O-N 3.13Å; Q116-S120 PolarHBondContact O-OG 2.55Å; A117-S120 PolarHBondContact O-N 3.2Å; F118-S120 VanDerWaalsContact C-N 3.26Å; F118-S120 PolarHBondContact O-N 3.28Å; S120-L122 VanDerWaalsContact C-N 3.28Å; S120-L122 PolarHBondContact O-N 3.23Å; S120-K123 PolarHBondContact O-N 3.36Å; S120-E124 PolarHBondContact O-N 3.19Å; S120-E124 VanDerWaalsContact O-N 3.13Å
121	A	93.3	Very high	84.8	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-40.6	174.4	0	0	0	0	0	111.9	L53 F58 I59 A117 F118 E124 F125	L53-A121 HydrophobicContact CB-CB 4.4Å; L53-A121 HydrophobicContact CD1-CB 3.98Å; L53-A121 HydrophobicContact CD2-CB 4.49Å; F58-A121 HydrophobicContact CB-CB 3.8Å; I59-A121 HydrophobicContact CG1-CB 3.56Å; A117-A121 WeakPolarHBondContact O-CB 3.25Å; A117-A121 PolarHBondContact O-N 2.96Å; F118-A121 PolarHBondContact O-N 2.81Å; A121-E124 PolarHBondContact O-N 3.05Å; A121-F125 PolarHBondContact O-N 3.48Å
122	L	94.8	Very high	86.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.9	-43.1	-179.9	-165.4	64.1	0	0	0	112.3	L53 F118 V119 S120 E124 F125 Q126 V136 F137 T141 M145	L53-L122 HydrophobicContact CD1-CB 4.21Å; L53-L122 HydrophobicContact CD1-CD1 4.01Å; F118-L122 HydrophobicContact CE1-CD2 4.19Å; F118-L122 HydrophobicContact CZ-CD2 4.21Å; F118-L122 WeakPolarHBondContact O-CB 3.38Å; F118-L122 PolarHBondContact O-N 2.93Å; V119-L122 PolarHBondContact O-N 3.3Å; S120-L122 VanDerWaalsContact C-N 3.28Å; S120-L122 PolarHBondContact O-N 3.23Å; L122-E124 PolarHBondContact O-N 3.07Å; L122-F125 PolarHBondContact O-N 3.49Å; L122-Q126 WeakPolarHBondContact O-CB 3.21Å; L122-Q126 VanDerWaalsContact O-CG 3.28Å; L122-Q126 WeakPolarHBondContact O-CG 3.29Å; L122-Q126 PolarHBondContact O-N 3.36Å; L122-V136 VanDerWaalsContact CD2-C 3.49Å; L122-F137 HydrophobicContact CD2-CB 4.05Å; L122-T141 HydrophobicContact CD1-CG2 3.68Å; L122-T141 HydrophobicContact CG-CG2 4.45Å; L122-M145 HydrophobicContact CD1-CE 3.41Å; L122-M145 VanDerWaalsContact CD1-CE 3.41Å
123	K	94.8	Very high	88.5	Confident	93 Å²	93	57.8 Å²	57.8	40%	0.404	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-41	174.2	-77.8	179.4	-179.2	177.8	0	111.7	V119 S120 M127 V133	V119-K123 HydrophobicContact CG1-CD 4.47Å; V119-K123 WeakPolarHBondContact O-CG 3.39Å; V119-K123 PolarHBondContact O-N 3.05Å; S120-K123 PolarHBondContact O-N 3.36Å; K123-M127 WeakPolarHBondContact O-CB 3.49Å; K123-M127 PolarHBondContact O-N 3.31Å; K123-V133 HydrophobicContact CB-CG1 3.69Å; K123-V133 HydrophobicContact CD-CG1 4.4Å; K123-V133 HydrophobicContact CG-CG1 3.85Å
124	E	93.3	Very high	90.1	Very high	70 Å²	70	56.6 Å²	56.6	33%	0.327	33%	0.334	S	S	.	.	H	α-helix	trans	-69.5	-45.7	178.7	-172.2	171.2	-174.2	0	0	112.1	F58 S120 A121 L122 Q126 M127 V128 K155	F58-E124 HydrophobicContact CD1-CB 4.38Å; F58-E124 HydrophobicContact CD1-CG 4.22Å; F58-E124 HydrophobicContact CE1-CG 4.31Å; S120-E124 PolarHBondContact O-N 3.19Å; S120-E124 VanDerWaalsContact O-N 3.13Å; A121-E124 PolarHBondContact O-N 3.05Å; L122-E124 PolarHBondContact O-N 3.07Å; E124-Q126 VanDerWaalsContact C-N 3.28Å; E124-Q126 PolarHBondContact O-N 2.81Å; E124-M127 WeakPolarHBondContact O-CB 3.19Å; E124-M127 PolarHBondContact O-N 3.31Å; E124-M127 VanDerWaalsContact O-N 3.1Å; E124-V128 WeakPolarHBondContact O-CG2 3.49Å; E124-V128 PolarHBondContact O-N 3.37Å; E124-K155 VanDerWaalsContact CD-CE 3.43Å; E124-K155 WeakPolarHBondContact OE1-CE 3.29Å; E124-K155 IonicContact OE1-NZ 2.65Å; E124-K155 PolarHBondContact OE1-NZ 2.68Å; E124-K155 IonicContact OE2-NZ 3.69Å; E124-K155 PolarHBondContact OE2-NZ 3.47Å
125	F	94.1	Very high	91.6	Very high	4 Å²	4	52 Å²	52	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-55.2	-44.5	173.2	174.4	-98.1	0	0	0	111.8	F52 L53 F58 A121 L122 M127 V128 S129 T141 A144 M145	F52-F125 AromaticContact CE1-CD2 3.98Å; F52-F125 HydrophobicContact CE1-CD2 3.98Å; F52-F125 AromaticContact CE1-CE2 3.61Å; F52-F125 HydrophobicContact CE1-CE2 3.61Å; F52-F125 HydrophobicContact CE1-CZ 4.09Å; F52-F125 AromaticContact CZ-CE2 3.94Å; F52-F125 HydrophobicContact CZ-CE2 3.94Å; F52-F125 HydrophobicContact CZ-CZ 4.3Å; L53-F125 HydrophobicContact CD2-CB 3.71Å; L53-F125 HydrophobicContact CD2-CG 4.13Å; F58-F125 HydrophobicContact CD1-CB 4.41Å; F58-F125 HydrophobicContact CE1-CB 4.22Å; F58-F125 AromaticContact CE2-CD2 3.96Å; F58-F125 HydrophobicContact CE2-CD2 3.96Å; F58-F125 HydrophobicContact CZ-CB 4.33Å; F58-F125 AromaticContact CZ-CD2 3.91Å; F58-F125 HydrophobicContact CZ-CD2 3.91Å; A121-F125 PolarHBondContact O-N 3.48Å; L122-F125 PolarHBondContact O-N 3.49Å; F125-M127 PolarHBondContact O-N 3.02Å; F125-V128 WeakPolarHBondContact O-CG2 3.32Å; F125-V128 PolarHBondContact O-N 3.49Å; F125-S129 WeakPolarHBondContact CE2-OG 3.5Å; F125-S129 WeakPolarHBondContact CZ-OG 3.46Å; F125-S129 WeakPolarHBondContact O-CB 3.39Å; F125-S129 PolarHBondContact O-N 3.28Å; F125-S129 PolarHBondContact O-OG 3.16Å; F125-T141 HydrophobicContact CD1-CG2 4Å; F125-T141 HydrophobicContact CE1-CG2 4.05Å; F125-A144 HydrophobicContact CE1-CB 4.12Å; F125-A144 HydrophobicContact CZ-CB 4.17Å; F125-M145 HydrophobicContact CD1-CE 3.59Å; F125-M145 HydrophobicContact CD1-CG 4.15Å; F125-M145 HydrophobicContact CE1-CE 3.86Å; F125-M145 HydrophobicContact CE1-CG 3.41Å; F125-M145 VanDerWaalsContact CE1-CG 3.41Å; F125-M145 HydrophobicContact CE1-SD 4.49Å; F125-M145 HydrophobicContact CE2-CG 4.36Å; F125-M145 HydrophobicContact CG-CE 4.03Å; F125-M145 HydrophobicContact CZ-CB 4.4Å; F125-M145 HydrophobicContact CZ-CG 3.54Å
126	Q	95.3	Very high	92.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-45.8	175.4	-74.7	172.3	-22.5	0	0	111.6	L122 E124 S129 G130 L131 P132 T134 V136 T141	L122-Q126 WeakPolarHBondContact O-CB 3.21Å; L122-Q126 VanDerWaalsContact O-CG 3.28Å; L122-Q126 WeakPolarHBondContact O-CG 3.29Å; L122-Q126 PolarHBondContact O-N 3.36Å; E124-Q126 VanDerWaalsContact C-N 3.28Å; E124-Q126 PolarHBondContact O-N 2.81Å; Q126-S129 PolarHBondContact O-N 3.42Å; Q126-G130 PolarHBondContact O-N 2.81Å; Q126-G130 VanDerWaalsContact O-N 3.16Å; Q126-L131 HydrophobicContact CB-CB 4.08Å; Q126-L131 HydrophobicContact CG-CB 4.33Å; Q126-L131 HydrophobicContact CG-CD1 4.38Å; Q126-L131 PolarHBondContact O-N 2.65Å; Q126-P132 PolarHBondContact OE1-O 2.91Å; Q126-T134 PolarHBondContact NE2-OG1 2.82Å; Q126-T134 PolarHBondContact OE1-OG1 2.91Å; Q126-V136 PolarHBondContact NE2-O 3.12Å; Q126-T141 HydrophobicContact CG-CG2 4.15Å; Q126-T141 PolarHBondContact NE2-OG1 3.12Å
127	M	92.6	Very high	93	Very high	140 Å²	140	49 Å²	49	69%	0.69	30%	0.3	S	S	*	.	H	α-helix	trans	-59	-50.1	178.6	-178.9	176.9	173.3	0	0	111.7	K123 E124 F125 S129 G130 V133	K123-M127 WeakPolarHBondContact O-CB 3.49Å; K123-M127 PolarHBondContact O-N 3.31Å; E124-M127 WeakPolarHBondContact O-CB 3.19Å; E124-M127 PolarHBondContact O-N 3.31Å; E124-M127 VanDerWaalsContact O-N 3.1Å; F125-M127 PolarHBondContact O-N 3.02Å; M127-S129 VanDerWaalsContact C-N 3.3Å; M127-S129 PolarHBondContact O-N 2.86Å; M127-G130 PolarHBondContact O-N 2.9Å; M127-V133 HydrophobicContact CB-CG2 3.81Å; M127-V133 HydrophobicContact CG-CG2 4.46Å
128	V	90.3	Very high	93.3	Very high	39 Å²	39	49.4 Å²	49.4	24%	0.236	30%	0.296	C	S	.	.	H	α-helix	trans	-73.1	-24.6	-177.4	-57.6	0	0	0	0	112.9	F58 E124 F125 G130 Y345	F58-V128 HydrophobicContact CE1-CG2 4.06Å; F58-V128 HydrophobicContact CZ-CG2 4.09Å; E124-V128 WeakPolarHBondContact O-CG2 3.49Å; E124-V128 PolarHBondContact O-N 3.37Å; F125-V128 WeakPolarHBondContact O-CG2 3.32Å; F125-V128 PolarHBondContact O-N 3.49Å; V128-G130 VanDerWaalsContact C-N 3.29Å; V128-Y345 HydrophobicContact CB-CD1 3.51Å; V128-Y345 HydrophobicContact CB-CD2 3.95Å; V128-Y345 HydrophobicContact CB-CE1 3.66Å; V128-Y345 HydrophobicContact CB-CE2 4.1Å; V128-Y345 HydrophobicContact CB-CG 3.62Å; V128-Y345 HydrophobicContact CG1-CD2 4.13Å; V128-Y345 HydrophobicContact CG1-CE2 4.21Å; V128-Y345 HydrophobicContact CG1-CG 4.26Å; V128-Y345 HydrophobicContact CG2-CD1 3.77Å; V128-Y345 HydrophobicContact CG2-CE1 3.4Å; V128-Y345 VanDerWaalsContact CG2-CE1 3.4Å; V128-Y345 HydrophobicContact CG2-CE2 4.31Å; V128-Y345 HydrophobicContact CG2-CG 4.33Å; V128-Y345 WeakPolarHBondContact O-CD1 3.18Å
129	S	89.9	Confident	93.4	Very high	42 Å²	42	54 Å²	54	29%	0.294	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.7	174.2	-57.2	0	0	0	0	113.5	F125 Q126 M127 L131	F125-S129 WeakPolarHBondContact CE2-OG 3.5Å; F125-S129 WeakPolarHBondContact CZ-OG 3.46Å; F125-S129 WeakPolarHBondContact O-CB 3.39Å; F125-S129 PolarHBondContact O-N 3.28Å; F125-S129 PolarHBondContact O-OG 3.16Å; Q126-S129 PolarHBondContact O-N 3.42Å; M127-S129 VanDerWaalsContact C-N 3.3Å; M127-S129 PolarHBondContact O-N 2.86Å; S129-L131 VanDerWaalsContact C-N 3.33Å
130	G	90.5	Very high	93.5	Very high	69 Å²	69	54 Å²	54	71%	0.711	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	24.1	-179.1	0	0	0	0	0	114.4	Q126 M127 V128	Q126-G130 PolarHBondContact O-N 2.81Å; Q126-G130 VanDerWaalsContact O-N 3.16Å; M127-G130 PolarHBondContact O-N 2.9Å; V128-G130 VanDerWaalsContact C-N 3.29Å
131	L	93.6	Very high	93.6	Very high	40 Å²	40	50.6 Å²	50.6	21%	0.209	30%	0.302	C	S	.	.			trans	-93	160.2	177.3	-60.7	177.1	0	0	0	111.6	Q126 S129 V133 A140 A144	Q126-L131 HydrophobicContact CB-CB 4.08Å; Q126-L131 HydrophobicContact CG-CB 4.33Å; Q126-L131 HydrophobicContact CG-CD1 4.38Å; Q126-L131 PolarHBondContact O-N 2.65Å; S129-L131 VanDerWaalsContact C-N 3.33Å; L131-V133 PolarHBondContact O-N 3.15Å; L131-A140 HydrophobicContact CD2-CB 4.3Å; L131-A144 HydrophobicContact CD1-CB 3.8Å
132	P	95.5	Very high	93.7	Very high	91 Å²	91	53 Å²	53	59%	0.591	31%	0.312	S	S	*	.			trans	-56.8	126.4	167.4	-23.1	34.6	0	0	0	111.1	Q126 T134	Q126-P132 PolarHBondContact OE1-O 2.91Å; P132-T134 HydrophobicContact CB-CG2 4.29Å; P132-T134 PolarHBondContact O-N 3.04Å
133	V	96.6	Very high	93.6	Very high	83 Å²	83	58 Å²	58	50%	0.503	34%	0.339	S	S	.	.			trans	-80.5	88.4	-177.5	-175.6	0	0	0	0	109.8	K123 M127 L131	K123-V133 HydrophobicContact CB-CG1 3.69Å; K123-V133 HydrophobicContact CD-CG1 4.4Å; K123-V133 HydrophobicContact CG-CG1 3.85Å; M127-V133 HydrophobicContact CB-CG2 3.81Å; M127-V133 HydrophobicContact CG-CG2 4.46Å; L131-V133 PolarHBondContact O-N 3.15Å
134	T	94.7	Very high	93.4	Very high	63 Å²	63	53.9 Å²	53.9	39%	0.387	32%	0.323	S	S	.	.			trans	-100.9	-31	-178.7	61.9	0	0	0	0	112	Q126 P132 V136 D138	Q126-T134 PolarHBondContact NE2-OG1 2.82Å; Q126-T134 PolarHBondContact OE1-OG1 2.91Å; P132-T134 HydrophobicContact CB-CG2 4.29Å; P132-T134 PolarHBondContact O-N 3.04Å; T134-V136 PolarHBondContact OG1-N 3.21Å; T134-V136 VanDerWaalsContact OG1-N 3.16Å; T134-V136 PolarHBondContact OG1-O 3.47Å; T134-D138 PolarHBondContact OG1-OD2 3.28Å
135	G	92.3	Very high	93.4	Very high	9 Å²	9	50.6 Å²	50.6	9%	0.093	31%	0.307	C	S	.	.	S	Bend	trans	69.5	17.7	-167.8	0	0	0	0	0	113.5
136	V	93.8	Very high	93.2	Very high	89 Å²	89	52 Å²	52	54%	0.539	32%	0.315	S	S	.	.	S	Bend	trans	-111.8	138	177.2	179.6	0	0	0	0	108.5	L122 Q126 T134 D138	L122-V136 VanDerWaalsContact CD2-C 3.49Å; Q126-V136 PolarHBondContact NE2-O 3.12Å; T134-V136 PolarHBondContact OG1-N 3.21Å; T134-V136 VanDerWaalsContact OG1-N 3.16Å; T134-V136 PolarHBondContact OG1-O 3.47Å; V136-D138 PolarHBondContact O-N 3.27Å
137	F	94.4	Very high	93	Very high	26 Å²	26	56.6 Å²	56.6	11%	0.114	34%	0.335	C	S	.	.			trans	-77	74	175	-176.1	-119.3	0	0	0	110.1	I43 E46 A49 L122 T141 K142 M145	I43-F137 HydrophobicContact CG2-CE2 4.39Å; I43-F137 HydrophobicContact CG2-CZ 3.92Å; E46-F137 HydrophobicContact CG-CB 4.1Å; E46-F137 HydrophobicContact CG-CD1 4.1Å; E46-F137 HydrophobicContact CG-CG 4.42Å; A49-F137 HydrophobicContact CB-CD2 3.89Å; A49-F137 HydrophobicContact CB-CE2 3.71Å; A49-F137 HydrophobicContact CB-CG 4.4Å; A49-F137 HydrophobicContact CB-CZ 4.06Å; L122-F137 HydrophobicContact CD2-CB 4.05Å; F137-T141 HydrophobicContact CD2-CG2 4.2Å; F137-K142 HydrophobicContact CE1-CB 4.43Å; F137-K142 HydrophobicContact CE1-CG 4.41Å; F137-K142 HydrophobicContact CE2-CB 3.91Å; F137-K142 HydrophobicContact CE2-CG 4.38Å; F137-K142 HydrophobicContact CZ-CB 3.73Å; F137-K142 HydrophobicContact CZ-CD 4.5Å; F137-K142 HydrophobicContact CZ-CG 3.76Å; F137-M145 HydrophobicContact CD2-SD 4.33Å; F137-M145 HydrophobicContact CE2-SD 3.8Å
138	D	93.1	Very high	92.9	Very high	48 Å²	48	51.6 Å²	51.6	26%	0.257	31%	0.313	S	S	.	.			trans	-83.5	168.1	178.1	58.4	33.8	0	0	0	112.5	T134 V136 A140 T141 K142	T134-D138 PolarHBondContact OG1-OD2 3.28Å; V136-D138 PolarHBondContact O-N 3.27Å; D138-A140 PolarHBondContact O-N 2.89Å; D138-A140 PolarHBondContact OD1-N 2.91Å; D138-T141 WeakPolarHBondContact O-CB 3.33Å; D138-T141 PolarHBondContact O-N 2.71Å; D138-T141 VanDerWaalsContact O-N 3.08Å; D138-T141 VanDerWaalsContact OD1-CB 3.24Å; D138-T141 WeakPolarHBondContact OD1-CB 3.34Å; D138-T141 PolarHBondContact OD1-N 2.87Å; D138-T141 PolarHBondContact OD1-OG1 2.92Å; D138-K142 PolarHBondContact O-N 3.02Å
139	D	94.6	Very high	93	Very high	108 Å²	108	50 Å²	50	58%	0.578	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-33.2	-176.9	-68.9	-35.6	0	0	0	112.5	K142 D143	D139-K142 PolarHBondContact O-N 3.05Å; D139-K142 IonicContact OD1-NZ 3.3Å; D139-K142 PolarHBondContact OD1-NZ 2.73Å; D139-D143 WeakPolarHBondContact O-CB 3.39Å; D139-D143 PolarHBondContact O-N 3.09Å
140	A	94.7	Very high	93.1	Very high	47 Å²	47	48 Å²	48	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-67.5	-38.1	175.9	0	0	0	0	0	112.3	L131 D138 A144	L131-A140 HydrophobicContact CD2-CB 4.3Å; D138-A140 PolarHBondContact O-N 2.89Å; D138-A140 PolarHBondContact OD1-N 2.91Å; A140-A144 WeakPolarHBondContact O-CB 3.48Å; A140-A144 PolarHBondContact O-N 2.84Å
141	T	94.5	Very high	93	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-42.8	174.7	-55.4	0	0	0	0	111	L122 F125 Q126 F137 D138 A144 M145	L122-T141 HydrophobicContact CD1-CG2 3.68Å; L122-T141 HydrophobicContact CG-CG2 4.45Å; F125-T141 HydrophobicContact CD1-CG2 4Å; F125-T141 HydrophobicContact CE1-CG2 4.05Å; Q126-T141 HydrophobicContact CG-CG2 4.15Å; Q126-T141 PolarHBondContact NE2-OG1 3.12Å; F137-T141 HydrophobicContact CD2-CG2 4.2Å; D138-T141 WeakPolarHBondContact O-CB 3.33Å; D138-T141 PolarHBondContact O-N 2.71Å; D138-T141 VanDerWaalsContact O-N 3.08Å; D138-T141 VanDerWaalsContact OD1-CB 3.24Å; D138-T141 WeakPolarHBondContact OD1-CB 3.34Å; D138-T141 PolarHBondContact OD1-N 2.87Å; D138-T141 PolarHBondContact OD1-OG1 2.92Å; T141-A144 PolarHBondContact O-N 2.84Å; T141-M145 HydrophobicContact CG2-CE 4.05Å; T141-M145 HydrophobicContact CG2-SD 4.47Å; T141-M145 WeakPolarHBondContact O-CG 3.47Å; T141-M145 PolarHBondContact O-N 3.13Å
142	K	94.5	Very high	92.8	Very high	51 Å²	51	43.3 Å²	43.3	22%	0.222	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-47.9	173.7	-175.1	-170.4	-62.3	151.8	0	111.7	I43 F137 D138 D139 A144 M145 N146	I43-K142 WeakPolarHBondContact O-CG 3.36Å; F137-K142 HydrophobicContact CE1-CB 4.43Å; F137-K142 HydrophobicContact CE1-CG 4.41Å; F137-K142 HydrophobicContact CE2-CB 3.91Å; F137-K142 HydrophobicContact CE2-CG 4.38Å; F137-K142 HydrophobicContact CZ-CB 3.73Å; F137-K142 HydrophobicContact CZ-CD 4.5Å; F137-K142 HydrophobicContact CZ-CG 3.76Å; D138-K142 PolarHBondContact O-N 3.02Å; D139-K142 PolarHBondContact O-N 3.05Å; D139-K142 IonicContact OD1-NZ 3.3Å; D139-K142 PolarHBondContact OD1-NZ 2.73Å; K142-A144 VanDerWaalsContact C-N 3.28Å; K142-A144 PolarHBondContact O-N 2.97Å; K142-M145 PolarHBondContact O-N 3.45Å; K142-N146 PolarHBondContact O-N 2.9Å; K142-N146 VanDerWaalsContact O-N 3.1Å; K142-N146 PolarHBondContact O-ND2 2.93Å
143	D	92.3	Very high	92.3	Very high	105 Å²	105	40.1 Å²	40.1	56%	0.561	23%	0.228	S	C	*	.	H	α-helix	trans	-61.9	-37.8	176.9	-73.9	-12.4	0	0	0	111.4	D139 K147	D139-D143 WeakPolarHBondContact O-CB 3.39Å; D139-D143 PolarHBondContact O-N 3.09Å; D143-K147 WeakPolarHBondContact O-CG 3.43Å; D143-K147 PolarHBondContact O-N 3.01Å
144	A	91.6	Very high	91.7	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-69.6	-40.1	177.4	0	0	0	0	0	113.1	F125 L131 A140 T141 K142 N146 K147	F125-A144 HydrophobicContact CE1-CB 4.12Å; F125-A144 HydrophobicContact CZ-CB 4.17Å; L131-A144 HydrophobicContact CD1-CB 3.8Å; A140-A144 WeakPolarHBondContact O-CB 3.48Å; A140-A144 PolarHBondContact O-N 2.84Å; T141-A144 PolarHBondContact O-N 2.84Å; K142-A144 VanDerWaalsContact C-N 3.28Å; K142-A144 PolarHBondContact O-N 2.97Å; A144-N146 VanDerWaalsContact C-N 3.3Å; A144-N146 PolarHBondContact O-N 2.85Å; A144-K147 PolarHBondContact O-N 3.24Å
145	M	92	Very high	90.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-30.9	177.1	-70.9	-176.5	169.6	0	0	112.7	I43 A49 F52 L53 L122 F125 F137 T141 K142 K147	I43-M145 HydrophobicContact CD1-CB 3.84Å; A49-M145 HydrophobicContact CB-CE 4.44Å; A49-M145 HydrophobicContact CB-SD 3.86Å; F52-M145 HydrophobicContact CD1-CB 4.45Å; F52-M145 HydrophobicContact CD1-CE 4.02Å; F52-M145 HydrophobicContact CD1-CG 3.95Å; F52-M145 HydrophobicContact CD1-SD 3.99Å; F52-M145 HydrophobicContact CD2-CB 4.5Å; F52-M145 HydrophobicContact CE1-CB 4.27Å; F52-M145 HydrophobicContact CE1-CE 4.3Å; F52-M145 HydrophobicContact CE1-CG 3.77Å; F52-M145 HydrophobicContact CE1-SD 4.38Å; F52-M145 HydrophobicContact CE2-CB 4.28Å; F52-M145 WeakPolarHBondContact CE2-O 3.28Å; F52-M145 HydrophobicContact CG-CG 4.5Å; F52-M145 HydrophobicContact CG-SD 4.45Å; F52-M145 HydrophobicContact CZ-CB 4.16Å; F52-M145 HydrophobicContact CZ-CG 4.12Å; L53-M145 HydrophobicContact CD1-CE 4.21Å; L53-M145 HydrophobicContact CD2-CE 3.73Å; L53-M145 HydrophobicContact CG-CE 3.88Å; L122-M145 HydrophobicContact CD1-CE 3.41Å; L122-M145 VanDerWaalsContact CD1-CE 3.41Å; F125-M145 HydrophobicContact CD1-CE 3.59Å; F125-M145 HydrophobicContact CD1-CG 4.15Å; F125-M145 HydrophobicContact CE1-CE 3.86Å; F125-M145 HydrophobicContact CE1-CG 3.41Å; F125-M145 VanDerWaalsContact CE1-CG 3.41Å; F125-M145 HydrophobicContact CE1-SD 4.49Å; F125-M145 HydrophobicContact CE2-CG 4.36Å; F125-M145 HydrophobicContact CG-CE 4.03Å; F125-M145 HydrophobicContact CZ-CB 4.4Å; F125-M145 HydrophobicContact CZ-CG 3.54Å; F137-M145 HydrophobicContact CD2-SD 4.33Å; F137-M145 HydrophobicContact CE2-SD 3.8Å; T141-M145 HydrophobicContact CG2-CE 4.05Å; T141-M145 HydrophobicContact CG2-SD 4.47Å; T141-M145 WeakPolarHBondContact O-CG 3.47Å; T141-M145 PolarHBondContact O-N 3.13Å; K142-M145 PolarHBondContact O-N 3.45Å; M145-K147 VanDerWaalsContact C-N 3.32Å
146	N	91.3	Very high	89.5	Confident	34 Å²	34	41.3 Å²	41.3	18%	0.182	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	3.1	177.6	-75.5	-65.8	0	0	0	114.3	V42 I43 K142 A144	V42-N146 WeakPolarHBondContact CG1-OD1 3.24Å; I43-N146 PolarHBondContact N-OD1 3.24Å; I43-N146 PolarHBondContact O-ND2 3.19Å; K142-N146 PolarHBondContact O-N 2.9Å; K142-N146 VanDerWaalsContact O-N 3.1Å; K142-N146 PolarHBondContact O-ND2 2.93Å; A144-N146 VanDerWaalsContact C-N 3.3Å; A144-N146 PolarHBondContact O-N 2.85Å
147	K	89.8	Confident	87.4	Confident	96 Å²	96	39.7 Å²	39.7	42%	0.417	21%	0.211	S	C	.	.	S	Bend	trans	-73.1	140.2	173	-76.3	171.6	-170.9	174.9	0	110	D143 A144 M145 R149	D143-K147 WeakPolarHBondContact O-CG 3.43Å; D143-K147 PolarHBondContact O-N 3.01Å; A144-K147 PolarHBondContact O-N 3.24Å; M145-K147 VanDerWaalsContact C-N 3.32Å; K147-R149 PolarHBondContact O-N 2.67Å
148	P	90.3	Very high	84.9	Confident	36 Å²	36	43.9 Å²	43.9	23%	0.234	24%	0.235	C	C	.	.			trans	-52.3	135	171.3	-23.6	30.7	0	0	0	110.7	G296 Q297 F299 I325 Y355	P148-G296 WeakPolarHBondContact CG-O 3.47Å; P148-Q297 CarbonylContact C-O 3.58Å; P148-Q297 VanDerWaalsContact CA-O 3.3Å; P148-Q297 WeakPolarHBondContact CA-O 3.36Å; P148-F299 HydrophobicContact CB-CD1 4.16Å; P148-I325 HydrophobicContact CB-CD1 4.47Å; P148-Y355 WeakPolarHBondContact O-CB 3.47Å; P148-Y355 PolarHBondContact O-N 3.05Å
149	R	92.3	Very high	82.2	Confident	6 Å²	6	46 Å²	46	2%	0.023	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.7	-174.6	63.5	168.3	-66.1	164.2	11.8	112.2	F52 Y56 K147 D154 Q297 F299 P353	F52-R149 VanDerWaalsContact CZ-NH1 3.26Å; Y56-R149 VanDerWaalsContact CD1-NH2 3.28Å; Y56-R149 VanDerWaalsContact CE1-CZ 3.41Å; Y56-R149 VanDerWaalsContact CG-CZ 3.49Å; Y56-R149 VanDerWaalsContact CG-NH1 3.33Å; Y56-R149 VanDerWaalsContact CZ-CD 3.47Å; Y56-R149 VanDerWaalsContact CZ-NE 3.26Å; Y56-R149 WeakPolarHBondContact OH-CD 3.27Å; K147-R149 PolarHBondContact O-N 2.67Å; R149-D154 IonicContact CZ-OD2 3.33Å; R149-D154 IonicContact NH1-OD2 2.94Å; R149-D154 PolarHBondContact NH1-OD2 3.3Å; R149-D154 VanDerWaalsContact NH1-OD2 3.16Å; R149-D154 IonicContact NH2-OD1 2.93Å; R149-D154 PolarHBondContact NH2-OD1 3.15Å; R149-D154 IonicContact NH2-OD2 3.69Å; R149-D154 PolarHBondContact NH2-OD2 2.81Å; R149-Q297 PolarHBondContact N-O 2.69Å; R149-F299 WeakPolarHBondContact O-CD1 3.42Å; R149-F299 WeakPolarHBondContact O-CE1 3.34Å; R149-F299 PolarHBondContact O-N 2.92Å; R149-P353 CarbonylContact C-O 3.59Å; R149-P353 WeakPolarHBondContact CA-O 3.4Å; R149-P353 WeakPolarHBondContact CB-O 3.24Å
150	C	92.3	Very high	79.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.4	169.1	-179.8	0	0	0	0	110	Y56 V152 F299 H333 E334 P353	Y56-C150 VanDerWaalsContact CE1-O 3.3Å; Y56-C150 WeakPolarHBondContact CE1-O 3.31Å; C150-V152 VanDerWaalsContact C-N 3.29Å; C150-V152 VanDerWaalsContact SG-CB 3.59Å; C150-V152 VanDerWaalsContact SG-CG2 3.53Å; C150-V152 PolarHBondContact SG-N 3.05Å; C150-F299 HydrophobicContact CB-CE2 4.13Å; C150-F299 HydrophobicContact CB-CZ 4Å; C150-H333 VanDerWaalsContact CB-NE2 3.3Å; C150-H333 WeakPolarHBondContact CB-NE2 3.43Å; C150-E334 PolarHBondContact SG-OE1 3.13Å; C150-P353 PolarHBondContact N-O 3.44Å
151	G	89.9	Confident	75.9	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.021	27%	0.265	C	S	.	.	S	Bend	trans	-78.7	-5.9	177.1	0	0	0	0	0	114.7	Q290 A300	G151-Q290 PolarHBondContact O-NE2 2.76Å; G151-A300 PolarHBondContact N-O 3.4Å
152	V	87.7	Confident	72.8	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.042	30%	0.298	C	S	.	.	S	Bend	trans	-69.7	134.3	175.5	177.2	0	0	0	0	109.7	C150 A302 H343	C150-V152 VanDerWaalsContact C-N 3.29Å; C150-V152 VanDerWaalsContact SG-CB 3.59Å; C150-V152 VanDerWaalsContact SG-CG2 3.53Å; C150-V152 PolarHBondContact SG-N 3.05Å; V152-A302 HydrophobicContact CG2-CB 4.44Å; V152-A302 WeakPolarHBondContact CG2-O 3.32Å; V152-H343 PolarHBondContact O-CE1 3.27Å
153	P	86.4	Confident	69.7	Low	24 Å²	24	58.5 Å²	58.5	16%	0.156	32%	0.319	C	S	.	.			trans	-61.1	146.1	175.7	-24.7	34.7	0	0	0	113.2	T62	T62-P153 WeakPolarHBondContact OG1-CB 3.46Å; T62-P153 WeakPolarHBondContact OG1-CG 3.36Å
154	D	84.3	Confident	66.4	Low	26 Å²	26	60.4 Å²	60.4	14%	0.139	33%	0.333	C	S	.	.	S	Bend	trans	-78	-24.2	-179.2	-68.7	-44.9	0	0	0	113.1	Y56 F58 R149 H343 Y345	Y56-D154 WeakPolarHBondContact O-CB 3.18Å; Y56-D154 PolarHBondContact O-N 3.29Å; F58-D154 HydrophobicContact CE2-CB 4.05Å; F58-D154 WeakPolarHBondContact CE2-OD2 3.3Å; F58-D154 HydrophobicContact CZ-CB 4.01Å; F58-D154 WeakPolarHBondContact CZ-OD2 3.39Å; R149-D154 IonicContact CZ-OD2 3.33Å; R149-D154 IonicContact NH1-OD2 2.94Å; R149-D154 PolarHBondContact NH1-OD2 3.3Å; R149-D154 VanDerWaalsContact NH1-OD2 3.16Å; R149-D154 IonicContact NH2-OD1 2.93Å; R149-D154 PolarHBondContact NH2-OD1 3.15Å; R149-D154 IonicContact NH2-OD2 3.69Å; R149-D154 PolarHBondContact NH2-OD2 2.81Å; D154-H343 IonicContact OD1-CE1 2.73Å; D154-H343 PolarHBondContact OD1-CE1 3.01Å; D154-H343 IonicContact OD1-CG 3.13Å; D154-H343 IonicContact OD1-ND1 3.87Å; D154-H343 PolarHBondContact OD1-ND1 2.92Å; D154-Y345 WeakPolarHBondContact CB-OH 3.46Å; D154-Y345 PolarHBondContact OD1-OH 2.84Å; D154-Y345 PolarHBondContact OD2-OH 2.87Å
155	K	75.5	Confident	63.2	Low	61 Å²	61	65.7 Å²	65.7	27%	0.265	37%	0.365	S	S	.	.			trans	-133.4	123.1	-177.4	-65.5	-175.9	175.1	-170.1	0	111.7	Y56 G57 T62 E124	Y56-K155 PolarHBondContact O-N 3.4Å; G57-K155 WeakPolarHBondContact O-CD 3.38Å; T62-K155 PolarHBondContact N-O 2.8Å; T62-K155 PolarHBondContact OG1-O 2.74Å; E124-K155 VanDerWaalsContact CD-CE 3.43Å; E124-K155 WeakPolarHBondContact OE1-CE 3.29Å; E124-K155 IonicContact OE1-NZ 2.65Å; E124-K155 PolarHBondContact OE1-NZ 2.68Å; E124-K155 IonicContact OE2-NZ 3.69Å; E124-K155 PolarHBondContact OE2-NZ 3.47Å
156	E	64.8	Low	60	Low	94 Å²	94	74 Å²	74	44%	0.439	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-109.1	157	177	-61.7	-172.4	-174.1	0	0	111.4	R64	R64-E156 VanDerWaalsContact CD-OE1 3.28Å; R64-E156 WeakPolarHBondContact CD-OE1 3.44Å; R64-E156 IonicContact CZ-OE1 2.82Å; R64-E156 IonicContact NE-OE1 3.63Å; R64-E156 PolarHBondContact NE-OE1 2.97Å; R64-E156 IonicContact NH1-OE1 3.03Å; R64-E156 PolarHBondContact NH1-OE1 3.03Å; R64-E156 IonicContact NH1-OE2 3.84Å
157	T	50.1	Low	56.9	Low	54 Å²	54	77.8 Å²	77.8	33%	0.331	43%	0.433	S	S	.	.			trans	-99.6	133.1	164.3	22.6	0	0	0	0	109.7	P61 Q63	P61-T157 HydrophobicContact CB-CG2 3.4Å; P61-T157 VanDerWaalsContact CB-CG2 3.4Å; P61-T157 HydrophobicContact CG-CG2 3.83Å; Q63-T157 VanDerWaalsContact CG-OG1 3.31Å; Q63-T157 WeakPolarHBondContact CG-OG1 3.46Å
158	D	41.8	Very low	53.8	Low	115 Å²	115	81.8 Å²	81.8	62%	0.615	45%	0.453	S	S	*	.			trans	-57.3	134.6	174.9	-103.5	-36.2	0	0	0	110.9	N160	D158-N160 PolarHBondContact O-N 2.9Å
159	P	35.6	Very low	50.8	Low	91 Å²	91	88.7 Å²	88.7	59%	0.591	49%	0.486	S	S	*	.	S	Bend	trans	-70	0.7	179.9	25.1	-31	0	0	0	113.9	M219	P159-M219 HydrophobicContact CG-CE 4.27Å
160	N	29.2	Very low	47.5	Very low	97 Å²	97	91.8 Å²	91.8	52%	0.519	52%	0.52	S	S	.	.			trans	-154.1	96.5	179.8	-148.7	18.5	0	0	0	113.4	D158 H162	D158-N160 PolarHBondContact O-N 2.9Å; N160-H162 VanDerWaalsContact C-N 3.32Å; N160-H162 PolarHBondContact ND2-CD2 3.21Å; N160-H162 PolarHBondContact ND2-NE2 3.45Å; N160-H162 PolarHBondContact O-N 3.39Å
161	P	28.2	Very low	44.3	Very low	114 Å²	114	95.8 Å²	95.8	74%	0.74	56%	0.561	S	S	*	*			trans	-80.3	80.7	173.4	32.3	-30.9	0	0	0	109.3	V163	P161-V163 VanDerWaalsContact C-N 3.28Å; P161-V163 PolarHBondContact O-N 2.79Å
162	H	29.6	Very low	41.1	Very low	152 Å²	152	101.2 Å²	101.2	70%	0.704	60%	0.599	S	S	*	*			trans	-76.2	93.1	160.2	-75.9	-52.3	0	0	0	108.3	N160 V164	N160-H162 VanDerWaalsContact C-N 3.32Å; N160-H162 PolarHBondContact ND2-CD2 3.21Å; N160-H162 PolarHBondContact ND2-NE2 3.45Å; N160-H162 PolarHBondContact O-N 3.39Å; H162-V164 PolarHBondContact O-N 2.96Å
163	V	28.3	Very low	38.2	Very low	107 Å²	107	109.4 Å²	109.4	65%	0.648	64%	0.637	S	S	*	*			trans	8.1	98.4	151.6	-176.3	0	0	0	0	113.3	P161 T165	P161-V163 VanDerWaalsContact C-N 3.28Å; P161-V163 PolarHBondContact O-N 2.79Å; V163-T165 HydrophobicContact CG1-CG2 3.51Å; V163-T165 PolarHBondContact O-N 3.08Å
164	V	23.8	Very low	35.3	Very low	144 Å²	144	116.6 Å²	116.6	87%	0.873	67%	0.673	S	S	*	*			trans	-70.2	86.6	157.8	-177.5	0	0	0	0	106.2	H162	H162-V164 PolarHBondContact O-N 2.96Å
165	T	23.6	Very low	32.4	Very low	118 Å²	118	123 Å²	123	72%	0.724	70%	0.702	S	S	*	*			trans	-79.8	117.1	163.4	29.2	0	0	0	0	108.2	V163	V163-T165 HydrophobicContact CG1-CG2 3.51Å; V163-T165 PolarHBondContact O-N 3.08Å
166	E	26.1	Very low	29.9	Very low	175 Å²	175	126.8 Å²	126.8	82%	0.818	73%	0.725	S	S	*	*			trans	-45	135.8	167.3	-69.3	175.8	143.9	0	0	111.4	H168	E166-H168 PolarHBondContact O-N 3.33Å
167	S	24.4	Very low	27.9	Very low	114 Å²	114	126.3 Å²	126.3	80%	0.797	73%	0.732	S	S	*	*			trans	-72.9	106.6	178.8	43.3	0	0	0	0	111.2
168	H	25.6	Very low	26.6	Very low	181 Å²	181	133.7 Å²	133.7	84%	0.838	75%	0.754	S	S	*	*			trans	-124.1	139.3	158.9	-81.8	-22.7	0	0	0	112	E166	E166-H168 PolarHBondContact O-N 3.33Å
169	I	27	Very low	25.8	Very low	180 Å²	180	135.9 Å²	135.9	92%	0.923	77%	0.766	S	S	*	*			trans	-68	140.1	-165.8	-65.7	162.1	0	0	0	112.3
170	G	22.8	Very low	25.3	Very low	72 Å²	72	138.2 Å²	138.2	74%	0.742	77%	0.769	S	S	*	*			trans	159.3	109.1	158.6	0	0	0	0	0	113
171	G	24.6	Very low	25.2	Very low	83 Å²	83	139.6 Å²	139.6	86%	0.856	78%	0.781	S	S	*	*			trans	-80.8	149.9	174.3	0	0	0	0	0	113
172	S	23	Very low	25.1	Very low	117 Å²	117	143.5 Å²	143.5	82%	0.818	79%	0.787	S	S	*	*			trans	-170	151.2	131.8	73.4	0	0	0	0	110.3
173	E	27	Very low	24.9	Very low	179 Å²	179	143.8 Å²	143.8	84%	0.836	79%	0.793	S	S	*	*			trans	-44.6	146.7	169	-61.5	162.3	146.8	0	0	113.7
174	L	25.1	Very low	25.1	Very low	174 Å²	174	148.2 Å²	148.2	91%	0.911	81%	0.807	S	S	*	*				-174.2	129	125	-99.9	150.6	0	0	0	112.1
175	E	23.4	Very low	25.3	Very low	162 Å²	162	146.1 Å²	146.1	76%	0.757	81%	0.805	S	S	*	*			trans	-68.7	153.9	170.2	-89.3	-179.9	142.1	0	0	113.9
176	N	25	Very low	25.6	Very low	139 Å²	139	148.5 Å²	148.5	74%	0.743	81%	0.813	S	S	*	*			trans	75.7	147.1	140.1	-69.7	-26	0	0	0	122.8
177	S	21.9	Very low	25.8	Very low	85 Å²	85	143 Å²	143	59%	0.594	80%	0.803	S	S	*	*			trans	83.2	126.8	166.9	-143.6	0	0	0	0	113.3
178	W	22.3	Very low	26.4	Very low	209 Å²	209	145.1 Å²	145.1	79%	0.792	81%	0.806	S	S	*	*				-147.3	127.8	52.7	-74	81	0	0	0	113.4	E180	W178-E180 HydrophobicContact CE3-CG 4.23Å
179	N	24.4	Very low	26.7	Very low	161 Å²	161	143.5 Å²	143.5	86%	0.861	80%	0.803	S	S	*	*			trans	-71.6	124.9	146.1	-81	-26.8	0	0	0	107.3
180	E	26.2	Very low	27.2	Very low	139 Å²	139	138.3 Å²	138.3	65%	0.65	78%	0.78	S	S	*	*			trans	-129.8	111.3	156.2	-78.2	-166.2	158.8	0	0	110.1	W178	W178-E180 HydrophobicContact CE3-CG 4.23Å
181	T	27.1	Very low	27.9	Very low	127 Å²	127	142.8 Å²	142.8	78%	0.779	78%	0.782	S	S	*	*			trans	-46	132.1	155	31	0	0	0	0	112.1
182	F	25.7	Very low	28.5	Very low	195 Å²	195	142.7 Å²	142.7	86%	0.855	77%	0.768	S	S	*	*			trans	-123.2	120.5	156.1	-91.2	-84.5	0	0	0	109.4
183	D	26.8	Very low	29.1	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	74%	0.741	S	S	*	*			trans	-69.7	158.6	-178.6	-78.4	-48.5	0	0	0	113.8
184	E	31.6	Very low	29.7	Very low	201 Å²	201	134.3 Å²	134.3	94%	0.939	72%	0.722	S	S	*	*			trans	-64.5	130.3	176.2	-72.1	173.2	132.1	0	0	114.6
185	A	27.7	Very low	30.4	Very low	100 Å²	100	130.5 Å²	130.5	83%	0.826	70%	0.702	S	S	*	*			trans	-175.7	136.5	139.4	0	0	0	0	0	105.4
186	D	29.8	Very low	31.2	Very low	168 Å²	168	131.5 Å²	131.5	90%	0.898	70%	0.699	S	S	*	*			cis	-163.6	170.8	30.3	-161.1	-4.9	0	0	0	108.4
187	G	30.1	Very low	31.7	Very low	59 Å²	59	133.6 Å²	133.6	61%	0.608	70%	0.697	S	S	*	*			trans	-48	148	-165.3	0	0	0	0	0	120.8
188	N	37.9	Very low	32.4	Very low	158 Å²	158	137.7 Å²	137.7	85%	0.845	70%	0.699	S	S	*	*			trans	62.3	85.4	145.9	-74.3	-11.7	0	0	0	118.5
189	N	31.8	Very low	33.2	Very low	147 Å²	147	133 Å²	133	79%	0.786	69%	0.686	S	S	*	*			trans	-157.6	108.1	131.2	-105	-28	0	0	0	113.8
190	T	38.1	Very low	33.7	Very low	72 Å²	72	129.9 Å²	129.9	44%	0.442	67%	0.669	S	S	.	*			trans	72.3	96.5	145.3	66.6	0	0	0	0	119.3	S192 S193	T190-S192 PolarHBondContact O-N 3.44Å; T190-S192 VanDerWaalsContact O-N 3.12Å; T190-S193 PolarHBondContact O-N 2.76Å; T190-S193 PolarHBondContact O-OG 2.73Å; T190-S193 WeakPolarHBondContact OG1-CB 3.13Å; T190-S193 PolarHBondContact OG1-OG 2.71Å
191	E	35.5	Very low	34.1	Very low	166 Å²	166	126 Å²	126	78%	0.776	66%	0.661	S	S	*	*	H	α-helix	trans	-49.8	-27.7	155.3	-146.7	172.7	-168	0	0	112.2	N195	E191-N195 PolarHBondContact O-N 2.97Å; E191-N195 VanDerWaalsContact O-N 3.1Å
192	S	37.6	Very low	34.5	Very low	80 Å²	80	123 Å²	123	56%	0.559	64%	0.64	S	S	*	*	H	α-helix	trans	-61	-39.8	169.9	161.7	0	0	0	0	113.7	T190 R196	T190-S192 PolarHBondContact O-N 3.44Å; T190-S192 VanDerWaalsContact O-N 3.12Å; S192-R196 WeakPolarHBondContact O-CB 3.32Å; S192-R196 PolarHBondContact O-N 3.16Å
193	S	35.6	Very low	35.1	Very low	38 Å²	38	117.8 Å²	117.8	27%	0.266	62%	0.62	S	S	.	*	H	α-helix	trans	-73.5	-35	-179	70.5	0	0	0	0	112.5	T190 R196 R197	T190-S193 PolarHBondContact O-N 2.76Å; T190-S193 PolarHBondContact O-OG 2.73Å; T190-S193 WeakPolarHBondContact OG1-CB 3.13Å; T190-S193 PolarHBondContact OG1-OG 2.71Å; S193-R196 PolarHBondContact O-N 3.07Å; S193-R197 WeakPolarHBondContact O-CB 3.25Å; S193-R197 WeakPolarHBondContact O-CG 3.25Å; S193-R197 PolarHBondContact O-N 3.03Å
194	I	40.7	Very low	35.9	Very low	83 Å²	83	114.3 Å²	114.3	43%	0.426	61%	0.605	S	S	.	*	H	α-helix	trans	-69.9	-42.6	176.6	-63	172.1	0	0	0	110.1	R197 R198	I194-R197 PolarHBondContact O-N 2.99Å; I194-R198 WeakPolarHBondContact O-CG 2.96Å; I194-R198 PolarHBondContact O-N 3.24Å
195	N	38.9	Very low	36.1	Very low	94 Å²	94	107.1 Å²	107.1	50%	0.503	58%	0.576	S	S	.	*	H	α-helix	trans	-66.7	-37	174.2	-78.8	-18.7	0	0	0	112.3	E191 R198 H199	E191-N195 PolarHBondContact O-N 2.97Å; E191-N195 VanDerWaalsContact O-N 3.1Å; N195-R198 PolarHBondContact O-N 3.01Å; N195-H199 VanDerWaalsContact O-CB 3.24Å; N195-H199 WeakPolarHBondContact O-CB 3.37Å; N195-H199 PolarHBondContact O-N 3.03Å
196	R	40.2	Very low	36.9	Very low	182 Å²	182	107.5 Å²	107.5	69%	0.687	56%	0.559	S	S	*	*	H	α-helix	trans	-63	-43.9	171.7	-126.4	178.6	-155.5	174.9	5.8	111.7	S192 S193 H199 L200	S192-R196 WeakPolarHBondContact O-CB 3.32Å; S192-R196 PolarHBondContact O-N 3.16Å; S193-R196 PolarHBondContact O-N 3.07Å; R196-H199 PolarHBondContact O-N 3.03Å; R196-L200 WeakPolarHBondContact O-CB 3.32Å; R196-L200 WeakPolarHBondContact O-CD1 3.12Å; R196-L200 VanDerWaalsContact O-CG 3.24Å; R196-L200 WeakPolarHBondContact O-CG 3.09Å; R196-L200 PolarHBondContact O-N 3.04Å
197	R	35.8	Very low	37.7	Very low	183 Å²	183	104.3 Å²	104.3	69%	0.691	54%	0.537	S	S	*	.	H	α-helix	trans	-65	-39.8	177.2	-78.7	-179.1	-174.1	172.9	3.5	112.3	S193 I194 A201	S193-R197 WeakPolarHBondContact O-CB 3.25Å; S193-R197 WeakPolarHBondContact O-CG 3.25Å; S193-R197 PolarHBondContact O-N 3.03Å; I194-R197 PolarHBondContact O-N 2.99Å; R197-A201 WeakPolarHBondContact O-CB 3.31Å; R197-A201 PolarHBondContact O-N 3.37Å
198	R	35.8	Very low	38.5	Very low	171 Å²	171	111 Å²	111	65%	0.645	54%	0.544	S	S	*	.	H	α-helix	trans	-68.5	-39.8	174.5	-73.3	-179.8	-172.1	158.5	1.6	112.3	I194 N195 A201 D202	I194-R198 WeakPolarHBondContact O-CG 2.96Å; I194-R198 PolarHBondContact O-N 3.24Å; N195-R198 PolarHBondContact O-N 3.01Å; R198-A201 PolarHBondContact O-N 2.99Å; R198-D202 VanDerWaalsContact O-CB 3.31Å; R198-D202 WeakPolarHBondContact O-CB 3.5Å; R198-D202 PolarHBondContact O-N 3.18Å
199	H	38.8	Very low	39	Very low	110 Å²	110	110.7 Å²	110.7	51%	0.509	54%	0.538	S	S	.	.	H	α-helix	trans	-68	-41.7	175.5	-174.3	61.7	0	0	0	111.8	N195 R196 D202 L203	N195-H199 VanDerWaalsContact O-CB 3.24Å; N195-H199 WeakPolarHBondContact O-CB 3.37Å; N195-H199 PolarHBondContact O-N 3.03Å; R196-H199 PolarHBondContact O-N 3.03Å; H199-D202 PolarHBondContact O-N 3.42Å; H199-L203 WeakPolarHBondContact O-CB 3.28Å; H199-L203 VanDerWaalsContact O-CG 3.23Å; H199-L203 WeakPolarHBondContact O-CG 3.37Å; H199-L203 PolarHBondContact O-N 2.99Å
200	L	36.3	Very low	40	Very low	97 Å²	97	106.5 Å²	106.5	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-42.3	171.5	-78.5	159.2	0	0	0	111.2	R196 L203 V204	R196-L200 WeakPolarHBondContact O-CB 3.32Å; R196-L200 WeakPolarHBondContact O-CD1 3.12Å; R196-L200 VanDerWaalsContact O-CG 3.24Å; R196-L200 WeakPolarHBondContact O-CG 3.09Å; R196-L200 PolarHBondContact O-N 3.04Å; L200-L203 PolarHBondContact O-N 3.1Å; L200-V204 VanDerWaalsContact O-CB 3.28Å; L200-V204 WeakPolarHBondContact O-CB 3.39Å; L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 2.8Å
201	A	34.7	Very low	40.8	Very low	58 Å²	58	105.6 Å²	105.6	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-37.1	175.2	0	0	0	0	0	112.1	R197 R198 S205	R197-A201 WeakPolarHBondContact O-CB 3.31Å; R197-A201 PolarHBondContact O-N 3.37Å; R198-A201 PolarHBondContact O-N 2.99Å; A201-S205 VanDerWaalsContact O-CB 3.23Å; A201-S205 WeakPolarHBondContact O-CB 3.36Å; A201-S205 PolarHBondContact O-N 3.05Å
202	D	35.3	Very low	41.6	Very low	64 Å²	64	103.2 Å²	103.2	34%	0.342	49%	0.494	S	S	.	.	H	α-helix	trans	-67	-45.7	174.4	-176.3	51	0	0	0	111.2	R198 H199 V204 S205 K206	R198-D202 VanDerWaalsContact O-CB 3.31Å; R198-D202 WeakPolarHBondContact O-CB 3.5Å; R198-D202 PolarHBondContact O-N 3.18Å; H199-D202 PolarHBondContact O-N 3.42Å; D202-V204 PolarHBondContact O-N 3.25Å; D202-S205 PolarHBondContact O-N 3.32Å; D202-S205 PolarHBondContact O-OG 3.11Å; D202-K206 WeakPolarHBondContact O-CB 3.47Å; D202-K206 VanDerWaalsContact O-CG 3.31Å; D202-K206 WeakPolarHBondContact O-CG 3.46Å; D202-K206 PolarHBondContact O-N 3.41Å; D202-K206 IonicContact OD1-NZ 2.74Å; D202-K206 VanDerWaalsContact OD2-CE 3.26Å; D202-K206 WeakPolarHBondContact OD2-CE 3.35Å; D202-K206 IonicContact OD2-NZ 3.85Å; D202-K206 PolarHBondContact OD2-NZ 2.87Å
203	L	38.7	Very low	42.2	Very low	84 Å²	84	104.9 Å²	104.9	44%	0.44	50%	0.496	S	S	.	.	H	α-helix	trans	-60.8	-43.1	173.6	-72.6	169.7	0	0	0	112	H199 L200 K207	H199-L203 WeakPolarHBondContact O-CB 3.28Å; H199-L203 VanDerWaalsContact O-CG 3.23Å; H199-L203 WeakPolarHBondContact O-CG 3.37Å; H199-L203 PolarHBondContact O-N 2.99Å; L200-L203 PolarHBondContact O-N 3.1Å; L203-K207 VanDerWaalsContact O-CB 3.25Å; L203-K207 WeakPolarHBondContact O-CB 3.43Å; L203-K207 PolarHBondContact O-N 3.39Å
204	V	41.9	Very low	43	Very low	86 Å²	86	104.7 Å²	104.7	52%	0.521	49%	0.493	S	S	.	.	H	α-helix	trans	-67.2	-38.9	175.4	171	0	0	0	0	110.8	L200 D202 K207 R208	L200-V204 VanDerWaalsContact O-CB 3.28Å; L200-V204 WeakPolarHBondContact O-CB 3.39Å; L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 2.8Å; D202-V204 PolarHBondContact O-N 3.25Å; V204-K207 PolarHBondContact O-N 3.1Å; V204-R208 WeakPolarHBondContact O-CB 3.49Å; V204-R208 PolarHBondContact O-N 3.46Å
205	S	37.3	Very low	43.2	Very low	49 Å²	49	110.9 Å²	110.9	34%	0.343	52%	0.52	S	S	.	.	H	α-helix	trans	-68.4	-39.4	177.1	87.5	0	0	0	0	112.3	A201 D202 K207 R208 Q209	A201-S205 VanDerWaalsContact O-CB 3.23Å; A201-S205 WeakPolarHBondContact O-CB 3.36Å; A201-S205 PolarHBondContact O-N 3.05Å; D202-S205 PolarHBondContact O-N 3.32Å; D202-S205 PolarHBondContact O-OG 3.11Å; S205-K207 VanDerWaalsContact C-N 3.35Å; S205-R208 PolarHBondContact O-N 3Å; S205-Q209 WeakPolarHBondContact O-CB 3.32Å; S205-Q209 WeakPolarHBondContact O-CG 3.41Å; S205-Q209 PolarHBondContact O-N 2.98Å
206	K	45	Very low	43.5	Very low	108 Å²	108	109.6 Å²	109.6	47%	0.47	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-39.1	173.4	-75.1	173.1	178.2	163.7	0	111.2	D202 Q209 K210	D202-K206 WeakPolarHBondContact O-CB 3.47Å; D202-K206 VanDerWaalsContact O-CG 3.31Å; D202-K206 WeakPolarHBondContact O-CG 3.46Å; D202-K206 PolarHBondContact O-N 3.41Å; D202-K206 IonicContact OD1-NZ 2.74Å; D202-K206 VanDerWaalsContact OD2-CE 3.26Å; D202-K206 WeakPolarHBondContact OD2-CE 3.35Å; D202-K206 IonicContact OD2-NZ 3.85Å; D202-K206 PolarHBondContact OD2-NZ 2.87Å; K206-Q209 PolarHBondContact O-N 3.09Å; K206-K210 PolarHBondContact O-N 3.23Å; K206-K210 VanDerWaalsContact O-N 3.15Å
207	K	46.2	Very low	44	Very low	101 Å²	101	102.6 Å²	102.6	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-65.7	-39.3	174.1	-162.7	176.3	-173.9	-167.1	0	111	L203 V204 S205 R211	L203-K207 VanDerWaalsContact O-CB 3.25Å; L203-K207 WeakPolarHBondContact O-CB 3.43Å; L203-K207 PolarHBondContact O-N 3.39Å; V204-K207 PolarHBondContact O-N 3.1Å; S205-K207 VanDerWaalsContact C-N 3.35Å; K207-R211 VanDerWaalsContact CE-CZ 3.46Å; K207-R211 WeakPolarHBondContact O-CD 3.42Å; K207-R211 VanDerWaalsContact O-CG 3.25Å; K207-R211 WeakPolarHBondContact O-CG 3.1Å; K207-R211 PolarHBondContact O-NE 3.46Å
208	R	47.2	Very low	45	Very low	200 Å²	200	99.6 Å²	99.6	76%	0.755	49%	0.493	S	S	*	.	H	α-helix	trans	-68	-41.5	173.6	-122.6	176.3	176.4	173.9	-1.2	112.5	V204 S205 K210 R211	V204-R208 WeakPolarHBondContact O-CB 3.49Å; V204-R208 PolarHBondContact O-N 3.46Å; S205-R208 PolarHBondContact O-N 3Å; R208-K210 VanDerWaalsContact C-N 3.28Å; R208-K210 PolarHBondContact O-N 3.45Å; R208-R211 PolarHBondContact O-N 2.84Å
209	Q	48.3	Very low	46.6	Very low	151 Å²	151	94.1 Å²	94.1	71%	0.706	48%	0.475	S	S	*	.	H	α-helix	trans	-65.8	-26.6	176.9	-82.7	-177.6	-15.2	0	0	113.6	S205 K206 R211 S222	S205-Q209 WeakPolarHBondContact O-CB 3.32Å; S205-Q209 WeakPolarHBondContact O-CG 3.41Å; S205-Q209 PolarHBondContact O-N 2.98Å; K206-Q209 PolarHBondContact O-N 3.09Å; Q209-R211 PolarHBondContact O-N 2.89Å; Q209-S222 PolarHBondContact O-OG 3.25Å
210	K	51.3	Low	48.6	Very low	60 Å²	60	89.2 Å²	89.2	26%	0.261	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.3	172	-76.8	-165.1	-176.9	-159	0	112.8	K206 R208 S222 D275	K206-K210 PolarHBondContact O-N 3.23Å; K206-K210 VanDerWaalsContact O-N 3.15Å; R208-K210 VanDerWaalsContact C-N 3.28Å; R208-K210 PolarHBondContact O-N 3.45Å; K210-S222 PolarHBondContact O-N 3.1Å; K210-S222 PolarHBondContact O-OG 3.21Å; K210-D275 IonicContact NZ-OD1 2.73Å; K210-D275 PolarHBondContact NZ-OD1 3.47Å
211	R	55.1	Low	50.9	Low	52 Å²	52	85.3 Å²	85.3	20%	0.196	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.5	-159.6	-57.5	169.7	-167.4	-149	-19.6	112	K207 R208 Q209 L305	K207-R211 VanDerWaalsContact CE-CZ 3.46Å; K207-R211 WeakPolarHBondContact O-CD 3.42Å; K207-R211 VanDerWaalsContact O-CG 3.25Å; K207-R211 WeakPolarHBondContact O-CG 3.1Å; K207-R211 PolarHBondContact O-NE 3.46Å; R208-R211 PolarHBondContact O-N 2.84Å; Q209-R211 PolarHBondContact O-N 2.89Å; R211-L305 HydrophobicContact CG-CD1 3.57Å
212	D	52.3	Low	53.3	Low	116 Å²	116	85.5 Å²	85.5	62%	0.62	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	145.8	166.7	-147.5	-6.4	0	0	0	110.7	A220	D212-A220 PolarHBondContact N-O 3.25Å; D212-A220 PolarHBondContact O-N 3.37Å
213	L	50.3	Low	55.8	Low	115 Å²	115	86.5 Å²	86.5	60%	0.602	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.1	171.6	-85.6	158.9	0	0	0	107.1	M219	L213-M219 HydrophobicContact CD2-CG 3.88Å; L213-M219 HydrophobicContact CG-CG 4.32Å
214	T	53	Low	58.2	Low	34 Å²	34	87.4 Å²	87.4	21%	0.209	44%	0.437	C	S	.	.			trans	-73.8	159.3	178	63.2	0	0	0	0	110.9	S216 G217 Y218 A220 L375	T214-S216 PolarHBondContact O-N 2.92Å; T214-S216 PolarHBondContact OG1-OG 2.84Å; T214-G217 PolarHBondContact O-N 3.41Å; T214-Y218 WeakPolarHBondContact CB-O 3.36Å; T214-Y218 PolarHBondContact N-O 3.34Å; T214-Y218 PolarHBondContact OG1-O 3.28Å; T214-A220 HydrophobicContact CG2-CB 3.88Å; T214-L375 HydrophobicContact CG2-CD1 3.99Å
215	E	45.5	Very low	60.6	Low	213 Å²	213	86.6 Å²	86.6	100%	0.995	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.6	176.8	-72.3	-174.9	160.8	0	0	113.1
216	S	44.9	Very low	63.3	Low	68 Å²	68	84.3 Å²	84.3	48%	0.476	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.7	176.3	57.8	0	0	0	0	114.4	T214 Y218	T214-S216 PolarHBondContact O-N 2.92Å; T214-S216 PolarHBondContact OG1-OG 2.84Å; S216-Y218 VanDerWaalsContact C-N 3.28Å; S216-Y218 WeakPolarHBondContact O-CD2 3.21Å; S216-Y218 PolarHBondContact O-N 2.89Å
217	G	50.5	Low	65.7	Low	35 Å²	35	84.4 Å²	84.4	36%	0.361	41%	0.413	S	S	.	.	S	Bend	trans	84	-8	179.3	0	0	0	0	0	114.8	T214	T214-G217 PolarHBondContact O-N 3.41Å
218	Y	57.5	Low	68	Low	120 Å²	120	79.6 Å²	79.6	47%	0.471	39%	0.392	S	S	.	.			trans	-85.5	139.8	177.1	-62.6	-81.1	0	0	0	111.1	T214 S216 P342	T214-Y218 WeakPolarHBondContact CB-O 3.36Å; T214-Y218 PolarHBondContact N-O 3.34Å; T214-Y218 PolarHBondContact OG1-O 3.28Å; S216-Y218 VanDerWaalsContact C-N 3.28Å; S216-Y218 WeakPolarHBondContact O-CD2 3.21Å; S216-Y218 PolarHBondContact O-N 2.89Å; Y218-P342 HydrophobicContact CE1-CB 4.36Å; Y218-P342 HydrophobicContact CE1-CG 4.05Å
219	M	67.9	Low	70.3	Confident	56 Å²	56	71.4 Å²	71.4	28%	0.276	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.7	171.8	-79.4	-174.4	-84.4	0	0	109.9	P159 L213 F304	P159-M219 HydrophobicContact CG-CE 4.27Å; L213-M219 HydrophobicContact CD2-CG 3.88Å; L213-M219 HydrophobicContact CG-CG 4.32Å; M219-F304 HydrophobicContact CB-CD1 4.5Å; M219-F304 HydrophobicContact CB-CE1 3.24Å; M219-F304 HydrophobicContact CB-CE2 4.3Å; M219-F304 HydrophobicContact CB-CZ 3.14Å; M219-F304 HydrophobicContact CE-CD1 3.87Å; M219-F304 HydrophobicContact CE-CE1 3.6Å; M219-F304 HydrophobicContact CG-CE1 3.98Å; M219-F304 HydrophobicContact CG-CZ 4.33Å; M219-F304 VanDerWaalsContact O-CZ 3.28Å; M219-F304 WeakPolarHBondContact O-CZ 3.04Å; M219-F304 HydrophobicContact SD-CD1 4.3Å; M219-F304 HydrophobicContact SD-CE1 3.59Å; M219-F304 VanDerWaalsContact SD-CE1 3.59Å; M219-F304 HydrophobicContact SD-CZ 4.49Å
220	A	81.3	Confident	72.5	Confident	6 Å²	6	64.7 Å²	64.7	5%	0.05	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	161.3	177.8	0	0	0	0	0	111.4	D212 T214 L375 Y376	D212-A220 PolarHBondContact N-O 3.25Å; D212-A220 PolarHBondContact O-N 3.37Å; T214-A220 HydrophobicContact CG2-CB 3.88Å; A220-L375 HydrophobicContact CB-CD1 3.93Å; A220-L375 HydrophobicContact CB-CD2 4.44Å; A220-L375 HydrophobicContact CB-CG 3.83Å; A220-Y376 HydrophobicContact CB-CE1 3.98Å
221	F	85.5	Confident	74.5	Confident	15 Å²	15	62.9 Å²	62.9	7%	0.066	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.4	167.7	-70.8	-82.6	0	0	0	110.1	K223 L226 D275 I276 L305 V338 L339 Y376	F221-K223 VanDerWaalsContact C-N 3.29Å; F221-L226 HydrophobicContact CB-CD1 4.31Å; F221-L226 HydrophobicContact CB-CD2 3.96Å; F221-L226 HydrophobicContact CD1-CD2 3.69Å; F221-L226 HydrophobicContact CD2-CD1 3.63Å; F221-L226 HydrophobicContact CD2-CD2 4.25Å; F221-L226 HydrophobicContact CE1-CD2 4.19Å; F221-L226 HydrophobicContact CE2-CD1 3.99Å; F221-L226 HydrophobicContact CG-CD1 3.93Å; F221-L226 HydrophobicContact CG-CD2 3.72Å; F221-D275 HydrophobicContact CE1-CB 4.43Å; F221-I276 HydrophobicContact CZ-CG1 4.25Å; F221-L305 HydrophobicContact CD1-CD2 3.92Å; F221-L305 HydrophobicContact CD2-CD2 3.97Å; F221-L305 HydrophobicContact CE1-CD2 3.59Å; F221-L305 HydrophobicContact CE2-CD2 3.63Å; F221-L305 HydrophobicContact CG-CD2 4.1Å; F221-L305 HydrophobicContact CZ-CB 4.47Å; F221-L305 HydrophobicContact CZ-CD2 3.44Å; F221-L305 VanDerWaalsContact CZ-CD2 3.44Å; F221-V338 HydrophobicContact CE2-CG1 3.95Å; F221-V338 VanDerWaalsContact CE2-O 3.28Å; F221-V338 WeakPolarHBondContact CE2-O 3.28Å; F221-V338 HydrophobicContact CZ-CG1 4.02Å; F221-L339 HydrophobicContact CD2-CD2 4.17Å; F221-L339 HydrophobicContact CE2-CD2 4.2Å; F221-Y376 HydrophobicContact CB-CE1 4.01Å; F221-Y376 WeakPolarHBondContact CD2-OH 3.37Å; F221-Y376 PolarHBondContact N-OH 3.07Å; F221-Y376 WeakPolarHBondContact O-CE1 3.15Å
222	S	84.6	Confident	76	Confident	62 Å²	62	62.4 Å²	62.4	43%	0.434	33%	0.334	S	S	.	.	S	Bend	trans	-79.4	-11	173.8	58.3	0	0	0	0	113.9	Q209 K210	Q209-S222 PolarHBondContact O-OG 3.25Å; K210-S222 PolarHBondContact O-N 3.1Å; K210-S222 PolarHBondContact O-OG 3.21Å
223	K	87.7	Confident	77.6	Confident	86 Å²	86	64.4 Å²	64.4	37%	0.374	34%	0.34	S	S	.	.			trans	-104.3	144.5	-177.9	-60.7	179.8	-174	172.3	0	110.4	F221 L226 D275	F221-K223 VanDerWaalsContact C-N 3.29Å; K223-L226 HydrophobicContact CB-CD2 4.26Å; K223-D275 IonicContact NZ-OD1 2.73Å
224	D	88.9	Confident	79.4	Confident	103 Å²	103	59 Å²	59	55%	0.551	31%	0.312	S	S	*	.	S	Bend	trans	-84.2	-29.4	175.1	-54.6	-34.9	0	0	0	112.5	L261 E262	D224-L261 CarbonylContact O-C 3.46Å; D224-L261 WeakPolarHBondContact O-CA 3.28Å; D224-E262 PolarHBondContact O-N 2.65Å
225	V	93.1	Very high	81.3	Confident	69 Å²	69	62 Å²	62	42%	0.418	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.8	178.2	-173.6	0	0	0	0	110	E262 V264	V225-E262 CarbonylContact C-O 3.59Å; V225-E262 WeakPolarHBondContact CA-O 3.38Å; V225-E262 HydrophobicContact CG2-CB 4.26Å; V225-V264 HydrophobicContact CG1-CG2 3.82Å
226	L	93.9	Very high	83.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	129	-177.7	-59.7	177.9	0	0	0	110.8	F221 K223 L261 E262 F263 V264 D275 I276 L339	F221-L226 HydrophobicContact CB-CD1 4.31Å; F221-L226 HydrophobicContact CB-CD2 3.96Å; F221-L226 HydrophobicContact CD1-CD2 3.69Å; F221-L226 HydrophobicContact CD2-CD1 3.63Å; F221-L226 HydrophobicContact CD2-CD2 4.25Å; F221-L226 HydrophobicContact CE1-CD2 4.19Å; F221-L226 HydrophobicContact CE2-CD1 3.99Å; F221-L226 HydrophobicContact CG-CD1 3.93Å; F221-L226 HydrophobicContact CG-CD2 3.72Å; K223-L226 HydrophobicContact CB-CD2 4.26Å; L226-L261 HydrophobicContact CD1-CD1 4.21Å; L226-L261 HydrophobicContact CD1-CD2 4.41Å; L226-E262 PolarHBondContact N-O 3.34Å; L226-F263 HydrophobicContact CB-CD1 3.98Å; L226-F263 HydrophobicContact CB-CE1 4.15Å; L226-F263 HydrophobicContact CD1-CD1 4.44Å; L226-F263 HydrophobicContact CD1-CE1 3.77Å; L226-F263 HydrophobicContact CD1-CZ 4.45Å; L226-F263 WeakPolarHBondContact O-CA 3.26Å; L226-V264 PolarHBondContact O-N 3.14Å; L226-D275 HydrophobicContact CD2-CB 4.32Å; L226-I276 HydrophobicContact CD1-CD1 4.39Å; L226-L339 HydrophobicContact CD1-CD2 3.92Å
227	R	94.7	Very high	85.5	Confident	110 Å²	110	53.3 Å²	53.3	42%	0.415	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	131.9	176.1	-70.7	-177.8	168	103.7	3.6	110.9	V264 D266 D275 I276	R227-V264 CarbonylContact C-O 3.59Å; R227-V264 WeakPolarHBondContact CA-O 3.41Å; R227-D266 HydrophobicContact CB-CB 4.23Å; R227-D266 WeakPolarHBondContact CD-OD2 3.41Å; R227-D266 HydrophobicContact CG-CB 4.44Å; R227-D266 IonicContact NE-OD2 3.15Å; R227-D275 PolarHBondContact N-OD2 3.33Å; R227-D275 VanDerWaalsContact N-OD2 3.12Å; R227-D275 WeakPolarHBondContact O-CA 3.3Å; R227-D275 PolarHBondContact O-N 3.13Å; R227-I276 PolarHBondContact O-N 3.35Å
228	W	95.2	Very high	87.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.7	175	71.4	-91.1	0	0	0	113.1	F248 R249 F252 V264 E265 D266 I276 L278	W228-F248 HydrophobicContact CH2-CB 3.88Å; W228-F248 HydrophobicContact CZ3-CB 3.87Å; W228-R249 HydrophobicContact CH2-CG 4.03Å; W228-R249 HydrophobicContact CZ2-CB 4.44Å; W228-R249 HydrophobicContact CZ2-CG 3.58Å; W228-F252 HydrophobicContact CB-CD2 4.35Å; W228-F252 HydrophobicContact CB-CE1 4.25Å; W228-F252 HydrophobicContact CB-CE2 3.56Å; W228-F252 HydrophobicContact CB-CZ 3.5Å; W228-F252 AromaticContact CD1-CD2 3.58Å; W228-F252 AromaticContact CD1-CE2 3.68Å; W228-F252 AromaticContact CD1-CG 3.99Å; W228-F252 AromaticContact CD2-CD2 3.56Å; W228-F252 HydrophobicContact CD2-CD2 3.56Å; W228-F252 AromaticContact CD2-CE2 3.27Å; W228-F252 HydrophobicContact CD2-CE2 3.27Å; W228-F252 HydrophobicContact CD2-CZ 4.18Å; W228-F252 AromaticContact CE2-CD2 3.53Å; W228-F252 AromaticContact CE2-CE2 3.79Å; W228-F252 HydrophobicContact CE3-CD2 4.23Å; W228-F252 AromaticContact CE3-CE2 3.69Å; W228-F252 HydrophobicContact CE3-CE2 3.69Å; W228-F252 AromaticContact CG-CD2 3.6Å; W228-F252 HydrophobicContact CG-CD2 3.6Å; W228-F252 HydrophobicContact CG-CE1 4.39Å; W228-F252 AromaticContact CG-CE2 3.21Å; W228-F252 HydrophobicContact CG-CE2 3.21Å; W228-F252 HydrophobicContact CG-CG 4.34Å; W228-F252 AromaticContact CG-CZ 3.68Å; W228-F252 HydrophobicContact CG-CZ 3.68Å; W228-F252 HydrophobicContact CZ2-CD2 4.16Å; W228-F252 HydrophobicContact CZ3-CE2 4.49Å; W228-F252 AromaticContact NE1-CD2 3.52Å; W228-F252 AromaticContact NE1-CE2 3.98Å; W228-V264 PolarHBondContact N-O 3.01Å; W228-E265 HydrophobicContact CD2-CB 4.33Å; W228-E265 HydrophobicContact CD2-CG 4.3Å; W228-E265 HydrophobicContact CE3-CG 4.33Å; W228-E265 HydrophobicContact CH2-CB 4.11Å; W228-E265 HydrophobicContact CH2-CG 3.63Å; W228-E265 HydrophobicContact CZ2-CB 3.5Å; W228-E265 HydrophobicContact CZ2-CG 3.57Å; W228-E265 HydrophobicContact CZ3-CG 4.02Å; W228-E265 WeakPolarHBondContact O-CA 3.26Å; W228-D266 PolarHBondContact O-N 3.46Å; W228-I276 CarbonylContact C-O 3.44Å; W228-I276 WeakPolarHBondContact CA-O 3.36Å; W228-I276 HydrophobicContact CB-CB 4.02Å; W228-L278 HydrophobicContact CE3-CD1 3.85Å; W228-L278 HydrophobicContact CZ3-CD1 4.11Å
229	R	94.7	Very high	88.7	Confident	29 Å²	29	49.4 Å²	49.4	11%	0.109	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	132.2	176.5	-175.9	176.8	-63.9	170.3	4.4	112.1	I231 D266 W268 S269 V274 I276 K277 L278	R229-I231 PolarHBondContact O-N 3.08Å; R229-D266 WeakPolarHBondContact CB-O 3.47Å; R229-D266 WeakPolarHBondContact CG-O 3.5Å; R229-D266 IonicContact CZ-OD1 2.71Å; R229-D266 PolarHBondContact NE-O 3.26Å; R229-D266 IonicContact NH2-OD1 3.75Å; R229-D266 PolarHBondContact NH2-OD1 3.31Å; R229-W268 VanDerWaalsContact NH2-N 3.17Å; R229-S269 PolarHBondContact NH1-O 2.84Å; R229-S269 PolarHBondContact NH2-O 3.28Å; R229-V274 HydrophobicContact CB-CG1 3.82Å; R229-V274 HydrophobicContact CB-CG2 4.21Å; R229-I276 PolarHBondContact N-O 2.68Å; R229-K277 CarbonylContact O-C 3.5Å; R229-K277 WeakPolarHBondContact O-CA 3.21Å; R229-L278 PolarHBondContact O-N 2.94Å
230	L	95	Very high	89.9	Confident	9 Å²	9	49.6 Å²	49.6	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	113	160.7	-176	63.9	0	0	0	108.9	Y235 Q244 R245 F248 L278 F280	L230-Y235 HydrophobicContact CB-CE1 4.32Å; L230-Y235 HydrophobicContact CD1-CD1 4.49Å; L230-Y235 HydrophobicContact CD2-CD1 3.54Å; L230-Y235 HydrophobicContact CD2-CE1 3.56Å; L230-Y235 HydrophobicContact CG-CD1 3.68Å; L230-Y235 HydrophobicContact CG-CE1 3.58Å; L230-Q244 HydrophobicContact CD2-CB 3.89Å; L230-R245 HydrophobicContact CD2-CG 4.04Å; L230-F248 HydrophobicContact CD1-CD2 4.15Å; L230-F248 HydrophobicContact CD1-CE2 3.54Å; L230-F248 HydrophobicContact CD1-CZ 4.35Å; L230-F248 HydrophobicContact CD2-CD2 4.17Å; L230-F248 HydrophobicContact CD2-CE2 3.97Å; L230-F248 HydrophobicContact CG-CE2 4.27Å; L230-L278 WeakPolarHBondContact CA-O 3.18Å; L230-L278 HydrophobicContact CD1-CB 3.88Å; L230-L278 WeakPolarHBondContact CD1-O 3.37Å; L230-F280 HydrophobicContact CD1-CD2 4.43Å; L230-F280 HydrophobicContact CD1-CE2 4.32Å
231	I	92.1	Very high	90.4	Very high	23 Å²	23	51.7 Å²	51.7	12%	0.118	28%	0.277	C	S	.	.			trans	-73	135.8	-174.1	-34.3	-179.5	0	0	0	109.6	R229 E233 G234 L271 K277 L278	R229-I231 PolarHBondContact O-N 3.08Å; I231-E233 VanDerWaalsContact C-N 3.29Å; I231-E233 WeakPolarHBondContact CG2-OE2 3.34Å; I231-E233 PolarHBondContact O-N 2.91Å; I231-G234 CarbonylContact O-C 3.6Å; I231-G234 PolarHBondContact O-N 2.95Å; I231-L271 HydrophobicContact CG2-CD1 4.33Å; I231-L271 HydrophobicContact CG2-CD2 4.33Å; I231-K277 HydrophobicContact CD1-CB 3.73Å; I231-K277 HydrophobicContact CD1-CD 4.16Å; I231-K277 HydrophobicContact CD1-CG 4.47Å; I231-K277 HydrophobicContact CG1-CB 3.9Å; I231-L278 WeakPolarHBondContact CG1-O 3.4Å; I231-L278 PolarHBondContact N-O 3.15Å
232	G	86.5	Confident	90.8	Very high	42 Å²	42	56.4 Å²	56.4	43%	0.433	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-64.5	-28.6	-171.5	0	0	0	0	0	114.8	G234	G232-G234 PolarHBondContact O-N 3.47Å
233	E	85.9	Confident	91.2	Very high	158 Å²	158	57.8 Å²	57.8	74%	0.738	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-73.3	-13.7	175.8	-59.7	85.8	173	0	0	113.3	I231 L286	I231-E233 VanDerWaalsContact C-N 3.29Å; I231-E233 WeakPolarHBondContact CG2-OE2 3.34Å; I231-E233 PolarHBondContact O-N 2.91Å; E233-L286 HydrophobicContact CB-CD2 4.48Å
234	G	88.1	Confident	91.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.01	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-121.4	45.5	-175.4	0	0	0	0	0	112.4	I231 G232 G279 F280	I231-G234 CarbonylContact O-C 3.6Å; I231-G234 PolarHBondContact O-N 2.95Å; G232-G234 PolarHBondContact O-N 3.47Å; G234-G279 CarbonylContact O-C 3.59Å; G234-G279 WeakPolarHBondContact O-CA 3.3Å; G234-F280 WeakPolarHBondContact CA-O 3.33Å; G234-F280 WeakPolarHBondContact O-CD2 3.48Å; G234-F280 PolarHBondContact O-N 3.16Å
235	Y	93.4	Very high	91.8	Very high	98 Å²	98	51.5 Å²	51.5	38%	0.384	27%	0.268	S	S	.	.			trans	-82.1	138.4	168.3	-64.7	-32.6	0	0	0	110.7	L230 V241	L230-Y235 HydrophobicContact CB-CE1 4.32Å; L230-Y235 HydrophobicContact CD1-CD1 4.49Å; L230-Y235 HydrophobicContact CD2-CD1 3.54Å; L230-Y235 HydrophobicContact CD2-CE1 3.56Å; L230-Y235 HydrophobicContact CG-CD1 3.68Å; L230-Y235 HydrophobicContact CG-CE1 3.58Å; Y235-V241 HydrophobicContact CD1-CG1 4.31Å; Y235-V241 HydrophobicContact CD1-CG2 4.37Å; Y235-V241 HydrophobicContact CD2-CG1 4.4Å; Y235-V241 HydrophobicContact CD2-CG2 3.57Å; Y235-V241 HydrophobicContact CE1-CG1 3.95Å; Y235-V241 HydrophobicContact CE2-CG1 4.03Å; Y235-V241 HydrophobicContact CE2-CG2 3.91Å; Y235-V241 HydrophobicContact CG-CG2 3.83Å
236	S	91.3	Very high	91.7	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.049	26%	0.264	C	S	.	.			trans	-64.1	140.7	170.9	-179.6	0	0	0	0	110.4	Q238 Q244 F280 D312	S236-Q238 VanDerWaalsContact C-N 3.32Å; S236-Q238 PolarHBondContact OG-N 2.95Å; S236-Q238 VanDerWaalsContact OG-N 3.13Å; S236-Q244 PolarHBondContact O-NE2 3.34Å; S236-F280 VanDerWaalsContact N-CD2 3.33Å; S236-D312 VanDerWaalsContact CA-OD1 3.32Å; S236-D312 WeakPolarHBondContact CA-OD1 3.43Å; S236-D312 WeakPolarHBondContact CB-OD1 3.4Å; S236-D312 PolarHBondContact OG-OD1 2.77Å
237	S	87.6	Confident	91.7	Very high	91 Å²	91	52.1 Å²	52.1	64%	0.636	26%	0.264	S	S	*	.	S	Bend	trans	-79.4	-15.1	171.8	61.4	0	0	0	0	113.7	D312	S237-D312 PolarHBondContact N-OD2 3.46Å; S237-D312 PolarHBondContact OG-OD2 3.36Å
238	Q	86.1	Confident	91.8	Very high	47 Å²	47	46.9 Å²	46.9	22%	0.22	24%	0.244	C	C	.	.	S	Bend	trans	-90.1	-23.1	-171.9	-59	-176.8	56.3	0	0	113.7	S236 D312 E314 H315	S236-Q238 VanDerWaalsContact C-N 3.32Å; S236-Q238 PolarHBondContact OG-N 2.95Å; S236-Q238 VanDerWaalsContact OG-N 3.13Å; Q238-D312 PolarHBondContact NE2-O 3.12Å; Q238-E314 PolarHBondContact NE2-O 2.87Å; Q238-E314 PolarHBondContact OE1-O 2.84Å; Q238-H315 PolarHBondContact OE1-ND1 3.38Å; Q238-H315 VanDerWaalsContact OE1-ND1 3.16Å
239	L	89.2	Confident	91.8	Very high	26 Å²	26	49.1 Å²	49.1	14%	0.136	25%	0.252	C	S	.	.	S	Bend	trans	-125.5	149.1	-178.6	-64.8	172.4	0	0	0	110	Q244 I247 F316 L327	L239-Q244 HydrophobicContact CB-CG 3.82Å; L239-Q244 PolarHBondContact O-NE2 3.12Å; L239-I247 HydrophobicContact CD1-CD1 4.29Å; L239-F316 HydrophobicContact CD1-CB 4.36Å; L239-L327 HydrophobicContact CD1-CD2 3.69Å
240	T	92.8	Very high	91.7	Very high	60 Å²	60	49.2 Å²	49.2	37%	0.368	26%	0.255	S	S	.	.			trans	-66.2	150.5	173.7	65.7	0	0	0	0	110.8	D242 E243 Q244	T240-D242 PolarHBondContact O-N 3.19Å; T240-E243 WeakPolarHBondContact CB-OE2 3.35Å; T240-E243 WeakPolarHBondContact CG2-OE2 3.23Å; T240-E243 PolarHBondContact N-OE2 2.91Å; T240-E243 WeakPolarHBondContact O-CB 3.2Å; T240-E243 PolarHBondContact O-N 3.36Å; T240-E243 VanDerWaalsContact O-N 3.08Å; T240-E243 WeakPolarHBondContact OG1-CB 3.48Å; T240-E243 VanDerWaalsContact OG1-CD 3.24Å; T240-E243 WeakPolarHBondContact OG1-CG 3.4Å; T240-E243 PolarHBondContact OG1-N 2.94Å; T240-E243 PolarHBondContact OG1-OE2 3.4Å; T240-Q244 WeakPolarHBondContact O-CG 3.44Å; T240-Q244 PolarHBondContact O-N 3.41Å
241	V	92.9	Very high	91.7	Very high	50 Å²	50	48.8 Å²	48.8	30%	0.303	25%	0.253	S	S	.	.	H	α-helix	trans	-57.4	-36.3	179.5	178.2	0	0	0	0	111.5	Y235 Q244 R245	Y235-V241 HydrophobicContact CD1-CG1 4.31Å; Y235-V241 HydrophobicContact CD1-CG2 4.37Å; Y235-V241 HydrophobicContact CD2-CG1 4.4Å; Y235-V241 HydrophobicContact CD2-CG2 3.57Å; Y235-V241 HydrophobicContact CE1-CG1 3.95Å; Y235-V241 HydrophobicContact CE2-CG1 4.03Å; Y235-V241 HydrophobicContact CE2-CG2 3.91Å; Y235-V241 HydrophobicContact CG-CG2 3.83Å; V241-Q244 PolarHBondContact O-N 2.93Å; V241-R245 HydrophobicContact CG1-CG 4.33Å; V241-R245 WeakPolarHBondContact O-CB 3.45Å; V241-R245 WeakPolarHBondContact O-CG 3.41Å; V241-R245 PolarHBondContact O-N 2.86Å
242	D	92.4	Very high	91.9	Very high	114 Å²	114	47.7 Å²	47.7	61%	0.61	25%	0.247	S	C	*	.	H	α-helix	trans	-67.7	-39.4	177.7	-72.4	-30.7	0	0	0	112.2	T240 Y246	T240-D242 PolarHBondContact O-N 3.19Å; D242-Y246 VanDerWaalsContact O-CB 3.28Å; D242-Y246 WeakPolarHBondContact O-CB 3.21Å; D242-Y246 PolarHBondContact O-N 2.77Å
243	E	92.9	Very high	92.3	Very high	90 Å²	90	46.5 Å²	46.5	42%	0.421	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-45	173.3	-74.7	167.6	137.5	0	0	111.7	T240 R245 Y246 I247	T240-E243 WeakPolarHBondContact CB-OE2 3.35Å; T240-E243 WeakPolarHBondContact CG2-OE2 3.23Å; T240-E243 PolarHBondContact N-OE2 2.91Å; T240-E243 WeakPolarHBondContact O-CB 3.2Å; T240-E243 PolarHBondContact O-N 3.36Å; T240-E243 VanDerWaalsContact O-N 3.08Å; T240-E243 WeakPolarHBondContact OG1-CB 3.48Å; T240-E243 VanDerWaalsContact OG1-CD 3.24Å; T240-E243 WeakPolarHBondContact OG1-CG 3.4Å; T240-E243 PolarHBondContact OG1-N 2.94Å; T240-E243 PolarHBondContact OG1-OE2 3.4Å; E243-R245 PolarHBondContact O-N 2.9Å; E243-Y246 PolarHBondContact O-N 2.95Å; E243-I247 WeakPolarHBondContact O-CD1 3.03Å; E243-I247 VanDerWaalsContact O-CG1 3.25Å; E243-I247 WeakPolarHBondContact O-CG1 3.44Å; E243-I247 PolarHBondContact O-N 3.2Å
244	Q	94.6	Very high	92.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.7	-51.4	176	-66.5	173.5	51.9	0	0	110.6	L230 S236 L239 T240 V241 Y246 I247 F248 F280	L230-Q244 HydrophobicContact CD2-CB 3.89Å; S236-Q244 PolarHBondContact O-NE2 3.34Å; L239-Q244 HydrophobicContact CB-CG 3.82Å; L239-Q244 PolarHBondContact O-NE2 3.12Å; T240-Q244 WeakPolarHBondContact O-CG 3.44Å; T240-Q244 PolarHBondContact O-N 3.41Å; V241-Q244 PolarHBondContact O-N 2.93Å; Q244-Y246 VanDerWaalsContact C-N 3.35Å; Q244-Y246 PolarHBondContact O-N 3.38Å; Q244-I247 PolarHBondContact O-N 3.31Å; Q244-F248 HydrophobicContact CB-CE2 4.15Å; Q244-F248 WeakPolarHBondContact O-CD2 3.4Å; Q244-F248 WeakPolarHBondContact O-CG 3.16Å; Q244-F248 PolarHBondContact O-N 2.8Å; Q244-F280 HydrophobicContact CG-CE2 4.2Å
245	R	94.3	Very high	93.1	Very high	57 Å²	57	39.9 Å²	39.9	22%	0.215	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-38.6	179.5	-68.9	171.8	70.9	-162.3	4.3	112.5	L230 V241 E243 F248 R249 E265	L230-R245 HydrophobicContact CD2-CG 4.04Å; V241-R245 HydrophobicContact CG1-CG 4.33Å; V241-R245 WeakPolarHBondContact O-CB 3.45Å; V241-R245 WeakPolarHBondContact O-CG 3.41Å; V241-R245 PolarHBondContact O-N 2.86Å; E243-R245 PolarHBondContact O-N 2.9Å; R245-F248 PolarHBondContact O-N 3.05Å; R245-R249 WeakPolarHBondContact O-CG 3.4Å; R245-R249 PolarHBondContact O-N 2.91Å; R245-E265 IonicContact CZ-OE1 3.68Å; R245-E265 IonicContact NE-OE1 2.85Å; R245-E265 PolarHBondContact NE-OE1 3.36Å; R245-E265 IonicContact NE-OE2 2.97Å; R245-E265 VanDerWaalsContact NH2-CD 3.31Å; R245-E265 IonicContact NH2-OE1 3.55Å; R245-E265 PolarHBondContact NH2-OE1 3.38Å; R245-E265 IonicContact NH2-OE2 3.92Å; R245-E265 PolarHBondContact NH2-OE2 2.92Å
246	Y	92.8	Very high	93.1	Very high	82 Å²	82	35.2 Å²	35.2	32%	0.322	18%	0.18	S	C	.	.	H	α-helix	trans	-60.6	-47	174.1	168.8	-100.1	0	0	0	111.5	D242 E243 Q244 F248 R249 L250 P319 L620	D242-Y246 VanDerWaalsContact O-CB 3.28Å; D242-Y246 WeakPolarHBondContact O-CB 3.21Å; D242-Y246 PolarHBondContact O-N 2.77Å; E243-Y246 PolarHBondContact O-N 2.95Å; Q244-Y246 VanDerWaalsContact C-N 3.35Å; Q244-Y246 PolarHBondContact O-N 3.38Å; Y246-F248 PolarHBondContact O-N 2.78Å; Y246-R249 PolarHBondContact O-N 3.3Å; Y246-L250 PolarHBondContact O-N 3.42Å; Y246-P319 HydrophobicContact CE1-CG 4.28Å; Y246-L620 HydrophobicContact CD2-CD2 4.36Å; Y246-L620 HydrophobicContact CE2-CB 4.29Å; Y246-L620 HydrophobicContact CE2-CD2 3.78Å
247	I	94.1	Very high	93.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-44.3	178.7	-69.1	163.5	0	0	0	110.9	L239 E243 Q244 L250 A251 P319 L327 L328	L239-I247 HydrophobicContact CD1-CD1 4.29Å; E243-I247 WeakPolarHBondContact O-CD1 3.03Å; E243-I247 VanDerWaalsContact O-CG1 3.25Å; E243-I247 WeakPolarHBondContact O-CG1 3.44Å; E243-I247 PolarHBondContact O-N 3.2Å; Q244-I247 PolarHBondContact O-N 3.31Å; I247-L250 PolarHBondContact O-N 3.47Å; I247-A251 PolarHBondContact O-N 3.47Å; I247-P319 HydrophobicContact CG1-CG 4.02Å; I247-L327 HydrophobicContact CB-CD2 4.34Å; I247-L327 HydrophobicContact CD1-CB 4.34Å; I247-L327 HydrophobicContact CD1-CD2 3.89Å; I247-L327 HydrophobicContact CG2-CB 4.13Å; I247-L327 HydrophobicContact CG2-CD2 4.01Å; I247-L327 HydrophobicContact CG2-CG 3.81Å; I247-L328 HydrophobicContact CG2-CB 3.93Å; I247-L328 HydrophobicContact CG2-CD1 4.35Å
248	F	95.6	Very high	93.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-39.1	178	-63.4	-48.2	0	0	0	113.1	W228 L230 Q244 R245 Y246 L250 A251 F252 L278 F280 F310 L327 A331	W228-F248 HydrophobicContact CH2-CB 3.88Å; W228-F248 HydrophobicContact CZ3-CB 3.87Å; L230-F248 HydrophobicContact CD1-CD2 4.15Å; L230-F248 HydrophobicContact CD1-CE2 3.54Å; L230-F248 HydrophobicContact CD1-CZ 4.35Å; L230-F248 HydrophobicContact CD2-CD2 4.17Å; L230-F248 HydrophobicContact CD2-CE2 3.97Å; L230-F248 HydrophobicContact CG-CE2 4.27Å; Q244-F248 HydrophobicContact CB-CE2 4.15Å; Q244-F248 WeakPolarHBondContact O-CD2 3.4Å; Q244-F248 WeakPolarHBondContact O-CG 3.16Å; Q244-F248 PolarHBondContact O-N 2.8Å; R245-F248 PolarHBondContact O-N 3.05Å; Y246-F248 PolarHBondContact O-N 2.78Å; F248-L250 VanDerWaalsContact C-N 3.27Å; F248-L250 PolarHBondContact O-N 2.89Å; F248-A251 PolarHBondContact O-N 2.93Å; F248-F252 WeakPolarHBondContact O-CD2 3.19Å; F248-F252 PolarHBondContact O-N 3.34Å; F248-L278 HydrophobicContact CB-CD1 3.84Å; F248-L278 HydrophobicContact CD1-CD1 3.72Å; F248-L278 HydrophobicContact CD2-CD1 3.79Å; F248-L278 HydrophobicContact CE1-CD1 4.2Å; F248-L278 HydrophobicContact CE2-CD1 4.26Å; F248-L278 HydrophobicContact CG-CD1 3.5Å; F248-L278 VanDerWaalsContact CG-CD1 3.5Å; F248-L278 HydrophobicContact CZ-CD1 4.44Å; F248-F280 AromaticContact CE2-CE2 3.88Å; F248-F280 HydrophobicContact CE2-CE2 3.88Å; F248-F280 HydrophobicContact CE2-CZ 4.3Å; F248-F280 AromaticContact CZ-CE2 3.7Å; F248-F280 HydrophobicContact CZ-CE2 3.7Å; F248-F280 AromaticContact CZ-CZ 3.76Å; F248-F280 HydrophobicContact CZ-CZ 3.76Å; F248-F310 HydrophobicContact CD1-CZ 4.38Å; F248-F310 HydrophobicContact CE1-CD2 4.34Å; F248-F310 HydrophobicContact CE1-CE1 4.14Å; F248-F310 AromaticContact CE1-CE2 3.53Å; F248-F310 HydrophobicContact CE1-CE2 3.53Å; F248-F310 AromaticContact CE1-CZ 3.42Å; F248-F310 HydrophobicContact CE1-CZ 3.42Å; F248-F310 VanDerWaalsContact CE1-CZ 3.42Å; F248-F310 HydrophobicContact CZ-CD2 4.09Å; F248-F310 AromaticContact CZ-CE2 3.65Å; F248-F310 HydrophobicContact CZ-CE2 3.65Å; F248-F310 HydrophobicContact CZ-CZ 4.02Å; F248-L327 HydrophobicContact CE1-CD1 4.24Å; F248-L327 HydrophobicContact CE1-CG 4.42Å; F248-L327 HydrophobicContact CZ-CD1 4.32Å; F248-L327 HydrophobicContact CZ-CD2 4.26Å; F248-A331 HydrophobicContact CD1-CB 3.86Å; F248-A331 HydrophobicContact CE1-CB 3.91Å
249	R	95.1	Very high	93.8	Very high	46 Å²	46	29.2 Å²	29.2	17%	0.174	14%	0.141	C	C	.	.	H	α-helix	trans	-56.5	-44.1	171.2	-79.4	-179.3	-149.7	121.3	10	111.4	W228 R245 Y246 R253 E265	W228-R249 HydrophobicContact CH2-CG 4.03Å; W228-R249 HydrophobicContact CZ2-CB 4.44Å; W228-R249 HydrophobicContact CZ2-CG 3.58Å; R245-R249 WeakPolarHBondContact O-CG 3.4Å; R245-R249 PolarHBondContact O-N 2.91Å; Y246-R249 PolarHBondContact O-N 3.3Å; R249-R253 VanDerWaalsContact O-CB 3.22Å; R249-R253 WeakPolarHBondContact O-CB 3.48Å; R249-R253 PolarHBondContact O-N 2.86Å; R249-E265 IonicContact CZ-OE2 3.25Å; R249-E265 VanDerWaalsContact CZ-OE2 3.27Å; R249-E265 IonicContact NE-OE2 2.7Å; R249-E265 PolarHBondContact NE-OE2 2.87Å; R249-E265 IonicContact NH2-OE1 3.87Å; R249-E265 IonicContact NH2-OE2 2.67Å; R249-E265 PolarHBondContact NH2-OE2 3.39Å
250	L	93.4	Very high	94	Very high	31 Å²	31	29.9 Å²	29.9	16%	0.162	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-41.6	178.1	-176.1	58.3	0	0	0	111.4	Y246 I247 F248 R253 M254 L328	Y246-L250 PolarHBondContact O-N 3.42Å; I247-L250 PolarHBondContact O-N 3.47Å; F248-L250 VanDerWaalsContact C-N 3.27Å; F248-L250 PolarHBondContact O-N 2.89Å; L250-R253 WeakPolarHBondContact O-CB 3.42Å; L250-R253 PolarHBondContact O-N 3.14Å; L250-M254 WeakPolarHBondContact O-CG 3.49Å; L250-M254 PolarHBondContact O-N 2.98Å; L250-L328 HydrophobicContact CB-CD1 3.98Å; L250-L328 HydrophobicContact CD2-CD1 3.96Å; L250-L328 HydrophobicContact CD2-CD2 3.6Å; L250-L328 HydrophobicContact CD2-CG 4.44Å; L250-L328 HydrophobicContact CG-CD1 3.8Å; L250-L328 HydrophobicContact CG-CD2 4.21Å
251	A	95.2	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-46.3	178	0	0	0	0	0	112.7	I247 F248 M254 L328 A331 V332 I335	I247-A251 PolarHBondContact O-N 3.47Å; F248-A251 PolarHBondContact O-N 2.93Å; A251-M254 PolarHBondContact O-N 3.22Å; A251-L328 HydrophobicContact CB-CD1 3.98Å; A251-A331 HydrophobicContact CB-CB 3.73Å; A251-V332 HydrophobicContact CB-CG2 3.75Å; A251-I335 HydrophobicContact CB-CD1 3.62Å
252	F	95.9	Very high	94.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-39.3	174.2	-79.5	-64.1	0	0	0	112.6	W228 F248 M254 W255 S256 F263 I276 L278 I335	W228-F252 HydrophobicContact CB-CD2 4.35Å; W228-F252 HydrophobicContact CB-CE1 4.25Å; W228-F252 HydrophobicContact CB-CE2 3.56Å; W228-F252 HydrophobicContact CB-CZ 3.5Å; W228-F252 AromaticContact CD1-CD2 3.58Å; W228-F252 AromaticContact CD1-CE2 3.68Å; W228-F252 AromaticContact CD1-CG 3.99Å; W228-F252 AromaticContact CD2-CD2 3.56Å; W228-F252 HydrophobicContact CD2-CD2 3.56Å; W228-F252 AromaticContact CD2-CE2 3.27Å; W228-F252 HydrophobicContact CD2-CE2 3.27Å; W228-F252 HydrophobicContact CD2-CZ 4.18Å; W228-F252 AromaticContact CE2-CD2 3.53Å; W228-F252 AromaticContact CE2-CE2 3.79Å; W228-F252 HydrophobicContact CE3-CD2 4.23Å; W228-F252 AromaticContact CE3-CE2 3.69Å; W228-F252 HydrophobicContact CE3-CE2 3.69Å; W228-F252 AromaticContact CG-CD2 3.6Å; W228-F252 HydrophobicContact CG-CD2 3.6Å; W228-F252 HydrophobicContact CG-CE1 4.39Å; W228-F252 AromaticContact CG-CE2 3.21Å; W228-F252 HydrophobicContact CG-CE2 3.21Å; W228-F252 HydrophobicContact CG-CG 4.34Å; W228-F252 AromaticContact CG-CZ 3.68Å; W228-F252 HydrophobicContact CG-CZ 3.68Å; W228-F252 HydrophobicContact CZ2-CD2 4.16Å; W228-F252 HydrophobicContact CZ3-CE2 4.49Å; W228-F252 AromaticContact NE1-CD2 3.52Å; W228-F252 AromaticContact NE1-CE2 3.98Å; F248-F252 WeakPolarHBondContact O-CD2 3.19Å; F248-F252 PolarHBondContact O-N 3.34Å; F252-M254 VanDerWaalsContact C-N 3.3Å; F252-M254 PolarHBondContact O-N 2.93Å; F252-W255 PolarHBondContact O-N 3.47Å; F252-S256 PolarHBondContact O-N 2.72Å; F252-F263 HydrophobicContact CB-CB 3.78Å; F252-F263 HydrophobicContact CB-CD1 4.46Å; F252-F263 HydrophobicContact CB-CD2 4.14Å; F252-F263 HydrophobicContact CB-CG 3.88Å; F252-F263 HydrophobicContact CD1-CB 4.08Å; F252-F263 AromaticContact CD1-CD1 3.3Å; F252-F263 HydrophobicContact CD1-CD1 3.3Å; F252-F263 HydrophobicContact CD1-CD2 4.24Å; F252-F263 AromaticContact CD1-CE1 3.7Å; F252-F263 HydrophobicContact CD1-CE1 3.7Å; F252-F263 AromaticContact CD1-CG 3.6Å; F252-F263 HydrophobicContact CD1-CG 3.6Å; F252-F263 HydrophobicContact CD1-CZ 4.34Å; F252-F263 AromaticContact CE1-CD1 3.81Å; F252-F263 HydrophobicContact CE1-CD1 3.81Å; F252-F263 HydrophobicContact CE1-CE1 4.07Å; F252-F263 HydrophobicContact CG-CB 4.06Å; F252-F263 HydrophobicContact CG-CD1 4.15Å; F252-F263 HydrophobicContact CG-CG 4.04Å; F252-F263 VanDerWaalsContact O-CD2 3.32Å; F252-F263 WeakPolarHBondContact O-CD2 3.48Å; F252-I276 HydrophobicContact CE1-CD1 3.74Å; F252-I276 HydrophobicContact CE1-CG2 4.35Å; F252-I276 HydrophobicContact CZ-CB 4.35Å; F252-I276 HydrophobicContact CZ-CD1 4.28Å; F252-I276 HydrophobicContact CZ-CG2 3.89Å; F252-L278 HydrophobicContact CE2-CD1 3.92Å; F252-L278 HydrophobicContact CZ-CD1 4.44Å; F252-L278 HydrophobicContact CZ-CD2 4.45Å; F252-I335 HydrophobicContact CD1-CD1 3.78Å; F252-I335 HydrophobicContact CD1-CG1 4.28Å; F252-I335 HydrophobicContact CD1-CG2 3.95Å; F252-I335 HydrophobicContact CD2-CD1 4.09Å; F252-I335 HydrophobicContact CE1-CD1 3.74Å; F252-I335 HydrophobicContact CE1-CG1 3.82Å; F252-I335 HydrophobicContact CE1-CG2 3.82Å; F252-I335 HydrophobicContact CE2-CD1 4.05Å; F252-I335 HydrophobicContact CG-CD1 3.95Å; F252-I335 HydrophobicContact CZ-CD1 3.88Å; F252-I335 HydrophobicContact CZ-CG1 4.02Å
253	R	95.2	Very high	94.2	Very high	17 Å²	17	21.9 Å²	21.9	6%	0.064	10%	0.099	C	C	.	.	H	α-helix	trans	-55.8	-47.8	174.6	171.6	175.8	175.3	157.6	4.6	110.5	R249 L250 W255 S256 E257 G428 P430 V613	R249-R253 VanDerWaalsContact O-CB 3.22Å; R249-R253 WeakPolarHBondContact O-CB 3.48Å; R249-R253 PolarHBondContact O-N 2.86Å; L250-R253 WeakPolarHBondContact O-CB 3.42Å; L250-R253 PolarHBondContact O-N 3.14Å; R253-W255 VanDerWaalsContact C-N 3.28Å; R253-W255 PolarHBondContact O-N 3.07Å; R253-S256 CarbonylContact O-C 3.47Å; R253-S256 WeakPolarHBondContact O-CA 3.3Å; R253-S256 VanDerWaalsContact O-CB 3.27Å; R253-S256 WeakPolarHBondContact O-CB 3.33Å; R253-S256 PolarHBondContact O-N 2.94Å; R253-E257 HydrophobicContact CG-CG 4.11Å; R253-E257 WeakPolarHBondContact CG-OE1 3.2Å; R253-E257 IonicContact CZ-OE1 3.92Å; R253-E257 IonicContact NE-OE1 3.71Å; R253-E257 PolarHBondContact NE-OE1 2.92Å; R253-E257 IonicContact NH2-OE1 3.23Å; R253-E257 WeakPolarHBondContact O-CG 3.28Å; R253-E257 PolarHBondContact O-N 2.9Å; R253-G428 PolarHBondContact NH2-O 3.16Å; R253-P430 PolarHBondContact NH2-O 2.71Å; R253-V613 HydrophobicContact CG-CG1 4.14Å
254	M	94.9	Very high	94.3	Very high	20 Å²	20	18.9 Å²	18.9	10%	0.099	9%	0.087	C	C	.	.	H	α-helix	trans	-52.4	-46.4	-179.5	-71.4	177	73.7	0	0	111.6	L250 A251 F252 E257 L328 V332 F362 M364	L250-M254 WeakPolarHBondContact O-CG 3.49Å; L250-M254 PolarHBondContact O-N 2.98Å; A251-M254 PolarHBondContact O-N 3.22Å; F252-M254 VanDerWaalsContact C-N 3.3Å; F252-M254 PolarHBondContact O-N 2.93Å; M254-E257 PolarHBondContact O-N 3.06Å; M254-L328 HydrophobicContact SD-CD1 4.29Å; M254-V332 HydrophobicContact CB-CG2 4.4Å; M254-V332 HydrophobicContact CE-CG2 4.36Å; M254-V332 HydrophobicContact SD-CG2 3.64Å; M254-F362 HydrophobicContact CE-CD2 4.2Å; M254-F362 HydrophobicContact CE-CE2 3.57Å; M254-F362 HydrophobicContact CE-CZ 3.84Å; M254-F362 HydrophobicContact SD-CZ 4.23Å; M254-M364 HydrophobicContact CB-CE 4.07Å; M254-M364 HydrophobicContact CB-SD 4.28Å; M254-M364 HydrophobicContact CE-CG 4.1Å; M254-M364 WeakPolarHBondContact O-CE 3.46Å
255	W	95.1	Very high	94.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.8	-35.5	175	-71.4	112.4	0	0	0	114.1	F252 R253 E257 V258 S259 F263 V332 I335 L339 L341 I350 M351 M364 D368 I372	F252-W255 PolarHBondContact O-N 3.47Å; R253-W255 VanDerWaalsContact C-N 3.28Å; R253-W255 PolarHBondContact O-N 3.07Å; W255-E257 VanDerWaalsContact C-N 3.29Å; W255-E257 PolarHBondContact O-N 2.69Å; W255-V258 HydrophobicContact CE3-CG2 4.26Å; W255-V258 PolarHBondContact O-N 2.69Å; W255-S259 WeakPolarHBondContact O-CB 3.5Å; W255-S259 PolarHBondContact O-N 2.59Å; W255-S259 PolarHBondContact O-OG 2.93Å; W255-F263 HydrophobicContact CB-CE2 3.99Å; W255-F263 HydrophobicContact CB-CZ 4.27Å; W255-V332 HydrophobicContact CZ2-CG1 4.08Å; W255-V332 WeakPolarHBondContact CZ2-O 3.41Å; W255-V332 PolarHBondContact NE1-O 3.25Å; W255-I335 HydrophobicContact CG-CG2 4.14Å; W255-L339 HydrophobicContact CB-CD1 3.91Å; W255-L339 HydrophobicContact CD2-CD1 3.99Å; W255-L339 HydrophobicContact CE3-CD1 4.4Å; W255-L339 HydrophobicContact CG-CD1 3.77Å; W255-L341 HydrophobicContact CH2-CD1 3.25Å; W255-L341 HydrophobicContact CZ2-CD1 4.08Å; W255-L341 HydrophobicContact CZ3-CD1 3.56Å; W255-I350 HydrophobicContact CH2-CG2 4.04Å; W255-I350 HydrophobicContact CZ2-CG2 3.99Å; W255-M351 HydrophobicContact CH2-SD 4.23Å; W255-M351 HydrophobicContact CZ2-SD 4.02Å; W255-M364 HydrophobicContact CD2-SD 4.18Å; W255-M364 HydrophobicContact CE3-SD 4.02Å; W255-M364 HydrophobicContact CH2-SD 4.29Å; W255-M364 HydrophobicContact CZ2-SD 4.47Å; W255-M364 HydrophobicContact CZ3-SD 4.07Å; W255-D368 HydrophobicContact CH2-CB 4.44Å; W255-I372 HydrophobicContact CE3-CB 4.19Å; W255-I372 HydrophobicContact CE3-CD1 4.47Å; W255-I372 HydrophobicContact CE3-CG1 4.06Å; W255-I372 HydrophobicContact CE3-CG2 4.13Å; W255-I372 HydrophobicContact CZ3-CB 3.92Å; W255-I372 HydrophobicContact CZ3-CG1 4.25Å; W255-I372 HydrophobicContact CZ3-CG2 3.95Å
256	S	94.4	Very high	94.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.3	-31.7	175	-156.6	0	0	0	0	112.5	F252 R253 V258 S259 L261 C611 D612	F252-S256 PolarHBondContact O-N 2.72Å; R253-S256 CarbonylContact O-C 3.47Å; R253-S256 WeakPolarHBondContact O-CA 3.3Å; R253-S256 VanDerWaalsContact O-CB 3.27Å; R253-S256 WeakPolarHBondContact O-CB 3.33Å; R253-S256 PolarHBondContact O-N 2.94Å; S256-V258 PolarHBondContact O-N 3.22Å; S256-S259 VanDerWaalsContact O-O 3.09Å; S256-L261 WeakPolarHBondContact CA-O 3.42Å; S256-L261 PolarHBondContact OG-O 3.07Å; S256-C611 WeakPolarHBondContact O-CB 3.43Å; S256-D612 PolarHBondContact OG-O 3Å
257	E	93.7	Very high	94.2	Very high	16 Å²	16	17.8 Å²	17.8	8%	0.075	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.5	179.1	-65.1	-177.8	177.9	0	0	113.3	R253 M254 W255 G428 D429 C611 V613	R253-E257 HydrophobicContact CG-CG 4.11Å; R253-E257 WeakPolarHBondContact CG-OE1 3.2Å; R253-E257 IonicContact CZ-OE1 3.92Å; R253-E257 IonicContact NE-OE1 3.71Å; R253-E257 PolarHBondContact NE-OE1 2.92Å; R253-E257 IonicContact NH2-OE1 3.23Å; R253-E257 WeakPolarHBondContact O-CG 3.28Å; R253-E257 PolarHBondContact O-N 2.9Å; M254-E257 PolarHBondContact O-N 3.06Å; W255-E257 VanDerWaalsContact C-N 3.29Å; W255-E257 PolarHBondContact O-N 2.69Å; E257-G428 WeakPolarHBondContact OE1-CA 3.4Å; E257-G428 WeakPolarHBondContact OE2-CA 3.41Å; E257-G428 PolarHBondContact OE2-N 3.16Å; E257-D429 WeakPolarHBondContact CG-O 3.42Å; E257-C611 PolarHBondContact O-SG 3.43Å; E257-V613 HydrophobicContact CG-CG2 3.96Å
258	V	93.2	Very high	94	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	4.3	-171.8	-56.2	0	0	0	0	113.9	W255 S256 M364 R369 I372 Q373	W255-V258 HydrophobicContact CE3-CG2 4.26Å; W255-V258 PolarHBondContact O-N 2.69Å; S256-V258 PolarHBondContact O-N 3.22Å; V258-M364 HydrophobicContact CB-CE 4.21Å; V258-M364 HydrophobicContact CG1-CE 3.6Å; V258-M364 HydrophobicContact CG2-CE 3.53Å; V258-M364 HydrophobicContact CG2-SD 4.35Å; V258-R369 HydrophobicContact CB-CB 4.47Å; V258-R369 HydrophobicContact CB-CG 4.13Å; V258-R369 HydrophobicContact CG1-CG 3.93Å; V258-R369 HydrophobicContact CG2-CG 4.38Å; V258-I372 HydrophobicContact CG2-CG2 3.94Å; V258-Q373 VanDerWaalsContact O-CG 3.26Å; V258-Q373 WeakPolarHBondContact O-CG 3.28Å; V258-Q373 PolarHBondContact O-NE2 2.61Å
259	S	93.3	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-139.5	160.3	179.8	71.7	0	0	0	0	110.5	W255 S256 L261 C380 C611	W255-S259 WeakPolarHBondContact O-CB 3.5Å; W255-S259 PolarHBondContact O-N 2.59Å; W255-S259 PolarHBondContact O-OG 2.93Å; S256-S259 VanDerWaalsContact O-O 3.09Å; S259-L261 PolarHBondContact O-N 3.35Å; S259-L261 VanDerWaalsContact O-N 3.13Å; S259-L261 PolarHBondContact OG-N 3.04Å; S259-C380 PolarHBondContact O-SG 2.76Å; S259-C380 VanDerWaalsContact O-SG 3.38Å; S259-C611 WeakPolarHBondContact O-CB 3.37Å
260	P	92.4	Very high	93.7	Very high	40 Å²	40	31.8 Å²	31.8	26%	0.26	16%	0.16	S	C	.	.	S	Bend	trans	-71.5	2.3	175.2	30.8	-36.2	0	0	0	113.4
261	L	93.5	Very high	93.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.			trans	-79.4	137.7	-176.9	-60.6	176.9	0	0	0	112	D224 L226 S256 S259 F263 L339 Y376	D224-L261 CarbonylContact O-C 3.46Å; D224-L261 WeakPolarHBondContact O-CA 3.28Å; L226-L261 HydrophobicContact CD1-CD1 4.21Å; L226-L261 HydrophobicContact CD1-CD2 4.41Å; S256-L261 WeakPolarHBondContact CA-O 3.42Å; S256-L261 PolarHBondContact OG-O 3.07Å; S259-L261 PolarHBondContact O-N 3.35Å; S259-L261 VanDerWaalsContact O-N 3.13Å; S259-L261 PolarHBondContact OG-N 3.04Å; L261-F263 HydrophobicContact CB-CE2 3.86Å; L261-F263 HydrophobicContact CB-CZ 3.84Å; L261-F263 HydrophobicContact CD1-CZ 3.98Å; L261-L339 HydrophobicContact CD1-CD1 4.26Å; L261-L339 HydrophobicContact CD1-CD2 3.57Å; L261-L339 HydrophobicContact CD1-CG 4.46Å; L261-Y376 HydrophobicContact CD1-CD1 4.04Å; L261-Y376 HydrophobicContact CD1-CD2 4.01Å; L261-Y376 HydrophobicContact CD1-CE1 3.83Å; L261-Y376 HydrophobicContact CD1-CE2 3.83Å; L261-Y376 HydrophobicContact CD1-CG 4.12Å; L261-Y376 HydrophobicContact CD2-CD1 3.67Å; L261-Y376 HydrophobicContact CD2-CE1 3.83Å; L261-Y376 HydrophobicContact CD2-CG 4.28Å; L261-Y376 HydrophobicContact CG-CD1 4.07Å; L261-Y376 HydrophobicContact CG-CE1 4.28Å; L261-Y376 HydrophobicContact CG-CG 4.21Å
262	E	93.6	Very high	92.9	Very high	57 Å²	57	41 Å²	41	27%	0.266	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129	173	-72.2	-172.3	-137.4	0	0	110.3	D224 V225 L226 H614	D224-E262 PolarHBondContact O-N 2.65Å; V225-E262 CarbonylContact C-O 3.59Å; V225-E262 WeakPolarHBondContact CA-O 3.38Å; V225-E262 HydrophobicContact CG2-CB 4.26Å; L226-E262 PolarHBondContact N-O 3.34Å; E262-H614 HydrophobicContact CB-CB 4.29Å; E262-H614 IonicContact OE2-CD2 3.52Å; E262-H614 PolarHBondContact OE2-CD2 3.15Å; E262-H614 IonicContact OE2-CG 2.84Å
263	F	95.4	Very high	92.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129	-179	-59.8	-83.7	0	0	0	111.3	L226 F252 W255 L261 I276 L339 S617	L226-F263 HydrophobicContact CB-CD1 3.98Å; L226-F263 HydrophobicContact CB-CE1 4.15Å; L226-F263 HydrophobicContact CD1-CD1 4.44Å; L226-F263 HydrophobicContact CD1-CE1 3.77Å; L226-F263 HydrophobicContact CD1-CZ 4.45Å; L226-F263 WeakPolarHBondContact O-CA 3.26Å; F252-F263 HydrophobicContact CB-CB 3.78Å; F252-F263 HydrophobicContact CB-CD1 4.46Å; F252-F263 HydrophobicContact CB-CD2 4.14Å; F252-F263 HydrophobicContact CB-CG 3.88Å; F252-F263 HydrophobicContact CD1-CB 4.08Å; F252-F263 AromaticContact CD1-CD1 3.3Å; F252-F263 HydrophobicContact CD1-CD1 3.3Å; F252-F263 HydrophobicContact CD1-CD2 4.24Å; F252-F263 AromaticContact CD1-CE1 3.7Å; F252-F263 HydrophobicContact CD1-CE1 3.7Å; F252-F263 AromaticContact CD1-CG 3.6Å; F252-F263 HydrophobicContact CD1-CG 3.6Å; F252-F263 HydrophobicContact CD1-CZ 4.34Å; F252-F263 AromaticContact CE1-CD1 3.81Å; F252-F263 HydrophobicContact CE1-CD1 3.81Å; F252-F263 HydrophobicContact CE1-CE1 4.07Å; F252-F263 HydrophobicContact CG-CB 4.06Å; F252-F263 HydrophobicContact CG-CD1 4.15Å; F252-F263 HydrophobicContact CG-CG 4.04Å; F252-F263 VanDerWaalsContact O-CD2 3.32Å; F252-F263 WeakPolarHBondContact O-CD2 3.48Å; W255-F263 HydrophobicContact CB-CE2 3.99Å; W255-F263 HydrophobicContact CB-CZ 4.27Å; L261-F263 HydrophobicContact CB-CE2 3.86Å; L261-F263 HydrophobicContact CB-CZ 3.84Å; L261-F263 HydrophobicContact CD1-CZ 3.98Å; F263-I276 HydrophobicContact CD1-CD1 4.5Å; F263-I276 HydrophobicContact CE1-CD1 4.23Å; F263-L339 HydrophobicContact CE1-CD2 3.98Å; F263-L339 HydrophobicContact CZ-CD1 3.97Å; F263-L339 HydrophobicContact CZ-CD2 3.9Å; F263-S617 PolarHBondContact O-OG 2.88Å
264	V	95.2	Very high	92.4	Very high	26 Å²	26	44.2 Å²	44.2	16%	0.158	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.3	-178.8	-173.3	0	0	0	0	109.8	V225 L226 R227 W228 D266	V225-V264 HydrophobicContact CG1-CG2 3.82Å; L226-V264 PolarHBondContact O-N 3.14Å; R227-V264 CarbonylContact C-O 3.59Å; R227-V264 WeakPolarHBondContact CA-O 3.41Å; W228-V264 PolarHBondContact N-O 3.01Å; V264-D266 PolarHBondContact O-N 3.42Å
265	E	94.8	Very high	92.2	Very high	32 Å²	32	43.6 Å²	43.6	15%	0.15	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	116.5	171.1	-169.9	-177.7	-179.3	0	0	109.2	W228 R245 R249 T267	W228-E265 HydrophobicContact CD2-CB 4.33Å; W228-E265 HydrophobicContact CD2-CG 4.3Å; W228-E265 HydrophobicContact CE3-CG 4.33Å; W228-E265 HydrophobicContact CH2-CB 4.11Å; W228-E265 HydrophobicContact CH2-CG 3.63Å; W228-E265 HydrophobicContact CZ2-CB 3.5Å; W228-E265 HydrophobicContact CZ2-CG 3.57Å; W228-E265 HydrophobicContact CZ3-CG 4.02Å; W228-E265 WeakPolarHBondContact O-CA 3.26Å; R245-E265 IonicContact CZ-OE1 3.68Å; R245-E265 IonicContact NE-OE1 2.85Å; R245-E265 PolarHBondContact NE-OE1 3.36Å; R245-E265 IonicContact NE-OE2 2.97Å; R245-E265 VanDerWaalsContact NH2-CD 3.31Å; R245-E265 IonicContact NH2-OE1 3.55Å; R245-E265 PolarHBondContact NH2-OE1 3.38Å; R245-E265 IonicContact NH2-OE2 3.92Å; R245-E265 PolarHBondContact NH2-OE2 2.92Å; R249-E265 IonicContact CZ-OE2 3.25Å; R249-E265 VanDerWaalsContact CZ-OE2 3.27Å; R249-E265 IonicContact NE-OE2 2.7Å; R249-E265 PolarHBondContact NE-OE2 2.87Å; R249-E265 IonicContact NH2-OE1 3.87Å; R249-E265 IonicContact NH2-OE2 2.67Å; R249-E265 PolarHBondContact NH2-OE2 3.39Å; E265-T267 HydrophobicContact CG-CG2 4.32Å
266	D	93.4	Very high	92.2	Very high	15 Å²	15	43.6 Å²	43.6	8%	0.08	22%	0.22	C	C	.	.			trans	-106.3	124.7	174.8	-167.6	-39	0	0	0	109	R227 W228 R229 V264 W268 S269	R227-D266 HydrophobicContact CB-CB 4.23Å; R227-D266 WeakPolarHBondContact CD-OD2 3.41Å; R227-D266 HydrophobicContact CG-CB 4.44Å; R227-D266 IonicContact NE-OD2 3.15Å; W228-D266 PolarHBondContact O-N 3.46Å; R229-D266 WeakPolarHBondContact CB-O 3.47Å; R229-D266 WeakPolarHBondContact CG-O 3.5Å; R229-D266 IonicContact CZ-OD1 2.71Å; R229-D266 PolarHBondContact NE-O 3.26Å; R229-D266 IonicContact NH2-OD1 3.75Å; R229-D266 PolarHBondContact NH2-OD1 3.31Å; V264-D266 PolarHBondContact O-N 3.42Å; D266-W268 PolarHBondContact OD1-N 2.81Å; D266-S269 VanDerWaalsContact CG-OG 3.3Å; D266-S269 WeakPolarHBondContact OD1-CB 3.13Å; D266-S269 PolarHBondContact OD1-N 3.32Å; D266-S269 PolarHBondContact OD1-OG 3.16Å; D266-S269 WeakPolarHBondContact OD2-CB 3.33Å; D266-S269 PolarHBondContact OD2-OG 3.26Å
267	T	91.2	Very high	92.1	Very high	69 Å²	69	46 Å²	46	42%	0.423	23%	0.23	S	C	.	.	S	Bend	trans	-114.4	-6.2	178.6	43.8	0	0	0	0	113.3	E265	E265-T267 HydrophobicContact CG-CG2 4.32Å
268	W	90.1	Very high	92.2	Very high	233 Å²	233	45.2 Å²	45.2	88%	0.883	23%	0.227	S	C	*	.	S	Bend	trans	-124.7	-33.7	-165.1	-47.5	-12.5	0	0	0	113.7	R229 D266	R229-W268 VanDerWaalsContact NH2-N 3.17Å; D266-W268 PolarHBondContact OD1-N 2.81Å
269	S	92.2	Very high	92.2	Very high	38 Å²	38	45 Å²	45	27%	0.266	23%	0.226	S	C	.	.	S	Bend	trans	-63.5	160.6	-178.5	-53.2	0	0	0	0	112.1	R229 D266	R229-S269 PolarHBondContact NH1-O 2.84Å; R229-S269 PolarHBondContact NH2-O 3.28Å; D266-S269 VanDerWaalsContact CG-OG 3.3Å; D266-S269 WeakPolarHBondContact OD1-CB 3.13Å; D266-S269 PolarHBondContact OD1-N 3.32Å; D266-S269 PolarHBondContact OD1-OG 3.16Å; D266-S269 WeakPolarHBondContact OD2-CB 3.33Å; D266-S269 PolarHBondContact OD2-OG 3.26Å
270	P	91.4	Very high	92.3	Very high	70 Å²	70	45.4 Å²	45.4	46%	0.455	23%	0.227	S	C	.	.			trans	-54.3	148.1	168.7	-26.7	36.8	0	0	0	112.8	E272 D273	P270-E272 HydrophobicContact CB-CG 3.76Å; P270-E272 PolarHBondContact O-N 3.48Å; P270-E272 VanDerWaalsContact O-N 3.15Å; P270-D273 PolarHBondContact O-N 3.12Å; P270-D273 VanDerWaalsContact O-N 3.07Å
271	L	86.1	Confident	92.2	Very high	70 Å²	70	44 Å²	44	37%	0.366	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.9	-179.7	-71.9	176.7	0	0	0	113.6	I231 D273 K277	I231-L271 HydrophobicContact CG2-CD1 4.33Å; I231-L271 HydrophobicContact CG2-CD2 4.33Å; L271-D273 VanDerWaalsContact C-N 3.3Å; L271-K277 WeakPolarHBondContact O-CE 3.4Å; L271-K277 PolarHBondContact O-NZ 3.32Å
272	E	86.3	Confident	92	Very high	154 Å²	154	47 Å²	47	72%	0.72	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.2	174.5	55.8	-176.1	173	0	0	113.5	P270	P270-E272 HydrophobicContact CB-CG 3.76Å; P270-E272 PolarHBondContact O-N 3.48Å; P270-E272 VanDerWaalsContact O-N 3.15Å
273	D	88.3	Confident	91.7	Very high	81 Å²	81	44.8 Å²	44.8	43%	0.433	23%	0.231	S	C	.	.	S	Bend	trans	-89.4	-10.8	179.5	-67.3	-33.5	0	0	0	113	P270 L271	P270-D273 PolarHBondContact O-N 3.12Å; P270-D273 VanDerWaalsContact O-N 3.07Å; L271-D273 VanDerWaalsContact C-N 3.3Å
274	V	91.4	Very high	91.3	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.03	27%	0.27	C	S	.	.			trans	-80.7	128	174.9	-178.5	0	0	0	0	108.9	R229 I276 K277	R229-V274 HydrophobicContact CB-CG1 3.82Å; R229-V274 HydrophobicContact CB-CG2 4.21Å; V274-I276 WeakPolarHBondContact CG1-O 3.3Å; V274-K277 HydrophobicContact CB-CG 4.41Å; V274-K277 HydrophobicContact CG1-CG 3.96Å
275	D	91.9	Very high	90.9	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.037	27%	0.266	C	S	.	.	S	Bend	trans	-83.8	-34.1	-178.4	-59.2	-62.1	0	0	0	112.1	K210 F221 K223 L226 R227 G306	K210-D275 IonicContact NZ-OD1 2.73Å; K210-D275 PolarHBondContact NZ-OD1 3.47Å; F221-D275 HydrophobicContact CE1-CB 4.43Å; K223-D275 IonicContact NZ-OD1 2.73Å; L226-D275 HydrophobicContact CD2-CB 4.32Å; R227-D275 PolarHBondContact N-OD2 3.33Å; R227-D275 VanDerWaalsContact N-OD2 3.12Å; R227-D275 WeakPolarHBondContact O-CA 3.3Å; R227-D275 PolarHBondContact O-N 3.13Å; D275-G306 WeakPolarHBondContact O-CA 3.48Å
276	I	93.8	Very high	90.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	123.3	-179.3	-51.6	175.7	0	0	0	110.8	F221 L226 R227 W228 R229 F252 F263 V274 L278 G306 I308 V338	F221-I276 HydrophobicContact CZ-CG1 4.25Å; L226-I276 HydrophobicContact CD1-CD1 4.39Å; R227-I276 PolarHBondContact O-N 3.35Å; W228-I276 CarbonylContact C-O 3.44Å; W228-I276 WeakPolarHBondContact CA-O 3.36Å; W228-I276 HydrophobicContact CB-CB 4.02Å; R229-I276 PolarHBondContact N-O 2.68Å; F252-I276 HydrophobicContact CE1-CD1 3.74Å; F252-I276 HydrophobicContact CE1-CG2 4.35Å; F252-I276 HydrophobicContact CZ-CB 4.35Å; F252-I276 HydrophobicContact CZ-CD1 4.28Å; F252-I276 HydrophobicContact CZ-CG2 3.89Å; F263-I276 HydrophobicContact CD1-CD1 4.5Å; F263-I276 HydrophobicContact CE1-CD1 4.23Å; V274-I276 WeakPolarHBondContact CG1-O 3.3Å; I276-L278 HydrophobicContact CG2-CD2 4.17Å; I276-G306 CarbonylContact C-O 3.59Å; I276-G306 WeakPolarHBondContact CA-O 3.48Å; I276-G306 WeakPolarHBondContact CG2-O 3.36Å; I276-I308 HydrophobicContact CG2-CD1 4.35Å; I276-I308 HydrophobicContact CG2-CG1 4.48Å; I276-V338 HydrophobicContact CD1-CG1 3.75Å; I276-V338 HydrophobicContact CG1-CG1 3.77Å; I276-V338 HydrophobicContact CG2-CG1 4.1Å
277	K	93.3	Very high	89.7	Confident	49 Å²	49	59.7 Å²	59.7	21%	0.213	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.5	179.7	-47.6	174.3	-166.3	161.1	0	109.7	R229 I231 L271 V274 G306 D307 I308	R229-K277 CarbonylContact O-C 3.5Å; R229-K277 WeakPolarHBondContact O-CA 3.21Å; I231-K277 HydrophobicContact CD1-CB 3.73Å; I231-K277 HydrophobicContact CD1-CD 4.16Å; I231-K277 HydrophobicContact CD1-CG 4.47Å; I231-K277 HydrophobicContact CG1-CB 3.9Å; L271-K277 WeakPolarHBondContact O-CE 3.4Å; L271-K277 PolarHBondContact O-NZ 3.32Å; V274-K277 HydrophobicContact CB-CG 4.41Å; V274-K277 HydrophobicContact CG1-CG 3.96Å; K277-G306 PolarHBondContact N-O 2.98Å; K277-D307 WeakPolarHBondContact CB-OD1 3.06Å; K277-D307 WeakPolarHBondContact CD-OD1 3.5Å; K277-D307 CarbonylContact O-C 3.46Å; K277-D307 WeakPolarHBondContact O-CA 3.32Å; K277-I308 PolarHBondContact O-N 2.97Å
278	L	94.8	Very high	89.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.6	-177.8	-50.3	175.3	0	0	0	109	W228 R229 L230 I231 F248 F252 I276 I308 F310	W228-L278 HydrophobicContact CE3-CD1 3.85Å; W228-L278 HydrophobicContact CZ3-CD1 4.11Å; R229-L278 PolarHBondContact O-N 2.94Å; L230-L278 WeakPolarHBondContact CA-O 3.18Å; L230-L278 HydrophobicContact CD1-CB 3.88Å; L230-L278 WeakPolarHBondContact CD1-O 3.37Å; I231-L278 WeakPolarHBondContact CG1-O 3.4Å; I231-L278 PolarHBondContact N-O 3.15Å; F248-L278 HydrophobicContact CB-CD1 3.84Å; F248-L278 HydrophobicContact CD1-CD1 3.72Å; F248-L278 HydrophobicContact CD2-CD1 3.79Å; F248-L278 HydrophobicContact CE1-CD1 4.2Å; F248-L278 HydrophobicContact CE2-CD1 4.26Å; F248-L278 HydrophobicContact CG-CD1 3.5Å; F248-L278 VanDerWaalsContact CG-CD1 3.5Å; F248-L278 HydrophobicContact CZ-CD1 4.44Å; F252-L278 HydrophobicContact CE2-CD1 3.92Å; F252-L278 HydrophobicContact CZ-CD1 4.44Å; F252-L278 HydrophobicContact CZ-CD2 4.45Å; I276-L278 HydrophobicContact CG2-CD2 4.17Å; L278-I308 WeakPolarHBondContact CA-O 3.32Å; L278-I308 HydrophobicContact CD2-CB 3.58Å; L278-I308 HydrophobicContact CD2-CD1 3.49Å; L278-I308 VanDerWaalsContact CD2-CD1 3.49Å; L278-I308 HydrophobicContact CD2-CG1 3.69Å; L278-I308 HydrophobicContact CD2-CG2 4.39Å; L278-F310 HydrophobicContact CB-CE2 4.37Å; L278-F310 HydrophobicContact CD2-CE2 4.38Å
279	G	94.1	Very high	88.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	153.7	171.1	0	0	0	0	0	113.3	G234 I308 H309 F310	G234-G279 CarbonylContact O-C 3.59Å; G234-G279 WeakPolarHBondContact O-CA 3.3Å; G279-I308 PolarHBondContact N-O 3.35Å; G279-H309 CarbonylContact O-C 3.43Å; G279-H309 VanDerWaalsContact O-CA 3.24Å; G279-H309 WeakPolarHBondContact O-CA 3.34Å; G279-F310 PolarHBondContact O-N 2.77Å
280	F	94.3	Very high	88.3	Confident	7 Å²	7	49 Å²	49	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	149.3	171.5	-67.1	-94.5	0	0	0	110	L230 G234 S236 Q244 F248 F310 D312 F316 L327	L230-F280 HydrophobicContact CD1-CD2 4.43Å; L230-F280 HydrophobicContact CD1-CE2 4.32Å; G234-F280 WeakPolarHBondContact CA-O 3.33Å; G234-F280 WeakPolarHBondContact O-CD2 3.48Å; G234-F280 PolarHBondContact O-N 3.16Å; S236-F280 VanDerWaalsContact N-CD2 3.33Å; Q244-F280 HydrophobicContact CG-CE2 4.2Å; F248-F280 AromaticContact CE2-CE2 3.88Å; F248-F280 HydrophobicContact CE2-CE2 3.88Å; F248-F280 HydrophobicContact CE2-CZ 4.3Å; F248-F280 AromaticContact CZ-CE2 3.7Å; F248-F280 HydrophobicContact CZ-CE2 3.7Å; F248-F280 AromaticContact CZ-CZ 3.76Å; F248-F280 HydrophobicContact CZ-CZ 3.76Å; F280-F310 WeakPolarHBondContact CA-O 3.37Å; F280-F310 HydrophobicContact CD1-CB 3.53Å; F280-F310 HydrophobicContact CD1-CG 4.39Å; F280-F310 HydrophobicContact CE1-CB 3.58Å; F280-F310 HydrophobicContact CE1-CD2 4.47Å; F280-F310 HydrophobicContact CE1-CG 4.07Å; F280-F310 HydrophobicContact CG-CB 4.23Å; F280-F310 HydrophobicContact CZ-CB 4.32Å; F280-F310 HydrophobicContact CZ-CD2 4.41Å; F280-F310 HydrophobicContact CZ-CG 4.38Å; F280-D312 HydrophobicContact CB-CB 4.08Å; F280-F316 HydrophobicContact CD1-CD2 4.32Å; F280-F316 HydrophobicContact CD1-CE2 4.33Å; F280-F316 AromaticContact CE1-CD2 3.8Å; F280-F316 HydrophobicContact CE1-CD2 3.8Å; F280-F316 AromaticContact CE1-CE2 4Å; F280-F316 HydrophobicContact CE1-CE2 4Å; F280-L327 HydrophobicContact CE1-CD1 3.95Å; F280-L327 HydrophobicContact CE1-CD2 4.45Å; F280-L327 HydrophobicContact CZ-CD1 3.78Å; F280-L327 HydrophobicContact CZ-CD2 3.75Å; F280-L327 HydrophobicContact CZ-CG 4.44Å
281	G	91.1	Very high	88.1	Confident	10 Å²	10	51.9 Å²	51.9	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	163.5	173.1	0	0	0	0	0	112.4	F292 F310 D311 D312	G281-F292 VanDerWaalsContact O-CD2 3.27Å; G281-F292 WeakPolarHBondContact O-CD2 3.22Å; G281-F310 PolarHBondContact N-O 2.96Å; G281-D311 WeakPolarHBondContact O-CA 3.19Å; G281-D312 PolarHBondContact O-N 2.8Å
282	T	88.9	Confident	88.1	Confident	63 Å²	63	48.7 Å²	48.7	39%	0.387	26%	0.258	S	S	.	.	S	Bend	trans	-120.1	143.8	176.4	61	0	0	0	0	109.5	R284 D312 D313	T282-R284 CarbonylContact O-C 3.58Å; T282-R284 PolarHBondContact O-N 3.29Å; T282-D312 HydrophobicContact CG2-CB 3.79Å; T282-D313 HydrophobicContact CG2-CB 4.46Å; T282-D313 VanDerWaalsContact CG2-OD1 3.3Å; T282-D313 WeakPolarHBondContact CG2-OD1 3.43Å
283	G	87.9	Confident	88	Confident	12 Å²	12	42.8 Å²	42.8	12%	0.124	23%	0.232	C	C	.	.	S	Bend	trans	47	-113.2	-179.2	0	0	0	0	0	113.3	H285 K291 F292	G283-H285 PolarHBondContact O-ND1 3.43Å; G283-K291 WeakPolarHBondContact O-CA 3.25Å; G283-K291 WeakPolarHBondContact O-CG 3.38Å; G283-F292 PolarHBondContact O-N 3.04Å
284	R	86.9	Confident	87.7	Confident	218 Å²	218	39.1 Å²	39.1	82%	0.823	21%	0.212	S	C	*	.	S	Bend	trans	-83.7	118.6	173	-74.7	-174.3	179.7	177.8	-0.1	109.3	T282 K291	T282-R284 CarbonylContact O-C 3.58Å; T282-R284 PolarHBondContact O-N 3.29Å; R284-K291 HydrophobicContact CG-CG 4.13Å
285	H	87.2	Confident	87.3	Confident	13 Å²	13	39.9 Å²	39.9	6%	0.06	22%	0.217	C	C	.	.			trans	-139.8	152.2	-170.9	57	-82.4	0	0	0	111.6	G283 G287 C288 Q290 F292 H301 H309	G283-H285 PolarHBondContact O-ND1 3.43Å; H285-G287 PolarHBondContact O-N 2.99Å; H285-C288 WeakPolarHBondContact NE2-CB 3.28Å; H285-C288 WeakPolarHBondContact O-CB 3.42Å; H285-C288 PolarHBondContact O-N 3.11Å; H285-Q290 PolarHBondContact CE1-O 3.42Å; H285-F292 AromaticContact CD2-CE2 3.9Å; H285-F292 AromaticContact CE1-CD2 3.29Å; H285-F292 WeakPolarHBondContact CE1-CD2 3.45Å; H285-F292 AromaticContact CE1-CE2 3.21Å; H285-F292 WeakPolarHBondContact CE1-CE2 3.46Å; H285-F292 AromaticContact CE1-CG 3.97Å; H285-F292 AromaticContact CE1-CZ 3.83Å; H285-F292 AromaticContact CG-CE2 3.97Å; H285-F292 AromaticContact ND1-CD2 3.34Å; H285-F292 VanDerWaalsContact ND1-CD2 3.34Å; H285-F292 WeakPolarHBondContact ND1-CD2 3.35Å; H285-F292 AromaticContact ND1-CE2 3.56Å; H285-F292 AromaticContact NE2-CE2 3.46Å; H285-F292 WeakPolarHBondContact NE2-CE2 3.48Å; H285-F292 AromaticContact NE2-CZ 3.91Å; H285-H301 AromaticContact CE1-CE1 3.62Å; H285-H301 AromaticContact CE1-NE2 3.87Å; H285-H301 AromaticContact NE2-CE1 3.61Å; H285-H301 AromaticContact NE2-NE2 3.38Å; H285-H301 PolarHBondContact NE2-NE2 3.01Å; H285-H309 AromaticContact CD2-CG 3.74Å; H285-H309 AromaticContact CD2-ND1 3.56Å; H285-H309 AromaticContact NE2-CG 3.58Å; H285-H309 AromaticContact NE2-ND1 3.17Å; H285-H309 PolarHBondContact NE2-ND1 3.35Å; H285-H309 VanDerWaalsContact NE2-ND1 3.17Å
286	L	83.1	Confident	86.6	Confident	68 Å²	68	40.9 Å²	40.9	36%	0.356	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	24.8	166.2	-55.4	175.6	0	0	0	116.9	E233 C288	E233-L286 HydrophobicContact CB-CD2 4.48Å; L286-C288 PolarHBondContact O-N 2.82Å
287	G	79.9	Confident	86.1	Confident	87 Å²	87	41.7 Å²	41.7	90%	0.897	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	12.7	-173.8	0	0	0	0	0	114.6	H285	H285-G287 PolarHBondContact O-N 2.99Å
288	C	82.5	Confident	85.9	Confident	23 Å²	23	39.3 Å²	39.3	16%	0.155	22%	0.223	C	C	.	.			trans	-70.9	143.5	174.6	-169.1	0	0	0	0	111.3	H285 L286 Q290 W303	H285-C288 WeakPolarHBondContact NE2-CB 3.28Å; H285-C288 WeakPolarHBondContact O-CB 3.42Å; H285-C288 PolarHBondContact O-N 3.11Å; L286-C288 PolarHBondContact O-N 2.82Å; C288-Q290 PolarHBondContact SG-N 2.93Å; C288-Q290 PolarHBondContact SG-O 3.47Å; C288-W303 WeakPolarHBondContact SG-CZ3 3.49Å
289	N	79.8	Confident	85.7	Confident	61 Å²	61	39.5 Å²	39.5	33%	0.326	22%	0.223	S	C	.	.	S	Bend	trans	-86.6	-25	176	56	-3.8	0	0	0	113.1	I67 Q68 W303	I67-N289 HydrophobicContact CG2-CB 4.48Å; I67-N289 WeakPolarHBondContact CG2-ND2 3.47Å; I67-N289 PolarHBondContact O-ND2 3.45Å; Q68-N289 VanDerWaalsContact CA-ND2 3.34Å; Q68-N289 WeakPolarHBondContact CA-ND2 3.03Å; Q68-N289 PolarHBondContact N-ND2 3.15Å; Q68-N289 VanDerWaalsContact N-ND2 3.16Å; N289-W303 VanDerWaalsContact OD1-CH2 3.25Å; N289-W303 WeakPolarHBondContact OD1-CH2 3.27Å; N289-W303 WeakPolarHBondContact OD1-CZ2 3.48Å
290	Q	81.5	Confident	85.5	Confident	32 Å²	32	39.5 Å²	39.5	15%	0.15	22%	0.223	C	C	.	.	S	Bend	trans	-83.4	120.5	171.8	-179.9	165.6	-11	0	0	109.3	G151 H285 C288 E298 W303	G151-Q290 PolarHBondContact O-NE2 2.76Å; H285-Q290 PolarHBondContact CE1-O 3.42Å; C288-Q290 PolarHBondContact SG-N 2.93Å; C288-Q290 PolarHBondContact SG-O 3.47Å; Q290-E298 VanDerWaalsContact NE2-CD 3.3Å; Q290-E298 PolarHBondContact NE2-OE1 3.45Å; Q290-E298 PolarHBondContact NE2-OE2 3.32Å; Q290-E298 VanDerWaalsContact NE2-OE2 3.09Å; Q290-W303 HydrophobicContact CB-CH2 3.49Å; Q290-W303 VanDerWaalsContact CB-CH2 3.49Å; Q290-W303 HydrophobicContact CB-CZ3 4.09Å; Q290-W303 HydrophobicContact CG-CH2 4.48Å
291	K	87.2	Confident	85.1	Confident	130 Å²	130	39.3 Å²	39.3	57%	0.565	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-88.1	132.1	176.9	-166.9	-161.6	170.2	-168.5	0	108.3	G283 R284	G283-K291 WeakPolarHBondContact O-CA 3.25Å; G283-K291 WeakPolarHBondContact O-CG 3.38Å; R284-K291 HydrophobicContact CG-CG 4.13Å
292	F	86.9	Confident	84.7	Confident	3 Å²	3	39 Å²	39	1%	0.013	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-64.4	149.9	167.1	-71.9	-53.4	0	0	0	111.4	G281 G283 H285 E298 H301 H309 D311	G281-F292 VanDerWaalsContact O-CD2 3.27Å; G281-F292 WeakPolarHBondContact O-CD2 3.22Å; G283-F292 PolarHBondContact O-N 3.04Å; H285-F292 AromaticContact CD2-CE2 3.9Å; H285-F292 AromaticContact CE1-CD2 3.29Å; H285-F292 WeakPolarHBondContact CE1-CD2 3.45Å; H285-F292 AromaticContact CE1-CE2 3.21Å; H285-F292 WeakPolarHBondContact CE1-CE2 3.46Å; H285-F292 AromaticContact CE1-CG 3.97Å; H285-F292 AromaticContact CE1-CZ 3.83Å; H285-F292 AromaticContact CG-CE2 3.97Å; H285-F292 AromaticContact ND1-CD2 3.34Å; H285-F292 VanDerWaalsContact ND1-CD2 3.34Å; H285-F292 WeakPolarHBondContact ND1-CD2 3.35Å; H285-F292 AromaticContact ND1-CE2 3.56Å; H285-F292 AromaticContact NE2-CE2 3.46Å; H285-F292 WeakPolarHBondContact NE2-CE2 3.48Å; H285-F292 AromaticContact NE2-CZ 3.91Å; F292-E298 HydrophobicContact CD1-CG 4.21Å; F292-E298 HydrophobicContact CE1-CG 4.35Å; F292-H301 AromaticContact CE1-CE1 3.39Å; F292-H301 WeakPolarHBondContact CE1-CE1 3.04Å; F292-H301 AromaticContact CE1-ND1 3.34Å; F292-H301 VanDerWaalsContact CE1-ND1 3.34Å; F292-H301 WeakPolarHBondContact CE1-ND1 3.36Å; F292-H301 AromaticContact CZ-CE1 3.49Å; F292-H301 VanDerWaalsContact CZ-CE1 3.49Å; F292-H301 WeakPolarHBondContact CZ-CE1 2.9Å; F292-H301 AromaticContact CZ-ND1 3.83Å; F292-H301 AromaticContact CZ-NE2 3.96Å; F292-H309 HydrophobicContact CE2-CB 4.13Å; F292-H309 HydrophobicContact CZ-CB 3.79Å; F292-D311 HydrophobicContact CB-CB 4.28Å; F292-D311 WeakPolarHBondContact CB-OD2 3.44Å; F292-D311 HydrophobicContact CD1-CB 3.71Å; F292-D311 HydrophobicContact CD2-CB 3.91Å; F292-D311 HydrophobicContact CE1-CB 3.96Å; F292-D311 HydrophobicContact CE2-CB 4.13Å; F292-D311 HydrophobicContact CG-CB 3.71Å; F292-D311 HydrophobicContact CZ-CB 4.17Å
293	D	82.6	Confident	83.8	Confident	30 Å²	30	38.6 Å²	38.6	16%	0.16	21%	0.21	C	C	.	.			trans	-95.4	-3.2	-177.5	51.1	19.1	0	0	0	114.1	A40 R55 E298	A40-D293 VanDerWaalsContact CA-O 3.31Å; A40-D293 WeakPolarHBondContact CA-O 3.34Å; A40-D293 HydrophobicContact CB-CB 4.14Å; R55-D293 IonicContact NH1-OD2 2.72Å; R55-D293 PolarHBondContact NH1-OD2 2.97Å; R55-D293 VanDerWaalsContact NH1-OD2 3.13Å; D293-E298 WeakPolarHBondContact OD1-CB 3.37Å; D293-E298 PolarHBondContact OD1-N 3.47Å
294	G	82.9	Confident	82.2	Confident	3 Å²	3	39.6 Å²	39.6	3%	0.031	21%	0.211	C	C	.	.			trans	91.7	-169.3	-177.5	0	0	0	0	0	111	H38 G296 D311	H38-G294 CarbonylContact O-C 3.57Å; H38-G294 VanDerWaalsContact O-CA 3.29Å; H38-G294 WeakPolarHBondContact O-CA 3.09Å; G294-G296 PolarHBondContact O-N 3.15Å; G294-D311 PolarHBondContact N-OD2 3.14Å
295	T	82.3	Confident	80.6	Confident	22 Å²	22	30.2 Å²	30.2	14%	0.135	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-64	132.1	-171.4	-40.7	0	0	0	0	113	I34 H38 A40 D313 E314	I34-T295 HydrophobicContact CD1-CG2 3.93Å; H38-T295 PolarHBondContact O-N 2.84Å; A40-T295 WeakPolarHBondContact CB-O 3.31Å; A40-T295 PolarHBondContact N-O 3.15Å; T295-D313 PolarHBondContact OG1-O 3.49Å; T295-E314 WeakPolarHBondContact CG2-OE2 3.22Å
296	G	78.1	Confident	79.7	Confident	27 Å²	27	29.9 Å²	29.9	28%	0.278	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	116.1	-8.9	157.8	0	0	0	0	0	115.8	P148 G294 E314	P148-G296 WeakPolarHBondContact CG-O 3.47Å; G294-G296 PolarHBondContact O-N 3.15Å; G296-E314 WeakPolarHBondContact CA-OE1 3.43Å; G296-E314 PolarHBondContact N-OE1 2.84Å
297	Q	82.9	Confident	79.7	Confident	17 Å²	17	29.5 Å²	29.5	8%	0.079	18%	0.176	C	C	.	.	S	Bend	trans	-123	-74.8	-178.3	-80	-178	72.7	0	0	112.6	A40 P41 P148 R149	A40-Q297 HydrophobicContact CB-CB 3.79Å; A40-Q297 HydrophobicContact CB-CG 3.86Å; A40-Q297 VanDerWaalsContact CB-NE2 3.31Å; P41-Q297 VanDerWaalsContact C-NE2 3.34Å; P41-Q297 PolarHBondContact O-NE2 3.39Å; P148-Q297 CarbonylContact C-O 3.58Å; P148-Q297 VanDerWaalsContact CA-O 3.3Å; P148-Q297 WeakPolarHBondContact CA-O 3.36Å; R149-Q297 PolarHBondContact N-O 2.69Å
298	E	88.5	Confident	80.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	104.1	-175.9	-174	178.1	140.9	0	0	110.8	R55 Q290 F292 D293 H301 D311	R55-E298 IonicContact NH1-OE2 3.04Å; Q290-E298 VanDerWaalsContact NE2-CD 3.3Å; Q290-E298 PolarHBondContact NE2-OE1 3.45Å; Q290-E298 PolarHBondContact NE2-OE2 3.32Å; Q290-E298 VanDerWaalsContact NE2-OE2 3.09Å; F292-E298 HydrophobicContact CD1-CG 4.21Å; F292-E298 HydrophobicContact CE1-CG 4.35Å; D293-E298 WeakPolarHBondContact OD1-CB 3.37Å; D293-E298 PolarHBondContact OD1-N 3.47Å; E298-H301 IonicContact OE1-CE1 3.05Å; E298-H301 IonicContact OE1-CG 2.89Å; E298-H301 IonicContact OE1-ND1 3.54Å; E298-H301 PolarHBondContact OE1-ND1 3.22Å; E298-D311 WeakPolarHBondContact O-CB 3.35Å
299	F	91.1	Very high	80.9	Confident	4 Å²	4	24.9 Å²	24.9	2%	0.018	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-26.4	-178	54.5	-113.1	0	0	0	114.1	P148 R149 C150 D311 E314 F316 I325 V330 Y355	P148-F299 HydrophobicContact CB-CD1 4.16Å; R149-F299 WeakPolarHBondContact O-CD1 3.42Å; R149-F299 WeakPolarHBondContact O-CE1 3.34Å; R149-F299 PolarHBondContact O-N 2.92Å; C150-F299 HydrophobicContact CB-CE2 4.13Å; C150-F299 HydrophobicContact CB-CZ 4Å; F299-D311 PolarHBondContact O-N 2.83Å; F299-E314 HydrophobicContact CB-CG 4.08Å; F299-F316 HydrophobicContact CB-CZ 4.42Å; F299-F316 WeakPolarHBondContact O-CZ 3.31Å; F299-I325 HydrophobicContact CB-CD1 4.4Å; F299-V330 HydrophobicContact CD2-CB 4.11Å; F299-V330 HydrophobicContact CD2-CG1 3.31Å; F299-V330 HydrophobicContact CD2-CG2 3.64Å; F299-V330 HydrophobicContact CE2-CB 4.24Å; F299-V330 HydrophobicContact CE2-CG1 3.61Å; F299-V330 HydrophobicContact CE2-CG2 3.84Å; F299-V330 HydrophobicContact CG-CG1 4.34Å; F299-V330 HydrophobicContact CG-CG2 4.04Å; F299-V330 HydrophobicContact CZ-CG2 4.36Å; F299-Y355 HydrophobicContact CE1-CD2 4.41Å
300	A	89.6	Confident	81.6	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	163.3	-178.7	0	0	0	0	0	109.8	G151 H309 F310 V330 E334	G151-A300 PolarHBondContact N-O 3.4Å; A300-H309 CarbonylContact C-O 3.44Å; A300-H309 WeakPolarHBondContact CA-O 3.36Å; A300-H309 VanDerWaalsContact CB-O 3.23Å; A300-H309 WeakPolarHBondContact CB-O 3.46Å; A300-F310 HydrophobicContact CB-CD1 3.96Å; A300-F310 HydrophobicContact CB-CE1 4.48Å; A300-V330 HydrophobicContact CB-CG1 3.65Å; A300-E334 HydrophobicContact CB-CG 3.63Å
301	H	87.1	Confident	82.1	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.009	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.4	163.5	52.9	-120	0	0	0	110.7	H285 F292 E298 W303 H309	H285-H301 AromaticContact CE1-CE1 3.62Å; H285-H301 AromaticContact CE1-NE2 3.87Å; H285-H301 AromaticContact NE2-CE1 3.61Å; H285-H301 AromaticContact NE2-NE2 3.38Å; H285-H301 PolarHBondContact NE2-NE2 3.01Å; F292-H301 AromaticContact CE1-CE1 3.39Å; F292-H301 WeakPolarHBondContact CE1-CE1 3.04Å; F292-H301 AromaticContact CE1-ND1 3.34Å; F292-H301 VanDerWaalsContact CE1-ND1 3.34Å; F292-H301 WeakPolarHBondContact CE1-ND1 3.36Å; F292-H301 AromaticContact CZ-CE1 3.49Å; F292-H301 VanDerWaalsContact CZ-CE1 3.49Å; F292-H301 WeakPolarHBondContact CZ-CE1 2.9Å; F292-H301 AromaticContact CZ-ND1 3.83Å; F292-H301 AromaticContact CZ-NE2 3.96Å; E298-H301 IonicContact OE1-CE1 3.05Å; E298-H301 IonicContact OE1-CG 2.89Å; E298-H301 IonicContact OE1-ND1 3.54Å; E298-H301 PolarHBondContact OE1-ND1 3.22Å; H301-W303 AromaticContact CD2-CE3 3.73Å; H301-W303 AromaticContact CD2-CZ3 3.35Å; H301-W303 WeakPolarHBondContact CD2-CZ3 3.33Å; H301-W303 AromaticContact CG-CZ3 3.99Å; H301-W303 AromaticContact NE2-CZ3 3.47Å; H301-W303 WeakPolarHBondContact NE2-CZ3 3.42Å; H301-H309 AromaticContact CD2-ND1 3.82Å; H301-H309 PolarHBondContact N-O 2.89Å; H301-H309 AromaticContact NE2-CG 3.77Å; H301-H309 AromaticContact NE2-ND1 3.22Å; H301-H309 PolarHBondContact NE2-ND1 3.44Å; H301-H309 PolarHBondContact O-N 2.9Å
302	A	81.6	Confident	82.4	Confident	3 Å²	3	15.4 Å²	15.4	3%	0.025	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.3	172.9	0	0	0	0	0	111	R64 V152 I308 E334 H337 V338	R64-A302 PolarHBondContact NH2-O 3.39Å; V152-A302 HydrophobicContact CG2-CB 4.44Å; V152-A302 WeakPolarHBondContact CG2-O 3.32Å; A302-I308 HydrophobicContact CB-CG1 4.23Å; A302-E334 HydrophobicContact CB-CB 4.16Å; A302-E334 WeakPolarHBondContact CB-OE2 3.36Å; A302-E334 PolarHBondContact N-OE2 2.88Å; A302-H337 HydrophobicContact CB-CB 3.88Å; A302-V338 HydrophobicContact CB-CG2 3.92Å
303	W	71.1	Confident	82.5	Confident	56 Å²	56	16.9 Å²	16.9	21%	0.212	9%	0.093	C	C	.	.			trans	-78.3	145.6	166.2	-105.3	-93.5	0	0	0	111.1	R64 C288 N289 Q290 H301 L305 D307	R64-W303 PolarHBondContact O-NE1 3.27Å; C288-W303 WeakPolarHBondContact SG-CZ3 3.49Å; N289-W303 VanDerWaalsContact OD1-CH2 3.25Å; N289-W303 WeakPolarHBondContact OD1-CH2 3.27Å; N289-W303 WeakPolarHBondContact OD1-CZ2 3.48Å; Q290-W303 HydrophobicContact CB-CH2 3.49Å; Q290-W303 VanDerWaalsContact CB-CH2 3.49Å; Q290-W303 HydrophobicContact CB-CZ3 4.09Å; Q290-W303 HydrophobicContact CG-CH2 4.48Å; H301-W303 AromaticContact CD2-CE3 3.73Å; H301-W303 AromaticContact CD2-CZ3 3.35Å; H301-W303 WeakPolarHBondContact CD2-CZ3 3.33Å; H301-W303 AromaticContact CG-CZ3 3.99Å; H301-W303 AromaticContact NE2-CZ3 3.47Å; H301-W303 WeakPolarHBondContact NE2-CZ3 3.42Å; W303-L305 PolarHBondContact O-N 2.91Å; W303-D307 PolarHBondContact N-O 3.3Å
304	F	54.1	Low	82.8	Confident	32 Å²	32	15.8 Å²	15.8	14%	0.14	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	116.9	173.4	-163.3	-120.3	0	0	0	109.8	M219	M219-F304 HydrophobicContact CB-CD1 4.5Å; M219-F304 HydrophobicContact CB-CE1 3.24Å; M219-F304 HydrophobicContact CB-CE2 4.3Å; M219-F304 HydrophobicContact CB-CZ 3.14Å; M219-F304 HydrophobicContact CE-CD1 3.87Å; M219-F304 HydrophobicContact CE-CE1 3.6Å; M219-F304 HydrophobicContact CG-CE1 3.98Å; M219-F304 HydrophobicContact CG-CZ 4.33Å; M219-F304 VanDerWaalsContact O-CZ 3.28Å; M219-F304 WeakPolarHBondContact O-CZ 3.04Å; M219-F304 HydrophobicContact SD-CD1 4.3Å; M219-F304 HydrophobicContact SD-CE1 3.59Å; M219-F304 VanDerWaalsContact SD-CE1 3.59Å; M219-F304 HydrophobicContact SD-CZ 4.49Å
305	L	53.7	Low	83	Confident	22 Å²	22	18.4 Å²	18.4	12%	0.115	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	48	172.3	-55.4	170.4	0	0	0	116.3	R211 F221 W303	R211-L305 HydrophobicContact CG-CD1 3.57Å; F221-L305 HydrophobicContact CD1-CD2 3.92Å; F221-L305 HydrophobicContact CD2-CD2 3.97Å; F221-L305 HydrophobicContact CE1-CD2 3.59Å; F221-L305 HydrophobicContact CE2-CD2 3.63Å; F221-L305 HydrophobicContact CG-CD2 4.1Å; F221-L305 HydrophobicContact CZ-CB 4.47Å; F221-L305 HydrophobicContact CZ-CD2 3.44Å; F221-L305 VanDerWaalsContact CZ-CD2 3.44Å; W303-L305 PolarHBondContact O-N 2.91Å
306	G	66.9	Low	83.4	Confident	6 Å²	6	17.5 Å²	17.5	6%	0.062	9%	0.092	C	C	.	.	S	Bend	trans	169.7	-47.9	144.6	0	0	0	0	0	114.6	D275 I276 K277	D275-G306 WeakPolarHBondContact O-CA 3.48Å; I276-G306 CarbonylContact C-O 3.59Å; I276-G306 WeakPolarHBondContact CA-O 3.48Å; I276-G306 WeakPolarHBondContact CG2-O 3.36Å; K277-G306 PolarHBondContact N-O 2.98Å
307	D	84.1	Confident	83.8	Confident	60 Å²	60	16.8 Å²	16.8	32%	0.321	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.8	-163	-57.8	-22.8	0	0	0	110.7	K277 W303	K277-D307 WeakPolarHBondContact CB-OD1 3.06Å; K277-D307 WeakPolarHBondContact CD-OD1 3.5Å; K277-D307 CarbonylContact O-C 3.46Å; K277-D307 WeakPolarHBondContact O-CA 3.32Å; W303-D307 PolarHBondContact N-O 3.3Å
308	I	93.4	Very high	83.9	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.8	172.2	-50.1	-175	0	0	0	107.8	I276 K277 L278 G279 A302 F310 E334 I335 V338	I276-I308 HydrophobicContact CG2-CD1 4.35Å; I276-I308 HydrophobicContact CG2-CG1 4.48Å; K277-I308 PolarHBondContact O-N 2.97Å; L278-I308 WeakPolarHBondContact CA-O 3.32Å; L278-I308 HydrophobicContact CD2-CB 3.58Å; L278-I308 HydrophobicContact CD2-CD1 3.49Å; L278-I308 VanDerWaalsContact CD2-CD1 3.49Å; L278-I308 HydrophobicContact CD2-CG1 3.69Å; L278-I308 HydrophobicContact CD2-CG2 4.39Å; G279-I308 PolarHBondContact N-O 3.35Å; A302-I308 HydrophobicContact CB-CG1 4.23Å; I308-F310 HydrophobicContact CB-CE2 4.23Å; I308-F310 HydrophobicContact CB-CZ 4.45Å; I308-F310 HydrophobicContact CG2-CD2 4.3Å; I308-F310 HydrophobicContact CG2-CE1 4.16Å; I308-F310 HydrophobicContact CG2-CE2 3.58Å; I308-F310 HydrophobicContact CG2-CZ 3.48Å; I308-F310 VanDerWaalsContact CG2-CZ 3.48Å; I308-E334 HydrophobicContact CD1-CB 4.04Å; I308-E334 HydrophobicContact CG2-CB 3.46Å; I308-E334 VanDerWaalsContact CG2-CB 3.46Å; I308-E334 HydrophobicContact CG2-CG 3.86Å; I308-I335 HydrophobicContact CD1-CB 4.42Å; I308-I335 HydrophobicContact CD1-CG1 3.68Å; I308-V338 HydrophobicContact CD1-CB 4.45Å; I308-V338 HydrophobicContact CD1-CG2 3.57Å; I308-V338 HydrophobicContact CG1-CG2 3.41Å; I308-V338 VanDerWaalsContact CG1-CG2 3.41Å
309	H	93.6	Very high	83.4	Confident	12 Å²	12	18.3 Å²	18.3	6%	0.056	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.2	174.7	-53.6	147.3	0	0	0	110.7	G279 H285 F292 A300 H301	G279-H309 CarbonylContact O-C 3.43Å; G279-H309 VanDerWaalsContact O-CA 3.24Å; G279-H309 WeakPolarHBondContact O-CA 3.34Å; H285-H309 AromaticContact CD2-CG 3.74Å; H285-H309 AromaticContact CD2-ND1 3.56Å; H285-H309 AromaticContact NE2-CG 3.58Å; H285-H309 AromaticContact NE2-ND1 3.17Å; H285-H309 PolarHBondContact NE2-ND1 3.35Å; H285-H309 VanDerWaalsContact NE2-ND1 3.17Å; F292-H309 HydrophobicContact CE2-CB 4.13Å; F292-H309 HydrophobicContact CZ-CB 3.79Å; A300-H309 CarbonylContact C-O 3.44Å; A300-H309 WeakPolarHBondContact CA-O 3.36Å; A300-H309 VanDerWaalsContact CB-O 3.23Å; A300-H309 WeakPolarHBondContact CB-O 3.46Å; H301-H309 AromaticContact CD2-ND1 3.82Å; H301-H309 PolarHBondContact N-O 2.89Å; H301-H309 AromaticContact NE2-CG 3.77Å; H301-H309 AromaticContact NE2-ND1 3.22Å; H301-H309 PolarHBondContact NE2-ND1 3.44Å; H301-H309 PolarHBondContact O-N 2.9Å
310	F	94.8	Very high	82.5	Confident	1 Å²	1	23.2 Å²	23.2	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.4	176.9	-57.1	-91.2	0	0	0	108.7	F248 L278 G279 F280 G281 A300 I308 D312 F316 L327 V330 A331 E334	F248-F310 HydrophobicContact CD1-CZ 4.38Å; F248-F310 HydrophobicContact CE1-CD2 4.34Å; F248-F310 HydrophobicContact CE1-CE1 4.14Å; F248-F310 AromaticContact CE1-CE2 3.53Å; F248-F310 HydrophobicContact CE1-CE2 3.53Å; F248-F310 AromaticContact CE1-CZ 3.42Å; F248-F310 HydrophobicContact CE1-CZ 3.42Å; F248-F310 VanDerWaalsContact CE1-CZ 3.42Å; F248-F310 HydrophobicContact CZ-CD2 4.09Å; F248-F310 AromaticContact CZ-CE2 3.65Å; F248-F310 HydrophobicContact CZ-CE2 3.65Å; F248-F310 HydrophobicContact CZ-CZ 4.02Å; L278-F310 HydrophobicContact CB-CE2 4.37Å; L278-F310 HydrophobicContact CD2-CE2 4.38Å; G279-F310 PolarHBondContact O-N 2.77Å; F280-F310 WeakPolarHBondContact CA-O 3.37Å; F280-F310 HydrophobicContact CD1-CB 3.53Å; F280-F310 HydrophobicContact CD1-CG 4.39Å; F280-F310 HydrophobicContact CE1-CB 3.58Å; F280-F310 HydrophobicContact CE1-CD2 4.47Å; F280-F310 HydrophobicContact CE1-CG 4.07Å; F280-F310 HydrophobicContact CG-CB 4.23Å; F280-F310 HydrophobicContact CZ-CB 4.32Å; F280-F310 HydrophobicContact CZ-CD2 4.41Å; F280-F310 HydrophobicContact CZ-CG 4.38Å; G281-F310 PolarHBondContact N-O 2.96Å; A300-F310 HydrophobicContact CB-CD1 3.96Å; A300-F310 HydrophobicContact CB-CE1 4.48Å; I308-F310 HydrophobicContact CB-CE2 4.23Å; I308-F310 HydrophobicContact CB-CZ 4.45Å; I308-F310 HydrophobicContact CG2-CD2 4.3Å; I308-F310 HydrophobicContact CG2-CE1 4.16Å; I308-F310 HydrophobicContact CG2-CE2 3.58Å; I308-F310 HydrophobicContact CG2-CZ 3.48Å; I308-F310 VanDerWaalsContact CG2-CZ 3.48Å; F310-D312 PolarHBondContact O-N 3.39Å; F310-F316 HydrophobicContact CB-CE2 3.9Å; F310-F316 HydrophobicContact CB-CZ 4.12Å; F310-F316 HydrophobicContact CD1-CZ 4.34Å; F310-L327 HydrophobicContact CD1-CD1 3.79Å; F310-L327 HydrophobicContact CE1-CD1 4.02Å; F310-L327 HydrophobicContact CG-CD1 4.31Å; F310-V330 HydrophobicContact CD1-CG1 3.85Å; F310-V330 HydrophobicContact CE1-CG1 3.87Å; F310-A331 HydrophobicContact CE1-CB 4.12Å; F310-A331 HydrophobicContact CZ-CB 4.11Å; F310-E334 HydrophobicContact CE1-CG 4.37Å
311	D	92.8	Very high	81.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	108.5	178.9	-169.9	-1.6	0	0	0	110.5	G281 F292 G294 E298 F299 D313 E314 F316	G281-D311 WeakPolarHBondContact O-CA 3.19Å; F292-D311 HydrophobicContact CB-CB 4.28Å; F292-D311 WeakPolarHBondContact CB-OD2 3.44Å; F292-D311 HydrophobicContact CD1-CB 3.71Å; F292-D311 HydrophobicContact CD2-CB 3.91Å; F292-D311 HydrophobicContact CE1-CB 3.96Å; F292-D311 HydrophobicContact CE2-CB 4.13Å; F292-D311 HydrophobicContact CG-CB 3.71Å; F292-D311 HydrophobicContact CZ-CB 4.17Å; G294-D311 PolarHBondContact N-OD2 3.14Å; E298-D311 WeakPolarHBondContact O-CB 3.35Å; F299-D311 PolarHBondContact O-N 2.83Å; D311-D313 PolarHBondContact O-N 3.34Å; D311-D313 WeakPolarHBondContact OD1-CB 3.44Å; D311-D313 PolarHBondContact OD1-N 3.46Å; D311-E314 HydrophobicContact CB-CG 4.15Å; D311-E314 WeakPolarHBondContact O-CB 3.38Å; D311-E314 PolarHBondContact O-N 3.48Å; D311-F316 WeakPolarHBondContact O-CE2 3.28Å
312	D	91.6	Very high	81.1	Confident	23 Å²	23	32.5 Å²	32.5	12%	0.123	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-5.1	-179.7	-147.9	39.8	0	0	0	112.7	S236 S237 Q238 F280 G281 T282 F310 E314	S236-D312 VanDerWaalsContact CA-OD1 3.32Å; S236-D312 WeakPolarHBondContact CA-OD1 3.43Å; S236-D312 WeakPolarHBondContact CB-OD1 3.4Å; S236-D312 PolarHBondContact OG-OD1 2.77Å; S237-D312 PolarHBondContact N-OD2 3.46Å; S237-D312 PolarHBondContact OG-OD2 3.36Å; Q238-D312 PolarHBondContact NE2-O 3.12Å; F280-D312 HydrophobicContact CB-CB 4.08Å; G281-D312 PolarHBondContact O-N 2.8Å; T282-D312 HydrophobicContact CG2-CB 3.79Å; F310-D312 PolarHBondContact O-N 3.39Å; D312-E314 VanDerWaalsContact C-N 3.29Å
313	D	89.3	Confident	80.6	Confident	35 Å²	35	37 Å²	37	19%	0.187	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-13.7	168.1	-72.6	-34.3	0	0	0	111.9	H38 T282 T295 D311	H38-D313 IonicContact ND1-OD1 3.64Å; H38-D313 PolarHBondContact ND1-OD1 3.1Å; H38-D313 IonicContact ND1-OD2 3.43Å; T282-D313 HydrophobicContact CG2-CB 4.46Å; T282-D313 VanDerWaalsContact CG2-OD1 3.3Å; T282-D313 WeakPolarHBondContact CG2-OD1 3.43Å; T295-D313 PolarHBondContact OG1-O 3.49Å; D311-D313 PolarHBondContact O-N 3.34Å; D311-D313 WeakPolarHBondContact OD1-CB 3.44Å; D311-D313 PolarHBondContact OD1-N 3.46Å
314	E	89	Confident	80.9	Confident	7 Å²	7	36.5 Å²	36.5	3%	0.033	22%	0.22	C	C	.	.	S	Bend	trans	-83	144.5	174.5	-70.8	-66.6	-178.9	0	0	112.8	Q238 T295 G296 F299 D311 D312 F316 I325	Q238-E314 PolarHBondContact NE2-O 2.87Å; Q238-E314 PolarHBondContact OE1-O 2.84Å; T295-E314 WeakPolarHBondContact CG2-OE2 3.22Å; G296-E314 WeakPolarHBondContact CA-OE1 3.43Å; G296-E314 PolarHBondContact N-OE1 2.84Å; F299-E314 HydrophobicContact CB-CG 4.08Å; D311-E314 HydrophobicContact CB-CG 4.15Å; D311-E314 WeakPolarHBondContact O-CB 3.38Å; D311-E314 PolarHBondContact O-N 3.48Å; D312-E314 VanDerWaalsContact C-N 3.29Å; E314-F316 HydrophobicContact CB-CD2 4.35Å; E314-F316 HydrophobicContact CB-CE2 4.02Å; E314-F316 HydrophobicContact CB-CZ 4.16Å; E314-F316 PolarHBondContact O-N 3.39Å; E314-I325 HydrophobicContact CB-CD1 4.31Å; E314-I325 HydrophobicContact CG-CD1 4.25Å; E314-I325 WeakPolarHBondContact OE2-CD1 3.48Å
315	H	87.6	Confident	82.5	Confident	58 Å²	58	35.7 Å²	35.7	27%	0.269	22%	0.217	S	C	.	.			trans	-81.3	84.9	176.6	-171.2	53	0	0	0	112.1	Q238 I325	Q238-H315 PolarHBondContact OE1-ND1 3.38Å; Q238-H315 VanDerWaalsContact OE1-ND1 3.16Å; H315-I325 PolarHBondContact O-N 3.36Å; H315-I325 VanDerWaalsContact O-N 3.14Å
316	F	89.9	Confident	84.3	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.2	176.9	-75.3	-59.3	0	0	0	112.8	L239 F280 F299 F310 D311 E314 I325 L327 V330	L239-F316 HydrophobicContact CD1-CB 4.36Å; F280-F316 HydrophobicContact CD1-CD2 4.32Å; F280-F316 HydrophobicContact CD1-CE2 4.33Å; F280-F316 AromaticContact CE1-CD2 3.8Å; F280-F316 HydrophobicContact CE1-CD2 3.8Å; F280-F316 AromaticContact CE1-CE2 4Å; F280-F316 HydrophobicContact CE1-CE2 4Å; F299-F316 HydrophobicContact CB-CZ 4.42Å; F299-F316 WeakPolarHBondContact O-CZ 3.31Å; F310-F316 HydrophobicContact CB-CE2 3.9Å; F310-F316 HydrophobicContact CB-CZ 4.12Å; F310-F316 HydrophobicContact CD1-CZ 4.34Å; D311-F316 WeakPolarHBondContact O-CE2 3.28Å; E314-F316 HydrophobicContact CB-CD2 4.35Å; E314-F316 HydrophobicContact CB-CE2 4.02Å; E314-F316 HydrophobicContact CB-CZ 4.16Å; E314-F316 PolarHBondContact O-N 3.39Å; F316-I325 CarbonylContact C-O 3.58Å; F316-I325 WeakPolarHBondContact CA-O 3.35Å; F316-I325 HydrophobicContact CD1-CB 4.27Å; F316-I325 HydrophobicContact CD1-CG2 3.99Å; F316-I325 HydrophobicContact CE1-CB 4.45Å; F316-I325 HydrophobicContact CE1-CG2 3.79Å; F316-L327 HydrophobicContact CB-CB 4.2Å; F316-L327 HydrophobicContact CD1-CB 4.03Å; F316-L327 HydrophobicContact CD1-CD1 3.95Å; F316-L327 HydrophobicContact CD2-CD1 4.46Å; F316-L327 HydrophobicContact CE1-CD1 4.17Å; F316-L327 HydrophobicContact CG-CB 4.32Å; F316-L327 HydrophobicContact CG-CD1 4.11Å; F316-V330 HydrophobicContact CE1-CB 4.28Å; F316-V330 HydrophobicContact CE1-CG1 4.3Å; F316-V330 HydrophobicContact CE1-CG2 4.13Å
317	T	88.4	Confident	85.5	Confident	12 Å²	12	35.4 Å²	35.4	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.8	178.3	64.2	0	0	0	0	112.3	S321 T323 I325 L327	T317-S321 VanDerWaalsContact CB-CB 3.5Å; T317-S321 WeakPolarHBondContact OG1-CB 3.44Å; T317-T323 VanDerWaalsContact CG2-O 3.22Å; T317-T323 WeakPolarHBondContact CG2-O 3.4Å; T317-T323 PolarHBondContact OG1-O 3Å; T317-I325 PolarHBondContact N-O 3.27Å; T317-L327 PolarHBondContact O-N 3.28Å
318	G	84.9	Confident	86	Confident	22 Å²	22	33.1 Å²	33.1	23%	0.227	20%	0.203	C	C	.	.			trans	-71.3	172.4	177.6	0	0	0	0	0	113.5	S320 S321	G318-S320 PolarHBondContact O-N 3.02Å; G318-S320 VanDerWaalsContact O-N 3.12Å; G318-S321 WeakPolarHBondContact O-CB 3.47Å; G318-S321 PolarHBondContact O-N 3.26Å; G318-S321 VanDerWaalsContact O-N 3.1Å
319	P	77.1	Confident	85.9	Confident	28 Å²	28	34.7 Å²	34.7	18%	0.182	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.9	-171.3	-22.2	33.7	0	0	0	114.7	Y246 I247 L328	Y246-P319 HydrophobicContact CE1-CG 4.28Å; I247-P319 HydrophobicContact CG1-CG 4.02Å; P319-L328 HydrophobicContact CB-CD2 4.16Å; P319-L328 HydrophobicContact CG-CB 4.44Å; P319-L328 HydrophobicContact CG-CD2 4.28Å
320	S	73	Confident	85.9	Confident	106 Å²	106	34.2 Å²	34.2	74%	0.741	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.1	-178.6	-52.5	0	0	0	0	113.7	G318	G318-S320 PolarHBondContact O-N 3.02Å; G318-S320 VanDerWaalsContact O-N 3.12Å
321	S	76.9	Confident	86	Confident	43 Å²	43	34.1 Å²	34.1	30%	0.301	21%	0.208	S	C	.	.			trans	-79.5	142.6	177.1	-171.3	0	0	0	0	111.1	T317 G318 T323	T317-S321 VanDerWaalsContact CB-CB 3.5Å; T317-S321 WeakPolarHBondContact OG1-CB 3.44Å; G318-S321 WeakPolarHBondContact O-CB 3.47Å; G318-S321 PolarHBondContact O-N 3.26Å; G318-S321 VanDerWaalsContact O-N 3.1Å; S321-T323 PolarHBondContact OG-N 3.46Å; S321-T323 PolarHBondContact OG-O 3.12Å
322	H	69.4	Low	86.1	Confident	154 Å²	154	34.1 Å²	34.1	71%	0.713	21%	0.208	S	C	*	.	S	Bend	trans	-102	-0.3	173.6	-59.8	-64.7	0	0	0	112.8	S360	H322-S360 PolarHBondContact CE1-OG 2.85Å; H322-S360 VanDerWaalsContact CE1-OG 3.28Å
323	T	71.8	Confident	86.3	Confident	99 Å²	99	33.4 Å²	33.4	61%	0.607	20%	0.204	S	C	*	.	S	Bend	trans	-128.4	151.6	-178.1	52.5	0	0	0	0	109.9	T317 S321	T317-T323 VanDerWaalsContact CG2-O 3.22Å; T317-T323 WeakPolarHBondContact CG2-O 3.4Å; T317-T323 PolarHBondContact OG1-O 3Å; S321-T323 PolarHBondContact OG-N 3.46Å; S321-T323 PolarHBondContact OG-O 3.12Å
324	G	77.9	Confident	86.6	Confident	44 Å²	44	31.7 Å²	31.7	45%	0.454	20%	0.195	S	C	.	.	S	Bend	trans	83.7	-171.3	-178.5	0	0	0	0	0	114.9
325	I	85.9	Confident	86.9	Confident	15 Å²	15	31.4 Å²	31.4	8%	0.077	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.3	178.8	-60.4	-179.9	0	0	0	108.4	P148 F299 E314 H315 F316 T317 L327 V330 Y355	P148-I325 HydrophobicContact CB-CD1 4.47Å; F299-I325 HydrophobicContact CB-CD1 4.4Å; E314-I325 HydrophobicContact CB-CD1 4.31Å; E314-I325 HydrophobicContact CG-CD1 4.25Å; E314-I325 WeakPolarHBondContact OE2-CD1 3.48Å; H315-I325 PolarHBondContact O-N 3.36Å; H315-I325 VanDerWaalsContact O-N 3.14Å; F316-I325 CarbonylContact C-O 3.58Å; F316-I325 WeakPolarHBondContact CA-O 3.35Å; F316-I325 HydrophobicContact CD1-CB 4.27Å; F316-I325 HydrophobicContact CD1-CG2 3.99Å; F316-I325 HydrophobicContact CE1-CB 4.45Å; F316-I325 HydrophobicContact CE1-CG2 3.79Å; T317-I325 PolarHBondContact N-O 3.27Å; I325-L327 PolarHBondContact O-N 3.07Å; I325-L327 VanDerWaalsContact O-N 3.16Å; I325-V330 HydrophobicContact CG2-CG2 3.6Å; I325-Y355 HydrophobicContact CG2-CD2 4.23Å; I325-Y355 HydrophobicContact CG2-CE2 3.88Å
326	S	91.4	Very high	87.2	Confident	22 Å²	22	28.7 Å²	28.7	15%	0.154	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	112.9	180	178.9	0	0	0	0	109.9	L328 K329 V330 Y355	S326-L328 PolarHBondContact O-N 2.89Å; S326-K329 PolarHBondContact O-N 3.12Å; S326-K329 VanDerWaalsContact O-N 3.12Å; S326-K329 PolarHBondContact OG-N 3.1Å; S326-V330 PolarHBondContact O-N 2.85Å; S326-V330 VanDerWaalsContact O-N 3.12Å; S326-Y355 WeakPolarHBondContact CB-OH 3.4Å; S326-Y355 PolarHBondContact N-OH 2.84Å
327	L	93.4	Very high	87.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-35.7	176.8	179.2	61.8	0	0	0	111.3	L239 I247 F248 F280 F310 F316 T317 I325 K329 V330 A331	L239-L327 HydrophobicContact CD1-CD2 3.69Å; I247-L327 HydrophobicContact CB-CD2 4.34Å; I247-L327 HydrophobicContact CD1-CB 4.34Å; I247-L327 HydrophobicContact CD1-CD2 3.89Å; I247-L327 HydrophobicContact CG2-CB 4.13Å; I247-L327 HydrophobicContact CG2-CD2 4.01Å; I247-L327 HydrophobicContact CG2-CG 3.81Å; F248-L327 HydrophobicContact CE1-CD1 4.24Å; F248-L327 HydrophobicContact CE1-CG 4.42Å; F248-L327 HydrophobicContact CZ-CD1 4.32Å; F248-L327 HydrophobicContact CZ-CD2 4.26Å; F280-L327 HydrophobicContact CE1-CD1 3.95Å; F280-L327 HydrophobicContact CE1-CD2 4.45Å; F280-L327 HydrophobicContact CZ-CD1 3.78Å; F280-L327 HydrophobicContact CZ-CD2 3.75Å; F280-L327 HydrophobicContact CZ-CG 4.44Å; F310-L327 HydrophobicContact CD1-CD1 3.79Å; F310-L327 HydrophobicContact CE1-CD1 4.02Å; F310-L327 HydrophobicContact CG-CD1 4.31Å; F316-L327 HydrophobicContact CB-CB 4.2Å; F316-L327 HydrophobicContact CD1-CB 4.03Å; F316-L327 HydrophobicContact CD1-CD1 3.95Å; F316-L327 HydrophobicContact CD2-CD1 4.46Å; F316-L327 HydrophobicContact CE1-CD1 4.17Å; F316-L327 HydrophobicContact CG-CB 4.32Å; F316-L327 HydrophobicContact CG-CD1 4.11Å; T317-L327 PolarHBondContact O-N 3.28Å; I325-L327 PolarHBondContact O-N 3.07Å; I325-L327 VanDerWaalsContact O-N 3.16Å; L327-K329 PolarHBondContact O-N 3.16Å; L327-V330 PolarHBondContact O-N 3.28Å; L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 3.24Å
328	L	93.6	Very high	87.4	Confident	12 Å²	12	28.1 Å²	28.1	6%	0.063	18%	0.177	C	C	.	.	H	α-helix	trans	-60.1	-46.7	176.5	177.6	62.1	0	0	0	111.3	I247 L250 A251 M254 P319 S326 A331 V332 F362	I247-L328 HydrophobicContact CG2-CB 3.93Å; I247-L328 HydrophobicContact CG2-CD1 4.35Å; L250-L328 HydrophobicContact CB-CD1 3.98Å; L250-L328 HydrophobicContact CD2-CD1 3.96Å; L250-L328 HydrophobicContact CD2-CD2 3.6Å; L250-L328 HydrophobicContact CD2-CG 4.44Å; L250-L328 HydrophobicContact CG-CD1 3.8Å; L250-L328 HydrophobicContact CG-CD2 4.21Å; A251-L328 HydrophobicContact CB-CD1 3.98Å; M254-L328 HydrophobicContact SD-CD1 4.29Å; P319-L328 HydrophobicContact CB-CD2 4.16Å; P319-L328 HydrophobicContact CG-CB 4.44Å; P319-L328 HydrophobicContact CG-CD2 4.28Å; S326-L328 PolarHBondContact O-N 2.89Å; L328-A331 PolarHBondContact O-N 3.43Å; L328-V332 HydrophobicContact CD1-CG2 4.19Å; L328-V332 VanDerWaalsContact O-CG2 3.28Å; L328-V332 WeakPolarHBondContact O-CG2 3.31Å; L328-V332 PolarHBondContact O-N 3.38Å; L328-F362 HydrophobicContact CD2-CE1 4.15Å; L328-F362 HydrophobicContact CG-CE1 4.01Å; L328-F362 HydrophobicContact CG-CZ 4.35Å
329	K	92.4	Very high	87.7	Confident	33 Å²	33	27.1 Å²	27.1	14%	0.143	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-46.1	-178.2	-170.7	173.6	179.4	165.1	0	111.6	S326 L327 V332 H333 I350 Y355 L356 F362	S326-K329 PolarHBondContact O-N 3.12Å; S326-K329 VanDerWaalsContact O-N 3.12Å; S326-K329 PolarHBondContact OG-N 3.1Å; L327-K329 PolarHBondContact O-N 3.16Å; K329-V332 PolarHBondContact O-N 3.11Å; K329-H333 PolarHBondContact O-N 3.14Å; K329-H333 VanDerWaalsContact O-N 3.15Å; K329-I350 HydrophobicContact CD-CD1 4.46Å; K329-I350 HydrophobicContact CG-CD1 3.55Å; K329-Y355 HydrophobicContact CB-CE2 4.29Å; K329-Y355 HydrophobicContact CD-CD2 4.45Å; K329-Y355 HydrophobicContact CD-CE2 3.83Å; K329-Y355 HydrophobicContact CG-CE2 4.3Å; K329-L356 PolarHBondContact NZ-O 2.95Å; K329-F362 HydrophobicContact CB-CD1 4.32Å; K329-F362 HydrophobicContact CB-CE1 3.73Å; K329-F362 HydrophobicContact CB-CZ 4.12Å; K329-F362 HydrophobicContact CG-CD1 4.4Å; K329-F362 HydrophobicContact CG-CE1 4.07Å; K329-F362 HydrophobicContact CG-CZ 4.18Å
330	V	93.8	Very high	88.3	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-47.4	176.4	173.1	0	0	0	0	110.4	F299 A300 F310 F316 I325 S326 L327 V332 H333 E334 Y355	F299-V330 HydrophobicContact CD2-CB 4.11Å; F299-V330 HydrophobicContact CD2-CG1 3.31Å; F299-V330 HydrophobicContact CD2-CG2 3.64Å; F299-V330 HydrophobicContact CE2-CB 4.24Å; F299-V330 HydrophobicContact CE2-CG1 3.61Å; F299-V330 HydrophobicContact CE2-CG2 3.84Å; F299-V330 HydrophobicContact CG-CG1 4.34Å; F299-V330 HydrophobicContact CG-CG2 4.04Å; F299-V330 HydrophobicContact CZ-CG2 4.36Å; A300-V330 HydrophobicContact CB-CG1 3.65Å; F310-V330 HydrophobicContact CD1-CG1 3.85Å; F310-V330 HydrophobicContact CE1-CG1 3.87Å; F316-V330 HydrophobicContact CE1-CB 4.28Å; F316-V330 HydrophobicContact CE1-CG1 4.3Å; F316-V330 HydrophobicContact CE1-CG2 4.13Å; I325-V330 HydrophobicContact CG2-CG2 3.6Å; S326-V330 PolarHBondContact O-N 2.85Å; S326-V330 VanDerWaalsContact O-N 3.12Å; L327-V330 PolarHBondContact O-N 3.28Å; V330-V332 PolarHBondContact O-N 3.23Å; V330-H333 WeakPolarHBondContact O-CB 3.39Å; V330-H333 PolarHBondContact O-N 3.39Å; V330-H333 VanDerWaalsContact O-N 3.14Å; V330-E334 HydrophobicContact CG1-CG 4.17Å; V330-E334 WeakPolarHBondContact O-CG 3.46Å; V330-E334 PolarHBondContact O-N 3.35Å; V330-Y355 HydrophobicContact CG2-CD2 4.26Å; V330-Y355 HydrophobicContact CG2-CE2 4.23Å
331	A	95.6	Very high	89	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-42.3	178.6	0	0	0	0	0	113	F248 A251 F310 L327 L328 H333 E334 I335	F248-A331 HydrophobicContact CD1-CB 3.86Å; F248-A331 HydrophobicContact CE1-CB 3.91Å; A251-A331 HydrophobicContact CB-CB 3.73Å; F310-A331 HydrophobicContact CE1-CB 4.12Å; F310-A331 HydrophobicContact CZ-CB 4.11Å; L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 3.24Å; L328-A331 PolarHBondContact O-N 3.43Å; A331-H333 VanDerWaalsContact C-N 3.33Å; A331-H333 PolarHBondContact O-N 3.39Å; A331-E334 PolarHBondContact O-N 2.94Å; A331-I335 WeakPolarHBondContact O-CB 3.44Å; A331-I335 WeakPolarHBondContact O-CD1 3.48Å; A331-I335 WeakPolarHBondContact O-CG1 3.35Å; A331-I335 PolarHBondContact O-N 2.98Å
332	V	95.7	Very high	89.7	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-41.9	176.8	178.6	0	0	0	0	110.8	A251 M254 W255 L328 K329 V330 G336 I350 F362 M364	A251-V332 HydrophobicContact CB-CG2 3.75Å; M254-V332 HydrophobicContact CB-CG2 4.4Å; M254-V332 HydrophobicContact CE-CG2 4.36Å; M254-V332 HydrophobicContact SD-CG2 3.64Å; W255-V332 HydrophobicContact CZ2-CG1 4.08Å; W255-V332 WeakPolarHBondContact CZ2-O 3.41Å; W255-V332 PolarHBondContact NE1-O 3.25Å; L328-V332 HydrophobicContact CD1-CG2 4.19Å; L328-V332 VanDerWaalsContact O-CG2 3.28Å; L328-V332 WeakPolarHBondContact O-CG2 3.31Å; L328-V332 PolarHBondContact O-N 3.38Å; K329-V332 PolarHBondContact O-N 3.11Å; V330-V332 PolarHBondContact O-N 3.23Å; V332-G336 PolarHBondContact O-N 2.87Å; V332-G336 VanDerWaalsContact O-N 3.11Å; V332-I350 HydrophobicContact CB-CD1 4.45Å; V332-I350 HydrophobicContact CB-CG1 3.97Å; V332-I350 HydrophobicContact CG1-CD1 4.49Å; V332-I350 HydrophobicContact CG1-CG1 3.59Å; V332-I350 HydrophobicContact CG1-CG2 4.28Å; V332-F362 HydrophobicContact CB-CZ 4.19Å; V332-F362 HydrophobicContact CG2-CZ 3.97Å; V332-M364 HydrophobicContact CG1-CG 4.47Å; V332-M364 HydrophobicContact CG1-SD 4.31Å
333	H	95.1	Very high	90.7	Very high	7 Å²	7	15.6 Å²	15.6	3%	0.032	10%	0.101	C	C	.	.	H	α-helix	trans	-59.5	-54.7	175.6	-178.8	103.3	0	0	0	111.7	C150 K329 V330 A331 I335 G336 H337 H343 I350 M351 Q352	C150-H333 VanDerWaalsContact CB-NE2 3.3Å; C150-H333 WeakPolarHBondContact CB-NE2 3.43Å; K329-H333 PolarHBondContact O-N 3.14Å; K329-H333 VanDerWaalsContact O-N 3.15Å; V330-H333 WeakPolarHBondContact O-CB 3.39Å; V330-H333 PolarHBondContact O-N 3.39Å; V330-H333 VanDerWaalsContact O-N 3.14Å; A331-H333 VanDerWaalsContact C-N 3.33Å; A331-H333 PolarHBondContact O-N 3.39Å; H333-I335 VanDerWaalsContact C-N 3.32Å; H333-I335 PolarHBondContact O-N 3.36Å; H333-G336 WeakPolarHBondContact O-CA 3.42Å; H333-G336 PolarHBondContact O-N 3.13Å; H333-H337 AromaticContact CD2-CD2 3.73Å; H333-H337 AromaticContact CD2-NE2 3.7Å; H333-H337 AromaticContact NE2-CD2 3.67Å; H333-H337 AromaticContact NE2-NE2 3.12Å; H333-H337 PolarHBondContact NE2-NE2 2.71Å; H333-H337 VanDerWaalsContact NE2-NE2 3.12Å; H333-H337 PolarHBondContact O-N 3.45Å; H333-H343 AromaticContact CE1-CD2 3.59Å; H333-H343 AromaticContact CE1-NE2 3.72Å; H333-H343 AromaticContact NE2-CD2 3.58Å; H333-H343 AromaticContact NE2-NE2 3.33Å; H333-H343 PolarHBondContact NE2-NE2 2.93Å; H333-I350 PolarHBondContact ND1-O 3.18Å; H333-M351 WeakPolarHBondContact O-CE 2.96Å; H333-Q352 PolarHBondContact CE1-O 3.1Å; H333-Q352 PolarHBondContact ND1-O 3.27Å
334	E	95.1	Very high	91.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-37.4	-177.7	-63.2	-46.8	135.5	0	0	112.6	C150 A300 A302 I308 F310 V330 A331 G336 H337 V338	C150-E334 PolarHBondContact SG-OE1 3.13Å; A300-E334 HydrophobicContact CB-CG 3.63Å; A302-E334 HydrophobicContact CB-CB 4.16Å; A302-E334 WeakPolarHBondContact CB-OE2 3.36Å; A302-E334 PolarHBondContact N-OE2 2.88Å; I308-E334 HydrophobicContact CD1-CB 4.04Å; I308-E334 HydrophobicContact CG2-CB 3.46Å; I308-E334 VanDerWaalsContact CG2-CB 3.46Å; I308-E334 HydrophobicContact CG2-CG 3.86Å; F310-E334 HydrophobicContact CE1-CG 4.37Å; V330-E334 HydrophobicContact CG1-CG 4.17Å; V330-E334 WeakPolarHBondContact O-CG 3.46Å; V330-E334 PolarHBondContact O-N 3.35Å; A331-E334 PolarHBondContact O-N 2.94Å; E334-G336 VanDerWaalsContact C-N 3.26Å; E334-G336 PolarHBondContact O-N 3.37Å; E334-H337 WeakPolarHBondContact O-CB 3.23Å; E334-H337 PolarHBondContact O-N 3.38Å; E334-H337 VanDerWaalsContact O-N 3.16Å; E334-H337 IonicContact OE2-CD2 3.5Å; E334-V338 PolarHBondContact O-N 3.07Å
335	I	95.8	Very high	92.1	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-62.6	-38.1	174	-68.1	163	0	0	0	110.2	A251 F252 W255 I308 A331 H333 H337 V338 L339	A251-I335 HydrophobicContact CB-CD1 3.62Å; F252-I335 HydrophobicContact CD1-CD1 3.78Å; F252-I335 HydrophobicContact CD1-CG1 4.28Å; F252-I335 HydrophobicContact CD1-CG2 3.95Å; F252-I335 HydrophobicContact CD2-CD1 4.09Å; F252-I335 HydrophobicContact CE1-CD1 3.74Å; F252-I335 HydrophobicContact CE1-CG1 3.82Å; F252-I335 HydrophobicContact CE1-CG2 3.82Å; F252-I335 HydrophobicContact CE2-CD1 4.05Å; F252-I335 HydrophobicContact CG-CD1 3.95Å; F252-I335 HydrophobicContact CZ-CD1 3.88Å; F252-I335 HydrophobicContact CZ-CG1 4.02Å; W255-I335 HydrophobicContact CG-CG2 4.14Å; I308-I335 HydrophobicContact CD1-CB 4.42Å; I308-I335 HydrophobicContact CD1-CG1 3.68Å; A331-I335 WeakPolarHBondContact O-CB 3.44Å; A331-I335 WeakPolarHBondContact O-CD1 3.48Å; A331-I335 WeakPolarHBondContact O-CG1 3.35Å; A331-I335 PolarHBondContact O-N 2.98Å; H333-I335 VanDerWaalsContact C-N 3.32Å; H333-I335 PolarHBondContact O-N 3.36Å; I335-H337 VanDerWaalsContact C-N 3.26Å; I335-H337 PolarHBondContact O-N 3.02Å; I335-V338 PolarHBondContact O-N 2.9Å; I335-V338 VanDerWaalsContact O-N 3.1Å; I335-L339 HydrophobicContact CG2-CD1 3.98Å; I335-L339 HydrophobicContact CG2-CG 4.12Å; I335-L339 VanDerWaalsContact O-CG 3.27Å; I335-L339 WeakPolarHBondContact O-CG 3.46Å; I335-L339 PolarHBondContact O-N 2.86Å
336	G	94.3	Very high	92.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-55.8	-41.8	174.3	0	0	0	0	0	112.4	V332 H333 E334 L339 G340 L341	V332-G336 PolarHBondContact O-N 2.87Å; V332-G336 VanDerWaalsContact O-N 3.11Å; H333-G336 WeakPolarHBondContact O-CA 3.42Å; H333-G336 PolarHBondContact O-N 3.13Å; E334-G336 VanDerWaalsContact C-N 3.26Å; E334-G336 PolarHBondContact O-N 3.37Å; G336-L339 CarbonylContact O-C 3.57Å; G336-L339 PolarHBondContact O-N 3.45Å; G336-G340 PolarHBondContact O-N 2.94Å; G336-G340 VanDerWaalsContact O-N 3.14Å; G336-L341 WeakPolarHBondContact O-CB 3.39Å; G336-L341 PolarHBondContact O-N 2.79Å
337	H	91.3	Very high	91.7	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-41.8	173.6	-74.3	-44	0	0	0	113.6	A302 H333 E334 I335 L339 G340 L341 H343 M351	A302-H337 HydrophobicContact CB-CB 3.88Å; H333-H337 AromaticContact CD2-CD2 3.73Å; H333-H337 AromaticContact CD2-NE2 3.7Å; H333-H337 AromaticContact NE2-CD2 3.67Å; H333-H337 AromaticContact NE2-NE2 3.12Å; H333-H337 PolarHBondContact NE2-NE2 2.71Å; H333-H337 VanDerWaalsContact NE2-NE2 3.12Å; H333-H337 PolarHBondContact O-N 3.45Å; E334-H337 WeakPolarHBondContact O-CB 3.23Å; E334-H337 PolarHBondContact O-N 3.38Å; E334-H337 VanDerWaalsContact O-N 3.16Å; E334-H337 IonicContact OE2-CD2 3.5Å; I335-H337 VanDerWaalsContact C-N 3.26Å; I335-H337 PolarHBondContact O-N 3.02Å; H337-L339 PolarHBondContact O-N 3.36Å; H337-G340 PolarHBondContact O-N 2.91Å; H337-L341 PolarHBondContact ND1-O 3.45Å; H337-H343 AromaticContact CE1-CD2 3.32Å; H337-H343 PolarHBondContact CE1-CD2 3.33Å; H337-H343 AromaticContact CE1-CG 3.95Å; H337-H343 AromaticContact CE1-NE2 3.6Å; H337-H343 AromaticContact NE2-CD2 3.26Å; H337-H343 PolarHBondContact NE2-CD2 3.44Å; H337-H343 VanDerWaalsContact NE2-CD2 3.26Å; H337-H343 AromaticContact NE2-CE1 3.98Å; H337-H343 AromaticContact NE2-NE2 3.13Å; H337-H343 PolarHBondContact NE2-NE2 3.19Å; H337-H343 VanDerWaalsContact NE2-NE2 3.13Å; H337-M351 WeakPolarHBondContact ND1-CE 3.4Å
338	V	91.4	Very high	91.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-36.3	175.1	173.5	0	0	0	0	111.1	F221 I276 A302 I308 E334 I335 G340	F221-V338 HydrophobicContact CE2-CG1 3.95Å; F221-V338 VanDerWaalsContact CE2-O 3.28Å; F221-V338 WeakPolarHBondContact CE2-O 3.28Å; F221-V338 HydrophobicContact CZ-CG1 4.02Å; I276-V338 HydrophobicContact CD1-CG1 3.75Å; I276-V338 HydrophobicContact CG1-CG1 3.77Å; I276-V338 HydrophobicContact CG2-CG1 4.1Å; A302-V338 HydrophobicContact CB-CG2 3.92Å; I308-V338 HydrophobicContact CD1-CB 4.45Å; I308-V338 HydrophobicContact CD1-CG2 3.57Å; I308-V338 HydrophobicContact CG1-CG2 3.41Å; I308-V338 VanDerWaalsContact CG1-CG2 3.41Å; E334-V338 PolarHBondContact O-N 3.07Å; I335-V338 PolarHBondContact O-N 2.9Å; I335-V338 VanDerWaalsContact O-N 3.1Å; V338-G340 PolarHBondContact O-N 3.5Å
339	L	91.2	Very high	91.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.6	175.6	-64.6	-179.9	0	0	0	113.6	F221 L226 W255 L261 F263 I335 G336 H337 I372 L375 Y376	F221-L339 HydrophobicContact CD2-CD2 4.17Å; F221-L339 HydrophobicContact CE2-CD2 4.2Å; L226-L339 HydrophobicContact CD1-CD2 3.92Å; W255-L339 HydrophobicContact CB-CD1 3.91Å; W255-L339 HydrophobicContact CD2-CD1 3.99Å; W255-L339 HydrophobicContact CE3-CD1 4.4Å; W255-L339 HydrophobicContact CG-CD1 3.77Å; L261-L339 HydrophobicContact CD1-CD1 4.26Å; L261-L339 HydrophobicContact CD1-CD2 3.57Å; L261-L339 HydrophobicContact CD1-CG 4.46Å; F263-L339 HydrophobicContact CE1-CD2 3.98Å; F263-L339 HydrophobicContact CZ-CD1 3.97Å; F263-L339 HydrophobicContact CZ-CD2 3.9Å; I335-L339 HydrophobicContact CG2-CD1 3.98Å; I335-L339 HydrophobicContact CG2-CG 4.12Å; I335-L339 VanDerWaalsContact O-CG 3.27Å; I335-L339 WeakPolarHBondContact O-CG 3.46Å; I335-L339 PolarHBondContact O-N 2.86Å; G336-L339 CarbonylContact O-C 3.57Å; G336-L339 PolarHBondContact O-N 3.45Å; H337-L339 PolarHBondContact O-N 3.36Å; L339-I372 HydrophobicContact CB-CD1 3.77Å; L339-I372 HydrophobicContact CD1-CD1 3.87Å; L339-I372 HydrophobicContact CG-CD1 4.44Å; L339-L375 WeakPolarHBondContact O-CD2 3.26Å; L339-Y376 HydrophobicContact CB-CE2 4.22Å; L339-Y376 WeakPolarHBondContact O-CE2 3.5Å; L339-Y376 PolarHBondContact O-OH 3.28Å
340	G	88.6	Confident	91.3	Very high	8 Å²	8	23.2 Å²	23.2	8%	0.082	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	12.3	175.5	0	0	0	0	0	115.6	G336 H337 V338	G336-G340 PolarHBondContact O-N 2.94Å; G336-G340 VanDerWaalsContact O-N 3.14Å; H337-G340 PolarHBondContact O-N 2.91Å; V338-G340 PolarHBondContact O-N 3.5Å
341	L	89.5	Confident	91.3	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.042	13%	0.132	C	C	.	.			trans	-76.7	134.7	171.8	-60.2	-179.6	0	0	0	111.1	W255 G336 H337 M351 A371 I372 L375	W255-L341 HydrophobicContact CH2-CD1 3.25Å; W255-L341 HydrophobicContact CZ2-CD1 4.08Å; W255-L341 HydrophobicContact CZ3-CD1 3.56Å; G336-L341 WeakPolarHBondContact O-CB 3.39Å; G336-L341 PolarHBondContact O-N 2.79Å; H337-L341 PolarHBondContact ND1-O 3.45Å; L341-M351 HydrophobicContact CB-CE 3.93Å; L341-M351 HydrophobicContact CB-CG 4.22Å; L341-M351 HydrophobicContact CB-SD 4.23Å; L341-M351 HydrophobicContact CD1-CG 4.03Å; L341-M351 HydrophobicContact CD1-SD 4.13Å; L341-A371 HydrophobicContact CD2-CB 3.7Å; L341-I372 HydrophobicContact CD1-CB 4.25Å; L341-I372 HydrophobicContact CD1-CD1 4.25Å; L341-I372 HydrophobicContact CD2-CB 4.34Å; L341-I372 HydrophobicContact CD2-CD1 4.29Å; L341-I372 HydrophobicContact CG-CD1 4.16Å; L341-L375 HydrophobicContact CD2-CD2 4.39Å
342	P	89.9	Confident	91.1	Very high	54 Å²	54	24.5 Å²	24.5	35%	0.351	14%	0.139	S	C	.	.			trans	-78.5	174	168.9	35.2	-35.8	0	0	0	110.7	Y218	Y218-P342 HydrophobicContact CE1-CB 4.36Å; Y218-P342 HydrophobicContact CE1-CG 4.05Å
343	H	91.3	Very high	91	Very high	20 Å²	20	24.7 Å²	24.7	9%	0.093	14%	0.14	C	C	.	.			trans	-60.4	140.5	165.8	-74.5	148.9	0	0	0	111.7	V152 D154 H333 H337 M351 P353	V152-H343 PolarHBondContact O-CE1 3.27Å; D154-H343 IonicContact OD1-CE1 2.73Å; D154-H343 PolarHBondContact OD1-CE1 3.01Å; D154-H343 IonicContact OD1-CG 3.13Å; D154-H343 IonicContact OD1-ND1 3.87Å; D154-H343 PolarHBondContact OD1-ND1 2.92Å; H333-H343 AromaticContact CE1-CD2 3.59Å; H333-H343 AromaticContact CE1-NE2 3.72Å; H333-H343 AromaticContact NE2-CD2 3.58Å; H333-H343 AromaticContact NE2-NE2 3.33Å; H333-H343 PolarHBondContact NE2-NE2 2.93Å; H337-H343 AromaticContact CE1-CD2 3.32Å; H337-H343 PolarHBondContact CE1-CD2 3.33Å; H337-H343 AromaticContact CE1-CG 3.95Å; H337-H343 AromaticContact CE1-NE2 3.6Å; H337-H343 AromaticContact NE2-CD2 3.26Å; H337-H343 PolarHBondContact NE2-CD2 3.44Å; H337-H343 VanDerWaalsContact NE2-CD2 3.26Å; H337-H343 AromaticContact NE2-CE1 3.98Å; H337-H343 AromaticContact NE2-NE2 3.13Å; H337-H343 PolarHBondContact NE2-NE2 3.19Å; H337-H343 VanDerWaalsContact NE2-NE2 3.13Å; H343-M351 CarbonylContact C-O 3.6Å; H343-M351 VanDerWaalsContact CA-O 3.28Å; H343-M351 WeakPolarHBondContact CA-O 3.39Å; H343-M351 PolarHBondContact CD2-O 3.5Å; H343-P353 HydrophobicContact CB-CG 3.84Å
344	I	91.1	Very high	90.7	Very high	30 Å²	30	25.5 Å²	25.5	15%	0.154	15%	0.146	C	C	.	.			trans	-120.8	109	176.8	-60.7	176.5	0	0	0	108.3	R346 S349 M351 Q352 M367 A371	I344-R346 HydrophobicContact CG2-CB 4.31Å; I344-R346 PolarHBondContact O-N 3.5Å; I344-S349 WeakPolarHBondContact CB-OG 3.44Å; I344-M351 HydrophobicContact CB-CB 4.04Å; I344-M351 HydrophobicContact CD1-CB 4.11Å; I344-M351 HydrophobicContact CD1-CG 4.32Å; I344-M351 HydrophobicContact CG1-CB 3.95Å; I344-M351 PolarHBondContact N-O 2.92Å; I344-Q352 WeakPolarHBondContact O-CA 3.33Å; I344-M367 HydrophobicContact CG2-CE 3.44Å; I344-M367 VanDerWaalsContact CG2-CE 3.44Å; I344-A371 HydrophobicContact CD1-CB 4.3Å
345	Y	88.1	Confident	90.3	Very high	81 Å²	81	26.9 Å²	26.9	32%	0.318	15%	0.152	S	C	.	.			trans	-78.4	69.4	-178.5	-66.3	-80.8	0	0	0	112.7	F58 V128 D154 P353	F58-Y345 WeakPolarHBondContact CZ-OH 3.28Å; V128-Y345 HydrophobicContact CB-CD1 3.51Å; V128-Y345 HydrophobicContact CB-CD2 3.95Å; V128-Y345 HydrophobicContact CB-CE1 3.66Å; V128-Y345 HydrophobicContact CB-CE2 4.1Å; V128-Y345 HydrophobicContact CB-CG 3.62Å; V128-Y345 HydrophobicContact CG1-CD2 4.13Å; V128-Y345 HydrophobicContact CG1-CE2 4.21Å; V128-Y345 HydrophobicContact CG1-CG 4.26Å; V128-Y345 HydrophobicContact CG2-CD1 3.77Å; V128-Y345 HydrophobicContact CG2-CE1 3.4Å; V128-Y345 VanDerWaalsContact CG2-CE1 3.4Å; V128-Y345 HydrophobicContact CG2-CE2 4.31Å; V128-Y345 HydrophobicContact CG2-CG 4.33Å; V128-Y345 WeakPolarHBondContact O-CD1 3.18Å; D154-Y345 WeakPolarHBondContact CB-OH 3.46Å; D154-Y345 PolarHBondContact OD1-OH 2.84Å; D154-Y345 PolarHBondContact OD2-OH 2.87Å; Y345-P353 HydrophobicContact CD1-CG 4Å; Y345-P353 HydrophobicContact CE1-CG 3.45Å; Y345-P353 VanDerWaalsContact CE1-CG 3.45Å
346	R	86	Confident	89.7	Confident	104 Å²	104	30 Å²	30	39%	0.392	17%	0.168	S	C	.	.	S	Bend	trans	-139.1	129	174.2	-173.4	179.8	179.4	-160.6	-6.8	110.7	I344 G348 S349 Q352 D365 M367	I344-R346 HydrophobicContact CG2-CB 4.31Å; I344-R346 PolarHBondContact O-N 3.5Å; R346-G348 PolarHBondContact O-N 2.71Å; R346-G348 VanDerWaalsContact O-N 3.13Å; R346-S349 WeakPolarHBondContact O-CB 3.16Å; R346-S349 PolarHBondContact O-N 3.21Å; R346-Q352 PolarHBondContact O-OE1 3.35Å; R346-D365 IonicContact CZ-OD1 3.7Å; R346-D365 IonicContact NH1-OD1 3.36Å; R346-D365 PolarHBondContact NH1-OD1 3.16Å; R346-D365 VanDerWaalsContact NH1-OD1 3.15Å; R346-M367 HydrophobicContact CB-CE 3.71Å; R346-M367 HydrophobicContact CG-CE 4.06Å; R346-M367 VanDerWaalsContact NH1-CG 3.29Å; R346-M367 PolarHBondContact NH1-SD 2.69Å
347	P	83.2	Confident	88.8	Confident	104 Å²	104	35.1 Å²	35.1	68%	0.675	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	121.2	169.4	-26.4	35.1	0	0	0	111.1
348	G	84.8	Confident	87.5	Confident	52 Å²	52	40.9 Å²	40.9	54%	0.536	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	-15.2	-179.1	0	0	0	0	0	115.1	R346	R346-G348 PolarHBondContact O-N 2.71Å; R346-G348 VanDerWaalsContact O-N 3.13Å
349	S	92.1	Very high	86	Confident	7 Å²	7	48.1 Å²	48.1	5%	0.049	26%	0.262	C	S	.	.			trans	-67.9	137.7	170.2	168.8	0	0	0	0	110.3	I344 R346 M351 Q352 D368	I344-S349 WeakPolarHBondContact CB-OG 3.44Å; R346-S349 WeakPolarHBondContact O-CB 3.16Å; R346-S349 PolarHBondContact O-N 3.21Å; S349-M351 PolarHBondContact O-N 3.44Å; S349-M351 PolarHBondContact OG-N 3.31Å; S349-Q352 WeakPolarHBondContact O-CB 3.27Å; S349-Q352 PolarHBondContact O-N 2.93Å; S349-D368 WeakPolarHBondContact CA-OD2 3.35Å; S349-D368 WeakPolarHBondContact CB-OD1 3.19Å; S349-D368 PolarHBondContact OG-OD1 3.02Å
350	I	93.3	Very high	84.5	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.031	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-27.3	172.2	-163.2	51.5	0	0	0	111.5	W255 K329 V332 H333 Q352 F362 M364 D368	W255-I350 HydrophobicContact CH2-CG2 4.04Å; W255-I350 HydrophobicContact CZ2-CG2 3.99Å; K329-I350 HydrophobicContact CD-CD1 4.46Å; K329-I350 HydrophobicContact CG-CD1 3.55Å; V332-I350 HydrophobicContact CB-CD1 4.45Å; V332-I350 HydrophobicContact CB-CG1 3.97Å; V332-I350 HydrophobicContact CG1-CD1 4.49Å; V332-I350 HydrophobicContact CG1-CG1 3.59Å; V332-I350 HydrophobicContact CG1-CG2 4.28Å; H333-I350 PolarHBondContact ND1-O 3.18Å; I350-Q352 PolarHBondContact O-N 3.24Å; I350-F362 HydrophobicContact CD1-CD2 4.03Å; I350-F362 HydrophobicContact CD1-CE2 3.42Å; I350-F362 VanDerWaalsContact CD1-CE2 3.42Å; I350-F362 HydrophobicContact CD1-CZ 3.91Å; I350-F362 HydrophobicContact CG1-CE2 3.96Å; I350-M364 HydrophobicContact CG2-CG 4.45Å; I350-D368 HydrophobicContact CG2-CB 4.1Å; I350-D368 PolarHBondContact N-OD2 3.31Å
351	M	93.8	Very high	83.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	12.5	177.2	-59.6	-51.7	-55.7	0	0	113.1	W255 H333 H337 L341 H343 I344 S349	W255-M351 HydrophobicContact CH2-SD 4.23Å; W255-M351 HydrophobicContact CZ2-SD 4.02Å; H333-M351 WeakPolarHBondContact O-CE 2.96Å; H337-M351 WeakPolarHBondContact ND1-CE 3.4Å; L341-M351 HydrophobicContact CB-CE 3.93Å; L341-M351 HydrophobicContact CB-CG 4.22Å; L341-M351 HydrophobicContact CB-SD 4.23Å; L341-M351 HydrophobicContact CD1-CG 4.03Å; L341-M351 HydrophobicContact CD1-SD 4.13Å; H343-M351 CarbonylContact C-O 3.6Å; H343-M351 VanDerWaalsContact CA-O 3.28Å; H343-M351 WeakPolarHBondContact CA-O 3.39Å; H343-M351 PolarHBondContact CD2-O 3.5Å; I344-M351 HydrophobicContact CB-CB 4.04Å; I344-M351 HydrophobicContact CD1-CB 4.11Å; I344-M351 HydrophobicContact CD1-CG 4.32Å; I344-M351 HydrophobicContact CG1-CB 3.95Å; I344-M351 PolarHBondContact N-O 2.92Å; S349-M351 PolarHBondContact O-N 3.44Å; S349-M351 PolarHBondContact OG-N 3.31Å
352	Q	92.5	Very high	83.2	Confident	30 Å²	30	55.5 Å²	55.5	14%	0.14	31%	0.309	C	S	.	.			trans	-70.1	130.1	172.9	-170	-170.2	-83.1	0	0	110.3	H333 I344 R346 S349 I350 S354	H333-Q352 PolarHBondContact CE1-O 3.1Å; H333-Q352 PolarHBondContact ND1-O 3.27Å; I344-Q352 WeakPolarHBondContact O-CA 3.33Å; R346-Q352 PolarHBondContact O-OE1 3.35Å; S349-Q352 WeakPolarHBondContact O-CB 3.27Å; S349-Q352 PolarHBondContact O-N 2.93Å; I350-Q352 PolarHBondContact O-N 3.24Å; Q352-S354 PolarHBondContact NE2-O 3.34Å; Q352-S354 PolarHBondContact O-N 3.48Å
353	P	91.6	Very high	82.9	Confident	3 Å²	3	58 Å²	58	2%	0.019	32%	0.316	C	S	.	.	S	Bend	trans	-62.5	-44.8	-173.7	-8.1	8	0	0	0	114	R149 C150 H343 Y345	R149-P353 CarbonylContact C-O 3.59Å; R149-P353 WeakPolarHBondContact CA-O 3.4Å; R149-P353 WeakPolarHBondContact CB-O 3.24Å; C150-P353 PolarHBondContact N-O 3.44Å; H343-P353 HydrophobicContact CB-CG 3.84Å; Y345-P353 HydrophobicContact CD1-CG 4Å; Y345-P353 HydrophobicContact CE1-CG 3.45Å; Y345-P353 VanDerWaalsContact CE1-CG 3.45Å
354	S	90.3	Very high	82.8	Confident	24 Å²	24	57.2 Å²	57.2	17%	0.168	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-81.6	134.7	-179.2	-54.2	0	0	0	0	111.4	Q352 L356	Q352-S354 PolarHBondContact NE2-O 3.34Å; Q352-S354 PolarHBondContact O-N 3.48Å; S354-L356 PolarHBondContact O-N 2.93Å
355	Y	87.1	Confident	82.8	Confident	30 Å²	30	57.6 Å²	57.6	12%	0.118	32%	0.315	C	S	.	.			trans	-66.2	119.7	176.3	-170.3	-98.6	0	0	0	110.7	P148 F299 I325 S326 K329 V330 P357	P148-Y355 WeakPolarHBondContact O-CB 3.47Å; P148-Y355 PolarHBondContact O-N 3.05Å; F299-Y355 HydrophobicContact CE1-CD2 4.41Å; I325-Y355 HydrophobicContact CG2-CD2 4.23Å; I325-Y355 HydrophobicContact CG2-CE2 3.88Å; S326-Y355 WeakPolarHBondContact CB-OH 3.4Å; S326-Y355 PolarHBondContact N-OH 2.84Å; K329-Y355 HydrophobicContact CB-CE2 4.29Å; K329-Y355 HydrophobicContact CD-CD2 4.45Å; K329-Y355 HydrophobicContact CD-CE2 3.83Å; K329-Y355 HydrophobicContact CG-CE2 4.3Å; V330-Y355 HydrophobicContact CG2-CD2 4.26Å; V330-Y355 HydrophobicContact CG2-CE2 4.23Å; Y355-P357 HydrophobicContact CD1-CG 4.46Å; Y355-P357 HydrophobicContact CE1-CG 4.3Å
356	L	82.4	Confident	82.8	Confident	65 Å²	65	59.1 Å²	59.1	34%	0.34	32%	0.32	S	S	.	.			trans	-105.5	120	168.4	-67.1	175.7	0	0	0	109	K329 S354 H358	K329-L356 PolarHBondContact NZ-O 2.95Å; S354-L356 PolarHBondContact O-N 2.93Å; L356-H358 PolarHBondContact O-N 2.62Å
357	P	74.8	Confident	82.9	Confident	108 Å²	108	57.2 Å²	57.2	70%	0.701	32%	0.316	S	S	*	.			trans	-55.5	134.1	169.2	-22.2	32.5	0	0	0	110	Y355	Y355-P357 HydrophobicContact CD1-CG 4.46Å; Y355-P357 HydrophobicContact CE1-CG 4.3Å
358	H	64.1	Low	83.4	Confident	125 Å²	125	52.3 Å²	52.3	58%	0.579	28%	0.284	S	S	*	.			trans	-132.7	168.2	176.2	-159.9	67.6	0	0	0	109.7	L356	L356-H358 PolarHBondContact O-N 2.62Å
359	E	60.8	Low	83.7	Confident	152 Å²	152	50 Å²	50	71%	0.71	26%	0.26	S	S	*	.			trans	-58.4	155.3	170.4	-62	-167.6	177.1	0	0	110.6	S361	E359-S361 CarbonylContact O-C 3.59Å; E359-S361 PolarHBondContact O-N 3.08Å
360	S	58.8	Low	83.5	Confident	51 Å²	51	51.2 Å²	51.2	36%	0.357	26%	0.264	S	S	.	.	S	Bend	trans	-55.2	-18	-171.6	50.5	0	0	0	0	114.8	H322	H322-S360 PolarHBondContact CE1-OG 2.85Å; H322-S360 VanDerWaalsContact CE1-OG 3.28Å
361	S	68.9	Low	83.4	Confident	90 Å²	90	52.4 Å²	52.4	63%	0.629	28%	0.275	S	S	*	.			trans	-114.7	116.5	170	55.8	0	0	0	0	109.8	E359	E359-S361 CarbonylContact O-C 3.59Å; E359-S361 PolarHBondContact O-N 3.08Å
362	F	81.5	Confident	83.3	Confident	30 Å²	30	52.4 Å²	52.4	13%	0.132	28%	0.275	C	S	.	.			trans	-113.1	157.2	169.3	76.1	-87.5	0	0	0	110.8	M254 L328 K329 V332 I350	M254-F362 HydrophobicContact CE-CD2 4.2Å; M254-F362 HydrophobicContact CE-CE2 3.57Å; M254-F362 HydrophobicContact CE-CZ 3.84Å; M254-F362 HydrophobicContact SD-CZ 4.23Å; L328-F362 HydrophobicContact CD2-CE1 4.15Å; L328-F362 HydrophobicContact CG-CE1 4.01Å; L328-F362 HydrophobicContact CG-CZ 4.35Å; K329-F362 HydrophobicContact CB-CD1 4.32Å; K329-F362 HydrophobicContact CB-CE1 3.73Å; K329-F362 HydrophobicContact CB-CZ 4.12Å; K329-F362 HydrophobicContact CG-CD1 4.4Å; K329-F362 HydrophobicContact CG-CE1 4.07Å; K329-F362 HydrophobicContact CG-CZ 4.18Å; V332-F362 HydrophobicContact CB-CZ 4.19Å; V332-F362 HydrophobicContact CG2-CZ 3.97Å; I350-F362 HydrophobicContact CD1-CD2 4.03Å; I350-F362 HydrophobicContact CD1-CE2 3.42Å; I350-F362 VanDerWaalsContact CD1-CE2 3.42Å; I350-F362 HydrophobicContact CD1-CZ 3.91Å; I350-F362 HydrophobicContact CG1-CE2 3.96Å
363	E	84.6	Confident	83.1	Confident	107 Å²	107	51.7 Å²	51.7	50%	0.5	27%	0.271	S	S	.	.			trans	-121.8	145.9	179.4	-65.3	178	164.1	0	0	108.5	Y427	E363-Y427 HydrophobicContact CB-CD1 4.2Å; E363-Y427 HydrophobicContact CB-CD2 4.18Å; E363-Y427 HydrophobicContact CB-CE1 3.77Å; E363-Y427 HydrophobicContact CB-CE2 3.76Å; E363-Y427 HydrophobicContact CB-CG 4.36Å; E363-Y427 HydrophobicContact CG-CD1 4.26Å; E363-Y427 HydrophobicContact CG-CD2 3.56Å; E363-Y427 HydrophobicContact CG-CE1 4.22Å; E363-Y427 HydrophobicContact CG-CE2 3.52Å; E363-Y427 HydrophobicContact CG-CG 3.92Å; E363-Y427 WeakPolarHBondContact OE1-CD2 3.36Å; E363-Y427 WeakPolarHBondContact OE1-CE2 3.4Å; E363-Y427 WeakPolarHBondContact OE2-CE2 3.39Å; E363-Y427 PolarHBondContact OE2-OH 2.92Å
364	M	89.7	Confident	82.9	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.303	C	S	.	.			trans	-70.5	133.3	174.7	-66	-177.1	-67.1	0	0	110.5	M254 W255 V258 V332 I350 R369 Y427	M254-M364 HydrophobicContact CB-CE 4.07Å; M254-M364 HydrophobicContact CB-SD 4.28Å; M254-M364 HydrophobicContact CE-CG 4.1Å; M254-M364 WeakPolarHBondContact O-CE 3.46Å; W255-M364 HydrophobicContact CD2-SD 4.18Å; W255-M364 HydrophobicContact CE3-SD 4.02Å; W255-M364 HydrophobicContact CH2-SD 4.29Å; W255-M364 HydrophobicContact CZ2-SD 4.47Å; W255-M364 HydrophobicContact CZ3-SD 4.07Å; V258-M364 HydrophobicContact CB-CE 4.21Å; V258-M364 HydrophobicContact CG1-CE 3.6Å; V258-M364 HydrophobicContact CG2-CE 3.53Å; V258-M364 HydrophobicContact CG2-SD 4.35Å; V332-M364 HydrophobicContact CG1-CG 4.47Å; V332-M364 HydrophobicContact CG1-SD 4.31Å; I350-M364 HydrophobicContact CG2-CG 4.45Å; M364-R369 HydrophobicContact CB-CG 4.27Å; M364-Y427 PolarHBondContact O-OH 3.48Å
365	D	90.1	Very high	82.7	Confident	39 Å²	39	58 Å²	58	21%	0.209	30%	0.298	C	S	.	.			trans	-65.7	156.3	-179.2	-175.4	-106.3	0	0	0	111	R346 M367 D368 R369	R346-D365 IonicContact CZ-OD1 3.7Å; R346-D365 IonicContact NH1-OD1 3.36Å; R346-D365 PolarHBondContact NH1-OD1 3.16Å; R346-D365 VanDerWaalsContact NH1-OD1 3.15Å; D365-M367 PolarHBondContact O-N 3.26Å; D365-M367 WeakPolarHBondContact OD1-CB 3.38Å; D365-M367 PolarHBondContact OD1-N 2.77Å; D365-D368 WeakPolarHBondContact CB-OD2 3.19Å; D365-D368 PolarHBondContact N-OD2 3.41Å; D365-D368 VanDerWaalsContact N-OD2 3.12Å; D365-D368 PolarHBondContact O-N 3.28Å; D365-D368 VanDerWaalsContact O-N 3.14Å; D365-R369 WeakPolarHBondContact O-CG 3.35Å; D365-R369 PolarHBondContact O-N 2.7Å; D365-R369 VanDerWaalsContact O-N 3.16Å
366	W	87.5	Confident	82.7	Confident	113 Å²	113	57.5 Å²	57.5	43%	0.428	30%	0.296	S	S	.	.	H	α-helix	trans	-51.8	-39.2	174	172.4	-97.1	0	0	0	113.1	K370 F608	W366-K370 HydrophobicContact CD2-CG 4.13Å; W366-K370 HydrophobicContact CH2-CD 4.34Å; W366-K370 HydrophobicContact CZ2-CD 3.99Å; W366-K370 HydrophobicContact CZ2-CG 3.95Å; W366-K370 WeakPolarHBondContact O-CG 3.42Å; W366-K370 PolarHBondContact O-N 3.35Å; W366-F608 HydrophobicContact CH2-CD2 4.41Å
367	M	90.1	Very high	82	Confident	64 Å²	64	58.9 Å²	58.9	32%	0.315	32%	0.316	S	S	.	.	H	α-helix	trans	-70	-37.9	-179.9	-65.8	-169.9	-27.2	0	0	112.5	I344 R346 D365 R369 K370 A371	I344-M367 HydrophobicContact CG2-CE 3.44Å; I344-M367 VanDerWaalsContact CG2-CE 3.44Å; R346-M367 HydrophobicContact CB-CE 3.71Å; R346-M367 HydrophobicContact CG-CE 4.06Å; R346-M367 VanDerWaalsContact NH1-CG 3.29Å; R346-M367 PolarHBondContact NH1-SD 2.69Å; D365-M367 PolarHBondContact O-N 3.26Å; D365-M367 WeakPolarHBondContact OD1-CB 3.38Å; D365-M367 PolarHBondContact OD1-N 2.77Å; M367-R369 VanDerWaalsContact C-N 3.33Å; M367-R369 PolarHBondContact O-N 3.37Å; M367-K370 PolarHBondContact O-N 3.35Å; M367-A371 VanDerWaalsContact O-CB 3.31Å; M367-A371 WeakPolarHBondContact O-CB 3.4Å; M367-A371 PolarHBondContact O-N 2.74Å
368	D	93.1	Very high	81.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-46.2	177.5	-54.3	-40	0	0	0	110.1	W255 S349 I350 D365 K370 A371 I372	W255-D368 HydrophobicContact CH2-CB 4.44Å; S349-D368 WeakPolarHBondContact CA-OD2 3.35Å; S349-D368 WeakPolarHBondContact CB-OD1 3.19Å; S349-D368 PolarHBondContact OG-OD1 3.02Å; I350-D368 HydrophobicContact CG2-CB 4.1Å; I350-D368 PolarHBondContact N-OD2 3.31Å; D365-D368 WeakPolarHBondContact CB-OD2 3.19Å; D365-D368 PolarHBondContact N-OD2 3.41Å; D365-D368 VanDerWaalsContact N-OD2 3.12Å; D365-D368 PolarHBondContact O-N 3.28Å; D365-D368 VanDerWaalsContact O-N 3.14Å; D368-K370 PolarHBondContact O-N 3.28Å; D368-A371 PolarHBondContact O-N 3.02Å; D368-I372 PolarHBondContact O-N 3.29Å
369	R	91	Very high	82	Confident	4 Å²	4	50 Å²	50	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-43.4	176.5	-63.8	169.1	68.6	147.8	6.8	112	V258 M364 D365 M367 I372 Q373 D609	V258-R369 HydrophobicContact CB-CB 4.47Å; V258-R369 HydrophobicContact CB-CG 4.13Å; V258-R369 HydrophobicContact CG1-CG 3.93Å; V258-R369 HydrophobicContact CG2-CG 4.38Å; M364-R369 HydrophobicContact CB-CG 4.27Å; D365-R369 WeakPolarHBondContact O-CG 3.35Å; D365-R369 PolarHBondContact O-N 2.7Å; D365-R369 VanDerWaalsContact O-N 3.16Å; M367-R369 VanDerWaalsContact C-N 3.33Å; M367-R369 PolarHBondContact O-N 3.37Å; R369-I372 VanDerWaalsContact O-CG2 3.23Å; R369-I372 WeakPolarHBondContact O-CG2 3.49Å; R369-Q373 WeakPolarHBondContact O-CB 3.09Å; R369-Q373 VanDerWaalsContact O-CD 3.31Å; R369-Q373 WeakPolarHBondContact O-CG 3.01Å; R369-Q373 PolarHBondContact O-N 2.82Å; R369-D609 IonicContact CZ-OD1 2.65Å; R369-D609 IonicContact CZ-OD2 3.26Å; R369-D609 IonicContact NE-OD1 3.7Å; R369-D609 PolarHBondContact NE-OD1 2.74Å; R369-D609 IonicContact NE-OD2 4Å; R369-D609 PolarHBondContact NE-OD2 3.18Å; R369-D609 VanDerWaalsContact NH2-CB 3.31Å; R369-D609 IonicContact NH2-OD1 3.47Å; R369-D609 PolarHBondContact NH2-OD1 3.19Å; R369-D609 IonicContact NH2-OD2 3.64Å; R369-D609 PolarHBondContact NH2-OD2 3.03Å
370	K	88.2	Confident	83.3	Confident	33 Å²	33	43.4 Å²	43.4	14%	0.143	25%	0.249	C	C	.	.	H	α-helix	trans	-70.8	-37.3	178.7	-69.8	-66.2	161	-150.1	0	111.8	W366 M367 D368 Q373 H374	W366-K370 HydrophobicContact CD2-CG 4.13Å; W366-K370 HydrophobicContact CH2-CD 4.34Å; W366-K370 HydrophobicContact CZ2-CD 3.99Å; W366-K370 HydrophobicContact CZ2-CG 3.95Å; W366-K370 WeakPolarHBondContact O-CG 3.42Å; W366-K370 PolarHBondContact O-N 3.35Å; M367-K370 PolarHBondContact O-N 3.35Å; D368-K370 PolarHBondContact O-N 3.28Å; K370-Q373 PolarHBondContact O-N 2.01Å; K370-H374 PolarHBondContact O-N 3.43Å; K370-H374 PolarHBondContact O-ND1 3.3Å
371	A	90.4	Very high	84.8	Confident	31 Å²	31	46.9 Å²	46.9	26%	0.256	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-49	177.7	0	0	0	0	0	111.1	L341 I344 M367 D368 Q373 H374 L375	L341-A371 HydrophobicContact CD2-CB 3.7Å; I344-A371 HydrophobicContact CD1-CB 4.3Å; M367-A371 VanDerWaalsContact O-CB 3.31Å; M367-A371 WeakPolarHBondContact O-CB 3.4Å; M367-A371 PolarHBondContact O-N 2.74Å; D368-A371 PolarHBondContact O-N 3.02Å; A371-Q373 VanDerWaalsContact C-N 3.33Å; A371-Q373 PolarHBondContact O-N 3.45Å; A371-H374 PolarHBondContact O-N 2.81Å; A371-L375 PolarHBondContact O-N 2.98Å; A371-L375 VanDerWaalsContact O-N 3.14Å
372	I	91.1	Very high	85.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-36.5	179.5	-166.3	68.9	0	0	0	112.5	W255 V258 L339 L341 D368 R369 L375 Y376	W255-I372 HydrophobicContact CE3-CB 4.19Å; W255-I372 HydrophobicContact CE3-CD1 4.47Å; W255-I372 HydrophobicContact CE3-CG1 4.06Å; W255-I372 HydrophobicContact CE3-CG2 4.13Å; W255-I372 HydrophobicContact CZ3-CB 3.92Å; W255-I372 HydrophobicContact CZ3-CG1 4.25Å; W255-I372 HydrophobicContact CZ3-CG2 3.95Å; V258-I372 HydrophobicContact CG2-CG2 3.94Å; L339-I372 HydrophobicContact CB-CD1 3.77Å; L339-I372 HydrophobicContact CD1-CD1 3.87Å; L339-I372 HydrophobicContact CG-CD1 4.44Å; L341-I372 HydrophobicContact CD1-CB 4.25Å; L341-I372 HydrophobicContact CD1-CD1 4.25Å; L341-I372 HydrophobicContact CD2-CB 4.34Å; L341-I372 HydrophobicContact CD2-CD1 4.29Å; L341-I372 HydrophobicContact CG-CD1 4.16Å; D368-I372 PolarHBondContact O-N 3.29Å; R369-I372 VanDerWaalsContact O-CG2 3.23Å; R369-I372 WeakPolarHBondContact O-CG2 3.49Å; I372-L375 PolarHBondContact O-N 3.45Å; I372-Y376 HydrophobicContact CD1-CD2 3.61Å; I372-Y376 HydrophobicContact CD1-CE2 3.47Å; I372-Y376 VanDerWaalsContact CD1-CE2 3.47Å; I372-Y376 HydrophobicContact CG1-CD2 4.03Å; I372-Y376 HydrophobicContact CG1-CE2 4.37Å; I372-Y376 PolarHBondContact O-N 2.99Å; I372-Y376 VanDerWaalsContact O-N 3.11Å
373	Q	88.8	Confident	86.5	Confident	14 Å²	14	49.2 Å²	49.2	7%	0.065	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-35.4	177.1	-75.1	170.7	-6.2	0	0	113.7	V258 R369 K370 A371 L375 G378 D609	V258-Q373 VanDerWaalsContact O-CG 3.26Å; V258-Q373 WeakPolarHBondContact O-CG 3.28Å; V258-Q373 PolarHBondContact O-NE2 2.61Å; R369-Q373 WeakPolarHBondContact O-CB 3.09Å; R369-Q373 VanDerWaalsContact O-CD 3.31Å; R369-Q373 WeakPolarHBondContact O-CG 3.01Å; R369-Q373 PolarHBondContact O-N 2.82Å; K370-Q373 PolarHBondContact O-N 2.01Å; A371-Q373 VanDerWaalsContact C-N 3.33Å; A371-Q373 PolarHBondContact O-N 3.45Å; Q373-L375 VanDerWaalsContact C-N 3.3Å; Q373-G378 PolarHBondContact O-N 3.48Å; Q373-D609 PolarHBondContact NE2-OD1 3.48Å
374	H	87	Confident	87	Confident	149 Å²	149	44.5 Å²	44.5	69%	0.69	24%	0.235	S	C	*	.	H	α-helix	trans	-68.3	-35.2	174.1	-78.5	77.9	0	0	0	110.9	K370 A371	K370-H374 PolarHBondContact O-N 3.43Å; K370-H374 PolarHBondContact O-ND1 3.3Å; A371-H374 PolarHBondContact O-N 2.81Å
375	L	87.1	Confident	87.2	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-70.2	-41.8	-178.2	-169.4	61.1	0	0	0	112.7	T214 A220 L339 L341 A371 I372 Q373 A377	T214-L375 HydrophobicContact CG2-CD1 3.99Å; A220-L375 HydrophobicContact CB-CD1 3.93Å; A220-L375 HydrophobicContact CB-CD2 4.44Å; A220-L375 HydrophobicContact CB-CG 3.83Å; L339-L375 WeakPolarHBondContact O-CD2 3.26Å; L341-L375 HydrophobicContact CD2-CD2 4.39Å; A371-L375 PolarHBondContact O-N 2.98Å; A371-L375 VanDerWaalsContact O-N 3.14Å; I372-L375 PolarHBondContact O-N 3.45Å; Q373-L375 VanDerWaalsContact C-N 3.3Å; L375-A377 VanDerWaalsContact C-N 3.34Å; L375-A377 PolarHBondContact O-N 3.16Å
376	Y	86.6	Confident	87.6	Confident	20 Å²	20	43.9 Å²	43.9	8%	0.078	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	36.4	-177.1	-69.3	-83.9	0	0	0	113.7	A220 F221 L261 L339 I372 G378	A220-Y376 HydrophobicContact CB-CE1 3.98Å; F221-Y376 HydrophobicContact CB-CE1 4.01Å; F221-Y376 WeakPolarHBondContact CD2-OH 3.37Å; F221-Y376 PolarHBondContact N-OH 3.07Å; F221-Y376 WeakPolarHBondContact O-CE1 3.15Å; L261-Y376 HydrophobicContact CD1-CD1 4.04Å; L261-Y376 HydrophobicContact CD1-CD2 4.01Å; L261-Y376 HydrophobicContact CD1-CE1 3.83Å; L261-Y376 HydrophobicContact CD1-CE2 3.83Å; L261-Y376 HydrophobicContact CD1-CG 4.12Å; L261-Y376 HydrophobicContact CD2-CD1 3.67Å; L261-Y376 HydrophobicContact CD2-CE1 3.83Å; L261-Y376 HydrophobicContact CD2-CG 4.28Å; L261-Y376 HydrophobicContact CG-CD1 4.07Å; L261-Y376 HydrophobicContact CG-CE1 4.28Å; L261-Y376 HydrophobicContact CG-CG 4.21Å; L339-Y376 HydrophobicContact CB-CE2 4.22Å; L339-Y376 WeakPolarHBondContact O-CE2 3.5Å; L339-Y376 PolarHBondContact O-OH 3.28Å; I372-Y376 HydrophobicContact CD1-CD2 3.61Å; I372-Y376 HydrophobicContact CD1-CE2 3.47Å; I372-Y376 VanDerWaalsContact CD1-CE2 3.47Å; I372-Y376 HydrophobicContact CG1-CD2 4.03Å; I372-Y376 HydrophobicContact CG1-CE2 4.37Å; I372-Y376 PolarHBondContact O-N 2.99Å; I372-Y376 VanDerWaalsContact O-N 3.11Å; Y376-G378 PolarHBondContact O-N 3.14Å
377	A	67.4	Low	88.1	Confident	93 Å²	93	38.6 Å²	38.6	77%	0.769	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	44.4	167.8	0	0	0	0	0	116.6	L375	L375-A377 VanDerWaalsContact C-N 3.34Å; L375-A377 PolarHBondContact O-N 3.16Å
378	G	66.7	Low	88.4	Confident	31 Å²	31	35.6 Å²	35.6	32%	0.32	20%	0.199	S	C	.	.	S	Bend	trans	108.5	175.7	165.7	0	0	0	0	0	114.8	Q373 Y376	Q373-G378 PolarHBondContact O-N 3.48Å; Y376-G378 PolarHBondContact O-N 3.14Å
379	G	72.8	Confident	88.5	Confident	17 Å²	17	35.9 Å²	35.9	18%	0.175	20%	0.201	C	C	.	.	S	Bend	trans	-72.5	170	-168.9	0	0	0	0	0	113.7	K381 D604	G379-K381 PolarHBondContact O-N 3.22Å; G379-D604 PolarHBondContact N-OD2 2.91Å
380	C	89	Confident	88.6	Confident	12 Å²	12	36.3 Å²	36.3	8%	0.081	20%	0.202	C	C	.	.			trans	-70.9	122.7	-176.3	-61.3	0	0	0	0	111.6	S259 I610 C611	S259-C380 PolarHBondContact O-SG 2.76Å; S259-C380 VanDerWaalsContact O-SG 3.38Å; C380-I610 VanDerWaalsContact CB-O 3.28Å; C380-I610 WeakPolarHBondContact CB-O 3.17Å; C380-C611 VanDerWaalsContact CB-CA 3.49Å; C380-C611 HydrophobicContact CB-CB 3.71Å; C380-C611 WeakPolarHBondContact CB-SG 3.15Å; C380-C611 VanDerWaalsContact SG-CA 3.57Å; C380-C611 WeakPolarHBondContact SG-CB 3.24Å; C380-C611 CovalentContact SG-SG 2.01Å; C380-C611 PolarHBondContact SG-SG 3.18Å
381	K	90	Very high	88.6	Confident	124 Å²	124	35.4 Å²	35.4	54%	0.539	20%	0.199	S	C	.	.			trans	-105	141.9	-175.3	-67.7	174	-171.5	167.7	0	110.3	G379 T575	G379-K381 PolarHBondContact O-N 3.22Å; K381-T575 HydrophobicContact CB-CG2 4Å; K381-T575 HydrophobicContact CG-CG2 4.48Å
382	G	90.6	Very high	88.2	Confident	17 Å²	17	39 Å²	39	18%	0.175	21%	0.206	C	C	.	.			trans	173.9	159.4	171.7	0	0	0	0	0	112.3
383	R	94.3	Very high	87.7	Confident	153 Å²	153	44.1 Å²	44.1	58%	0.577	23%	0.228	S	C	*	.			trans	-78.1	144.7	174.9	179	176.7	-179.4	-113.9	-8.3	109.8	R411 D558	R383-R411 WeakPolarHBondContact O-CG 3.18Å; R383-R411 PolarHBondContact O-NE 3.29Å; R383-D558 HydrophobicContact CG-CB 4.28Å; R383-D558 WeakPolarHBondContact CG-OD2 3.38Å; R383-D558 IonicContact CZ-OD1 3.27Å; R383-D558 IonicContact NE-OD1 3.96Å; R383-D558 PolarHBondContact NE-OD1 3.09Å; R383-D558 IonicContact NE-OD2 2.74Å; R383-D558 PolarHBondContact NE-OD2 2.77Å; R383-D558 IonicContact NH2-OD1 3.86Å; R383-D558 PolarHBondContact NH2-OD1 2.83Å
384	F	95.8	Very high	87.3	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.035	24%	0.242	C	C	.	.			trans	-107.8	144.5	172.7	-61.9	-72.1	0	0	0	110.6	V387 F409 M410 R411 L572 V603 I610	F384-V387 HydrophobicContact CB-CG2 3.76Å; F384-V387 HydrophobicContact CD2-CG2 4.19Å; F384-V387 HydrophobicContact CG-CG2 3.99Å; F384-F409 HydrophobicContact CD1-CB 3.82Å; F384-F409 AromaticContact CD1-CD1 3.97Å; F384-F409 HydrophobicContact CD1-CD1 3.97Å; F384-F409 HydrophobicContact CD1-CG 4.4Å; F384-F409 AromaticContact CD2-CD1 3.86Å; F384-F409 HydrophobicContact CD2-CD1 3.86Å; F384-F409 HydrophobicContact CD2-CE1 4.41Å; F384-F409 HydrophobicContact CE1-CB 3.69Å; F384-F409 AromaticContact CE1-CD1 3.83Å; F384-F409 HydrophobicContact CE1-CD1 3.83Å; F384-F409 HydrophobicContact CE1-CG 4.15Å; F384-F409 AromaticContact CE2-CD1 3.71Å; F384-F409 HydrophobicContact CE2-CD1 3.71Å; F384-F409 HydrophobicContact CE2-CE1 4.17Å; F384-F409 AromaticContact CG-CD1 3.98Å; F384-F409 HydrophobicContact CG-CD1 3.98Å; F384-F409 HydrophobicContact CZ-CB 4.34Å; F384-F409 AromaticContact CZ-CD1 3.69Å; F384-F409 HydrophobicContact CZ-CD1 3.69Å; F384-F409 HydrophobicContact CZ-CE1 4.43Å; F384-F409 HydrophobicContact CZ-CG 4.31Å; F384-M410 CarbonylContact C-O 3.54Å; F384-M410 WeakPolarHBondContact CA-O 3.31Å; F384-R411 HydrophobicContact CD1-CB 4.46Å; F384-L572 HydrophobicContact CD2-CD2 4.32Å; F384-V603 HydrophobicContact CE2-CG1 3.79Å; F384-I610 HydrophobicContact CE1-CG2 3.51Å; F384-I610 HydrophobicContact CZ-CB 4.22Å; F384-I610 HydrophobicContact CZ-CD1 4.33Å; F384-I610 HydrophobicContact CZ-CG2 3.56Å
385	S	94.7	Very high	87.1	Confident	23 Å²	23	48.3 Å²	48.3	16%	0.161	25%	0.245	C	C	.	.	S	Bend	trans	-80.7	-31.4	173	72.2	0	0	0	0	111.6	M410 V445	S385-M410 PolarHBondContact N-O 2.84Å; S385-M410 PolarHBondContact OG-O 3.16Å; S385-V445 CarbonylContact C-O 3.57Å; S385-V445 WeakPolarHBondContact CB-O 3.38Å; S385-V445 PolarHBondContact OG-O 3.02Å; S385-V445 VanDerWaalsContact OG-O 3.13Å
386	T	96.6	Very high	86.9	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154	169.9	-170.6	0	0	0	0	110.2	F388 M410 V445 Y448	T386-F388 HydrophobicContact CG2-CD1 4.16Å; T386-F388 HydrophobicContact CG2-CE1 4.09Å; T386-M410 HydrophobicContact CG2-CB 3.58Å; T386-M410 HydrophobicContact CG2-CG 3.71Å; T386-M410 HydrophobicContact CG2-SD 3.45Å; T386-M410 WeakPolarHBondContact CG2-SD 3.28Å; T386-M410 PolarHBondContact N-O 3.45Å; T386-M410 PolarHBondContact O-N 2.87Å; T386-V445 HydrophobicContact CG2-CG2 3.42Å; T386-V445 VanDerWaalsContact CG2-CG2 3.42Å; T386-Y448 PolarHBondContact OG1-N 2.97Å
387	V	98	Very high	86.8	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.4	171.9	-176.6	0	0	0	0	108.1	F384 T407 Y408 F409 A559 Y561 L572	F384-V387 HydrophobicContact CB-CG2 3.76Å; F384-V387 HydrophobicContact CD2-CG2 4.19Å; F384-V387 HydrophobicContact CG-CG2 3.99Å; V387-T407 HydrophobicContact CG1-CG2 3.72Å; V387-Y408 CarbonylContact C-O 3.58Å; V387-Y408 VanDerWaalsContact CA-O 3.29Å; V387-Y408 WeakPolarHBondContact CA-O 3.38Å; V387-F409 HydrophobicContact CB-CD1 4.27Å; V387-F409 HydrophobicContact CB-CE1 4.36Å; V387-F409 HydrophobicContact CG1-CD1 3.78Å; V387-F409 HydrophobicContact CG1-CE1 3.56Å; V387-F409 HydrophobicContact CG1-CE2 4.35Å; V387-F409 HydrophobicContact CG1-CG 4.25Å; V387-F409 HydrophobicContact CG1-CZ 3.86Å; V387-F409 HydrophobicContact CG2-CD1 3.47Å; V387-F409 VanDerWaalsContact CG2-CD1 3.47Å; V387-F409 HydrophobicContact CG2-CE1 3.79Å; V387-F409 HydrophobicContact CG2-CG 4.31Å; V387-A559 HydrophobicContact CB-CB 4.04Å; V387-A559 HydrophobicContact CG2-CB 3.88Å; V387-Y561 HydrophobicContact CB-CD1 4.01Å; V387-Y561 HydrophobicContact CB-CE1 4.17Å; V387-Y561 HydrophobicContact CG1-CD1 3.82Å; V387-Y561 HydrophobicContact CG1-CE1 3.55Å; V387-Y561 HydrophobicContact CG1-CE2 4.31Å; V387-Y561 HydrophobicContact CG1-CG 4.33Å; V387-Y561 WeakPolarHBondContact O-CB 3.44Å; V387-L572 HydrophobicContact CG2-CD2 3.95Å
388	F	96.9	Very high	87.8	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	153.4	177.2	58.9	-84.8	0	0	0	113.5	T386 W390 T407 Y408 M410 W437 Y448 F461	T386-F388 HydrophobicContact CG2-CD1 4.16Å; T386-F388 HydrophobicContact CG2-CE1 4.09Å; F388-W390 HydrophobicContact CD2-CB 4.23Å; F388-W390 HydrophobicContact CE2-CB 3.99Å; F388-T407 CarbonylContact O-C 3.56Å; F388-T407 WeakPolarHBondContact O-CA 3.41Å; F388-Y408 HydrophobicContact CE2-CD2 4.42Å; F388-Y408 HydrophobicContact CE2-CG 4.32Å; F388-Y408 HydrophobicContact CZ-CG 4.37Å; F388-Y408 PolarHBondContact N-O 2.91Å; F388-Y408 PolarHBondContact O-N 2.88Å; F388-M410 HydrophobicContact CE1-CE 3.51Å; F388-M410 HydrophobicContact CE1-CG 4.29Å; F388-M410 HydrophobicContact CE1-SD 3.82Å; F388-M410 HydrophobicContact CZ-CE 3.52Å; F388-M410 HydrophobicContact CZ-SD 4.42Å; F388-W437 AromaticContact CE2-CH2 3.52Å; F388-W437 HydrophobicContact CE2-CH2 3.52Å; F388-W437 AromaticContact CE2-CZ2 3.64Å; F388-W437 HydrophobicContact CE2-CZ2 3.64Å; F388-W437 HydrophobicContact CE2-CZ3 4.38Å; F388-W437 AromaticContact CZ-CH2 3.74Å; F388-W437 HydrophobicContact CZ-CH2 3.74Å; F388-W437 AromaticContact CZ-CZ2 3.53Å; F388-W437 HydrophobicContact CZ-CZ2 3.53Å; F388-W437 HydrophobicContact CZ-CZ3 4.43Å; F388-Y448 HydrophobicContact CB-CD1 3.15Å; F388-Y448 HydrophobicContact CB-CE1 3.65Å; F388-Y448 HydrophobicContact CB-CG 3.69Å; F388-Y448 HydrophobicContact CD1-CD1 4.08Å; F388-Y448 HydrophobicContact CD1-CD2 4.15Å; F388-Y448 AromaticContact CD1-CG 3.68Å; F388-Y448 HydrophobicContact CD1-CG 3.68Å; F388-Y448 AromaticContact CD2-CD1 3.57Å; F388-Y448 HydrophobicContact CD2-CD1 3.57Å; F388-Y448 AromaticContact CD2-CD2 3.76Å; F388-Y448 HydrophobicContact CD2-CD2 3.76Å; F388-Y448 AromaticContact CD2-CE1 3.49Å; F388-Y448 HydrophobicContact CD2-CE1 3.49Å; F388-Y448 VanDerWaalsContact CD2-CE1 3.49Å; F388-Y448 AromaticContact CD2-CE2 3.66Å; F388-Y448 HydrophobicContact CD2-CE2 3.66Å; F388-Y448 AromaticContact CD2-CG 3.67Å; F388-Y448 HydrophobicContact CD2-CG 3.67Å; F388-Y448 AromaticContact CD2-CZ 3.52Å; F388-Y448 HydrophobicContact CE1-CD2 4.19Å; F388-Y448 HydrophobicContact CE1-CG 4.16Å; F388-Y448 HydrophobicContact CE2-CD1 4.43Å; F388-Y448 AromaticContact CE2-CD2 3.79Å; F388-Y448 HydrophobicContact CE2-CD2 3.79Å; F388-Y448 HydrophobicContact CE2-CE1 4.33Å; F388-Y448 AromaticContact CE2-CE2 3.64Å; F388-Y448 HydrophobicContact CE2-CE2 3.64Å; F388-Y448 HydrophobicContact CE2-CG 4.14Å; F388-Y448 AromaticContact CE2-CZ 3.92Å; F388-Y448 AromaticContact CG-CD1 3.35Å; F388-Y448 HydrophobicContact CG-CD1 3.35Å; F388-Y448 AromaticContact CG-CD2 3.93Å; F388-Y448 HydrophobicContact CG-CD2 3.93Å; F388-Y448 AromaticContact CG-CE1 3.77Å; F388-Y448 HydrophobicContact CG-CE1 3.77Å; F388-Y448 HydrophobicContact CG-CE2 4.28Å; F388-Y448 AromaticContact CG-CG 3.4Å; F388-Y448 HydrophobicContact CG-CG 3.4Å; F388-Y448 HydrophobicContact CZ-CD2 4.01Å; F388-Y448 HydrophobicContact CZ-CE2 4.26Å; F388-Y448 HydrophobicContact CZ-CG 4.37Å; F388-F461 AromaticContact CE1-CE1 3.98Å; F388-F461 HydrophobicContact CE1-CE1 3.98Å; F388-F461 HydrophobicContact CE2-CZ 4.5Å; F388-F461 AromaticContact CZ-CE1 3.86Å; F388-F461 HydrophobicContact CZ-CE1 3.86Å; F388-F461 AromaticContact CZ-CZ 3.95Å; F388-F461 HydrophobicContact CZ-CZ 3.95Å
389	D	95.8	Very high	88.7	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.032	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.2	166.8	-77.4	7.3	0	0	0	109.5	N406 T407 Y561 S563 Y564	D389-N406 WeakPolarHBondContact CA-O 3.46Å; D389-T407 WeakPolarHBondContact OD1-CA 3.39Å; D389-T407 VanDerWaalsContact OD1-CB 3.3Å; D389-T407 WeakPolarHBondContact OD1-CB 3.15Å; D389-T407 WeakPolarHBondContact OD1-CG2 3.41Å; D389-T407 PolarHBondContact OD1-OG1 3.46Å; D389-Y561 WeakPolarHBondContact OD1-CE2 3.47Å; D389-S563 WeakPolarHBondContact OD2-CA 3.24Å; D389-Y564 HydrophobicContact CB-CD2 3.83Å; D389-Y564 PolarHBondContact OD2-N 2.8Å
390	W	92.6	Very high	89.4	Confident	13 Å²	13	64.3 Å²	64.3	5%	0.049	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.5	171.7	-173.9	37.4	0	0	0	110.5	F388 R392 F405 N406 Y408 W437 S472	F388-W390 HydrophobicContact CD2-CB 4.23Å; F388-W390 HydrophobicContact CE2-CB 3.99Å; W390-R392 HydrophobicContact CD2-CG 4.03Å; W390-R392 HydrophobicContact CE3-CG 4.42Å; W390-R392 VanDerWaalsContact CE3-NH2 3.26Å; W390-R392 HydrophobicContact CH2-CG 4.37Å; W390-R392 VanDerWaalsContact CH2-CZ 3.42Å; W390-R392 HydrophobicContact CZ2-CG 3.94Å; W390-F405 WeakPolarHBondContact O-CA 3.45Å; W390-F405 WeakPolarHBondContact O-CB 3.46Å; W390-N406 PolarHBondContact N-O 2.94Å; W390-N406 PolarHBondContact O-N 3.27Å; W390-Y408 HydrophobicContact CB-CD2 3.71Å; W390-Y408 HydrophobicContact CB-CE2 3.6Å; W390-Y408 AromaticContact CE3-CE2 3.91Å; W390-Y408 HydrophobicContact CE3-CE2 3.91Å; W390-Y408 AromaticContact CE3-CZ 3.72Å; W390-Y408 HydrophobicContact CG-CE2 4.48Å; W390-W437 HydrophobicContact CB-CH2 4.06Å; W390-W437 AromaticContact CD2-CH2 3.47Å; W390-W437 HydrophobicContact CD2-CH2 3.47Å; W390-W437 VanDerWaalsContact CD2-CH2 3.47Å; W390-W437 HydrophobicContact CD2-CZ2 4.21Å; W390-W437 HydrophobicContact CD2-CZ3 4.23Å; W390-W437 AromaticContact CE3-CH2 3.44Å; W390-W437 HydrophobicContact CE3-CH2 3.44Å; W390-W437 VanDerWaalsContact CE3-CH2 3.44Å; W390-W437 AromaticContact CE3-CZ2 3.76Å; W390-W437 HydrophobicContact CE3-CZ2 3.76Å; W390-W437 HydrophobicContact CE3-CZ3 4.3Å; W390-W437 AromaticContact CG-CH2 3.65Å; W390-W437 HydrophobicContact CG-CH2 3.65Å; W390-W437 HydrophobicContact CG-CZ2 4.44Å; W390-W437 AromaticContact CZ3-CH2 3.92Å; W390-W437 HydrophobicContact CZ3-CH2 3.92Å; W390-W437 HydrophobicContact CZ3-CZ2 4.22Å; W390-W437 HydrophobicContact CZ3-CZ3 4.42Å; W390-S472 PolarHBondContact NE1-OG 3.33Å
391	I	88.1	Confident	89	Confident	13 Å²	13	67.8 Å²	67.8	7%	0.067	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.1	-172.7	-52.6	172.1	0	0	0	108.6	I403 R404 F405 H450 W452 Y564	I391-I403 HydrophobicContact CG2-CG2 3.42Å; I391-I403 VanDerWaalsContact CG2-CG2 3.42Å; I391-R404 WeakPolarHBondContact CA-O 3.23Å; I391-F405 HydrophobicContact CG1-CB 4.22Å; I391-H450 WeakPolarHBondContact CD1-ND1 3.31Å; I391-W452 HydrophobicContact CD1-CE3 3.43Å; I391-W452 VanDerWaalsContact CD1-CE3 3.43Å; I391-W452 HydrophobicContact CD1-CZ3 3.39Å; I391-W452 HydrophobicContact CG1-CZ3 4.45Å; I391-W452 HydrophobicContact CG2-CH2 4.07Å; I391-W452 HydrophobicContact CG2-CZ3 3.83Å; I391-Y564 HydrophobicContact CD1-CD1 4.48Å; I391-Y564 HydrophobicContact CD1-CD2 3.93Å; I391-Y564 HydrophobicContact CD1-CE1 3.9Å; I391-Y564 HydrophobicContact CD1-CE2 3.28Å; I391-Y564 HydrophobicContact CD1-CG 4.49Å; I391-Y564 WeakPolarHBondContact CD1-OH 2.97Å; I391-Y564 HydrophobicContact CG1-CD2 4.34Å; I391-Y564 HydrophobicContact CG1-CE2 4.1Å
392	R	81.6	Confident	88.8	Confident	108 Å²	108	67.5 Å²	67.5	41%	0.408	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.8	178.5	-58.6	-172.9	-169.3	179.2	7.7	110.6	W390 I403 R404 Y408	W390-R392 HydrophobicContact CD2-CG 4.03Å; W390-R392 HydrophobicContact CE3-CG 4.42Å; W390-R392 VanDerWaalsContact CE3-NH2 3.26Å; W390-R392 HydrophobicContact CH2-CG 4.37Å; W390-R392 VanDerWaalsContact CH2-CZ 3.42Å; W390-R392 HydrophobicContact CZ2-CG 3.94Å; R392-I403 WeakPolarHBondContact O-CA 3.24Å; R392-R404 PolarHBondContact N-O 2.72Å; R392-R404 PolarHBondContact O-N 3.37Å; R392-Y408 PolarHBondContact NH2-OH 3.39Å
393	K	81.4	Confident	88.4	Confident	107 Å²	107	70.6 Å²	70.6	47%	0.465	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.9	172.2	-65.9	172.7	-165.8	157.3	0	107.5	V401 E457	K393-V401 HydrophobicContact CB-CG1 3.81Å; K393-V401 HydrophobicContact CG-CG1 4.19Å; K393-E457 VanDerWaalsContact NZ-CD 3.32Å; K393-E457 IonicContact NZ-OE1 3.05Å; K393-E457 PolarHBondContact NZ-OE1 3.11Å; K393-E457 IonicContact NZ-OE2 2.73Å; K393-E457 PolarHBondContact NZ-OE2 2.85Å
394	E	80.3	Confident	88	Confident	78 Å²	78	68 Å²	68	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.9	176.2	-71.8	175.3	-169.4	0	0	109.6	V401 K402 R404	E394-V401 CarbonylContact O-C 3.53Å; E394-V401 WeakPolarHBondContact O-CA 3.1Å; E394-K402 PolarHBondContact N-O 3.5Å; E394-K402 PolarHBondContact O-N 3.49Å; E394-R404 WeakPolarHBondContact OE1-CD 3.44Å; E394-R404 IonicContact OE1-NE 3.16Å; E394-R404 WeakPolarHBondContact OE2-CD 3.44Å; E394-R404 IonicContact OE2-CZ 2.77Å; E394-R404 IonicContact OE2-NE 3.43Å; E394-R404 PolarHBondContact OE2-NE 2.96Å; E394-R404 IonicContact OE2-NH2 3.98Å
395	K	82.8	Confident	87.8	Confident	172 Å²	172	70.7 Å²	70.7	75%	0.748	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	125.6	168.3	-68.9	-178.9	-177.8	177.2	0	108.6	D400 V401	K395-D400 CarbonylContact C-O 3.51Å; K395-D400 WeakPolarHBondContact CA-O 3.44Å; K395-V401 HydrophobicContact CG-CG2 4.32Å
396	T	82.3	Confident	87.8	Confident	22 Å²	22	71.8 Å²	71.8	14%	0.135	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.2	163.8	171.1	66.7	0	0	0	0	110	Y398 G399 D400 K402	T396-Y398 PolarHBondContact O-N 3.12Å; T396-Y398 PolarHBondContact OG1-N 2.54Å; T396-G399 PolarHBondContact O-N 3.46Å; T396-G399 PolarHBondContact OG1-N 2.99Å; T396-D400 HydrophobicContact CG2-CB 4.15Å; T396-D400 PolarHBondContact N-O 3.28Å; T396-D400 WeakPolarHBondContact OG1-CB 3.38Å; T396-D400 PolarHBondContact OG1-N 3.13Å; T396-D400 PolarHBondContact OG1-O 3.36Å; T396-K402 HydrophobicContact CG2-CB 4.41Å; T396-K402 HydrophobicContact CG2-CD 3.6Å; T396-K402 HydrophobicContact CG2-CG 3.71Å
397	P	86.4	Confident	87.9	Confident	132 Å²	132	71.6 Å²	71.6	86%	0.857	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.3	170.7	-27.4	36.1	0	0	0	113.9
398	Y	87.9	Confident	87.8	Confident	205 Å²	205	71.8 Å²	71.8	80%	0.804	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	0.5	178.7	-52.5	-73.9	0	0	0	113.6	T396	T396-Y398 PolarHBondContact O-N 3.12Å; T396-Y398 PolarHBondContact OG1-N 2.54Å
399	G	84.4	Confident	87.9	Confident	51 Å²	51	71.7 Å²	71.7	53%	0.526	35%	0.35	S	S	.	.	S	Bend	trans	89.5	-3.2	178.5	0	0	0	0	0	115.4	T396	T396-G399 PolarHBondContact O-N 3.46Å; T396-G399 PolarHBondContact OG1-N 2.99Å
400	D	87.6	Confident	87.9	Confident	98 Å²	98	71.4 Å²	71.4	52%	0.524	35%	0.349	S	S	.	.			trans	-70.6	138.3	177.1	-56.2	-56.1	0	0	0	111.2	K395 T396 K402	K395-D400 CarbonylContact C-O 3.51Å; K395-D400 WeakPolarHBondContact CA-O 3.44Å; T396-D400 HydrophobicContact CG2-CB 4.15Å; T396-D400 PolarHBondContact N-O 3.28Å; T396-D400 WeakPolarHBondContact OG1-CB 3.38Å; T396-D400 PolarHBondContact OG1-N 3.13Å; T396-D400 PolarHBondContact OG1-O 3.36Å; D400-K402 PolarHBondContact O-N 3.2Å
401	V	81.9	Confident	87.9	Confident	86 Å²	86	71.6 Å²	71.6	52%	0.521	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	109.1	173.1	-177.4	0	0	0	0	109.5	K393 E394 K395	K393-V401 HydrophobicContact CB-CG1 3.81Å; K393-V401 HydrophobicContact CG-CG1 4.19Å; E394-V401 CarbonylContact O-C 3.53Å; E394-V401 WeakPolarHBondContact O-CA 3.1Å; K395-V401 HydrophobicContact CG-CG2 4.32Å
402	K	84.9	Confident	87.9	Confident	118 Å²	118	76.1 Å²	76.1	51%	0.513	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.6	170.1	-76.1	-171.2	178.8	177.3	0	110.5	E394 T396 D400	E394-K402 PolarHBondContact N-O 3.5Å; E394-K402 PolarHBondContact O-N 3.49Å; T396-K402 HydrophobicContact CG2-CB 4.41Å; T396-K402 HydrophobicContact CG2-CD 3.6Å; T396-K402 HydrophobicContact CG2-CG 3.71Å; D400-K402 PolarHBondContact O-N 3.2Å
403	I	82.6	Confident	88.3	Confident	81 Å²	81	71.7 Å²	71.7	42%	0.415	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.2	174.1	-56.3	-176.9	0	0	0	107.9	I391 R392 W452	I391-I403 HydrophobicContact CG2-CG2 3.42Å; I391-I403 VanDerWaalsContact CG2-CG2 3.42Å; R392-I403 WeakPolarHBondContact O-CA 3.24Å; I403-W452 HydrophobicContact CD1-CH2 3.75Å; I403-W452 HydrophobicContact CD1-CZ2 3.99Å; I403-W452 HydrophobicContact CG2-CH2 4.23Å
404	R	86.4	Confident	89	Confident	99 Å²	99	70.5 Å²	70.5	37%	0.374	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	152	172.5	-64.5	-149	-170.4	-135.7	2.7	110.2	I391 R392 E394	I391-R404 WeakPolarHBondContact CA-O 3.23Å; R392-R404 PolarHBondContact N-O 2.72Å; R392-R404 PolarHBondContact O-N 3.37Å; E394-R404 WeakPolarHBondContact OE1-CD 3.44Å; E394-R404 IonicContact OE1-NE 3.16Å; E394-R404 WeakPolarHBondContact OE2-CD 3.44Å; E394-R404 IonicContact OE2-CZ 2.77Å; E394-R404 IonicContact OE2-NE 3.43Å; E394-R404 PolarHBondContact OE2-NE 2.96Å; E394-R404 IonicContact OE2-NH2 3.98Å
405	F	90.6	Very high	89.7	Confident	65 Å²	65	67.3 Å²	67.3	29%	0.285	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	144.6	173.2	56	-92.6	0	0	0	110.4	W390 I391	W390-F405 WeakPolarHBondContact O-CA 3.45Å; W390-F405 WeakPolarHBondContact O-CB 3.46Å; I391-F405 HydrophobicContact CG1-CB 4.22Å
406	N	95.3	Very high	90.4	Very high	46 Å²	46	59.3 Å²	59.3	25%	0.246	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.6	169.7	-78.4	-34.6	0	0	0	107.9	D389 W390 Y408 L417 Y418 N420	D389-N406 WeakPolarHBondContact CA-O 3.46Å; W390-N406 PolarHBondContact N-O 2.94Å; W390-N406 PolarHBondContact O-N 3.27Å; N406-Y408 HydrophobicContact CB-CE2 4.36Å; N406-Y408 WeakPolarHBondContact O-CD2 3.33Å; N406-L417 HydrophobicContact CB-CD2 3.77Å; N406-L417 HydrophobicContact CB-CG 4.22Å; N406-Y418 WeakPolarHBondContact CB-O 3.45Å; N406-N420 PolarHBondContact OD1-N 2.63Å
407	T	97.6	Very high	91.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.2	-179.1	-53.3	0	0	0	0	108.5	V387 F388 D389 F409 Y418 N420 Y561	V387-T407 HydrophobicContact CG1-CG2 3.72Å; F388-T407 CarbonylContact O-C 3.56Å; F388-T407 WeakPolarHBondContact O-CA 3.41Å; D389-T407 WeakPolarHBondContact OD1-CA 3.39Å; D389-T407 VanDerWaalsContact OD1-CB 3.3Å; D389-T407 WeakPolarHBondContact OD1-CB 3.15Å; D389-T407 WeakPolarHBondContact OD1-CG2 3.41Å; D389-T407 PolarHBondContact OD1-OG1 3.46Å; T407-F409 HydrophobicContact CG2-CD2 4.12Å; T407-F409 HydrophobicContact CG2-CE2 3.47Å; T407-F409 VanDerWaalsContact CG2-CE2 3.47Å; T407-F409 HydrophobicContact CG2-CZ 3.85Å; T407-Y418 PolarHBondContact N-O 2.63Å; T407-Y418 VanDerWaalsContact N-O 3.16Å; T407-Y418 WeakPolarHBondContact O-CA 3.3Å; T407-Y418 WeakPolarHBondContact O-CB 3.29Å; T407-Y418 PolarHBondContact O-N 3.46Å; T407-N420 PolarHBondContact N-ND2 3.1Å; T407-N420 PolarHBondContact OG1-ND2 3.39Å; T407-N420 PolarHBondContact OG1-OD1 2.85Å; T407-Y561 HydrophobicContact CG2-CE2 4Å
408	Y	97.4	Very high	91.6	Very high	6 Å²	6	52.6 Å²	52.6	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.4	176.3	-73.3	-105.1	0	0	0	108.4	V387 F388 W390 R392 N406 Y415 W416 L417 W437	V387-Y408 CarbonylContact C-O 3.58Å; V387-Y408 VanDerWaalsContact CA-O 3.29Å; V387-Y408 WeakPolarHBondContact CA-O 3.38Å; F388-Y408 HydrophobicContact CE2-CD2 4.42Å; F388-Y408 HydrophobicContact CE2-CG 4.32Å; F388-Y408 HydrophobicContact CZ-CG 4.37Å; F388-Y408 PolarHBondContact N-O 2.91Å; F388-Y408 PolarHBondContact O-N 2.88Å; W390-Y408 HydrophobicContact CB-CD2 3.71Å; W390-Y408 HydrophobicContact CB-CE2 3.6Å; W390-Y408 AromaticContact CE3-CE2 3.91Å; W390-Y408 HydrophobicContact CE3-CE2 3.91Å; W390-Y408 AromaticContact CE3-CZ 3.72Å; W390-Y408 HydrophobicContact CG-CE2 4.48Å; R392-Y408 PolarHBondContact NH2-OH 3.39Å; N406-Y408 HydrophobicContact CB-CE2 4.36Å; N406-Y408 WeakPolarHBondContact O-CD2 3.33Å; Y408-Y415 AromaticContact CD1-CD2 3.63Å; Y408-Y415 HydrophobicContact CD1-CD2 3.63Å; Y408-Y415 AromaticContact CD1-CE2 3.95Å; Y408-Y415 HydrophobicContact CD1-CE2 3.95Å; Y408-Y415 AromaticContact CE1-CD2 3.95Å; Y408-Y415 HydrophobicContact CE1-CD2 3.95Å; Y408-Y415 AromaticContact CE1-CE2 3.76Å; Y408-Y415 HydrophobicContact CE1-CE2 3.76Å; Y408-W416 WeakPolarHBondContact CA-O 3.35Å; Y408-L417 HydrophobicContact CD1-CB 4.48Å; Y408-L417 HydrophobicContact CE1-CB 4.11Å; Y408-L417 HydrophobicContact CE1-CD1 4.04Å; Y408-L417 HydrophobicContact CE1-CG 4.05Å; Y408-L417 HydrophobicContact CE2-CD1 4.46Å; Y408-L417 HydrophobicContact CE2-CG 4.22Å; Y408-L417 WeakPolarHBondContact OH-CD1 3.39Å; Y408-W437 AromaticContact CD1-CZ2 3.69Å; Y408-W437 HydrophobicContact CD1-CZ2 3.69Å; Y408-W437 AromaticContact CD1-NE1 3.78Å; Y408-W437 HydrophobicContact CD2-CZ2 4.31Å; Y408-W437 AromaticContact CE1-CZ2 3.77Å; Y408-W437 HydrophobicContact CE1-CZ2 3.77Å; Y408-W437 AromaticContact CE1-NE1 3.99Å; Y408-W437 HydrophobicContact CE2-CZ2 4.43Å; Y408-W437 AromaticContact CG-CZ2 3.96Å; Y408-W437 HydrophobicContact CG-CZ2 3.96Å
409	F	97.7	Very high	91.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.5	171.6	-69	-96.6	0	0	0	107.2	F384 V387 T407 Y415 W416 Y418 W607 I610	F384-F409 HydrophobicContact CD1-CB 3.82Å; F384-F409 AromaticContact CD1-CD1 3.97Å; F384-F409 HydrophobicContact CD1-CD1 3.97Å; F384-F409 HydrophobicContact CD1-CG 4.4Å; F384-F409 AromaticContact CD2-CD1 3.86Å; F384-F409 HydrophobicContact CD2-CD1 3.86Å; F384-F409 HydrophobicContact CD2-CE1 4.41Å; F384-F409 HydrophobicContact CE1-CB 3.69Å; F384-F409 AromaticContact CE1-CD1 3.83Å; F384-F409 HydrophobicContact CE1-CD1 3.83Å; F384-F409 HydrophobicContact CE1-CG 4.15Å; F384-F409 AromaticContact CE2-CD1 3.71Å; F384-F409 HydrophobicContact CE2-CD1 3.71Å; F384-F409 HydrophobicContact CE2-CE1 4.17Å; F384-F409 AromaticContact CG-CD1 3.98Å; F384-F409 HydrophobicContact CG-CD1 3.98Å; F384-F409 HydrophobicContact CZ-CB 4.34Å; F384-F409 AromaticContact CZ-CD1 3.69Å; F384-F409 HydrophobicContact CZ-CD1 3.69Å; F384-F409 HydrophobicContact CZ-CE1 4.43Å; F384-F409 HydrophobicContact CZ-CG 4.31Å; V387-F409 HydrophobicContact CB-CD1 4.27Å; V387-F409 HydrophobicContact CB-CE1 4.36Å; V387-F409 HydrophobicContact CG1-CD1 3.78Å; V387-F409 HydrophobicContact CG1-CE1 3.56Å; V387-F409 HydrophobicContact CG1-CE2 4.35Å; V387-F409 HydrophobicContact CG1-CG 4.25Å; V387-F409 HydrophobicContact CG1-CZ 3.86Å; V387-F409 HydrophobicContact CG2-CD1 3.47Å; V387-F409 VanDerWaalsContact CG2-CD1 3.47Å; V387-F409 HydrophobicContact CG2-CE1 3.79Å; V387-F409 HydrophobicContact CG2-CG 4.31Å; T407-F409 HydrophobicContact CG2-CD2 4.12Å; T407-F409 HydrophobicContact CG2-CE2 3.47Å; T407-F409 VanDerWaalsContact CG2-CE2 3.47Å; T407-F409 HydrophobicContact CG2-CZ 3.85Å; F409-Y415 CarbonylContact O-C 3.54Å; F409-Y415 WeakPolarHBondContact O-CA 3.33Å; F409-Y415 WeakPolarHBondContact O-CB 3.37Å; F409-W416 HydrophobicContact CB-CB 4.48Å; F409-W416 HydrophobicContact CB-CE3 4.48Å; F409-W416 PolarHBondContact N-O 2.9Å; F409-W416 PolarHBondContact O-N 3.46Å; F409-Y418 HydrophobicContact CE2-CG 4.25Å; F409-W607 HydrophobicContact CE1-CD2 4.28Å; F409-W607 HydrophobicContact CE1-CE3 4.48Å; F409-W607 HydrophobicContact CE1-CG 4.35Å; F409-W607 HydrophobicContact CE2-CB 4.37Å; F409-W607 AromaticContact CE2-CD1 3.84Å; F409-W607 HydrophobicContact CE2-CG 4.04Å; F409-W607 HydrophobicContact CZ-CB 3.96Å; F409-W607 AromaticContact CZ-CD1 3.57Å; F409-W607 AromaticContact CZ-CD2 3.62Å; F409-W607 HydrophobicContact CZ-CD2 3.62Å; F409-W607 AromaticContact CZ-CE2 3.89Å; F409-W607 HydrophobicContact CZ-CE3 4.25Å; F409-W607 AromaticContact CZ-CG 3.45Å; F409-W607 HydrophobicContact CZ-CG 3.45Å; F409-W607 VanDerWaalsContact CZ-CG 3.45Å; F409-W607 AromaticContact CZ-NE1 3.82Å; F409-I610 HydrophobicContact CB-CD1 4.44Å; F409-I610 HydrophobicContact CB-CG2 4.28Å; F409-I610 HydrophobicContact CD1-CD1 3.85Å; F409-I610 HydrophobicContact CD2-CD1 3.49Å; F409-I610 VanDerWaalsContact CD2-CD1 3.49Å; F409-I610 HydrophobicContact CE1-CD1 3.92Å; F409-I610 HydrophobicContact CE2-CD1 3.56Å; F409-I610 HydrophobicContact CG-CD1 3.66Å; F409-I610 HydrophobicContact CZ-CD1 3.79Å
410	M	96.6	Very high	92.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138	175.7	-60.7	-175.9	167.8	0	0	109.8	F384 S385 T386 F388 W414 L433 W437 I440 V445 F461	F384-M410 CarbonylContact C-O 3.54Å; F384-M410 WeakPolarHBondContact CA-O 3.31Å; S385-M410 PolarHBondContact N-O 2.84Å; S385-M410 PolarHBondContact OG-O 3.16Å; T386-M410 HydrophobicContact CG2-CB 3.58Å; T386-M410 HydrophobicContact CG2-CG 3.71Å; T386-M410 HydrophobicContact CG2-SD 3.45Å; T386-M410 WeakPolarHBondContact CG2-SD 3.28Å; T386-M410 PolarHBondContact N-O 3.45Å; T386-M410 PolarHBondContact O-N 2.87Å; F388-M410 HydrophobicContact CE1-CE 3.51Å; F388-M410 HydrophobicContact CE1-CG 4.29Å; F388-M410 HydrophobicContact CE1-SD 3.82Å; F388-M410 HydrophobicContact CZ-CE 3.52Å; F388-M410 HydrophobicContact CZ-SD 4.42Å; M410-W414 WeakPolarHBondContact CA-O 3.32Å; M410-L433 HydrophobicContact CE-CD2 3.47Å; M410-L433 VanDerWaalsContact CE-CD2 3.47Å; M410-L433 HydrophobicContact CG-CD2 3.88Å; M410-L433 HydrophobicContact SD-CD2 3.57Å; M410-L433 VanDerWaalsContact SD-CD2 3.57Å; M410-W437 HydrophobicContact CE-CD2 4.03Å; M410-W437 HydrophobicContact CE-CG 3.93Å; M410-W437 HydrophobicContact CE-CZ2 4.4Å; M410-I440 HydrophobicContact CE-CD1 4.45Å; M410-V445 HydrophobicContact SD-CG2 3.64Å; M410-F461 HydrophobicContact CE-CE1 4.2Å
411	R	92.7	Very high	92.4	Very high	17 Å²	17	47.9 Å²	47.9	6%	0.064	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	118.3	174.2	-171.1	-179.2	-66.7	155.9	1.1	106.5	R383 F384 G413 W414 W416 D612	R383-R411 WeakPolarHBondContact O-CG 3.18Å; R383-R411 PolarHBondContact O-NE 3.29Å; F384-R411 HydrophobicContact CD1-CB 4.46Å; R411-G413 PolarHBondContact O-N 2.97Å; R411-W414 PolarHBondContact N-O 2.86Å; R411-W414 PolarHBondContact O-N 3.12Å; R411-W416 HydrophobicContact CB-CH2 3.84Å; R411-W416 HydrophobicContact CB-CZ3 3.51Å; R411-D612 IonicContact CZ-OD1 2.81Å; R411-D612 IonicContact CZ-OD2 3.79Å; R411-D612 IonicContact NH1-OD1 3.82Å; R411-D612 PolarHBondContact NH1-OD1 3.42Å; R411-D612 IonicContact NH1-OD2 2.79Å; R411-D612 PolarHBondContact NH1-OD2 3.17Å
412	D	87	Confident	92.8	Very high	108 Å²	108	48 Å²	48	58%	0.578	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	-126.7	-177.3	-50.3	-46.5	0	0	0	111.2	W414 L433 D443 G444	D412-W414 VanDerWaalsContact C-N 3.28Å; D412-W414 PolarHBondContact O-N 3.48Å; D412-L433 VanDerWaalsContact O-CD1 3.24Å; D412-L433 WeakPolarHBondContact O-CD1 3.13Å; D412-D443 CarbonylContact C-O 3.57Å; D412-D443 CarbonylContact O-C 3.59Å; D412-G444 WeakPolarHBondContact O-CA 3.3Å; D412-G444 PolarHBondContact O-N 3.04Å
413	G	91.7	Very high	93.1	Very high	15 Å²	15	45.4 Å²	45.4	16%	0.155	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	10.2	178.7	0	0	0	0	0	116	R411 L433 S442	R411-G413 PolarHBondContact O-N 2.97Å; G413-L433 WeakPolarHBondContact O-CG 3.09Å; G413-L433 PolarHBondContact O-N 3.01Å; G413-S442 WeakPolarHBondContact CA-O 3.48Å
414	W	94.8	Very high	93.4	Very high	82 Å²	82	43.1 Å²	43.1	31%	0.311	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	155.6	-170.5	-59.1	95.8	0	0	0	112.6	M410 R411 D412 W416 P430 V431 A432 L618	M410-W414 WeakPolarHBondContact CA-O 3.32Å; R411-W414 PolarHBondContact N-O 2.86Å; R411-W414 PolarHBondContact O-N 3.12Å; D412-W414 VanDerWaalsContact C-N 3.28Å; D412-W414 PolarHBondContact O-N 3.48Å; W414-W416 HydrophobicContact CB-CH2 4.36Å; W414-W416 HydrophobicContact CB-CZ3 4.39Å; W414-P430 HydrophobicContact CB-CB 4Å; W414-P430 HydrophobicContact CE3-CB 4.14Å; W414-P430 HydrophobicContact CG-CB 4.48Å; W414-V431 WeakPolarHBondContact CA-O 3.48Å; W414-A432 HydrophobicContact CE3-CB 4.07Å; W414-A432 VanDerWaalsContact CE3-N 3.25Å; W414-A432 HydrophobicContact CH2-CB 4.16Å; W414-A432 HydrophobicContact CZ3-CB 3.75Å; W414-L618 HydrophobicContact CD2-CD1 4.05Å; W414-L618 HydrophobicContact CE3-CD1 3.95Å; W414-L618 HydrophobicContact CH2-CB 3.72Å; W414-L618 HydrophobicContact CH2-CD1 3.5Å; W414-L618 VanDerWaalsContact CH2-CD1 3.5Å; W414-L618 HydrophobicContact CH2-CG 4.13Å; W414-L618 HydrophobicContact CZ2-CB 4.32Å; W414-L618 HydrophobicContact CZ2-CD1 3.54Å; W414-L618 HydrophobicContact CZ3-CB 4.21Å; W414-L618 HydrophobicContact CZ3-CD1 3.69Å; W414-L618 HydrophobicContact CZ3-CD2 4.32Å; W414-L618 HydrophobicContact CZ3-CG 4.29Å
415	Y	95.9	Very high	93.7	Very high	11 Å²	11	38.7 Å²	38.7	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.7	171.8	76.6	-85.8	0	0	0	113.3	Y408 F409 P430 V431 L433 G436 W437	Y408-Y415 AromaticContact CD1-CD2 3.63Å; Y408-Y415 HydrophobicContact CD1-CD2 3.63Å; Y408-Y415 AromaticContact CD1-CE2 3.95Å; Y408-Y415 HydrophobicContact CD1-CE2 3.95Å; Y408-Y415 AromaticContact CE1-CD2 3.95Å; Y408-Y415 HydrophobicContact CE1-CD2 3.95Å; Y408-Y415 AromaticContact CE1-CE2 3.76Å; Y408-Y415 HydrophobicContact CE1-CE2 3.76Å; F409-Y415 CarbonylContact O-C 3.54Å; F409-Y415 WeakPolarHBondContact O-CA 3.33Å; F409-Y415 WeakPolarHBondContact O-CB 3.37Å; Y415-P430 WeakPolarHBondContact O-CA 3.48Å; Y415-V431 HydrophobicContact CD1-CB 4.39Å; Y415-V431 WeakPolarHBondContact CD1-O 3.47Å; Y415-V431 HydrophobicContact CE1-CB 3.81Å; Y415-V431 HydrophobicContact CE1-CG1 3.73Å; Y415-V431 HydrophobicContact CE2-CB 4.47Å; Y415-V431 PolarHBondContact N-O 2.77Å; Y415-V431 PolarHBondContact O-N 3.18Å; Y415-L433 HydrophobicContact CD1-CD2 3.86Å; Y415-L433 HydrophobicContact CG-CD2 4.23Å; Y415-G436 WeakPolarHBondContact OH-CA 3.33Å; Y415-W437 AromaticContact CD1-CD1 3.91Å; Y415-W437 AromaticContact CE1-CD1 3.97Å
416	W	97.1	Very high	93.8	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.011	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.8	169.8	-59.3	-105.2	0	0	0	108.7	Y408 F409 R411 W414 T425 D429 P430 I610 C611	Y408-W416 WeakPolarHBondContact CA-O 3.35Å; F409-W416 HydrophobicContact CB-CB 4.48Å; F409-W416 HydrophobicContact CB-CE3 4.48Å; F409-W416 PolarHBondContact N-O 2.9Å; F409-W416 PolarHBondContact O-N 3.46Å; R411-W416 HydrophobicContact CB-CH2 3.84Å; R411-W416 HydrophobicContact CB-CZ3 3.51Å; W414-W416 HydrophobicContact CB-CH2 4.36Å; W414-W416 HydrophobicContact CB-CZ3 4.39Å; W416-T425 HydrophobicContact CB-CG2 3.88Å; W416-T425 HydrophobicContact CG-CG2 4.27Å; W416-D429 WeakPolarHBondContact CA-OD2 3.37Å; W416-D429 HydrophobicContact CB-CB 4.31Å; W416-D429 HydrophobicContact CG-CB 4.2Å; W416-P430 HydrophobicContact CD2-CB 4.05Å; W416-P430 HydrophobicContact CH2-CB 4.2Å; W416-P430 HydrophobicContact CZ2-CB 3.64Å; W416-P430 HydrophobicContact CZ2-CG 3.8Å; W416-I610 HydrophobicContact CB-CG2 4.12Å; W416-I610 HydrophobicContact CD2-CG2 3.65Å; W416-I610 HydrophobicContact CE3-CG2 4.03Å; W416-I610 HydrophobicContact CG-CG2 3.72Å; W416-C611 VanDerWaalsContact CZ2-O 3.24Å; W416-C611 WeakPolarHBondContact CZ2-O 3.39Å; W416-C611 PolarHBondContact NE1-O 3Å
417	L	96.6	Very high	93.5	Very high	12 Å²	12	40 Å²	40	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	107.1	170.5	-173.1	168.3	0	0	0	107.9	N406 Y408 E419 R426 D429	N406-L417 HydrophobicContact CB-CD2 3.77Å; N406-L417 HydrophobicContact CB-CG 4.22Å; Y408-L417 HydrophobicContact CD1-CB 4.48Å; Y408-L417 HydrophobicContact CE1-CB 4.11Å; Y408-L417 HydrophobicContact CE1-CD1 4.04Å; Y408-L417 HydrophobicContact CE1-CG 4.05Å; Y408-L417 HydrophobicContact CE2-CD1 4.46Å; Y408-L417 HydrophobicContact CE2-CG 4.22Å; Y408-L417 WeakPolarHBondContact OH-CD1 3.39Å; L417-E419 HydrophobicContact CD2-CG 3.63Å; L417-R426 HydrophobicContact CB-CB 4.25Å; L417-R426 HydrophobicContact CD2-CB 4.3Å; L417-R426 WeakPolarHBondContact O-CB 3.47Å; L417-R426 PolarHBondContact O-N 3.28Å; L417-D429 PolarHBondContact N-OD2 3.31Å
418	Y	96.6	Very high	93.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115	173.1	-165	-96.6	0	0	0	110.9	N406 T407 F409 N420 N423 W607 F608 I610	N406-Y418 WeakPolarHBondContact CB-O 3.45Å; T407-Y418 PolarHBondContact N-O 2.63Å; T407-Y418 VanDerWaalsContact N-O 3.16Å; T407-Y418 WeakPolarHBondContact O-CA 3.3Å; T407-Y418 WeakPolarHBondContact O-CB 3.29Å; T407-Y418 PolarHBondContact O-N 3.46Å; F409-Y418 HydrophobicContact CE2-CG 4.25Å; Y418-N420 PolarHBondContact O-N 2.74Å; Y418-N423 VanDerWaalsContact OH-C 3.24Å; Y418-N423 PolarHBondContact OH-O 3.17Å; Y418-N423 PolarHBondContact OH-OD1 3.36Å; Y418-W607 AromaticContact CD1-CD1 3.62Å; Y418-W607 HydrophobicContact CD2-CB 4.28Å; Y418-W607 AromaticContact CE1-CD1 3.58Å; Y418-W607 HydrophobicContact CE1-CG 4.5Å; Y418-W607 HydrophobicContact CE2-CB 4Å; Y418-W607 AromaticContact CG-CD1 3.98Å; Y418-W607 AromaticContact CZ-CD1 3.92Å; Y418-F608 WeakPolarHBondContact CE2-O 3.25Å; Y418-F608 PolarHBondContact OH-N 3.08Å; Y418-I610 HydrophobicContact CD2-CD1 4.35Å; Y418-I610 HydrophobicContact CD2-CG1 4.46Å
419	E	94.6	Very high	93	Very high	43 Å²	43	41.1 Å²	41.1	20%	0.201	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	88.5	179.2	-62.9	-169.6	125.8	0	0	110	L417 R421 N422 N423 R424 R426	L417-E419 HydrophobicContact CD2-CG 3.63Å; E419-R421 PolarHBondContact O-N 3.44Å; E419-N422 HydrophobicContact CB-CB 4.14Å; E419-N422 CarbonylContact O-C 3.59Å; E419-N422 PolarHBondContact O-N 3.02Å; E419-N422 PolarHBondContact OE2-ND2 2.68Å; E419-N423 PolarHBondContact O-N 3.15Å; E419-R424 WeakPolarHBondContact CB-O 3.45Å; E419-R424 PolarHBondContact N-O 2.74Å; E419-R424 IonicContact OE2-CZ 2.87Å; E419-R424 IonicContact OE2-NE 3.97Å; E419-R424 IonicContact OE2-NH1 3.41Å; E419-R424 PolarHBondContact OE2-NH1 2.74Å; E419-R424 IonicContact OE2-NH2 3.46Å; E419-R424 PolarHBondContact OE2-NH2 3.41Å; E419-R426 HydrophobicContact CG-CB 4.44Å
420	N	93.1	Very high	92.9	Very high	27 Å²	27	41.3 Å²	41.3	14%	0.144	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-32.8	-175.3	-77.3	-51	0	0	0	114.5	N406 T407 Y418 S565	N406-N420 PolarHBondContact OD1-N 2.63Å; T407-N420 PolarHBondContact N-ND2 3.1Å; T407-N420 PolarHBondContact OG1-ND2 3.39Å; T407-N420 PolarHBondContact OG1-OD1 2.85Å; Y418-N420 PolarHBondContact O-N 2.74Å; N420-S565 PolarHBondContact OD1-OG 3.22Å
421	R	90.4	Very high	92.7	Very high	184 Å²	184	42.4 Å²	42.4	69%	0.694	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-36	179.3	-67.5	-173.9	-179.7	-171.8	1.2	113.4	E419	E419-R421 PolarHBondContact O-N 3.44Å
422	N	89.7	Confident	92.8	Very high	88 Å²	88	42.8 Å²	42.8	47%	0.471	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.9	-177.8	-61.1	-13.9	0	0	0	111.5	E419 R424	E419-N422 HydrophobicContact CB-CB 4.14Å; E419-N422 CarbonylContact O-C 3.59Å; E419-N422 PolarHBondContact O-N 3.02Å; E419-N422 PolarHBondContact OE2-ND2 2.68Å; N422-R424 VanDerWaalsContact C-N 3.28Å; N422-R424 HydrophobicContact CB-CG 3.75Å; N422-R424 PolarHBondContact O-N 3.2Å
423	N	90.1	Very high	93.1	Very high	65 Å²	65	37.7 Å²	37.7	35%	0.348	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	43.8	179.6	-159.5	33.9	0	0	0	112.7	Y418 E419 F608	Y418-N423 VanDerWaalsContact OH-C 3.24Å; Y418-N423 PolarHBondContact OH-O 3.17Å; Y418-N423 PolarHBondContact OH-OD1 3.36Å; E419-N423 PolarHBondContact O-N 3.15Å; N423-F608 WeakPolarHBondContact ND2-CE2 3.42Å
424	R	89.8	Confident	93.1	Very high	33 Å²	33	40.5 Å²	40.5	13%	0.125	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	158.2	-179.5	60.3	164.8	-177.9	72.8	1.2	110.9	E419 N422 Y427	E419-R424 WeakPolarHBondContact CB-O 3.45Å; E419-R424 PolarHBondContact N-O 2.74Å; E419-R424 IonicContact OE2-CZ 2.87Å; E419-R424 IonicContact OE2-NE 3.97Å; E419-R424 IonicContact OE2-NH1 3.41Å; E419-R424 PolarHBondContact OE2-NH1 2.74Å; E419-R424 IonicContact OE2-NH2 3.46Å; E419-R424 PolarHBondContact OE2-NH2 3.41Å; N422-R424 VanDerWaalsContact C-N 3.28Å; N422-R424 HydrophobicContact CB-CG 3.75Å; N422-R424 PolarHBondContact O-N 3.2Å; R424-Y427 PolarHBondContact NE-OH 3.21Å
425	T	93.3	Very high	92.9	Very high	5 Å²	5	42 Å²	42	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	148.7	164.9	-54.5	0	0	0	0	111.1	W416 D429 F608 D609	W416-T425 HydrophobicContact CB-CG2 3.88Å; W416-T425 HydrophobicContact CG-CG2 4.27Å; T425-D429 HydrophobicContact CG2-CB 3.75Å; T425-F608 PolarHBondContact OG1-O 3.14Å; T425-D609 WeakPolarHBondContact CB-O 3.36Å; T425-D609 VanDerWaalsContact OG1-C 3.3Å; T425-D609 PolarHBondContact OG1-O 3.41Å
426	R	92.8	Very high	92.5	Very high	79 Å²	79	42.1 Å²	42.1	30%	0.298	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-63.3	140	171.6	179	-176.9	65.8	164.3	2.8	110.1	L417 E419 D429	L417-R426 HydrophobicContact CB-CB 4.25Å; L417-R426 HydrophobicContact CD2-CB 4.3Å; L417-R426 WeakPolarHBondContact O-CB 3.47Å; L417-R426 PolarHBondContact O-N 3.28Å; E419-R426 HydrophobicContact CG-CB 4.44Å; R426-D429 IonicContact CZ-OD1 2.83Å; R426-D429 VanDerWaalsContact CZ-OD1 3.25Å; R426-D429 IonicContact NE-OD1 2.66Å; R426-D429 PolarHBondContact NE-OD1 3.47Å; R426-D429 IonicContact NE-OD2 3.02Å; R426-D429 IonicContact NH2-OD1 2.84Å; R426-D429 PolarHBondContact NH2-OD1 3.13Å; R426-D429 WeakPolarHBondContact O-CB 3.14Å; R426-D429 PolarHBondContact O-N 3.15Å
427	Y	88.9	Confident	92.4	Very high	60 Å²	60	42 Å²	42	24%	0.235	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	144.5	175.7	-55.6	-78.5	0	0	0	111.9	E363 M364 R424 D429	E363-Y427 HydrophobicContact CB-CD1 4.2Å; E363-Y427 HydrophobicContact CB-CD2 4.18Å; E363-Y427 HydrophobicContact CB-CE1 3.77Å; E363-Y427 HydrophobicContact CB-CE2 3.76Å; E363-Y427 HydrophobicContact CB-CG 4.36Å; E363-Y427 HydrophobicContact CG-CD1 4.26Å; E363-Y427 HydrophobicContact CG-CD2 3.56Å; E363-Y427 HydrophobicContact CG-CE1 4.22Å; E363-Y427 HydrophobicContact CG-CE2 3.52Å; E363-Y427 HydrophobicContact CG-CG 3.92Å; E363-Y427 WeakPolarHBondContact OE1-CD2 3.36Å; E363-Y427 WeakPolarHBondContact OE1-CE2 3.4Å; E363-Y427 WeakPolarHBondContact OE2-CE2 3.39Å; E363-Y427 PolarHBondContact OE2-OH 2.92Å; M364-Y427 PolarHBondContact O-OH 3.48Å; R424-Y427 PolarHBondContact NE-OH 3.21Å; Y427-D429 VanDerWaalsContact C-N 3.3Å
428	G	89.8	Confident	92.3	Very high	28 Å²	28	45.5 Å²	45.5	29%	0.289	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	5.4	-176.3	0	0	0	0	0	113.8	R253 E257	R253-G428 PolarHBondContact NH2-O 3.16Å; E257-G428 WeakPolarHBondContact OE1-CA 3.4Å; E257-G428 WeakPolarHBondContact OE2-CA 3.41Å; E257-G428 PolarHBondContact OE2-N 3.16Å
429	D	93.8	Very high	92.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.011	24%	0.244	C	C	.	.			trans	-87.4	146.8	171	-72.6	-6.8	0	0	0	110.5	E257 W416 L417 T425 R426 Y427 V431	E257-D429 WeakPolarHBondContact CG-O 3.42Å; W416-D429 WeakPolarHBondContact CA-OD2 3.37Å; W416-D429 HydrophobicContact CB-CB 4.31Å; W416-D429 HydrophobicContact CG-CB 4.2Å; L417-D429 PolarHBondContact N-OD2 3.31Å; T425-D429 HydrophobicContact CG2-CB 3.75Å; R426-D429 IonicContact CZ-OD1 2.83Å; R426-D429 VanDerWaalsContact CZ-OD1 3.25Å; R426-D429 IonicContact NE-OD1 2.66Å; R426-D429 PolarHBondContact NE-OD1 3.47Å; R426-D429 IonicContact NE-OD2 3.02Å; R426-D429 IonicContact NH2-OD1 2.84Å; R426-D429 PolarHBondContact NH2-OD1 3.13Å; R426-D429 WeakPolarHBondContact O-CB 3.14Å; R426-D429 PolarHBondContact O-N 3.15Å; Y427-D429 VanDerWaalsContact C-N 3.3Å; D429-V431 WeakPolarHBondContact OD1-CG2 2.84Å
430	P	95	Very high	92.2	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.019	24%	0.236	C	C	.	.			cis	-75.9	153.1	10.6	24.2	-27.9	0	0	0	114.8	R253 W414 Y415 W416 V613 L618	R253-P430 PolarHBondContact NH2-O 2.71Å; W414-P430 HydrophobicContact CB-CB 4Å; W414-P430 HydrophobicContact CE3-CB 4.14Å; W414-P430 HydrophobicContact CG-CB 4.48Å; Y415-P430 WeakPolarHBondContact O-CA 3.48Å; W416-P430 HydrophobicContact CD2-CB 4.05Å; W416-P430 HydrophobicContact CH2-CB 4.2Å; W416-P430 HydrophobicContact CZ2-CB 3.64Å; W416-P430 HydrophobicContact CZ2-CG 3.8Å; P430-V613 VanDerWaalsContact CD-CG2 3.42Å; P430-V613 HydrophobicContact CG-CB 4.09Å; P430-V613 HydrophobicContact CG-CG2 4.17Å; P430-L618 HydrophobicContact CG-CD1 4.27Å; P430-L618 HydrophobicContact CG-CD2 4.16Å
431	V	94.1	Very high	92.3	Very high	23 Å²	23	45.4 Å²	45.4	14%	0.139	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.2	172.9	175.5	0	0	0	0	110	W414 Y415 D429 L433 I435	W414-V431 WeakPolarHBondContact CA-O 3.48Å; Y415-V431 HydrophobicContact CD1-CB 4.39Å; Y415-V431 WeakPolarHBondContact CD1-O 3.47Å; Y415-V431 HydrophobicContact CE1-CB 3.81Å; Y415-V431 HydrophobicContact CE1-CG1 3.73Å; Y415-V431 HydrophobicContact CE2-CB 4.47Å; Y415-V431 PolarHBondContact N-O 2.77Å; Y415-V431 PolarHBondContact O-N 3.18Å; D429-V431 WeakPolarHBondContact OD1-CG2 2.84Å; V431-L433 PolarHBondContact O-N 2.71Å; V431-I435 HydrophobicContact CG1-CB 3.78Å; V431-I435 HydrophobicContact CG1-CD1 3.99Å; V431-I435 HydrophobicContact CG1-CG1 4.44Å; V431-I435 HydrophobicContact CG1-CG2 3.87Å
432	A	93.4	Very high	92.4	Very high	25 Å²	25	40.5 Å²	40.5	21%	0.207	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	136.8	179	0	0	0	0	0	110.2	W414 Q434 I435	W414-A432 HydrophobicContact CE3-CB 4.07Å; W414-A432 VanDerWaalsContact CE3-N 3.25Å; W414-A432 HydrophobicContact CH2-CB 4.16Å; W414-A432 HydrophobicContact CZ3-CB 3.75Å; A432-Q434 PolarHBondContact O-N 2.87Å; A432-Q434 VanDerWaalsContact O-N 3.12Å; A432-I435 HydrophobicContact CB-CD1 3.95Å; A432-I435 HydrophobicContact CB-CG1 4.22Å; A432-I435 WeakPolarHBondContact O-CB 3.18Å; A432-I435 PolarHBondContact O-N 2.9Å
433	L	93.4	Very high	92.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-53.3	-39.6	-176.3	-77.1	174.4	0	0	0	113	M410 D412 G413 Y415 V431 I435 G436 W437 I440	M410-L433 HydrophobicContact CE-CD2 3.47Å; M410-L433 VanDerWaalsContact CE-CD2 3.47Å; M410-L433 HydrophobicContact CG-CD2 3.88Å; M410-L433 HydrophobicContact SD-CD2 3.57Å; M410-L433 VanDerWaalsContact SD-CD2 3.57Å; D412-L433 VanDerWaalsContact O-CD1 3.24Å; D412-L433 WeakPolarHBondContact O-CD1 3.13Å; G413-L433 WeakPolarHBondContact O-CG 3.09Å; G413-L433 PolarHBondContact O-N 3.01Å; Y415-L433 HydrophobicContact CD1-CD2 3.86Å; Y415-L433 HydrophobicContact CG-CD2 4.23Å; V431-L433 PolarHBondContact O-N 2.71Å; L433-I435 PolarHBondContact O-N 2.78Å; L433-G436 PolarHBondContact O-N 3.2Å; L433-W437 WeakPolarHBondContact O-CA 3.01Å; L433-W437 WeakPolarHBondContact O-CB 3.39Å; L433-W437 PolarHBondContact O-N 2.87Å; L433-I440 HydrophobicContact CD2-CD1 4.34Å
434	Q	91.2	Very high	92.7	Very high	74 Å²	74	37.5 Å²	37.5	35%	0.346	21%	0.213	S	C	.	.	H	α-helix	trans	-67.2	-17	-178	-62.4	-57.2	-59.3	0	0	114.4	A432 H438 I440	A432-Q434 PolarHBondContact O-N 2.87Å; A432-Q434 VanDerWaalsContact O-N 3.12Å; Q434-H438 PolarHBondContact O-CD2 2.77Å; Q434-I440 PolarHBondContact NE2-O 3Å
435	I	91.4	Very high	93	Very high	115 Å²	115	35.9 Å²	35.9	59%	0.59	21%	0.207	S	C	*	.	H	α-helix	trans	-78.6	-36.1	176.5	-62.5	171.7	0	0	0	110.7	V431 A432 L433 H438	V431-I435 HydrophobicContact CG1-CB 3.78Å; V431-I435 HydrophobicContact CG1-CD1 3.99Å; V431-I435 HydrophobicContact CG1-CG1 4.44Å; V431-I435 HydrophobicContact CG1-CG2 3.87Å; A432-I435 HydrophobicContact CB-CD1 3.95Å; A432-I435 HydrophobicContact CB-CG1 4.22Å; A432-I435 WeakPolarHBondContact O-CB 3.18Å; A432-I435 PolarHBondContact O-N 2.9Å; L433-I435 PolarHBondContact O-N 2.78Å; I435-H438 PolarHBondContact O-CE1 2.93Å
436	G	88.3	Confident	93.2	Very high	12 Å²	12	37.3 Å²	37.3	12%	0.124	22%	0.215	C	C	.	.	H	α-helix	trans	-111	-9.5	-173.9	0	0	0	0	0	115.7	Y415 L433	Y415-G436 WeakPolarHBondContact OH-CA 3.33Å; L433-G436 PolarHBondContact O-N 3.2Å
437	W	93.6	Very high	93.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-143	85.2	-174.8	-62.4	96.8	0	0	0	110.4	F388 W390 Y408 M410 Y415 L433 G439 I440 F461 Y470	F388-W437 AromaticContact CE2-CH2 3.52Å; F388-W437 HydrophobicContact CE2-CH2 3.52Å; F388-W437 AromaticContact CE2-CZ2 3.64Å; F388-W437 HydrophobicContact CE2-CZ2 3.64Å; F388-W437 HydrophobicContact CE2-CZ3 4.38Å; F388-W437 AromaticContact CZ-CH2 3.74Å; F388-W437 HydrophobicContact CZ-CH2 3.74Å; F388-W437 AromaticContact CZ-CZ2 3.53Å; F388-W437 HydrophobicContact CZ-CZ2 3.53Å; F388-W437 HydrophobicContact CZ-CZ3 4.43Å; W390-W437 HydrophobicContact CB-CH2 4.06Å; W390-W437 AromaticContact CD2-CH2 3.47Å; W390-W437 HydrophobicContact CD2-CH2 3.47Å; W390-W437 VanDerWaalsContact CD2-CH2 3.47Å; W390-W437 HydrophobicContact CD2-CZ2 4.21Å; W390-W437 HydrophobicContact CD2-CZ3 4.23Å; W390-W437 AromaticContact CE3-CH2 3.44Å; W390-W437 HydrophobicContact CE3-CH2 3.44Å; W390-W437 VanDerWaalsContact CE3-CH2 3.44Å; W390-W437 AromaticContact CE3-CZ2 3.76Å; W390-W437 HydrophobicContact CE3-CZ2 3.76Å; W390-W437 HydrophobicContact CE3-CZ3 4.3Å; W390-W437 AromaticContact CG-CH2 3.65Å; W390-W437 HydrophobicContact CG-CH2 3.65Å; W390-W437 HydrophobicContact CG-CZ2 4.44Å; W390-W437 AromaticContact CZ3-CH2 3.92Å; W390-W437 HydrophobicContact CZ3-CH2 3.92Å; W390-W437 HydrophobicContact CZ3-CZ2 4.22Å; W390-W437 HydrophobicContact CZ3-CZ3 4.42Å; Y408-W437 AromaticContact CD1-CZ2 3.69Å; Y408-W437 HydrophobicContact CD1-CZ2 3.69Å; Y408-W437 AromaticContact CD1-NE1 3.78Å; Y408-W437 HydrophobicContact CD2-CZ2 4.31Å; Y408-W437 AromaticContact CE1-CZ2 3.77Å; Y408-W437 HydrophobicContact CE1-CZ2 3.77Å; Y408-W437 AromaticContact CE1-NE1 3.99Å; Y408-W437 HydrophobicContact CE2-CZ2 4.43Å; Y408-W437 AromaticContact CG-CZ2 3.96Å; Y408-W437 HydrophobicContact CG-CZ2 3.96Å; M410-W437 HydrophobicContact CE-CD2 4.03Å; M410-W437 HydrophobicContact CE-CG 3.93Å; M410-W437 HydrophobicContact CE-CZ2 4.4Å; Y415-W437 AromaticContact CD1-CD1 3.91Å; Y415-W437 AromaticContact CE1-CD1 3.97Å; L433-W437 WeakPolarHBondContact O-CA 3.01Å; L433-W437 WeakPolarHBondContact O-CB 3.39Å; L433-W437 PolarHBondContact O-N 2.87Å; W437-G439 PolarHBondContact O-N 3.38Å; W437-I440 HydrophobicContact CB-CD1 3.48Å; W437-I440 VanDerWaalsContact CB-CD1 3.48Å; W437-I440 HydrophobicContact CB-CG1 3.83Å; W437-I440 HydrophobicContact CG-CD1 4.13Å; W437-I440 WeakPolarHBondContact O-CG1 3.41Å; W437-F461 HydrophobicContact CD2-CZ 4.18Å; W437-F461 AromaticContact CE3-CE2 3.92Å; W437-F461 HydrophobicContact CE3-CE2 3.92Å; W437-F461 AromaticContact CE3-CZ 3.56Å; W437-F461 HydrophobicContact CE3-CZ 3.56Å; W437-F461 HydrophobicContact CH2-CZ 4.34Å; W437-F461 HydrophobicContact CZ3-CE2 4.05Å; W437-F461 AromaticContact CZ3-CZ 3.66Å; W437-F461 HydrophobicContact CZ3-CZ 3.66Å; W437-Y470 WeakPolarHBondContact CA-OH 3.42Å; W437-Y470 HydrophobicContact CE3-CD1 4.32Å; W437-Y470 AromaticContact CE3-CE1 3.68Å; W437-Y470 HydrophobicContact CE3-CE1 3.68Å; W437-Y470 HydrophobicContact CE3-CE2 4.17Å; W437-Y470 AromaticContact CE3-CZ 3.6Å; W437-Y470 HydrophobicContact CZ3-CD1 4.14Å; W437-Y470 AromaticContact CZ3-CE1 3.73Å; W437-Y470 HydrophobicContact CZ3-CE1 3.73Å
438	H	94.8	Very high	93.9	Very high	87 Å²	87	31.4 Å²	31.4	40%	0.403	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-75.8	126.4	-168.7	-57.6	86	0	0	0	112.8	Q434 I435 Y470 D475 R476 V477	Q434-H438 PolarHBondContact O-CD2 2.77Å; I435-H438 PolarHBondContact O-CE1 2.93Å; H438-Y470 PolarHBondContact N-OH 2.69Å; H438-D475 VanDerWaalsContact CB-O 3.3Å; H438-D475 WeakPolarHBondContact CB-O 3.47Å; H438-D475 IonicContact CE1-OD2 3.55Å; H438-D475 PolarHBondContact CE1-OD2 2.91Å; H438-D475 PolarHBondContact ND1-O 3.47Å; H438-D475 VanDerWaalsContact ND1-O 3.11Å; H438-D475 IonicContact ND1-OD2 2.75Å; H438-D475 PolarHBondContact ND1-OD2 3.3Å; H438-R476 HydrophobicContact CB-CB 4.27Å; H438-R476 CarbonylContact O-C 3.58Å; H438-R476 WeakPolarHBondContact O-CA 3.4Å; H438-V477 PolarHBondContact O-N 2.92Å
439	G	93.5	Very high	94.2	Very high	44 Å²	44	30.1 Å²	30.1	45%	0.454	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	0.7	171.2	0	0	0	0	0	115.8	W437 V477	W437-G439 PolarHBondContact O-N 3.38Å; G439-V477 VanDerWaalsContact C-CG2 3.45Å; G439-V477 WeakPolarHBondContact O-CG2 3.34Å
440	I	95.1	Very high	94.3	Very high	6 Å²	6	31 Å²	31	3%	0.031	18%	0.183	C	C	.	.	S	Bend	trans	-76.4	164.7	163	68.5	168.2	0	0	0	109.8	M410 L433 Q434 W437 V445 F461 Y470 V477	M410-I440 HydrophobicContact CE-CD1 4.45Å; L433-I440 HydrophobicContact CD2-CD1 4.34Å; Q434-I440 PolarHBondContact NE2-O 3Å; W437-I440 HydrophobicContact CB-CD1 3.48Å; W437-I440 VanDerWaalsContact CB-CD1 3.48Å; W437-I440 HydrophobicContact CB-CG1 3.83Å; W437-I440 HydrophobicContact CG-CD1 4.13Å; W437-I440 WeakPolarHBondContact O-CG1 3.41Å; I440-V445 HydrophobicContact CB-CG1 4.43Å; I440-V445 HydrophobicContact CD1-CG1 4.21Å; I440-F461 HydrophobicContact CG2-CB 4.31Å; I440-F461 HydrophobicContact CG2-CD2 3.7Å; I440-F461 HydrophobicContact CG2-CE2 4.12Å; I440-F461 HydrophobicContact CG2-CG 4Å; I440-Y470 HydrophobicContact CG2-CD2 4.03Å; I440-Y470 HydrophobicContact CG2-CE2 4.11Å; I440-V477 HydrophobicContact CG2-CG2 3.8Å
441	P	95.4	Very high	94.2	Very high	19 Å²	19	31 Å²	31	12%	0.123	18%	0.182	C	C	.	.			trans	-55.9	139.4	175.6	-26	35.8	0	0	0	113	D443 K463 W468	P441-D443 VanDerWaalsContact C-N 3.33Å; P441-D443 WeakPolarHBondContact CB-OD1 3.33Å; P441-K463 HydrophobicContact CB-CG 4.34Å; P441-K463 HydrophobicContact CG-CB 3.94Å; P441-K463 HydrophobicContact CG-CG 4.06Å; P441-W468 HydrophobicContact CG-CD2 4.44Å; P441-W468 HydrophobicContact CG-CE3 4.34Å; P441-W468 HydrophobicContact CG-CH2 3.48Å; P441-W468 VanDerWaalsContact CG-CH2 3.48Å; P441-W468 HydrophobicContact CG-CZ2 3.49Å; P441-W468 VanDerWaalsContact CG-CZ2 3.49Å; P441-W468 HydrophobicContact CG-CZ3 3.92Å
442	S	93.9	Very high	93.9	Very high	81 Å²	81	32.2 Å²	32.2	57%	0.566	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.7	-175.5	58.5	0	0	0	0	114.3	G413	G413-S442 WeakPolarHBondContact CA-O 3.48Å
443	D	92.6	Very high	93.4	Very high	90 Å²	90	32.9 Å²	32.9	48%	0.481	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	11	178.4	68.5	-49.1	0	0	0	112.8	D412 P441 K463	D412-D443 CarbonylContact C-O 3.57Å; D412-D443 CarbonylContact O-C 3.59Å; P441-D443 VanDerWaalsContact C-N 3.33Å; P441-D443 WeakPolarHBondContact CB-OD1 3.33Å; D443-K463 VanDerWaalsContact OD2-CE 3.23Å; D443-K463 WeakPolarHBondContact OD2-CE 3.32Å; D443-K463 IonicContact OD2-NZ 3.71Å; D443-K463 PolarHBondContact OD2-NZ 3.05Å
444	G	93.4	Very high	92.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.			trans	102	177.9	177	0	0	0	0	0	115	D412 K463	D412-G444 WeakPolarHBondContact O-CA 3.3Å; D412-G444 PolarHBondContact O-N 3.04Å; G444-K463 VanDerWaalsContact O-CD 3.3Å; G444-K463 WeakPolarHBondContact O-CD 3.42Å; G444-K463 VanDerWaalsContact O-CE 3.31Å; G444-K463 WeakPolarHBondContact O-CE 3.47Å; G444-K463 PolarHBondContact O-NZ 2.89Å
445	V	96.3	Very high	92.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.			trans	-132.2	151.4	-176.2	-67	0	0	0	0	109.5	S385 T386 M410 I440 F461 F462	S385-V445 CarbonylContact C-O 3.57Å; S385-V445 WeakPolarHBondContact CB-O 3.38Å; S385-V445 PolarHBondContact OG-O 3.02Å; S385-V445 VanDerWaalsContact OG-O 3.13Å; T386-V445 HydrophobicContact CG2-CG2 3.42Å; T386-V445 VanDerWaalsContact CG2-CG2 3.42Å; M410-V445 HydrophobicContact SD-CG2 3.64Å; I440-V445 HydrophobicContact CB-CG1 4.43Å; I440-V445 HydrophobicContact CD1-CG1 4.21Å; V445-F461 HydrophobicContact CB-CD1 4.3Å; V445-F461 HydrophobicContact CG1-CB 4.17Å; V445-F461 HydrophobicContact CG1-CD1 4.12Å; V445-F461 HydrophobicContact CG1-CG 4.5Å; V445-F461 HydrophobicContact CG2-CD1 3.89Å; V445-F461 HydrophobicContact CG2-CE1 4.35Å; V445-F462 CarbonylContact C-O 3.58Å; V445-F462 WeakPolarHBondContact CB-O 3.35Å
446	D	96.9	Very high	91.8	Very high	35 Å²	35	52.7 Å²	52.7	19%	0.187	25%	0.252	C	S	.	.	S	Bend	trans	-89.1	-26.4	-177.9	-53.1	-28.2	0	0	0	111.6	F462 K463 G464 D503	D446-F462 PolarHBondContact N-O 2.67Å; D446-K463 WeakPolarHBondContact OD1-CD 3.23Å; D446-K463 IonicContact OD1-NZ 2.98Å; D446-K463 VanDerWaalsContact OD2-CA 3.29Å; D446-K463 WeakPolarHBondContact OD2-CA 3.36Å; D446-G464 PolarHBondContact OD2-N 3.47Å; D446-D503 VanDerWaalsContact O-O 3.09Å
447	A	97.8	Very high	91.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	155.2	176.6	0	0	0	0	0	113	F461 F462 I502 A505	A447-F461 WeakPolarHBondContact O-CA 3.38Å; A447-F462 HydrophobicContact CB-CB 4.13Å; A447-F462 HydrophobicContact CB-CD2 4.05Å; A447-F462 HydrophobicContact CB-CG 4.4Å; A447-F462 PolarHBondContact N-O 2.93Å; A447-F462 PolarHBondContact O-N 2.84Å; A447-I502 HydrophobicContact CB-CD1 3.95Å; A447-A505 HydrophobicContact CB-CB 4.03Å
448	Y	97.4	Very high	91.8	Very high	15 Å²	15	57 Å²	57	6%	0.059	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.1	168.2	170.1	-88.1	0	0	0	110.4	T386 F388 H450 V459 Y460 F461	T386-Y448 PolarHBondContact OG1-N 2.97Å; F388-Y448 HydrophobicContact CB-CD1 3.15Å; F388-Y448 HydrophobicContact CB-CE1 3.65Å; F388-Y448 HydrophobicContact CB-CG 3.69Å; F388-Y448 HydrophobicContact CD1-CD1 4.08Å; F388-Y448 HydrophobicContact CD1-CD2 4.15Å; F388-Y448 AromaticContact CD1-CG 3.68Å; F388-Y448 HydrophobicContact CD1-CG 3.68Å; F388-Y448 AromaticContact CD2-CD1 3.57Å; F388-Y448 HydrophobicContact CD2-CD1 3.57Å; F388-Y448 AromaticContact CD2-CD2 3.76Å; F388-Y448 HydrophobicContact CD2-CD2 3.76Å; F388-Y448 AromaticContact CD2-CE1 3.49Å; F388-Y448 HydrophobicContact CD2-CE1 3.49Å; F388-Y448 VanDerWaalsContact CD2-CE1 3.49Å; F388-Y448 AromaticContact CD2-CE2 3.66Å; F388-Y448 HydrophobicContact CD2-CE2 3.66Å; F388-Y448 AromaticContact CD2-CG 3.67Å; F388-Y448 HydrophobicContact CD2-CG 3.67Å; F388-Y448 AromaticContact CD2-CZ 3.52Å; F388-Y448 HydrophobicContact CE1-CD2 4.19Å; F388-Y448 HydrophobicContact CE1-CG 4.16Å; F388-Y448 HydrophobicContact CE2-CD1 4.43Å; F388-Y448 AromaticContact CE2-CD2 3.79Å; F388-Y448 HydrophobicContact CE2-CD2 3.79Å; F388-Y448 HydrophobicContact CE2-CE1 4.33Å; F388-Y448 AromaticContact CE2-CE2 3.64Å; F388-Y448 HydrophobicContact CE2-CE2 3.64Å; F388-Y448 HydrophobicContact CE2-CG 4.14Å; F388-Y448 AromaticContact CE2-CZ 3.92Å; F388-Y448 AromaticContact CG-CD1 3.35Å; F388-Y448 HydrophobicContact CG-CD1 3.35Å; F388-Y448 AromaticContact CG-CD2 3.93Å; F388-Y448 HydrophobicContact CG-CD2 3.93Å; F388-Y448 AromaticContact CG-CE1 3.77Å; F388-Y448 HydrophobicContact CG-CE1 3.77Å; F388-Y448 HydrophobicContact CG-CE2 4.28Å; F388-Y448 AromaticContact CG-CG 3.4Å; F388-Y448 HydrophobicContact CG-CG 3.4Å; F388-Y448 HydrophobicContact CZ-CD2 4.01Å; F388-Y448 HydrophobicContact CZ-CE2 4.26Å; F388-Y448 HydrophobicContact CZ-CG 4.37Å; Y448-H450 HydrophobicContact CE1-CB 3.72Å; Y448-V459 HydrophobicContact CD2-CG1 4.04Å; Y448-V459 HydrophobicContact CE2-CG1 3.26Å; Y448-Y460 WeakPolarHBondContact CA-O 3.33Å; Y448-F461 AromaticContact CD2-CD1 3.96Å; Y448-F461 HydrophobicContact CD2-CD1 3.96Å; Y448-F461 AromaticContact CD2-CE1 3.47Å; Y448-F461 HydrophobicContact CD2-CE1 3.47Å; Y448-F461 VanDerWaalsContact CD2-CE1 3.47Å; Y448-F461 HydrophobicContact CD2-CE2 4.07Å; Y448-F461 HydrophobicContact CD2-CG 4.49Å; Y448-F461 AromaticContact CD2-CZ 3.52Å; Y448-F461 HydrophobicContact CD2-CZ 3.52Å; Y448-F461 HydrophobicContact CE2-CE1 4.28Å; Y448-F461 HydrophobicContact CE2-CE2 4.24Å; Y448-F461 AromaticContact CE2-CZ 3.87Å; Y448-F461 HydrophobicContact CE2-CZ 3.87Å; Y448-F461 HydrophobicContact CG-CE1 4.31Å
449	V	97.3	Very high	91.9	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121.1	175.6	-179.7	0	0	0	0	110.3	V451 V459 Y460 F462 A505 I514	V449-V451 HydrophobicContact CG1-CG2 4.03Å; V449-V459 WeakPolarHBondContact O-CA 3.26Å; V449-Y460 PolarHBondContact N-O 2.7Å; V449-Y460 PolarHBondContact O-N 2.82Å; V449-F462 HydrophobicContact CB-CE2 4.03Å; V449-F462 HydrophobicContact CG2-CD2 4.41Å; V449-F462 HydrophobicContact CG2-CE2 3.71Å; V449-A505 HydrophobicContact CG2-CB 3.62Å; V449-I514 HydrophobicContact CG1-CD1 4.04Å; V449-I514 HydrophobicContact CG1-CG1 3.98Å; V449-I514 HydrophobicContact CG1-CG2 3.99Å; V449-I514 HydrophobicContact CG2-CG2 3.99Å
450	H	95.1	Very high	92	Very high	21 Å²	21	51.4 Å²	51.4	10%	0.097	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	101.6	167.8	-175.4	-164.3	0	0	0	110.2	I391 Y448 W452 V459 Y507	I391-H450 WeakPolarHBondContact CD1-ND1 3.31Å; Y448-H450 HydrophobicContact CE1-CB 3.72Å; H450-W452 PolarHBondContact O-N 2.97Å; H450-V459 HydrophobicContact CB-CG2 4.43Å; H450-Y507 WeakPolarHBondContact O-CD1 3.49Å
451	V	94.2	Very high	92.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	104	171.2	178.9	0	0	0	0	107.9	V449 R456 E457 A458 Y460 Y507 I514 V527	V449-V451 HydrophobicContact CG1-CG2 4.03Å; V451-R456 HydrophobicContact CG1-CG 4.36Å; V451-E457 CarbonylContact O-C 3.59Å; V451-E457 VanDerWaalsContact O-CA 3.25Å; V451-E457 WeakPolarHBondContact O-CA 3.42Å; V451-A458 HydrophobicContact CB-CB 4.48Å; V451-A458 PolarHBondContact N-O 3.39Å; V451-A458 PolarHBondContact O-N 3.46Å; V451-Y460 HydrophobicContact CG2-CD2 4.29Å; V451-Y460 HydrophobicContact CG2-CE2 4.03Å; V451-Y507 HydrophobicContact CG1-CD2 4.48Å; V451-Y507 HydrophobicContact CG1-CE1 4.48Å; V451-Y507 HydrophobicContact CG1-CE2 4.12Å; V451-Y507 HydrophobicContact CG2-CD2 4.23Å; V451-Y507 HydrophobicContact CG2-CG 4.45Å; V451-I514 HydrophobicContact CG2-CD1 3.81Å; V451-I514 HydrophobicContact CG2-CG1 4.19Å; V451-V527 HydrophobicContact CG1-CG1 3.87Å; V451-V527 HydrophobicContact CG1-CG2 4.4Å; V451-V527 HydrophobicContact CG2-CG2 4.42Å
452	W	87.6	Confident	92.3	Very high	50 Å²	50	50.2 Å²	50.2	19%	0.189	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	101.5	178.5	-169.7	15.1	0	0	0	111.6	I391 I403 H450 Y564	I391-W452 HydrophobicContact CD1-CE3 3.43Å; I391-W452 VanDerWaalsContact CD1-CE3 3.43Å; I391-W452 HydrophobicContact CD1-CZ3 3.39Å; I391-W452 HydrophobicContact CG1-CZ3 4.45Å; I391-W452 HydrophobicContact CG2-CH2 4.07Å; I391-W452 HydrophobicContact CG2-CZ3 3.83Å; I403-W452 HydrophobicContact CD1-CH2 3.75Å; I403-W452 HydrophobicContact CD1-CZ2 3.99Å; I403-W452 HydrophobicContact CG2-CH2 4.23Å; H450-W452 PolarHBondContact O-N 2.97Å; W452-Y564 HydrophobicContact CE3-CE1 4.26Å; W452-Y564 AromaticContact CZ3-CE1 3.95Å; W452-Y564 HydrophobicContact CZ3-CE1 3.95Å
453	S	83	Confident	92.5	Very high	39 Å²	39	48.8 Å²	48.8	27%	0.273	21%	0.208	S	C	.	.			trans	-128.2	172.7	177.6	74.1	0	0	0	0	110.6	R455 R456	S453-R455 PolarHBondContact O-N 3.03Å; S453-R455 PolarHBondContact OG-N 3.19Å; S453-R456 PolarHBondContact N-O 3.19Å; S453-R456 PolarHBondContact OG-N 2.79Å; S453-R456 PolarHBondContact OG-O 3.47Å
454	R	76.6	Confident	92.7	Very high	263 Å²	263	45.7 Å²	45.7	99%	0.992	20%	0.198	S	C	*	.	S	Bend	trans	-63.7	-23.3	175.2	-69.6	-174	177.4	-176.8	-0.3	113.7
455	R	80.9	Confident	92.9	Very high	247 Å²	247	50.5 Å²	50.5	93%	0.932	22%	0.223	S	C	*	.	S	Bend	trans	-110.3	-17.5	-173.6	-66.6	-176.5	176.9	165.9	-1.2	113.8	S453	S453-R455 PolarHBondContact O-N 3.03Å; S453-R455 PolarHBondContact OG-N 3.19Å
456	R	84.1	Confident	92.9	Very high	96 Å²	96	54.2 Å²	54.2	36%	0.362	24%	0.24	S	C	.	.			trans	-147.8	128.3	-172.2	-172.2	173.3	179.3	174.9	-1.1	110.2	V451 S453 Y460	V451-R456 HydrophobicContact CG1-CG 4.36Å; S453-R456 PolarHBondContact N-O 3.19Å; S453-R456 PolarHBondContact OG-N 2.79Å; S453-R456 PolarHBondContact OG-O 3.47Å; R456-Y460 PolarHBondContact NH2-OH 3.03Å
457	E	89.8	Confident	93	Very high	96 Å²	96	52.7 Å²	52.7	45%	0.449	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.7	170	-171.2	170.4	-168.1	0	0	107.1	K393 V451	K393-E457 VanDerWaalsContact NZ-CD 3.32Å; K393-E457 IonicContact NZ-OE1 3.05Å; K393-E457 PolarHBondContact NZ-OE1 3.11Å; K393-E457 IonicContact NZ-OE2 2.73Å; K393-E457 PolarHBondContact NZ-OE2 2.85Å; V451-E457 CarbonylContact O-C 3.59Å; V451-E457 VanDerWaalsContact O-CA 3.25Å; V451-E457 WeakPolarHBondContact O-CA 3.42Å
458	A	92.6	Very high	93	Very high	6 Å²	6	53.9 Å²	53.9	5%	0.05	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	137.8	179	0	0	0	0	0	110.9	V451 Y460	V451-A458 HydrophobicContact CB-CB 4.48Å; V451-A458 PolarHBondContact N-O 3.39Å; V451-A458 PolarHBondContact O-N 3.46Å; A458-Y460 HydrophobicContact CB-CE2 3.66Å
459	V	95.4	Very high	92.9	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.3	177	177.8	0	0	0	0	109.3	Y448 V449 H450 F461 R469 Y470	Y448-V459 HydrophobicContact CD2-CG1 4.04Å; Y448-V459 HydrophobicContact CE2-CG1 3.26Å; V449-V459 WeakPolarHBondContact O-CA 3.26Å; H450-V459 HydrophobicContact CB-CG2 4.43Å; V459-F461 HydrophobicContact CG1-CE2 4.34Å; V459-R469 WeakPolarHBondContact O-CA 3.43Å; V459-Y470 PolarHBondContact O-N 3.29Å
460	Y	97.2	Very high	92.8	Very high	8 Å²	8	55.5 Å²	55.5	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.1	-179.7	-57.2	-71	0	0	0	111.2	Y448 V449 V451 R456 A458 F462 F467 W468 R469 F495	Y448-Y460 WeakPolarHBondContact CA-O 3.33Å; V449-Y460 PolarHBondContact N-O 2.7Å; V449-Y460 PolarHBondContact O-N 2.82Å; V451-Y460 HydrophobicContact CG2-CD2 4.29Å; V451-Y460 HydrophobicContact CG2-CE2 4.03Å; R456-Y460 PolarHBondContact NH2-OH 3.03Å; A458-Y460 HydrophobicContact CB-CE2 3.66Å; Y460-F462 HydrophobicContact CG-CZ 4.49Å; Y460-F467 AromaticContact CD1-CD2 3.77Å; Y460-F467 HydrophobicContact CD1-CD2 3.77Å; Y460-F467 AromaticContact CD1-CE2 3.82Å; Y460-F467 HydrophobicContact CD1-CE2 3.82Å; Y460-F467 HydrophobicContact CE1-CD2 4.37Å; Y460-F467 AromaticContact CE1-CE2 3.94Å; Y460-F467 HydrophobicContact CE1-CE2 3.94Å; Y460-W468 CarbonylContact C-O 3.56Å; Y460-W468 VanDerWaalsContact CA-O 3.27Å; Y460-W468 WeakPolarHBondContact CA-O 3.33Å; Y460-R469 HydrophobicContact CD1-CB 4.19Å; Y460-R469 HydrophobicContact CD1-CG 4.28Å; Y460-R469 HydrophobicContact CE1-CB 4.15Å; Y460-R469 HydrophobicContact CE1-CG 3.97Å; Y460-F495 HydrophobicContact CD2-CZ 4.23Å; Y460-F495 HydrophobicContact CE2-CZ 4.3Å; Y460-F495 HydrophobicContact CG-CZ 4.39Å
461	F	97.9	Very high	92.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.8	166.3	-73.6	-81.2	0	0	0	109.4	F388 M410 W437 I440 V445 A447 Y448 V459 F467 W468 Y470	F388-F461 AromaticContact CE1-CE1 3.98Å; F388-F461 HydrophobicContact CE1-CE1 3.98Å; F388-F461 HydrophobicContact CE2-CZ 4.5Å; F388-F461 AromaticContact CZ-CE1 3.86Å; F388-F461 HydrophobicContact CZ-CE1 3.86Å; F388-F461 AromaticContact CZ-CZ 3.95Å; F388-F461 HydrophobicContact CZ-CZ 3.95Å; M410-F461 HydrophobicContact CE-CE1 4.2Å; W437-F461 HydrophobicContact CD2-CZ 4.18Å; W437-F461 AromaticContact CE3-CE2 3.92Å; W437-F461 HydrophobicContact CE3-CE2 3.92Å; W437-F461 AromaticContact CE3-CZ 3.56Å; W437-F461 HydrophobicContact CE3-CZ 3.56Å; W437-F461 HydrophobicContact CH2-CZ 4.34Å; W437-F461 HydrophobicContact CZ3-CE2 4.05Å; W437-F461 AromaticContact CZ3-CZ 3.66Å; W437-F461 HydrophobicContact CZ3-CZ 3.66Å; I440-F461 HydrophobicContact CG2-CB 4.31Å; I440-F461 HydrophobicContact CG2-CD2 3.7Å; I440-F461 HydrophobicContact CG2-CE2 4.12Å; I440-F461 HydrophobicContact CG2-CG 4Å; V445-F461 HydrophobicContact CB-CD1 4.3Å; V445-F461 HydrophobicContact CG1-CB 4.17Å; V445-F461 HydrophobicContact CG1-CD1 4.12Å; V445-F461 HydrophobicContact CG1-CG 4.5Å; V445-F461 HydrophobicContact CG2-CD1 3.89Å; V445-F461 HydrophobicContact CG2-CE1 4.35Å; A447-F461 WeakPolarHBondContact O-CA 3.38Å; Y448-F461 AromaticContact CD2-CD1 3.96Å; Y448-F461 HydrophobicContact CD2-CD1 3.96Å; Y448-F461 AromaticContact CD2-CE1 3.47Å; Y448-F461 HydrophobicContact CD2-CE1 3.47Å; Y448-F461 VanDerWaalsContact CD2-CE1 3.47Å; Y448-F461 HydrophobicContact CD2-CE2 4.07Å; Y448-F461 HydrophobicContact CD2-CG 4.49Å; Y448-F461 AromaticContact CD2-CZ 3.52Å; Y448-F461 HydrophobicContact CD2-CZ 3.52Å; Y448-F461 HydrophobicContact CE2-CE1 4.28Å; Y448-F461 HydrophobicContact CE2-CE2 4.24Å; Y448-F461 AromaticContact CE2-CZ 3.87Å; Y448-F461 HydrophobicContact CE2-CZ 3.87Å; Y448-F461 HydrophobicContact CG-CE1 4.31Å; V459-F461 HydrophobicContact CG1-CE2 4.34Å; F461-F467 CarbonylContact O-C 3.53Å; F461-F467 WeakPolarHBondContact O-CA 3.33Å; F461-F467 WeakPolarHBondContact O-CB 3.4Å; F461-W468 HydrophobicContact CB-CB 4.43Å; F461-W468 PolarHBondContact N-O 2.9Å; F461-W468 PolarHBondContact O-N 2.98Å; F461-Y470 HydrophobicContact CD2-CD2 4Å; F461-Y470 HydrophobicContact CD2-CG 4.1Å; F461-Y470 HydrophobicContact CE2-CD1 4.23Å; F461-Y470 AromaticContact CE2-CD2 3.74Å; F461-Y470 HydrophobicContact CE2-CD2 3.74Å; F461-Y470 HydrophobicContact CE2-CE2 4.37Å; F461-Y470 AromaticContact CE2-CG 3.66Å; F461-Y470 HydrophobicContact CE2-CG 3.66Å
462	F	98.2	Very high	92.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.1	-177.7	-61.4	-99.1	0	0	0	110.5	V445 D446 A447 V449 Y460 F467 I491 F495 I502 F516	V445-F462 CarbonylContact C-O 3.58Å; V445-F462 WeakPolarHBondContact CB-O 3.35Å; D446-F462 PolarHBondContact N-O 2.67Å; A447-F462 HydrophobicContact CB-CB 4.13Å; A447-F462 HydrophobicContact CB-CD2 4.05Å; A447-F462 HydrophobicContact CB-CG 4.4Å; A447-F462 PolarHBondContact N-O 2.93Å; A447-F462 PolarHBondContact O-N 2.84Å; V449-F462 HydrophobicContact CB-CE2 4.03Å; V449-F462 HydrophobicContact CG2-CD2 4.41Å; V449-F462 HydrophobicContact CG2-CE2 3.71Å; Y460-F462 HydrophobicContact CG-CZ 4.49Å; F462-F467 HydrophobicContact CD1-CB 3.47Å; F462-F467 VanDerWaalsContact CD1-CB 3.47Å; F462-F467 HydrophobicContact CD1-CG 4.4Å; F462-F467 HydrophobicContact CE1-CB 3.65Å; F462-F467 HydrophobicContact CE1-CG 4.12Å; F462-F467 HydrophobicContact CG-CB 4.08Å; F462-F467 HydrophobicContact CZ-CB 4.39Å; F462-I491 HydrophobicContact CD1-CD1 3.86Å; F462-I491 HydrophobicContact CD1-CG1 3.9Å; F462-I491 HydrophobicContact CE1-CG1 4.36Å; F462-F495 AromaticContact CE1-CD2 3.92Å; F462-F495 HydrophobicContact CE1-CD2 3.92Å; F462-F495 AromaticContact CE1-CE2 3.54Å; F462-F495 HydrophobicContact CE1-CE2 3.54Å; F462-F495 HydrophobicContact CE1-CZ 4.21Å; F462-F495 HydrophobicContact CZ-CD2 4.37Å; F462-F495 AromaticContact CZ-CE2 3.64Å; F462-F495 HydrophobicContact CZ-CE2 3.64Å; F462-F495 AromaticContact CZ-CZ 3.84Å; F462-F495 HydrophobicContact CZ-CZ 3.84Å; F462-I502 HydrophobicContact CB-CD1 3.74Å; F462-I502 HydrophobicContact CB-CG1 4.32Å; F462-I502 HydrophobicContact CD1-CD1 3.83Å; F462-I502 HydrophobicContact CD2-CD1 4.35Å; F462-I502 HydrophobicContact CG-CD1 3.72Å; F462-F516 HydrophobicContact CD1-CE1 4.42Å; F462-F516 AromaticContact CE1-CE1 3.8Å; F462-F516 HydrophobicContact CE1-CE1 3.8Å; F462-F516 HydrophobicContact CE1-CZ 4.32Å; F462-F516 HydrophobicContact CE2-CE1 4.48Å; F462-F516 AromaticContact CZ-CE1 3.83Å; F462-F516 HydrophobicContact CZ-CE1 3.83Å; F462-F516 HydrophobicContact CZ-CZ 4.18Å
463	K	97.4	Very high	92.3	Very high	50 Å²	50	63.2 Å²	63.2	22%	0.217	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	123.7	173.8	-177.7	65.8	162.8	-168	0	109.7	P441 D443 G444 D446 L465 Q466 W468	P441-K463 HydrophobicContact CB-CG 4.34Å; P441-K463 HydrophobicContact CG-CB 3.94Å; P441-K463 HydrophobicContact CG-CG 4.06Å; D443-K463 VanDerWaalsContact OD2-CE 3.23Å; D443-K463 WeakPolarHBondContact OD2-CE 3.32Å; D443-K463 IonicContact OD2-NZ 3.71Å; D443-K463 PolarHBondContact OD2-NZ 3.05Å; G444-K463 VanDerWaalsContact O-CD 3.3Å; G444-K463 WeakPolarHBondContact O-CD 3.42Å; G444-K463 VanDerWaalsContact O-CE 3.31Å; G444-K463 WeakPolarHBondContact O-CE 3.47Å; G444-K463 PolarHBondContact O-NZ 2.89Å; D446-K463 WeakPolarHBondContact OD1-CD 3.23Å; D446-K463 IonicContact OD1-NZ 2.98Å; D446-K463 VanDerWaalsContact OD2-CA 3.29Å; D446-K463 WeakPolarHBondContact OD2-CA 3.36Å; K463-L465 PolarHBondContact O-N 3.2Å; K463-Q466 PolarHBondContact N-O 3.29Å; K463-Q466 PolarHBondContact O-N 2.89Å; K463-Q466 VanDerWaalsContact O-O 3.1Å; K463-W468 HydrophobicContact CB-CH2 3.87Å; K463-W468 HydrophobicContact CB-CZ3 3.55Å
464	G	96.9	Very high	92.6	Very high	26 Å²	26	65.9 Å²	65.9	27%	0.268	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-120	-179.7	0	0	0	0	0	111.9	D446 P501	D446-G464 PolarHBondContact OD2-N 3.47Å; G464-P501 WeakPolarHBondContact O-CA 3.48Å; G464-P501 WeakPolarHBondContact O-CB 3.39Å
465	L	97.8	Very high	93.3	Very high	101 Å²	101	55.3 Å²	55.3	53%	0.529	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.5	-179.6	-54.9	-178.1	0	0	0	113.4	K463 L490 I491	K463-L465 PolarHBondContact O-N 3.2Å; L465-L490 HydrophobicContact CB-CD2 4.33Å; L465-L490 WeakPolarHBondContact O-CA 3.31Å; L465-I491 PolarHBondContact O-N 3Å
466	Q	97.8	Very high	93.9	Very high	77 Å²	77	50.3 Å²	50.3	36%	0.36	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	160	-166.6	-71.5	-179.1	-23.3	0	0	112.6	K463 W468 P488 R489 L490	K463-Q466 PolarHBondContact N-O 3.29Å; K463-Q466 PolarHBondContact O-N 2.89Å; K463-Q466 VanDerWaalsContact O-O 3.1Å; Q466-W468 HydrophobicContact CB-CH2 3.69Å; Q466-W468 HydrophobicContact CB-CZ2 4.45Å; Q466-W468 HydrophobicContact CB-CZ3 3.83Å; Q466-P488 HydrophobicContact CB-CB 4.16Å; Q466-P488 HydrophobicContact CG-CB 4.44Å; Q466-R489 CarbonylContact C-O 3.55Å; Q466-R489 WeakPolarHBondContact CA-O 3.4Å; Q466-L490 HydrophobicContact CG-CD2 4.23Å
467	F	97.9	Very high	94.4	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.7	169.2	77.7	-81.2	0	0	0	111.6	Y460 F461 F462 Y487 P488 R489 L490 I491 F495	Y460-F467 AromaticContact CD1-CD2 3.77Å; Y460-F467 HydrophobicContact CD1-CD2 3.77Å; Y460-F467 AromaticContact CD1-CE2 3.82Å; Y460-F467 HydrophobicContact CD1-CE2 3.82Å; Y460-F467 HydrophobicContact CE1-CD2 4.37Å; Y460-F467 AromaticContact CE1-CE2 3.94Å; Y460-F467 HydrophobicContact CE1-CE2 3.94Å; F461-F467 CarbonylContact O-C 3.53Å; F461-F467 WeakPolarHBondContact O-CA 3.33Å; F461-F467 WeakPolarHBondContact O-CB 3.4Å; F462-F467 HydrophobicContact CD1-CB 3.47Å; F462-F467 VanDerWaalsContact CD1-CB 3.47Å; F462-F467 HydrophobicContact CD1-CG 4.4Å; F462-F467 HydrophobicContact CE1-CB 3.65Å; F462-F467 HydrophobicContact CE1-CG 4.12Å; F462-F467 HydrophobicContact CG-CB 4.08Å; F462-F467 HydrophobicContact CZ-CB 4.39Å; F467-Y487 HydrophobicContact CD2-CE1 4.29Å; F467-Y487 HydrophobicContact CE2-CD1 4.3Å; F467-Y487 AromaticContact CE2-CE1 3.64Å; F467-Y487 HydrophobicContact CE2-CE1 3.64Å; F467-Y487 HydrophobicContact CZ-CE1 4.12Å; F467-P488 WeakPolarHBondContact O-CA 3.17Å; F467-R489 HydrophobicContact CD1-CB 4.02Å; F467-R489 VanDerWaalsContact CD1-O 3.25Å; F467-R489 WeakPolarHBondContact CD1-O 3.33Å; F467-R489 HydrophobicContact CE1-CB 3.44Å; F467-R489 VanDerWaalsContact CE1-CB 3.44Å; F467-R489 HydrophobicContact CZ-CB 3.78Å; F467-R489 PolarHBondContact N-O 2.8Å; F467-R489 PolarHBondContact O-N 3.34Å; F467-L490 WeakPolarHBondContact CE1-O 3.18Å; F467-I491 HydrophobicContact CB-CG1 4.26Å; F467-I491 HydrophobicContact CD1-CG1 4.18Å; F467-F495 HydrophobicContact CD1-CD2 4.36Å; F467-F495 HydrophobicContact CD1-CE2 4.17Å; F467-F495 AromaticContact CD2-CE2 3.91Å; F467-F495 HydrophobicContact CD2-CE2 3.91Å; F467-F495 HydrophobicContact CE1-CD2 4.22Å; F467-F495 HydrophobicContact CE1-CE2 4.09Å; F467-F495 AromaticContact CE2-CE2 3.81Å; F467-F495 HydrophobicContact CE2-CE2 3.81Å; F467-F495 HydrophobicContact CE2-CZ 4.49Å; F467-F495 HydrophobicContact CG-CE2 4.08Å; F467-F495 HydrophobicContact CZ-CD2 4.4Å; F467-F495 AromaticContact CZ-CE2 3.91Å; F467-F495 HydrophobicContact CZ-CE2 3.91Å
468	W	97.4	Very high	94.6	Very high	24 Å²	24	44.5 Å²	44.5	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.1	179.3	-65.9	-112	0	0	0	108.1	P441 Y460 F461 K463 Q466 V477 P488	P441-W468 HydrophobicContact CG-CD2 4.44Å; P441-W468 HydrophobicContact CG-CE3 4.34Å; P441-W468 HydrophobicContact CG-CH2 3.48Å; P441-W468 VanDerWaalsContact CG-CH2 3.48Å; P441-W468 HydrophobicContact CG-CZ2 3.49Å; P441-W468 VanDerWaalsContact CG-CZ2 3.49Å; P441-W468 HydrophobicContact CG-CZ3 3.92Å; Y460-W468 CarbonylContact C-O 3.56Å; Y460-W468 VanDerWaalsContact CA-O 3.27Å; Y460-W468 WeakPolarHBondContact CA-O 3.33Å; F461-W468 HydrophobicContact CB-CB 4.43Å; F461-W468 PolarHBondContact N-O 2.9Å; F461-W468 PolarHBondContact O-N 2.98Å; K463-W468 HydrophobicContact CB-CH2 3.87Å; K463-W468 HydrophobicContact CB-CZ3 3.55Å; Q466-W468 HydrophobicContact CB-CH2 3.69Å; Q466-W468 HydrophobicContact CB-CZ2 4.45Å; Q466-W468 HydrophobicContact CB-CZ3 3.83Å; W468-V477 HydrophobicContact CB-CG1 4.06Å; W468-V477 HydrophobicContact CB-CG2 3.95Å; W468-V477 HydrophobicContact CG-CG1 4.25Å; W468-V477 HydrophobicContact CG-CG2 4.2Å; W468-P488 HydrophobicContact CD2-CB 4Å; W468-P488 HydrophobicContact CG-CB 4.32Å; W468-P488 HydrophobicContact CH2-CB 4.39Å; W468-P488 HydrophobicContact CZ2-CB 3.78Å; W468-P488 HydrophobicContact CZ2-CG 4.09Å
469	R	96.4	Very high	94.6	Very high	45 Å²	45	54.3 Å²	54.3	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.5	165.9	-171.9	-176.9	173	176.4	-4	108.1	V459 Y460 V477 F478 D481 Y487	V459-R469 WeakPolarHBondContact O-CA 3.43Å; Y460-R469 HydrophobicContact CD1-CB 4.19Å; Y460-R469 HydrophobicContact CD1-CG 4.28Å; Y460-R469 HydrophobicContact CE1-CB 4.15Å; Y460-R469 HydrophobicContact CE1-CG 3.97Å; R469-V477 WeakPolarHBondContact O-CA 3.21Å; R469-F478 HydrophobicContact CB-CB 4.46Å; R469-F478 HydrophobicContact CB-CD2 3.99Å; R469-F478 HydrophobicContact CG-CD2 3.6Å; R469-F478 HydrophobicContact CG-CE2 4.01Å; R469-F478 HydrophobicContact CG-CG 4.47Å; R469-F478 WeakPolarHBondContact O-CD2 3.29Å; R469-F478 PolarHBondContact O-N 2.78Å; R469-D481 VanDerWaalsContact NH1-CB 3.34Å; R469-D481 IonicContact NH1-OD2 3.3Å; R469-Y487 HydrophobicContact CB-CD1 3.88Å; R469-Y487 HydrophobicContact CB-CD2 4.24Å; R469-Y487 HydrophobicContact CB-CE1 3.5Å; R469-Y487 VanDerWaalsContact CB-CE1 3.5Å; R469-Y487 HydrophobicContact CB-CE2 3.92Å; R469-Y487 HydrophobicContact CB-CG 4.24Å
470	Y	95.1	Very high	94.4	Very high	5 Å²	5	59.1 Å²	59.1	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.3	-177.1	-156.4	-103.2	0	0	0	111.8	W437 H438 I440 V459 F461 D475 V477 F478	W437-Y470 WeakPolarHBondContact CA-OH 3.42Å; W437-Y470 HydrophobicContact CE3-CD1 4.32Å; W437-Y470 AromaticContact CE3-CE1 3.68Å; W437-Y470 HydrophobicContact CE3-CE1 3.68Å; W437-Y470 HydrophobicContact CE3-CE2 4.17Å; W437-Y470 AromaticContact CE3-CZ 3.6Å; W437-Y470 HydrophobicContact CZ3-CD1 4.14Å; W437-Y470 AromaticContact CZ3-CE1 3.73Å; W437-Y470 HydrophobicContact CZ3-CE1 3.73Å; H438-Y470 PolarHBondContact N-OH 2.69Å; I440-Y470 HydrophobicContact CG2-CD2 4.03Å; I440-Y470 HydrophobicContact CG2-CE2 4.11Å; V459-Y470 PolarHBondContact O-N 3.29Å; F461-Y470 HydrophobicContact CD2-CD2 4Å; F461-Y470 HydrophobicContact CD2-CG 4.1Å; F461-Y470 HydrophobicContact CE2-CD1 4.23Å; F461-Y470 AromaticContact CE2-CD2 3.74Å; F461-Y470 HydrophobicContact CE2-CD2 3.74Å; F461-Y470 HydrophobicContact CE2-CE2 4.37Å; F461-Y470 AromaticContact CE2-CG 3.66Å; F461-Y470 HydrophobicContact CE2-CG 3.66Å; Y470-D475 VanDerWaalsContact OH-CG 3.29Å; Y470-D475 PolarHBondContact OH-O 2.81Å; Y470-D475 PolarHBondContact OH-OD1 2.93Å; Y470-V477 HydrophobicContact CD2-CG2 3.9Å; Y470-V477 HydrophobicContact CE2-CG2 4.31Å; Y470-F478 WeakPolarHBondContact O-CE2 3.46Å
471	D	92.2	Very high	93.8	Very high	21 Å²	21	59.2 Å²	59.2	11%	0.112	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	96.7	171.2	-172.8	-16.4	0	0	0	108.6	E473 N474 D475 R476 F478	D471-E473 PolarHBondContact O-N 3.46Å; D471-E473 PolarHBondContact OD1-N 2.7Å; D471-N474 HydrophobicContact CB-CB 4.47Å; D471-N474 PolarHBondContact O-N 2.96Å; D471-N474 PolarHBondContact OD1-N 2.83Å; D471-N474 PolarHBondContact OD2-ND2 3.37Å; D471-D475 WeakPolarHBondContact O-CA 3.3Å; D471-D475 PolarHBondContact O-N 2.67Å; D471-R476 WeakPolarHBondContact CA-O 3.41Å; D471-R476 VanDerWaalsContact CB-O 3.23Å; D471-R476 WeakPolarHBondContact CB-O 3.48Å; D471-R476 PolarHBondContact N-O 2.88Å; D471-R476 PolarHBondContact O-N 3.45Å; D471-F478 HydrophobicContact CB-CD2 4.03Å; D471-F478 HydrophobicContact CB-CE1 4.29Å; D471-F478 HydrophobicContact CB-CE2 3.54Å; D471-F478 HydrophobicContact CB-CZ 3.67Å
472	S	88.8	Confident	93.1	Very high	41 Å²	41	64.7 Å²	64.7	29%	0.287	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.1	179.4	-61.5	0	0	0	0	113.4	W390	W390-S472 PolarHBondContact NE1-OG 3.33Å
473	E	85.9	Confident	92.5	Very high	173 Å²	173	70.9 Å²	70.9	81%	0.808	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-39.4	-178.6	-62.4	-174.3	165.8	0	0	111.4	D471	D471-E473 PolarHBondContact O-N 3.46Å; D471-E473 PolarHBondContact OD1-N 2.7Å
474	N	89.1	Confident	92	Very high	94 Å²	94	71 Å²	71	50%	0.503	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	6.4	179.7	-63.7	-71.5	0	0	0	113.7	D471 R476	D471-N474 HydrophobicContact CB-CB 4.47Å; D471-N474 PolarHBondContact O-N 2.96Å; D471-N474 PolarHBondContact OD1-N 2.83Å; D471-N474 PolarHBondContact OD2-ND2 3.37Å; N474-R476 VanDerWaalsContact C-N 3.34Å; N474-R476 HydrophobicContact CB-CG 4.1Å; N474-R476 PolarHBondContact O-N 2.97Å
475	D	90.3	Very high	91.6	Very high	41 Å²	41	73.4 Å²	73.4	22%	0.219	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	50.2	179.9	-168.4	44.9	0	0	0	113.8	H438 Y470 D471	H438-D475 VanDerWaalsContact CB-O 3.3Å; H438-D475 WeakPolarHBondContact CB-O 3.47Å; H438-D475 IonicContact CE1-OD2 3.55Å; H438-D475 PolarHBondContact CE1-OD2 2.91Å; H438-D475 PolarHBondContact ND1-O 3.47Å; H438-D475 VanDerWaalsContact ND1-O 3.11Å; H438-D475 IonicContact ND1-OD2 2.75Å; H438-D475 PolarHBondContact ND1-OD2 3.3Å; Y470-D475 VanDerWaalsContact OH-CG 3.29Å; Y470-D475 PolarHBondContact OH-O 2.81Å; Y470-D475 PolarHBondContact OH-OD1 2.93Å; D471-D475 WeakPolarHBondContact O-CA 3.3Å; D471-D475 PolarHBondContact O-N 2.67Å
476	R	93.9	Very high	91.4	Very high	142 Å²	142	77.4 Å²	77.4	54%	0.536	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	160	-178.9	66.8	-175.1	-174.4	176.7	-1.8	113.3	H438 D471 N474	H438-R476 HydrophobicContact CB-CB 4.27Å; H438-R476 CarbonylContact O-C 3.58Å; H438-R476 WeakPolarHBondContact O-CA 3.4Å; D471-R476 WeakPolarHBondContact CA-O 3.41Å; D471-R476 VanDerWaalsContact CB-O 3.23Å; D471-R476 WeakPolarHBondContact CB-O 3.48Å; D471-R476 PolarHBondContact N-O 2.88Å; D471-R476 PolarHBondContact O-N 3.45Å; N474-R476 VanDerWaalsContact C-N 3.34Å; N474-R476 HydrophobicContact CB-CG 4.1Å; N474-R476 PolarHBondContact O-N 2.97Å
477	V	95.2	Very high	91.3	Very high	19 Å²	19	74.9 Å²	74.9	12%	0.115	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.5	168.8	171	0	0	0	0	111.7	H438 G439 I440 W468 R469 Y470 R479	H438-V477 PolarHBondContact O-N 2.92Å; G439-V477 VanDerWaalsContact C-CG2 3.45Å; G439-V477 WeakPolarHBondContact O-CG2 3.34Å; I440-V477 HydrophobicContact CG2-CG2 3.8Å; W468-V477 HydrophobicContact CB-CG1 4.06Å; W468-V477 HydrophobicContact CB-CG2 3.95Å; W468-V477 HydrophobicContact CG-CG1 4.25Å; W468-V477 HydrophobicContact CG-CG2 4.2Å; R469-V477 WeakPolarHBondContact O-CA 3.21Å; Y470-V477 HydrophobicContact CD2-CG2 3.9Å; Y470-V477 HydrophobicContact CE2-CG2 4.31Å; V477-R479 PolarHBondContact O-N 2.86Å
478	F	93.9	Very high	91.2	Very high	52 Å²	52	77.4 Å²	77.4	23%	0.228	37%	0.373	C	S	.	.			trans	-63.7	121.9	168.3	-77	-84.5	0	0	0	111.6	R469 Y470 D471 Y487	R469-F478 HydrophobicContact CB-CB 4.46Å; R469-F478 HydrophobicContact CB-CD2 3.99Å; R469-F478 HydrophobicContact CG-CD2 3.6Å; R469-F478 HydrophobicContact CG-CE2 4.01Å; R469-F478 HydrophobicContact CG-CG 4.47Å; R469-F478 WeakPolarHBondContact O-CD2 3.29Å; R469-F478 PolarHBondContact O-N 2.78Å; Y470-F478 WeakPolarHBondContact O-CE2 3.46Å; D471-F478 HydrophobicContact CB-CD2 4.03Å; D471-F478 HydrophobicContact CB-CE1 4.29Å; D471-F478 HydrophobicContact CB-CE2 3.54Å; D471-F478 HydrophobicContact CB-CZ 3.67Å; F478-Y487 HydrophobicContact CB-CD2 4.04Å; F478-Y487 HydrophobicContact CB-CE2 4.39Å; F478-Y487 VanDerWaalsContact O-CB 3.31Å; F478-Y487 WeakPolarHBondContact O-CB 3.25Å; F478-Y487 WeakPolarHBondContact O-CD2 3.43Å
479	R	91.2	Very high	91.2	Very high	211 Å²	211	78.3 Å²	78.3	80%	0.796	38%	0.377	S	S	*	.	S	Bend	trans	-71.5	-41.3	168.1	-68.4	-174.5	-178.1	171.8	0.7	111.9	V477 R486 Y487	V477-R479 PolarHBondContact O-N 2.86Å; R479-R486 VanDerWaalsContact O-CA 3.28Å; R479-R486 WeakPolarHBondContact O-CA 3.46Å; R479-Y487 PolarHBondContact O-N 2.81Å
480	H	91.3	Very high	91.2	Very high	107 Å²	107	79.4 Å²	79.4	50%	0.495	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-136.6	144	172.5	-56.5	89	0	0	0	107.9	R485 R486	H480-R485 CarbonylContact C-O 3.41Å; H480-R485 VanDerWaalsContact CA-O 3.23Å; H480-R485 WeakPolarHBondContact CA-O 3.42Å; H480-R486 WeakPolarHBondContact CD2-CG 3.48Å; H480-R486 WeakPolarHBondContact NE2-CD 3.19Å; H480-R486 WeakPolarHBondContact NE2-CG 3.45Å
481	D	85.2	Confident	91.3	Very high	11 Å²	11	79.2 Å²	79.2	6%	0.059	39%	0.385	C	S	.	.			trans	-89.1	178.7	166.8	64.6	19.5	0	0	0	112.7	R469 E483 G484 R485 Y487	R469-D481 VanDerWaalsContact NH1-CB 3.34Å; R469-D481 IonicContact NH1-OD2 3.3Å; D481-E483 PolarHBondContact O-N 2.89Å; D481-E483 VanDerWaalsContact O-N 3.08Å; D481-E483 WeakPolarHBondContact OD1-CA 3.5Å; D481-E483 PolarHBondContact OD1-N 2.95Å; D481-G484 PolarHBondContact O-N 2.91Å; D481-G484 PolarHBondContact OD1-N 3.38Å; D481-R485 PolarHBondContact N-O 2.94Å; D481-R485 WeakPolarHBondContact OD1-CB 3.47Å; D481-R485 PolarHBondContact OD1-N 2.96Å; D481-R485 IonicContact OD1-NE 3.79Å; D481-R485 IonicContact OD2-CZ 2.87Å; D481-R485 VanDerWaalsContact OD2-CZ 3.26Å; D481-R485 IonicContact OD2-NE 3.43Å; D481-R485 PolarHBondContact OD2-NE 2.76Å; D481-R485 IonicContact OD2-NH2 3.64Å; D481-R485 PolarHBondContact OD2-NH2 2.75Å; D481-Y487 HydrophobicContact CB-CE2 3.97Å; D481-Y487 PolarHBondContact OD2-OH 2.94Å
482	S	83.5	Confident	91.5	Very high	115 Å²	115	81.5 Å²	81.5	80%	0.804	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-17.7	177.6	53.1	0	0	0	0	114.3
483	E	84.6	Confident	91.7	Very high	129 Å²	129	84.9 Å²	84.9	60%	0.603	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	8.5	177.8	-66.3	165.4	-122.8	0	0	111.7	D481 R485	D481-E483 PolarHBondContact O-N 2.89Å; D481-E483 VanDerWaalsContact O-N 3.08Å; D481-E483 WeakPolarHBondContact OD1-CA 3.5Å; D481-E483 PolarHBondContact OD1-N 2.95Å; E483-R485 VanDerWaalsContact C-N 3.31Å; E483-R485 HydrophobicContact CB-CG 4.45Å; E483-R485 VanDerWaalsContact CD-CZ 3.48Å; E483-R485 PolarHBondContact O-N 3.45Å; E483-R485 IonicContact OE1-CZ 3.93Å; E483-R485 IonicContact OE1-NH1 3.16Å; E483-R485 IonicContact OE1-NH2 3.63Å; E483-R485 PolarHBondContact OE1-NH2 3.06Å; E483-R485 IonicContact OE2-CZ 2.84Å; E483-R485 IonicContact OE2-NE 3.75Å; E483-R485 IonicContact OE2-NH1 2.77Å; E483-R485 PolarHBondContact OE2-NH1 3.16Å; E483-R485 IonicContact OE2-NH2 2.71Å; E483-R485 PolarHBondContact OE2-NH2 2.95Å
484	G	87.6	Confident	92.1	Very high	52 Å²	52	77.1 Å²	77.1	54%	0.536	38%	0.381	S	S	.	.			trans	78.4	7.9	178.3	0	0	0	0	0	114.7	D481	D481-G484 PolarHBondContact O-N 2.91Å; D481-G484 PolarHBondContact OD1-N 3.38Å
485	R	89.4	Confident	92.5	Very high	78 Å²	78	73 Å²	73	29%	0.294	36%	0.358	S	S	.	.			trans	-78.5	129.6	-178.6	-57.3	-179.9	-66.5	-131.3	-16.4	110.5	H480 D481 E483	H480-R485 CarbonylContact C-O 3.41Å; H480-R485 VanDerWaalsContact CA-O 3.23Å; H480-R485 WeakPolarHBondContact CA-O 3.42Å; D481-R485 PolarHBondContact N-O 2.94Å; D481-R485 WeakPolarHBondContact OD1-CB 3.47Å; D481-R485 PolarHBondContact OD1-N 2.96Å; D481-R485 IonicContact OD1-NE 3.79Å; D481-R485 IonicContact OD2-CZ 2.87Å; D481-R485 VanDerWaalsContact OD2-CZ 3.26Å; D481-R485 IonicContact OD2-NE 3.43Å; D481-R485 PolarHBondContact OD2-NE 2.76Å; D481-R485 IonicContact OD2-NH2 3.64Å; D481-R485 PolarHBondContact OD2-NH2 2.75Å; E483-R485 VanDerWaalsContact C-N 3.31Å; E483-R485 HydrophobicContact CB-CG 4.45Å; E483-R485 VanDerWaalsContact CD-CZ 3.48Å; E483-R485 PolarHBondContact O-N 3.45Å; E483-R485 IonicContact OE1-CZ 3.93Å; E483-R485 IonicContact OE1-NH1 3.16Å; E483-R485 IonicContact OE1-NH2 3.63Å; E483-R485 PolarHBondContact OE1-NH2 3.06Å; E483-R485 IonicContact OE2-CZ 2.84Å; E483-R485 IonicContact OE2-NE 3.75Å; E483-R485 IonicContact OE2-NH1 2.77Å; E483-R485 PolarHBondContact OE2-NH1 3.16Å; E483-R485 IonicContact OE2-NH2 2.71Å; E483-R485 PolarHBondContact OE2-NH2 2.95Å
486	R	93.5	Very high	92.8	Very high	184 Å²	184	73.7 Å²	73.7	69%	0.694	37%	0.365	S	S	*	.	B	Isolated β-bridge	trans	-80.9	145.3	179.7	-75.4	-172.1	-64.7	-175.1	2.2	112.4	R479 H480 R489	R479-R486 VanDerWaalsContact O-CA 3.28Å; R479-R486 WeakPolarHBondContact O-CA 3.46Å; H480-R486 WeakPolarHBondContact CD2-CG 3.48Å; H480-R486 WeakPolarHBondContact NE2-CD 3.19Å; H480-R486 WeakPolarHBondContact NE2-CG 3.45Å; R486-R489 WeakPolarHBondContact O-CD 3.2Å; R486-R489 WeakPolarHBondContact O-CG 3.15Å
487	Y	94.8	Very high	92.8	Very high	25 Å²	25	69.5 Å²	69.5	10%	0.098	37%	0.366	C	S	.	.	S	Bend	trans	-119.3	153.5	169.7	-60.9	-95.6	0	0	0	111.6	F467 R469 F478 R479 D481 R489	F467-Y487 HydrophobicContact CD2-CE1 4.29Å; F467-Y487 HydrophobicContact CE2-CD1 4.3Å; F467-Y487 AromaticContact CE2-CE1 3.64Å; F467-Y487 HydrophobicContact CE2-CE1 3.64Å; F467-Y487 HydrophobicContact CZ-CE1 4.12Å; R469-Y487 HydrophobicContact CB-CD1 3.88Å; R469-Y487 HydrophobicContact CB-CD2 4.24Å; R469-Y487 HydrophobicContact CB-CE1 3.5Å; R469-Y487 VanDerWaalsContact CB-CE1 3.5Å; R469-Y487 HydrophobicContact CB-CE2 3.92Å; R469-Y487 HydrophobicContact CB-CG 4.24Å; F478-Y487 HydrophobicContact CB-CD2 4.04Å; F478-Y487 HydrophobicContact CB-CE2 4.39Å; F478-Y487 VanDerWaalsContact O-CB 3.31Å; F478-Y487 WeakPolarHBondContact O-CB 3.25Å; F478-Y487 WeakPolarHBondContact O-CD2 3.43Å; R479-Y487 PolarHBondContact O-N 2.81Å; D481-Y487 HydrophobicContact CB-CE2 3.97Å; D481-Y487 PolarHBondContact OD2-OH 2.94Å; Y487-R489 HydrophobicContact CD1-CB 4.32Å; Y487-R489 HydrophobicContact CD1-CG 3.8Å; Y487-R489 HydrophobicContact CE1-CG 4Å; Y487-R489 HydrophobicContact CG-CG 4.29Å
488	P	96.5	Very high	92.9	Very high	57 Å²	57	69 Å²	69	37%	0.37	36%	0.362	S	S	.	.	S	Bend	cis	-65.1	154.9	-1.7	25.9	-33.3	0	0	0	113.9	Q466 F467 W468	Q466-P488 HydrophobicContact CB-CB 4.16Å; Q466-P488 HydrophobicContact CG-CB 4.44Å; F467-P488 WeakPolarHBondContact O-CA 3.17Å; W468-P488 HydrophobicContact CD2-CB 4Å; W468-P488 HydrophobicContact CG-CB 4.32Å; W468-P488 HydrophobicContact CH2-CB 4.39Å; W468-P488 HydrophobicContact CZ2-CB 3.78Å; W468-P488 HydrophobicContact CZ2-CG 4.09Å
489	R	96.1	Very high	93	Very high	43 Å²	43	67.5 Å²	67.5	16%	0.162	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154.4	177.4	-68.1	-169.2	69.4	-146.1	-6.8	110.9	Q466 F467 R486 Y487 E493	Q466-R489 CarbonylContact C-O 3.55Å; Q466-R489 WeakPolarHBondContact CA-O 3.4Å; F467-R489 HydrophobicContact CD1-CB 4.02Å; F467-R489 VanDerWaalsContact CD1-O 3.25Å; F467-R489 WeakPolarHBondContact CD1-O 3.33Å; F467-R489 HydrophobicContact CE1-CB 3.44Å; F467-R489 VanDerWaalsContact CE1-CB 3.44Å; F467-R489 HydrophobicContact CZ-CB 3.78Å; F467-R489 PolarHBondContact N-O 2.8Å; F467-R489 PolarHBondContact O-N 3.34Å; R486-R489 WeakPolarHBondContact O-CD 3.2Å; R486-R489 WeakPolarHBondContact O-CG 3.15Å; Y487-R489 HydrophobicContact CD1-CB 4.32Å; Y487-R489 HydrophobicContact CD1-CG 3.8Å; Y487-R489 HydrophobicContact CE1-CG 4Å; Y487-R489 HydrophobicContact CG-CG 4.29Å; R489-E493 IonicContact CZ-OE2 3.35Å; R489-E493 IonicContact NE-OE2 3.18Å; R489-E493 IonicContact NH2-OE2 3.86Å; R489-E493 PolarHBondContact NH2-OE2 3.37Å
490	L	97.3	Very high	93.1	Very high	68 Å²	68	58.9 Å²	58.9	36%	0.356	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.3	171.4	-64.8	177	0	0	0	110.4	L465 Q466 F467 S492 E493 G494	L465-L490 HydrophobicContact CB-CD2 4.33Å; L465-L490 WeakPolarHBondContact O-CA 3.31Å; Q466-L490 HydrophobicContact CG-CD2 4.23Å; F467-L490 WeakPolarHBondContact CE1-O 3.18Å; L490-S492 PolarHBondContact O-N 2.94Å; L490-E493 HydrophobicContact CB-CB 4.49Å; L490-E493 HydrophobicContact CB-CG 4.03Å; L490-E493 PolarHBondContact O-N 3.18Å; L490-G494 PolarHBondContact O-N 3.29Å
491	I	97.6	Very high	93.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-55.9	-40.2	177.3	-64.8	170.8	0	0	0	110.3	F462 L465 F467 E493 G494 F495 I498 S500 I502	F462-I491 HydrophobicContact CD1-CD1 3.86Å; F462-I491 HydrophobicContact CD1-CG1 3.9Å; F462-I491 HydrophobicContact CE1-CG1 4.36Å; L465-I491 PolarHBondContact O-N 3Å; F467-I491 HydrophobicContact CB-CG1 4.26Å; F467-I491 HydrophobicContact CD1-CG1 4.18Å; I491-E493 PolarHBondContact O-N 3.19Å; I491-G494 PolarHBondContact O-N 2.55Å; I491-F495 HydrophobicContact CG2-CB 4.31Å; I491-F495 HydrophobicContact CG2-CD2 4.36Å; I491-F495 CarbonylContact O-C 3.58Å; I491-F495 WeakPolarHBondContact O-CA 3.18Å; I491-F495 PolarHBondContact O-N 3.33Å; I491-I498 HydrophobicContact CG2-CB 4.35Å; I491-I498 HydrophobicContact CG2-CG2 4.08Å; I491-S500 WeakPolarHBondContact CB-OG 3.23Å; I491-I502 HydrophobicContact CD1-CG1 4.48Å
492	S	95	Very high	94	Very high	70 Å²	70	56.1 Å²	56.1	49%	0.49	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-25.8	178.4	55.6	0	0	0	0	114.3	L490	L490-S492 PolarHBondContact O-N 2.94Å
493	E	94.1	Very high	94.7	Very high	111 Å²	111	52.7 Å²	52.7	52%	0.519	29%	0.294	S	S	.	.	H	α-helix	trans	-87.6	-31.3	176.9	-64.6	177	-168.8	0	0	113.1	R489 L490 I491	R489-E493 IonicContact CZ-OE2 3.35Å; R489-E493 IonicContact NE-OE2 3.18Å; R489-E493 IonicContact NH2-OE2 3.86Å; R489-E493 PolarHBondContact NH2-OE2 3.37Å; L490-E493 HydrophobicContact CB-CB 4.49Å; L490-E493 HydrophobicContact CB-CG 4.03Å; L490-E493 PolarHBondContact O-N 3.18Å; I491-E493 PolarHBondContact O-N 3.19Å
494	G	93.9	Very high	95.3	Very high	11 Å²	11	46.6 Å²	46.6	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-87.1	-32.1	179.8	0	0	0	0	0	113.3	L490 I491	L490-G494 PolarHBondContact O-N 3.29Å; I491-G494 PolarHBondContact O-N 2.55Å
495	F	96.9	Very high	95.8	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.031	24%	0.241	C	C	.	.	S	Bend	trans	-134.3	71.7	-173.5	-57.4	-83.1	0	0	0	109.1	Y460 F462 F467 I491 G497 I498 I514 F516 F525	Y460-F495 HydrophobicContact CD2-CZ 4.23Å; Y460-F495 HydrophobicContact CE2-CZ 4.3Å; Y460-F495 HydrophobicContact CG-CZ 4.39Å; F462-F495 AromaticContact CE1-CD2 3.92Å; F462-F495 HydrophobicContact CE1-CD2 3.92Å; F462-F495 AromaticContact CE1-CE2 3.54Å; F462-F495 HydrophobicContact CE1-CE2 3.54Å; F462-F495 HydrophobicContact CE1-CZ 4.21Å; F462-F495 HydrophobicContact CZ-CD2 4.37Å; F462-F495 AromaticContact CZ-CE2 3.64Å; F462-F495 HydrophobicContact CZ-CE2 3.64Å; F462-F495 AromaticContact CZ-CZ 3.84Å; F462-F495 HydrophobicContact CZ-CZ 3.84Å; F467-F495 HydrophobicContact CD1-CD2 4.36Å; F467-F495 HydrophobicContact CD1-CE2 4.17Å; F467-F495 AromaticContact CD2-CE2 3.91Å; F467-F495 HydrophobicContact CD2-CE2 3.91Å; F467-F495 HydrophobicContact CE1-CD2 4.22Å; F467-F495 HydrophobicContact CE1-CE2 4.09Å; F467-F495 AromaticContact CE2-CE2 3.81Å; F467-F495 HydrophobicContact CE2-CE2 3.81Å; F467-F495 HydrophobicContact CE2-CZ 4.49Å; F467-F495 HydrophobicContact CG-CE2 4.08Å; F467-F495 HydrophobicContact CZ-CD2 4.4Å; F467-F495 AromaticContact CZ-CE2 3.91Å; F467-F495 HydrophobicContact CZ-CE2 3.91Å; I491-F495 HydrophobicContact CG2-CB 4.31Å; I491-F495 HydrophobicContact CG2-CD2 4.36Å; I491-F495 CarbonylContact O-C 3.58Å; I491-F495 WeakPolarHBondContact O-CA 3.18Å; I491-F495 PolarHBondContact O-N 3.33Å; F495-G497 PolarHBondContact O-N 3.26Å; F495-I498 HydrophobicContact CB-CB 4.04Å; F495-I498 HydrophobicContact CB-CG1 3.78Å; F495-I498 WeakPolarHBondContact O-CB 3.28Å; F495-I498 PolarHBondContact O-N 2.93Å; F495-I498 VanDerWaalsContact O-N 3.09Å; F495-I514 HydrophobicContact CD1-CD1 4.44Å; F495-I514 HydrophobicContact CE1-CD1 3.68Å; F495-I514 HydrophobicContact CZ-CD1 4.46Å; F495-F516 HydrophobicContact CB-CZ 4.45Å; F495-F516 HydrophobicContact CD1-CE2 4.16Å; F495-F516 AromaticContact CD1-CZ 3.79Å; F495-F516 HydrophobicContact CD1-CZ 3.79Å; F495-F516 HydrophobicContact CD2-CZ 4.44Å; F495-F516 HydrophobicContact CE1-CZ 4.11Å; F495-F516 AromaticContact CG-CZ 3.97Å; F495-F516 HydrophobicContact CG-CZ 3.97Å; F495-F525 HydrophobicContact CB-CD2 4.39Å; F495-F525 HydrophobicContact CB-CE2 4.19Å; F495-F525 HydrophobicContact CB-CZ 4.41Å; F495-F525 AromaticContact CD1-CD1 3.8Å; F495-F525 HydrophobicContact CD1-CD1 3.8Å; F495-F525 AromaticContact CD1-CE1 3.7Å; F495-F525 HydrophobicContact CD1-CE1 3.7Å; F495-F525 HydrophobicContact CD1-CE2 4.47Å; F495-F525 HydrophobicContact CD1-CG 4.22Å; F495-F525 HydrophobicContact CD1-CZ 4.04Å; F495-F525 HydrophobicContact CE1-CD1 4.4Å; F495-F525 HydrophobicContact CE1-CE1 4.3Å
496	P	96.4	Very high	96.2	Very high	55 Å²	55	40.8 Å²	40.8	36%	0.357	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134.8	-176.5	24.5	-34.8	0	0	0	111.5	I498 F525	P496-I498 VanDerWaalsContact C-N 3.32Å; P496-F525 HydrophobicContact CG-CE2 4.31Å
497	G	94.8	Very high	96.3	Very high	54 Å²	54	32.8 Å²	32.8	56%	0.557	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.8	-6.9	-176.2	0	0	0	0	0	114.7	F495	F495-G497 PolarHBondContact O-N 3.26Å
498	I	97.8	Very high	96.3	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.046	20%	0.197	C	C	.	.			trans	-84.9	130.5	172.8	-58.4	-55.8	0	0	0	110	I491 F495 P496 I502 F516 Y523 F525 L532	I491-I498 HydrophobicContact CG2-CB 4.35Å; I491-I498 HydrophobicContact CG2-CG2 4.08Å; F495-I498 HydrophobicContact CB-CB 4.04Å; F495-I498 HydrophobicContact CB-CG1 3.78Å; F495-I498 WeakPolarHBondContact O-CB 3.28Å; F495-I498 PolarHBondContact O-N 2.93Å; F495-I498 VanDerWaalsContact O-N 3.09Å; P496-I498 VanDerWaalsContact C-N 3.32Å; I498-I502 HydrophobicContact CG2-CG2 4.04Å; I498-F516 HydrophobicContact CD1-CD2 3.61Å; I498-F516 HydrophobicContact CD1-CE2 4.11Å; I498-F516 HydrophobicContact CD1-CG 4.3Å; I498-F516 HydrophobicContact CG1-CD2 3.8Å; I498-F516 HydrophobicContact CG1-CE2 3.86Å; I498-F516 HydrophobicContact CG1-CG 4.43Å; I498-F516 HydrophobicContact CG2-CB 4.01Å; I498-F516 HydrophobicContact CG2-CD1 3.89Å; I498-F516 HydrophobicContact CG2-CD2 3.93Å; I498-F516 HydrophobicContact CG2-CE1 4.31Å; I498-F516 HydrophobicContact CG2-CE2 4.33Å; I498-F516 HydrophobicContact CG2-CG 3.68Å; I498-Y523 HydrophobicContact CD1-CG 4.47Å; I498-F525 HydrophobicContact CD1-CB 4.06Å; I498-F525 HydrophobicContact CD1-CD2 4.16Å; I498-F525 HydrophobicContact CG1-CB 4.35Å; I498-F525 HydrophobicContact CG1-CD2 3.87Å; I498-F525 HydrophobicContact CG1-CG 4.4Å; I498-L532 HydrophobicContact CD1-CD1 3.79Å
499	P	95.6	Very high	96	Very high	21 Å²	21	36.3 Å²	36.3	14%	0.136	21%	0.205	C	C	.	.			trans	-71.1	151.9	178	31.1	-38.7	0	0	0	112	I502 R518 Y523	P499-I502 WeakPolarHBondContact O-CG2 3.47Å; P499-R518 VanDerWaalsContact CB-NH1 3.31Å; P499-R518 HydrophobicContact CG-CB 4.12Å; P499-Y523 HydrophobicContact CG-CD1 4.18Å; P499-Y523 HydrophobicContact CG-CD2 3.86Å; P499-Y523 HydrophobicContact CG-CE1 3.83Å; P499-Y523 HydrophobicContact CG-CE2 3.5Å; P499-Y523 HydrophobicContact CG-CG 4.21Å; P499-Y523 VanDerWaalsContact CG-CZ 3.49Å
500	S	94.2	Very high	95.7	Very high	29 Å²	29	40 Å²	40	20%	0.203	22%	0.219	C	C	.	.	S	Bend	trans	-126.6	146.5	172.3	-47.2	0	0	0	0	111.7	I491 R518	I491-S500 WeakPolarHBondContact CB-OG 3.23Å; S500-R518 PolarHBondContact O-NH1 2.54Å; S500-R518 PolarHBondContact O-NH2 3.23Å
501	P	96.6	Very high	95.5	Very high	56 Å²	56	38.8 Å²	38.8	36%	0.364	21%	0.213	S	C	.	.	S	Bend	cis	-67.6	163.8	-12.4	32.4	-36.5	0	0	0	112.1	G464 R518	G464-P501 WeakPolarHBondContact O-CA 3.48Å; G464-P501 WeakPolarHBondContact O-CB 3.39Å; P501-R518 VanDerWaalsContact O-CD 3.32Å; P501-R518 WeakPolarHBondContact O-CD 3.44Å; P501-R518 PolarHBondContact O-NE 2.86Å
502	I	97.7	Very high	95.3	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	22%	0.22	C	C	.	.			trans	-101.7	156.5	171.9	62	171.7	0	0	0	109.5	A447 F462 I491 I498 P499 A505 F516	A447-I502 HydrophobicContact CB-CD1 3.95Å; F462-I502 HydrophobicContact CB-CD1 3.74Å; F462-I502 HydrophobicContact CB-CG1 4.32Å; F462-I502 HydrophobicContact CD1-CD1 3.83Å; F462-I502 HydrophobicContact CD2-CD1 4.35Å; F462-I502 HydrophobicContact CG-CD1 3.72Å; I491-I502 HydrophobicContact CD1-CG1 4.48Å; I498-I502 HydrophobicContact CG2-CG2 4.04Å; P499-I502 WeakPolarHBondContact O-CG2 3.47Å; I502-A505 HydrophobicContact CD1-CB 4.22Å; I502-F516 HydrophobicContact CD1-CD1 3.67Å; I502-F516 HydrophobicContact CD1-CE1 4.02Å; I502-F516 HydrophobicContact CG2-CB 4.43Å; I502-F516 HydrophobicContact CG2-CD1 4.05Å
503	D	97.6	Very high	95.3	Very high	43 Å²	43	38.2 Å²	38.2	23%	0.23	21%	0.205	C	C	.	.	S	Bend	trans	-90.9	-37.9	176.3	-59.1	-16.4	0	0	0	111.3	D446 F517 R519 S556 I557	D446-D503 VanDerWaalsContact O-O 3.09Å; D503-F517 PolarHBondContact N-O 2.96Å; D503-R519 WeakPolarHBondContact OD2-CA 3.42Å; D503-R519 PolarHBondContact OD2-N 3.17Å; D503-S556 WeakPolarHBondContact OD2-CA 3.18Å; D503-S556 WeakPolarHBondContact OD2-CB 3.38Å; D503-S556 PolarHBondContact OD2-OG 3.27Å; D503-I557 WeakPolarHBondContact CB-O 3.29Å
504	S	97.9	Very high	95.5	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	165.5	-178.8	177.8	0	0	0	0	110.3	F517 A560	S504-F517 PolarHBondContact O-N 3.13Å; S504-A560 WeakPolarHBondContact OG-CB 3.44Å; S504-A560 PolarHBondContact OG-N 2.72Å
505	A	98.3	Very high	95.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	152.9	173.1	0	0	0	0	0	112.6	A447 V449 I502 I514 Y515 F516	A447-A505 HydrophobicContact CB-CB 4.03Å; V449-A505 HydrophobicContact CG2-CB 3.62Å; I502-A505 HydrophobicContact CD1-CB 4.22Å; A505-I514 HydrophobicContact CB-CG2 4.31Å; A505-Y515 CarbonylContact C-O 3.56Å; A505-Y515 WeakPolarHBondContact CA-O 3.41Å; A505-F516 HydrophobicContact CB-CD1 3.6Å; A505-F516 HydrophobicContact CB-CE1 3.96Å; A505-F516 HydrophobicContact CB-CG 4.23Å
506	F	97.4	Very high	95.8	Very high	7 Å²	7	32.9 Å²	32.9	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	160.6	168	75.5	-83.9	0	0	0	111.6	D508 I514 Y515 F517 F544 A560 L569	F506-D508 HydrophobicContact CE2-CB 3.87Å; F506-I514 CarbonylContact O-C 3.53Å; F506-I514 WeakPolarHBondContact O-CA 3.49Å; F506-Y515 HydrophobicContact CE1-CD2 4.42Å; F506-Y515 HydrophobicContact CE1-CG 4.12Å; F506-Y515 HydrophobicContact CE2-CD2 4.07Å; F506-Y515 AromaticContact CZ-CD2 3.76Å; F506-Y515 HydrophobicContact CZ-CD2 3.76Å; F506-Y515 AromaticContact CZ-CG 3.85Å; F506-Y515 HydrophobicContact CZ-CG 3.85Å; F506-Y515 PolarHBondContact N-O 3.31Å; F506-Y515 PolarHBondContact O-N 2.9Å; F506-F517 AromaticContact CD1-CE2 3.71Å; F506-F517 HydrophobicContact CD1-CE2 3.71Å; F506-F517 HydrophobicContact CD1-CZ 4.23Å; F506-F517 AromaticContact CE1-CE2 3.7Å; F506-F517 HydrophobicContact CE1-CE2 3.7Å; F506-F517 AromaticContact CE1-CZ 3.8Å; F506-F517 HydrophobicContact CE1-CZ 3.8Å; F506-F544 AromaticContact CE1-CZ 3.93Å; F506-F544 HydrophobicContact CE1-CZ 3.93Å; F506-F544 AromaticContact CZ-CZ 3.94Å; F506-F544 HydrophobicContact CZ-CZ 3.94Å; F506-A560 WeakPolarHBondContact CB-O 3.38Å; F506-A560 HydrophobicContact CD1-CB 3.86Å; F506-L569 HydrophobicContact CB-CD1 4.42Å; F506-L569 HydrophobicContact CD1-CD1 3.86Å; F506-L569 HydrophobicContact CD1-CD2 4.48Å; F506-L569 HydrophobicContact CD2-CD1 3.64Å; F506-L569 HydrophobicContact CD2-CD2 4.17Å; F506-L569 HydrophobicContact CE1-CD1 4.03Å; F506-L569 HydrophobicContact CE1-CD2 3.83Å; F506-L569 HydrophobicContact CE2-CD1 3.82Å; F506-L569 HydrophobicContact CE2-CD2 3.45Å; F506-L569 VanDerWaalsContact CE2-CD2 3.45Å; F506-L569 HydrophobicContact CE2-CG 4.28Å; F506-L569 HydrophobicContact CG-CD1 3.69Å; F506-L569 HydrophobicContact CZ-CD1 4.04Å; F506-L569 HydrophobicContact CZ-CD2 3.27Å; F506-L569 HydrophobicContact CZ-CG 4.32Å
507	Y	96.6	Very high	95.9	Very high	17 Å²	17	30.3 Å²	30.3	7%	0.067	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.6	173.9	176.7	-113.3	0	0	0	111.3	H450 V451 R509 H513 I514 V527	H450-Y507 WeakPolarHBondContact O-CD1 3.49Å; V451-Y507 HydrophobicContact CG1-CD2 4.48Å; V451-Y507 HydrophobicContact CG1-CE1 4.48Å; V451-Y507 HydrophobicContact CG1-CE2 4.12Å; V451-Y507 HydrophobicContact CG2-CD2 4.23Å; V451-Y507 HydrophobicContact CG2-CG 4.45Å; Y507-R509 HydrophobicContact CD1-CG 3.97Å; Y507-R509 HydrophobicContact CE1-CG 3.68Å; Y507-H513 VanDerWaalsContact CD2-O 3.27Å; Y507-H513 WeakPolarHBondContact CD2-O 3.11Å; Y507-I514 HydrophobicContact CD2-CG1 3.85Å; Y507-V527 HydrophobicContact CD2-CG2 4.2Å; Y507-V527 HydrophobicContact CE2-CG2 3.84Å
508	D	94.1	Very high	96	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.064	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	116.8	173.4	-163.9	-21.2	0	0	0	110.9	F506 R510 S512 H513 Y515	F506-D508 HydrophobicContact CE2-CB 3.87Å; D508-R510 PolarHBondContact O-N 2.79Å; D508-R510 VanDerWaalsContact OD1-CB 3.23Å; D508-R510 WeakPolarHBondContact OD1-CB 3.41Å; D508-R510 VanDerWaalsContact OD1-CG 3.23Å; D508-R510 WeakPolarHBondContact OD1-CG 3.28Å; D508-R510 IonicContact OD1-CZ 3.36Å; D508-R510 PolarHBondContact OD1-N 2.76Å; D508-R510 IonicContact OD1-NE 3.02Å; D508-R510 PolarHBondContact OD1-NE 3.42Å; D508-R510 IonicContact OD2-CZ 3.5Å; D508-R510 IonicContact OD2-NE 3.93Å; D508-R510 PolarHBondContact OD2-NE 3Å; D508-R510 IonicContact OD2-NH2 3.9Å; D508-R510 PolarHBondContact OD2-NH2 3.19Å; D508-S512 WeakPolarHBondContact O-CA 3.36Å; D508-S512 PolarHBondContact O-N 3.2Å; D508-H513 PolarHBondContact N-O 3.05Å; D508-H513 PolarHBondContact O-N 3.2Å; D508-Y515 HydrophobicContact CB-CD2 4.01Å; D508-Y515 HydrophobicContact CB-CE2 3.72Å
509	R	90.6	Very high	95.9	Very high	144 Å²	144	39.3 Å²	39.3	54%	0.543	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.6	178.8	-64.8	-179	64.1	-152.3	-4	113.4	Y507	Y507-R509 HydrophobicContact CD1-CG 3.97Å; Y507-R509 HydrophobicContact CE1-CG 3.68Å
510	R	90.1	Very high	96	Very high	119 Å²	119	39.5 Å²	39.5	45%	0.449	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-32.6	-176.2	-62.1	175.2	-64.7	176.1	5.5	112.1	D508 N595	D508-R510 PolarHBondContact O-N 2.79Å; D508-R510 VanDerWaalsContact OD1-CB 3.23Å; D508-R510 WeakPolarHBondContact OD1-CB 3.41Å; D508-R510 VanDerWaalsContact OD1-CG 3.23Å; D508-R510 WeakPolarHBondContact OD1-CG 3.28Å; D508-R510 IonicContact OD1-CZ 3.36Å; D508-R510 PolarHBondContact OD1-N 2.76Å; D508-R510 IonicContact OD1-NE 3.02Å; D508-R510 PolarHBondContact OD1-NE 3.42Å; D508-R510 IonicContact OD2-CZ 3.5Å; D508-R510 IonicContact OD2-NE 3.93Å; D508-R510 PolarHBondContact OD2-NE 3Å; D508-R510 IonicContact OD2-NH2 3.9Å; D508-R510 PolarHBondContact OD2-NH2 3.19Å; R510-N595 PolarHBondContact NH1-OD1 3.43Å; R510-N595 PolarHBondContact NH2-OD1 2.91Å
511	D	91.7	Very high	96.2	Very high	43 Å²	43	41.1 Å²	41.1	23%	0.23	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	4.3	-176.9	59.5	19.4	0	0	0	113.3	H513 Y515	D511-H513 VanDerWaalsContact C-N 3.27Å; D511-H513 VanDerWaalsContact CG-ND1 3.27Å; D511-H513 PolarHBondContact O-CE1 2.84Å; D511-H513 PolarHBondContact O-N 2.86Å; D511-H513 PolarHBondContact O-ND1 2.92Å; D511-H513 WeakPolarHBondContact OD1-CB 3.41Å; D511-H513 IonicContact OD1-CG 3.2Å; D511-H513 PolarHBondContact OD1-N 2.83Å; D511-H513 VanDerWaalsContact OD1-N 3.11Å; D511-H513 IonicContact OD1-ND1 3.22Å; D511-H513 PolarHBondContact OD1-ND1 3.24Å; D511-H513 IonicContact OD2-ND1 3.69Å; D511-Y515 PolarHBondContact OD2-OH 3.01Å
512	S	93.8	Very high	96.3	Very high	23 Å²	23	38.4 Å²	38.4	16%	0.161	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	29.9	-178.8	-55.8	0	0	0	0	114	D508 V527 E528	D508-S512 WeakPolarHBondContact O-CA 3.36Å; D508-S512 PolarHBondContact O-N 3.2Å; S512-V527 WeakPolarHBondContact O-CB 3.16Å; S512-V527 PolarHBondContact O-N 3.46Å; S512-E528 WeakPolarHBondContact CB-OE1 3.49Å; S512-E528 PolarHBondContact OG-OE1 3.23Å; S512-E528 VanDerWaalsContact OG-OE1 3.1Å
513	H	96.3	Very high	96.3	Very high	36 Å²	36	40.1 Å²	40.1	17%	0.167	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.9	176.5	-65.1	78.9	0	0	0	112.8	Y507 D508 D511 Y515 A524 F525 S526	Y507-H513 VanDerWaalsContact CD2-O 3.27Å; Y507-H513 WeakPolarHBondContact CD2-O 3.11Å; D508-H513 PolarHBondContact N-O 3.05Å; D508-H513 PolarHBondContact O-N 3.2Å; D511-H513 VanDerWaalsContact C-N 3.27Å; D511-H513 VanDerWaalsContact CG-ND1 3.27Å; D511-H513 PolarHBondContact O-CE1 2.84Å; D511-H513 PolarHBondContact O-N 2.86Å; D511-H513 PolarHBondContact O-ND1 2.92Å; D511-H513 WeakPolarHBondContact OD1-CB 3.41Å; D511-H513 IonicContact OD1-CG 3.2Å; D511-H513 PolarHBondContact OD1-N 2.83Å; D511-H513 VanDerWaalsContact OD1-N 3.11Å; D511-H513 IonicContact OD1-ND1 3.22Å; D511-H513 PolarHBondContact OD1-ND1 3.24Å; D511-H513 IonicContact OD2-ND1 3.69Å; H513-Y515 HydrophobicContact CB-CD2 4.21Å; H513-Y515 HydrophobicContact CB-CE2 3.76Å; H513-A524 HydrophobicContact CB-CB 4.41Å; H513-F525 CarbonylContact C-O 3.6Å; H513-F525 VanDerWaalsContact CA-O 3.22Å; H513-F525 WeakPolarHBondContact CA-O 3.48Å; H513-S526 VanDerWaalsContact CD2-CA 3.44Å; H513-S526 WeakPolarHBondContact CD2-CA 3.35Å; H513-S526 PolarHBondContact CD2-N 2.87Å
514	I	97.9	Very high	96.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.6	161.1	-55.5	166.5	0	0	0	107.3	V449 V451 F495 A505 F506 Y507 F516 F525 V527	V449-I514 HydrophobicContact CG1-CD1 4.04Å; V449-I514 HydrophobicContact CG1-CG1 3.98Å; V449-I514 HydrophobicContact CG1-CG2 3.99Å; V449-I514 HydrophobicContact CG2-CG2 3.99Å; V451-I514 HydrophobicContact CG2-CD1 3.81Å; V451-I514 HydrophobicContact CG2-CG1 4.19Å; F495-I514 HydrophobicContact CD1-CD1 4.44Å; F495-I514 HydrophobicContact CE1-CD1 3.68Å; F495-I514 HydrophobicContact CZ-CD1 4.46Å; A505-I514 HydrophobicContact CB-CG2 4.31Å; F506-I514 CarbonylContact O-C 3.53Å; F506-I514 WeakPolarHBondContact O-CA 3.49Å; Y507-I514 HydrophobicContact CD2-CG1 3.85Å; I514-F516 HydrophobicContact CB-CD2 4.36Å; I514-F516 HydrophobicContact CB-CE2 3.74Å; I514-F516 HydrophobicContact CB-CZ 4.19Å; I514-F516 HydrophobicContact CD1-CZ 4.48Å; I514-F516 HydrophobicContact CG2-CD2 3.91Å; I514-F516 HydrophobicContact CG2-CE1 4.09Å; I514-F516 HydrophobicContact CG2-CE2 3.42Å; I514-F516 VanDerWaalsContact CG2-CE2 3.42Å; I514-F516 HydrophobicContact CG2-CG 4.45Å; I514-F516 HydrophobicContact CG2-CZ 3.53Å; I514-F525 HydrophobicContact CB-CB 4.44Å; I514-F525 PolarHBondContact N-O 3.18Å; I514-F525 PolarHBondContact O-N 2.84Å; I514-V527 HydrophobicContact CD1-CG2 3.83Å; I514-V527 HydrophobicContact CG1-CG2 3.7Å
515	Y	98.3	Very high	96.3	Very high	15 Å²	15	38.1 Å²	38.1	6%	0.059	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.7	175.1	-72.2	-97.4	0	0	0	108.8	A505 F506 D508 D511 H513 V522 Y523 A524 F536 V543	A505-Y515 CarbonylContact C-O 3.56Å; A505-Y515 WeakPolarHBondContact CA-O 3.41Å; F506-Y515 HydrophobicContact CE1-CD2 4.42Å; F506-Y515 HydrophobicContact CE1-CG 4.12Å; F506-Y515 HydrophobicContact CE2-CD2 4.07Å; F506-Y515 AromaticContact CZ-CD2 3.76Å; F506-Y515 HydrophobicContact CZ-CD2 3.76Å; F506-Y515 AromaticContact CZ-CG 3.85Å; F506-Y515 HydrophobicContact CZ-CG 3.85Å; F506-Y515 PolarHBondContact N-O 3.31Å; F506-Y515 PolarHBondContact O-N 2.9Å; D508-Y515 HydrophobicContact CB-CD2 4.01Å; D508-Y515 HydrophobicContact CB-CE2 3.72Å; D511-Y515 PolarHBondContact OD2-OH 3.01Å; H513-Y515 HydrophobicContact CB-CD2 4.21Å; H513-Y515 HydrophobicContact CB-CE2 3.76Å; Y515-V522 HydrophobicContact CD1-CG1 3.77Å; Y515-Y523 CarbonylContact C-O 3.57Å; Y515-Y523 WeakPolarHBondContact CA-O 3.31Å; Y515-A524 HydrophobicContact CD1-CB 3.96Å; Y515-A524 HydrophobicContact CE1-CB 3.72Å; Y515-F536 HydrophobicContact CE1-CE1 4.16Å; Y515-F536 AromaticContact CE1-CZ 3.91Å; Y515-F536 HydrophobicContact CE1-CZ 3.91Å; Y515-V543 HydrophobicContact CE1-CG1 4.3Å
516	F	98.6	Very high	96.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.1	176	-64.5	-89.6	0	0	0	110.3	F462 F495 I498 I502 A505 I514 V522 Y523 F525	F462-F516 HydrophobicContact CD1-CE1 4.42Å; F462-F516 AromaticContact CE1-CE1 3.8Å; F462-F516 HydrophobicContact CE1-CE1 3.8Å; F462-F516 HydrophobicContact CE1-CZ 4.32Å; F462-F516 HydrophobicContact CE2-CE1 4.48Å; F462-F516 AromaticContact CZ-CE1 3.83Å; F462-F516 HydrophobicContact CZ-CE1 3.83Å; F462-F516 HydrophobicContact CZ-CZ 4.18Å; F495-F516 HydrophobicContact CB-CZ 4.45Å; F495-F516 HydrophobicContact CD1-CE2 4.16Å; F495-F516 AromaticContact CD1-CZ 3.79Å; F495-F516 HydrophobicContact CD1-CZ 3.79Å; F495-F516 HydrophobicContact CD2-CZ 4.44Å; F495-F516 HydrophobicContact CE1-CZ 4.11Å; F495-F516 AromaticContact CG-CZ 3.97Å; F495-F516 HydrophobicContact CG-CZ 3.97Å; I498-F516 HydrophobicContact CD1-CD2 3.61Å; I498-F516 HydrophobicContact CD1-CE2 4.11Å; I498-F516 HydrophobicContact CD1-CG 4.3Å; I498-F516 HydrophobicContact CG1-CD2 3.8Å; I498-F516 HydrophobicContact CG1-CE2 3.86Å; I498-F516 HydrophobicContact CG1-CG 4.43Å; I498-F516 HydrophobicContact CG2-CB 4.01Å; I498-F516 HydrophobicContact CG2-CD1 3.89Å; I498-F516 HydrophobicContact CG2-CD2 3.93Å; I498-F516 HydrophobicContact CG2-CE1 4.31Å; I498-F516 HydrophobicContact CG2-CE2 4.33Å; I498-F516 HydrophobicContact CG2-CG 3.68Å; I502-F516 HydrophobicContact CD1-CD1 3.67Å; I502-F516 HydrophobicContact CD1-CE1 4.02Å; I502-F516 HydrophobicContact CG2-CB 4.43Å; I502-F516 HydrophobicContact CG2-CD1 4.05Å; A505-F516 HydrophobicContact CB-CD1 3.6Å; A505-F516 HydrophobicContact CB-CE1 3.96Å; A505-F516 HydrophobicContact CB-CG 4.23Å; I514-F516 HydrophobicContact CB-CD2 4.36Å; I514-F516 HydrophobicContact CB-CE2 3.74Å; I514-F516 HydrophobicContact CB-CZ 4.19Å; I514-F516 HydrophobicContact CD1-CZ 4.48Å; I514-F516 HydrophobicContact CG2-CD2 3.91Å; I514-F516 HydrophobicContact CG2-CE1 4.09Å; I514-F516 HydrophobicContact CG2-CE2 3.42Å; I514-F516 VanDerWaalsContact CG2-CE2 3.42Å; I514-F516 HydrophobicContact CG2-CG 4.45Å; I514-F516 HydrophobicContact CG2-CZ 3.53Å; F516-V522 CarbonylContact O-C 3.53Å; F516-V522 WeakPolarHBondContact O-CA 3.32Å; F516-Y523 PolarHBondContact N-O 2.77Å; F516-Y523 PolarHBondContact O-N 2.88Å; F516-F525 HydrophobicContact CD2-CB 4.09Å; F516-F525 HydrophobicContact CE2-CB 3.69Å; F516-F525 HydrophobicContact CE2-CG 4.3Å
517	F	98.4	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.4	177.7	-63.6	-97.5	0	0	0	109.7	D503 S504 F506 V522 I540 F544 I557 A560 L571	D503-F517 PolarHBondContact N-O 2.96Å; S504-F517 PolarHBondContact O-N 3.13Å; F506-F517 AromaticContact CD1-CE2 3.71Å; F506-F517 HydrophobicContact CD1-CE2 3.71Å; F506-F517 HydrophobicContact CD1-CZ 4.23Å; F506-F517 AromaticContact CE1-CE2 3.7Å; F506-F517 HydrophobicContact CE1-CE2 3.7Å; F506-F517 AromaticContact CE1-CZ 3.8Å; F506-F517 HydrophobicContact CE1-CZ 3.8Å; F517-V522 HydrophobicContact CD1-CG2 3.82Å; F517-V522 HydrophobicContact CE1-CG2 3.74Å; F517-I540 HydrophobicContact CD1-CD1 4.03Å; F517-I540 HydrophobicContact CE1-CD1 3.95Å; F517-I540 HydrophobicContact CE1-CG1 4.35Å; F517-F544 HydrophobicContact CE1-CD2 4.22Å; F517-F544 AromaticContact CE1-CE2 3.77Å; F517-F544 HydrophobicContact CE1-CE2 3.77Å; F517-F544 HydrophobicContact CZ-CD2 4.45Å; F517-F544 AromaticContact CZ-CE2 3.63Å; F517-F544 HydrophobicContact CZ-CE2 3.63Å; F517-F544 HydrophobicContact CZ-CZ 4.08Å; F517-I557 HydrophobicContact CB-CB 4.44Å; F517-I557 HydrophobicContact CD1-CB 4.24Å; F517-I557 HydrophobicContact CD1-CG1 3.72Å; F517-I557 HydrophobicContact CE1-CG1 4.15Å; F517-I557 HydrophobicContact CG-CB 4.32Å; F517-I557 HydrophobicContact CG-CG1 4.29Å; F517-A560 HydrophobicContact CD2-CB 4.24Å; F517-A560 HydrophobicContact CE2-CB 3.74Å; F517-A560 HydrophobicContact CZ-CB 4.28Å; F517-L571 HydrophobicContact CE1-CD2 4.42Å; F517-L571 HydrophobicContact CZ-CD2 3.89Å
518	R	97.5	Very high	95.7	Very high	76 Å²	76	45.4 Å²	45.4	29%	0.287	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	112.8	168.9	-175.7	179.2	-179.6	171.8	8.6	109.2	P499 S500 P501 A520 Q521 Y523	P499-R518 VanDerWaalsContact CB-NH1 3.31Å; P499-R518 HydrophobicContact CG-CB 4.12Å; S500-R518 PolarHBondContact O-NH1 2.54Å; S500-R518 PolarHBondContact O-NH2 3.23Å; P501-R518 VanDerWaalsContact O-CD 3.32Å; P501-R518 WeakPolarHBondContact O-CD 3.44Å; P501-R518 PolarHBondContact O-NE 2.86Å; R518-A520 PolarHBondContact O-N 3.27Å; R518-Q521 PolarHBondContact N-O 3.05Å; R518-Q521 PolarHBondContact O-N 3.44Å; R518-Y523 HydrophobicContact CB-CE2 4.26Å
519	R	95.8	Very high	95.7	Very high	176 Å²	176	49.3 Å²	49.3	66%	0.664	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	-136.5	-169.2	-56.7	175.8	175.5	169.4	-3.7	108.7	D503 Q521 G555	D503-R519 WeakPolarHBondContact OD2-CA 3.42Å; D503-R519 PolarHBondContact OD2-N 3.17Å; R519-Q521 PolarHBondContact O-N 2.95Å; R519-G555 CarbonylContact C-O 3.46Å; R519-G555 CarbonylContact O-C 3.58Å
520	A	96.5	Very high	95.8	Very high	25 Å²	25	46 Å²	46	21%	0.207	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	10.3	178.7	0	0	0	0	0	114.8	R518 H539 I540	R518-A520 PolarHBondContact O-N 3.27Å; A520-H539 WeakPolarHBondContact O-CA 3.45Å; A520-I540 HydrophobicContact CB-CG2 4.44Å; A520-I540 PolarHBondContact O-N 2.9Å
521	Q	98	Very high	96.1	Very high	63 Å²	63	42.8 Å²	42.8	29%	0.294	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.6	-177.8	-65	-66.7	-39.5	0	0	111.4	R518 R519 Y523 K538	R518-Q521 PolarHBondContact N-O 3.05Å; R518-Q521 PolarHBondContact O-N 3.44Å; R519-Q521 PolarHBondContact O-N 2.95Å; Q521-Y523 HydrophobicContact CB-CD2 4.47Å; Q521-Y523 HydrophobicContact CB-CE2 3.65Å; Q521-K538 WeakPolarHBondContact CA-O 3.44Å; Q521-K538 VanDerWaalsContact OE1-C 3.24Å; Q521-K538 PolarHBondContact OE1-O 3.06Å
522	V	98.4	Very high	96.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136	174.8	-177	0	0	0	0	108.3	Y515 F516 F517 F536 P537 K538 I540 V543 F544	Y515-V522 HydrophobicContact CD1-CG1 3.77Å; F516-V522 CarbonylContact O-C 3.53Å; F516-V522 WeakPolarHBondContact O-CA 3.32Å; F517-V522 HydrophobicContact CD1-CG2 3.82Å; F517-V522 HydrophobicContact CE1-CG2 3.74Å; V522-F536 HydrophobicContact CG1-CE1 4.33Å; V522-F536 WeakPolarHBondContact O-CD1 3.38Å; V522-P537 VanDerWaalsContact O-CA 3.24Å; V522-P537 WeakPolarHBondContact O-CA 3.27Å; V522-P537 WeakPolarHBondContact O-CB 3.41Å; V522-K538 PolarHBondContact N-O 3.25Å; V522-K538 PolarHBondContact O-N 3.46Å; V522-I540 HydrophobicContact CG2-CB 3.93Å; V522-I540 HydrophobicContact CG2-CG1 3.96Å; V522-V543 HydrophobicContact CB-CG2 4.1Å; V522-V543 HydrophobicContact CG1-CG1 4.35Å; V522-V543 HydrophobicContact CG1-CG2 4.42Å; V522-V543 HydrophobicContact CG2-CB 4.49Å; V522-V543 HydrophobicContact CG2-CG2 4.43Å; V522-F544 HydrophobicContact CG1-CE2 4.42Å; V522-F544 HydrophobicContact CG2-CD2 4.48Å; V522-F544 HydrophobicContact CG2-CE2 4.34Å
523	Y	98.5	Very high	96.5	Very high	39 Å²	39	43 Å²	43	15%	0.153	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.4	178.5	-61	-107.5	0	0	0	108.1	I498 P499 Y515 F516 R518 Q521 L532 P537	I498-Y523 HydrophobicContact CD1-CG 4.47Å; P499-Y523 HydrophobicContact CG-CD1 4.18Å; P499-Y523 HydrophobicContact CG-CD2 3.86Å; P499-Y523 HydrophobicContact CG-CE1 3.83Å; P499-Y523 HydrophobicContact CG-CE2 3.5Å; P499-Y523 HydrophobicContact CG-CG 4.21Å; P499-Y523 VanDerWaalsContact CG-CZ 3.49Å; Y515-Y523 CarbonylContact C-O 3.57Å; Y515-Y523 WeakPolarHBondContact CA-O 3.31Å; F516-Y523 PolarHBondContact N-O 2.77Å; F516-Y523 PolarHBondContact O-N 2.88Å; R518-Y523 HydrophobicContact CB-CE2 4.26Å; Q521-Y523 HydrophobicContact CB-CD2 4.47Å; Q521-Y523 HydrophobicContact CB-CE2 3.65Å; Y523-L532 HydrophobicContact CD1-CD1 4.1Å; Y523-P537 HydrophobicContact CD1-CB 3.67Å; Y523-P537 HydrophobicContact CD1-CG 4.16Å; Y523-P537 HydrophobicContact CD2-CB 4.25Å; Y523-P537 HydrophobicContact CE1-CB 3.46Å; Y523-P537 VanDerWaalsContact CE1-CB 3.46Å; Y523-P537 HydrophobicContact CE1-CG 3.61Å; Y523-P537 HydrophobicContact CE2-CB 4.04Å; Y523-P537 HydrophobicContact CG-CB 4.04Å
524	A	98.3	Very high	96.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.6	173.8	0	0	0	0	0	109.8	H513 Y515 L532 A533 F536	H513-A524 HydrophobicContact CB-CB 4.41Å; Y515-A524 HydrophobicContact CD1-CB 3.96Å; Y515-A524 HydrophobicContact CE1-CB 3.72Å; A524-L532 WeakPolarHBondContact O-CD1 3.5Å; A524-A533 HydrophobicContact CB-CB 3.99Å; A524-A533 VanDerWaalsContact O-CB 3.27Å; A524-A533 WeakPolarHBondContact O-CB 3.42Å; A524-A533 PolarHBondContact O-N 2.82Å; A524-F536 HydrophobicContact CB-CD1 3.8Å; A524-F536 HydrophobicContact CB-CD2 3.6Å; A524-F536 HydrophobicContact CB-CE1 3.73Å; A524-F536 HydrophobicContact CB-CE2 3.52Å; A524-F536 HydrophobicContact CB-CG 3.73Å; A524-F536 HydrophobicContact CB-CZ 3.59Å
525	F	98	Very high	96.3	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.4	177.9	-172.6	-95.1	0	0	0	110.1	F495 P496 I498 H513 I514 F516 V527 N530	F495-F525 HydrophobicContact CB-CD2 4.39Å; F495-F525 HydrophobicContact CB-CE2 4.19Å; F495-F525 HydrophobicContact CB-CZ 4.41Å; F495-F525 AromaticContact CD1-CD1 3.8Å; F495-F525 HydrophobicContact CD1-CD1 3.8Å; F495-F525 AromaticContact CD1-CE1 3.7Å; F495-F525 HydrophobicContact CD1-CE1 3.7Å; F495-F525 HydrophobicContact CD1-CE2 4.47Å; F495-F525 HydrophobicContact CD1-CG 4.22Å; F495-F525 HydrophobicContact CD1-CZ 4.04Å; F495-F525 HydrophobicContact CE1-CD1 4.4Å; F495-F525 HydrophobicContact CE1-CE1 4.3Å; P496-F525 HydrophobicContact CG-CE2 4.31Å; I498-F525 HydrophobicContact CD1-CB 4.06Å; I498-F525 HydrophobicContact CD1-CD2 4.16Å; I498-F525 HydrophobicContact CG1-CB 4.35Å; I498-F525 HydrophobicContact CG1-CD2 3.87Å; I498-F525 HydrophobicContact CG1-CG 4.4Å; H513-F525 CarbonylContact C-O 3.6Å; H513-F525 VanDerWaalsContact CA-O 3.22Å; H513-F525 WeakPolarHBondContact CA-O 3.48Å; I514-F525 HydrophobicContact CB-CB 4.44Å; I514-F525 PolarHBondContact N-O 3.18Å; I514-F525 PolarHBondContact O-N 2.84Å; F516-F525 HydrophobicContact CD2-CB 4.09Å; F516-F525 HydrophobicContact CE2-CB 3.69Å; F516-F525 HydrophobicContact CE2-CG 4.3Å; F525-V527 PolarHBondContact O-N 3.19Å; F525-N530 HydrophobicContact CZ-CB 4.41Å; F525-N530 WeakPolarHBondContact CZ-OD1 3.07Å
526	S	95.9	Very high	96.3	Very high	12 Å²	12	50.6 Å²	50.6	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.6	177.8	174.5	0	0	0	0	109.6	H513 E528 T529 N530 S531	H513-S526 VanDerWaalsContact CD2-CA 3.44Å; H513-S526 WeakPolarHBondContact CD2-CA 3.35Å; H513-S526 PolarHBondContact CD2-N 2.87Å; S526-E528 PolarHBondContact O-N 3.01Å; S526-T529 WeakPolarHBondContact CB-OG1 3.35Å; S526-T529 PolarHBondContact OG-N 3.01Å; S526-T529 PolarHBondContact OG-OG1 2.92Å; S526-N530 VanDerWaalsContact O-CA 3.28Å; S526-N530 WeakPolarHBondContact O-CA 3.43Å; S526-N530 PolarHBondContact O-N 2.85Å; S526-S531 PolarHBondContact N-O 3.23Å; S526-S531 PolarHBondContact O-N 2.91Å
527	V	93.4	Very high	96.2	Very high	14 Å²	14	53.5 Å²	53.5	9%	0.085	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-29	178.1	177	0	0	0	0	111.6	V451 Y507 S512 I514 F525	V451-V527 HydrophobicContact CG1-CG1 3.87Å; V451-V527 HydrophobicContact CG1-CG2 4.4Å; V451-V527 HydrophobicContact CG2-CG2 4.42Å; Y507-V527 HydrophobicContact CD2-CG2 4.2Å; Y507-V527 HydrophobicContact CE2-CG2 3.84Å; S512-V527 WeakPolarHBondContact O-CB 3.16Å; S512-V527 PolarHBondContact O-N 3.46Å; I514-V527 HydrophobicContact CD1-CG2 3.83Å; I514-V527 HydrophobicContact CG1-CG2 3.7Å; F525-V527 PolarHBondContact O-N 3.19Å
528	E	90.5	Very high	96.2	Very high	152 Å²	152	57.7 Å²	57.7	71%	0.71	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-44.1	-177.4	-64.4	-178.3	-176.9	0	0	112.3	S512 S526	S512-E528 WeakPolarHBondContact CB-OE1 3.49Å; S512-E528 PolarHBondContact OG-OE1 3.23Å; S512-E528 VanDerWaalsContact OG-OE1 3.1Å; S526-E528 PolarHBondContact O-N 3.01Å
529	T	92.7	Very high	96.2	Very high	94 Å²	94	57.2 Å²	57.2	58%	0.577	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.4	179.4	63.1	0	0	0	0	113.2	S526 S531	S526-T529 WeakPolarHBondContact CB-OG1 3.35Å; S526-T529 PolarHBondContact OG-N 3.01Å; S526-T529 PolarHBondContact OG-OG1 2.92Å; T529-S531 VanDerWaalsContact C-N 3.29Å; T529-S531 PolarHBondContact O-N 3.47Å; T529-S531 PolarHBondContact OG1-OG 2.96Å
530	N	92.8	Very high	96.3	Very high	76 Å²	76	48.8 Å²	48.8	41%	0.406	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	44	-175.9	-163.1	63.2	0	0	0	113	F525 S526	F525-N530 HydrophobicContact CZ-CB 4.41Å; F525-N530 WeakPolarHBondContact CZ-OD1 3.07Å; S526-N530 VanDerWaalsContact O-CA 3.28Å; S526-N530 WeakPolarHBondContact O-CA 3.43Å; S526-N530 PolarHBondContact O-N 2.85Å
531	S	96.4	Very high	96.3	Very high	51 Å²	51	51.3 Å²	51.3	36%	0.357	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.9	-176.2	70.1	0	0	0	0	112.2	S526 T529 A533	S526-S531 PolarHBondContact N-O 3.23Å; S526-S531 PolarHBondContact O-N 2.91Å; T529-S531 VanDerWaalsContact C-N 3.29Å; T529-S531 PolarHBondContact O-N 3.47Å; T529-S531 PolarHBondContact OG1-OG 2.96Å; S531-A533 PolarHBondContact O-N 2.97Å
532	L	97.1	Very high	96.2	Very high	55 Å²	55	54 Å²	54	29%	0.288	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	129.4	172.1	-172	72	0	0	0	109.9	I498 Y523 A524 F536	I498-L532 HydrophobicContact CD1-CD1 3.79Å; Y523-L532 HydrophobicContact CD1-CD1 4.1Å; A524-L532 WeakPolarHBondContact O-CD1 3.5Å; L532-F536 HydrophobicContact CD1-CB 4.29Å; L532-F536 WeakPolarHBondContact CD2-O 3.17Å; L532-F536 HydrophobicContact CG-CB 4.42Å
533	A	97.1	Very high	96.2	Very high	16 Å²	16	54.6 Å²	54.6	13%	0.132	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-66.4	146.3	-179.2	0	0	0	0	0	111.7	A524 S531 G535 F536	A524-A533 HydrophobicContact CB-CB 3.99Å; A524-A533 VanDerWaalsContact O-CB 3.27Å; A524-A533 WeakPolarHBondContact O-CB 3.42Å; A524-A533 PolarHBondContact O-N 2.82Å; S531-A533 PolarHBondContact O-N 2.97Å; A533-G535 PolarHBondContact O-N 2.98Å; A533-F536 HydrophobicContact CB-CD2 4.05Å; A533-F536 PolarHBondContact O-N 3.19Å
534	S	95.3	Very high	96.1	Very high	126 Å²	126	52.8 Å²	52.8	88%	0.881	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	134.4	179.5	-174.2	0	0	0	0	111.8
535	G	95	Very high	96.1	Very high	49 Å²	49	54.5 Å²	54.5	51%	0.505	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	7.6	-179.6	0	0	0	0	0	115.3	A533 K538	A533-G535 PolarHBondContact O-N 2.98Å; G535-K538 WeakPolarHBondContact O-CE 3.49Å; G535-K538 WeakPolarHBondContact O-CG 3.46Å
536	F	97.4	Very high	96.1	Very high	37 Å²	37	55.9 Å²	55.9	16%	0.162	32%	0.32	C	S	.	.			trans	-105.5	152.5	169.6	-75.5	-94.2	0	0	0	111.2	Y515 V522 A524 L532 A533 K538 V543	Y515-F536 HydrophobicContact CE1-CE1 4.16Å; Y515-F536 AromaticContact CE1-CZ 3.91Å; Y515-F536 HydrophobicContact CE1-CZ 3.91Å; V522-F536 HydrophobicContact CG1-CE1 4.33Å; V522-F536 WeakPolarHBondContact O-CD1 3.38Å; A524-F536 HydrophobicContact CB-CD1 3.8Å; A524-F536 HydrophobicContact CB-CD2 3.6Å; A524-F536 HydrophobicContact CB-CE1 3.73Å; A524-F536 HydrophobicContact CB-CE2 3.52Å; A524-F536 HydrophobicContact CB-CG 3.73Å; A524-F536 HydrophobicContact CB-CZ 3.59Å; L532-F536 HydrophobicContact CD1-CB 4.29Å; L532-F536 WeakPolarHBondContact CD2-O 3.17Å; L532-F536 HydrophobicContact CG-CB 4.42Å; A533-F536 HydrophobicContact CB-CD2 4.05Å; A533-F536 PolarHBondContact O-N 3.19Å; F536-K538 HydrophobicContact CD1-CB 4.37Å; F536-K538 HydrophobicContact CD1-CG 4.18Å; F536-K538 HydrophobicContact CE1-CB 4.41Å; F536-K538 HydrophobicContact CE1-CD 4.35Å; F536-K538 HydrophobicContact CE1-CG 4.32Å; F536-K538 HydrophobicContact CZ-CD 4.41Å; F536-V543 HydrophobicContact CE1-CG2 3.96Å
537	P	97.8	Very high	96.1	Very high	60 Å²	60	58 Å²	58	39%	0.39	33%	0.332	S	S	.	.	S	Bend	cis	-72.8	159.1	3.5	29.3	-34.7	0	0	0	114.8	V522 Y523	V522-P537 VanDerWaalsContact O-CA 3.24Å; V522-P537 WeakPolarHBondContact O-CA 3.27Å; V522-P537 WeakPolarHBondContact O-CB 3.41Å; Y523-P537 HydrophobicContact CD1-CB 3.67Å; Y523-P537 HydrophobicContact CD1-CG 4.16Å; Y523-P537 HydrophobicContact CD2-CB 4.25Å; Y523-P537 HydrophobicContact CE1-CB 3.46Å; Y523-P537 VanDerWaalsContact CE1-CB 3.46Å; Y523-P537 HydrophobicContact CE1-CG 3.61Å; Y523-P537 HydrophobicContact CE2-CB 4.04Å; Y523-P537 HydrophobicContact CG-CB 4.04Å
538	K	98.1	Very high	96.2	Very high	88 Å²	88	62.5 Å²	62.5	38%	0.383	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.8	173.6	-66.3	-172.1	-179.6	-176.3	0	110.7	Q521 V522 G535 F536 V543	Q521-K538 WeakPolarHBondContact CA-O 3.44Å; Q521-K538 VanDerWaalsContact OE1-C 3.24Å; Q521-K538 PolarHBondContact OE1-O 3.06Å; V522-K538 PolarHBondContact N-O 3.25Å; V522-K538 PolarHBondContact O-N 3.46Å; G535-K538 WeakPolarHBondContact O-CE 3.49Å; G535-K538 WeakPolarHBondContact O-CG 3.46Å; F536-K538 HydrophobicContact CD1-CB 4.37Å; F536-K538 HydrophobicContact CD1-CG 4.18Å; F536-K538 HydrophobicContact CE1-CB 4.41Å; F536-K538 HydrophobicContact CE1-CD 4.35Å; F536-K538 HydrophobicContact CE1-CG 4.32Å; F536-K538 HydrophobicContact CZ-CD 4.41Å; K538-V543 HydrophobicContact CB-CG2 3.62Å; K538-V543 HydrophobicContact CD-CG2 4.2Å; K538-V543 HydrophobicContact CG-CG2 4.48Å
539	H	97.8	Very high	96.3	Very high	66 Å²	66	61 Å²	61	31%	0.306	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	142.5	172	-165.5	-96.5	0	0	0	110.3	A520 R541 D542 V543	A520-H539 WeakPolarHBondContact O-CA 3.45Å; H539-R541 PolarHBondContact ND1-N 2.73Å; H539-R541 PolarHBondContact O-N 3.36Å; H539-D542 WeakPolarHBondContact CB-OD2 3.34Å; H539-D542 WeakPolarHBondContact O-CB 3.46Å; H539-D542 PolarHBondContact O-N 3.04Å; H539-V543 PolarHBondContact O-N 3.26Å
540	I	97.5	Very high	96.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-56.1	-38.8	-175.4	-172.2	170.4	0	0	0	112.5	F517 A520 V522 D542 V543 F544 I557	F517-I540 HydrophobicContact CD1-CD1 4.03Å; F517-I540 HydrophobicContact CE1-CD1 3.95Å; F517-I540 HydrophobicContact CE1-CG1 4.35Å; A520-I540 HydrophobicContact CB-CG2 4.44Å; A520-I540 PolarHBondContact O-N 2.9Å; V522-I540 HydrophobicContact CG2-CB 3.93Å; V522-I540 HydrophobicContact CG2-CG1 3.96Å; I540-D542 VanDerWaalsContact C-N 3.25Å; I540-D542 PolarHBondContact O-N 2.78Å; I540-V543 PolarHBondContact O-N 3.14Å; I540-V543 VanDerWaalsContact O-N 3.14Å; I540-F544 HydrophobicContact CG1-CD2 4.12Å; I540-F544 PolarHBondContact O-N 3.3Å; I540-I557 HydrophobicContact CD1-CD1 3.66Å; I540-I557 HydrophobicContact CD1-CG1 3.6Å
541	R	96.8	Very high	96.5	Very high	78 Å²	78	57.2 Å²	57.2	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-25.1	178.2	-58.8	-178.1	76.9	93.9	-1.8	113.6	H539 P545 D554	H539-R541 PolarHBondContact ND1-N 2.73Å; H539-R541 PolarHBondContact O-N 3.36Å; R541-P545 VanDerWaalsContact O-CA 3.28Å; R541-P545 WeakPolarHBondContact O-CA 2.82Å; R541-D554 WeakPolarHBondContact CD-OD1 3.47Å; R541-D554 IonicContact CZ-OD1 3.35Å; R541-D554 IonicContact NH1-OD1 2.68Å; R541-D554 PolarHBondContact NH1-OD1 2.95Å; R541-D554 IonicContact NH1-OD2 3.8Å; R541-D554 PolarHBondContact NH1-OD2 2.85Å
542	D	96.7	Very high	96.6	Very high	118 Å²	118	55.4 Å²	55.4	63%	0.631	34%	0.337	S	S	*	.	H	α-helix	trans	-78.9	-29.4	176.9	-56.8	-30.2	0	0	0	111.1	H539 I540	H539-D542 WeakPolarHBondContact CB-OD2 3.34Å; H539-D542 WeakPolarHBondContact O-CB 3.46Å; H539-D542 PolarHBondContact O-N 3.04Å; I540-D542 VanDerWaalsContact C-N 3.25Å; I540-D542 PolarHBondContact O-N 2.78Å
543	V	97	Very high	96.5	Very high	14 Å²	14	52.9 Å²	52.9	9%	0.085	32%	0.324	C	S	.	.	H	α-helix	trans	-88.7	-37.1	-179.9	-173.9	0	0	0	0	111.6	Y515 V522 F536 K538 H539 I540 N595	Y515-V543 HydrophobicContact CE1-CG1 4.3Å; V522-V543 HydrophobicContact CB-CG2 4.1Å; V522-V543 HydrophobicContact CG1-CG1 4.35Å; V522-V543 HydrophobicContact CG1-CG2 4.42Å; V522-V543 HydrophobicContact CG2-CB 4.49Å; V522-V543 HydrophobicContact CG2-CG2 4.43Å; F536-V543 HydrophobicContact CE1-CG2 3.96Å; K538-V543 HydrophobicContact CB-CG2 3.62Å; K538-V543 HydrophobicContact CD-CG2 4.2Å; K538-V543 HydrophobicContact CG-CG2 4.48Å; H539-V543 PolarHBondContact O-N 3.26Å; I540-V543 PolarHBondContact O-N 3.14Å; I540-V543 VanDerWaalsContact O-N 3.14Å; V543-N595 WeakPolarHBondContact O-CB 3.48Å
544	F	97.4	Very high	96.4	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	34%	0.335	C	S	.	.	S	Bend	trans	-128.4	71.2	-177.3	-61.3	-77.8	0	0	0	110.4	F506 F517 V522 I540 H552 L569 L571 V580 N595 L597	F506-F544 AromaticContact CE1-CZ 3.93Å; F506-F544 HydrophobicContact CE1-CZ 3.93Å; F506-F544 AromaticContact CZ-CZ 3.94Å; F506-F544 HydrophobicContact CZ-CZ 3.94Å; F517-F544 HydrophobicContact CE1-CD2 4.22Å; F517-F544 AromaticContact CE1-CE2 3.77Å; F517-F544 HydrophobicContact CE1-CE2 3.77Å; F517-F544 HydrophobicContact CZ-CD2 4.45Å; F517-F544 AromaticContact CZ-CE2 3.63Å; F517-F544 HydrophobicContact CZ-CE2 3.63Å; F517-F544 HydrophobicContact CZ-CZ 4.08Å; V522-F544 HydrophobicContact CG1-CE2 4.42Å; V522-F544 HydrophobicContact CG2-CD2 4.48Å; V522-F544 HydrophobicContact CG2-CE2 4.34Å; I540-F544 HydrophobicContact CG1-CD2 4.12Å; I540-F544 PolarHBondContact O-N 3.3Å; F544-H552 PolarHBondContact O-CD2 2.82Å; F544-H552 VanDerWaalsContact O-CD2 3.24Å; F544-H552 PolarHBondContact O-NE2 2.82Å; F544-L569 HydrophobicContact CE1-CD2 3.89Å; F544-L569 HydrophobicContact CZ-CD2 4.36Å; F544-L571 HydrophobicContact CB-CD1 4.43Å; F544-L571 HydrophobicContact CD1-CD1 4.33Å; F544-L571 HydrophobicContact CD2-CD1 4.31Å; F544-L571 HydrophobicContact CG-CD1 4.11Å; F544-V580 HydrophobicContact CD1-CG2 4.14Å; F544-V580 HydrophobicContact CE1-CG2 4.22Å; F544-N595 WeakPolarHBondContact CA-O 2.95Å; F544-N595 HydrophobicContact CD1-CB 3.93Å; F544-N595 HydrophobicContact CE1-CB 4.22Å; F544-L597 HydrophobicContact CB-CD1 4.03Å; F544-L597 HydrophobicContact CB-CD2 4.05Å; F544-L597 HydrophobicContact CB-CG 3.93Å; F544-L597 HydrophobicContact CD1-CD2 4.28Å
545	P	97.3	Very high	96.3	Very high	35 Å²	35	50.4 Å²	50.4	23%	0.227	30%	0.304	C	S	.	.			trans	-65.6	141.8	-177.1	27.2	-35.1	0	0	0	111.2	R541 P593 G596 L597	R541-P545 VanDerWaalsContact O-CA 3.28Å; R541-P545 WeakPolarHBondContact O-CA 2.82Å; P545-P593 HydrophobicContact CG-CB 3.78Å; P545-P593 HydrophobicContact CG-CG 4.03Å; P545-G596 CarbonylContact O-C 3.4Å; P545-G596 WeakPolarHBondContact O-CA 3.19Å; P545-L597 PolarHBondContact O-N 2.85Å
546	P	97.3	Very high	96.3	Very high	32 Å²	32	50.2 Å²	50.2	21%	0.208	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-72.9	143.7	177.3	33	-36	0	0	0	111.1	E548 D551 H552	P546-E548 WeakPolarHBondContact CB-O 3.25Å; P546-D551 VanDerWaalsContact CB-O 3.28Å; P546-D551 WeakPolarHBondContact CB-O 3.4Å; P546-H552 HydrophobicContact CB-CB 4.16Å; P546-H552 HydrophobicContact CG-CB 4.42Å
547	V	96.7	Very high	96.3	Very high	55 Å²	55	48.5 Å²	48.5	33%	0.333	29%	0.288	S	S	.	.	S	Bend	trans	-76.2	-34.6	171.2	173.7	0	0	0	0	110.6	V581 L592 P593 L597 M598	V547-V581 HydrophobicContact CG2-CG2 3.96Å; V547-L592 HydrophobicContact CG1-CD2 3.86Å; V547-L592 HydrophobicContact CG2-CD2 4.11Å; V547-P593 HydrophobicContact CG2-CG 4.49Å; V547-L597 VanDerWaalsContact CB-O 3.26Å; V547-L597 WeakPolarHBondContact CB-O 3.23Å; V547-L597 VanDerWaalsContact CG2-O 3.25Å; V547-L597 WeakPolarHBondContact CG2-O 3.38Å; V547-L597 PolarHBondContact N-O 2.95Å; V547-M598 HydrophobicContact CG2-SD 4.4Å
548	E	95.5	Very high	96.2	Very high	109 Å²	109	46.2 Å²	46.2	51%	0.509	27%	0.272	S	S	.	.	S	Bend	trans	-109.8	131.1	177.5	-174.5	169.9	166.3	0	0	110.6	P546 G550 D551 P599	P546-E548 WeakPolarHBondContact CB-O 3.25Å; E548-G550 PolarHBondContact O-N 2.77Å; E548-D551 HydrophobicContact CB-CB 4.28Å; E548-D551 PolarHBondContact O-N 3.47Å; E548-P599 HydrophobicContact CB-CG 4.22Å; E548-P599 WeakPolarHBondContact OE2-CG 3.26Å
549	S	93.8	Very high	96.2	Very high	122 Å²	122	42 Å²	42	85%	0.853	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	127.9	-175.7	-68.2	0	0	0	0	111	D551	S549-D551 VanDerWaalsContact C-N 3.32Å
550	G	93	Very high	96.2	Very high	70 Å²	70	39.1 Å²	39.1	72%	0.722	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.2	-14.4	-179.1	0	0	0	0	0	114.6	E548 H552	E548-G550 PolarHBondContact O-N 2.77Å; G550-H552 PolarHBondContact O-N 3.25Å
551	D	96.7	Very high	96.2	Very high	20 Å²	20	39.4 Å²	39.4	11%	0.107	24%	0.242	C	C	.	.			trans	-98.4	89.3	179.6	-170.2	10.5	0	0	0	111.9	P546 E548 S549 W578 P599 H600	P546-D551 VanDerWaalsContact CB-O 3.28Å; P546-D551 WeakPolarHBondContact CB-O 3.4Å; E548-D551 HydrophobicContact CB-CB 4.28Å; E548-D551 PolarHBondContact O-N 3.47Å; S549-D551 VanDerWaalsContact C-N 3.32Å; D551-W578 PolarHBondContact OD1-NE1 2.65Å; D551-P599 WeakPolarHBondContact OD2-CA 3.45Å; D551-H600 IonicContact OD1-CE1 3.4Å; D551-H600 IonicContact OD1-CG 3.92Å; D551-H600 IonicContact OD1-ND1 2.69Å; D551-H600 PolarHBondContact OD1-ND1 2.73Å; D551-H600 IonicContact OD2-CG 3.42Å; D551-H600 PolarHBondContact OD2-N 2.99Å; D551-H600 IonicContact OD2-ND1 2.59Å; D551-H600 PolarHBondContact OD2-ND1 3.05Å
552	H	97.3	Very high	96.1	Very high	13 Å²	13	38.6 Å²	38.6	6%	0.06	24%	0.241	C	C	.	.			trans	-149.9	142.9	-178.3	-173.8	-79	0	0	0	111.1	F544 P546 G550 D554	F544-H552 PolarHBondContact O-CD2 2.82Å; F544-H552 VanDerWaalsContact O-CD2 3.24Å; F544-H552 PolarHBondContact O-NE2 2.82Å; P546-H552 HydrophobicContact CB-CB 4.16Å; P546-H552 HydrophobicContact CG-CB 4.42Å; G550-H552 PolarHBondContact O-N 3.25Å; H552-D554 IonicContact CE1-OD1 2.82Å; H552-D554 IonicContact CG-OD1 3.57Å; H552-D554 PolarHBondContact ND1-N 3.16Å; H552-D554 IonicContact ND1-OD1 3.64Å; H552-D554 PolarHBondContact ND1-OD1 3.32Å; H552-D554 PolarHBondContact O-N 2.83Å
553	P	96.1	Very high	96	Very high	1 Å²	1	33 Å²	33	1%	0.006	21%	0.211	C	C	.	.			trans	-78.1	69.5	173.4	33.2	-33.2	0	0	0	110.8	I557 L571 K573 W578 L597	P553-I557 HydrophobicContact CB-CD1 3.59Å; P553-I557 HydrophobicContact CG-CD1 3.81Å; P553-I557 WeakPolarHBondContact O-CD1 3.28Å; P553-L571 HydrophobicContact CG-CB 4.48Å; P553-L571 HydrophobicContact CG-CD1 4.37Å; P553-K573 HydrophobicContact CB-CB 4.15Å; P553-K573 HydrophobicContact CB-CD 4.21Å; P553-W578 HydrophobicContact CB-CD2 3.97Å; P553-W578 HydrophobicContact CB-CE3 3.61Å; P553-W578 HydrophobicContact CB-CH2 3.9Å; P553-W578 HydrophobicContact CB-CZ2 4.19Å; P553-W578 HydrophobicContact CB-CZ3 3.62Å; P553-W578 HydrophobicContact CG-CD2 3.82Å; P553-W578 HydrophobicContact CG-CE3 3.84Å; P553-W578 HydrophobicContact CG-CG 4.21Å; P553-W578 HydrophobicContact CG-CZ3 4.35Å; P553-L597 HydrophobicContact CG-CD1 3.82Å
554	D	93.3	Very high	95.7	Very high	67 Å²	67	34.8 Å²	34.8	36%	0.358	22%	0.217	S	C	.	.			trans	-62.5	146.8	179.2	-70.6	-45	0	0	0	112.3	R541 H552 K573	R541-D554 WeakPolarHBondContact CD-OD1 3.47Å; R541-D554 IonicContact CZ-OD1 3.35Å; R541-D554 IonicContact NH1-OD1 2.68Å; R541-D554 PolarHBondContact NH1-OD1 2.95Å; R541-D554 IonicContact NH1-OD2 3.8Å; R541-D554 PolarHBondContact NH1-OD2 2.85Å; H552-D554 IonicContact CE1-OD1 2.82Å; H552-D554 IonicContact CG-OD1 3.57Å; H552-D554 PolarHBondContact ND1-N 3.16Å; H552-D554 IonicContact ND1-OD1 3.64Å; H552-D554 PolarHBondContact ND1-OD1 3.32Å; H552-D554 PolarHBondContact O-N 2.83Å; D554-K573 PolarHBondContact O-NZ 2.92Å
555	G	92.9	Very high	95.4	Very high	24 Å²	24	37 Å²	37	25%	0.247	23%	0.233	C	C	.	.	S	Bend	trans	82.7	-147.4	179.5	0	0	0	0	0	113.5	R519	R519-G555 CarbonylContact C-O 3.46Å; R519-G555 CarbonylContact O-C 3.58Å
556	S	95.4	Very high	95.1	Very high	45 Å²	45	38.9 Å²	38.9	32%	0.315	24%	0.238	S	C	.	.			trans	-71.1	129.6	-176.3	-68.9	0	0	0	0	112.1	D503 K573	D503-S556 WeakPolarHBondContact OD2-CA 3.18Å; D503-S556 WeakPolarHBondContact OD2-CB 3.38Å; D503-S556 PolarHBondContact OD2-OG 3.27Å; S556-K573 WeakPolarHBondContact O-CE 3.49Å
557	I	97.4	Very high	94.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	26%	0.26	C	S	.	.			trans	-91.7	133.4	175.7	-59.8	-57.1	0	0	0	108.8	D503 F517 I540 P553 A559 A560 L571	D503-I557 WeakPolarHBondContact CB-O 3.29Å; F517-I557 HydrophobicContact CB-CB 4.44Å; F517-I557 HydrophobicContact CD1-CB 4.24Å; F517-I557 HydrophobicContact CD1-CG1 3.72Å; F517-I557 HydrophobicContact CE1-CG1 4.15Å; F517-I557 HydrophobicContact CG-CB 4.32Å; F517-I557 HydrophobicContact CG-CG1 4.29Å; I540-I557 HydrophobicContact CD1-CD1 3.66Å; I540-I557 HydrophobicContact CD1-CG1 3.6Å; P553-I557 HydrophobicContact CB-CD1 3.59Å; P553-I557 HydrophobicContact CG-CD1 3.81Å; P553-I557 WeakPolarHBondContact O-CD1 3.28Å; I557-A559 WeakPolarHBondContact CG2-O 3.48Å; I557-A560 HydrophobicContact CG2-CB 4.29Å; I557-L571 HydrophobicContact CG2-CB 4.49Å
558	D	97.3	Very high	94.7	Very high	12 Å²	12	41 Å²	41	6%	0.064	25%	0.247	C	C	.	.	S	Bend	trans	-81.9	-42.5	-176.1	-64.2	-30.6	0	0	0	111.9	R383 L572 K573 G574	R383-D558 HydrophobicContact CG-CB 4.28Å; R383-D558 WeakPolarHBondContact CG-OD2 3.38Å; R383-D558 IonicContact CZ-OD1 3.27Å; R383-D558 IonicContact NE-OD1 3.96Å; R383-D558 PolarHBondContact NE-OD1 3.09Å; R383-D558 IonicContact NE-OD2 2.74Å; R383-D558 PolarHBondContact NE-OD2 2.77Å; R383-D558 IonicContact NH2-OD1 3.86Å; R383-D558 PolarHBondContact NH2-OD1 2.83Å; D558-L572 PolarHBondContact N-O 2.81Å; D558-K573 VanDerWaalsContact OD2-CA 3.32Å; D558-K573 WeakPolarHBondContact OD2-CA 3.41Å; D558-G574 PolarHBondContact OD2-N 3.07Å
559	A	97.8	Very high	94.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	144.7	173.5	0	0	0	0	0	110.2	V387 I557 L572	V387-A559 HydrophobicContact CB-CB 4.04Å; V387-A559 HydrophobicContact CG2-CB 3.88Å; I557-A559 WeakPolarHBondContact CG2-O 3.48Å; A559-L572 HydrophobicContact CB-CB 4.24Å; A559-L572 HydrophobicContact CB-CD1 4.5Å; A559-L572 PolarHBondContact N-O 3.45Å; A559-L572 PolarHBondContact O-N 2.82Å
560	A	97.8	Very high	94.9	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.4	175.3	0	0	0	0	0	107.3	S504 F506 F517 I557 F570 L571	S504-A560 WeakPolarHBondContact OG-CB 3.44Å; S504-A560 PolarHBondContact OG-N 2.72Å; F506-A560 WeakPolarHBondContact CB-O 3.38Å; F506-A560 HydrophobicContact CD1-CB 3.86Å; F517-A560 HydrophobicContact CD2-CB 4.24Å; F517-A560 HydrophobicContact CE2-CB 3.74Å; F517-A560 HydrophobicContact CZ-CB 4.28Å; I557-A560 HydrophobicContact CG2-CB 4.29Å; A560-F570 VanDerWaalsContact CA-O 3.32Å; A560-F570 WeakPolarHBondContact CA-O 3.38Å; A560-L571 HydrophobicContact CB-CD2 3.54Å
561	Y	97	Very high	95.2	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.027	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	151.9	-178	85.1	-73.3	0	0	0	113	V387 D389 T407 L569 F570 L572 W607	V387-Y561 HydrophobicContact CB-CD1 4.01Å; V387-Y561 HydrophobicContact CB-CE1 4.17Å; V387-Y561 HydrophobicContact CG1-CD1 3.82Å; V387-Y561 HydrophobicContact CG1-CE1 3.55Å; V387-Y561 HydrophobicContact CG1-CE2 4.31Å; V387-Y561 HydrophobicContact CG1-CG 4.33Å; V387-Y561 WeakPolarHBondContact O-CB 3.44Å; D389-Y561 WeakPolarHBondContact OD1-CE2 3.47Å; T407-Y561 HydrophobicContact CG2-CE2 4Å; Y561-L569 WeakPolarHBondContact O-CA 3.48Å; Y561-L569 VanDerWaalsContact O-CD1 3.31Å; Y561-L569 WeakPolarHBondContact O-CD1 3.48Å; Y561-F570 HydrophobicContact CD1-CB 4.11Å; Y561-F570 HydrophobicContact CE1-CB 3.82Å; Y561-F570 HydrophobicContact CE1-CD2 4.2Å; Y561-F570 HydrophobicContact CE1-CG 4.29Å; Y561-F570 PolarHBondContact N-O 2.84Å; Y561-F570 PolarHBondContact O-N 2.83Å; Y561-L572 HydrophobicContact CD1-CD1 4.02Å; Y561-L572 HydrophobicContact CE1-CD1 3.92Å; Y561-W607 WeakPolarHBondContact OH-CZ2 3.48Å
562	F	94.9	Very high	95.3	Very high	61 Å²	61	26.6 Å²	26.6	27%	0.268	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119	170.5	-172.9	-91.3	0	0	0	109.8	Y564 N567 L569	F562-Y564 HydrophobicContact CD1-CD2 4.13Å; F562-Y564 AromaticContact CD1-CE2 4Å; F562-Y564 HydrophobicContact CD1-CE2 4Å; F562-Y564 HydrophobicContact CD1-CG 4.43Å; F562-Y564 HydrophobicContact CE1-CD1 4.35Å; F562-Y564 HydrophobicContact CE1-CE1 4.43Å; F562-Y564 HydrophobicContact CE1-CG 4.44Å; F562-N567 WeakPolarHBondContact CZ-OD1 3.35Å; F562-L569 HydrophobicContact CD2-CB 4.34Å
563	S	94.2	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.1	174.2	176.3	0	0	0	0	110.3	D389 S565 H566 N567 A568	D389-S563 WeakPolarHBondContact OD2-CA 3.24Å; S563-S565 PolarHBondContact OG-OG 3.4Å; S563-H566 PolarHBondContact OG-N 2.96Å; S563-H566 PolarHBondContact OG-ND1 2.95Å; S563-N567 WeakPolarHBondContact O-CA 3.42Å; S563-N567 PolarHBondContact O-N 2.81Å; S563-A568 PolarHBondContact N-O 3.02Å; S563-A568 PolarHBondContact O-N 2.88Å; S563-A568 VanDerWaalsContact O-N 3.16Å
564	Y	91.1	Very high	95.3	Very high	52 Å²	52	31 Å²	31	20%	0.204	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-28.9	174	-72.1	-95.6	0	0	0	112	D389 I391 W452 F562	D389-Y564 HydrophobicContact CB-CD2 3.83Å; D389-Y564 PolarHBondContact OD2-N 2.8Å; I391-Y564 HydrophobicContact CD1-CD1 4.48Å; I391-Y564 HydrophobicContact CD1-CD2 3.93Å; I391-Y564 HydrophobicContact CD1-CE1 3.9Å; I391-Y564 HydrophobicContact CD1-CE2 3.28Å; I391-Y564 HydrophobicContact CD1-CG 4.49Å; I391-Y564 WeakPolarHBondContact CD1-OH 2.97Å; I391-Y564 HydrophobicContact CG1-CD2 4.34Å; I391-Y564 HydrophobicContact CG1-CE2 4.1Å; W452-Y564 HydrophobicContact CE3-CE1 4.26Å; W452-Y564 AromaticContact CZ3-CE1 3.95Å; W452-Y564 HydrophobicContact CZ3-CE1 3.95Å; F562-Y564 HydrophobicContact CD1-CD2 4.13Å; F562-Y564 AromaticContact CD1-CE2 4Å; F562-Y564 HydrophobicContact CD1-CE2 4Å; F562-Y564 HydrophobicContact CD1-CG 4.43Å; F562-Y564 HydrophobicContact CE1-CD1 4.35Å; F562-Y564 HydrophobicContact CE1-CE1 4.43Å; F562-Y564 HydrophobicContact CE1-CG 4.44Å
565	S	90.3	Very high	95.4	Very high	48 Å²	48	30 Å²	30	34%	0.336	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-42.1	174.8	44.1	0	0	0	0	111.2	N420 S563	N420-S565 PolarHBondContact OD1-OG 3.22Å; S563-S565 PolarHBondContact OG-OG 3.4Å
566	H	90.9	Very high	95.6	Very high	73 Å²	73	34 Å²	34	34%	0.338	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-9.1	-178.9	-57.4	91.5	0	0	0	113.7	S563 A568 F570 Q606	S563-H566 PolarHBondContact OG-N 2.96Å; S563-H566 PolarHBondContact OG-ND1 2.95Å; H566-A568 HydrophobicContact CB-CB 4.37Å; H566-A568 PolarHBondContact O-N 2.74Å; H566-F570 HydrophobicContact CB-CE2 3.8Å; H566-F570 HydrophobicContact CB-CZ 3.95Å; H566-F570 AromaticContact CG-CZ 3.96Å; H566-Q606 PolarHBondContact NE2-NE2 3.35Å; H566-Q606 VanDerWaalsContact NE2-NE2 3.13Å
567	N	91.8	Very high	95.7	Very high	126 Å²	126	32.1 Å²	32.1	67%	0.674	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	45	-173.2	-170.5	41.5	0	0	0	112.2	F562 S563	F562-N567 WeakPolarHBondContact CZ-OD1 3.35Å; S563-N567 WeakPolarHBondContact O-CA 3.42Å; S563-N567 PolarHBondContact O-N 2.81Å
568	A	94.3	Very high	95.7	Very high	7 Å²	7	32.7 Å²	32.7	6%	0.058	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152.1	-173.7	0	0	0	0	0	111.3	S563 H566 F570 R579	S563-A568 PolarHBondContact N-O 3.02Å; S563-A568 PolarHBondContact O-N 2.88Å; S563-A568 VanDerWaalsContact O-N 3.16Å; H566-A568 HydrophobicContact CB-CB 4.37Å; H566-A568 PolarHBondContact O-N 2.74Å; A568-F570 HydrophobicContact CB-CE2 4.14Å; A568-F570 HydrophobicContact CB-CZ 4.46Å; A568-R579 HydrophobicContact CB-CG 3.8Å
569	L	96.6	Very high	95.8	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.058	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.2	171.8	170.1	64.8	0	0	0	109.4	F506 F544 Y561 F562 V580	F506-L569 HydrophobicContact CB-CD1 4.42Å; F506-L569 HydrophobicContact CD1-CD1 3.86Å; F506-L569 HydrophobicContact CD1-CD2 4.48Å; F506-L569 HydrophobicContact CD2-CD1 3.64Å; F506-L569 HydrophobicContact CD2-CD2 4.17Å; F506-L569 HydrophobicContact CE1-CD1 4.03Å; F506-L569 HydrophobicContact CE1-CD2 3.83Å; F506-L569 HydrophobicContact CE2-CD1 3.82Å; F506-L569 HydrophobicContact CE2-CD2 3.45Å; F506-L569 VanDerWaalsContact CE2-CD2 3.45Å; F506-L569 HydrophobicContact CE2-CG 4.28Å; F506-L569 HydrophobicContact CG-CD1 3.69Å; F506-L569 HydrophobicContact CZ-CD1 4.04Å; F506-L569 HydrophobicContact CZ-CD2 3.27Å; F506-L569 HydrophobicContact CZ-CG 4.32Å; F544-L569 HydrophobicContact CE1-CD2 3.89Å; F544-L569 HydrophobicContact CZ-CD2 4.36Å; Y561-L569 WeakPolarHBondContact O-CA 3.48Å; Y561-L569 VanDerWaalsContact O-CD1 3.31Å; Y561-L569 WeakPolarHBondContact O-CD1 3.48Å; F562-L569 HydrophobicContact CD2-CB 4.34Å; L569-V580 HydrophobicContact CB-CB 3.94Å; L569-V580 HydrophobicContact CB-CG2 3.89Å; L569-V580 HydrophobicContact CD2-CB 4.29Å; L569-V580 HydrophobicContact CD2-CG2 3.69Å; L569-V580 HydrophobicContact CG-CB 4.22Å; L569-V580 HydrophobicContact CG-CG2 3.61Å; L569-V580 WeakPolarHBondContact O-CB 3.17Å; L569-V580 WeakPolarHBondContact O-CG2 3.43Å; L569-V580 PolarHBondContact O-N 3.22Å
570	F	97.8	Very high	95.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.6	176.7	-68.3	-87.4	0	0	0	110.2	A560 Y561 H566 A568 L572 F577 W578 R579 W607	A560-F570 VanDerWaalsContact CA-O 3.32Å; A560-F570 WeakPolarHBondContact CA-O 3.38Å; Y561-F570 HydrophobicContact CD1-CB 4.11Å; Y561-F570 HydrophobicContact CE1-CB 3.82Å; Y561-F570 HydrophobicContact CE1-CD2 4.2Å; Y561-F570 HydrophobicContact CE1-CG 4.29Å; Y561-F570 PolarHBondContact N-O 2.84Å; Y561-F570 PolarHBondContact O-N 2.83Å; H566-F570 HydrophobicContact CB-CE2 3.8Å; H566-F570 HydrophobicContact CB-CZ 3.95Å; H566-F570 AromaticContact CG-CZ 3.96Å; A568-F570 HydrophobicContact CB-CE2 4.14Å; A568-F570 HydrophobicContact CB-CZ 4.46Å; F570-L572 HydrophobicContact CB-CD1 3.89Å; F570-F577 AromaticContact CD1-CD2 3.57Å; F570-F577 HydrophobicContact CD1-CD2 3.57Å; F570-F577 AromaticContact CD1-CE2 3.95Å; F570-F577 HydrophobicContact CD1-CE2 3.95Å; F570-F577 HydrophobicContact CD1-CG 4.43Å; F570-F577 AromaticContact CE1-CD2 3.81Å; F570-F577 HydrophobicContact CE1-CD2 3.81Å; F570-F577 AromaticContact CE1-CE2 3.66Å; F570-F577 HydrophobicContact CE1-CE2 3.66Å; F570-W578 WeakPolarHBondContact CA-O 3.36Å; F570-R579 HydrophobicContact CD1-CB 4Å; F570-R579 HydrophobicContact CD1-CG 4.16Å; F570-R579 HydrophobicContact CE1-CB 3.77Å; F570-R579 HydrophobicContact CE1-CG 3.74Å; F570-R579 HydrophobicContact CZ-CG 4.03Å; F570-W607 AromaticContact CD1-CH2 3.93Å; F570-W607 HydrophobicContact CD1-CH2 3.93Å; F570-W607 HydrophobicContact CE1-CH2 4.03Å; F570-W607 HydrophobicContact CE1-CZ2 4.5Å; F570-W607 HydrophobicContact CE2-CZ2 4.49Å; F570-W607 HydrophobicContact CG-CH2 4.2Å; F570-W607 HydrophobicContact CZ-CH2 4.4Å; F570-W607 HydrophobicContact CZ-CZ2 4.43Å
571	L	98.3	Very high	95.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.4	165.7	-55	-174.5	0	0	0	107.9	F517 F544 P553 I557 A560 F577 W578 L597	F517-L571 HydrophobicContact CE1-CD2 4.42Å; F517-L571 HydrophobicContact CZ-CD2 3.89Å; F544-L571 HydrophobicContact CB-CD1 4.43Å; F544-L571 HydrophobicContact CD1-CD1 4.33Å; F544-L571 HydrophobicContact CD2-CD1 4.31Å; F544-L571 HydrophobicContact CG-CD1 4.11Å; P553-L571 HydrophobicContact CG-CB 4.48Å; P553-L571 HydrophobicContact CG-CD1 4.37Å; I557-L571 HydrophobicContact CG2-CB 4.49Å; A560-L571 HydrophobicContact CB-CD2 3.54Å; L571-F577 CarbonylContact O-C 3.55Å; L571-F577 VanDerWaalsContact O-CA 3.26Å; L571-F577 WeakPolarHBondContact O-CA 3.38Å; L571-W578 PolarHBondContact N-O 3.35Å; L571-W578 PolarHBondContact O-N 2.66Å; L571-L597 HydrophobicContact CD1-CD1 4.14Å; L571-L597 HydrophobicContact CD1-CD2 3.89Å; L571-L597 HydrophobicContact CG-CD2 4.4Å
572	L	98.2	Very high	95.3	Very high	4 Å²	4	36 Å²	36	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138	-178.9	-69.8	80.9	0	0	0	109.6	F384 V387 D558 A559 Y561 F570 R576 F577 V603	F384-L572 HydrophobicContact CD2-CD2 4.32Å; V387-L572 HydrophobicContact CG2-CD2 3.95Å; D558-L572 PolarHBondContact N-O 2.81Å; A559-L572 HydrophobicContact CB-CB 4.24Å; A559-L572 HydrophobicContact CB-CD1 4.5Å; A559-L572 PolarHBondContact N-O 3.45Å; A559-L572 PolarHBondContact O-N 2.82Å; Y561-L572 HydrophobicContact CD1-CD1 4.02Å; Y561-L572 HydrophobicContact CE1-CD1 3.92Å; F570-L572 HydrophobicContact CB-CD1 3.89Å; L572-R576 WeakPolarHBondContact CA-O 3.38Å; L572-F577 HydrophobicContact CG-CB 3.93Å; L572-V603 HydrophobicContact CD2-CG2 4.07Å
573	K	97.3	Very high	95	Very high	76 Å²	76	37.4 Å²	37.4	33%	0.33	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	124.2	173.8	-171.8	-176.8	177.7	-164.3	0	110.6	P553 D554 S556 D558 T575 R576 W578	P553-K573 HydrophobicContact CB-CB 4.15Å; P553-K573 HydrophobicContact CB-CD 4.21Å; D554-K573 PolarHBondContact O-NZ 2.92Å; S556-K573 WeakPolarHBondContact O-CE 3.49Å; D558-K573 VanDerWaalsContact OD2-CA 3.32Å; D558-K573 WeakPolarHBondContact OD2-CA 3.41Å; K573-T575 PolarHBondContact O-N 3.08Å; K573-R576 PolarHBondContact N-O 3.18Å; K573-R576 PolarHBondContact O-N 2.91Å; K573-R576 VanDerWaalsContact O-N 3.1Å; K573-W578 HydrophobicContact CB-CZ3 3.92Å
574	G	96.1	Very high	94.7	Very high	30 Å²	30	46.1 Å²	46.1	31%	0.309	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-125.7	-172.6	0	0	0	0	0	110.5	D558	D558-G574 PolarHBondContact OD2-N 3.07Å
575	T	95.4	Very high	94.7	Very high	48 Å²	48	46 Å²	46	29%	0.294	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1.3	176.5	61.3	0	0	0	0	113.2	K381 K573 E602 V603	K381-T575 HydrophobicContact CB-CG2 4Å; K381-T575 HydrophobicContact CG-CG2 4.48Å; K573-T575 PolarHBondContact O-N 3.08Å; T575-E602 VanDerWaalsContact CB-OE2 3.28Å; T575-E602 WeakPolarHBondContact CB-OE2 3.44Å; T575-E602 WeakPolarHBondContact O-CA 3.27Å; T575-E602 PolarHBondContact OG1-OE2 3.27Å; T575-V603 WeakPolarHBondContact O-CG2 3.27Å; T575-V603 PolarHBondContact O-N 2.8Å
576	R	97.3	Very high	94.9	Very high	106 Å²	106	48.3 Å²	48.3	40%	0.4	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	154.2	-170.4	-68.4	174.7	175.9	180	5	112.3	L572 K573 W578 H600 K601 E602	L572-R576 WeakPolarHBondContact CA-O 3.38Å; K573-R576 PolarHBondContact N-O 3.18Å; K573-R576 PolarHBondContact O-N 2.91Å; K573-R576 VanDerWaalsContact O-N 3.1Å; R576-W578 HydrophobicContact CB-CH2 3.64Å; R576-W578 HydrophobicContact CB-CZ2 4.49Å; R576-W578 HydrophobicContact CB-CZ3 3.65Å; R576-H600 HydrophobicContact CB-CB 4.41Å; R576-H600 WeakPolarHBondContact CD-CD2 3.43Å; R576-H600 VanDerWaalsContact CZ-NE2 3.27Å; R576-H600 PolarHBondContact NE-CD2 3.09Å; R576-H600 PolarHBondContact NE-NE2 3.41Å; R576-H600 PolarHBondContact NH1-NE2 3.12Å; R576-K601 CarbonylContact C-O 3.51Å; R576-K601 WeakPolarHBondContact CA-O 3.42Å; R576-E602 VanDerWaalsContact CG-OE1 3.31Å; R576-E602 WeakPolarHBondContact CG-OE1 3.35Å; R576-E602 IonicContact CZ-OE1 3.14Å; R576-E602 IonicContact NE-OE1 2.68Å; R576-E602 PolarHBondContact NE-OE1 3.47Å; R576-E602 IonicContact NH2-OE1 2.74Å
577	F	97.9	Very high	94.9	Very high	7 Å²	7	55 Å²	55	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.7	169.8	74.1	-93.6	0	0	0	112.3	F570 L571 L572 H600 K601 E602 V603 Q606 W607	F570-F577 AromaticContact CD1-CD2 3.57Å; F570-F577 HydrophobicContact CD1-CD2 3.57Å; F570-F577 AromaticContact CD1-CE2 3.95Å; F570-F577 HydrophobicContact CD1-CE2 3.95Å; F570-F577 HydrophobicContact CD1-CG 4.43Å; F570-F577 AromaticContact CE1-CD2 3.81Å; F570-F577 HydrophobicContact CE1-CD2 3.81Å; F570-F577 AromaticContact CE1-CE2 3.66Å; F570-F577 HydrophobicContact CE1-CE2 3.66Å; L571-F577 CarbonylContact O-C 3.55Å; L571-F577 VanDerWaalsContact O-CA 3.26Å; L571-F577 WeakPolarHBondContact O-CA 3.38Å; L572-F577 HydrophobicContact CG-CB 3.93Å; F577-H600 VanDerWaalsContact O-CA 3.23Å; F577-H600 WeakPolarHBondContact O-CA 3.38Å; F577-K601 HydrophobicContact CD1-CB 4.22Å; F577-K601 WeakPolarHBondContact CD1-O 3.17Å; F577-K601 HydrophobicContact CE1-CB 3.57Å; F577-K601 HydrophobicContact CE2-CB 4.14Å; F577-K601 HydrophobicContact CE2-CD 4.46Å; F577-K601 HydrophobicContact CZ-CB 3.55Å; F577-K601 HydrophobicContact CZ-CD 3.96Å; F577-K601 HydrophobicContact CZ-CG 4.27Å; F577-K601 PolarHBondContact N-O 2.75Å; F577-K601 PolarHBondContact O-N 2.75Å; F577-E602 WeakPolarHBondContact CE1-O 3.49Å; F577-V603 HydrophobicContact CB-CG2 4.32Å; F577-V603 HydrophobicContact CD1-CG2 4.02Å; F577-Q606 HydrophobicContact CE1-CB 3.54Å; F577-Q606 HydrophobicContact CE1-CG 4.15Å; F577-Q606 HydrophobicContact CZ-CB 3.65Å; F577-Q606 HydrophobicContact CZ-CG 3.87Å; F577-W607 HydrophobicContact CB-CZ3 4.44Å; F577-W607 HydrophobicContact CD1-CE3 4.49Å; F577-W607 HydrophobicContact CD1-CH2 4.45Å; F577-W607 AromaticContact CD1-CZ3 3.66Å; F577-W607 HydrophobicContact CD1-CZ3 3.66Å; F577-W607 HydrophobicContact CD2-CH2 4.49Å; F577-W607 HydrophobicContact CD2-CZ3 4.46Å; F577-W607 HydrophobicContact CE1-CE3 4.49Å; F577-W607 AromaticContact CE1-CZ3 3.85Å; F577-W607 HydrophobicContact CE1-CZ3 3.85Å; F577-W607 HydrophobicContact CG-CH2 4.36Å; F577-W607 AromaticContact CG-CZ3 3.94Å; F577-W607 HydrophobicContact CG-CZ3 3.94Å; F577-W607 HydrophobicContact CZ-CZ3 4.32Å
578	W	98.3	Very high	95	Very high	13 Å²	13	57 Å²	57	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.3	172.2	-66.8	-101.8	0	0	0	108.4	D551 P553 F570 L571 K573 R576 L597 H600	D551-W578 PolarHBondContact OD1-NE1 2.65Å; P553-W578 HydrophobicContact CB-CD2 3.97Å; P553-W578 HydrophobicContact CB-CE3 3.61Å; P553-W578 HydrophobicContact CB-CH2 3.9Å; P553-W578 HydrophobicContact CB-CZ2 4.19Å; P553-W578 HydrophobicContact CB-CZ3 3.62Å; P553-W578 HydrophobicContact CG-CD2 3.82Å; P553-W578 HydrophobicContact CG-CE3 3.84Å; P553-W578 HydrophobicContact CG-CG 4.21Å; P553-W578 HydrophobicContact CG-CZ3 4.35Å; F570-W578 WeakPolarHBondContact CA-O 3.36Å; L571-W578 PolarHBondContact N-O 3.35Å; L571-W578 PolarHBondContact O-N 2.66Å; K573-W578 HydrophobicContact CB-CZ3 3.92Å; R576-W578 HydrophobicContact CB-CH2 3.64Å; R576-W578 HydrophobicContact CB-CZ2 4.49Å; R576-W578 HydrophobicContact CB-CZ3 3.65Å; W578-L597 HydrophobicContact CB-CB 4.18Å; W578-L597 HydrophobicContact CB-CD1 4.24Å; W578-L597 HydrophobicContact CB-CD2 4.17Å; W578-L597 HydrophobicContact CB-CG 4.43Å; W578-L597 HydrophobicContact CG-CB 4.46Å; W578-L597 HydrophobicContact CG-CD1 4.35Å; W578-H600 HydrophobicContact CD2-CB 3.98Å; W578-H600 VanDerWaalsContact CE2-CB 3.5Å; W578-H600 HydrophobicContact CG-CB 4.33Å; W578-H600 HydrophobicContact CH2-CB 4.35Å; W578-H600 HydrophobicContact CZ2-CB 3.73Å
579	R	97.7	Very high	95	Very high	65 Å²	65	63.5 Å²	63.5	25%	0.245	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.2	173.7	-170.9	177.5	58.5	76.8	0.6	109.7	A568 F570 E585 M598	A568-R579 HydrophobicContact CB-CG 3.8Å; F570-R579 HydrophobicContact CD1-CB 4Å; F570-R579 HydrophobicContact CD1-CG 4.16Å; F570-R579 HydrophobicContact CE1-CB 3.77Å; F570-R579 HydrophobicContact CE1-CG 3.74Å; F570-R579 HydrophobicContact CZ-CG 4.03Å; R579-E585 IonicContact CZ-OE1 2.92Å; R579-E585 IonicContact CZ-OE2 3.96Å; R579-E585 VanDerWaalsContact NH1-CD 3.31Å; R579-E585 IonicContact NH1-OE1 3.01Å; R579-E585 PolarHBondContact NH1-OE1 3.01Å; R579-E585 IonicContact NH1-OE2 2.64Å; R579-E585 PolarHBondContact NH1-OE2 2.88Å; R579-E585 IonicContact NH2-OE1 2.94Å; R579-E585 PolarHBondContact NH2-OE1 2.83Å; R579-E585 IonicContact NH2-OE2 3.69Å; R579-E585 PolarHBondContact NH2-OE2 3.35Å; R579-M598 WeakPolarHBondContact O-CB 3.45Å; R579-M598 WeakPolarHBondContact O-CG 3.43Å; R579-M598 PolarHBondContact O-N 2.94Å
580	V	97.1	Very high	94.8	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.024	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-73.1	134	175.4	-176.9	0	0	0	0	109.7	F544 L569 G582 N595 G596 L597	F544-V580 HydrophobicContact CD1-CG2 4.14Å; F544-V580 HydrophobicContact CE1-CG2 4.22Å; L569-V580 HydrophobicContact CB-CB 3.94Å; L569-V580 HydrophobicContact CB-CG2 3.89Å; L569-V580 HydrophobicContact CD2-CB 4.29Å; L569-V580 HydrophobicContact CD2-CG2 3.69Å; L569-V580 HydrophobicContact CG-CB 4.22Å; L569-V580 HydrophobicContact CG-CG2 3.61Å; L569-V580 WeakPolarHBondContact O-CB 3.17Å; L569-V580 WeakPolarHBondContact O-CG2 3.43Å; L569-V580 PolarHBondContact O-N 3.22Å; V580-G582 PolarHBondContact O-N 3.41Å; V580-N595 HydrophobicContact CG1-CB 4.29Å; V580-G596 CarbonylContact C-O 3.49Å; V580-G596 WeakPolarHBondContact CA-O 3.16Å; V580-L597 HydrophobicContact CG2-CD2 3.69Å
581	V	95.6	Very high	94.6	Very high	2 Å²	2	75.2 Å²	75.2	1%	0.012	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-55.6	122.2	178.1	169.3	0	0	0	0	110.1	V547 E585 R586 L592 G596 M598	V547-V581 HydrophobicContact CG2-CG2 3.96Å; V581-E585 HydrophobicContact CG1-CB 4.35Å; V581-R586 HydrophobicContact CG1-CG 3.42Å; V581-R586 VanDerWaalsContact CG1-CG 3.42Å; V581-L592 HydrophobicContact CG1-CB 4.03Å; V581-L592 HydrophobicContact CG1-CD1 4.03Å; V581-L592 HydrophobicContact CG2-CD1 4.37Å; V581-G596 WeakPolarHBondContact CB-O 3.23Å; V581-G596 VanDerWaalsContact CG2-O 3.29Å; V581-G596 WeakPolarHBondContact CG2-O 3.23Å; V581-G596 PolarHBondContact N-O 2.89Å; V581-M598 HydrophobicContact CG2-CG 3.95Å; V581-M598 HydrophobicContact CG2-SD 3.68Å
582	G	91.1	Very high	94.5	Very high	21 Å²	21	75.6 Å²	75.6	22%	0.216	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-86.8	163.9	-179.9	0	0	0	0	0	113.3	V580 R584 E585 R586	V580-G582 PolarHBondContact O-N 3.41Å; G582-R584 VanDerWaalsContact C-N 3.27Å; G582-R584 PolarHBondContact O-N 2.66Å; G582-E585 PolarHBondContact N-OE2 3.43Å; G582-E585 VanDerWaalsContact N-OE2 3.12Å; G582-E585 PolarHBondContact O-N 2.64Å; G582-E585 VanDerWaalsContact O-N 3.17Å; G582-R586 PolarHBondContact O-N 2.8Å
583	S	87.6	Confident	94.3	Very high	90 Å²	90	77.7 Å²	77.7	63%	0.629	36%	0.358	S	S	*	.	H	α-helix	trans	-58.7	-37	178.1	-54.9	0	0	0	0	113	E585 R586 W587	S583-E585 VanDerWaalsContact C-N 3.31Å; S583-E585 PolarHBondContact O-N 2.92Å; S583-R586 PolarHBondContact O-N 2.86Å; S583-W587 PolarHBondContact O-N 3.47Å
584	R	88.9	Confident	94	Very high	184 Å²	184	81 Å²	81	69%	0.694	37%	0.368	S	S	*	.	H	α-helix	trans	-63	-36.9	178.8	-173.5	179.5	-177.9	-172	1.8	112.4	G582 R588	G582-R584 VanDerWaalsContact C-N 3.27Å; G582-R584 PolarHBondContact O-N 2.66Å; R584-R588 PolarHBondContact O-N 2.87Å
585	E	90.8	Very high	93.9	Very high	50 Å²	50	80.2 Å²	80.2	23%	0.234	36%	0.357	C	S	.	.	H	α-helix	trans	-75.3	-41.9	179.8	-65.6	177	126.8	0	0	111.2	R579 V581 G582 S583 W587 R588 R589 L592	R579-E585 IonicContact CZ-OE1 2.92Å; R579-E585 IonicContact CZ-OE2 3.96Å; R579-E585 VanDerWaalsContact NH1-CD 3.31Å; R579-E585 IonicContact NH1-OE1 3.01Å; R579-E585 PolarHBondContact NH1-OE1 3.01Å; R579-E585 IonicContact NH1-OE2 2.64Å; R579-E585 PolarHBondContact NH1-OE2 2.88Å; R579-E585 IonicContact NH2-OE1 2.94Å; R579-E585 PolarHBondContact NH2-OE1 2.83Å; R579-E585 IonicContact NH2-OE2 3.69Å; R579-E585 PolarHBondContact NH2-OE2 3.35Å; V581-E585 HydrophobicContact CG1-CB 4.35Å; G582-E585 PolarHBondContact N-OE2 3.43Å; G582-E585 VanDerWaalsContact N-OE2 3.12Å; G582-E585 PolarHBondContact O-N 2.64Å; G582-E585 VanDerWaalsContact O-N 3.17Å; S583-E585 VanDerWaalsContact C-N 3.31Å; S583-E585 PolarHBondContact O-N 2.92Å; E585-W587 PolarHBondContact O-N 3.35Å; E585-R588 CarbonylContact O-C 3.53Å; E585-R588 PolarHBondContact O-N 2.84Å; E585-R589 PolarHBondContact O-N 3.36Å; E585-L592 HydrophobicContact CB-CD1 4.26Å
586	R	93.3	Very high	94	Very high	96 Å²	96	77.9 Å²	77.9	36%	0.362	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-33.5	173.7	-66.6	-173.7	62.9	-126.3	-7.4	112.3	V581 G582 S583 R588 R589 P590 L592	V581-R586 HydrophobicContact CG1-CG 3.42Å; V581-R586 VanDerWaalsContact CG1-CG 3.42Å; G582-R586 PolarHBondContact O-N 2.8Å; S583-R586 PolarHBondContact O-N 2.86Å; R586-R588 VanDerWaalsContact C-N 3.31Å; R586-R588 PolarHBondContact O-N 3.11Å; R586-R589 CarbonylContact O-C 3.17Å; R586-R589 PolarHBondContact O-N 3.45Å; R586-P590 WeakPolarHBondContact O-CA 3.48Å; R586-P590 VanDerWaalsContact O-N 3.09Å; R586-L592 HydrophobicContact CG-CB 4.23Å; R586-L592 PolarHBondContact NE-O 2.93Å
587	W	90.9	Very high	94	Very high	213 Å²	213	72.9 Å²	72.9	81%	0.807	32%	0.324	S	S	*	.	H	α-helix	trans	-63.1	-38.3	173.2	-176.3	74.8	0	0	0	112.2	S583 E585	S583-W587 PolarHBondContact O-N 3.47Å; E585-W587 PolarHBondContact O-N 3.35Å
588	R	94	Very high	94	Very high	167 Å²	167	74.4 Å²	74.4	63%	0.63	33%	0.332	S	S	*	.	H	α-helix	trans	-79	-31.5	175.5	-67.1	-178.7	173.8	-175.7	-5.4	113.5	R584 E585 R586	R584-R588 PolarHBondContact O-N 2.87Å; E585-R588 CarbonylContact O-C 3.53Å; E585-R588 PolarHBondContact O-N 2.84Å; R586-R588 VanDerWaalsContact C-N 3.31Å; R586-R588 PolarHBondContact O-N 3.11Å
589	R	95.3	Very high	94	Very high	144 Å²	144	76.2 Å²	76.2	54%	0.543	35%	0.345	S	S	.	.			trans	-134.3	81	-176.2	-65.2	-178.4	-176	-170.5	1.6	109.5	E585 R586 F591 L592	E585-R589 PolarHBondContact O-N 3.36Å; R586-R589 CarbonylContact O-C 3.17Å; R586-R589 PolarHBondContact O-N 3.45Å; R589-F591 HydrophobicContact CB-CD1 4.22Å; R589-F591 HydrophobicContact CB-CE1 3.67Å; R589-F591 HydrophobicContact CB-CZ 3.89Å; R589-F591 HydrophobicContact CG-CE1 3.98Å; R589-F591 HydrophobicContact CG-CZ 4.09Å; R589-F591 PolarHBondContact O-N 3.22Å; R589-F591 VanDerWaalsContact O-N 3.14Å; R589-L592 HydrophobicContact CB-CD1 3.75Å; R589-L592 HydrophobicContact CB-CG 3.85Å; R589-L592 WeakPolarHBondContact O-CB 3.46Å; R589-L592 PolarHBondContact O-N 3.06Å; R589-L592 VanDerWaalsContact O-N 3.08Å
590	P	93	Very high	94	Very high	100 Å²	100	75.9 Å²	75.9	65%	0.649	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.9	-173	-26.6	36.5	0	0	0	115.1	R586 L592	R586-P590 WeakPolarHBondContact O-CA 3.48Å; R586-P590 VanDerWaalsContact O-N 3.09Å; P590-L592 PolarHBondContact O-N 3.34Å
591	F	93.3	Very high	94	Very high	160 Å²	160	81.1 Å²	81.1	70%	0.702	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-15	176.9	63.7	-95.3	0	0	0	113.6	R589	R589-F591 HydrophobicContact CB-CD1 4.22Å; R589-F591 HydrophobicContact CB-CE1 3.67Å; R589-F591 HydrophobicContact CB-CZ 3.89Å; R589-F591 HydrophobicContact CG-CE1 3.98Å; R589-F591 HydrophobicContact CG-CZ 4.09Å; R589-F591 PolarHBondContact O-N 3.22Å; R589-F591 VanDerWaalsContact O-N 3.14Å
592	L	95.3	Very high	94	Very high	8 Å²	8	82.9 Å²	82.9	4%	0.042	38%	0.377	C	S	.	.	S	Bend	trans	-67.3	130.8	178.1	-68.3	176.6	0	0	0	110.7	V547 V581 E585 R586 R589 P590	V547-L592 HydrophobicContact CG1-CD2 3.86Å; V547-L592 HydrophobicContact CG2-CD2 4.11Å; V581-L592 HydrophobicContact CG1-CB 4.03Å; V581-L592 HydrophobicContact CG1-CD1 4.03Å; V581-L592 HydrophobicContact CG2-CD1 4.37Å; E585-L592 HydrophobicContact CB-CD1 4.26Å; R586-L592 HydrophobicContact CG-CB 4.23Å; R586-L592 PolarHBondContact NE-O 2.93Å; R589-L592 HydrophobicContact CB-CD1 3.75Å; R589-L592 HydrophobicContact CB-CG 3.85Å; R589-L592 WeakPolarHBondContact O-CB 3.46Å; R589-L592 PolarHBondContact O-N 3.06Å; R589-L592 VanDerWaalsContact O-N 3.08Å; P590-L592 PolarHBondContact O-N 3.34Å
593	P	94.3	Very high	94.2	Very high	47 Å²	47	82.2 Å²	82.2	31%	0.305	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-64.7	149.1	-178.3	24.8	-31.1	0	0	0	111.2	P545 V547 N595 G596	P545-P593 HydrophobicContact CG-CB 3.78Å; P545-P593 HydrophobicContact CG-CG 4.03Å; V547-P593 HydrophobicContact CG2-CG 4.49Å; P593-N595 PolarHBondContact O-N 3.38Å; P593-G596 PolarHBondContact O-N 3.23Å; P593-G596 VanDerWaalsContact O-N 3.09Å
594	R	91.1	Very high	94.4	Very high	145 Å²	145	78.8 Å²	78.8	55%	0.547	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	136.2	170	-177.8	179.1	178	-172.4	-2.3	108.2	G596	R594-G596 PolarHBondContact O-N 3.39Å
595	N	94.6	Very high	94.5	Very high	14 Å²	14	75.9 Å²	75.9	8%	0.075	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	19.4	-173.6	-63.9	-12.2	0	0	0	114	R510 V543 F544 V580 P593	R510-N595 PolarHBondContact NH1-OD1 3.43Å; R510-N595 PolarHBondContact NH2-OD1 2.91Å; V543-N595 WeakPolarHBondContact O-CB 3.48Å; F544-N595 WeakPolarHBondContact CA-O 2.95Å; F544-N595 HydrophobicContact CD1-CB 3.93Å; F544-N595 HydrophobicContact CE1-CB 4.22Å; V580-N595 HydrophobicContact CG1-CB 4.29Å; P593-N595 PolarHBondContact O-N 3.38Å
596	G	96.8	Very high	94.5	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-56.5	144.2	175.8	0	0	0	0	0	112.1	P545 V580 V581 P593 R594	P545-G596 CarbonylContact O-C 3.4Å; P545-G596 WeakPolarHBondContact O-CA 3.19Å; V580-G596 CarbonylContact C-O 3.49Å; V580-G596 WeakPolarHBondContact CA-O 3.16Å; V581-G596 WeakPolarHBondContact CB-O 3.23Å; V581-G596 VanDerWaalsContact CG2-O 3.29Å; V581-G596 WeakPolarHBondContact CG2-O 3.23Å; V581-G596 PolarHBondContact N-O 2.89Å; P593-G596 PolarHBondContact O-N 3.23Å; P593-G596 VanDerWaalsContact O-N 3.09Å; R594-G596 PolarHBondContact O-N 3.39Å
597	L	98.1	Very high	94.5	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.005	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-94.1	119.1	172.8	-60.8	-175.8	0	0	0	110	F544 P545 V547 P553 L571 W578 V580	F544-L597 HydrophobicContact CB-CD1 4.03Å; F544-L597 HydrophobicContact CB-CD2 4.05Å; F544-L597 HydrophobicContact CB-CG 3.93Å; F544-L597 HydrophobicContact CD1-CD2 4.28Å; P545-L597 PolarHBondContact O-N 2.85Å; V547-L597 VanDerWaalsContact CB-O 3.26Å; V547-L597 WeakPolarHBondContact CB-O 3.23Å; V547-L597 VanDerWaalsContact CG2-O 3.25Å; V547-L597 WeakPolarHBondContact CG2-O 3.38Å; V547-L597 PolarHBondContact N-O 2.95Å; P553-L597 HydrophobicContact CG-CD1 3.82Å; L571-L597 HydrophobicContact CD1-CD1 4.14Å; L571-L597 HydrophobicContact CD1-CD2 3.89Å; L571-L597 HydrophobicContact CG-CD2 4.4Å; W578-L597 HydrophobicContact CB-CB 4.18Å; W578-L597 HydrophobicContact CB-CD1 4.24Å; W578-L597 HydrophobicContact CB-CD2 4.17Å; W578-L597 HydrophobicContact CB-CG 4.43Å; W578-L597 HydrophobicContact CG-CB 4.46Å; W578-L597 HydrophobicContact CG-CD1 4.35Å; V580-L597 HydrophobicContact CG2-CD2 3.69Å
598	M	97.1	Very high	94.5	Very high	39 Å²	39	63.4 Å²	63.4	19%	0.192	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-64.7	156.5	169.5	-65.2	-64.5	-67.7	0	0	110.2	V547 R579 V581	V547-M598 HydrophobicContact CG2-SD 4.4Å; R579-M598 WeakPolarHBondContact O-CB 3.45Å; R579-M598 WeakPolarHBondContact O-CG 3.43Å; R579-M598 PolarHBondContact O-N 2.94Å; V581-M598 HydrophobicContact CG2-CG 3.95Å; V581-M598 HydrophobicContact CG2-SD 3.68Å
599	P	97.4	Very high	94.3	Very high	51 Å²	51	55.5 Å²	55.5	33%	0.331	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-52	143	177.3	-27.1	35	0	0	0	112.4	E548 D551	E548-P599 HydrophobicContact CB-CG 4.22Å; E548-P599 WeakPolarHBondContact OE2-CG 3.26Å; D551-P599 WeakPolarHBondContact OD2-CA 3.45Å
600	H	98	Very high	94.3	Very high	58 Å²	58	48.9 Å²	48.9	27%	0.269	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-64.6	157.4	-175.4	71.7	-86.1	0	0	0	112	D551 R576 F577 W578	D551-H600 IonicContact OD1-CE1 3.4Å; D551-H600 IonicContact OD1-CG 3.92Å; D551-H600 IonicContact OD1-ND1 2.69Å; D551-H600 PolarHBondContact OD1-ND1 2.73Å; D551-H600 IonicContact OD2-CG 3.42Å; D551-H600 PolarHBondContact OD2-N 2.99Å; D551-H600 IonicContact OD2-ND1 2.59Å; D551-H600 PolarHBondContact OD2-ND1 3.05Å; R576-H600 HydrophobicContact CB-CB 4.41Å; R576-H600 WeakPolarHBondContact CD-CD2 3.43Å; R576-H600 VanDerWaalsContact CZ-NE2 3.27Å; R576-H600 PolarHBondContact NE-CD2 3.09Å; R576-H600 PolarHBondContact NE-NE2 3.41Å; R576-H600 PolarHBondContact NH1-NE2 3.12Å; F577-H600 VanDerWaalsContact O-CA 3.23Å; F577-H600 WeakPolarHBondContact O-CA 3.38Å; W578-H600 HydrophobicContact CD2-CB 3.98Å; W578-H600 VanDerWaalsContact CE2-CB 3.5Å; W578-H600 HydrophobicContact CG-CB 4.33Å; W578-H600 HydrophobicContact CH2-CB 4.35Å; W578-H600 HydrophobicContact CZ2-CB 3.73Å
601	K	97.2	Very high	94.2	Very high	113 Å²	113	44.1 Å²	44.1	49%	0.491	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161.2	166.8	-65.1	-176.1	176.7	-167.4	0	109	R576 F577	R576-K601 CarbonylContact C-O 3.51Å; R576-K601 WeakPolarHBondContact CA-O 3.42Å; F577-K601 HydrophobicContact CD1-CB 4.22Å; F577-K601 WeakPolarHBondContact CD1-O 3.17Å; F577-K601 HydrophobicContact CE1-CB 3.57Å; F577-K601 HydrophobicContact CE2-CB 4.14Å; F577-K601 HydrophobicContact CE2-CD 4.46Å; F577-K601 HydrophobicContact CZ-CB 3.55Å; F577-K601 HydrophobicContact CZ-CD 3.96Å; F577-K601 HydrophobicContact CZ-CG 4.27Å; F577-K601 PolarHBondContact N-O 2.75Å; F577-K601 PolarHBondContact O-N 2.75Å
602	E	95.6	Very high	94.1	Very high	39 Å²	39	39.5 Å²	39.5	18%	0.182	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.1	172.5	-58.5	-63.8	147.4	0	0	109.5	T575 R576 F577 D604 Q605	T575-E602 VanDerWaalsContact CB-OE2 3.28Å; T575-E602 WeakPolarHBondContact CB-OE2 3.44Å; T575-E602 WeakPolarHBondContact O-CA 3.27Å; T575-E602 PolarHBondContact OG1-OE2 3.27Å; R576-E602 VanDerWaalsContact CG-OE1 3.31Å; R576-E602 WeakPolarHBondContact CG-OE1 3.35Å; R576-E602 IonicContact CZ-OE1 3.14Å; R576-E602 IonicContact NE-OE1 2.68Å; R576-E602 PolarHBondContact NE-OE1 3.47Å; R576-E602 IonicContact NH2-OE1 2.74Å; F577-E602 WeakPolarHBondContact CE1-O 3.49Å; E602-D604 VanDerWaalsContact C-N 3.28Å; E602-D604 WeakPolarHBondContact CB-OD1 3.22Å; E602-D604 PolarHBondContact O-N 3.06Å; E602-Q605 HydrophobicContact CB-CG 4.13Å; E602-Q605 WeakPolarHBondContact O-CB 3.28Å; E602-Q605 PolarHBondContact O-N 3.44Å
603	V	95	Very high	94	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.048	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-58.1	-42.3	-175.9	167.7	0	0	0	0	111.1	F384 L572 T575 F577 Q605 Q606 W607	F384-V603 HydrophobicContact CE2-CG1 3.79Å; L572-V603 HydrophobicContact CD2-CG2 4.07Å; T575-V603 WeakPolarHBondContact O-CG2 3.27Å; T575-V603 PolarHBondContact O-N 2.8Å; F577-V603 HydrophobicContact CB-CG2 4.32Å; F577-V603 HydrophobicContact CD1-CG2 4.02Å; V603-Q605 PolarHBondContact O-N 3.04Å; V603-Q605 VanDerWaalsContact O-N 3.15Å; V603-Q606 PolarHBondContact O-N 3.35Å; V603-W607 HydrophobicContact CB-CE3 4.4Å; V603-W607 HydrophobicContact CG1-CE3 3.75Å; V603-W607 HydrophobicContact CG1-CZ3 4.4Å; V603-W607 PolarHBondContact O-N 3.44Å
604	D	91.7	Very high	93.9	Very high	18 Å²	18	39.6 Å²	39.6	10%	0.096	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-66.7	-12.5	-177.6	66.7	-40.1	0	0	0	113.8	G379 E602 F608	G379-D604 PolarHBondContact N-OD2 2.91Å; E602-D604 VanDerWaalsContact C-N 3.28Å; E602-D604 WeakPolarHBondContact CB-OD1 3.22Å; E602-D604 PolarHBondContact O-N 3.06Å; D604-F608 WeakPolarHBondContact O-CD1 3.41Å; D604-F608 WeakPolarHBondContact O-CE1 3.45Å
605	Q	90.8	Very high	93.6	Very high	123 Å²	123	36.2 Å²	36.2	58%	0.575	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-83.6	-16	171	-61.8	177.2	-9.5	0	0	113.2	E602 V603	E602-Q605 HydrophobicContact CB-CG 4.13Å; E602-Q605 WeakPolarHBondContact O-CB 3.28Å; E602-Q605 PolarHBondContact O-N 3.44Å; V603-Q605 PolarHBondContact O-N 3.04Å; V603-Q605 VanDerWaalsContact O-N 3.15Å
606	Q	91.9	Very high	93.1	Very high	49 Å²	49	38 Å²	38	23%	0.229	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-36	-175.7	178.2	62.4	69.3	0	0	112.5	H566 F577 V603	H566-Q606 PolarHBondContact NE2-NE2 3.35Å; H566-Q606 VanDerWaalsContact NE2-NE2 3.13Å; F577-Q606 HydrophobicContact CE1-CB 3.54Å; F577-Q606 HydrophobicContact CE1-CG 4.15Å; F577-Q606 HydrophobicContact CZ-CB 3.65Å; F577-Q606 HydrophobicContact CZ-CG 3.87Å; V603-Q606 PolarHBondContact O-N 3.35Å
607	W	93.3	Very high	92.5	Very high	2 Å²	2	38 Å²	38	1%	0.008	19%	0.194	C	C	.	.	S	Bend	trans	-125	112.4	177.1	-60.3	-83.1	0	0	0	109.3	F409 Y418 Y561 F570 F577 V603 I610	F409-W607 HydrophobicContact CE1-CD2 4.28Å; F409-W607 HydrophobicContact CE1-CE3 4.48Å; F409-W607 HydrophobicContact CE1-CG 4.35Å; F409-W607 HydrophobicContact CE2-CB 4.37Å; F409-W607 AromaticContact CE2-CD1 3.84Å; F409-W607 HydrophobicContact CE2-CG 4.04Å; F409-W607 HydrophobicContact CZ-CB 3.96Å; F409-W607 AromaticContact CZ-CD1 3.57Å; F409-W607 AromaticContact CZ-CD2 3.62Å; F409-W607 HydrophobicContact CZ-CD2 3.62Å; F409-W607 AromaticContact CZ-CE2 3.89Å; F409-W607 HydrophobicContact CZ-CE3 4.25Å; F409-W607 AromaticContact CZ-CG 3.45Å; F409-W607 HydrophobicContact CZ-CG 3.45Å; F409-W607 VanDerWaalsContact CZ-CG 3.45Å; F409-W607 AromaticContact CZ-NE1 3.82Å; Y418-W607 AromaticContact CD1-CD1 3.62Å; Y418-W607 HydrophobicContact CD2-CB 4.28Å; Y418-W607 AromaticContact CE1-CD1 3.58Å; Y418-W607 HydrophobicContact CE1-CG 4.5Å; Y418-W607 HydrophobicContact CE2-CB 4Å; Y418-W607 AromaticContact CG-CD1 3.98Å; Y418-W607 AromaticContact CZ-CD1 3.92Å; Y561-W607 WeakPolarHBondContact OH-CZ2 3.48Å; F570-W607 AromaticContact CD1-CH2 3.93Å; F570-W607 HydrophobicContact CD1-CH2 3.93Å; F570-W607 HydrophobicContact CE1-CH2 4.03Å; F570-W607 HydrophobicContact CE1-CZ2 4.5Å; F570-W607 HydrophobicContact CE2-CZ2 4.49Å; F570-W607 HydrophobicContact CG-CH2 4.2Å; F570-W607 HydrophobicContact CZ-CH2 4.4Å; F570-W607 HydrophobicContact CZ-CZ2 4.43Å; F577-W607 HydrophobicContact CB-CZ3 4.44Å; F577-W607 HydrophobicContact CD1-CE3 4.49Å; F577-W607 HydrophobicContact CD1-CH2 4.45Å; F577-W607 AromaticContact CD1-CZ3 3.66Å; F577-W607 HydrophobicContact CD1-CZ3 3.66Å; F577-W607 HydrophobicContact CD2-CH2 4.49Å; F577-W607 HydrophobicContact CD2-CZ3 4.46Å; F577-W607 HydrophobicContact CE1-CE3 4.49Å; F577-W607 AromaticContact CE1-CZ3 3.85Å; F577-W607 HydrophobicContact CE1-CZ3 3.85Å; F577-W607 HydrophobicContact CG-CH2 4.36Å; F577-W607 AromaticContact CG-CZ3 3.94Å; F577-W607 HydrophobicContact CG-CZ3 3.94Å; F577-W607 HydrophobicContact CZ-CZ3 4.32Å; V603-W607 HydrophobicContact CB-CE3 4.4Å; V603-W607 HydrophobicContact CG1-CE3 3.75Å; V603-W607 HydrophobicContact CG1-CZ3 4.4Å; V603-W607 PolarHBondContact O-N 3.44Å; W607-I610 HydrophobicContact CB-CD1 3.61Å
608	F	90.8	Very high	91.7	Very high	45 Å²	45	39 Å²	39	20%	0.197	20%	0.199	C	C	.	.			trans	-87.9	156.3	-174	-53.8	-63.6	0	0	0	112.9	W366 Y418 N423 T425 D604 I610	W366-F608 HydrophobicContact CH2-CD2 4.41Å; Y418-F608 WeakPolarHBondContact CE2-O 3.25Å; Y418-F608 PolarHBondContact OH-N 3.08Å; N423-F608 WeakPolarHBondContact ND2-CE2 3.42Å; T425-F608 PolarHBondContact OG1-O 3.14Å; D604-F608 WeakPolarHBondContact O-CD1 3.41Å; D604-F608 WeakPolarHBondContact O-CE1 3.45Å; F608-I610 VanDerWaalsContact C-N 3.34Å; F608-I610 PolarHBondContact O-N 3.37Å
609	D	90.2	Very high	90.2	Very high	2 Å²	2	45 Å²	45	1%	0.011	22%	0.224	C	C	.	.			trans	58.1	38.8	169.1	-40.4	-87.3	0	0	0	114.3	R369 Q373 T425 C611	R369-D609 IonicContact CZ-OD1 2.65Å; R369-D609 IonicContact CZ-OD2 3.26Å; R369-D609 IonicContact NE-OD1 3.7Å; R369-D609 PolarHBondContact NE-OD1 2.74Å; R369-D609 IonicContact NE-OD2 4Å; R369-D609 PolarHBondContact NE-OD2 3.18Å; R369-D609 VanDerWaalsContact NH2-CB 3.31Å; R369-D609 IonicContact NH2-OD1 3.47Å; R369-D609 PolarHBondContact NH2-OD1 3.19Å; R369-D609 IonicContact NH2-OD2 3.64Å; R369-D609 PolarHBondContact NH2-OD2 3.03Å; Q373-D609 PolarHBondContact NE2-OD1 3.48Å; T425-D609 WeakPolarHBondContact CB-O 3.36Å; T425-D609 VanDerWaalsContact OG1-C 3.3Å; T425-D609 PolarHBondContact OG1-O 3.41Å; D609-C611 PolarHBondContact O-N 3.34Å
610	I	93.9	Very high	88.2	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	24%	0.238	C	C	.	.			trans	-100.2	70.9	171.6	-53.7	170	0	0	0	107.9	C380 F384 F409 W416 Y418 W607 F608	C380-I610 VanDerWaalsContact CB-O 3.28Å; C380-I610 WeakPolarHBondContact CB-O 3.17Å; F384-I610 HydrophobicContact CE1-CG2 3.51Å; F384-I610 HydrophobicContact CZ-CB 4.22Å; F384-I610 HydrophobicContact CZ-CD1 4.33Å; F384-I610 HydrophobicContact CZ-CG2 3.56Å; F409-I610 HydrophobicContact CB-CD1 4.44Å; F409-I610 HydrophobicContact CB-CG2 4.28Å; F409-I610 HydrophobicContact CD1-CD1 3.85Å; F409-I610 HydrophobicContact CD2-CD1 3.49Å; F409-I610 VanDerWaalsContact CD2-CD1 3.49Å; F409-I610 HydrophobicContact CE1-CD1 3.92Å; F409-I610 HydrophobicContact CE2-CD1 3.56Å; F409-I610 HydrophobicContact CG-CD1 3.66Å; F409-I610 HydrophobicContact CZ-CD1 3.79Å; W416-I610 HydrophobicContact CB-CG2 4.12Å; W416-I610 HydrophobicContact CD2-CG2 3.65Å; W416-I610 HydrophobicContact CE3-CG2 4.03Å; W416-I610 HydrophobicContact CG-CG2 3.72Å; Y418-I610 HydrophobicContact CD2-CD1 4.35Å; Y418-I610 HydrophobicContact CD2-CG1 4.46Å; W607-I610 HydrophobicContact CB-CD1 3.61Å; F608-I610 VanDerWaalsContact C-N 3.34Å; F608-I610 PolarHBondContact O-N 3.37Å
611	C	92.9	Very high	87.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.			trans	-99	142.9	-169.5	-51.4	0	0	0	0	112.1	S256 E257 S259 C380 W416 D609	S256-C611 WeakPolarHBondContact O-CB 3.43Å; E257-C611 PolarHBondContact O-SG 3.43Å; S259-C611 WeakPolarHBondContact O-CB 3.37Å; C380-C611 VanDerWaalsContact CB-CA 3.49Å; C380-C611 HydrophobicContact CB-CB 3.71Å; C380-C611 WeakPolarHBondContact CB-SG 3.15Å; C380-C611 VanDerWaalsContact SG-CA 3.57Å; C380-C611 WeakPolarHBondContact SG-CB 3.24Å; C380-C611 CovalentContact SG-SG 2.01Å; C380-C611 PolarHBondContact SG-SG 3.18Å; W416-C611 VanDerWaalsContact CZ2-O 3.24Å; W416-C611 WeakPolarHBondContact CZ2-O 3.39Å; W416-C611 PolarHBondContact NE1-O 3Å; D609-C611 PolarHBondContact O-N 3.34Å
612	D	90.4	Very high	87.2	Confident	64 Å²	64	44.4 Å²	44.4	34%	0.342	22%	0.223	S	C	.	.			trans	-72.3	140.1	170.1	-70.9	-45.5	0	0	0	109.3	S256 R411	S256-D612 PolarHBondContact OG-O 3Å; R411-D612 IonicContact CZ-OD1 2.81Å; R411-D612 IonicContact CZ-OD2 3.79Å; R411-D612 IonicContact NH1-OD1 3.82Å; R411-D612 PolarHBondContact NH1-OD1 3.42Å; R411-D612 IonicContact NH1-OD2 2.79Å; R411-D612 PolarHBondContact NH1-OD2 3.17Å
613	V	92.7	Very high	86.8	Confident	10 Å²	10	44.7 Å²	44.7	6%	0.061	23%	0.226	C	C	.	.			trans	-119.8	127	174.9	176.2	0	0	0	0	107.3	R253 E257 P430 L618	R253-V613 HydrophobicContact CG-CG1 4.14Å; E257-V613 HydrophobicContact CG-CG2 3.96Å; P430-V613 VanDerWaalsContact CD-CG2 3.42Å; P430-V613 HydrophobicContact CG-CB 4.09Å; P430-V613 HydrophobicContact CG-CG2 4.17Å; V613-L618 HydrophobicContact CB-CD1 4.4Å; V613-L618 HydrophobicContact CB-CD2 3.94Å; V613-L618 HydrophobicContact CB-CG 4.21Å; V613-L618 HydrophobicContact CG1-CD2 3.68Å; V613-L618 HydrophobicContact CG1-CG 3.87Å; V613-L618 WeakPolarHBondContact O-CD1 3.43Å
614	H	91.8	Very high	86.3	Confident	47 Å²	47	46.8 Å²	46.8	22%	0.218	24%	0.236	C	C	.	.			trans	-57.3	136.3	-177.3	-171	-95.2	0	0	0	111	E262 T616 S617	E262-H614 HydrophobicContact CB-CB 4.29Å; E262-H614 IonicContact OE2-CD2 3.52Å; E262-H614 PolarHBondContact OE2-CD2 3.15Å; E262-H614 IonicContact OE2-CG 2.84Å; H614-T616 PolarHBondContact ND1-N 2.77Å; H614-T616 PolarHBondContact ND1-OG1 2.99Å; H614-T616 PolarHBondContact O-N 3.1Å; H614-S617 WeakPolarHBondContact O-CB 3.48Å; H614-S617 PolarHBondContact O-N 3.28Å
615	P	86.4	Confident	85.9	Confident	73 Å²	73	48.6 Å²	48.6	47%	0.474	25%	0.245	S	C	.	.	H	α-helix	trans	-57.2	-25.2	-173.3	-29.4	35.7	0	0	0	115.8	S617 L618 K619	P615-S617 PolarHBondContact O-N 2.93Å; P615-L618 PolarHBondContact O-N 3.32Å; P615-K619 PolarHBondContact O-N 3.27Å
616	T	83.7	Confident	85.6	Confident	51 Å²	51	43.7 Å²	43.7	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-66	-26.5	175.2	56.1	0	0	0	0	112.8	H614	H614-T616 PolarHBondContact ND1-N 2.77Å; H614-T616 PolarHBondContact ND1-OG1 2.99Å; H614-T616 PolarHBondContact O-N 3.1Å
617	S	84.2	Confident	85.1	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-88.7	-13.2	178.9	-52.9	0	0	0	0	112	F263 H614 P615	F263-S617 PolarHBondContact O-OG 2.88Å; H614-S617 WeakPolarHBondContact O-CB 3.48Å; H614-S617 PolarHBondContact O-N 3.28Å; P615-S617 PolarHBondContact O-N 2.93Å
618	L	80.8	Confident	84.5	Confident	21 Å²	21	46.5 Å²	46.5	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-90.8	-19.3	177	-63.5	175	0	0	0	113.4	W414 P430 V613 P615 L620	W414-L618 HydrophobicContact CD2-CD1 4.05Å; W414-L618 HydrophobicContact CE3-CD1 3.95Å; W414-L618 HydrophobicContact CH2-CB 3.72Å; W414-L618 HydrophobicContact CH2-CD1 3.5Å; W414-L618 VanDerWaalsContact CH2-CD1 3.5Å; W414-L618 HydrophobicContact CH2-CG 4.13Å; W414-L618 HydrophobicContact CZ2-CB 4.32Å; W414-L618 HydrophobicContact CZ2-CD1 3.54Å; W414-L618 HydrophobicContact CZ3-CB 4.21Å; W414-L618 HydrophobicContact CZ3-CD1 3.69Å; W414-L618 HydrophobicContact CZ3-CD2 4.32Å; W414-L618 HydrophobicContact CZ3-CG 4.29Å; P430-L618 HydrophobicContact CG-CD1 4.27Å; P430-L618 HydrophobicContact CG-CD2 4.16Å; V613-L618 HydrophobicContact CB-CD1 4.4Å; V613-L618 HydrophobicContact CB-CD2 3.94Å; V613-L618 HydrophobicContact CB-CG 4.21Å; V613-L618 HydrophobicContact CG1-CD2 3.68Å; V613-L618 HydrophobicContact CG1-CG 3.87Å; V613-L618 WeakPolarHBondContact O-CD1 3.43Å; P615-L618 PolarHBondContact O-N 3.32Å; L618-L620 VanDerWaalsContact C-N 3.25Å; L618-L620 PolarHBondContact O-N 3.35Å
619	K	65.2	Low	84	Confident	165 Å²	165	46.6 Å²	46.6	72%	0.717	24%	0.242	S	C	*	.			trans	-77.3	79.4	170.4	-67.6	-179.3	-175.5	178.9	0	108.8	P615	P615-K619 PolarHBondContact O-N 3.27Å
620	L	55.9	Low	83.4	Confident	121 Å²	121	50.6 Å²	50.6	63%	0.634	26%	0.263	S	S	*	.			trans	-79.2	0	171.6	-68.3	175.5	0	0	0	110.8	Y246 L618	Y246-L620 HydrophobicContact CD2-CD2 4.36Å; Y246-L620 HydrophobicContact CE2-CB 4.29Å; Y246-L620 HydrophobicContact CE2-CD2 3.78Å; L618-L620 VanDerWaalsContact C-N 3.25Å; L618-L620 PolarHBondContact O-N 3.35Å

Retrieved 620 of 620 residues in 721.1 ms (Link to these results)

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