A0A077ZGN3_TRITR Loading...

Kringle domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGN3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 312 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	36.4	Very low	241 Å²	241	123.5 Å²	123.5	100%	1.187	65%	0.648	S	S	*	*				0	137.4	0	-90.4	169.2	178	0	0	108.3
2	Y	30.7	Very low	37.5	Very low	217 Å²	217	120.1 Å²	120.1	85%	0.851	63%	0.631	S	S	*	*			trans	-41.8	119.8	-163.1	-61.5	-92.6	0	0	0	117.1	Y4	Y2-Y4 HydrophobicContact CD1-CD2 4.26Å
3	S	32.7	Very low	38.4	Very low	98 Å²	98	114.6 Å²	114.6	69%	0.685	60%	0.602	S	S	*	*			trans	-118.5	74.5	157.4	178.5	0	0	0	0	107.9
4	Y	33.9	Very low	39	Very low	179 Å²	179	117 Å²	117	70%	0.702	61%	0.608	S	S	*	*			trans	-117.3	-6.3	174	-82.9	-81.9	0	0	0	112.7	Y2	Y2-Y4 HydrophobicContact CD1-CD2 4.26Å
5	G	35.7	Very low	39.6	Very low	57 Å²	57	117.6 Å²	117.6	59%	0.588	61%	0.605	S	S	*	*	H	α-helix	trans	-77.5	-34.8	-176.5	0	0	0	0	0	115
6	S	41.4	Very low	40.2	Very low	70 Å²	70	112.9 Å²	112.9	49%	0.49	58%	0.58	S	S	.	*	H	α-helix	trans	-80.4	-32.6	-173.6	60.4	0	0	0	0	113.7	Q9 N10	S6-Q9 PolarHBondContact O-N 2.66Å; S6-N10 PolarHBondContact O-N 3.42Å; S6-N10 VanDerWaalsContact O-N 3.15Å
7	A	31.6	Very low	40.6	Very low	50 Å²	50	113.1 Å²	113.1	41%	0.413	58%	0.576	S	S	.	*	H	α-helix	trans	-67.4	-46.5	-177.8	0	0	0	0	0	112.1	Q9 N10 E11	A7-Q9 PolarHBondContact O-N 3.21Å; A7-N10 PolarHBondContact O-N 2.91Å; A7-E11 PolarHBondContact O-N 3.28Å
8	L	37.3	Very low	40.7	Very low	107 Å²	107	111.1 Å²	111.1	56%	0.56	57%	0.574	S	S	*	*	H	α-helix	trans	-63.5	-29.7	178.4	-74.5	168.2	0	0	0	112.9	N12	L8-N12 WeakPolarHBondContact O-CB 3.32Å; L8-N12 PolarHBondContact O-N 2.87Å; L8-N12 PolarHBondContact O-ND2 2.87Å
9	Q	42.5	Very low	41.1	Very low	104 Å²	104	111.7 Å²	111.7	49%	0.486	57%	0.569	S	S	.	*	H	α-helix	trans	-76.8	-37.9	178	-151.4	159.4	5.3	0	0	111.3	S6 A7 I13	S6-Q9 PolarHBondContact O-N 2.66Å; A7-Q9 PolarHBondContact O-N 3.21Å; Q9-I13 WeakPolarHBondContact O-CD1 3.4Å; Q9-I13 VanDerWaalsContact O-CG1 3.23Å; Q9-I13 WeakPolarHBondContact O-CG1 3.04Å; Q9-I13 PolarHBondContact O-N 3.26Å; Q9-I13 VanDerWaalsContact O-N 3.13Å
10	N	40.2	Very low	41.4	Very low	105 Å²	105	108.7 Å²	108.7	56%	0.561	55%	0.554	S	S	*	*	H	α-helix	trans	-70.8	-42.7	175.4	-82.7	-21.1	0	0	0	112.9	S6 A7 N12 I13 E14	S6-N10 PolarHBondContact O-N 3.42Å; S6-N10 VanDerWaalsContact O-N 3.15Å; A7-N10 PolarHBondContact O-N 2.91Å; N10-N12 VanDerWaalsContact C-N 3.31Å; N10-N12 PolarHBondContact O-N 3.07Å; N10-I13 PolarHBondContact O-N 3.45Å; N10-I13 VanDerWaalsContact O-N 3.14Å; N10-E14 PolarHBondContact O-N 3.49Å
11	E	41.2	Very low	41.5	Very low	130 Å²	130	112.5 Å²	112.5	61%	0.607	57%	0.567	S	S	*	*	H	α-helix	trans	-61.8	-39.7	176.1	-75.3	-178.4	176.7	0	0	111.4	A7 I13 E14 F15	A7-E11 PolarHBondContact O-N 3.28Å; E11-I13 PolarHBondContact O-N 2.79Å; E11-E14 PolarHBondContact O-N 3.28Å; E11-F15 WeakPolarHBondContact O-CB 3.32Å; E11-F15 PolarHBondContact O-N 3.23Å
12	N	50.3	Low	42.1	Very low	83 Å²	83	104.4 Å²	104.4	44%	0.444	54%	0.544	S	S	.	.	H	α-helix	trans	-66.7	-34.8	174.5	-82.9	-48.1	0	0	0	112.8	L8 N10 M16	L8-N12 WeakPolarHBondContact O-CB 3.32Å; L8-N12 PolarHBondContact O-N 2.87Å; L8-N12 PolarHBondContact O-ND2 2.87Å; N10-N12 VanDerWaalsContact C-N 3.31Å; N10-N12 PolarHBondContact O-N 3.07Å; N12-M16 VanDerWaalsContact O-CB 3.27Å; N12-M16 WeakPolarHBondContact O-CB 3.44Å; N12-M16 WeakPolarHBondContact O-CG 3.18Å; N12-M16 PolarHBondContact O-N 3.07Å
13	I	49.1	Very low	42.9	Very low	49 Å²	49	97.4 Å²	97.4	25%	0.251	52%	0.519	S	S	.	.	H	α-helix	trans	-70.5	-43.9	176	-69.3	164.9	0	0	0	110.7	Q9 N10 E11 M16 K17	Q9-I13 WeakPolarHBondContact O-CD1 3.4Å; Q9-I13 VanDerWaalsContact O-CG1 3.23Å; Q9-I13 WeakPolarHBondContact O-CG1 3.04Å; Q9-I13 PolarHBondContact O-N 3.26Å; Q9-I13 VanDerWaalsContact O-N 3.13Å; N10-I13 PolarHBondContact O-N 3.45Å; N10-I13 VanDerWaalsContact O-N 3.14Å; E11-I13 PolarHBondContact O-N 2.79Å; I13-M16 PolarHBondContact O-N 2.87Å; I13-K17 HydrophobicContact CG2-CD 4.17Å; I13-K17 HydrophobicContact CG2-CG 4.49Å; I13-K17 WeakPolarHBondContact O-CB 3.11Å; I13-K17 VanDerWaalsContact O-CG 3.31Å; I13-K17 WeakPolarHBondContact O-CG 3.12Å; I13-K17 PolarHBondContact O-N 3.07Å
14	E	46.2	Very low	43.7	Very low	148 Å²	148	97 Å²	97	69%	0.692	52%	0.515	S	S	*	.	H	α-helix	trans	-66.4	-39.8	175.3	-78.2	-146.2	144.9	0	0	112	N10 E11 K17 S18	N10-E14 PolarHBondContact O-N 3.49Å; E11-E14 PolarHBondContact O-N 3.28Å; E14-K17 CarbonylContact O-C 3.56Å; E14-K17 PolarHBondContact O-N 2.8Å; E14-S18 WeakPolarHBondContact O-CA 3.3Å; E14-S18 WeakPolarHBondContact O-CB 3.48Å; E14-S18 PolarHBondContact O-N 2.91Å
15	F	47.6	Very low	44.7	Very low	126 Å²	126	92.1 Å²	92.1	55%	0.553	51%	0.511	S	S	*	.	H	α-helix	trans	-61.5	-44.9	172.6	-178.5	-97.2	0	0	0	111	E11 K17 S18 Y19	E11-F15 WeakPolarHBondContact O-CB 3.32Å; E11-F15 PolarHBondContact O-N 3.23Å; F15-K17 PolarHBondContact O-N 2.78Å; F15-S18 PolarHBondContact O-N 3.45Å; F15-Y19 WeakPolarHBondContact O-CB 3.38Å; F15-Y19 PolarHBondContact O-N 3.32Å
16	M	49.8	Very low	45.6	Very low	43 Å²	43	96.4 Å²	96.4	21%	0.212	51%	0.514	C	S	.	.	H	α-helix	trans	-63.9	-40.1	175	-75.9	-74.5	-75.1	0	0	112.1	N12 I13 L20	N12-M16 VanDerWaalsContact O-CB 3.27Å; N12-M16 WeakPolarHBondContact O-CB 3.44Å; N12-M16 WeakPolarHBondContact O-CG 3.18Å; N12-M16 PolarHBondContact O-N 3.07Å; I13-M16 PolarHBondContact O-N 2.87Å; M16-L20 WeakPolarHBondContact O-CB 3.24Å; M16-L20 WeakPolarHBondContact O-CD1 3.43Å; M16-L20 WeakPolarHBondContact O-CG 3.5Å; M16-L20 PolarHBondContact O-N 3.44Å
17	K	47	Very low	46.3	Very low	116 Å²	116	94.6 Å²	94.6	50%	0.504	50%	0.5	S	S	.	.	H	α-helix	trans	-67.7	-38.4	174.4	-75.6	178.2	177.7	-174.8	0	112.5	I13 E14 F15 L20 K21	I13-K17 HydrophobicContact CG2-CD 4.17Å; I13-K17 HydrophobicContact CG2-CG 4.49Å; I13-K17 WeakPolarHBondContact O-CB 3.11Å; I13-K17 VanDerWaalsContact O-CG 3.31Å; I13-K17 WeakPolarHBondContact O-CG 3.12Å; I13-K17 PolarHBondContact O-N 3.07Å; E14-K17 CarbonylContact O-C 3.56Å; E14-K17 PolarHBondContact O-N 2.8Å; F15-K17 PolarHBondContact O-N 2.78Å; K17-L20 CarbonylContact O-C 3.59Å; K17-L20 PolarHBondContact O-N 2.98Å; K17-K21 WeakPolarHBondContact O-CG 3.29Å; K17-K21 PolarHBondContact O-N 3.3Å
18	S	43.1	Very low	47.4	Very low	77 Å²	77	96.5 Å²	96.5	54%	0.538	50%	0.503	S	S	.	.	H	α-helix	trans	-67.1	-44.4	175.5	177.1	0	0	0	0	110.7	E14 F15 L20 K21 G22	E14-S18 WeakPolarHBondContact O-CA 3.3Å; E14-S18 WeakPolarHBondContact O-CB 3.48Å; E14-S18 PolarHBondContact O-N 2.91Å; F15-S18 PolarHBondContact O-N 3.45Å; S18-L20 VanDerWaalsContact C-N 3.3Å; S18-L20 PolarHBondContact O-N 3.16Å; S18-K21 WeakPolarHBondContact O-CB 3.49Å; S18-K21 PolarHBondContact O-N 3.41Å; S18-K21 VanDerWaalsContact O-N 3.12Å; S18-G22 PolarHBondContact O-N 2.94Å
19	Y	47.2	Very low	48.4	Very low	122 Å²	122	94.3 Å²	94.3	48%	0.478	50%	0.501	S	S	.	.	H	α-helix	trans	-56.2	-48.8	171.4	-166.8	-108.6	0	0	0	109	F15 K21 G22 F23	F15-Y19 WeakPolarHBondContact O-CB 3.38Å; F15-Y19 PolarHBondContact O-N 3.32Å; Y19-K21 PolarHBondContact O-N 2.87Å; Y19-G22 PolarHBondContact O-N 3.1Å; Y19-F23 HydrophobicContact CD1-CD2 4.42Å; Y19-F23 AromaticContact CD1-CE2 3.39Å; Y19-F23 HydrophobicContact CD1-CE2 3.39Å; Y19-F23 AromaticContact CD1-CZ 3.94Å; Y19-F23 HydrophobicContact CD1-CZ 3.94Å; Y19-F23 AromaticContact CE1-CE2 3.28Å; Y19-F23 HydrophobicContact CE1-CE2 3.28Å; Y19-F23 AromaticContact CE1-CZ 3.34Å; Y19-F23 HydrophobicContact CE1-CZ 3.34Å; Y19-F23 HydrophobicContact CE2-CE2 4.43Å; Y19-F23 HydrophobicContact CG-CE2 4.02Å; Y19-F23 AromaticContact CZ-CE2 3.83Å; Y19-F23 AromaticContact CZ-CZ 3.8Å; Y19-F23 WeakPolarHBondContact O-CD2 3.43Å; Y19-F23 VanDerWaalsContact O-CE2 3.32Å; Y19-F23 WeakPolarHBondContact O-CE2 3.23Å
20	L	46.7	Very low	49.4	Very low	52 Å²	52	92.5 Å²	92.5	27%	0.272	49%	0.491	S	S	.	.	H	α-helix	trans	-63.3	-32.1	175.5	-72.8	167.6	0	0	0	114.5	M16 K17 S18 G22 F23	M16-L20 WeakPolarHBondContact O-CB 3.24Å; M16-L20 WeakPolarHBondContact O-CD1 3.43Å; M16-L20 WeakPolarHBondContact O-CG 3.5Å; M16-L20 PolarHBondContact O-N 3.44Å; K17-L20 CarbonylContact O-C 3.59Å; K17-L20 PolarHBondContact O-N 2.98Å; S18-L20 VanDerWaalsContact C-N 3.3Å; S18-L20 PolarHBondContact O-N 3.16Å; L20-G22 PolarHBondContact O-N 3.15Å; L20-F23 WeakPolarHBondContact O-CB 3.36Å; L20-F23 PolarHBondContact O-N 3.44Å
21	K	44.7	Very low	50.7	Low	189 Å²	189	88.6 Å²	88.6	82%	0.822	47%	0.472	S	S	*	.	H	α-helix	trans	-62.9	-23	176.7	-82.5	177.9	180	-179.8	0	112.8	K17 S18 Y19	K17-K21 WeakPolarHBondContact O-CG 3.29Å; K17-K21 PolarHBondContact O-N 3.3Å; S18-K21 WeakPolarHBondContact O-CB 3.49Å; S18-K21 PolarHBondContact O-N 3.41Å; S18-K21 VanDerWaalsContact O-N 3.12Å; Y19-K21 PolarHBondContact O-N 2.87Å
22	G	45.4	Very low	51.8	Low	70 Å²	70	86.6 Å²	86.6	72%	0.722	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.9	173.5	0	0	0	0	0	115.2	S18 Y19 L20	S18-G22 PolarHBondContact O-N 2.94Å; Y19-G22 PolarHBondContact O-N 3.1Å; L20-G22 PolarHBondContact O-N 3.15Å
23	F	47.5	Very low	53.1	Low	71 Å²	71	85.3 Å²	85.3	31%	0.311	46%	0.461	S	S	.	.	S	Bend	trans	-90.6	141.7	-169.7	-88.6	-95.9	0	0	0	115.3	Y19 L20 C27	Y19-F23 HydrophobicContact CD1-CD2 4.42Å; Y19-F23 AromaticContact CD1-CE2 3.39Å; Y19-F23 HydrophobicContact CD1-CE2 3.39Å; Y19-F23 AromaticContact CD1-CZ 3.94Å; Y19-F23 HydrophobicContact CD1-CZ 3.94Å; Y19-F23 AromaticContact CE1-CE2 3.28Å; Y19-F23 HydrophobicContact CE1-CE2 3.28Å; Y19-F23 AromaticContact CE1-CZ 3.34Å; Y19-F23 HydrophobicContact CE1-CZ 3.34Å; Y19-F23 HydrophobicContact CE2-CE2 4.43Å; Y19-F23 HydrophobicContact CG-CE2 4.02Å; Y19-F23 AromaticContact CZ-CE2 3.83Å; Y19-F23 AromaticContact CZ-CZ 3.8Å; Y19-F23 WeakPolarHBondContact O-CD2 3.43Å; Y19-F23 VanDerWaalsContact O-CE2 3.32Å; Y19-F23 WeakPolarHBondContact O-CE2 3.23Å; L20-F23 WeakPolarHBondContact O-CB 3.36Å; L20-F23 PolarHBondContact O-N 3.44Å; F23-C27 HydrophobicContact CB-CB 3.72Å; F23-C27 HydrophobicContact CD1-CB 3.47Å; F23-C27 VanDerWaalsContact CD1-CB 3.47Å; F23-C27 WeakPolarHBondContact CD1-SG 3.44Å; F23-C27 HydrophobicContact CE1-CB 4.33Å; F23-C27 HydrophobicContact CG-CB 3.77Å
24	C	50.1	Low	54.7	Low	89 Å²	89	83.2 Å²	83.2	60%	0.601	45%	0.451	S	S	*	.			trans	-37.8	139.1	159.3	175.5	0	0	0	0	111.9	K26 C27	C24-K26 PolarHBondContact O-N 3.13Å; C24-C27 PolarHBondContact O-N 2.66Å
25	A	53.4	Low	56.4	Low	76 Å²	76	80.6 Å²	80.6	63%	0.628	44%	0.441	S	S	*	.	H	α-helix	trans	-44	-30.1	178.2	0	0	0	0	0	114.3	C27 I28 A29	A25-C27 PolarHBondContact O-N 3Å; A25-I28 PolarHBondContact O-N 3.09Å; A25-A29 PolarHBondContact O-N 3.14Å
26	K	55	Low	58	Low	148 Å²	148	77.9 Å²	77.9	64%	0.643	43%	0.428	S	S	*	.	H	α-helix	trans	-61.7	-33.7	175.8	-165.3	171.6	-174	173.5	0	114.1	C24 K30	C24-K26 PolarHBondContact O-N 3.13Å; K26-K30 WeakPolarHBondContact O-CG 3.31Å; K26-K30 PolarHBondContact O-N 3.19Å
27	C	55.7	Low	59.9	Low	31 Å²	31	76.4 Å²	76.4	21%	0.209	42%	0.421	C	S	.	.	H	α-helix	trans	-85	-31.2	179.7	-57.8	0	0	0	0	112.3	F23 C24 A25 A29 K30 S31	F23-C27 HydrophobicContact CB-CB 3.72Å; F23-C27 HydrophobicContact CD1-CB 3.47Å; F23-C27 VanDerWaalsContact CD1-CB 3.47Å; F23-C27 WeakPolarHBondContact CD1-SG 3.44Å; F23-C27 HydrophobicContact CE1-CB 4.33Å; F23-C27 HydrophobicContact CG-CB 3.77Å; C24-C27 PolarHBondContact O-N 2.66Å; A25-C27 PolarHBondContact O-N 3Å; C27-A29 VanDerWaalsContact C-N 3.32Å; C27-A29 PolarHBondContact O-N 2.84Å; C27-K30 PolarHBondContact O-N 3.22Å; C27-S31 PolarHBondContact O-N 3.49Å
28	I	55.8	Low	61.9	Low	90 Å²	90	73.1 Å²	73.1	46%	0.462	41%	0.409	S	S	.	.	H	α-helix	trans	-57.5	-49.8	167.7	-60.6	174.8	0	0	0	109	A25 K30 S31 V32	A25-I28 PolarHBondContact O-N 3.09Å; I28-K30 VanDerWaalsContact C-N 3.3Å; I28-K30 PolarHBondContact O-N 3.33Å; I28-S31 PolarHBondContact O-N 3.32Å; I28-S31 VanDerWaalsContact O-N 3.11Å; I28-S31 PolarHBondContact O-OG 3.14Å; I28-V32 WeakPolarHBondContact O-CG2 3.14Å; I28-V32 PolarHBondContact O-N 2.83Å
29	A	57.3	Low	63.8	Low	62 Å²	62	71 Å²	71	51%	0.512	40%	0.396	S	S	.	.	H	α-helix	trans	-57.4	-38.7	177.1	0	0	0	0	0	113.5	A25 C27 V32 L33	A25-A29 PolarHBondContact O-N 3.14Å; C27-A29 VanDerWaalsContact C-N 3.32Å; C27-A29 PolarHBondContact O-N 2.84Å; A29-V32 PolarHBondContact O-N 3.38Å; A29-L33 PolarHBondContact O-N 2.87Å; A29-L33 VanDerWaalsContact O-N 3.12Å
30	K	64	Low	65.6	Low	66 Å²	66	66.8 Å²	66.8	29%	0.287	38%	0.38	S	S	.	.	H	α-helix	trans	-70.7	-34.5	176.5	-74.4	-176.1	176.1	-165.4	0	113.5	K26 C27 I28 L33 S34 L53	K26-K30 WeakPolarHBondContact O-CG 3.31Å; K26-K30 PolarHBondContact O-N 3.19Å; C27-K30 PolarHBondContact O-N 3.22Å; I28-K30 VanDerWaalsContact C-N 3.3Å; I28-K30 PolarHBondContact O-N 3.33Å; K30-L33 PolarHBondContact O-N 3.42Å; K30-S34 PolarHBondContact O-N 3Å; K30-S34 VanDerWaalsContact O-N 3.13Å; K30-S34 PolarHBondContact O-OG 3.31Å; K30-L53 HydrophobicContact CB-CD1 3.91Å
31	S	66.6	Low	67.5	Low	23 Å²	23	64.5 Å²	64.5	16%	0.161	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-44.5	173.4	68.6	0	0	0	0	111.1	C27 I28 L33 S34 D35	C27-S31 PolarHBondContact O-N 3.49Å; I28-S31 PolarHBondContact O-N 3.32Å; I28-S31 VanDerWaalsContact O-N 3.11Å; I28-S31 PolarHBondContact O-OG 3.14Å; S31-L33 VanDerWaalsContact C-N 3.28Å; S31-L33 PolarHBondContact O-N 3.4Å; S31-S34 WeakPolarHBondContact O-CA 3.39Å; S31-S34 WeakPolarHBondContact O-CB 3.27Å; S31-S34 PolarHBondContact O-N 3.07Å; S31-D35 PolarHBondContact O-N 2.87Å
32	V	65.7	Low	69.8	Low	88 Å²	88	56 Å²	56	53%	0.533	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-38.6	175.7	175.1	0	0	0	0	111.7	I28 A29 S34 D35 Y36	I28-V32 WeakPolarHBondContact O-CG2 3.14Å; I28-V32 PolarHBondContact O-N 2.83Å; A29-V32 PolarHBondContact O-N 3.38Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 3.34Å; V32-D35 PolarHBondContact O-N 3.3Å; V32-Y36 PolarHBondContact O-N 2.72Å; V32-Y36 VanDerWaalsContact O-N 3.08Å
33	L	77.6	Confident	72	Confident	56 Å²	56	53 Å²	53	29%	0.293	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-37.1	175	-172.5	63.4	0	0	0	112	A29 K30 S31 Y36 V37	A29-L33 PolarHBondContact O-N 2.87Å; A29-L33 VanDerWaalsContact O-N 3.12Å; K30-L33 PolarHBondContact O-N 3.42Å; S31-L33 VanDerWaalsContact C-N 3.28Å; S31-L33 PolarHBondContact O-N 3.4Å; L33-Y36 PolarHBondContact O-N 2.88Å; L33-V37 WeakPolarHBondContact O-CG2 3.5Å; L33-V37 PolarHBondContact O-N 2.85Å
34	S	82.7	Confident	74	Confident	4 Å²	4	55.7 Å²	55.7	3%	0.028	31%	0.309	C	S	.	.	H	α-helix	trans	-69	-41.5	178.1	-55	0	0	0	0	111.6	K30 S31 V32 Y36 V37 D38 L53 G54	K30-S34 PolarHBondContact O-N 3Å; K30-S34 VanDerWaalsContact O-N 3.13Å; K30-S34 PolarHBondContact O-OG 3.31Å; S31-S34 WeakPolarHBondContact O-CA 3.39Å; S31-S34 WeakPolarHBondContact O-CB 3.27Å; S31-S34 PolarHBondContact O-N 3.07Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 3.34Å; S34-Y36 VanDerWaalsContact C-N 3.26Å; S34-Y36 PolarHBondContact O-N 2.96Å; S34-V37 WeakPolarHBondContact O-CB 3.44Å; S34-V37 PolarHBondContact O-N 2.71Å; S34-V37 VanDerWaalsContact O-N 3.16Å; S34-D38 PolarHBondContact O-N 3.36Å; S34-L53 PolarHBondContact OG-N 3.1Å; S34-G54 VanDerWaalsContact CB-N 3.33Å
35	D	81.3	Confident	75.9	Confident	93 Å²	93	57.8 Å²	57.8	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-62.4	-35.7	174.9	-67	-11.9	0	0	0	111.8	S31 V32 A39 R226	S31-D35 PolarHBondContact O-N 2.87Å; V32-D35 PolarHBondContact O-N 3.3Å; D35-A39 WeakPolarHBondContact O-CB 3.47Å; D35-A39 PolarHBondContact O-N 3.24Å; D35-R226 PolarHBondContact O-NH2 3.48Å
36	Y	82.3	Confident	77.5	Confident	70 Å²	70	60.3 Å²	60.3	28%	0.275	31%	0.309	S	S	.	.	H	α-helix	trans	-67.9	-41.7	173.8	178.3	-93.3	0	0	0	112.6	V32 L33 S34 K40	V32-Y36 PolarHBondContact O-N 2.72Å; V32-Y36 VanDerWaalsContact O-N 3.08Å; L33-Y36 PolarHBondContact O-N 2.88Å; S34-Y36 VanDerWaalsContact C-N 3.26Å; S34-Y36 PolarHBondContact O-N 2.96Å; Y36-K40 HydrophobicContact CE1-CD 3.74Å; Y36-K40 HydrophobicContact CE1-CG 4.37Å; Y36-K40 HydrophobicContact CE2-CD 4.06Å; Y36-K40 HydrophobicContact CE2-CG 4.45Å; Y36-K40 PolarHBondContact O-N 3.25Å; Y36-K40 WeakPolarHBondContact OH-CE 3.39Å; Y36-K40 PolarHBondContact OH-NZ 3.12Å
37	V	89.3	Confident	79.1	Confident	12 Å²	12	55.4 Å²	55.4	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-44.8	174.6	162.8	0	0	0	0	111.3	L33 S34 K40 G41 I43 Y52 F119	L33-V37 WeakPolarHBondContact O-CG2 3.5Å; L33-V37 PolarHBondContact O-N 2.85Å; S34-V37 WeakPolarHBondContact O-CB 3.44Å; S34-V37 PolarHBondContact O-N 2.71Å; S34-V37 VanDerWaalsContact O-N 3.16Å; V37-K40 PolarHBondContact O-N 3.5Å; V37-G41 PolarHBondContact O-N 3.42Å; V37-I43 HydrophobicContact CB-CG1 4.3Å; V37-I43 HydrophobicContact CG1-CD1 3.83Å; V37-I43 HydrophobicContact CG1-CG1 3.34Å; V37-I43 HydrophobicContact CG2-CG1 3.95Å; V37-Y52 HydrophobicContact CG1-CD2 4.31Å; V37-Y52 HydrophobicContact CG1-CE2 4.14Å; V37-F119 HydrophobicContact CG1-CD1 3.87Å; V37-F119 HydrophobicContact CG1-CD2 4.4Å; V37-F119 HydrophobicContact CG1-CE1 3.51Å; V37-F119 HydrophobicContact CG1-CE2 4.09Å; V37-F119 HydrophobicContact CG1-CG 4.28Å; V37-F119 HydrophobicContact CG1-CZ 3.61Å
38	D	87.9	Confident	80.6	Confident	47 Å²	47	54.6 Å²	54.6	25%	0.251	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-47.8	178.6	-78.2	-18.9	0	0	0	111.3	S34 K40 G41 Y52 L55 F119	S34-D38 PolarHBondContact O-N 3.36Å; D38-K40 PolarHBondContact O-N 3.43Å; D38-G41 PolarHBondContact O-N 3.04Å; D38-G41 VanDerWaalsContact O-N 3.17Å; D38-Y52 WeakPolarHBondContact OD1-CE2 3.15Å; D38-Y52 PolarHBondContact OD1-OH 3.14Å; D38-Y52 PolarHBondContact OD2-OH 3.21Å; D38-L55 PolarHBondContact OD2-N 3.37Å; D38-F119 VanDerWaalsContact OD1-CZ 3.29Å; D38-F119 WeakPolarHBondContact OD1-CZ 3.05Å
39	A	83	Confident	82.1	Confident	31 Å²	31	53 Å²	53	26%	0.256	28%	0.279	S	S	.	.	H	α-helix	trans	-64.9	-36.8	179.1	0	0	0	0	0	113.4	D35 G41 R226 Y283	D35-A39 WeakPolarHBondContact O-CB 3.47Å; D35-A39 PolarHBondContact O-N 3.24Å; A39-G41 VanDerWaalsContact C-N 3.33Å; A39-R226 VanDerWaalsContact CB-NE 3.3Å; A39-Y283 WeakPolarHBondContact O-CD1 3.15Å; A39-Y283 WeakPolarHBondContact O-CE1 3.34Å
40	K	84.8	Confident	83.4	Confident	35 Å²	35	53 Å²	53	15%	0.152	27%	0.27	C	S	.	.	H	α-helix	trans	-78.9	-16.4	175.2	-74	-154.8	168	-168.8	0	113.7	Y36 V37 D38 C42 R125 D282 Y283	Y36-K40 HydrophobicContact CE1-CD 3.74Å; Y36-K40 HydrophobicContact CE1-CG 4.37Å; Y36-K40 HydrophobicContact CE2-CD 4.06Å; Y36-K40 HydrophobicContact CE2-CG 4.45Å; Y36-K40 PolarHBondContact O-N 3.25Å; Y36-K40 WeakPolarHBondContact OH-CE 3.39Å; Y36-K40 PolarHBondContact OH-NZ 3.12Å; V37-K40 PolarHBondContact O-N 3.5Å; D38-K40 PolarHBondContact O-N 3.43Å; K40-C42 PolarHBondContact O-N 2.99Å; K40-C42 VanDerWaalsContact O-N 3.12Å; K40-R125 PolarHBondContact O-NH1 3.46Å; K40-D282 WeakPolarHBondContact CE-O 3.37Å; K40-D282 PolarHBondContact NZ-O 3.36Å; K40-Y283 HydrophobicContact CB-CD2 4.48Å; K40-Y283 HydrophobicContact CD-CD2 4.38Å; K40-Y283 HydrophobicContact CG-CD2 3.93Å; K40-Y283 HydrophobicContact CG-CG 3.92Å
41	G	88.4	Confident	84.4	Confident	4 Å²	4	53.8 Å²	53.8	4%	0.041	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	21.4	-173.9	0	0	0	0	0	114.8	V37 D38 A39	V37-G41 PolarHBondContact O-N 3.42Å; D38-G41 PolarHBondContact O-N 3.04Å; D38-G41 VanDerWaalsContact O-N 3.17Å; A39-G41 VanDerWaalsContact C-N 3.33Å
42	C	91.3	Very high	85.6	Confident	11 Å²	11	53.1 Å²	53.1	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	159.9	178.1	68.9	0	0	0	0	111.9	K40 R120 C122 R125	K40-C42 PolarHBondContact O-N 2.99Å; K40-C42 VanDerWaalsContact O-N 3.12Å; C42-R120 WeakPolarHBondContact CA-O 3.46Å; C42-C122 HydrophobicContact CB-CB 3.93Å; C42-C122 WeakPolarHBondContact CB-SG 3.45Å; C42-C122 WeakPolarHBondContact SG-CA 3.47Å; C42-C122 WeakPolarHBondContact SG-CB 3.32Å; C42-C122 CovalentContact SG-SG 2.05Å; C42-C122 PolarHBondContact SG-SG 2.79Å; C42-R125 HydrophobicContact CB-CB 4.14Å; C42-R125 HydrophobicContact CB-CG 4.5Å
43	I	92	Very high	86.7	Confident	7 Å²	7	51.8 Å²	51.8	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.6	179.1	-65	175.7	0	0	0	110.2	V37 N47 T48 P103 F119 R120 T121 C122	V37-I43 HydrophobicContact CB-CG1 4.3Å; V37-I43 HydrophobicContact CG1-CD1 3.83Å; V37-I43 HydrophobicContact CG1-CG1 3.34Å; V37-I43 HydrophobicContact CG2-CG1 3.95Å; I43-N47 HydrophobicContact CG2-CB 4.17Å; I43-T48 HydrophobicContact CG2-CG2 3.96Å; I43-P103 HydrophobicContact CD1-CG 3.53Å; I43-F119 HydrophobicContact CD1-CB 3.77Å; I43-F119 HydrophobicContact CD1-CD2 3.55Å; I43-F119 HydrophobicContact CD1-CE2 4.23Å; I43-F119 HydrophobicContact CD1-CG 3.73Å; I43-F119 HydrophobicContact CG1-CB 3.86Å; I43-F119 HydrophobicContact CG1-CD1 4.41Å; I43-F119 HydrophobicContact CG1-CD2 4.24Å; I43-F119 HydrophobicContact CG1-CG 3.93Å; I43-R120 PolarHBondContact N-O 2.77Å; I43-T121 CarbonylContact O-C 3.56Å; I43-T121 WeakPolarHBondContact O-CA 3.41Å; I43-C122 PolarHBondContact O-N 3.4Å
44	R	90.7	Very high	87.2	Confident	126 Å²	126	49.2 Å²	49.2	48%	0.475	24%	0.244	S	C	.	.			trans	-71.8	141.1	172.5	-67.5	-174.1	170.9	176.1	-3.2	109.7	Q46 N47 T48	R44-Q46 HydrophobicContact CB-CG 4.42Å; R44-Q46 PolarHBondContact O-N 3.46Å; R44-Q46 VanDerWaalsContact O-N 3.13Å; R44-N47 WeakPolarHBondContact O-CA 3.03Å; R44-N47 PolarHBondContact O-N 2.87Å; R44-T48 PolarHBondContact O-N 3.42Å
45	Q	88.8	Confident	87.6	Confident	133 Å²	133	52.8 Å²	52.8	62%	0.621	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-55.3	-36.9	-172.9	-165.4	175.6	27	0	0	113.4	N47 T48	Q45-N47 PolarHBondContact O-N 3.33Å; Q45-T48 PolarHBondContact O-N 2.82Å; Q45-T48 PolarHBondContact O-OG1 2.72Å
46	Q	87.6	Confident	88.1	Confident	129 Å²	129	49.1 Å²	49.1	60%	0.603	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-66.9	-17.9	176.8	64.6	-93.6	39.5	0	0	114.7	R44	R44-Q46 HydrophobicContact CB-CG 4.42Å; R44-Q46 PolarHBondContact O-N 3.46Å; R44-Q46 VanDerWaalsContact O-N 3.13Å
47	N	88.6	Confident	88.7	Confident	45 Å²	45	46.7 Å²	46.7	24%	0.241	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-106.5	4.8	-175.7	-66.7	6.6	0	0	0	112.2	I43 R44 Q45 T49 D50	I43-N47 HydrophobicContact CG2-CB 4.17Å; R44-N47 WeakPolarHBondContact O-CA 3.03Å; R44-N47 PolarHBondContact O-N 2.87Å; Q45-N47 PolarHBondContact O-N 3.33Å; N47-T49 PolarHBondContact O-N 3.29Å; N47-D50 WeakPolarHBondContact CA-OD2 3.36Å; N47-D50 WeakPolarHBondContact CB-OD2 3.37Å; N47-D50 VanDerWaalsContact O-CB 3.3Å; N47-D50 WeakPolarHBondContact O-CB 3.24Å; N47-D50 PolarHBondContact O-N 3.46Å; N47-D50 VanDerWaalsContact O-N 3.13Å
48	T	87.6	Confident	88.8	Confident	15 Å²	15	46.9 Å²	46.9	9%	0.092	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.6	-175.8	56.5	0	0	0	0	112.3	I43 R44 Q45 D50 N95 K100 G102	I43-T48 HydrophobicContact CG2-CG2 3.96Å; R44-T48 PolarHBondContact O-N 3.42Å; Q45-T48 PolarHBondContact O-N 2.82Å; Q45-T48 PolarHBondContact O-OG1 2.72Å; T48-D50 PolarHBondContact O-N 2.83Å; T48-N95 PolarHBondContact O-ND2 3.14Å; T48-K100 WeakPolarHBondContact CB-O 3.18Å; T48-K100 PolarHBondContact OG1-O 2.68Å; T48-G102 WeakPolarHBondContact O-CA 3.18Å
49	T	85.7	Confident	89.1	Confident	57 Å²	57	44.7 Å²	44.7	35%	0.35	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.2	178.8	57.8	0	0	0	0	113.8	N47 S98 K100	N47-T49 PolarHBondContact O-N 3.29Å; T49-S98 WeakPolarHBondContact O-CB 3.42Å; T49-S98 PolarHBondContact O-OG 3.49Å; T49-K100 HydrophobicContact CG2-CG 4.28Å
50	D	86	Confident	89.5	Confident	61 Å²	61	44.5 Å²	44.5	33%	0.326	21%	0.214	S	C	.	.	S	Bend	trans	-70.6	150.5	-180	-74.2	-31	0	0	0	112.1	N47 T48 Y52	N47-D50 WeakPolarHBondContact CA-OD2 3.36Å; N47-D50 WeakPolarHBondContact CB-OD2 3.37Å; N47-D50 VanDerWaalsContact O-CB 3.3Å; N47-D50 WeakPolarHBondContact O-CB 3.24Å; N47-D50 PolarHBondContact O-N 3.46Å; N47-D50 VanDerWaalsContact O-N 3.13Å; T48-D50 PolarHBondContact O-N 2.83Å; D50-Y52 PolarHBondContact O-N 3.38Å
51	K	85.5	Confident	89.7	Confident	83 Å²	83	45.8 Å²	45.8	36%	0.361	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-69	118	169.9	-65	-165.8	178.9	-164.9	0	109.1
52	Y	90.2	Very high	89.8	Confident	9 Å²	9	45.6 Å²	45.6	4%	0.035	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-93.7	126.9	173.5	171.7	-95.9	0	0	0	110.8	V37 D38 D50 G54 L55 R56 C93 R94 P103 F119	V37-Y52 HydrophobicContact CG1-CD2 4.31Å; V37-Y52 HydrophobicContact CG1-CE2 4.14Å; D38-Y52 WeakPolarHBondContact OD1-CE2 3.15Å; D38-Y52 PolarHBondContact OD1-OH 3.14Å; D38-Y52 PolarHBondContact OD2-OH 3.21Å; D50-Y52 PolarHBondContact O-N 3.38Å; Y52-G54 WeakPolarHBondContact OH-CA 3.33Å; Y52-L55 PolarHBondContact OH-N 2.92Å; Y52-R56 HydrophobicContact CE1-CB 4.36Å; Y52-R56 WeakPolarHBondContact OH-CB 3.41Å; Y52-R56 PolarHBondContact OH-N 3.19Å; Y52-C93 HydrophobicContact CD1-CB 4.38Å; Y52-C93 WeakPolarHBondContact CD1-O 3.42Å; Y52-C93 HydrophobicContact CE1-CB 4.04Å; Y52-C93 VanDerWaalsContact CE1-O 3.32Å; Y52-C93 WeakPolarHBondContact CE1-O 3.44Å; Y52-R94 WeakPolarHBondContact O-CD 3.43Å; Y52-P103 HydrophobicContact CD1-CB 3.81Å; Y52-P103 HydrophobicContact CD1-CG 4.12Å; Y52-P103 HydrophobicContact CD2-CG 4.16Å; Y52-P103 HydrophobicContact CG-CB 3.85Å; Y52-P103 HydrophobicContact CG-CG 3.61Å; Y52-F119 HydrophobicContact CD2-CE2 4.27Å; Y52-F119 HydrophobicContact CD2-CZ 4.47Å; Y52-F119 HydrophobicContact CE1-CE2 4.29Å; Y52-F119 AromaticContact CE2-CE2 3.87Å; Y52-F119 HydrophobicContact CE2-CE2 3.87Å; Y52-F119 AromaticContact CE2-CZ 3.7Å; Y52-F119 HydrophobicContact CE2-CZ 3.7Å; Y52-F119 AromaticContact CZ-CE2 3.88Å; Y52-F119 AromaticContact CZ-CZ 3.76Å
53	L	88.4	Confident	89.9	Confident	59 Å²	59	45.3 Å²	45.3	31%	0.309	22%	0.216	S	C	.	.			trans	-117.4	7.6	-175.1	-58.8	179.1	0	0	0	112.4	K30 S34	K30-L53 HydrophobicContact CB-CD1 3.91Å; S34-L53 PolarHBondContact OG-N 3.1Å
54	G	89.8	Confident	89.9	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.021	23%	0.231	C	C	.	.	S	Bend	trans	-73.2	-177.1	-179.2	0	0	0	0	0	112.8	S34 Y52 R94	S34-G54 VanDerWaalsContact CB-N 3.33Å; Y52-G54 WeakPolarHBondContact OH-CA 3.33Å; G54-R94 PolarHBondContact O-NH1 3.25Å; G54-R94 PolarHBondContact O-NH2 3.4Å
55	L	89.9	Confident	90.1	Very high	79 Å²	79	43.6 Å²	43.6	41%	0.414	21%	0.21	S	C	.	.			trans	-110.5	13.8	-172.3	-56.7	-179.5	0	0	0	113.1	D38 Y52 N57 Y92	D38-L55 PolarHBondContact OD2-N 3.37Å; Y52-L55 PolarHBondContact OH-N 2.92Å; L55-N57 PolarHBondContact O-N 2.86Å; L55-Y92 HydrophobicContact CB-CD1 4.19Å; L55-Y92 HydrophobicContact CB-CE1 3.96Å; L55-Y92 HydrophobicContact CD2-CD1 4.47Å; L55-Y92 HydrophobicContact CD2-CD2 4.17Å; L55-Y92 HydrophobicContact CD2-CE1 4.21Å; L55-Y92 HydrophobicContact CD2-CE2 3.87Å; L55-Y92 HydrophobicContact CD2-CG 4.47Å; L55-Y92 WeakPolarHBondContact O-CD1 3.47Å; L55-Y92 VanDerWaalsContact O-CE1 3.31Å; L55-Y92 WeakPolarHBondContact O-CE1 3.4Å
56	R	92.3	Very high	90.4	Very high	17 Å²	17	38.9 Å²	38.9	6%	0.064	19%	0.188	C	C	.	.			trans	-59.8	131.4	173.9	-173.2	174.1	-175.3	105.6	-7.4	110.3	Y52 F58 Y92 C93 C118 F119	Y52-R56 HydrophobicContact CE1-CB 4.36Å; Y52-R56 WeakPolarHBondContact OH-CB 3.41Å; Y52-R56 PolarHBondContact OH-N 3.19Å; R56-F58 HydrophobicContact CG-CD1 4.03Å; R56-F58 HydrophobicContact CG-CE1 3.78Å; R56-F58 HydrophobicContact CG-CE2 4.36Å; R56-F58 HydrophobicContact CG-CG 4.39Å; R56-F58 HydrophobicContact CG-CZ 3.98Å; R56-F58 PolarHBondContact NE-O 2.88Å; R56-F58 VanDerWaalsContact NH1-CZ 3.32Å; R56-Y92 CarbonylContact O-C 3.56Å; R56-Y92 VanDerWaalsContact O-CA 3.29Å; R56-Y92 WeakPolarHBondContact O-CA 3.33Å; R56-C93 PolarHBondContact O-N 2.87Å; R56-C93 PolarHBondContact O-SG 3.48Å; R56-C93 VanDerWaalsContact O-SG 3.33Å; R56-C118 PolarHBondContact NE-O 2.03Å; R56-C118 PolarHBondContact NH2-O 2.95Å; R56-F119 HydrophobicContact CB-CE2 4.5Å; R56-F119 HydrophobicContact CB-CZ 4.02Å; R56-F119 HydrophobicContact CG-CZ 4.19Å
57	N	94	Very high	90.9	Very high	18 Å²	18	36.5 Å²	36.5	10%	0.096	18%	0.177	C	C	.	.			trans	-131.7	28.6	-177.4	64.3	-14.2	0	0	0	113	L55 C65 N91 Y92	L55-N57 PolarHBondContact O-N 2.86Å; N57-C65 WeakPolarHBondContact O-CB 3.28Å; N57-C65 PolarHBondContact O-N 3.01Å; N57-C65 PolarHBondContact O-SG 3.29Å; N57-C65 VanDerWaalsContact O-SG 3.4Å; N57-N91 WeakPolarHBondContact CA-O 3.36Å; N57-N91 WeakPolarHBondContact CB-O 3.44Å; N57-N91 VanDerWaalsContact CB-OD1 3.28Å; N57-N91 WeakPolarHBondContact CB-OD1 3.42Å; N57-N91 PolarHBondContact ND2-OD1 3.5Å; N57-Y92 HydrophobicContact CB-CD1 3.99Å; N57-Y92 HydrophobicContact CB-CE1 4.44Å
58	F	92.7	Very high	91.2	Very high	17 Å²	17	34.4 Å²	34.4	8%	0.075	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-146.4	151.9	177.9	55.3	-82.1	0	0	0	110.3	R56 Y63 C65 P159 A191 T192	R56-F58 HydrophobicContact CG-CD1 4.03Å; R56-F58 HydrophobicContact CG-CE1 3.78Å; R56-F58 HydrophobicContact CG-CE2 4.36Å; R56-F58 HydrophobicContact CG-CG 4.39Å; R56-F58 HydrophobicContact CG-CZ 3.98Å; R56-F58 PolarHBondContact NE-O 2.88Å; R56-F58 VanDerWaalsContact NH1-CZ 3.32Å; F58-Y63 CarbonylContact C-O 3.6Å; F58-Y63 WeakPolarHBondContact CA-O 3.34Å; F58-Y63 WeakPolarHBondContact CB-O 3.31Å; F58-C65 PolarHBondContact N-SG 3Å; F58-C65 VanDerWaalsContact N-SG 3.42Å; F58-P159 HydrophobicContact CD2-CB 4.26Å; F58-P159 HydrophobicContact CD2-CG 3.87Å; F58-P159 HydrophobicContact CE2-CB 4.43Å; F58-P159 VanDerWaalsContact CE2-CD 3.44Å; F58-P159 HydrophobicContact CE2-CG 3.65Å; F58-A191 HydrophobicContact CB-CB 3.94Å; F58-A191 HydrophobicContact CD2-CB 4.33Å; F58-A191 HydrophobicContact CG-CB 4.15Å; F58-T192 HydrophobicContact CD1-CG2 3.52Å; F58-T192 HydrophobicContact CE1-CG2 3.08Å; F58-T192 HydrophobicContact CG-CG2 4.46Å; F58-T192 HydrophobicContact CZ-CG2 3.67Å
59	T	94.3	Very high	91.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.			trans	-78	168.7	-179.8	73.2	0	0	0	0	111.3	E61 G62 Y63 I107 Q116	T59-E61 PolarHBondContact O-N 2.02Å; T59-E61 PolarHBondContact OG1-N 3.42Å; T59-G62 PolarHBondContact O-N 2.01Å; T59-G62 PolarHBondContact OG1-N 3.4Å; T59-Y63 PolarHBondContact N-O 3.08Å; T59-Y63 WeakPolarHBondContact OG1-CB 3.02Å; T59-Y63 PolarHBondContact OG1-N 3.02Å; T59-Y63 VanDerWaalsContact OG1-N 3.1Å; T59-I107 HydrophobicContact CG2-CG2 3.55Å; T59-Q116 HydrophobicContact CG2-CB 3.94Å; T59-Q116 HydrophobicContact CG2-CG 3.99Å; T59-Q116 VanDerWaalsContact CG2-OE1 3.27Å; T59-Q116 PolarHBondContact OG1-OE1 3.45Å
60	Y	91.1	Very high	91.9	Very high	28 Å²	28	40 Å²	40	11%	0.11	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-33.6	171.3	170.3	-86.1	0	0	0	111.9	G62 S117 C118 R120 L128	Y60-G62 VanDerWaalsContact C-N 3.3Å; Y60-G62 PolarHBondContact O-N 3.33Å; Y60-S117 PolarHBondContact N-O 3.37Å; Y60-S117 VanDerWaalsContact N-O 3.16Å; Y60-C118 PolarHBondContact N-O 3.43Å; Y60-R120 HydrophobicContact CD1-CG 3.96Å; Y60-R120 HydrophobicContact CD2-CB 4.03Å; Y60-R120 HydrophobicContact CD2-CG 3.61Å; Y60-R120 HydrophobicContact CE1-CG 4.16Å; Y60-R120 VanDerWaalsContact CE1-NH1 3.34Å; Y60-R120 HydrophobicContact CE2-CB 4.13Å; Y60-R120 HydrophobicContact CE2-CG 3.74Å; Y60-R120 HydrophobicContact CG-CG 3.73Å; Y60-R120 VanDerWaalsContact CZ-CD 3.41Å; Y60-R120 PolarHBondContact OH-NH1 3.35Å; Y60-L128 VanDerWaalsContact OH-CD1 3.23Å; Y60-L128 WeakPolarHBondContact OH-CD1 3.41Å
61	E	89.9	Confident	92.2	Very high	61 Å²	61	41 Å²	41	29%	0.285	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	12.3	-176.3	-60.4	-169.2	163.4	0	0	114.2	T59 Y63 Q116 R162 N174	T59-E61 PolarHBondContact O-N 2.02Å; T59-E61 PolarHBondContact OG1-N 3.42Å; E61-Y63 HydrophobicContact CB-CD2 4.24Å; E61-Y63 HydrophobicContact CB-CE2 4.47Å; E61-Q116 VanDerWaalsContact CD-NE2 3.33Å; E61-Q116 PolarHBondContact OE2-NE2 2.92Å; E61-R162 PolarHBondContact O-NE 2.88Å; E61-R162 IonicContact OE2-NH2 3.7Å; E61-N174 PolarHBondContact O-ND2 3.12Å
62	G	90.2	Very high	92.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	83.2	14.8	173.1	0	0	0	0	0	115.7	T59 Y60 C160	T59-G62 PolarHBondContact O-N 2.01Å; T59-G62 PolarHBondContact OG1-N 3.4Å; Y60-G62 VanDerWaalsContact C-N 3.3Å; Y60-G62 PolarHBondContact O-N 3.33Å; G62-C160 WeakPolarHBondContact CA-O 3.43Å
63	Y	92.6	Very high	92.7	Very high	6 Å²	6	41.6 Å²	41.6	2%	0.024	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-81	140.9	168.8	-71.4	-91.8	0	0	0	110.4	F58 T59 E61 I107 R109 R162	F58-Y63 CarbonylContact C-O 3.6Å; F58-Y63 WeakPolarHBondContact CA-O 3.34Å; F58-Y63 WeakPolarHBondContact CB-O 3.31Å; T59-Y63 PolarHBondContact N-O 3.08Å; T59-Y63 WeakPolarHBondContact OG1-CB 3.02Å; T59-Y63 PolarHBondContact OG1-N 3.02Å; T59-Y63 VanDerWaalsContact OG1-N 3.1Å; E61-Y63 HydrophobicContact CB-CD2 4.24Å; E61-Y63 HydrophobicContact CB-CE2 4.47Å; Y63-I107 HydrophobicContact CD1-CB 4.42Å; Y63-I107 HydrophobicContact CD1-CD1 3.82Å; Y63-I107 HydrophobicContact CD2-CD1 3.69Å; Y63-I107 HydrophobicContact CE1-CD1 4.16Å; Y63-I107 HydrophobicContact CE2-CD1 4Å; Y63-I107 HydrophobicContact CG-CB 4.4Å; Y63-I107 HydrophobicContact CG-CD1 3.57Å; Y63-I107 HydrophobicContact CG-CG2 4.37Å; Y63-R109 HydrophobicContact CE1-CB 4.4Å; Y63-R109 HydrophobicContact CE1-CG 4.46Å; Y63-R109 WeakPolarHBondContact OH-CD 3.1Å; Y63-R162 VanDerWaalsContact CE2-CZ 3.44Å; Y63-R162 PolarHBondContact OH-NE 2.78Å
64	R	92	Very high	92.9	Very high	92 Å²	92	39.4 Å²	39.4	35%	0.347	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-79.1	131.7	169.2	-166.9	176.5	-174.6	104.3	-10.1	108.9	A191	R64-A191 PolarHBondContact NH1-O 2.77Å
65	C	95.3	Very high	93.1	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.034	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-65.6	140	177.5	-64.5	0	0	0	0	110.9	N57 F58 N91 C93 C105	N57-C65 WeakPolarHBondContact O-CB 3.28Å; N57-C65 PolarHBondContact O-N 3.01Å; N57-C65 PolarHBondContact O-SG 3.29Å; N57-C65 VanDerWaalsContact O-SG 3.4Å; F58-C65 PolarHBondContact N-SG 3Å; F58-C65 VanDerWaalsContact N-SG 3.42Å; C65-N91 HydrophobicContact CB-CB 4.09Å; C65-N91 WeakPolarHBondContact CB-O 3.42Å; C65-N91 WeakPolarHBondContact O-CB 3.29Å; C65-N91 PolarHBondContact O-ND2 2.85Å; C65-C93 VanDerWaalsContact SG-SG 3.63Å; C65-C105 VanDerWaalsContact CA-SG 3.54Å; C65-C105 HydrophobicContact CB-CB 3.53Å; C65-C105 WeakPolarHBondContact CB-SG 3.26Å; C65-C105 WeakPolarHBondContact SG-CB 2.98Å; C65-C105 CovalentContact SG-SG 2.02Å; C65-C105 PolarHBondContact SG-SG 3.44Å
66	L	95.8	Very high	93.2	Very high	33 Å²	33	43.5 Å²	43.5	17%	0.173	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.9	148.9	168.5	-65.1	176.3	0	0	0	110.4	N91 Y106 E108 V113	L66-N91 WeakPolarHBondContact O-CB 3.36Å; L66-Y106 WeakPolarHBondContact CB-O 3.42Å; L66-Y106 PolarHBondContact N-O 3Å; L66-E108 HydrophobicContact CD1-CB 4.47Å; L66-E108 HydrophobicContact CD2-CB 4.47Å; L66-V113 HydrophobicContact CD1-CG1 3.94Å; L66-V113 HydrophobicContact CD1-CG2 4.16Å
67	H	96.1	Very high	93.1	Very high	80 Å²	80	45.2 Å²	45.2	37%	0.37	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-70	141.1	173.6	-75.6	-100.6	0	0	0	110.9	I69 N72 I74 G89 T90	H67-I69 HydrophobicContact CB-CD1 4.21Å; H67-I69 HydrophobicContact CB-CG1 4.06Å; H67-I69 HydrophobicContact CB-CG2 4.35Å; H67-I69 PolarHBondContact O-N 2.96Å; H67-N72 PolarHBondContact O-ND2 2.69Å; H67-I74 VanDerWaalsContact O-CD1 3.32Å; H67-I74 WeakPolarHBondContact O-CD1 3.34Å; H67-G89 PolarHBondContact ND1-O 2.95Å; H67-T90 CarbonylContact C-O 3.48Å; H67-T90 VanDerWaalsContact CA-O 3.24Å; H67-T90 WeakPolarHBondContact CA-O 3.12Å
68	W	95	Very high	93	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	28%	0.284	C	S	.	.	S	Bend	trans	-73	71.7	173.9	-61.5	104	0	0	0	110.5	I74 R78 L79 A82 F88 G89 T90 Y92 R94 W104 Y106	W68-I74 HydrophobicContact CE3-CD1 4.21Å; W68-I74 HydrophobicContact CE3-CG2 4.34Å; W68-I74 HydrophobicContact CZ3-CG2 4.42Å; W68-R78 HydrophobicContact CZ3-CB 4.47Å; W68-L79 HydrophobicContact CB-CD2 4.49Å; W68-A82 HydrophobicContact CB-CB 3.87Å; W68-A82 HydrophobicContact CD2-CB 4.22Å; W68-A82 HydrophobicContact CE3-CB 4.16Å; W68-A82 HydrophobicContact CG-CB 4.12Å; W68-F88 WeakPolarHBondContact O-CA 3.38Å; W68-F88 WeakPolarHBondContact O-CD2 3.21Å; W68-F88 VanDerWaalsContact O-CE2 3.32Å; W68-F88 WeakPolarHBondContact O-CE2 3.02Å; W68-F88 WeakPolarHBondContact O-CG 3.38Å; W68-G89 PolarHBondContact O-N 3.32Å; W68-T90 PolarHBondContact N-O 3.37Å; W68-Y92 PolarHBondContact NE1-O 3.17Å; W68-R94 HydrophobicContact CZ2-CB 4.34Å; W68-W104 HydrophobicContact CH2-CE3 4.31Å; W68-W104 AromaticContact CH2-CH2 3.5Å; W68-W104 HydrophobicContact CH2-CH2 3.5Å; W68-W104 HydrophobicContact CH2-CZ2 4.38Å; W68-W104 AromaticContact CH2-CZ3 3.46Å; W68-W104 HydrophobicContact CH2-CZ3 3.46Å; W68-W104 VanDerWaalsContact CH2-CZ3 3.46Å; W68-W104 HydrophobicContact CZ2-CZ3 4.41Å; W68-W104 HydrophobicContact CZ3-CH2 4.04Å; W68-W104 HydrophobicContact CZ3-CZ3 4.15Å; W68-Y106 HydrophobicContact CE3-CD2 4.34Å; W68-Y106 AromaticContact CH2-CD2 3.99Å; W68-Y106 HydrophobicContact CH2-CD2 3.99Å; W68-Y106 HydrophobicContact CH2-CE2 4.15Å; W68-Y106 AromaticContact CZ3-CD2 3.67Å; W68-Y106 HydrophobicContact CZ3-CD2 3.67Å; W68-Y106 AromaticContact CZ3-CE2 3.71Å; W68-Y106 HydrophobicContact CZ3-CE2 3.71Å
69	I	95.1	Very high	93	Very high	60 Å²	60	46.2 Å²	46.2	31%	0.308	28%	0.281	S	S	.	.	S	Bend	trans	-135.6	161.3	-178.9	58.5	173.7	0	0	0	111.1	H67 N72 F88	H67-I69 HydrophobicContact CB-CD1 4.21Å; H67-I69 HydrophobicContact CB-CG1 4.06Å; H67-I69 HydrophobicContact CB-CG2 4.35Å; H67-I69 PolarHBondContact O-N 2.96Å; I69-N72 HydrophobicContact CG1-CB 4.45Å; I69-N72 VanDerWaalsContact CG1-ND2 3.3Å; I69-N72 WeakPolarHBondContact CG1-ND2 3.26Å; I69-F88 HydrophobicContact CG2-CE1 4.46Å; I69-F88 HydrophobicContact CG2-CZ 4.42Å
70	E	94	Very high	92.9	Very high	129 Å²	129	52.2 Å²	52.2	60%	0.603	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	148.3	170.2	-65.7	177.4	179.3	0	0	110.1	L79 R83	E70-L79 HydrophobicContact CG-CD1 3.84Å; E70-R83 IonicContact OE1-CZ 3.72Å; E70-R83 IonicContact OE1-NH1 3.78Å; E70-R83 IonicContact OE1-NH2 2.66Å; E70-R83 PolarHBondContact OE1-NH2 3.26Å
71	G	92	Very high	92.7	Very high	81 Å²	81	53.4 Å²	53.4	84%	0.835	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	-24.8	-177.7	0	0	0	0	0	114.8	G73	G71-G73 PolarHBondContact O-N 3.39Å; G71-G73 VanDerWaalsContact O-N 3.07Å
72	N	92.5	Very high	92.7	Very high	48 Å²	48	50.5 Å²	50.5	26%	0.257	30%	0.301	S	S	.	.	S	Bend	trans	-78.7	19	178.3	-76.3	-1.6	0	0	0	114.2	H67 I69 I74 V113	H67-N72 PolarHBondContact O-ND2 2.69Å; I69-N72 HydrophobicContact CG1-CB 4.45Å; I69-N72 VanDerWaalsContact CG1-ND2 3.3Å; I69-N72 WeakPolarHBondContact CG1-ND2 3.26Å; N72-I74 HydrophobicContact CB-CD1 4.24Å; N72-I74 HydrophobicContact CB-CG1 4.19Å; N72-I74 PolarHBondContact O-N 3.46Å; N72-V113 WeakPolarHBondContact O-CG2 3.32Å
73	G	93.2	Very high	92.6	Very high	58 Å²	58	55.8 Å²	55.8	60%	0.598	32%	0.321	S	S	*	.	S	Bend	trans	66.3	6.5	-176.8	0	0	0	0	0	115.7	G71	G71-G73 PolarHBondContact O-N 3.39Å; G71-G73 VanDerWaalsContact O-N 3.07Å
74	I	94	Very high	92.4	Very high	12 Å²	12	60.7 Å²	60.7	6%	0.062	34%	0.344	C	S	.	.			trans	-73.5	131.5	-178.9	-60.9	176.8	0	0	0	110.1	H67 W68 N72 S76 R78 L79 Y106	H67-I74 VanDerWaalsContact O-CD1 3.32Å; H67-I74 WeakPolarHBondContact O-CD1 3.34Å; W68-I74 HydrophobicContact CE3-CD1 4.21Å; W68-I74 HydrophobicContact CE3-CG2 4.34Å; W68-I74 HydrophobicContact CZ3-CG2 4.42Å; N72-I74 HydrophobicContact CB-CD1 4.24Å; N72-I74 HydrophobicContact CB-CG1 4.19Å; N72-I74 PolarHBondContact O-N 3.46Å; I74-S76 PolarHBondContact O-N 2.97Å; I74-R78 HydrophobicContact CG2-CB 4.04Å; I74-L79 HydrophobicContact CB-CD1 4.4Å; I74-L79 HydrophobicContact CB-CD2 3.97Å; I74-L79 HydrophobicContact CB-CG 4.07Å; I74-L79 HydrophobicContact CD1-CD2 4.28Å; I74-L79 HydrophobicContact CG2-CD2 3.75Å; I74-L79 HydrophobicContact CG2-CG 3.76Å; I74-Y106 HydrophobicContact CB-CD2 4.31Å; I74-Y106 HydrophobicContact CB-CE2 4.43Å; I74-Y106 HydrophobicContact CD1-CD2 3.87Å; I74-Y106 HydrophobicContact CD1-CG 4.27Å; I74-Y106 HydrophobicContact CG1-CD2 3.72Å; I74-Y106 HydrophobicContact CG1-CE2 4.32Å; I74-Y106 HydrophobicContact CG1-CG 3.91Å; I74-Y106 HydrophobicContact CG2-CD2 3.76Å; I74-Y106 HydrophobicContact CG2-CE2 3.55Å
75	P	93.6	Very high	92	Very high	68 Å²	68	59.6 Å²	59.6	44%	0.442	34%	0.343	S	S	.	.			trans	-57	135.7	178.6	-25.7	33.9	0	0	0	113.2	G77 R78 L79	P75-G77 PolarHBondContact O-N 2.53Å; P75-G77 VanDerWaalsContact O-N 3.1Å; P75-R78 HydrophobicContact CB-CG 4.18Å; P75-R78 HydrophobicContact CG-CG 4.46Å; P75-R78 WeakPolarHBondContact O-CA 3.33Å; P75-R78 WeakPolarHBondContact O-CB 3.46Å; P75-R78 PolarHBondContact O-N 3.38Å; P75-L79 PolarHBondContact O-N 2.8Å; P75-L79 VanDerWaalsContact O-N 3.16Å
76	S	92.5	Very high	91.5	Very high	100 Å²	100	61.3 Å²	61.3	70%	0.699	36%	0.361	S	S	*	.	H	α-helix	trans	-55.5	-35.5	-174.9	-49.4	0	0	0	0	113.9	I74 R78 L79 K80	I74-S76 PolarHBondContact O-N 2.97Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 3.24Å; S76-L79 PolarHBondContact O-N 3.22Å; S76-K80 PolarHBondContact O-N 2.91Å
77	G	90.2	Very high	91.2	Very high	52 Å²	52	59.8 Å²	59.8	54%	0.536	35%	0.353	S	S	.	.	H	α-helix	trans	-63.5	-33.5	175.9	0	0	0	0	0	113.4	P75 M81	P75-G77 PolarHBondContact O-N 2.53Å; P75-G77 VanDerWaalsContact O-N 3.1Å; G77-M81 PolarHBondContact O-N 3.29Å
78	R	91.3	Very high	90.9	Very high	52 Å²	52	59.6 Å²	59.6	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-76	-38.3	176.4	-58.4	-72.5	-171.1	154.7	0.6	111	W68 I74 P75 S76 K80 M81 A82 E99 Y106	W68-R78 HydrophobicContact CZ3-CB 4.47Å; I74-R78 HydrophobicContact CG2-CB 4.04Å; P75-R78 HydrophobicContact CB-CG 4.18Å; P75-R78 HydrophobicContact CG-CG 4.46Å; P75-R78 WeakPolarHBondContact O-CA 3.33Å; P75-R78 WeakPolarHBondContact O-CB 3.46Å; P75-R78 PolarHBondContact O-N 3.38Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 3.24Å; R78-K80 VanDerWaalsContact C-N 3.35Å; R78-M81 PolarHBondContact O-N 3.11Å; R78-A82 PolarHBondContact O-N 2.93Å; R78-E99 IonicContact CZ-OE1 2.8Å; R78-E99 IonicContact NH1-OE1 2.81Å; R78-E99 PolarHBondContact NH1-OE1 2.73Å; R78-E99 IonicContact NH2-OE1 3.95Å; R78-E99 PolarHBondContact NH2-OE1 3.29Å; R78-E99 VanDerWaalsContact NH2-OE1 3.08Å; R78-Y106 HydrophobicContact CB-CE2 4.32Å; R78-Y106 HydrophobicContact CG-CE2 4.42Å
79	L	92.6	Very high	90.8	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-64	-37.5	173.4	-68.7	177.1	0	0	0	112.6	W68 E70 I74 P75 S76 M81 A82 R83 F88	W68-L79 HydrophobicContact CB-CD2 4.49Å; E70-L79 HydrophobicContact CG-CD1 3.84Å; I74-L79 HydrophobicContact CB-CD1 4.4Å; I74-L79 HydrophobicContact CB-CD2 3.97Å; I74-L79 HydrophobicContact CB-CG 4.07Å; I74-L79 HydrophobicContact CD1-CD2 4.28Å; I74-L79 HydrophobicContact CG2-CD2 3.75Å; I74-L79 HydrophobicContact CG2-CG 3.76Å; P75-L79 PolarHBondContact O-N 2.8Å; P75-L79 VanDerWaalsContact O-N 3.16Å; S76-L79 PolarHBondContact O-N 3.22Å; L79-M81 PolarHBondContact O-N 2.95Å; L79-A82 WeakPolarHBondContact O-CB 3.36Å; L79-A82 PolarHBondContact O-N 2.97Å; L79-R83 PolarHBondContact O-N 3.09Å; L79-R83 VanDerWaalsContact O-N 3.09Å; L79-F88 HydrophobicContact CB-CE2 4.45Å; L79-F88 HydrophobicContact CD2-CD2 4.38Å; L79-F88 HydrophobicContact CD2-CE2 4.13Å
80	K	92.2	Very high	90.8	Very high	126 Å²	126	59.5 Å²	59.5	55%	0.548	36%	0.361	S	S	.	.	H	α-helix	trans	-57.6	-49	173.5	-175	-178.2	175.6	-171.5	0	111.3	S76 R78 A82 R83 E84	S76-K80 PolarHBondContact O-N 2.91Å; R78-K80 VanDerWaalsContact C-N 3.35Å; K80-A82 VanDerWaalsContact C-N 3.32Å; K80-A82 PolarHBondContact O-N 3.13Å; K80-R83 WeakPolarHBondContact O-CB 3.02Å; K80-R83 PolarHBondContact O-N 3.44Å; K80-R83 VanDerWaalsContact O-N 3.14Å; K80-E84 WeakPolarHBondContact CE-OE1 2.95Å; K80-E84 PolarHBondContact O-N 2.96Å; K80-E84 VanDerWaalsContact O-N 3.07Å
81	M	86.5	Confident	90.9	Very high	53 Å²	53	53.7 Å²	53.7	26%	0.261	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-39.2	175.7	-78.6	-70.3	-162.7	0	0	112.7	G77 R78 L79 R83 E84 H85 F96 F97	G77-M81 PolarHBondContact O-N 3.29Å; R78-M81 PolarHBondContact O-N 3.11Å; L79-M81 PolarHBondContact O-N 2.95Å; M81-R83 PolarHBondContact O-N 3.04Å; M81-E84 PolarHBondContact O-N 3.23Å; M81-H85 WeakPolarHBondContact O-CB 2.94Å; M81-H85 PolarHBondContact O-N 3.27Å; M81-F96 HydrophobicContact CB-CD2 4.18Å; M81-F96 HydrophobicContact CB-CG 4.47Å; M81-F97 HydrophobicContact CB-CZ 4.33Å; M81-F97 HydrophobicContact CE-CE1 3.91Å; M81-F97 HydrophobicContact CE-CZ 4.21Å; M81-F97 HydrophobicContact CG-CE1 4.25Å; M81-F97 HydrophobicContact CG-CE2 4.21Å; M81-F97 HydrophobicContact CG-CZ 3.6Å
82	A	89.2	Confident	91	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-36.9	175.9	0	0	0	0	0	112	W68 R78 L79 K80 G86 V87 F88	W68-A82 HydrophobicContact CB-CB 3.87Å; W68-A82 HydrophobicContact CD2-CB 4.22Å; W68-A82 HydrophobicContact CE3-CB 4.16Å; W68-A82 HydrophobicContact CG-CB 4.12Å; R78-A82 PolarHBondContact O-N 2.93Å; L79-A82 WeakPolarHBondContact O-CB 3.36Å; L79-A82 PolarHBondContact O-N 2.97Å; K80-A82 VanDerWaalsContact C-N 3.32Å; K80-A82 PolarHBondContact O-N 3.13Å; A82-G86 PolarHBondContact O-N 3.42Å; A82-V87 HydrophobicContact CB-CG2 3.85Å; A82-V87 PolarHBondContact O-N 2.83Å; A82-F88 HydrophobicContact CB-CB 4.37Å; A82-F88 PolarHBondContact O-N 3.06Å
83	R	89.8	Confident	91.1	Very high	111 Å²	111	48.6 Å²	48.6	42%	0.419	29%	0.286	S	S	.	.	H	α-helix	trans	-68.7	-48.7	174.3	-66.3	174.9	-173.4	130.6	-1.2	111.9	E70 L79 K80 M81 H85 G86 F88	E70-R83 IonicContact OE1-CZ 3.72Å; E70-R83 IonicContact OE1-NH1 3.78Å; E70-R83 IonicContact OE1-NH2 2.66Å; E70-R83 PolarHBondContact OE1-NH2 3.26Å; L79-R83 PolarHBondContact O-N 3.09Å; L79-R83 VanDerWaalsContact O-N 3.09Å; K80-R83 WeakPolarHBondContact O-CB 3.02Å; K80-R83 PolarHBondContact O-N 3.44Å; K80-R83 VanDerWaalsContact O-N 3.14Å; M81-R83 PolarHBondContact O-N 3.04Å; R83-H85 PolarHBondContact O-N 3.5Å; R83-G86 PolarHBondContact O-N 2.67Å; R83-F88 HydrophobicContact CB-CB 4.36Å; R83-F88 HydrophobicContact CG-CB 3.65Å; R83-F88 HydrophobicContact CG-CD1 4.3Å; R83-F88 HydrophobicContact CG-CD2 3.53Å; R83-F88 HydrophobicContact CG-CE2 4.27Å; R83-F88 HydrophobicContact CG-CG 3.56Å
84	E	87.3	Confident	91.1	Very high	108 Å²	108	46 Å²	46	51%	0.505	26%	0.258	S	S	.	.	H	α-helix	trans	-60.4	-30.5	-179.8	-70.3	174.5	-176.7	0	0	112.7	K80 M81	K80-E84 WeakPolarHBondContact CE-OE1 2.95Å; K80-E84 PolarHBondContact O-N 2.96Å; K80-E84 VanDerWaalsContact O-N 3.07Å; M81-E84 PolarHBondContact O-N 3.23Å
85	H	84.1	Confident	91	Very high	70 Å²	70	45.5 Å²	45.5	32%	0.324	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	11.2	178.1	-76.1	-66	0	0	0	114.4	M81 R83 V87 F96	M81-H85 WeakPolarHBondContact O-CB 2.94Å; M81-H85 PolarHBondContact O-N 3.27Å; R83-H85 PolarHBondContact O-N 3.5Å; H85-V87 VanDerWaalsContact C-N 3.32Å; H85-V87 PolarHBondContact O-N 3.5Å; H85-F96 HydrophobicContact CB-CD1 4.23Å; H85-F96 HydrophobicContact CB-CE1 3.44Å; H85-F96 VanDerWaalsContact CB-CE1 3.44Å; H85-F96 HydrophobicContact CB-CZ 3.82Å; H85-F96 AromaticContact CD2-CD1 3.6Å; H85-F96 AromaticContact CD2-CE1 3.74Å; H85-F96 AromaticContact CG-CD1 3.92Å; H85-F96 AromaticContact CG-CE1 3.61Å
86	G	84.2	Confident	90.6	Very high	40 Å²	40	43.4 Å²	43.4	41%	0.412	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	27	171.2	0	0	0	0	0	115.1	A82 R83	A82-G86 PolarHBondContact O-N 3.42Å; R83-G86 PolarHBondContact O-N 2.67Å
87	V	89	Confident	90.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	22%	0.224	C	C	.	.			trans	-118.4	0.1	178.2	-57	0	0	0	0	114.5	A82 H85 G89 T90 R94 F96	A82-V87 HydrophobicContact CB-CG2 3.85Å; A82-V87 PolarHBondContact O-N 2.83Å; H85-V87 VanDerWaalsContact C-N 3.32Å; H85-V87 PolarHBondContact O-N 3.5Å; V87-G89 PolarHBondContact O-N 2.95Å; V87-T90 WeakPolarHBondContact CB-OG1 3.31Å; V87-T90 WeakPolarHBondContact O-CB 3.32Å; V87-T90 PolarHBondContact O-N 2.96Å; V87-T90 PolarHBondContact O-OG1 2.74Å; V87-R94 HydrophobicContact CG2-CG 4.28Å; V87-F96 HydrophobicContact CG2-CE2 4.05Å; V87-F96 HydrophobicContact CG2-CZ 3.52Å
88	F	91.4	Very high	90	Very high	76 Å²	76	43.1 Å²	43.1	33%	0.333	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	137	169.1	-171.4	-93.6	0	0	0	109.9	W68 I69 L79 A82 R83 T90	W68-F88 WeakPolarHBondContact O-CA 3.38Å; W68-F88 WeakPolarHBondContact O-CD2 3.21Å; W68-F88 VanDerWaalsContact O-CE2 3.32Å; W68-F88 WeakPolarHBondContact O-CE2 3.02Å; W68-F88 WeakPolarHBondContact O-CG 3.38Å; I69-F88 HydrophobicContact CG2-CE1 4.46Å; I69-F88 HydrophobicContact CG2-CZ 4.42Å; L79-F88 HydrophobicContact CB-CE2 4.45Å; L79-F88 HydrophobicContact CD2-CD2 4.38Å; L79-F88 HydrophobicContact CD2-CE2 4.13Å; A82-F88 HydrophobicContact CB-CB 4.37Å; A82-F88 PolarHBondContact O-N 3.06Å; R83-F88 HydrophobicContact CB-CB 4.36Å; R83-F88 HydrophobicContact CG-CB 3.65Å; R83-F88 HydrophobicContact CG-CD1 4.3Å; R83-F88 HydrophobicContact CG-CD2 3.53Å; R83-F88 HydrophobicContact CG-CE2 4.27Å; R83-F88 HydrophobicContact CG-CG 3.56Å; F88-T90 PolarHBondContact O-N 3.16Å
89	G	92.3	Very high	89.9	Confident	36 Å²	36	42.4 Å²	42.4	37%	0.371	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-17.6	-173.2	0	0	0	0	0	115.3	H67 W68 V87	H67-G89 PolarHBondContact ND1-O 2.95Å; W68-G89 PolarHBondContact O-N 3.32Å; V87-G89 PolarHBondContact O-N 2.95Å
90	T	94.9	Very high	89.7	Confident	22 Å²	22	50.6 Å²	50.6	14%	0.135	25%	0.253	C	S	.	.			trans	-89.1	177	172.4	79.6	0	0	0	0	110.6	H67 W68 V87 F88 Y92	H67-T90 CarbonylContact C-O 3.48Å; H67-T90 VanDerWaalsContact CA-O 3.24Å; H67-T90 WeakPolarHBondContact CA-O 3.12Å; W68-T90 PolarHBondContact N-O 3.37Å; V87-T90 WeakPolarHBondContact CB-OG1 3.31Å; V87-T90 WeakPolarHBondContact O-CB 3.32Å; V87-T90 PolarHBondContact O-N 2.96Å; V87-T90 PolarHBondContact O-OG1 2.74Å; F88-T90 PolarHBondContact O-N 3.16Å; T90-Y92 VanDerWaalsContact CB-CD2 3.45Å; T90-Y92 HydrophobicContact CG2-CD2 3.87Å; T90-Y92 HydrophobicContact CG2-CE2 3.7Å; T90-Y92 VanDerWaalsContact OG1-CD2 3.29Å; T90-Y92 WeakPolarHBondContact OG1-CD2 3.47Å
91	N	95.1	Very high	89.6	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.037	26%	0.259	C	S	.	.			trans	-125.5	29	172.4	68.5	-24.9	0	0	0	112.5	N57 C65 L66	N57-N91 WeakPolarHBondContact CA-O 3.36Å; N57-N91 WeakPolarHBondContact CB-O 3.44Å; N57-N91 VanDerWaalsContact CB-OD1 3.28Å; N57-N91 WeakPolarHBondContact CB-OD1 3.42Å; N57-N91 PolarHBondContact ND2-OD1 3.5Å; C65-N91 HydrophobicContact CB-CB 4.09Å; C65-N91 WeakPolarHBondContact CB-O 3.42Å; C65-N91 WeakPolarHBondContact O-CB 3.29Å; C65-N91 PolarHBondContact O-ND2 2.85Å; L66-N91 WeakPolarHBondContact O-CB 3.36Å
92	Y	94.7	Very high	89.9	Confident	23 Å²	23	49 Å²	49	9%	0.09	25%	0.248	C	C	.	.			trans	-76.7	142.5	-176.8	-55.7	-53.3	0	0	0	112	L55 R56 N57 W68 T90 R94	L55-Y92 HydrophobicContact CB-CD1 4.19Å; L55-Y92 HydrophobicContact CB-CE1 3.96Å; L55-Y92 HydrophobicContact CD2-CD1 4.47Å; L55-Y92 HydrophobicContact CD2-CD2 4.17Å; L55-Y92 HydrophobicContact CD2-CE1 4.21Å; L55-Y92 HydrophobicContact CD2-CE2 3.87Å; L55-Y92 HydrophobicContact CD2-CG 4.47Å; L55-Y92 WeakPolarHBondContact O-CD1 3.47Å; L55-Y92 VanDerWaalsContact O-CE1 3.31Å; L55-Y92 WeakPolarHBondContact O-CE1 3.4Å; R56-Y92 CarbonylContact O-C 3.56Å; R56-Y92 VanDerWaalsContact O-CA 3.29Å; R56-Y92 WeakPolarHBondContact O-CA 3.33Å; N57-Y92 HydrophobicContact CB-CD1 3.99Å; N57-Y92 HydrophobicContact CB-CE1 4.44Å; W68-Y92 PolarHBondContact NE1-O 3.17Å; T90-Y92 VanDerWaalsContact CB-CD2 3.45Å; T90-Y92 HydrophobicContact CG2-CD2 3.87Å; T90-Y92 HydrophobicContact CG2-CE2 3.7Å; T90-Y92 VanDerWaalsContact OG1-CD2 3.29Å; T90-Y92 WeakPolarHBondContact OG1-CD2 3.47Å; Y92-R94 VanDerWaalsContact CB-CZ 3.49Å
93	C	94.9	Very high	90.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.			trans	-60.6	139.6	174	-60.2	0	0	0	0	110.7	Y52 R56 C65 P103 W104 C118	Y52-C93 HydrophobicContact CD1-CB 4.38Å; Y52-C93 WeakPolarHBondContact CD1-O 3.42Å; Y52-C93 HydrophobicContact CE1-CB 4.04Å; Y52-C93 VanDerWaalsContact CE1-O 3.32Å; Y52-C93 WeakPolarHBondContact CE1-O 3.44Å; R56-C93 PolarHBondContact O-N 2.87Å; R56-C93 PolarHBondContact O-SG 3.48Å; R56-C93 VanDerWaalsContact O-SG 3.33Å; C65-C93 VanDerWaalsContact SG-SG 3.63Å; C93-P103 HydrophobicContact CB-CB 4.31Å; C93-W104 CarbonylContact C-O 3.48Å; C93-W104 VanDerWaalsContact CA-O 3.31Å; C93-W104 WeakPolarHBondContact CA-O 3.44Å; C93-C118 HydrophobicContact CB-CB 3.63Å; C93-C118 WeakPolarHBondContact CB-SG 3.07Å; C93-C118 WeakPolarHBondContact SG-CB 3.49Å; C93-C118 CovalentContact SG-SG 2.01Å; C93-C118 PolarHBondContact SG-SG 3.43Å
94	R	94.1	Very high	90.5	Very high	4 Å²	4	44 Å²	44	2%	0.015	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-143.4	158.5	-178.3	-67.5	-66.8	177.8	-98.6	6.4	110.9	Y52 G54 W68 V87 Y92 F96 P103 W104	Y52-R94 WeakPolarHBondContact O-CD 3.43Å; G54-R94 PolarHBondContact O-NH1 3.25Å; G54-R94 PolarHBondContact O-NH2 3.4Å; W68-R94 HydrophobicContact CZ2-CB 4.34Å; V87-R94 HydrophobicContact CG2-CG 4.28Å; Y92-R94 VanDerWaalsContact CB-CZ 3.49Å; R94-F96 HydrophobicContact CB-CD1 4.31Å; R94-F96 HydrophobicContact CB-CD2 3.96Å; R94-F96 HydrophobicContact CB-CE1 3.94Å; R94-F96 HydrophobicContact CB-CE2 3.57Å; R94-F96 HydrophobicContact CB-CG 4.32Å; R94-F96 HydrophobicContact CB-CZ 3.57Å; R94-F96 HydrophobicContact CG-CE1 3.92Å; R94-F96 HydrophobicContact CG-CE2 3.77Å; R94-F96 HydrophobicContact CG-CZ 3.37Å; R94-P103 WeakPolarHBondContact O-CA 3.3Å; R94-W104 PolarHBondContact N-O 3Å; R94-W104 PolarHBondContact O-N 3.36Å
95	N	91.8	Very high	90.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.205	C	C	.	.			trans	-130.9	68.8	170.4	-164.2	2.5	0	0	0	110.4	T48 F97 S98 E99 P103	T48-N95 PolarHBondContact O-ND2 3.14Å; N95-F97 VanDerWaalsContact C-N 3.26Å; N95-F97 PolarHBondContact O-N 2.93Å; N95-S98 PolarHBondContact OD1-N 3.35Å; N95-E99 PolarHBondContact ND2-N 2.73Å; N95-E99 PolarHBondContact ND2-O 2.83Å; N95-E99 PolarHBondContact OD1-N 3.1Å; N95-P103 HydrophobicContact CB-CB 4.46Å; N95-P103 HydrophobicContact CB-CG 4.41Å
96	F	84.5	Confident	91.5	Very high	23 Å²	23	36.2 Å²	36.2	10%	0.101	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.9	-174.8	-63.9	-48.9	0	0	0	113.8	M81 H85 V87 R94	M81-F96 HydrophobicContact CB-CD2 4.18Å; M81-F96 HydrophobicContact CB-CG 4.47Å; H85-F96 HydrophobicContact CB-CD1 4.23Å; H85-F96 HydrophobicContact CB-CE1 3.44Å; H85-F96 VanDerWaalsContact CB-CE1 3.44Å; H85-F96 HydrophobicContact CB-CZ 3.82Å; H85-F96 AromaticContact CD2-CD1 3.6Å; H85-F96 AromaticContact CD2-CE1 3.74Å; H85-F96 AromaticContact CG-CD1 3.92Å; H85-F96 AromaticContact CG-CE1 3.61Å; V87-F96 HydrophobicContact CG2-CE2 4.05Å; V87-F96 HydrophobicContact CG2-CZ 3.52Å; R94-F96 HydrophobicContact CB-CD1 4.31Å; R94-F96 HydrophobicContact CB-CD2 3.96Å; R94-F96 HydrophobicContact CB-CE1 3.94Å; R94-F96 HydrophobicContact CB-CE2 3.57Å; R94-F96 HydrophobicContact CB-CG 4.32Å; R94-F96 HydrophobicContact CB-CZ 3.57Å; R94-F96 HydrophobicContact CG-CE1 3.92Å; R94-F96 HydrophobicContact CG-CE2 3.77Å; R94-F96 HydrophobicContact CG-CZ 3.37Å
97	F	84.2	Confident	92	Very high	85 Å²	85	34.3 Å²	34.3	37%	0.373	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	15.8	-170.4	-58	-92.1	0	0	0	112.4	M81 N95 E99	M81-F97 HydrophobicContact CB-CZ 4.33Å; M81-F97 HydrophobicContact CE-CE1 3.91Å; M81-F97 HydrophobicContact CE-CZ 4.21Å; M81-F97 HydrophobicContact CG-CE1 4.25Å; M81-F97 HydrophobicContact CG-CE2 4.21Å; M81-F97 HydrophobicContact CG-CZ 3.6Å; N95-F97 VanDerWaalsContact C-N 3.26Å; N95-F97 PolarHBondContact O-N 2.93Å; F97-E99 HydrophobicContact CB-CG 4.26Å; F97-E99 PolarHBondContact O-N 2.7Å
98	S	85.5	Confident	92.2	Very high	61 Å²	61	39.9 Å²	39.9	43%	0.427	20%	0.199	S	C	.	.			trans	51.4	42.1	-179.1	-70.8	0	0	0	0	112.4	T49 N95 K100	T49-S98 WeakPolarHBondContact O-CB 3.42Å; T49-S98 PolarHBondContact O-OG 3.49Å; N95-S98 PolarHBondContact OD1-N 3.35Å; S98-K100 PolarHBondContact O-N 2.91Å
99	E	89.3	Confident	92.2	Very high	37 Å²	37	40.8 Å²	40.8	17%	0.173	20%	0.2	C	C	.	.			trans	-61.9	134.6	175.1	-66.6	178.1	-150.5	0	0	109	R78 N95 F97 E101 G102 W104	R78-E99 IonicContact CZ-OE1 2.8Å; R78-E99 IonicContact NH1-OE1 2.81Å; R78-E99 PolarHBondContact NH1-OE1 2.73Å; R78-E99 IonicContact NH2-OE1 3.95Å; R78-E99 PolarHBondContact NH2-OE1 3.29Å; R78-E99 VanDerWaalsContact NH2-OE1 3.08Å; N95-E99 PolarHBondContact ND2-N 2.73Å; N95-E99 PolarHBondContact ND2-O 2.83Å; N95-E99 PolarHBondContact OD1-N 3.1Å; F97-E99 HydrophobicContact CB-CG 4.26Å; F97-E99 PolarHBondContact O-N 2.7Å; E99-E101 PolarHBondContact O-N 3.05Å; E99-G102 PolarHBondContact O-N 2.96Å; E99-W104 PolarHBondContact OE1-NE1 2.86Å; E99-W104 VanDerWaalsContact OE2-CD1 3.23Å; E99-W104 PolarHBondContact OE2-NE1 2.81Å
100	K	89.4	Confident	91.9	Very high	178 Å²	178	45.8 Å²	45.8	77%	0.774	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.6	-171.9	-65.8	-177.8	179.9	178.6	0	113.1	T48 T49 S98 G102	T48-K100 WeakPolarHBondContact CB-O 3.18Å; T48-K100 PolarHBondContact OG1-O 2.68Å; T49-K100 HydrophobicContact CG2-CG 4.28Å; S98-K100 PolarHBondContact O-N 2.91Å; K100-G102 PolarHBondContact O-N 3.29Å
101	E	89.1	Confident	91.6	Very high	144 Å²	144	47.8 Å²	47.8	67%	0.673	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-11	178.9	-62.6	178.7	176.4	0	0	112.7	E99	E99-E101 PolarHBondContact O-N 3.05Å
102	G	93.3	Very high	91.5	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.021	27%	0.271	C	S	.	.			trans	99.8	-167.7	179.6	0	0	0	0	0	113.9	T48 E99 K100 W104	T48-G102 WeakPolarHBondContact O-CA 3.18Å; E99-G102 PolarHBondContact O-N 2.96Å; K100-G102 PolarHBondContact O-N 3.29Å; G102-W104 VanDerWaalsContact O-CD1 3.28Å
103	P	95.2	Very high	91.6	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.019	28%	0.282	C	S	.	.	S	Bend	trans	-65.4	133.4	174	-18.1	33.6	0	0	0	110.9	I43 Y52 C93 R94 N95 C118 F119	I43-P103 HydrophobicContact CD1-CG 3.53Å; Y52-P103 HydrophobicContact CD1-CB 3.81Å; Y52-P103 HydrophobicContact CD1-CG 4.12Å; Y52-P103 HydrophobicContact CD2-CG 4.16Å; Y52-P103 HydrophobicContact CG-CB 3.85Å; Y52-P103 HydrophobicContact CG-CG 3.61Å; C93-P103 HydrophobicContact CB-CB 4.31Å; R94-P103 WeakPolarHBondContact O-CA 3.3Å; N95-P103 HydrophobicContact CB-CB 4.46Å; N95-P103 HydrophobicContact CB-CG 4.41Å; P103-C118 WeakPolarHBondContact O-CB 3.34Å; P103-C118 PolarHBondContact O-N 3.29Å; P103-F119 HydrophobicContact CB-CD2 4.15Å; P103-F119 HydrophobicContact CB-CE2 4.12Å; P103-F119 HydrophobicContact CG-CD2 4.1Å; P103-F119 HydrophobicContact CG-CE2 4.18Å
104	W	95.8	Very high	91.6	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.011	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	170.1	-176	56.2	-96.5	0	0	0	109.6	W68 C93 R94 E99 G102 Y106 Q115 Q116	W68-W104 HydrophobicContact CH2-CE3 4.31Å; W68-W104 AromaticContact CH2-CH2 3.5Å; W68-W104 HydrophobicContact CH2-CH2 3.5Å; W68-W104 HydrophobicContact CH2-CZ2 4.38Å; W68-W104 AromaticContact CH2-CZ3 3.46Å; W68-W104 HydrophobicContact CH2-CZ3 3.46Å; W68-W104 VanDerWaalsContact CH2-CZ3 3.46Å; W68-W104 HydrophobicContact CZ2-CZ3 4.41Å; W68-W104 HydrophobicContact CZ3-CH2 4.04Å; W68-W104 HydrophobicContact CZ3-CZ3 4.15Å; C93-W104 CarbonylContact C-O 3.48Å; C93-W104 VanDerWaalsContact CA-O 3.31Å; C93-W104 WeakPolarHBondContact CA-O 3.44Å; R94-W104 PolarHBondContact N-O 3Å; R94-W104 PolarHBondContact O-N 3.36Å; E99-W104 PolarHBondContact OE1-NE1 2.86Å; E99-W104 VanDerWaalsContact OE2-CD1 3.23Å; E99-W104 PolarHBondContact OE2-NE1 2.81Å; G102-W104 VanDerWaalsContact O-CD1 3.28Å; W104-Y106 HydrophobicContact CH2-CD2 4.4Å; W104-Y106 AromaticContact CH2-CE2 3.72Å; W104-Y106 HydrophobicContact CH2-CE2 3.72Å; W104-Y106 AromaticContact CZ3-CD2 3.66Å; W104-Y106 HydrophobicContact CZ3-CD2 3.66Å; W104-Y106 HydrophobicContact CZ3-CE1 4.5Å; W104-Y106 AromaticContact CZ3-CE2 3.34Å; W104-Y106 HydrophobicContact CZ3-CE2 3.34Å; W104-Y106 HydrophobicContact CZ3-CG 4.35Å; W104-Y106 AromaticContact CZ3-CZ 3.8Å; W104-Q115 HydrophobicContact CD2-CB 4.5Å; W104-Q115 HydrophobicContact CD2-CG 4.46Å; W104-Q115 VanDerWaalsContact CE2-NE2 3.33Å; W104-Q115 HydrophobicContact CE3-CB 3.96Å; W104-Q115 HydrophobicContact CE3-CG 3.72Å; W104-Q115 VanDerWaalsContact CE3-NE2 3.29Å; W104-Q115 HydrophobicContact CH2-CG 4.44Å; W104-Q115 HydrophobicContact CZ3-CB 4.44Å; W104-Q115 HydrophobicContact CZ3-CG 3.71Å; W104-Q116 WeakPolarHBondContact CA-O 3.44Å; W104-Q116 VanDerWaalsContact CB-O 3.26Å; W104-Q116 WeakPolarHBondContact CB-O 3.47Å
105	C	96.2	Very high	91.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	168.8	168.4	66.6	0	0	0	0	110.1	C65 Q115 Q116	C65-C105 VanDerWaalsContact CA-SG 3.54Å; C65-C105 HydrophobicContact CB-CB 3.53Å; C65-C105 WeakPolarHBondContact CB-SG 3.26Å; C65-C105 WeakPolarHBondContact SG-CB 2.98Å; C65-C105 CovalentContact SG-SG 2.02Å; C65-C105 PolarHBondContact SG-SG 3.44Å; C105-Q115 WeakPolarHBondContact O-CA 3.41Å; C105-Q116 PolarHBondContact N-O 3.16Å; C105-Q116 PolarHBondContact O-N 2.78Å
106	Y	96.8	Very high	91.8	Very high	13 Å²	13	61.2 Å²	61.2	5%	0.051	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.7	170	-74.8	-76.2	0	0	0	110.2	L66 W68 I74 R78 W104 V113 V114 Q115	L66-Y106 WeakPolarHBondContact CB-O 3.42Å; L66-Y106 PolarHBondContact N-O 3Å; W68-Y106 HydrophobicContact CE3-CD2 4.34Å; W68-Y106 AromaticContact CH2-CD2 3.99Å; W68-Y106 HydrophobicContact CH2-CD2 3.99Å; W68-Y106 HydrophobicContact CH2-CE2 4.15Å; W68-Y106 AromaticContact CZ3-CD2 3.67Å; W68-Y106 HydrophobicContact CZ3-CD2 3.67Å; W68-Y106 AromaticContact CZ3-CE2 3.71Å; W68-Y106 HydrophobicContact CZ3-CE2 3.71Å; I74-Y106 HydrophobicContact CB-CD2 4.31Å; I74-Y106 HydrophobicContact CB-CE2 4.43Å; I74-Y106 HydrophobicContact CD1-CD2 3.87Å; I74-Y106 HydrophobicContact CD1-CG 4.27Å; I74-Y106 HydrophobicContact CG1-CD2 3.72Å; I74-Y106 HydrophobicContact CG1-CE2 4.32Å; I74-Y106 HydrophobicContact CG1-CG 3.91Å; I74-Y106 HydrophobicContact CG2-CD2 3.76Å; I74-Y106 HydrophobicContact CG2-CE2 3.55Å; R78-Y106 HydrophobicContact CB-CE2 4.32Å; R78-Y106 HydrophobicContact CG-CE2 4.42Å; W104-Y106 HydrophobicContact CH2-CD2 4.4Å; W104-Y106 AromaticContact CH2-CE2 3.72Å; W104-Y106 HydrophobicContact CH2-CE2 3.72Å; W104-Y106 AromaticContact CZ3-CD2 3.66Å; W104-Y106 HydrophobicContact CZ3-CD2 3.66Å; W104-Y106 HydrophobicContact CZ3-CE1 4.5Å; W104-Y106 AromaticContact CZ3-CE2 3.34Å; W104-Y106 HydrophobicContact CZ3-CE2 3.34Å; W104-Y106 HydrophobicContact CZ3-CG 4.35Å; W104-Y106 AromaticContact CZ3-CZ 3.8Å; Y106-V113 HydrophobicContact CD1-CG1 3.7Å; Y106-V113 HydrophobicContact CG-CG1 4.18Å; Y106-V114 CarbonylContact C-O 3.57Å; Y106-V114 WeakPolarHBondContact CA-O 3.34Å; Y106-Q115 HydrophobicContact CD1-CG 3.82Å; Y106-Q115 HydrophobicContact CE1-CB 4.47Å; Y106-Q115 HydrophobicContact CE1-CG 3.26Å; Y106-Q115 HydrophobicContact CE2-CG 4.4Å
107	I	95.1	Very high	92.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	158.2	174	60.3	162.3	0	0	0	109.2	T59 Y63 R109 V113 V114 Q116	T59-I107 HydrophobicContact CG2-CG2 3.55Å; Y63-I107 HydrophobicContact CD1-CB 4.42Å; Y63-I107 HydrophobicContact CD1-CD1 3.82Å; Y63-I107 HydrophobicContact CD2-CD1 3.69Å; Y63-I107 HydrophobicContact CE1-CD1 4.16Å; Y63-I107 HydrophobicContact CE2-CD1 4Å; Y63-I107 HydrophobicContact CG-CB 4.4Å; Y63-I107 HydrophobicContact CG-CD1 3.57Å; Y63-I107 HydrophobicContact CG-CG2 4.37Å; I107-R109 HydrophobicContact CD1-CB 4.4Å; I107-V113 WeakPolarHBondContact O-CA 3.44Å; I107-V114 HydrophobicContact CD1-CG2 4.07Å; I107-V114 HydrophobicContact CG1-CG2 3.66Å; I107-V114 PolarHBondContact N-O 3.37Å; I107-V114 PolarHBondContact O-N 3.19Å; I107-Q116 HydrophobicContact CD1-CB 3.85Å; I107-Q116 HydrophobicContact CD1-CG 4.38Å; I107-Q116 HydrophobicContact CG1-CB 4.08Å
108	E	92.7	Very high	92.9	Very high	120 Å²	120	57.6 Å²	57.6	56%	0.561	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.3	167.4	-173.3	175.5	-169.6	0	0	108.5	L66 E112	L66-E108 HydrophobicContact CD1-CB 4.47Å; L66-E108 HydrophobicContact CD2-CB 4.47Å; E108-E112 CarbonylContact C-O 3.53Å; E108-E112 WeakPolarHBondContact CA-O 3.29Å
109	R	90.3	Very high	93.3	Very high	95 Å²	95	55.1 Å²	55.1	36%	0.358	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	125.7	177.3	-176.4	178.4	67.5	-169.3	0.2	108.5	Y63 I107 G111 E112 V114	Y63-R109 HydrophobicContact CE1-CB 4.4Å; Y63-R109 HydrophobicContact CE1-CG 4.46Å; Y63-R109 WeakPolarHBondContact OH-CD 3.1Å; I107-R109 HydrophobicContact CD1-CB 4.4Å; R109-G111 PolarHBondContact O-N 3.49Å; R109-E112 PolarHBondContact N-O 3.16Å; R109-E112 PolarHBondContact O-N 3.38Å; R109-V114 HydrophobicContact CB-CG2 4.22Å
110	D	87.1	Confident	93.4	Very high	140 Å²	140	57.2 Å²	57.2	75%	0.749	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	33.9	-179.2	-54.6	-44.8	0	0	0	114	E112	D110-E112 PolarHBondContact O-N 2.86Å
111	G	87.9	Confident	93.6	Very high	65 Å²	65	50 Å²	50	67%	0.67	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	4	-177.1	0	0	0	0	0	114.6	R109	R109-G111 PolarHBondContact O-N 3.49Å
112	E	93.6	Very high	93.6	Very high	133 Å²	133	44.7 Å²	44.7	62%	0.621	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109	146.1	177	-61.9	-168.1	149.7	0	0	111.8	E108 R109 D110 V114	E108-E112 CarbonylContact C-O 3.53Å; E108-E112 WeakPolarHBondContact CA-O 3.29Å; R109-E112 PolarHBondContact N-O 3.16Å; R109-E112 PolarHBondContact O-N 3.38Å; D110-E112 PolarHBondContact O-N 2.86Å; E112-V114 HydrophobicContact CB-CG1 4.24Å
113	V	95.9	Very high	93.4	Very high	52 Å²	52	49.9 Å²	49.9	32%	0.315	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	110.5	175.4	176.2	0	0	0	0	109	L66 N72 Y106 I107	L66-V113 HydrophobicContact CD1-CG1 3.94Å; L66-V113 HydrophobicContact CD1-CG2 4.16Å; N72-V113 WeakPolarHBondContact O-CG2 3.32Å; Y106-V113 HydrophobicContact CD1-CG1 3.7Å; Y106-V113 HydrophobicContact CG-CG1 4.18Å; I107-V113 WeakPolarHBondContact O-CA 3.44Å
114	V	95.8	Very high	93.2	Very high	29 Å²	29	54 Å²	54	18%	0.176	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.5	-174.6	-59.3	0	0	0	0	111.8	Y106 I107 R109 E112	Y106-V114 CarbonylContact C-O 3.57Å; Y106-V114 WeakPolarHBondContact CA-O 3.34Å; I107-V114 HydrophobicContact CD1-CG2 4.07Å; I107-V114 HydrophobicContact CG1-CG2 3.66Å; I107-V114 PolarHBondContact N-O 3.37Å; I107-V114 PolarHBondContact O-N 3.19Å; R109-V114 HydrophobicContact CB-CG2 4.22Å; E112-V114 HydrophobicContact CB-CG1 4.24Å
115	Q	95	Very high	92.8	Very high	81 Å²	81	54.2 Å²	54.2	38%	0.379	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.1	171.3	-62.8	178.9	-79.2	0	0	109.7	W104 C105 Y106	W104-Q115 HydrophobicContact CD2-CB 4.5Å; W104-Q115 HydrophobicContact CD2-CG 4.46Å; W104-Q115 VanDerWaalsContact CE2-NE2 3.33Å; W104-Q115 HydrophobicContact CE3-CB 3.96Å; W104-Q115 HydrophobicContact CE3-CG 3.72Å; W104-Q115 VanDerWaalsContact CE3-NE2 3.29Å; W104-Q115 HydrophobicContact CH2-CG 4.44Å; W104-Q115 HydrophobicContact CZ3-CB 4.44Å; W104-Q115 HydrophobicContact CZ3-CG 3.71Å; C105-Q115 WeakPolarHBondContact O-CA 3.41Å; Y106-Q115 HydrophobicContact CD1-CG 3.82Å; Y106-Q115 HydrophobicContact CE1-CB 4.47Å; Y106-Q115 HydrophobicContact CE1-CG 3.26Å; Y106-Q115 HydrophobicContact CE2-CG 4.4Å
116	Q	95.7	Very high	92.2	Very high	22 Å²	22	56.3 Å²	56.3	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.2	174	-174.7	173.8	68.4	0	0	111.9	T59 E61 W104 C105 I107	T59-Q116 HydrophobicContact CG2-CB 3.94Å; T59-Q116 HydrophobicContact CG2-CG 3.99Å; T59-Q116 VanDerWaalsContact CG2-OE1 3.27Å; T59-Q116 PolarHBondContact OG1-OE1 3.45Å; E61-Q116 VanDerWaalsContact CD-NE2 3.33Å; E61-Q116 PolarHBondContact OE2-NE2 2.92Å; W104-Q116 WeakPolarHBondContact CA-O 3.44Å; W104-Q116 VanDerWaalsContact CB-O 3.26Å; W104-Q116 WeakPolarHBondContact CB-O 3.47Å; C105-Q116 PolarHBondContact N-O 3.16Å; C105-Q116 PolarHBondContact O-N 2.78Å; I107-Q116 HydrophobicContact CD1-CB 3.85Å; I107-Q116 HydrophobicContact CD1-CG 4.38Å; I107-Q116 HydrophobicContact CG1-CB 4.08Å
117	S	95.6	Very high	91.6	Very high	31 Å²	31	61 Å²	61	22%	0.217	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.8	179.4	-55.4	0	0	0	0	112.6	Y60	Y60-S117 PolarHBondContact N-O 3.37Å; Y60-S117 VanDerWaalsContact N-O 3.16Å
118	C	95.9	Very high	90.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-86.3	-20.7	178.1	-63.2	0	0	0	0	113.8	R56 Y60 C93 P103	R56-C118 PolarHBondContact NE-O 2.03Å; R56-C118 PolarHBondContact NH2-O 2.95Å; Y60-C118 PolarHBondContact N-O 3.43Å; C93-C118 HydrophobicContact CB-CB 3.63Å; C93-C118 WeakPolarHBondContact CB-SG 3.07Å; C93-C118 WeakPolarHBondContact SG-CB 3.49Å; C93-C118 CovalentContact SG-SG 2.01Å; C93-C118 PolarHBondContact SG-SG 3.43Å; P103-C118 WeakPolarHBondContact O-CB 3.34Å; P103-C118 PolarHBondContact O-N 3.29Å
119	F	94	Very high	90.3	Very high	9 Å²	9	58.6 Å²	58.6	4%	0.039	31%	0.307	C	S	.	.			trans	-132.8	150.6	-178.9	-56.7	-91	0	0	0	110	V37 D38 I43 Y52 R56 P103	V37-F119 HydrophobicContact CG1-CD1 3.87Å; V37-F119 HydrophobicContact CG1-CD2 4.4Å; V37-F119 HydrophobicContact CG1-CE1 3.51Å; V37-F119 HydrophobicContact CG1-CE2 4.09Å; V37-F119 HydrophobicContact CG1-CG 4.28Å; V37-F119 HydrophobicContact CG1-CZ 3.61Å; D38-F119 VanDerWaalsContact OD1-CZ 3.29Å; D38-F119 WeakPolarHBondContact OD1-CZ 3.05Å; I43-F119 HydrophobicContact CD1-CB 3.77Å; I43-F119 HydrophobicContact CD1-CD2 3.55Å; I43-F119 HydrophobicContact CD1-CE2 4.23Å; I43-F119 HydrophobicContact CD1-CG 3.73Å; I43-F119 HydrophobicContact CG1-CB 3.86Å; I43-F119 HydrophobicContact CG1-CD1 4.41Å; I43-F119 HydrophobicContact CG1-CD2 4.24Å; I43-F119 HydrophobicContact CG1-CG 3.93Å; Y52-F119 HydrophobicContact CD2-CE2 4.27Å; Y52-F119 HydrophobicContact CD2-CZ 4.47Å; Y52-F119 HydrophobicContact CE1-CE2 4.29Å; Y52-F119 AromaticContact CE2-CE2 3.87Å; Y52-F119 HydrophobicContact CE2-CE2 3.87Å; Y52-F119 AromaticContact CE2-CZ 3.7Å; Y52-F119 HydrophobicContact CE2-CZ 3.7Å; Y52-F119 AromaticContact CZ-CE2 3.88Å; Y52-F119 AromaticContact CZ-CZ 3.76Å; R56-F119 HydrophobicContact CB-CE2 4.5Å; R56-F119 HydrophobicContact CB-CZ 4.02Å; R56-F119 HydrophobicContact CG-CZ 4.19Å; P103-F119 HydrophobicContact CB-CD2 4.15Å; P103-F119 HydrophobicContact CB-CE2 4.12Å; P103-F119 HydrophobicContact CG-CD2 4.1Å; P103-F119 HydrophobicContact CG-CE2 4.18Å
120	R	91.9	Very high	89.7	Confident	82 Å²	82	60 Å²	60	31%	0.309	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	166.1	159.5	-78.1	-170.5	174.9	165.7	-2.8	110.1	C42 I43 Y60 E124	C42-R120 WeakPolarHBondContact CA-O 3.46Å; I43-R120 PolarHBondContact N-O 2.77Å; Y60-R120 HydrophobicContact CD1-CG 3.96Å; Y60-R120 HydrophobicContact CD2-CB 4.03Å; Y60-R120 HydrophobicContact CD2-CG 3.61Å; Y60-R120 HydrophobicContact CE1-CG 4.16Å; Y60-R120 VanDerWaalsContact CE1-NH1 3.34Å; Y60-R120 HydrophobicContact CE2-CB 4.13Å; Y60-R120 HydrophobicContact CE2-CG 3.74Å; Y60-R120 HydrophobicContact CG-CG 3.73Å; Y60-R120 VanDerWaalsContact CZ-CD 3.41Å; Y60-R120 PolarHBondContact OH-NH1 3.35Å; R120-E124 HydrophobicContact CB-CB 4.32Å
121	T	92.8	Very high	89	Confident	26 Å²	26	60.4 Å²	60.4	16%	0.16	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	151.3	167.8	66.9	0	0	0	0	110.3	I43 E123 E124 R125	I43-T121 CarbonylContact O-C 3.56Å; I43-T121 WeakPolarHBondContact O-CA 3.41Å; T121-E123 PolarHBondContact O-N 3.43Å; T121-E124 WeakPolarHBondContact CB-OE2 3.27Å; T121-E124 PolarHBondContact N-OE2 3.4Å; T121-E124 PolarHBondContact O-N 3.3Å; T121-E124 WeakPolarHBondContact OG1-CB 3.34Å; T121-E124 WeakPolarHBondContact OG1-CG 3.47Å; T121-E124 PolarHBondContact OG1-N 3.22Å; T121-E124 PolarHBondContact OG1-OE2 3.46Å; T121-R125 WeakPolarHBondContact O-CB 2.96Å; T121-R125 PolarHBondContact O-N 3.15Å
122	C	89.9	Confident	88.7	Confident	33 Å²	33	58.6 Å²	58.6	22%	0.223	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-23.7	176.6	-65.6	0	0	0	0	112.9	C42 I43 S126	C42-C122 HydrophobicContact CB-CB 3.93Å; C42-C122 WeakPolarHBondContact CB-SG 3.45Å; C42-C122 WeakPolarHBondContact SG-CA 3.47Å; C42-C122 WeakPolarHBondContact SG-CB 3.32Å; C42-C122 CovalentContact SG-SG 2.05Å; C42-C122 PolarHBondContact SG-SG 2.79Å; I43-C122 PolarHBondContact O-N 3.4Å; C122-S126 VanDerWaalsContact O-CB 3.31Å; C122-S126 WeakPolarHBondContact O-CB 3.45Å; C122-S126 PolarHBondContact O-N 2.88Å
123	E	88.8	Confident	88.1	Confident	110 Å²	110	54.4 Å²	54.4	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-70.4	-49.8	174.2	-169.3	-166.7	145.5	0	0	111.2	T121 R125 S126 K127	T121-E123 PolarHBondContact O-N 3.43Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.48Å; E123-S126 PolarHBondContact O-N 3.21Å; E123-K127 PolarHBondContact O-N 3.27Å; E123-K127 VanDerWaalsContact O-N 3.16Å; E123-K127 WeakPolarHBondContact OE1-CE 3.48Å; E123-K127 IonicContact OE1-NZ 3.63Å; E123-K127 PolarHBondContact OE1-NZ 3.08Å
124	E	89.7	Confident	87.4	Confident	91 Å²	91	52 Å²	52	43%	0.425	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-42.9	175.5	-69.8	162	144.6	0	0	111.3	R120 T121 S126 K127 L128	R120-E124 HydrophobicContact CB-CB 4.32Å; T121-E124 WeakPolarHBondContact CB-OE2 3.27Å; T121-E124 PolarHBondContact N-OE2 3.4Å; T121-E124 PolarHBondContact O-N 3.3Å; T121-E124 WeakPolarHBondContact OG1-CB 3.34Å; T121-E124 WeakPolarHBondContact OG1-CG 3.47Å; T121-E124 PolarHBondContact OG1-N 3.22Å; T121-E124 PolarHBondContact OG1-OE2 3.46Å; E124-S126 VanDerWaalsContact C-N 3.34Å; E124-S126 PolarHBondContact O-N 3.17Å; E124-K127 PolarHBondContact O-N 3.44Å; E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 2.9Å
125	R	87.1	Confident	86.8	Confident	6 Å²	6	50.6 Å²	50.6	2%	0.023	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-45.1	175.5	-177.7	-175.7	164.3	125.4	31.3	111.4	K40 C42 T121 E123 K127 L128 D129 D157 Y283	K40-R125 PolarHBondContact O-NH1 3.46Å; C42-R125 HydrophobicContact CB-CB 4.14Å; C42-R125 HydrophobicContact CB-CG 4.5Å; T121-R125 WeakPolarHBondContact O-CB 2.96Å; T121-R125 PolarHBondContact O-N 3.15Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.48Å; R125-K127 PolarHBondContact O-N 3.12Å; R125-L128 PolarHBondContact O-N 3.12Å; R125-L128 VanDerWaalsContact O-N 3.12Å; R125-D129 IonicContact NE-OD1 2.68Å; R125-D129 IonicContact NE-OD2 3.41Å; R125-D129 IonicContact NH2-OD1 3.43Å; R125-D129 PolarHBondContact O-N 3.37Å; R125-D157 IonicContact CZ-OD1 3.11Å; R125-D157 IonicContact CZ-OD2 3.71Å; R125-D157 IonicContact NH1-OD1 2.71Å; R125-D157 IonicContact NH1-OD2 2.79Å; R125-D157 PolarHBondContact NH1-OD2 3.19Å; R125-D157 IonicContact NH2-OD1 2.68Å; R125-D157 PolarHBondContact NH2-OD1 3.33Å; R125-D157 IonicContact NH2-OD2 3.84Å; R125-D157 PolarHBondContact NH2-OD2 2.82Å; R125-Y283 VanDerWaalsContact CZ-OH 3.31Å; R125-Y283 PolarHBondContact NH2-OH 2.86Å
126	S	84.3	Confident	86.1	Confident	45 Å²	45	48.2 Å²	48.2	32%	0.315	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-30.8	179.8	-171.1	0	0	0	0	112.9	C122 E123 E124 L130	C122-S126 VanDerWaalsContact O-CB 3.31Å; C122-S126 WeakPolarHBondContact O-CB 3.45Å; C122-S126 PolarHBondContact O-N 2.88Å; E123-S126 PolarHBondContact O-N 3.21Å; E124-S126 VanDerWaalsContact C-N 3.34Å; E124-S126 PolarHBondContact O-N 3.17Å; S126-L130 VanDerWaalsContact O-CG 3.31Å; S126-L130 WeakPolarHBondContact O-CG 3.28Å; S126-L130 PolarHBondContact O-N 2.73Å
127	K	85	Confident	85	Confident	112 Å²	112	48.5 Å²	48.5	49%	0.487	25%	0.245	S	C	.	.	H	α-helix	trans	-66.9	-41.5	175.4	-68.5	171	-174.1	165.4	0	110.9	E123 E124 R125 L130	E123-K127 PolarHBondContact O-N 3.27Å; E123-K127 VanDerWaalsContact O-N 3.16Å; E123-K127 WeakPolarHBondContact OE1-CE 3.48Å; E123-K127 IonicContact OE1-NZ 3.63Å; E123-K127 PolarHBondContact OE1-NZ 3.08Å; E124-K127 PolarHBondContact O-N 3.44Å; R125-K127 PolarHBondContact O-N 3.12Å; K127-L130 WeakPolarHBondContact O-CB 3.1Å; K127-L130 PolarHBondContact O-N 3.22Å
128	L	80.6	Confident	83.5	Confident	58 Å²	58	50.7 Å²	50.7	30%	0.304	26%	0.26	S	S	.	.	H	α-helix	trans	-69.7	-42	177.5	-59.9	162.7	0	0	0	111.8	Y60 E124 R125 L130 E131 D132	Y60-L128 VanDerWaalsContact OH-CD1 3.23Å; Y60-L128 WeakPolarHBondContact OH-CD1 3.41Å; E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 2.9Å; R125-L128 PolarHBondContact O-N 3.12Å; R125-L128 VanDerWaalsContact O-N 3.12Å; L128-L130 PolarHBondContact O-N 3.46Å; L128-L130 VanDerWaalsContact O-N 3.1Å; L128-E131 PolarHBondContact O-N 3.18Å; L128-D132 WeakPolarHBondContact O-CB 3.02Å; L128-D132 PolarHBondContact O-N 3.38Å
129	D	79.4	Confident	81.8	Confident	10 Å²	10	54.2 Å²	54.2	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-20.7	175.8	-69	-3.2	0	0	0	112.1	R125 Y264 R265	R125-D129 IonicContact NE-OD1 2.68Å; R125-D129 IonicContact NE-OD2 3.41Å; R125-D129 IonicContact NH2-OD1 3.43Å; R125-D129 PolarHBondContact O-N 3.37Å; D129-Y264 HydrophobicContact CB-CD1 4.29Å; D129-Y264 HydrophobicContact CB-CG 4.33Å; D129-Y264 VanDerWaalsContact O-CB 3.26Å; D129-Y264 WeakPolarHBondContact O-CB 3.08Å; D129-R265 IonicContact OD2-NE 2.79Å; D129-R265 IonicContact OD2-NH2 3.83Å; D129-R265 PolarHBondContact OD2-NH2 2.77Å
130	L	76.7	Confident	79.9	Confident	124 Å²	124	56.7 Å²	56.7	65%	0.649	30%	0.303	S	S	*	.	H	α-helix	trans	-84.1	-28.6	176.7	-73.3	168.7	0	0	0	113.2	S126 K127 L128	S126-L130 VanDerWaalsContact O-CG 3.31Å; S126-L130 WeakPolarHBondContact O-CG 3.28Å; S126-L130 PolarHBondContact O-N 2.73Å; K127-L130 WeakPolarHBondContact O-CB 3.1Å; K127-L130 PolarHBondContact O-N 3.22Å; L128-L130 PolarHBondContact O-N 3.46Å; L128-L130 VanDerWaalsContact O-N 3.1Å
131	E	74.4	Confident	77.7	Confident	149 Å²	149	60.6 Å²	60.6	70%	0.696	33%	0.33	S	S	*	.	H	α-helix	trans	-89.8	-16.4	179.5	-66	174.5	-179	0	0	111.8	L128 T149	L128-E131 PolarHBondContact O-N 3.18Å; E131-T149 WeakPolarHBondContact O-CG2 3.35Å
132	D	79.9	Confident	75.2	Confident	28 Å²	28	63.3 Å²	63.3	15%	0.15	35%	0.347	C	S	.	.			trans	-87.6	127.2	-175	-165.4	26.1	0	0	0	113.2	L128 T149 R151 Y264	L128-D132 WeakPolarHBondContact O-CB 3.02Å; L128-D132 PolarHBondContact O-N 3.38Å; D132-T149 PolarHBondContact OD1-OG1 2.62Å; D132-R151 IonicContact OD1-NH1 3.42Å; D132-R151 IonicContact OD2-CZ 3.99Å; D132-R151 IonicContact OD2-NH1 3.76Å; D132-R151 PolarHBondContact OD2-NH1 3.28Å; D132-Y264 HydrophobicContact CB-CD2 4.08Å; D132-Y264 VanDerWaalsContact OD2-CD2 3.27Å; D132-Y264 WeakPolarHBondContact OD2-CD2 3.05Å; D132-Y264 WeakPolarHBondContact OD2-CE2 3.09Å
133	N	81.3	Confident	73	Confident	44 Å²	44	67.9 Å²	67.9	24%	0.235	37%	0.369	C	S	.	.			trans	-90	115.3	168.6	-178.1	-1.2	0	0	0	108.8	C135 P148 Y200	N133-C135 PolarHBondContact O-N 3Å; N133-C135 PolarHBondContact OD1-N 2.86Å; N133-C135 PolarHBondContact OD1-O 2.9Å; N133-C135 PolarHBondContact OD1-SG 2.94Å; N133-P148 HydrophobicContact CB-CB 3.57Å; N133-P148 HydrophobicContact CB-CG 4.2Å; N133-Y200 WeakPolarHBondContact O-CD1 3.46Å; N133-Y200 VanDerWaalsContact O-CE1 3.28Å; N133-Y200 WeakPolarHBondContact O-CE1 3.49Å
134	P	82.1	Confident	71.1	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.013	38%	0.384	C	S	.	.			trans	-75.1	-13.6	-174	33.3	-39.2	0	0	0	113.9	Y200 T201 L263 Y264	P134-Y200 WeakPolarHBondContact O-CA 3.14Å; P134-T201 PolarHBondContact O-N 2.71Å; P134-T201 VanDerWaalsContact O-N 3.12Å; P134-T201 PolarHBondContact O-OG1 3.32Å; P134-L263 WeakPolarHBondContact CG-O 3.22Å; P134-Y264 HydrophobicContact CB-CD2 4.15Å
135	C	83.3	Confident	69.1	Low	0 Å²	0	73.6 Å²	73.6	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.9	-174.6	76.7	0	0	0	0	112.8	N133 T201 C203	N133-C135 PolarHBondContact O-N 3Å; N133-C135 PolarHBondContact OD1-N 2.86Å; N133-C135 PolarHBondContact OD1-O 2.9Å; N133-C135 PolarHBondContact OD1-SG 2.94Å; C135-T201 CarbonylContact C-O 3.59Å; C135-T201 WeakPolarHBondContact CA-O 3.22Å; C135-T201 WeakPolarHBondContact CB-O 3.06Å; C135-C203 HydrophobicContact CB-CB 3.87Å; C135-C203 WeakPolarHBondContact CB-SG 3.45Å; C135-C203 WeakPolarHBondContact SG-CA 3.48Å; C135-C203 WeakPolarHBondContact SG-CB 3.49Å; C135-C203 CovalentContact SG-SG 2.05Å; C135-C203 PolarHBondContact SG-SG 2.88Å
136	F	79.2	Confident	67.3	Low	30 Å²	30	76.7 Å²	76.7	13%	0.132	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.7	178.9	-178	-96.2	0	0	0	109.3	M185 P186 Y200 T201 C203	F136-M185 HydrophobicContact CB-CE 4.02Å; F136-M185 HydrophobicContact CB-SD 4.19Å; F136-M185 HydrophobicContact CD1-CE 4.48Å; F136-M185 HydrophobicContact CD1-SD 3.55Å; F136-M185 VanDerWaalsContact CD1-SD 3.55Å; F136-M185 HydrophobicContact CE1-SD 4.32Å; F136-M185 HydrophobicContact CG-SD 4.19Å; F136-P186 HydrophobicContact CD2-CG 3.67Å; F136-P186 HydrophobicContact CE2-CG 3.61Å; F136-P186 HydrophobicContact CG-CG 4.29Å; F136-P186 HydrophobicContact CZ-CG 4.18Å; F136-Y200 VanDerWaalsContact CB-CB 3.48Å; F136-Y200 HydrophobicContact CB-CD1 4.38Å; F136-Y200 HydrophobicContact CB-CD2 4.32Å; F136-Y200 HydrophobicContact CB-CG 3.82Å; F136-T201 PolarHBondContact N-O 2.95Å; F136-C203 PolarHBondContact O-N 3.26Å
137	S	73.4	Confident	66.1	Low	28 Å²	28	76.9 Å²	76.9	20%	0.196	42%	0.417	C	S	.	.			trans	-109.3	124.7	177.1	166	0	0	0	0	110	S139 E206	S137-S139 VanDerWaalsContact C-N 3.28Å; S137-S139 PolarHBondContact OG-N 3.32Å; S137-S139 PolarHBondContact OG-OG 2.02Å; S137-E206 WeakPolarHBondContact CA-OE2 3.46Å; S137-E206 WeakPolarHBondContact CB-OE2 3.11Å; S137-E206 PolarHBondContact OG-OE1 2.88Å; S137-E206 PolarHBondContact OG-OE2 2.72Å
138	S	64	Low	64.7	Low	77 Å²	77	74.1 Å²	74.1	54%	0.538	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-21.1	177	58.7	0	0	0	0	112.4
139	S	59.8	Low	64	Low	75 Å²	75	73 Å²	73	52%	0.524	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.6	-173.9	72.1	0	0	0	0	114.3	S137 D141 E206	S137-S139 VanDerWaalsContact C-N 3.28Å; S137-S139 PolarHBondContact OG-N 3.32Å; S137-S139 PolarHBondContact OG-OG 2.02Å; S139-D141 PolarHBondContact O-N 3.29Å; S139-E206 PolarHBondContact OG-OE1 2.82Å
140	S	53.3	Low	63.9	Low	60 Å²	60	78 Å²	78	42%	0.42	43%	0.432	S	S	.	.	S	Bend	trans	-71.6	98.6	170.8	-88.2	0	0	0	0	110.3	T142	S140-T142 PolarHBondContact O-N 2.86Å
141	D	45.7	Very low	64.4	Low	164 Å²	164	72.5 Å²	72.5	88%	0.877	40%	0.403	S	S	*	.	S	Bend	trans	-52.4	17	-176.7	-81.4	-38.1	0	0	0	117.9	S139	S139-D141 PolarHBondContact O-N 3.29Å
142	T	41.6	Very low	65.2	Low	84 Å²	84	68.3 Å²	68.3	52%	0.515	38%	0.384	S	S	.	.			trans	-137.6	73.8	178.1	43.8	0	0	0	0	113.7	S140 N146	S140-T142 PolarHBondContact O-N 2.86Å; T142-N146 WeakPolarHBondContact O-CB 3.45Å; T142-N146 PolarHBondContact O-N 3.19Å; T142-N146 PolarHBondContact O-ND2 2.87Å; T142-N146 PolarHBondContact OG1-ND2 3.43Å
143	L	44.5	Very low	65.8	Low	129 Å²	129	68.1 Å²	68.1	68%	0.675	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	137.6	152.5	-78.5	90.1	0	0	0	109.1
144	P	47.1	Very low	66.3	Low	130 Å²	130	66 Å²	66	84%	0.844	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	cis	-119.2	20.8	15.4	28.6	-6.7	0	0	0	113.3
145	K	48.6	Very low	66.6	Low	191 Å²	191	67.8 Å²	67.8	83%	0.83	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-9	177.8	-76	-177.4	177.9	177.9	0	114	M147	K145-M147 PolarHBondContact O-N 3.34Å
146	N	50.1	Low	66.7	Low	70 Å²	70	72.4 Å²	72.4	37%	0.374	40%	0.396	S	S	.	.			trans	-99.9	50.6	-179	-70.1	-3.7	0	0	0	113.4	T142 P148	T142-N146 WeakPolarHBondContact O-CB 3.45Å; T142-N146 PolarHBondContact O-N 3.19Å; T142-N146 PolarHBondContact O-ND2 2.87Å; T142-N146 PolarHBondContact OG1-ND2 3.43Å; N146-P148 WeakPolarHBondContact O-CD 3.19Å
147	M	58.7	Low	67	Low	49 Å²	49	72.2 Å²	72.2	24%	0.241	40%	0.396	C	S	.	.			trans	-67.2	119.4	142.8	-147.3	-173.8	-65	0	0	104.5	K145 T149 L150 C176 Y200	K145-M147 PolarHBondContact O-N 3.34Å; M147-T149 WeakPolarHBondContact CB-O 3.12Å; M147-T149 WeakPolarHBondContact CG-O 3.45Å; M147-T149 PolarHBondContact O-N 3.42Å; M147-L150 HydrophobicContact CE-CD2 4.33Å; M147-L150 HydrophobicContact SD-CD2 4.35Å; M147-C176 HydrophobicContact CE-CB 4.43Å; M147-C176 WeakPolarHBondContact CE-O 3.22Å; M147-C176 HydrophobicContact SD-CB 4.07Å; M147-Y200 HydrophobicContact CG-CE2 4.1Å; M147-Y200 WeakPolarHBondContact CG-OH 3.14Å
148	P	56.2	Low	67.8	Low	55 Å²	55	72.1 Å²	72.1	36%	0.357	40%	0.395	S	S	.	.	S	Bend	trans	-51.9	-33.1	-175.9	-24.2	30.7	0	0	0	111.6	N133 N146 Y200	N133-P148 HydrophobicContact CB-CB 3.57Å; N133-P148 HydrophobicContact CB-CG 4.2Å; N146-P148 WeakPolarHBondContact O-CD 3.19Å; P148-Y200 HydrophobicContact CG-CE1 4.13Å
149	T	64.4	Low	69.1	Low	34 Å²	34	68.5 Å²	68.5	21%	0.209	37%	0.37	C	S	.	.	S	Bend	trans	-147.4	148.9	176.4	49.2	0	0	0	0	107.8	E131 D132 M147 R151 Y200	E131-T149 WeakPolarHBondContact O-CG2 3.35Å; D132-T149 PolarHBondContact OD1-OG1 2.62Å; M147-T149 WeakPolarHBondContact CB-O 3.12Å; M147-T149 WeakPolarHBondContact CG-O 3.45Å; M147-T149 PolarHBondContact O-N 3.42Å; T149-R151 PolarHBondContact O-N 3.24Å; T149-Y200 PolarHBondContact O-OH 3.37Å
150	L	78.6	Confident	70.8	Confident	115 Å²	115	65 Å²	65	60%	0.602	35%	0.345	S	S	*	.			trans	-69.3	84.3	166.4	-76.3	173.6	0	0	0	109	M147 F175	M147-L150 HydrophobicContact CE-CD2 4.33Å; M147-L150 HydrophobicContact SD-CD2 4.35Å; L150-F175 HydrophobicContact CB-CD1 3.69Å; L150-F175 HydrophobicContact CB-CE1 3.73Å; L150-F175 HydrophobicContact CB-CG 4.4Å; L150-F175 HydrophobicContact CB-CZ 4.47Å; L150-F175 HydrophobicContact CD1-CE1 4.43Å; L150-F175 HydrophobicContact CD1-CZ 4.37Å; L150-F175 HydrophobicContact CD2-CD1 4.38Å; L150-F175 HydrophobicContact CD2-CG 4.26Å; L150-F175 HydrophobicContact CG-CD1 4.49Å
151	R	87.3	Confident	72.7	Confident	8 Å²	8	62.2 Å²	62.2	3%	0.03	33%	0.325	C	S	.	.			trans	-79.1	142.2	-175.1	-173.2	172.6	177.6	119.8	3.2	110.8	D132 T149 R153 S154 F175 C176 C199 Y200 Y264	D132-R151 IonicContact OD1-NH1 3.42Å; D132-R151 IonicContact OD2-CZ 3.99Å; D132-R151 IonicContact OD2-NH1 3.76Å; D132-R151 PolarHBondContact OD2-NH1 3.28Å; T149-R151 PolarHBondContact O-N 3.24Å; R151-R153 WeakPolarHBondContact CG-O 3.33Å; R151-R153 PolarHBondContact NE-O 3.38Å; R151-S154 PolarHBondContact NH2-O 3.12Å; R151-S154 VanDerWaalsContact NH2-O 3.13Å; R151-F175 CarbonylContact O-C 3.45Å; R151-F175 WeakPolarHBondContact O-CA 3.47Å; R151-C176 PolarHBondContact O-N 3.24Å; R151-C176 PolarHBondContact O-SG 3.19Å; R151-C199 VanDerWaalsContact CZ-O 3.23Å; R151-C199 PolarHBondContact NE-O 2.99Å; R151-Y200 HydrophobicContact CB-CE1 4.47Å; R151-Y200 HydrophobicContact CB-CE2 4.38Å; R151-Y200 WeakPolarHBondContact CB-OH 3.2Å; R151-Y264 PolarHBondContact NH2-OH 3.26Å
152	Q	90.7	Very high	74.9	Confident	62 Å²	62	55.5 Å²	55.5	29%	0.29	29%	0.288	S	S	.	.			trans	-122.7	21.9	-177.4	-62.6	176.5	-70.2	0	0	111.6	C160 N174 F175	Q152-C160 PolarHBondContact O-N 3.36Å; Q152-N174 WeakPolarHBondContact CG-OD1 3.38Å; Q152-N174 PolarHBondContact NE2-OD1 2.93Å; Q152-F175 HydrophobicContact CG-CD1 3.42Å; Q152-F175 VanDerWaalsContact CG-CD1 3.42Å; Q152-F175 HydrophobicContact CG-CE1 3.52Å
153	R	91.3	Very high	77.3	Confident	23 Å²	23	53.5 Å²	53.5	9%	0.087	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-143.5	147.1	-176.2	-62.5	-174	166.5	-142.5	-6.5	111.3	R151 D157 V158 C160 C199	R151-R153 WeakPolarHBondContact CG-O 3.33Å; R151-R153 PolarHBondContact NE-O 3.38Å; R153-D157 WeakPolarHBondContact CD-OD1 3.35Å; R153-D157 IonicContact CZ-OD1 3.76Å; R153-D157 IonicContact NE-OD1 3.69Å; R153-D157 VanDerWaalsContact NH1-CG 3.26Å; R153-D157 PolarHBondContact NH1-O 3.33Å; R153-D157 IonicContact NH1-OD1 3.65Å; R153-D157 PolarHBondContact NH1-OD1 2.81Å; R153-D157 IonicContact NH1-OD2 3.97Å; R153-D157 PolarHBondContact NH1-OD2 2.89Å; R153-V158 CarbonylContact C-O 3.54Å; R153-V158 WeakPolarHBondContact CA-O 3.36Å; R153-C160 VanDerWaalsContact CA-SG 3.59Å; R153-C160 PolarHBondContact N-SG 3.17Å; R153-C199 WeakPolarHBondContact O-CB 3.42Å; R153-C199 PolarHBondContact O-SG 2.71Å
154	S	91.9	Very high	79.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.			trans	-63.1	170.7	170	73.2	0	0	0	0	111.6	R151 R156 D157 V158 E190 C199	R151-S154 PolarHBondContact NH2-O 3.12Å; R151-S154 VanDerWaalsContact NH2-O 3.13Å; S154-R156 PolarHBondContact O-N 2.87Å; S154-R156 PolarHBondContact OG-N 3.05Å; S154-D157 PolarHBondContact O-N 3.19Å; S154-V158 PolarHBondContact N-O 3.25Å; S154-V158 PolarHBondContact OG-N 3.24Å; S154-E190 WeakPolarHBondContact CB-OE1 2.98Å; S154-E190 PolarHBondContact OG-OE1 3.13Å; S154-C199 CarbonylContact C-O 3.5Å
155	N	88.9	Confident	81.4	Confident	39 Å²	39	47.9 Å²	47.9	21%	0.209	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.6	171.3	67.7	-13.7	0	0	0	112.6	D157 S198 C199 T201	N155-D157 VanDerWaalsContact C-N 3.32Å; N155-S198 WeakPolarHBondContact CB-O 3.23Å; N155-S198 VanDerWaalsContact CG-O 3.26Å; N155-S198 PolarHBondContact N-O 3.41Å; N155-S198 PolarHBondContact OD1-O 3.24Å; N155-C199 WeakPolarHBondContact CA-O 3.11Å; N155-C199 PolarHBondContact N-O 2.68Å; N155-T201 HydrophobicContact CB-CG2 4.1Å
156	R	86.3	Confident	83.2	Confident	97 Å²	97	42.2 Å²	42.2	37%	0.366	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	12.5	172	-64.4	-175.8	175.9	175.1	-1.6	113.8	S154 V158 W229	S154-R156 PolarHBondContact O-N 2.87Å; S154-R156 PolarHBondContact OG-N 3.05Å; R156-V158 HydrophobicContact CB-CG2 4.33Å; R156-V158 PolarHBondContact O-N 3.43Å; R156-W229 HydrophobicContact CB-CB 4.3Å; R156-W229 HydrophobicContact CB-CG 4.29Å; R156-W229 HydrophobicContact CG-CB 4.12Å; R156-W229 HydrophobicContact CG-CD2 4.14Å; R156-W229 HydrophobicContact CG-CG 3.85Å
157	D	85.5	Confident	84.7	Confident	26 Å²	26	40.7 Å²	40.7	14%	0.139	21%	0.211	C	C	.	.	S	Bend	trans	64.2	20.7	179.4	-171.1	53.7	0	0	0	114.4	R125 R153 S154 N155 Y264	R125-D157 IonicContact CZ-OD1 3.11Å; R125-D157 IonicContact CZ-OD2 3.71Å; R125-D157 IonicContact NH1-OD1 2.71Å; R125-D157 IonicContact NH1-OD2 2.79Å; R125-D157 PolarHBondContact NH1-OD2 3.19Å; R125-D157 IonicContact NH2-OD1 2.68Å; R125-D157 PolarHBondContact NH2-OD1 3.33Å; R125-D157 IonicContact NH2-OD2 3.84Å; R125-D157 PolarHBondContact NH2-OD2 2.82Å; R153-D157 WeakPolarHBondContact CD-OD1 3.35Å; R153-D157 IonicContact CZ-OD1 3.76Å; R153-D157 IonicContact NE-OD1 3.69Å; R153-D157 VanDerWaalsContact NH1-CG 3.26Å; R153-D157 PolarHBondContact NH1-O 3.33Å; R153-D157 IonicContact NH1-OD1 3.65Å; R153-D157 PolarHBondContact NH1-OD1 2.81Å; R153-D157 IonicContact NH1-OD2 3.97Å; R153-D157 PolarHBondContact NH1-OD2 2.89Å; S154-D157 PolarHBondContact O-N 3.19Å; N155-D157 VanDerWaalsContact C-N 3.32Å; D157-Y264 WeakPolarHBondContact CB-OH 3.15Å; D157-Y264 PolarHBondContact OD1-OH 3.46Å
158	V	88.3	Confident	85.8	Confident	27 Å²	27	48.9 Å²	48.9	16%	0.164	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-88.3	127.6	175.2	-176.1	0	0	0	0	109	R153 S154 R156 C160 E190 T192	R153-V158 CarbonylContact C-O 3.54Å; R153-V158 WeakPolarHBondContact CA-O 3.36Å; S154-V158 PolarHBondContact N-O 3.25Å; S154-V158 PolarHBondContact OG-N 3.24Å; R156-V158 HydrophobicContact CB-CG2 4.33Å; R156-V158 PolarHBondContact O-N 3.43Å; V158-C160 PolarHBondContact O-N 3.04Å; V158-E190 HydrophobicContact CB-CB 4.38Å; V158-E190 HydrophobicContact CB-CG 3.97Å; V158-E190 HydrophobicContact CG1-CB 3.86Å; V158-E190 HydrophobicContact CG1-CG 4.02Å; V158-T192 HydrophobicContact CG1-CG2 4.04Å
159	P	92.4	Very high	87.1	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-50.7	132	172.5	-28	36.8	0	0	0	112.3	F58 A191	F58-P159 HydrophobicContact CD2-CB 4.26Å; F58-P159 HydrophobicContact CD2-CG 3.87Å; F58-P159 HydrophobicContact CE2-CB 4.43Å; F58-P159 VanDerWaalsContact CE2-CD 3.44Å; F58-P159 HydrophobicContact CE2-CG 3.65Å; P159-A191 VanDerWaalsContact O-CB 3.3Å; P159-A191 WeakPolarHBondContact O-CB 3.45Å; P159-A191 PolarHBondContact O-N 3.39Å
160	C	95.3	Very high	88.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-65.3	138.1	171.8	-63.9	0	0	0	0	109.4	G62 Q152 R153 V158 N174 C188 Y189	G62-C160 WeakPolarHBondContact CA-O 3.43Å; Q152-C160 PolarHBondContact O-N 3.36Å; R153-C160 VanDerWaalsContact CA-SG 3.59Å; R153-C160 PolarHBondContact N-SG 3.17Å; V158-C160 PolarHBondContact O-N 3.04Å; C160-N174 HydrophobicContact CB-CB 3.87Å; C160-N174 WeakPolarHBondContact CB-O 3.35Å; C160-N174 VanDerWaalsContact O-CB 3.28Å; C160-N174 WeakPolarHBondContact O-CB 3.5Å; C160-N174 PolarHBondContact O-ND2 3.07Å; C160-C188 VanDerWaalsContact CA-SG 3.54Å; C160-C188 HydrophobicContact CB-CB 3.52Å; C160-C188 WeakPolarHBondContact CB-SG 3.39Å; C160-C188 WeakPolarHBondContact SG-CB 3.42Å; C160-C188 CovalentContact SG-SG 2.02Å; C160-C188 PolarHBondContact SG-SG 2.93Å; C160-Y189 CarbonylContact C-O 3.51Å; C160-Y189 WeakPolarHBondContact CA-O 3.38Å
161	L	93.7	Very high	88.6	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-66.4	144.4	167	-170.2	68.7	0	0	0	109.2	L165 L166 N174 Y189 A191 Q194	L161-L165 HydrophobicContact CD1-CB 4.42Å; L161-L165 HydrophobicContact CD1-CD1 3.63Å; L161-L165 HydrophobicContact CD2-CB 4.34Å; L161-L165 HydrophobicContact CG-CB 4.25Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L166 HydrophobicContact CD2-CD2 3.69Å; L161-L166 HydrophobicContact CD2-CG 4.01Å; L161-N174 WeakPolarHBondContact O-CB 3.3Å; L161-Y189 WeakPolarHBondContact CB-O 3.36Å; L161-Y189 PolarHBondContact N-O 3.02Å; L161-A191 HydrophobicContact CB-CB 4.5Å; L161-A191 HydrophobicContact CD1-CB 4.37Å; L161-Q194 HydrophobicContact CD2-CG 4.25Å
162	R	92	Very high	88.6	Confident	22 Å²	22	50.6 Å²	50.6	8%	0.083	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-66.7	137.5	173.5	-70.8	177.6	170.1	-99.9	0.6	111.7	E61 Y63 H164 L165 D172 D173 N174	E61-R162 PolarHBondContact O-NE 2.88Å; E61-R162 IonicContact OE2-NH2 3.7Å; Y63-R162 VanDerWaalsContact CE2-CZ 3.44Å; Y63-R162 PolarHBondContact OH-NE 2.78Å; R162-H164 VanDerWaalsContact C-N 3.33Å; R162-H164 PolarHBondContact O-N 3.5Å; R162-L165 HydrophobicContact CB-CD1 4.07Å; R162-L165 HydrophobicContact CB-CG 4.2Å; R162-L165 WeakPolarHBondContact O-CB 3.49Å; R162-L165 PolarHBondContact O-N 3.13Å; R162-L165 VanDerWaalsContact O-N 3.1Å; R162-D172 WeakPolarHBondContact CD-OD1 3.26Å; R162-D172 IonicContact CZ-OD1 3.88Å; R162-D172 IonicContact NE-OD1 2.77Å; R162-D172 VanDerWaalsContact NH1-CG 3.35Å; R162-D172 PolarHBondContact NH1-O 3Å; R162-D172 IonicContact NH1-OD1 3.76Å; R162-D172 PolarHBondContact NH1-OD1 3.02Å; R162-D172 IonicContact NH1-OD2 3.7Å; R162-D173 CarbonylContact C-O 3.57Å; R162-D173 VanDerWaalsContact CA-O 3.27Å; R162-D173 WeakPolarHBondContact CA-O 3.29Å; R162-N174 HydrophobicContact CB-CB 4.48Å; R162-N174 HydrophobicContact CG-CB 3.83Å
163	W	91.9	Very high	88.6	Confident	43 Å²	43	49.1 Å²	49.1	16%	0.163	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-65.7	-34.6	-172.6	-67.6	101	0	0	0	113	L165 L166 P171 D173 F175 R177 C188 Y189	W163-L165 PolarHBondContact O-N 2.85Å; W163-L166 HydrophobicContact CE3-CD1 3.89Å; W163-L166 HydrophobicContact CZ3-CD1 4.22Å; W163-L166 PolarHBondContact O-N 2.78Å; W163-L166 VanDerWaalsContact O-N 3.14Å; W163-P171 HydrophobicContact CB-CG 3.96Å; W163-P171 HydrophobicContact CG-CG 4.36Å; W163-D173 VanDerWaalsContact CD1-O 3.27Å; W163-D173 VanDerWaalsContact CD1-OD1 3.27Å; W163-D173 PolarHBondContact N-O 3.01Å; W163-F175 PolarHBondContact NE1-O 3.43Å; W163-R177 HydrophobicContact CH2-CB 4.46Å; W163-R177 HydrophobicContact CZ2-CB 3.98Å; W163-R177 HydrophobicContact CZ2-CG 3.82Å; W163-R177 VanDerWaalsContact NE1-NE 3.15Å; W163-C188 HydrophobicContact CZ2-CB 4.25Å; W163-Y189 HydrophobicContact CE3-CD2 4.37Å; W163-Y189 HydrophobicContact CH2-CD2 4.02Å; W163-Y189 HydrophobicContact CH2-CE2 4.25Å; W163-Y189 AromaticContact CZ3-CD2 3.63Å; W163-Y189 HydrophobicContact CZ3-CD2 3.63Å; W163-Y189 AromaticContact CZ3-CE2 3.71Å; W163-Y189 HydrophobicContact CZ3-CE2 3.71Å
164	H	89.6	Confident	88.6	Confident	60 Å²	60	48.1 Å²	48.1	28%	0.278	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.1	-22.6	175.5	77.3	-101	0	0	0	113.7	R162 L166 G167 G170 P171 D172	R162-H164 VanDerWaalsContact C-N 3.33Å; R162-H164 PolarHBondContact O-N 3.5Å; H164-L166 VanDerWaalsContact C-N 3.29Å; H164-G167 VanDerWaalsContact O-O 3.13Å; H164-G170 WeakPolarHBondContact CB-O 3.37Å; H164-P171 PolarHBondContact N-O 3.13Å; H164-P171 VanDerWaalsContact N-O 3.16Å; H164-D172 IonicContact CE1-OD1 3.08Å; H164-D172 PolarHBondContact CE1-OD1 3.21Å; H164-D172 IonicContact ND1-OD1 3.37Å; H164-D172 PolarHBondContact ND1-OD1 3.25Å
165	L	87	Confident	88.7	Confident	80 Å²	80	50.9 Å²	50.9	42%	0.419	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-77	-16.6	178.7	-62.3	175.2	0	0	0	112.7	L161 R162 W163	L161-L165 HydrophobicContact CD1-CB 4.42Å; L161-L165 HydrophobicContact CD1-CD1 3.63Å; L161-L165 HydrophobicContact CD2-CB 4.34Å; L161-L165 HydrophobicContact CG-CB 4.25Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; R162-L165 HydrophobicContact CB-CD1 4.07Å; R162-L165 HydrophobicContact CB-CG 4.2Å; R162-L165 WeakPolarHBondContact O-CB 3.49Å; R162-L165 PolarHBondContact O-N 3.13Å; R162-L165 VanDerWaalsContact O-N 3.1Å; W163-L165 PolarHBondContact O-N 2.85Å
166	L	86.7	Confident	88.8	Confident	73 Å²	73	49 Å²	49	38%	0.382	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-25.4	177.8	-65.6	168.4	0	0	0	112.5	L161 W163 H164 Y189	L161-L166 HydrophobicContact CD2-CD2 3.69Å; L161-L166 HydrophobicContact CD2-CG 4.01Å; W163-L166 HydrophobicContact CE3-CD1 3.89Å; W163-L166 HydrophobicContact CZ3-CD1 4.22Å; W163-L166 PolarHBondContact O-N 2.78Å; W163-L166 VanDerWaalsContact O-N 3.14Å; H164-L166 VanDerWaalsContact C-N 3.29Å; L166-Y189 HydrophobicContact CD1-CD1 4.48Å; L166-Y189 HydrophobicContact CD1-CD2 3.21Å; L166-Y189 HydrophobicContact CD1-CE2 3.76Å; L166-Y189 HydrophobicContact CD1-CG 3.63Å; L166-Y189 HydrophobicContact CD2-CD1 4.48Å; L166-Y189 HydrophobicContact CD2-CG 4.24Å; L166-Y189 HydrophobicContact CG-CD2 4.5Å
167	G	82.8	Confident	89	Confident	38 Å²	38	49 Å²	49	39%	0.392	27%	0.274	S	S	.	.	S	Bend	trans	-172.1	149.9	-176.5	0	0	0	0	0	113	H164 G169 G170	H164-G167 VanDerWaalsContact O-O 3.13Å; G167-G169 PolarHBondContact O-N 3.12Å; G167-G170 PolarHBondContact O-N 3.29Å
168	K	80.3	Confident	89.1	Confident	221 Å²	221	52.2 Å²	52.2	96%	0.961	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	131	178.3	-68.8	-173.5	178	-177	0	110.5
169	G	83.3	Confident	89	Confident	87 Å²	87	51.8 Å²	51.8	90%	0.897	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-0.3	177.7	0	0	0	0	0	115	G167	G167-G169 PolarHBondContact O-N 3.12Å
170	G	85.5	Confident	88.6	Confident	28 Å²	28	57 Å²	57	29%	0.289	33%	0.329	S	S	.	.			trans	-63.5	153	168.4	0	0	0	0	0	111.8	H164 G167	H164-G170 WeakPolarHBondContact CB-O 3.37Å; G167-G170 PolarHBondContact O-N 3.29Å
171	P	89	Confident	88.3	Confident	54 Å²	54	63.4 Å²	63.4	35%	0.351	36%	0.359	S	S	.	.			trans	-66.1	149.3	177.1	25.7	-31.5	0	0	0	111.7	W163 H164 D173	W163-P171 HydrophobicContact CB-CG 3.96Å; W163-P171 HydrophobicContact CG-CG 4.36Å; H164-P171 PolarHBondContact N-O 3.13Å; H164-P171 VanDerWaalsContact N-O 3.16Å; P171-D173 PolarHBondContact O-N 3.17Å
172	D	87.4	Confident	88	Confident	79 Å²	79	64.2 Å²	64.2	42%	0.422	36%	0.363	S	S	.	.	S	Bend	trans	-82.5	56.4	171.4	-173.1	28.2	0	0	0	112.4	R162 H164	R162-D172 WeakPolarHBondContact CD-OD1 3.26Å; R162-D172 IonicContact CZ-OD1 3.88Å; R162-D172 IonicContact NE-OD1 2.77Å; R162-D172 VanDerWaalsContact NH1-CG 3.35Å; R162-D172 PolarHBondContact NH1-O 3Å; R162-D172 IonicContact NH1-OD1 3.76Å; R162-D172 PolarHBondContact NH1-OD1 3.02Å; R162-D172 IonicContact NH1-OD2 3.7Å; H164-D172 IonicContact CE1-OD1 3.08Å; H164-D172 PolarHBondContact CE1-OD1 3.21Å; H164-D172 IonicContact ND1-OD1 3.37Å; H164-D172 PolarHBondContact ND1-OD1 3.25Å
173	D	90.8	Very high	87.4	Confident	31 Å²	31	69.5 Å²	69.5	17%	0.166	39%	0.393	C	S	.	.			trans	-137.6	171.8	167.6	68.5	55.5	0	0	0	109.3	R162 W163 P171 F175 R177	R162-D173 CarbonylContact C-O 3.57Å; R162-D173 VanDerWaalsContact CA-O 3.27Å; R162-D173 WeakPolarHBondContact CA-O 3.29Å; W163-D173 VanDerWaalsContact CD1-O 3.27Å; W163-D173 VanDerWaalsContact CD1-OD1 3.27Å; W163-D173 PolarHBondContact N-O 3.01Å; P171-D173 PolarHBondContact O-N 3.17Å; D173-F175 HydrophobicContact CB-CD2 3.51Å; D173-F175 HydrophobicContact CB-CE2 3.68Å; D173-F175 HydrophobicContact CB-CG 4.38Å; D173-F175 VanDerWaalsContact CG-CD2 3.47Å; D173-F175 PolarHBondContact OD1-N 3Å; D173-R177 IonicContact OD1-CZ 3.97Å; D173-R177 IonicContact OD1-NE 3.6Å; D173-R177 IonicContact OD1-NH2 3.22Å; D173-R177 PolarHBondContact OD1-NH2 2.81Å; D173-R177 IonicContact OD2-NH2 2.74Å; D173-R177 PolarHBondContact OD2-NH2 2.8Å
174	N	92.5	Very high	86.9	Confident	1 Å²	1	69 Å²	69	1%	0.005	40%	0.401	C	S	.	.			trans	-128.1	30.4	173.5	65.8	-22.6	0	0	0	110.9	E61 Q152 C160 L161 R162	E61-N174 PolarHBondContact O-ND2 3.12Å; Q152-N174 WeakPolarHBondContact CG-OD1 3.38Å; Q152-N174 PolarHBondContact NE2-OD1 2.93Å; C160-N174 HydrophobicContact CB-CB 3.87Å; C160-N174 WeakPolarHBondContact CB-O 3.35Å; C160-N174 VanDerWaalsContact O-CB 3.28Å; C160-N174 WeakPolarHBondContact O-CB 3.5Å; C160-N174 PolarHBondContact O-ND2 3.07Å; L161-N174 WeakPolarHBondContact O-CB 3.3Å; R162-N174 HydrophobicContact CB-CB 4.48Å; R162-N174 HydrophobicContact CG-CB 3.83Å
175	F	92.5	Very high	86.6	Confident	58 Å²	58	66.5 Å²	66.5	25%	0.254	39%	0.39	S	S	.	.			trans	-68.4	144.5	178.6	-62.6	-58.3	0	0	0	110.1	L150 R151 Q152 W163 D173	L150-F175 HydrophobicContact CB-CD1 3.69Å; L150-F175 HydrophobicContact CB-CE1 3.73Å; L150-F175 HydrophobicContact CB-CG 4.4Å; L150-F175 HydrophobicContact CB-CZ 4.47Å; L150-F175 HydrophobicContact CD1-CE1 4.43Å; L150-F175 HydrophobicContact CD1-CZ 4.37Å; L150-F175 HydrophobicContact CD2-CD1 4.38Å; L150-F175 HydrophobicContact CD2-CG 4.26Å; L150-F175 HydrophobicContact CG-CD1 4.49Å; R151-F175 CarbonylContact O-C 3.45Å; R151-F175 WeakPolarHBondContact O-CA 3.47Å; Q152-F175 HydrophobicContact CG-CD1 3.42Å; Q152-F175 VanDerWaalsContact CG-CD1 3.42Å; Q152-F175 HydrophobicContact CG-CE1 3.52Å; W163-F175 PolarHBondContact NE1-O 3.43Å; D173-F175 HydrophobicContact CB-CD2 3.51Å; D173-F175 HydrophobicContact CB-CE2 3.68Å; D173-F175 HydrophobicContact CB-CG 4.38Å; D173-F175 VanDerWaalsContact CG-CD2 3.47Å; D173-F175 PolarHBondContact OD1-N 3Å
176	C	92.3	Very high	86.7	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.007	37%	0.37	C	S	.	.			trans	-57	147.1	171.8	-61	0	0	0	0	110.3	M147 R151 P186 G187 C199 Y200	M147-C176 HydrophobicContact CE-CB 4.43Å; M147-C176 WeakPolarHBondContact CE-O 3.22Å; M147-C176 HydrophobicContact SD-CB 4.07Å; R151-C176 PolarHBondContact O-N 3.24Å; R151-C176 PolarHBondContact O-SG 3.19Å; C176-P186 HydrophobicContact CB-CB 4.32Å; C176-G187 WeakPolarHBondContact CA-O 3.47Å; C176-C199 HydrophobicContact CB-CB 3.6Å; C176-C199 WeakPolarHBondContact CB-SG 3.32Å; C176-C199 WeakPolarHBondContact SG-CB 3.11Å; C176-C199 CovalentContact SG-SG 2Å; C176-C199 PolarHBondContact SG-SG 3.21Å; C176-Y200 HydrophobicContact CB-CE2 4.44Å
177	R	89.6	Confident	87	Confident	97 Å²	97	59.3 Å²	59.3	37%	0.366	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.1	179.8	-63.2	179.3	-174.1	-90.1	-10.6	108.9	W163 D173 S179 P186 G187	W163-R177 HydrophobicContact CH2-CB 4.46Å; W163-R177 HydrophobicContact CZ2-CB 3.98Å; W163-R177 HydrophobicContact CZ2-CG 3.82Å; W163-R177 VanDerWaalsContact NE1-NE 3.15Å; D173-R177 IonicContact OD1-CZ 3.97Å; D173-R177 IonicContact OD1-NE 3.6Å; D173-R177 IonicContact OD1-NH2 3.22Å; D173-R177 PolarHBondContact OD1-NH2 2.81Å; D173-R177 IonicContact OD2-NH2 2.74Å; D173-R177 PolarHBondContact OD2-NH2 2.8Å; R177-S179 PolarHBondContact O-N 2.88Å; R177-P186 CarbonylContact O-C 3.54Å; R177-P186 WeakPolarHBondContact O-CA 2.97Å; R177-G187 PolarHBondContact N-O 3.19Å; R177-G187 PolarHBondContact O-N 2.83Å
178	V	87.4	Confident	87.6	Confident	93 Å²	93	57.5 Å²	57.5	56%	0.564	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.2	125.2	171.9	169.4	0	0	0	0	108.2	G184 P186	V178-G184 WeakPolarHBondContact CG1-O 2.85Å; V178-P186 HydrophobicContact CG2-CG 4.31Å
179	S	86.2	Confident	88.3	Confident	17 Å²	17	49.7 Å²	49.7	12%	0.119	30%	0.298	C	S	.	.			trans	-118	131.2	179.6	-178.1	0	0	0	0	110.3	R177 E181 L182 G184 M185	R177-S179 PolarHBondContact O-N 2.88Å; S179-E181 PolarHBondContact O-N 2.86Å; S179-E181 PolarHBondContact OG-N 2.85Å; S179-L182 PolarHBondContact O-N 2.83Å; S179-G184 WeakPolarHBondContact O-CA 3.35Å; S179-G184 PolarHBondContact O-N 3.47Å; S179-M185 PolarHBondContact N-O 3.36Å
180	S	85.5	Confident	88.8	Confident	111 Å²	111	46 Å²	46	78%	0.776	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-67.2	-26.1	170.4	53	0	0	0	0	112.4	L182 D183	S180-L182 PolarHBondContact O-N 3.17Å; S180-D183 PolarHBondContact O-N 2Å
181	E	88.8	Confident	89.1	Confident	135 Å²	135	44.6 Å²	44.6	63%	0.631	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-72.1	-14.5	175.7	-63.2	175.7	-121.6	0	0	112.7	S179 L196	S179-E181 PolarHBondContact O-N 2.86Å; S179-E181 PolarHBondContact OG-N 2.85Å; E181-L196 HydrophobicContact CB-CD2 3.71Å; E181-L196 HydrophobicContact CG-CD2 4.31Å
182	L	86.1	Confident	89	Confident	20 Å²	20	44.3 Å²	44.3	11%	0.105	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-114.5	29.7	177	-57.5	175.5	0	0	0	110.9	S179 S180 G184 M185 L196	S179-L182 PolarHBondContact O-N 2.83Å; S180-L182 PolarHBondContact O-N 3.17Å; L182-G184 PolarHBondContact O-N 3.22Å; L182-G184 VanDerWaalsContact O-N 3.12Å; L182-M185 HydrophobicContact CB-CB 4.04Å; L182-M185 WeakPolarHBondContact O-CB 2.83Å; L182-M185 PolarHBondContact O-N 2.84Å; L182-L196 HydrophobicContact CD1-CD1 4.24Å; L182-L196 HydrophobicContact CD1-CD2 4.41Å; L182-L196 HydrophobicContact CD1-CG 4.06Å; L182-L196 HydrophobicContact CD2-CG 4.42Å; L182-L196 HydrophobicContact CG-CD2 4.15Å; L182-L196 HydrophobicContact CG-CG 4.24Å
183	D	80.5	Confident	89.1	Confident	132 Å²	132	43.8 Å²	43.8	71%	0.706	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.3	178.5	-55.8	-48.7	0	0	0	113.6	S180 M185	S180-D183 PolarHBondContact O-N 2Å; D183-M185 VanDerWaalsContact C-N 3.32Å
184	G	80.2	Confident	89.1	Confident	32 Å²	32	47 Å²	47	33%	0.33	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-3.8	-178.8	0	0	0	0	0	114.6	V178 S179 L182	V178-G184 WeakPolarHBondContact CG1-O 2.85Å; S179-G184 WeakPolarHBondContact O-CA 3.35Å; S179-G184 PolarHBondContact O-N 3.47Å; L182-G184 PolarHBondContact O-N 3.22Å; L182-G184 VanDerWaalsContact O-N 3.12Å
185	M	84.1	Confident	89.2	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.039	28%	0.275	C	S	.	.			trans	-66.2	138.9	172.1	-72.5	-74.3	-71.1	0	0	110.7	F136 S179 L182 D183 G187 Y200 F211	F136-M185 HydrophobicContact CB-CE 4.02Å; F136-M185 HydrophobicContact CB-SD 4.19Å; F136-M185 HydrophobicContact CD1-CE 4.48Å; F136-M185 HydrophobicContact CD1-SD 3.55Å; F136-M185 VanDerWaalsContact CD1-SD 3.55Å; F136-M185 HydrophobicContact CE1-SD 4.32Å; F136-M185 HydrophobicContact CG-SD 4.19Å; S179-M185 PolarHBondContact N-O 3.36Å; L182-M185 HydrophobicContact CB-CB 4.04Å; L182-M185 WeakPolarHBondContact O-CB 2.83Å; L182-M185 PolarHBondContact O-N 2.84Å; D183-M185 VanDerWaalsContact C-N 3.32Å; M185-G187 PolarHBondContact O-N 2.86Å; M185-Y200 WeakPolarHBondContact CE-O 3.41Å; M185-F211 HydrophobicContact SD-CE1 4.36Å; M185-F211 HydrophobicContact SD-CZ 4.39Å
186	P	89.8	Confident	89.2	Confident	2 Å²	2	50 Å²	50	1%	0.013	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129	171.4	-17.1	29.4	0	0	0	110.8	F136 C176 R177 V178 C199 Y200	F136-P186 HydrophobicContact CD2-CG 3.67Å; F136-P186 HydrophobicContact CE2-CG 3.61Å; F136-P186 HydrophobicContact CG-CG 4.29Å; F136-P186 HydrophobicContact CZ-CG 4.18Å; C176-P186 HydrophobicContact CB-CB 4.32Å; R177-P186 CarbonylContact O-C 3.54Å; R177-P186 WeakPolarHBondContact O-CA 2.97Å; V178-P186 HydrophobicContact CG2-CG 4.31Å; P186-C199 PolarHBondContact O-N 2.8Å; P186-Y200 HydrophobicContact CB-CD2 3.82Å; P186-Y200 HydrophobicContact CB-CE2 3.81Å; P186-Y200 HydrophobicContact CG-CD2 3.96Å; P186-Y200 HydrophobicContact CG-CE2 4.09Å
187	G	92.8	Very high	89.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	175.9	178.6	0	0	0	0	0	113	C176 R177 M185 R197 C199	C176-G187 WeakPolarHBondContact CA-O 3.47Å; R177-G187 PolarHBondContact N-O 3.19Å; R177-G187 PolarHBondContact O-N 2.83Å; M185-G187 PolarHBondContact O-N 2.86Å; G187-R197 CarbonylContact C-O 3.43Å; G187-R197 WeakPolarHBondContact CA-O 3.47Å; G187-C199 VanDerWaalsContact C-SG 3.59Å
188	C	95.3	Very high	89.4	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163.1	174	71.5	0	0	0	0	110	C160 W163 R197	C160-C188 VanDerWaalsContact CA-SG 3.54Å; C160-C188 HydrophobicContact CB-CB 3.52Å; C160-C188 WeakPolarHBondContact CB-SG 3.39Å; C160-C188 WeakPolarHBondContact SG-CB 3.42Å; C160-C188 CovalentContact SG-SG 2.02Å; C160-C188 PolarHBondContact SG-SG 2.93Å; W163-C188 HydrophobicContact CZ2-CB 4.25Å; C188-R197 PolarHBondContact N-O 2.99Å; C188-R197 PolarHBondContact O-N 2.68Å
189	Y	95.1	Very high	89.6	Confident	58 Å²	58	45.6 Å²	45.6	23%	0.227	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129	170.2	-69	-90.8	0	0	0	109.2	C160 L161 W163 L166 Q194 E195 L196	C160-Y189 CarbonylContact C-O 3.51Å; C160-Y189 WeakPolarHBondContact CA-O 3.38Å; L161-Y189 WeakPolarHBondContact CB-O 3.36Å; L161-Y189 PolarHBondContact N-O 3.02Å; W163-Y189 HydrophobicContact CE3-CD2 4.37Å; W163-Y189 HydrophobicContact CH2-CD2 4.02Å; W163-Y189 HydrophobicContact CH2-CE2 4.25Å; W163-Y189 AromaticContact CZ3-CD2 3.63Å; W163-Y189 HydrophobicContact CZ3-CD2 3.63Å; W163-Y189 AromaticContact CZ3-CE2 3.71Å; W163-Y189 HydrophobicContact CZ3-CE2 3.71Å; L166-Y189 HydrophobicContact CD1-CD1 4.48Å; L166-Y189 HydrophobicContact CD1-CD2 3.21Å; L166-Y189 HydrophobicContact CD1-CE2 3.76Å; L166-Y189 HydrophobicContact CD1-CG 3.63Å; L166-Y189 HydrophobicContact CD2-CD1 4.48Å; L166-Y189 HydrophobicContact CD2-CG 4.24Å; L166-Y189 HydrophobicContact CG-CD2 4.5Å; Y189-Q194 WeakPolarHBondContact CD1-O 3.48Å; Y189-E195 WeakPolarHBondContact CA-O 3.49Å; Y189-L196 HydrophobicContact CD1-CB 4.12Å; Y189-L196 HydrophobicContact CD2-CD1 4.22Å; Y189-L196 HydrophobicContact CE1-CB 3.82Å; Y189-L196 HydrophobicContact CE2-CD1 4.07Å
190	E	94.2	Very high	89.7	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.037	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-70.9	138	177.8	-71	-171.8	157.8	0	0	111.5	S154 V158 T192 T193 Q194 E195 R197	S154-E190 WeakPolarHBondContact CB-OE1 2.98Å; S154-E190 PolarHBondContact OG-OE1 3.13Å; V158-E190 HydrophobicContact CB-CB 4.38Å; V158-E190 HydrophobicContact CB-CG 3.97Å; V158-E190 HydrophobicContact CG1-CB 3.86Å; V158-E190 HydrophobicContact CG1-CG 4.02Å; E190-T192 PolarHBondContact O-N 3.21Å; E190-T192 VanDerWaalsContact O-N 3.14Å; E190-T193 PolarHBondContact OE2-OG1 2.77Å; E190-Q194 VanDerWaalsContact O-CA 3.26Å; E190-Q194 WeakPolarHBondContact O-CA 3.2Å; E190-Q194 PolarHBondContact O-N 3.22Å; E190-E195 PolarHBondContact N-O 3Å; E190-R197 HydrophobicContact CG-CB 4.15Å; E190-R197 HydrophobicContact CG-CG 3.87Å
191	A	91.1	Very high	89.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.7	-179.5	0	0	0	0	0	113.9	F58 R64 P159 L161	F58-A191 HydrophobicContact CB-CB 3.94Å; F58-A191 HydrophobicContact CD2-CB 4.33Å; F58-A191 HydrophobicContact CG-CB 4.15Å; R64-A191 PolarHBondContact NH1-O 2.77Å; P159-A191 VanDerWaalsContact O-CB 3.3Å; P159-A191 WeakPolarHBondContact O-CB 3.45Å; P159-A191 PolarHBondContact O-N 3.39Å; L161-A191 HydrophobicContact CB-CB 4.5Å; L161-A191 HydrophobicContact CD1-CB 4.37Å
192	T	87.1	Confident	89.1	Confident	47 Å²	47	34.8 Å²	34.8	29%	0.288	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-59.2	-180	45.5	0	0	0	0	112.4	F58 V158 E190	F58-T192 HydrophobicContact CD1-CG2 3.52Å; F58-T192 HydrophobicContact CE1-CG2 3.08Å; F58-T192 HydrophobicContact CG-CG2 4.46Å; F58-T192 HydrophobicContact CZ-CG2 3.67Å; V158-T192 HydrophobicContact CG1-CG2 4.04Å; E190-T192 PolarHBondContact O-N 3.21Å; E190-T192 VanDerWaalsContact O-N 3.14Å
193	T	89.1	Confident	88.7	Confident	69 Å²	69	33.9 Å²	33.9	42%	0.423	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-19.5	-169	56.8	0	0	0	0	112.9	E190 E195	E190-T193 PolarHBondContact OE2-OG1 2.77Å; T193-E195 PolarHBondContact O-N 2.81Å; T193-E195 WeakPolarHBondContact OG1-CB 3.34Å; T193-E195 PolarHBondContact OG1-N 3.05Å
194	Q	91.1	Very high	88.4	Confident	98 Å²	98	28.4 Å²	28.4	46%	0.458	15%	0.152	S	C	.	.			trans	55.8	27.3	-167.4	-52.5	-178.1	-7.2	0	0	112.5	L161 Y189 E190	L161-Q194 HydrophobicContact CD2-CG 4.25Å; Y189-Q194 WeakPolarHBondContact CD1-O 3.48Å; E190-Q194 VanDerWaalsContact O-CA 3.26Å; E190-Q194 WeakPolarHBondContact O-CA 3.2Å; E190-Q194 PolarHBondContact O-N 3.22Å
195	E	93.5	Very high	87.7	Confident	91 Å²	91	30.3 Å²	30.3	43%	0.425	17%	0.171	S	C	.	.			trans	-92	138.4	172.4	-67.2	174.8	169.6	0	0	109.3	Y189 E190 T193 R197	Y189-E195 WeakPolarHBondContact CA-O 3.49Å; E190-E195 PolarHBondContact N-O 3Å; T193-E195 PolarHBondContact O-N 2.81Å; T193-E195 WeakPolarHBondContact OG1-CB 3.34Å; T193-E195 PolarHBondContact OG1-N 3.05Å; E195-R197 PolarHBondContact O-N 3.44Å; E195-R197 IonicContact OE2-CZ 2.95Å; E195-R197 IonicContact OE2-NE 2.69Å; E195-R197 PolarHBondContact OE2-NE 3.09Å; E195-R197 IonicContact OE2-NH2 2.96Å; E195-R197 PolarHBondContact OE2-NH2 3.16Å
196	L	94	Very high	86.9	Confident	30 Å²	30	32.8 Å²	32.8	16%	0.157	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	121.5	172.1	-178.4	62.4	0	0	0	109.3	E181 L182 Y189	E181-L196 HydrophobicContact CB-CD2 3.71Å; E181-L196 HydrophobicContact CG-CD2 4.31Å; L182-L196 HydrophobicContact CD1-CD1 4.24Å; L182-L196 HydrophobicContact CD1-CD2 4.41Å; L182-L196 HydrophobicContact CD1-CG 4.06Å; L182-L196 HydrophobicContact CD2-CG 4.42Å; L182-L196 HydrophobicContact CG-CD2 4.15Å; L182-L196 HydrophobicContact CG-CG 4.24Å; Y189-L196 HydrophobicContact CD1-CB 4.12Å; Y189-L196 HydrophobicContact CD2-CD1 4.22Å; Y189-L196 HydrophobicContact CE1-CB 3.82Å; Y189-L196 HydrophobicContact CE2-CD1 4.07Å
197	R	94.1	Very high	85.5	Confident	81 Å²	81	36.2 Å²	36.2	31%	0.306	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.9	178.9	-63.2	-63.4	-176.3	-176.6	-1.4	110.3	G187 C188 E190 E195	G187-R197 CarbonylContact C-O 3.43Å; G187-R197 WeakPolarHBondContact CA-O 3.47Å; C188-R197 PolarHBondContact N-O 2.99Å; C188-R197 PolarHBondContact O-N 2.68Å; E190-R197 HydrophobicContact CG-CB 4.15Å; E190-R197 HydrophobicContact CG-CG 3.87Å; E195-R197 PolarHBondContact O-N 3.44Å; E195-R197 IonicContact OE2-CZ 2.95Å; E195-R197 IonicContact OE2-NE 2.69Å; E195-R197 PolarHBondContact OE2-NE 3.09Å; E195-R197 IonicContact OE2-NH2 2.96Å; E195-R197 PolarHBondContact OE2-NH2 3.16Å
198	S	91.6	Very high	83.6	Confident	19 Å²	19	38.3 Å²	38.3	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	138.4	171.4	-51	0	0	0	0	110	N155 Y200	N155-S198 WeakPolarHBondContact CB-O 3.23Å; N155-S198 VanDerWaalsContact CG-O 3.26Å; N155-S198 PolarHBondContact N-O 3.41Å; N155-S198 PolarHBondContact OD1-O 3.24Å; S198-Y200 WeakPolarHBondContact CB-O 3.17Å
199	C	91.8	Very high	81.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-81.1	-27.2	173.6	-72.1	0	0	0	0	112.8	R151 R153 S154 N155 C176 P186 G187	R151-C199 VanDerWaalsContact CZ-O 3.23Å; R151-C199 PolarHBondContact NE-O 2.99Å; R153-C199 WeakPolarHBondContact O-CB 3.42Å; R153-C199 PolarHBondContact O-SG 2.71Å; S154-C199 CarbonylContact C-O 3.5Å; N155-C199 WeakPolarHBondContact CA-O 3.11Å; N155-C199 PolarHBondContact N-O 2.68Å; C176-C199 HydrophobicContact CB-CB 3.6Å; C176-C199 WeakPolarHBondContact CB-SG 3.32Å; C176-C199 WeakPolarHBondContact SG-CB 3.11Å; C176-C199 CovalentContact SG-SG 2Å; C176-C199 PolarHBondContact SG-SG 3.21Å; P186-C199 PolarHBondContact O-N 2.8Å; G187-C199 VanDerWaalsContact C-SG 3.59Å
200	Y	87.4	Confident	79.4	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	29%	0.294	C	S	.	.	S	Bend	trans	-117.7	153.9	-176.6	-60.1	-88.6	0	0	0	110.3	N133 P134 F136 M147 P148 T149 R151 C176 M185 P186 S198	N133-Y200 WeakPolarHBondContact O-CD1 3.46Å; N133-Y200 VanDerWaalsContact O-CE1 3.28Å; N133-Y200 WeakPolarHBondContact O-CE1 3.49Å; P134-Y200 WeakPolarHBondContact O-CA 3.14Å; F136-Y200 VanDerWaalsContact CB-CB 3.48Å; F136-Y200 HydrophobicContact CB-CD1 4.38Å; F136-Y200 HydrophobicContact CB-CD2 4.32Å; F136-Y200 HydrophobicContact CB-CG 3.82Å; M147-Y200 HydrophobicContact CG-CE2 4.1Å; M147-Y200 WeakPolarHBondContact CG-OH 3.14Å; P148-Y200 HydrophobicContact CG-CE1 4.13Å; T149-Y200 PolarHBondContact O-OH 3.37Å; R151-Y200 HydrophobicContact CB-CE1 4.47Å; R151-Y200 HydrophobicContact CB-CE2 4.38Å; R151-Y200 WeakPolarHBondContact CB-OH 3.2Å; C176-Y200 HydrophobicContact CB-CE2 4.44Å; M185-Y200 WeakPolarHBondContact CE-O 3.41Å; P186-Y200 HydrophobicContact CB-CD2 3.82Å; P186-Y200 HydrophobicContact CB-CE2 3.81Å; P186-Y200 HydrophobicContact CG-CD2 3.96Å; P186-Y200 HydrophobicContact CG-CE2 4.09Å; S198-Y200 WeakPolarHBondContact CB-O 3.17Å
201	T	83.1	Confident	77.4	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	158.3	160.1	59.7	0	0	0	0	109.3	P134 C135 F136 N155 S231	P134-T201 PolarHBondContact O-N 2.71Å; P134-T201 VanDerWaalsContact O-N 3.12Å; P134-T201 PolarHBondContact O-OG1 3.32Å; C135-T201 CarbonylContact C-O 3.59Å; C135-T201 WeakPolarHBondContact CA-O 3.22Å; C135-T201 WeakPolarHBondContact CB-O 3.06Å; F136-T201 PolarHBondContact N-O 2.95Å; N155-T201 HydrophobicContact CB-CG2 4.1Å; T201-S231 WeakPolarHBondContact CG2-OG 3.42Å
202	P	78.4	Confident	75.4	Confident	29 Å²	29	64.2 Å²	64.2	19%	0.188	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	144.7	163.6	-20.3	33.4	0	0	0	109.6	E207 F211	P202-E207 HydrophobicContact CB-CG 4.3Å; P202-F211 HydrophobicContact CB-CD1 4.08Å; P202-F211 HydrophobicContact CB-CE1 3.99Å; P202-F211 HydrophobicContact CG-CD1 3.62Å; P202-F211 HydrophobicContact CG-CE1 3.61Å
203	C	78.1	Confident	73.5	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.014	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-69.1	137.9	174.9	-70.8	0	0	0	0	110.7	C135 F136 G205 E206	C135-C203 HydrophobicContact CB-CB 3.87Å; C135-C203 WeakPolarHBondContact CB-SG 3.45Å; C135-C203 WeakPolarHBondContact SG-CA 3.48Å; C135-C203 WeakPolarHBondContact SG-CB 3.49Å; C135-C203 CovalentContact SG-SG 2.05Å; C135-C203 PolarHBondContact SG-SG 2.88Å; F136-C203 PolarHBondContact O-N 3.26Å; C203-G205 PolarHBondContact O-N 2.73Å; C203-E206 PolarHBondContact O-N 3.22Å; C203-E206 VanDerWaalsContact O-N 3.12Å
204	P	74	Confident	71.6	Confident	17 Å²	17	67 Å²	67	11%	0.11	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	129.5	178.2	-23.9	32.4	0	0	0	111.4	H267 A268 D273	P204-H267 WeakPolarHBondContact CG-O 3.03Å; P204-A268 HydrophobicContact CG-CB 4.42Å; P204-D273 HydrophobicContact CB-CB 4.22Å; P204-D273 VanDerWaalsContact CB-O 3.29Å; P204-D273 WeakPolarHBondContact CB-O 3.39Å; P204-D273 HydrophobicContact CG-CB 4.4Å
205	G	66.8	Low	70	Confident	72 Å²	72	65.1 Å²	65.1	74%	0.742	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	-10.3	-180	0	0	0	0	0	115.5	C203	C203-G205 PolarHBondContact O-N 2.73Å
206	E	66.1	Low	68.7	Low	60 Å²	60	69.7 Å²	69.7	28%	0.28	38%	0.382	S	S	.	.			trans	-99.2	4.1	173.4	-64.6	-166.3	157.3	0	0	113.5	S137 S139 C203 G208	S137-E206 WeakPolarHBondContact CA-OE2 3.46Å; S137-E206 WeakPolarHBondContact CB-OE2 3.11Å; S137-E206 PolarHBondContact OG-OE1 2.88Å; S137-E206 PolarHBondContact OG-OE2 2.72Å; S139-E206 PolarHBondContact OG-OE1 2.82Å; C203-E206 PolarHBondContact O-N 3.22Å; C203-E206 VanDerWaalsContact O-N 3.12Å; E206-G208 PolarHBondContact O-N 3.4Å
207	E	60.2	Low	68.1	Low	73 Å²	73	73 Å²	73	34%	0.341	40%	0.397	S	S	.	.			trans	-67.7	82.3	168.2	-63.2	167.3	-137.2	0	0	108.3	P202 F211 K233	P202-E207 HydrophobicContact CB-CG 4.3Å; E207-F211 HydrophobicContact CB-CB 4.44Å; E207-K233 VanDerWaalsContact CD-CE 3.43Å; E207-K233 WeakPolarHBondContact OE1-CE 3.49Å; E207-K233 IonicContact OE1-NZ 3.45Å; E207-K233 PolarHBondContact OE1-NZ 2.79Å; E207-K233 WeakPolarHBondContact OE2-CE 3.06Å; E207-K233 IonicContact OE2-NZ 2.7Å; E207-K233 PolarHBondContact OE2-NZ 3.16Å
208	G	53.5	Low	67.8	Low	45 Å²	45	70.4 Å²	70.4	46%	0.464	39%	0.39	S	S	.	.			trans	-58.9	161.9	162.2	0	0	0	0	0	109.8	E206 E210 F211	E206-G208 PolarHBondContact O-N 3.4Å; G208-E210 PolarHBondContact O-N 2.05Å; G208-F211 PolarHBondContact O-N 2.85Å
209	D	51	Low	67.7	Low	180 Å²	180	72.8 Å²	72.8	96%	0.963	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-17	178.9	-63.3	-38.6	0	0	0	113.4
210	E	51.1	Low	67.7	Low	174 Å²	174	74.3 Å²	74.3	81%	0.813	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-7	178.2	-66.1	-169.6	155	0	0	115.5	G208 F212	G208-E210 PolarHBondContact O-N 2.05Å; E210-F212 VanDerWaalsContact C-N 3.29Å; E210-F212 WeakPolarHBondContact O-CD2 3.5Å; E210-F212 PolarHBondContact O-N 2.92Å
211	F	51.8	Low	68	Low	64 Å²	64	74.2 Å²	74.2	28%	0.281	43%	0.428	S	S	.	.			trans	-74.6	87.1	174.6	-108.4	-90.3	0	0	0	109.6	M185 P202 E207 G208 F213 A214	M185-F211 HydrophobicContact SD-CE1 4.36Å; M185-F211 HydrophobicContact SD-CZ 4.39Å; P202-F211 HydrophobicContact CB-CD1 4.08Å; P202-F211 HydrophobicContact CB-CE1 3.99Å; P202-F211 HydrophobicContact CG-CD1 3.62Å; P202-F211 HydrophobicContact CG-CE1 3.61Å; E207-F211 HydrophobicContact CB-CB 4.44Å; G208-F211 PolarHBondContact O-N 2.85Å; F211-F213 AromaticContact CD1-CD2 3.97Å; F211-F213 HydrophobicContact CD1-CD2 3.97Å; F211-F213 HydrophobicContact CE1-CD2 4.26Å; F211-F213 PolarHBondContact O-N 2.97Å; F211-A214 PolarHBondContact O-N 3.27Å
212	F	48.9	Very low	68.3	Low	192 Å²	192	76.5 Å²	76.5	84%	0.842	44%	0.442	S	S	*	.			trans	-55.8	-3.4	177	-95.4	-92.1	0	0	0	115.1	E210	E210-F212 VanDerWaalsContact C-N 3.29Å; E210-F212 WeakPolarHBondContact O-CD2 3.5Å; E210-F212 PolarHBondContact O-N 2.92Å
213	F	47	Very low	68.7	Low	97 Å²	97	82.8 Å²	82.8	43%	0.425	47%	0.469	S	S	.	.			trans	-97.7	37	178.3	-54.8	-76.5	0	0	0	112.8	F211 S215	F211-F213 AromaticContact CD1-CD2 3.97Å; F211-F213 HydrophobicContact CD1-CD2 3.97Å; F211-F213 HydrophobicContact CE1-CD2 4.26Å; F211-F213 PolarHBondContact O-N 2.97Å; F213-S215 PolarHBondContact O-N 3.47Å
214	A	50.8	Low	68.8	Low	78 Å²	78	92 Å²	92	65%	0.645	51%	0.509	S	S	*	.			trans	-57.5	92.9	159	0	0	0	0	0	106.5	F211 E216	F211-A214 PolarHBondContact O-N 3.27Å; A214-E216 PolarHBondContact O-N 2.75Å
215	S	57.7	Low	69.4	Low	58 Å²	58	93.7 Å²	93.7	41%	0.406	52%	0.517	S	S	.	.			trans	-55.1	114	-177.3	56.7	0	0	0	0	105.9	F213 E217	F213-S215 PolarHBondContact O-N 3.47Å; S215-E217 PolarHBondContact O-N 3.46Å
216	E	66.2	Low	70.4	Confident	187 Å²	187	92.1 Å²	92.1	87%	0.874	49%	0.489	S	S	*	.			trans	-43.8	120.6	176.5	-73.8	-175.5	167.4	0	0	108.1	A214 P218	A214-E216 PolarHBondContact O-N 2.75Å; E216-P218 WeakPolarHBondContact O-CD 3.19Å
217	E	80.5	Confident	71.6	Confident	100 Å²	100	89.5 Å²	89.5	47%	0.467	48%	0.477	S	S	.	.			trans	-65.6	123.7	-174.9	-168.7	179.5	149	0	0	107.8	S215 G219 R234 F301	S215-E217 PolarHBondContact O-N 3.46Å; E217-G219 PolarHBondContact O-N 3.2Å; E217-R234 WeakPolarHBondContact OE1-CD 3.33Å; E217-R234 WeakPolarHBondContact OE1-CG 3.09Å; E217-R234 IonicContact OE1-CZ 3.62Å; E217-R234 IonicContact OE1-NE 2.71Å; E217-R234 IonicContact OE1-NH1 2.66Å; E217-R234 PolarHBondContact OE1-NH1 3.46Å; E217-F301 HydrophobicContact CG-CE1 3.95Å; E217-F301 HydrophobicContact CG-CZ 4.25Å
218	P	87.5	Confident	72.9	Confident	25 Å²	25	87.2 Å²	87.2	16%	0.162	47%	0.471	C	S	.	.			trans	-64.6	124.1	-176	24.4	-31.6	0	0	0	109.4	E216 C220 L227 Y230 F301	E216-P218 WeakPolarHBondContact O-CD 3.19Å; P218-C220 PolarHBondContact O-N 3.24Å; P218-L227 HydrophobicContact CB-CD1 3.9Å; P218-L227 HydrophobicContact CG-CD1 3.75Å; P218-Y230 HydrophobicContact CG-CD2 4.05Å; P218-Y230 HydrophobicContact CG-CE2 4.16Å; P218-F301 HydrophobicContact CG-CD1 4.33Å; P218-F301 HydrophobicContact CG-CE1 3.93Å; P218-F301 HydrophobicContact CG-CZ 4.22Å; P218-F301 WeakPolarHBondContact O-CD1 3.28Å; P218-F301 WeakPolarHBondContact O-CE1 3.47Å
219	G	89	Confident	74.5	Confident	70 Å²	70	87.7 Å²	87.7	72%	0.722	46%	0.458	S	S	*	.	S	Bend	trans	-65.8	-27	177.6	0	0	0	0	0	113.5	E217	E217-G219 PolarHBondContact O-N 3.2Å
220	C	93	Very high	76.3	Confident	31 Å²	31	79.2 Å²	79.2	21%	0.209	41%	0.413	C	S	.	.	S	Bend	trans	-155.6	162	178.1	61.6	0	0	0	0	111.2	P218 P222 P302 C304 T307	P218-C220 PolarHBondContact O-N 3.24Å; C220-P222 WeakPolarHBondContact O-CD 3.47Å; C220-P302 CarbonylContact C-O 3.52Å; C220-P302 VanDerWaalsContact CA-O 3.26Å; C220-P302 WeakPolarHBondContact CA-O 3.42Å; C220-P302 HydrophobicContact CB-CG 4.15Å; C220-P302 WeakPolarHBondContact CB-O 3.47Å; C220-C304 HydrophobicContact CB-CB 3.94Å; C220-C304 WeakPolarHBondContact CB-SG 3.48Å; C220-C304 WeakPolarHBondContact SG-CA 3.41Å; C220-C304 WeakPolarHBondContact SG-CB 3.48Å; C220-C304 CovalentContact SG-SG 2.03Å; C220-C304 PolarHBondContact SG-SG 3.16Å; C220-T307 HydrophobicContact CB-CG2 4.46Å
221	V	93.4	Very high	78.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-84.9	113.9	176.8	-171.9	0	0	0	0	109.6	D225 L227 F301 P302 R303 C304	V221-D225 WeakPolarHBondContact CG1-O 3.09Å; V221-L227 HydrophobicContact CB-CD1 4.36Å; V221-L227 HydrophobicContact CG1-CD1 4.3Å; V221-L227 HydrophobicContact CG1-CG 4.28Å; V221-L227 HydrophobicContact CG2-CD1 4.11Å; V221-F301 HydrophobicContact CG2-CB 3.44Å; V221-F301 VanDerWaalsContact CG2-CB 3.44Å; V221-F301 HydrophobicContact CG2-CG 4.41Å; V221-P302 PolarHBondContact N-O 3.02Å; V221-R303 PolarHBondContact O-NH1 3.49Å; V221-C304 PolarHBondContact O-N 3.03Å; V221-C304 VanDerWaalsContact O-N 3.15Å; V221-C304 PolarHBondContact O-SG 3.32Å
222	P	90.3	Very high	79.8	Confident	52 Å²	52	69.7 Å²	69.7	34%	0.338	38%	0.375	S	S	.	.			trans	-63.1	153.2	178.4	-20.8	33.8	0	0	0	112.1	C220 K224 D225 R303	C220-P222 WeakPolarHBondContact O-CD 3.47Å; P222-K224 VanDerWaalsContact C-N 3.29Å; P222-K224 PolarHBondContact O-N 2.79Å; P222-D225 HydrophobicContact CB-CB 4.21Å; P222-D225 HydrophobicContact CG-CB 4.27Å; P222-D225 PolarHBondContact O-N 2.71Å; P222-R303 PolarHBondContact O-NH1 3.35Å
223	E	85.3	Confident	81.8	Confident	162 Å²	162	64.9 Å²	64.9	76%	0.757	35%	0.354	S	S	*	.	S	Bend	trans	-61.6	-38.8	-177.9	-169.3	173	-169.2	0	0	112.7
224	K	81.7	Confident	84	Confident	196 Å²	196	63.2 Å²	63.2	85%	0.852	35%	0.345	S	S	*	.	S	Bend	trans	-89.6	-13.7	-177.1	-64.4	-176.4	-179.1	175.9	0	114.6	P222	P222-K224 VanDerWaalsContact C-N 3.29Å; P222-K224 PolarHBondContact O-N 2.79Å
225	D	84.7	Confident	86.1	Confident	52 Å²	52	61.4 Å²	61.4	28%	0.278	33%	0.327	S	S	.	.			trans	-121	116	-179.6	-168.7	-11.8	0	0	0	109.5	V221 P222 L227 W229	V221-D225 WeakPolarHBondContact CG1-O 3.09Å; P222-D225 HydrophobicContact CB-CB 4.21Å; P222-D225 HydrophobicContact CG-CB 4.27Å; P222-D225 PolarHBondContact O-N 2.71Å; D225-L227 HydrophobicContact CB-CD2 4.5Å; D225-L227 PolarHBondContact O-N 2.85Å; D225-L227 WeakPolarHBondContact OD1-CA 3.49Å; D225-L227 PolarHBondContact OD1-N 3.49Å; D225-W229 PolarHBondContact OD1-NE1 2.71Å; D225-W229 PolarHBondContact OD2-NE1 2.66Å
226	R	89.3	Confident	87.9	Confident	39 Å²	39	62.2 Å²	62.2	15%	0.147	33%	0.326	C	S	.	.			trans	-79.8	1.5	178.8	-56.1	-173.2	-172.6	175.4	7.5	112.2	D35 A39 A228 N280 Y283 G287	D35-R226 PolarHBondContact O-NH2 3.48Å; A39-R226 VanDerWaalsContact CB-NE 3.3Å; R226-A228 PolarHBondContact O-N 3.45Å; R226-N280 PolarHBondContact O-ND2 2.82Å; R226-Y283 VanDerWaalsContact CD-O 3.29Å; R226-Y283 WeakPolarHBondContact CD-O 3.08Å; R226-Y283 PolarHBondContact NH1-O 2.88Å; R226-G287 WeakPolarHBondContact O-CA 3.13Å
227	L	90.1	Very high	89.4	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	29%	0.285	C	S	.	.			trans	49.8	42.3	-176	-55	178.3	0	0	0	111.4	P218 V221 D225 W229 Y230 P288	P218-L227 HydrophobicContact CB-CD1 3.9Å; P218-L227 HydrophobicContact CG-CD1 3.75Å; V221-L227 HydrophobicContact CB-CD1 4.36Å; V221-L227 HydrophobicContact CG1-CD1 4.3Å; V221-L227 HydrophobicContact CG1-CG 4.28Å; V221-L227 HydrophobicContact CG2-CD1 4.11Å; D225-L227 HydrophobicContact CB-CD2 4.5Å; D225-L227 PolarHBondContact O-N 2.85Å; D225-L227 WeakPolarHBondContact OD1-CA 3.49Å; D225-L227 PolarHBondContact OD1-N 3.49Å; L227-W229 HydrophobicContact CD2-CH2 4.02Å; L227-W229 HydrophobicContact CD2-CZ2 3.37Å; L227-W229 PolarHBondContact O-N 2.92Å; L227-Y230 VanDerWaalsContact O-CB 3.22Å; L227-Y230 WeakPolarHBondContact O-CB 3.14Å; L227-Y230 PolarHBondContact O-N 3.42Å; L227-Y230 VanDerWaalsContact O-N 3.09Å; L227-P288 HydrophobicContact CB-CG 3.89Å; L227-P288 HydrophobicContact CD1-CG 4.49Å
228	A	88.1	Confident	90.1	Very high	26 Å²	26	52.1 Å²	52.1	22%	0.215	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.5	177.3	0	0	0	0	0	112.5	R226 Y230 Y283	R226-A228 PolarHBondContact O-N 3.45Å; A228-Y230 VanDerWaalsContact C-N 3.34Å; A228-Y283 HydrophobicContact CB-CD1 3.38Å; A228-Y283 HydrophobicContact CB-CE1 3.52Å; A228-Y283 HydrophobicContact CB-CG 4.37Å
229	W	86.4	Confident	90.5	Very high	55 Å²	55	56.3 Å²	56.3	21%	0.208	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.1	177.9	56.3	-99.1	0	0	0	113.9	R156 D225 L227 S231 H267	R156-W229 HydrophobicContact CB-CB 4.3Å; R156-W229 HydrophobicContact CB-CG 4.29Å; R156-W229 HydrophobicContact CG-CB 4.12Å; R156-W229 HydrophobicContact CG-CD2 4.14Å; R156-W229 HydrophobicContact CG-CG 3.85Å; D225-W229 PolarHBondContact OD1-NE1 2.71Å; D225-W229 PolarHBondContact OD2-NE1 2.66Å; L227-W229 HydrophobicContact CD2-CH2 4.02Å; L227-W229 HydrophobicContact CD2-CZ2 3.37Å; L227-W229 PolarHBondContact O-N 2.92Å; W229-S231 PolarHBondContact O-N 2.84Å; W229-S231 VanDerWaalsContact O-N 3.16Å; W229-S231 PolarHBondContact O-OG 2.7Å; W229-H267 PolarHBondContact O-NE2 3.32Å
230	Y	90.3	Very high	90.8	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.008	30%	0.301	C	S	.	.			trans	-61.5	119.8	-176.7	174.9	-100.5	0	0	0	111.1	P218 L227 A228 G232 R234 H267 C278 R279 P288 F301	P218-Y230 HydrophobicContact CG-CD2 4.05Å; P218-Y230 HydrophobicContact CG-CE2 4.16Å; L227-Y230 VanDerWaalsContact O-CB 3.22Å; L227-Y230 WeakPolarHBondContact O-CB 3.14Å; L227-Y230 PolarHBondContact O-N 3.42Å; L227-Y230 VanDerWaalsContact O-N 3.09Å; A228-Y230 VanDerWaalsContact C-N 3.34Å; Y230-G232 VanDerWaalsContact OH-C 3.27Å; Y230-G232 WeakPolarHBondContact OH-CA 3.49Å; Y230-R234 WeakPolarHBondContact OH-CB 3.26Å; Y230-R234 PolarHBondContact OH-N 3.06Å; Y230-R234 VanDerWaalsContact OH-N 3.16Å; Y230-H267 PolarHBondContact O-CD2 3.48Å; Y230-C278 WeakPolarHBondContact CD1-O 3.29Å; Y230-C278 HydrophobicContact CE1-CB 4.11Å; Y230-C278 WeakPolarHBondContact CE1-O 3.42Å; Y230-R279 WeakPolarHBondContact O-CD 3.27Å; Y230-P288 HydrophobicContact CD1-CB 3.92Å; Y230-P288 HydrophobicContact CD1-CG 3.96Å; Y230-P288 HydrophobicContact CG-CB 4.4Å; Y230-P288 HydrophobicContact CG-CG 3.92Å; Y230-F301 HydrophobicContact CD1-CE2 4.21Å; Y230-F301 HydrophobicContact CD2-CE2 4.44Å; Y230-F301 HydrophobicContact CD2-CZ 4.32Å; Y230-F301 AromaticContact CE1-CE2 3.86Å; Y230-F301 HydrophobicContact CE1-CE2 3.86Å; Y230-F301 HydrophobicContact CE1-CZ 4.05Å; Y230-F301 HydrophobicContact CE2-CE2 4.1Å; Y230-F301 AromaticContact CE2-CZ 3.65Å; Y230-F301 HydrophobicContact CE2-CZ 3.65Å; Y230-F301 HydrophobicContact CG-CE2 4.49Å; Y230-F301 AromaticContact CZ-CE2 3.8Å; Y230-F301 AromaticContact CZ-CZ 3.5Å
231	S	87.4	Confident	91	Very high	27 Å²	27	60.5 Å²	60.5	19%	0.189	31%	0.306	C	S	.	.			trans	-121.9	4.7	-174.8	38.1	0	0	0	0	113.2	T201 W229 R279	T201-S231 WeakPolarHBondContact CG2-OG 3.42Å; W229-S231 PolarHBondContact O-N 2.84Å; W229-S231 VanDerWaalsContact O-N 3.16Å; W229-S231 PolarHBondContact O-OG 2.7Å; S231-R279 PolarHBondContact O-NH2 3.12Å; S231-R279 VanDerWaalsContact O-NH2 3.17Å
232	G	88.9	Confident	91.2	Very high	11 Å²	11	63.8 Å²	63.8	11%	0.113	33%	0.327	C	S	.	.			trans	-69.1	177.5	-178.1	0	0	0	0	0	114.7	Y230 R279	Y230-G232 VanDerWaalsContact OH-C 3.27Å; Y230-G232 WeakPolarHBondContact OH-CA 3.49Å; G232-R279 PolarHBondContact O-NH1 3.19Å
233	K	90.2	Very high	91.6	Very high	91 Å²	91	61.5 Å²	61.5	40%	0.396	31%	0.312	S	S	.	.			trans	-98.4	7.9	-170	-62.5	-178.4	-172.5	164	0	115.6	E207 S235 Y277	E207-K233 VanDerWaalsContact CD-CE 3.43Å; E207-K233 WeakPolarHBondContact OE1-CE 3.49Å; E207-K233 IonicContact OE1-NZ 3.45Å; E207-K233 PolarHBondContact OE1-NZ 2.79Å; E207-K233 WeakPolarHBondContact OE2-CE 3.06Å; E207-K233 IonicContact OE2-NZ 2.7Å; E207-K233 PolarHBondContact OE2-NZ 3.16Å; K233-S235 PolarHBondContact O-N 2.91Å; K233-Y277 VanDerWaalsContact C-CD1 3.47Å; K233-Y277 VanDerWaalsContact CA-CD1 3.49Å; K233-Y277 HydrophobicContact CB-CD1 4.02Å; K233-Y277 HydrophobicContact CB-CE1 3.66Å; K233-Y277 HydrophobicContact CG-CE1 4.03Å; K233-Y277 HydrophobicContact CG-CE2 4.22Å; K233-Y277 WeakPolarHBondContact O-CD1 3.46Å; K233-Y277 WeakPolarHBondContact O-CE1 3.38Å
234	R	92.5	Very high	92.1	Very high	62 Å²	62	55.2 Å²	55.2	23%	0.234	28%	0.283	C	S	.	.			trans	-55.6	126.8	175.9	-167.6	-177.9	-171.5	110.6	-6.2	111	E217 Y230 I236 Y277 C278 C300 F301	E217-R234 WeakPolarHBondContact OE1-CD 3.33Å; E217-R234 WeakPolarHBondContact OE1-CG 3.09Å; E217-R234 IonicContact OE1-CZ 3.62Å; E217-R234 IonicContact OE1-NE 2.71Å; E217-R234 IonicContact OE1-NH1 2.66Å; E217-R234 PolarHBondContact OE1-NH1 3.46Å; Y230-R234 WeakPolarHBondContact OH-CB 3.26Å; Y230-R234 PolarHBondContact OH-N 3.06Å; Y230-R234 VanDerWaalsContact OH-N 3.16Å; R234-I236 HydrophobicContact CG-CG1 4.41Å; R234-I236 PolarHBondContact NE-O 3.05Å; R234-Y277 CarbonylContact O-C 3.54Å; R234-Y277 WeakPolarHBondContact O-CA 3.31Å; R234-C278 PolarHBondContact O-N 3.11Å; R234-C278 PolarHBondContact O-SG 3.1Å; R234-C300 VanDerWaalsContact CZ-O 3.23Å; R234-C300 PolarHBondContact NE-O 2.77Å; R234-C300 PolarHBondContact NH2-O 3.12Å; R234-F301 HydrophobicContact CB-CZ 4.08Å; R234-F301 HydrophobicContact CG-CZ 4.37Å
235	S	95.3	Very high	92.8	Very high	39 Å²	39	51.5 Å²	51.5	27%	0.273	26%	0.264	S	S	.	.			trans	-129.7	17.6	-175.5	56.3	0	0	0	0	113.5	K233 C243 N276	K233-S235 PolarHBondContact O-N 2.91Å; S235-C243 VanDerWaalsContact O-CB 3.29Å; S235-C243 WeakPolarHBondContact O-CB 3.13Å; S235-C243 PolarHBondContact O-N 3.32Å; S235-C243 PolarHBondContact O-SG 3.28Å; S235-N276 VanDerWaalsContact CB-OD1 3.22Å; S235-N276 WeakPolarHBondContact CB-OD1 3.06Å
236	I	96	Very high	93.2	Very high	76 Å²	76	49 Å²	49	39%	0.39	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-127.9	144	177.3	61.6	170.6	0	0	0	110.8	R234	R234-I236 HydrophobicContact CG-CG1 4.41Å; R234-I236 PolarHBondContact NE-O 3.05Å
237	T	96.9	Very high	93.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.			trans	-81.3	170.8	178.9	76.3	0	0	0	0	111.4	N239 N240 N241 C290 T292 E298	T237-N239 PolarHBondContact O-N 3.45Å; T237-N239 PolarHBondContact OG1-N 3.35Å; T237-N240 PolarHBondContact O-N 3.4Å; T237-N241 HydrophobicContact CG2-CB 4.3Å; T237-N241 WeakPolarHBondContact CG2-O 3.36Å; T237-N241 PolarHBondContact N-O 3.17Å; T237-N241 PolarHBondContact OG1-N 3.12Å; T237-N241 VanDerWaalsContact OG1-N 3.15Å; T237-C290 VanDerWaalsContact CG2-SG 3.6Å; T237-T292 HydrophobicContact CG2-CG2 4.17Å; T237-E298 WeakPolarHBondContact CB-OE2 3.46Å; T237-E298 HydrophobicContact CG2-CB 3.42Å; T237-E298 VanDerWaalsContact CG2-CB 3.42Å; T237-E298 HydrophobicContact CG2-CG 4.38Å; T237-E298 PolarHBondContact OG1-OE2 3.17Å
238	L	95.6	Very high	93.6	Very high	75 Å²	75	51 Å²	51	39%	0.393	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.5	169.9	-78.2	177.9	0	0	0	113.6	N240 Y299 P302	L238-N240 PolarHBondContact O-N 3.46Å; L238-Y299 PolarHBondContact N-O 2.91Å; L238-P302 HydrophobicContact CD1-CB 4.4Å; L238-P302 HydrophobicContact CD2-CB 4.13Å; L238-P302 HydrophobicContact CD2-CG 4.26Å
239	N	95.3	Very high	93.9	Very high	113 Å²	113	49.8 Å²	49.8	60%	0.604	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	12.5	178.7	-59.9	-34.9	0	0	0	112.3	T237 N241 E298	T237-N239 PolarHBondContact O-N 3.45Å; T237-N239 PolarHBondContact OG1-N 3.35Å; N239-N241 PolarHBondContact O-N 3.45Å; N239-E298 PolarHBondContact ND2-OE2 3.36Å
240	N	96	Very high	94.1	Very high	132 Å²	132	49.7 Å²	49.7	71%	0.706	26%	0.264	S	S	*	.	S	Bend	trans	59.6	22.7	-174.8	-59.6	-43.1	0	0	0	114.4	T237 L238	T237-N240 PolarHBondContact O-N 3.4Å; L238-N240 PolarHBondContact O-N 3.46Å
241	N	97.8	Very high	94.2	Very high	57 Å²	57	57.1 Å²	57.1	31%	0.305	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-82.4	136.4	173	-68.1	-40.3	0	0	0	109.6	T237 N239 T292 E298	T237-N241 HydrophobicContact CG2-CB 4.3Å; T237-N241 WeakPolarHBondContact CG2-O 3.36Å; T237-N241 PolarHBondContact N-O 3.17Å; T237-N241 PolarHBondContact OG1-N 3.12Å; T237-N241 VanDerWaalsContact OG1-N 3.15Å; N239-N241 PolarHBondContact O-N 3.45Å; N241-T292 HydrophobicContact CB-CG2 3.91Å; N241-E298 PolarHBondContact ND2-OE1 3.35Å; N241-E298 PolarHBondContact ND2-OE2 2.84Å
242	P	97.3	Very high	94.4	Very high	68 Å²	68	58.4 Å²	58.4	44%	0.442	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-69	136.9	174.6	28.2	-33.5	0	0	0	110.6	V293	P242-V293 HydrophobicContact CG-CG1 4.49Å
243	C	97.8	Very high	94.3	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.027	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-70.5	145.4	170.8	-62.9	0	0	0	0	110.9	S235 N276 C278 C290	S235-C243 VanDerWaalsContact O-CB 3.29Å; S235-C243 WeakPolarHBondContact O-CB 3.13Å; S235-C243 PolarHBondContact O-N 3.32Å; S235-C243 PolarHBondContact O-SG 3.28Å; C243-N276 HydrophobicContact CB-CB 3.96Å; C243-N276 WeakPolarHBondContact CB-O 3.5Å; C243-N276 WeakPolarHBondContact O-CB 3.37Å; C243-N276 PolarHBondContact O-ND2 3.29Å; C243-C278 VanDerWaalsContact SG-SG 3.69Å; C243-C290 VanDerWaalsContact CA-SG 3.56Å; C243-C290 HydrophobicContact CB-CB 3.59Å; C243-C290 WeakPolarHBondContact CB-SG 3.13Å; C243-C290 WeakPolarHBondContact SG-CB 3.14Å; C243-C290 CovalentContact SG-SG 2.02Å; C243-C290 PolarHBondContact SG-SG 3.25Å
244	E	96.8	Very high	94.1	Very high	30 Å²	30	58.7 Å²	58.7	14%	0.14	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-82.7	149.7	170.6	-177.9	68.3	-79.7	0	0	110.8	V248 I249 N276 M291 K295	E244-V248 HydrophobicContact CG-CB 4.18Å; E244-V248 HydrophobicContact CG-CG1 4.12Å; E244-I249 HydrophobicContact CB-CD1 4Å; E244-I249 HydrophobicContact CB-CG1 4.15Å; E244-I249 HydrophobicContact CG-CD1 3.65Å; E244-I249 HydrophobicContact CG-CG1 3.8Å; E244-N276 VanDerWaalsContact C-CB 3.49Å; E244-N276 WeakPolarHBondContact O-CB 3.11Å; E244-M291 WeakPolarHBondContact CB-O 3.41Å; E244-M291 PolarHBondContact N-O 3.16Å; E244-K295 IonicContact OE2-NZ 2.73Å; E244-K295 PolarHBondContact OE2-NZ 3.29Å
245	Y	95.8	Very high	93.8	Very high	118 Å²	118	60.1 Å²	60.1	46%	0.463	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-66	137.6	175.9	-73.3	-99.7	0	0	0	112.3	D247 V248 I249 A275 N276	Y245-D247 VanDerWaalsContact C-N 3.29Å; Y245-D247 WeakPolarHBondContact CB-OD1 3.42Å; Y245-D247 PolarHBondContact O-N 2.79Å; Y245-V248 WeakPolarHBondContact O-CB 3.35Å; Y245-V248 PolarHBondContact O-N 3.46Å; Y245-V248 VanDerWaalsContact O-N 3.16Å; Y245-I249 WeakPolarHBondContact O-CG1 2.98Å; Y245-I249 PolarHBondContact O-N 3.19Å; Y245-A275 WeakPolarHBondContact CA-O 3.31Å; Y245-A275 HydrophobicContact CD1-CB 4.38Å; Y245-A275 HydrophobicContact CE1-CB 4.16Å; Y245-N276 HydrophobicContact CD1-CB 4.38Å; Y245-N276 HydrophobicContact CD2-CB 4.22Å; Y245-N276 HydrophobicContact CE2-CB 4.49Å; Y245-N276 HydrophobicContact CG-CB 4.15Å
246	W	94.1	Very high	93.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-66.2	-30.2	-176.8	-69.6	114.4	0	0	0	113.3	I249 S250 M257 L261 L266 M271 A274 A275 Y277 R279 L281 W289 C290 M291	W246-I249 HydrophobicContact CE3-CB 4.34Å; W246-I249 HydrophobicContact CE3-CG1 4.46Å; W246-I249 HydrophobicContact CE3-CG2 4.34Å; W246-I249 PolarHBondContact O-N 2.96Å; W246-S250 WeakPolarHBondContact O-CB 2.98Å; W246-S250 PolarHBondContact O-N 3.43Å; W246-M257 HydrophobicContact CE3-CE 4.23Å; W246-M257 HydrophobicContact CZ3-CE 3.58Å; W246-L261 HydrophobicContact CD2-CD2 4.49Å; W246-L261 HydrophobicContact CE3-CD2 3.75Å; W246-L261 HydrophobicContact CZ3-CD2 4.28Å; W246-L266 HydrophobicContact CB-CD1 4.5Å; W246-L266 HydrophobicContact CB-CD2 4.08Å; W246-L266 HydrophobicContact CD2-CD2 3.62Å; W246-L266 HydrophobicContact CE3-CD2 4.33Å; W246-L266 HydrophobicContact CG-CD2 3.49Å; W246-L266 VanDerWaalsContact CG-CD2 3.49Å; W246-M271 HydrophobicContact CB-SD 4.2Å; W246-A274 HydrophobicContact CB-CB 4.19Å; W246-A274 HydrophobicContact CG-CB 4.33Å; W246-A275 PolarHBondContact N-O 3.23Å; W246-Y277 PolarHBondContact NE1-O 3.45Å; W246-R279 HydrophobicContact CZ2-CB 4.26Å; W246-L281 HydrophobicContact CE3-CD1 4.3Å; W246-L281 HydrophobicContact CH2-CD1 3.78Å; W246-L281 HydrophobicContact CZ2-CD1 4.34Å; W246-L281 HydrophobicContact CZ3-CD1 3.77Å; W246-W289 HydrophobicContact CH2-CE3 4.22Å; W246-W289 HydrophobicContact CH2-CH2 4.42Å; W246-W289 AromaticContact CH2-CZ3 3.89Å; W246-W289 HydrophobicContact CH2-CZ3 3.89Å; W246-W289 HydrophobicContact CZ3-CZ3 4.31Å; W246-C290 HydrophobicContact CZ2-CB 4.3Å; W246-M291 HydrophobicContact CZ3-CG 4.2Å
247	D	92.9	Very high	92.7	Very high	29 Å²	29	59 Å²	59	16%	0.155	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-38.9	174.2	80.1	-54.3	0	0	0	111.5	Y245 S250 K251 M271	Y245-D247 VanDerWaalsContact C-N 3.29Å; Y245-D247 WeakPolarHBondContact CB-OD1 3.42Å; Y245-D247 PolarHBondContact O-N 2.79Å; D247-S250 PolarHBondContact O-N 2.81Å; D247-K251 WeakPolarHBondContact O-CB 2.91Å; D247-K251 WeakPolarHBondContact O-CD 3.19Å; D247-K251 VanDerWaalsContact O-CG 3.24Å; D247-K251 WeakPolarHBondContact O-CG 3.5Å; D247-K251 PolarHBondContact O-N 3.27Å; D247-K251 IonicContact OD2-NZ 2.73Å; D247-K251 PolarHBondContact OD2-NZ 3.16Å; D247-M271 HydrophobicContact CB-CB 4.43Å; D247-M271 HydrophobicContact CB-CG 3.66Å
248	V	94.5	Very high	91.9	Very high	55 Å²	55	67.9 Å²	67.9	33%	0.333	39%	0.388	S	S	.	.	H	α-helix	trans	-64.7	-44.1	173	177.8	0	0	0	0	110.7	E244 Y245 S250 K251 A252	E244-V248 HydrophobicContact CG-CB 4.18Å; E244-V248 HydrophobicContact CG-CG1 4.12Å; Y245-V248 WeakPolarHBondContact O-CB 3.35Å; Y245-V248 PolarHBondContact O-N 3.46Å; Y245-V248 VanDerWaalsContact O-N 3.16Å; V248-S250 VanDerWaalsContact C-N 3.34Å; V248-S250 PolarHBondContact O-N 3.49Å; V248-K251 PolarHBondContact O-N 2.92Å; V248-A252 WeakPolarHBondContact O-CB 3.33Å; V248-A252 PolarHBondContact O-N 2.81Å
249	I	93.7	Very high	91.1	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-41.9	176	-65.2	-61.4	0	0	0	111.6	E244 Y245 W246 A252 L254 M257 L261 M291 K295	E244-I249 HydrophobicContact CB-CD1 4Å; E244-I249 HydrophobicContact CB-CG1 4.15Å; E244-I249 HydrophobicContact CG-CD1 3.65Å; E244-I249 HydrophobicContact CG-CG1 3.8Å; Y245-I249 WeakPolarHBondContact O-CG1 2.98Å; Y245-I249 PolarHBondContact O-N 3.19Å; W246-I249 HydrophobicContact CE3-CB 4.34Å; W246-I249 HydrophobicContact CE3-CG1 4.46Å; W246-I249 HydrophobicContact CE3-CG2 4.34Å; W246-I249 PolarHBondContact O-N 2.96Å; I249-A252 PolarHBondContact O-N 2.75Å; I249-L254 HydrophobicContact CD1-CD1 4.4Å; I249-L254 HydrophobicContact CG2-CD1 4.4Å; I249-M257 HydrophobicContact CG2-CB 4.45Å; I249-M257 HydrophobicContact CG2-CE 4.1Å; I249-M257 HydrophobicContact CG2-CG 3.75Å; I249-M257 HydrophobicContact CG2-SD 4.41Å; I249-L261 HydrophobicContact CG2-CD1 4.46Å; I249-M291 HydrophobicContact CD1-CB 3.49Å; I249-M291 VanDerWaalsContact CD1-CB 3.49Å; I249-M291 HydrophobicContact CD1-CG 3.97Å; I249-M291 HydrophobicContact CG1-CB 3.89Å; I249-M291 HydrophobicContact CG1-CG 4.21Å; I249-M291 HydrophobicContact CG2-CG 4.23Å; I249-K295 HydrophobicContact CD1-CD 3.67Å
250	S	91.4	Very high	90.5	Very high	53 Å²	53	63.6 Å²	63.6	37%	0.371	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-47.8	176.3	-171.2	0	0	0	0	111.2	W246 D247 V248 A252 G253	W246-S250 WeakPolarHBondContact O-CB 2.98Å; W246-S250 PolarHBondContact O-N 3.43Å; D247-S250 PolarHBondContact O-N 2.81Å; V248-S250 VanDerWaalsContact C-N 3.34Å; V248-S250 PolarHBondContact O-N 3.49Å; S250-A252 VanDerWaalsContact C-N 3.31Å; S250-A252 PolarHBondContact O-N 3.34Å; S250-G253 PolarHBondContact O-N 2.01Å
251	K	92.4	Very high	90	Very high	158 Å²	158	59 Å²	59	69%	0.687	36%	0.356	S	S	*	.	H	α-helix	trans	-63.7	-33.4	178.6	-71.9	162.8	-173.4	160.9	0	112.8	D247 V248 G253	D247-K251 WeakPolarHBondContact O-CB 2.91Å; D247-K251 WeakPolarHBondContact O-CD 3.19Å; D247-K251 VanDerWaalsContact O-CG 3.24Å; D247-K251 WeakPolarHBondContact O-CG 3.5Å; D247-K251 PolarHBondContact O-N 3.27Å; D247-K251 IonicContact OD2-NZ 2.73Å; D247-K251 PolarHBondContact OD2-NZ 3.16Å; V248-K251 PolarHBondContact O-N 2.92Å; K251-G253 PolarHBondContact O-N 2.95Å
252	A	90.8	Very high	89.3	Confident	54 Å²	54	56.9 Å²	56.9	45%	0.446	35%	0.345	S	S	.	.	H	α-helix	trans	-67.5	-16.4	177.9	0	0	0	0	0	113.7	V248 I249 S250 L254	V248-A252 WeakPolarHBondContact O-CB 3.33Å; V248-A252 PolarHBondContact O-N 2.81Å; I249-A252 PolarHBondContact O-N 2.75Å; S250-A252 VanDerWaalsContact C-N 3.31Å; S250-A252 PolarHBondContact O-N 3.34Å; A252-L254 VanDerWaalsContact C-N 3.31Å; A252-L254 HydrophobicContact CB-CD2 4.49Å; A252-L254 HydrophobicContact CB-CG 4.29Å; A252-L254 PolarHBondContact O-N 2.85Å
253	G	87.2	Confident	88.6	Confident	62 Å²	62	56.8 Å²	56.8	64%	0.639	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	31.7	172.7	0	0	0	0	0	114.4	S250 K251 A255	S250-G253 PolarHBondContact O-N 2.01Å; K251-G253 PolarHBondContact O-N 2.95Å; G253-A255 PolarHBondContact O-N 2.74Å
254	L	86	Confident	88	Confident	47 Å²	47	57 Å²	57	25%	0.246	34%	0.341	C	S	.	.			trans	-59.8	127.4	-178.4	-60.6	179.8	0	0	0	111.1	I249 A252 S256 M257 K258 M291 K295	I249-L254 HydrophobicContact CD1-CD1 4.4Å; I249-L254 HydrophobicContact CG2-CD1 4.4Å; A252-L254 VanDerWaalsContact C-N 3.31Å; A252-L254 HydrophobicContact CB-CD2 4.49Å; A252-L254 HydrophobicContact CB-CG 4.29Å; A252-L254 PolarHBondContact O-N 2.85Å; L254-S256 PolarHBondContact O-N 2.82Å; L254-M257 HydrophobicContact CB-CB 4.24Å; L254-M257 HydrophobicContact CB-CG 3.96Å; L254-M257 HydrophobicContact CD1-CG 4.3Å; L254-M257 PolarHBondContact O-N 3.06Å; L254-K258 PolarHBondContact O-N 2.68Å; L254-M291 HydrophobicContact CD1-CE 4.11Å; L254-K295 HydrophobicContact CD1-CB 4.32Å; L254-K295 HydrophobicContact CD1-CD 4.5Å
255	A	86	Confident	87.5	Confident	92 Å²	92	57.5 Å²	57.5	76%	0.76	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-57.5	-34.7	-179.7	0	0	0	0	0	112.9	G253 M257 K258	G253-A255 PolarHBondContact O-N 2.74Å; A255-M257 PolarHBondContact O-N 3.26Å; A255-K258 WeakPolarHBondContact O-CB 3.17Å; A255-K258 PolarHBondContact O-N 3.21Å
256	S	83.6	Confident	87.2	Confident	83 Å²	83	51.9 Å²	51.9	58%	0.58	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-65.1	-23.8	176.3	53.5	0	0	0	0	113.8	L254 L260	L254-S256 PolarHBondContact O-N 2.82Å; S256-L260 WeakPolarHBondContact O-CD1 3.41Å
257	M	85.5	Confident	86.8	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.034	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-96.2	-9	-177.8	-63.4	-58.5	-58.3	0	0	113	W246 I249 L254 A255 G259 L260 L261 L281 W289 M291	W246-M257 HydrophobicContact CE3-CE 4.23Å; W246-M257 HydrophobicContact CZ3-CE 3.58Å; I249-M257 HydrophobicContact CG2-CB 4.45Å; I249-M257 HydrophobicContact CG2-CE 4.1Å; I249-M257 HydrophobicContact CG2-CG 3.75Å; I249-M257 HydrophobicContact CG2-SD 4.41Å; L254-M257 HydrophobicContact CB-CB 4.24Å; L254-M257 HydrophobicContact CB-CG 3.96Å; L254-M257 HydrophobicContact CD1-CG 4.3Å; L254-M257 PolarHBondContact O-N 3.06Å; A255-M257 PolarHBondContact O-N 3.26Å; M257-G259 PolarHBondContact O-N 2.9Å; M257-G259 VanDerWaalsContact O-N 3.16Å; M257-L260 PolarHBondContact O-N 3.15Å; M257-L261 HydrophobicContact CB-CD1 4.21Å; M257-L261 HydrophobicContact CB-CG 4.5Å; M257-L261 HydrophobicContact CE-CD1 4.29Å; M257-L261 HydrophobicContact CE-CD2 3.62Å; M257-L261 HydrophobicContact CE-CG 3.8Å; M257-L281 HydrophobicContact CE-CD1 3.75Å; M257-W289 HydrophobicContact CE-CH2 3.97Å; M257-W289 HydrophobicContact CE-CZ3 4.44Å; M257-W289 HydrophobicContact SD-CH2 3.71Å; M257-W289 HydrophobicContact SD-CZ3 4.11Å; M257-M291 HydrophobicContact SD-CG 4.18Å; M257-M291 HydrophobicContact SD-SD 4.22Å
258	K	80.1	Confident	86.4	Confident	188 Å²	188	50.9 Å²	50.9	82%	0.817	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	118.8	-177	-169.5	175.3	-178.9	177.3	0	110.4	L254 A255 L260	L254-K258 PolarHBondContact O-N 2.68Å; A255-K258 WeakPolarHBondContact O-CB 3.17Å; A255-K258 PolarHBondContact O-N 3.21Å; K258-L260 VanDerWaalsContact C-N 3.3Å; K258-L260 PolarHBondContact O-N 2.97Å
259	G	78.8	Confident	85.8	Confident	64 Å²	64	51 Å²	51	66%	0.66	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	3.5	-179.4	0	0	0	0	0	115.5	M257	M257-G259 PolarHBondContact O-N 2.9Å; M257-G259 VanDerWaalsContact O-N 3.16Å
260	L	81.4	Confident	85.3	Confident	34 Å²	34	55.9 Å²	55.9	18%	0.178	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-33.7	171.9	-66.1	-177.1	0	0	0	112.6	S256 M257 K258 S262 L281 D282	S256-L260 WeakPolarHBondContact O-CD1 3.41Å; M257-L260 PolarHBondContact O-N 3.15Å; K258-L260 VanDerWaalsContact C-N 3.3Å; K258-L260 PolarHBondContact O-N 2.97Å; L260-S262 PolarHBondContact O-N 3.45Å; L260-S262 VanDerWaalsContact O-N 3.11Å; L260-L281 HydrophobicContact CB-CB 4.24Å; L260-D282 HydrophobicContact CD1-CB 4.25Å; L260-D282 HydrophobicContact CD2-CB 3.87Å
261	L	85.3	Confident	85.1	Confident	35 Å²	35	55.2 Å²	55.2	18%	0.183	33%	0.326	C	S	.	.			trans	-76.1	97.4	-178.5	-66.2	169.6	0	0	0	110.1	W246 I249 M257 L266 L281	W246-L261 HydrophobicContact CD2-CD2 4.49Å; W246-L261 HydrophobicContact CE3-CD2 3.75Å; W246-L261 HydrophobicContact CZ3-CD2 4.28Å; I249-L261 HydrophobicContact CG2-CD1 4.46Å; M257-L261 HydrophobicContact CB-CD1 4.21Å; M257-L261 HydrophobicContact CB-CG 4.5Å; M257-L261 HydrophobicContact CE-CD1 4.29Å; M257-L261 HydrophobicContact CE-CD2 3.62Å; M257-L261 HydrophobicContact CE-CG 3.8Å; L261-L266 HydrophobicContact CD2-CD1 4.26Å; L261-L266 HydrophobicContact CD2-CD2 4.41Å; L261-L281 HydrophobicContact CD2-CD1 3.88Å
262	S	84.3	Confident	84.8	Confident	12 Å²	12	53 Å²	53	8%	0.084	32%	0.318	C	S	.	.			trans	-124.6	148.4	163.5	72.6	0	0	0	0	109.7	L260 Y264 R265 L266	L260-S262 PolarHBondContact O-N 3.45Å; L260-S262 VanDerWaalsContact O-N 3.11Å; S262-Y264 PolarHBondContact O-N 2.98Å; S262-R265 PolarHBondContact O-N 3.43Å; S262-R265 VanDerWaalsContact O-N 3.12Å; S262-R265 WeakPolarHBondContact OG-CG 3.41Å; S262-R265 PolarHBondContact OG-N 3.44Å; S262-L266 WeakPolarHBondContact O-CG 3.05Å; S262-L266 PolarHBondContact O-N 2.8Å
263	L	83.3	Confident	84.6	Confident	66 Å²	66	52.2 Å²	52.2	35%	0.346	31%	0.306	S	S	.	.	H	α-helix	trans	-55.5	-40.9	176.6	-71.9	178.8	0	0	0	111.3	P134 R265 L266 H267 A268 N269 K270	P134-L263 WeakPolarHBondContact CG-O 3.22Å; L263-R265 PolarHBondContact O-N 2.97Å; L263-L266 CarbonylContact O-C 3.55Å; L263-L266 PolarHBondContact O-N 2.05Å; L263-H267 PolarHBondContact O-N 3.12Å; L263-A268 WeakPolarHBondContact CB-O 3.41Å; L263-A268 PolarHBondContact O-N 3.27Å; L263-N269 WeakPolarHBondContact CD1-O 3.34Å; L263-K270 VanDerWaalsContact CD2-C 3.41Å
264	Y	84	Confident	84.7	Confident	10 Å²	10	49.2 Å²	49.2	4%	0.039	28%	0.275	C	S	.	.	H	α-helix	trans	-49.4	-54.2	172	-177.2	-96.6	0	0	0	113.3	D129 D132 P134 R151 D157 S262 L266 H267	D129-Y264 HydrophobicContact CB-CD1 4.29Å; D129-Y264 HydrophobicContact CB-CG 4.33Å; D129-Y264 VanDerWaalsContact O-CB 3.26Å; D129-Y264 WeakPolarHBondContact O-CB 3.08Å; D132-Y264 HydrophobicContact CB-CD2 4.08Å; D132-Y264 VanDerWaalsContact OD2-CD2 3.27Å; D132-Y264 WeakPolarHBondContact OD2-CD2 3.05Å; D132-Y264 WeakPolarHBondContact OD2-CE2 3.09Å; P134-Y264 HydrophobicContact CB-CD2 4.15Å; R151-Y264 PolarHBondContact NH2-OH 3.26Å; D157-Y264 WeakPolarHBondContact CB-OH 3.15Å; D157-Y264 PolarHBondContact OD1-OH 3.46Å; S262-Y264 PolarHBondContact O-N 2.98Å; Y264-L266 VanDerWaalsContact C-N 3.31Å; Y264-L266 PolarHBondContact O-N 3.29Å; Y264-H267 PolarHBondContact O-N 3.06Å; Y264-H267 VanDerWaalsContact O-N 3.17Å
265	R	86.4	Confident	85	Confident	39 Å²	39	47.6 Å²	47.6	15%	0.147	27%	0.269	C	S	.	.	H	α-helix	trans	-76.1	-21.8	-176.7	-64	-168.9	-170.4	152.4	12.6	113.3	D129 S262 L263 H267 L281	D129-R265 IonicContact OD2-NE 2.79Å; D129-R265 IonicContact OD2-NH2 3.83Å; D129-R265 PolarHBondContact OD2-NH2 2.77Å; S262-R265 PolarHBondContact O-N 3.43Å; S262-R265 VanDerWaalsContact O-N 3.12Å; S262-R265 WeakPolarHBondContact OG-CG 3.41Å; S262-R265 PolarHBondContact OG-N 3.44Å; L263-R265 PolarHBondContact O-N 2.97Å; R265-H267 VanDerWaalsContact C-N 3.26Å; R265-L281 HydrophobicContact CB-CD2 3.59Å; R265-L281 WeakPolarHBondContact CD-O 3.37Å; R265-L281 PolarHBondContact NH1-O 3.36Å; R265-L281 WeakPolarHBondContact O-CD2 3.46Å
266	L	88.9	Confident	85.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-81.4	-7.7	172.6	-69.3	167.7	0	0	0	112.4	W246 L261 S262 L263 Y264 A268 M271 A274 R279 L281	W246-L266 HydrophobicContact CB-CD1 4.5Å; W246-L266 HydrophobicContact CB-CD2 4.08Å; W246-L266 HydrophobicContact CD2-CD2 3.62Å; W246-L266 HydrophobicContact CE3-CD2 4.33Å; W246-L266 HydrophobicContact CG-CD2 3.49Å; W246-L266 VanDerWaalsContact CG-CD2 3.49Å; L261-L266 HydrophobicContact CD2-CD1 4.26Å; L261-L266 HydrophobicContact CD2-CD2 4.41Å; S262-L266 WeakPolarHBondContact O-CG 3.05Å; S262-L266 PolarHBondContact O-N 2.8Å; L263-L266 CarbonylContact O-C 3.55Å; L263-L266 PolarHBondContact O-N 2.05Å; Y264-L266 VanDerWaalsContact C-N 3.31Å; Y264-L266 PolarHBondContact O-N 3.29Å; L266-A268 HydrophobicContact CB-CB 4.43Å; L266-A268 PolarHBondContact O-N 3.33Å; L266-M271 HydrophobicContact CD1-CE 4.1Å; L266-M271 HydrophobicContact CD1-SD 3.5Å; L266-M271 WeakPolarHBondContact CD1-SD 3.29Å; L266-A274 HydrophobicContact CB-CB 3.87Å; L266-A274 HydrophobicContact CD1-CB 4.16Å; L266-A274 HydrophobicContact CD2-CB 4.14Å; L266-A274 HydrophobicContact CG-CB 4.29Å; L266-R279 HydrophobicContact CD2-CG 4.26Å; L266-R279 PolarHBondContact O-NE 3.32Å; L266-L281 HydrophobicContact CD2-CD1 4.3Å; L266-L281 HydrophobicContact CD2-CD2 3.78Å; L266-L281 HydrophobicContact CG-CD2 4.05Å
267	H	86.5	Confident	85.9	Confident	9 Å²	9	42.6 Å²	42.6	4%	0.042	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.5	-174.1	-69.8	-85.7	0	0	0	112	P204 W229 Y230 L263 Y264 R265	P204-H267 WeakPolarHBondContact CG-O 3.03Å; W229-H267 PolarHBondContact O-NE2 3.32Å; Y230-H267 PolarHBondContact O-CD2 3.48Å; L263-H267 PolarHBondContact O-N 3.12Å; Y264-H267 PolarHBondContact O-N 3.06Å; Y264-H267 VanDerWaalsContact O-N 3.17Å; R265-H267 VanDerWaalsContact C-N 3.26Å
268	A	84.9	Confident	86.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.			trans	-137.9	152.8	-178.5	0	0	0	0	0	110.8	P204 L263 L266 K270 D273 A274	P204-A268 HydrophobicContact CG-CB 4.42Å; L263-A268 WeakPolarHBondContact CB-O 3.41Å; L263-A268 PolarHBondContact O-N 3.27Å; L266-A268 HydrophobicContact CB-CB 4.43Å; L266-A268 PolarHBondContact O-N 3.33Å; A268-K270 WeakPolarHBondContact CB-O 3.4Å; A268-D273 HydrophobicContact CB-CB 4.23Å; A268-A274 HydrophobicContact CB-CB 3.9Å
269	N	80.7	Confident	87.1	Confident	57 Å²	57	33.4 Å²	33.4	31%	0.305	18%	0.179	S	C	.	.	S	Bend	trans	-83.1	-24.6	173.6	57.1	-4.7	0	0	0	112.9	L263 D273	L263-N269 WeakPolarHBondContact CD1-O 3.34Å; N269-D273 PolarHBondContact ND2-OD2 3.2Å; N269-D273 WeakPolarHBondContact OD1-CB 3.3Å; N269-D273 PolarHBondContact OD1-OD2 3.01Å
270	K	83.9	Confident	87.8	Confident	103 Å²	103	30.5 Å²	30.5	45%	0.448	15%	0.149	S	C	.	.	S	Bend	trans	-145.4	161.3	174.8	64.1	-175.2	173.6	-175.2	0	110	L263 A268 E272 D273	L263-K270 VanDerWaalsContact CD2-C 3.41Å; A268-K270 WeakPolarHBondContact CB-O 3.4Å; K270-E272 WeakPolarHBondContact CB-OE2 3.45Å; K270-E272 WeakPolarHBondContact CG-OE2 3.49Å; K270-E272 PolarHBondContact O-N 3.49Å; K270-D273 WeakPolarHBondContact CE-OD1 3.36Å; K270-D273 WeakPolarHBondContact CE-OD2 3.47Å; K270-D273 HydrophobicContact CG-CB 4.01Å; K270-D273 IonicContact NZ-OD1 2.77Å; K270-D273 IonicContact NZ-OD2 3.69Å; K270-D273 PolarHBondContact O-N 3.36Å
271	M	86.9	Confident	88.3	Confident	40 Å²	40	28.9 Å²	28.9	20%	0.197	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-32.7	-171.1	-169.3	64.3	69.1	0	0	112.1	W246 D247 L266 D273 A274	W246-M271 HydrophobicContact CB-SD 4.2Å; D247-M271 HydrophobicContact CB-CB 4.43Å; D247-M271 HydrophobicContact CB-CG 3.66Å; L266-M271 HydrophobicContact CD1-CE 4.1Å; L266-M271 HydrophobicContact CD1-SD 3.5Å; L266-M271 WeakPolarHBondContact CD1-SD 3.29Å; M271-D273 VanDerWaalsContact C-N 3.33Å; M271-D273 PolarHBondContact O-N 2.78Å; M271-A274 WeakPolarHBondContact O-CB 3.38Å; M271-A274 PolarHBondContact O-N 3.19Å
272	E	86.6	Confident	88.4	Confident	111 Å²	111	28.9 Å²	28.9	52%	0.519	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.7	-180	-59.1	71.7	-153.2	0	0	111.7	K270 A274 A275	K270-E272 WeakPolarHBondContact CB-OE2 3.45Å; K270-E272 WeakPolarHBondContact CG-OE2 3.49Å; K270-E272 PolarHBondContact O-N 3.49Å; E272-A274 VanDerWaalsContact C-N 3.25Å; E272-A274 PolarHBondContact O-N 3.02Å; E272-A275 PolarHBondContact O-N 3.31Å; E272-A275 VanDerWaalsContact O-N 3.1Å
273	D	85.8	Confident	88.5	Confident	37 Å²	37	29 Å²	29	20%	0.198	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.9	-177.7	-73.1	2.6	0	0	0	112.2	P204 A268 N269 K270 M271 A275	P204-D273 HydrophobicContact CB-CB 4.22Å; P204-D273 VanDerWaalsContact CB-O 3.29Å; P204-D273 WeakPolarHBondContact CB-O 3.39Å; P204-D273 HydrophobicContact CG-CB 4.4Å; A268-D273 HydrophobicContact CB-CB 4.23Å; N269-D273 PolarHBondContact ND2-OD2 3.2Å; N269-D273 WeakPolarHBondContact OD1-CB 3.3Å; N269-D273 PolarHBondContact OD1-OD2 3.01Å; K270-D273 WeakPolarHBondContact CE-OD1 3.36Å; K270-D273 WeakPolarHBondContact CE-OD2 3.47Å; K270-D273 HydrophobicContact CG-CB 4.01Å; K270-D273 IonicContact NZ-OD1 2.77Å; K270-D273 IonicContact NZ-OD2 3.69Å; K270-D273 PolarHBondContact O-N 3.36Å; M271-D273 VanDerWaalsContact C-N 3.33Å; M271-D273 PolarHBondContact O-N 2.78Å; D273-A275 PolarHBondContact O-N 3.36Å
274	A	88.9	Confident	88.9	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.7	170.5	0	0	0	0	0	112.5	W246 L266 A268 M271 E272 N276 Y277	W246-A274 HydrophobicContact CB-CB 4.19Å; W246-A274 HydrophobicContact CG-CB 4.33Å; L266-A274 HydrophobicContact CB-CB 3.87Å; L266-A274 HydrophobicContact CD1-CB 4.16Å; L266-A274 HydrophobicContact CD2-CB 4.14Å; L266-A274 HydrophobicContact CG-CB 4.29Å; A268-A274 HydrophobicContact CB-CB 3.9Å; M271-A274 WeakPolarHBondContact O-CB 3.38Å; M271-A274 PolarHBondContact O-N 3.19Å; E272-A274 VanDerWaalsContact C-N 3.25Å; E272-A274 PolarHBondContact O-N 3.02Å; A274-N276 PolarHBondContact O-N 3.31Å; A274-Y277 VanDerWaalsContact O-CD2 3.3Å; A274-Y277 WeakPolarHBondContact O-CD2 2.99Å; A274-Y277 PolarHBondContact O-N 2.76Å
275	A	92.9	Very high	89.1	Confident	13 Å²	13	29.4 Å²	29.4	11%	0.107	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	-134.2	-177.1	0	0	0	0	0	111.5	Y245 W246 E272 D273 Y277	Y245-A275 WeakPolarHBondContact CA-O 3.31Å; Y245-A275 HydrophobicContact CD1-CB 4.38Å; Y245-A275 HydrophobicContact CE1-CB 4.16Å; W246-A275 PolarHBondContact N-O 3.23Å; E272-A275 PolarHBondContact O-N 3.31Å; E272-A275 VanDerWaalsContact O-N 3.1Å; D273-A275 PolarHBondContact O-N 3.36Å; A275-Y277 HydrophobicContact CB-CD1 4.3Å; A275-Y277 HydrophobicContact CB-CD2 3.93Å; A275-Y277 HydrophobicContact CB-CE1 4.05Å; A275-Y277 HydrophobicContact CB-CE2 3.63Å; A275-Y277 HydrophobicContact CB-CG 4.26Å
276	N	95.3	Very high	89.4	Confident	22 Å²	22	32.8 Å²	32.8	12%	0.118	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	29.1	172.3	65.5	-18.5	0	0	0	111.7	S235 C243 E244 Y245 A274	S235-N276 VanDerWaalsContact CB-OD1 3.22Å; S235-N276 WeakPolarHBondContact CB-OD1 3.06Å; C243-N276 HydrophobicContact CB-CB 3.96Å; C243-N276 WeakPolarHBondContact CB-O 3.5Å; C243-N276 WeakPolarHBondContact O-CB 3.37Å; C243-N276 PolarHBondContact O-ND2 3.29Å; E244-N276 VanDerWaalsContact C-CB 3.49Å; E244-N276 WeakPolarHBondContact O-CB 3.11Å; Y245-N276 HydrophobicContact CD1-CB 4.38Å; Y245-N276 HydrophobicContact CD2-CB 4.22Å; Y245-N276 HydrophobicContact CE2-CB 4.49Å; Y245-N276 HydrophobicContact CG-CB 4.15Å; A274-N276 PolarHBondContact O-N 3.31Å
277	Y	94.4	Very high	89.7	Confident	48 Å²	48	32.8 Å²	32.8	19%	0.188	16%	0.161	C	C	.	.			trans	-73	142.7	-175.6	-55.4	-41.8	0	0	0	112	K233 R234 W246 A274 A275 R279	K233-Y277 VanDerWaalsContact C-CD1 3.47Å; K233-Y277 VanDerWaalsContact CA-CD1 3.49Å; K233-Y277 HydrophobicContact CB-CD1 4.02Å; K233-Y277 HydrophobicContact CB-CE1 3.66Å; K233-Y277 HydrophobicContact CG-CE1 4.03Å; K233-Y277 HydrophobicContact CG-CE2 4.22Å; K233-Y277 WeakPolarHBondContact O-CD1 3.46Å; K233-Y277 WeakPolarHBondContact O-CE1 3.38Å; R234-Y277 CarbonylContact O-C 3.54Å; R234-Y277 WeakPolarHBondContact O-CA 3.31Å; W246-Y277 PolarHBondContact NE1-O 3.45Å; A274-Y277 VanDerWaalsContact O-CD2 3.3Å; A274-Y277 WeakPolarHBondContact O-CD2 2.99Å; A274-Y277 PolarHBondContact O-N 2.76Å; A275-Y277 HydrophobicContact CB-CD1 4.3Å; A275-Y277 HydrophobicContact CB-CD2 3.93Å; A275-Y277 HydrophobicContact CB-CE1 4.05Å; A275-Y277 HydrophobicContact CB-CE2 3.63Å; A275-Y277 HydrophobicContact CB-CG 4.26Å; Y277-R279 VanDerWaalsContact CB-NH1 3.34Å; Y277-R279 PolarHBondContact O-N 3.27Å
278	C	95.6	Very high	90.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.			trans	-62.3	137.1	176.6	-60.6	0	0	0	0	111	Y230 R234 C243 P288 W289 C300 F301	Y230-C278 WeakPolarHBondContact CD1-O 3.29Å; Y230-C278 HydrophobicContact CE1-CB 4.11Å; Y230-C278 WeakPolarHBondContact CE1-O 3.42Å; R234-C278 PolarHBondContact O-N 3.11Å; R234-C278 PolarHBondContact O-SG 3.1Å; C243-C278 VanDerWaalsContact SG-SG 3.69Å; C278-P288 HydrophobicContact CB-CB 4.27Å; C278-W289 WeakPolarHBondContact CA-O 3.22Å; C278-C300 HydrophobicContact CB-CB 3.55Å; C278-C300 WeakPolarHBondContact CB-SG 3.39Å; C278-C300 WeakPolarHBondContact SG-CB 3.42Å; C278-C300 CovalentContact SG-SG 2.01Å; C278-C300 PolarHBondContact SG-SG 3.16Å; C278-F301 HydrophobicContact CB-CE2 4.45Å
279	R	94.6	Very high	90.7	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-143.5	163	-178.9	-65.3	-66.3	179.6	-103.1	8.8	110	Y230 S231 G232 W246 L266 Y277 L281 P288 W289	Y230-R279 WeakPolarHBondContact O-CD 3.27Å; S231-R279 PolarHBondContact O-NH2 3.12Å; S231-R279 VanDerWaalsContact O-NH2 3.17Å; G232-R279 PolarHBondContact O-NH1 3.19Å; W246-R279 HydrophobicContact CZ2-CB 4.26Å; L266-R279 HydrophobicContact CD2-CG 4.26Å; L266-R279 PolarHBondContact O-NE 3.32Å; Y277-R279 VanDerWaalsContact CB-NH1 3.34Å; Y277-R279 PolarHBondContact O-N 3.27Å; R279-L281 HydrophobicContact CB-CD2 3.68Å; R279-L281 HydrophobicContact CB-CG 4.12Å; R279-L281 HydrophobicContact CG-CD2 4.44Å; R279-P288 WeakPolarHBondContact O-CA 3.38Å; R279-W289 PolarHBondContact N-O 2.02Å; R279-W289 PolarHBondContact O-N 3.4Å
280	N	93.4	Very high	91.5	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.145	C	C	.	.			trans	-116.8	70.7	175.5	-169.4	-0.3	0	0	0	110.8	R226 D282 Y283 D284	R226-N280 PolarHBondContact O-ND2 2.82Å; N280-D282 PolarHBondContact O-N 2.97Å; N280-D282 VanDerWaalsContact O-N 3.16Å; N280-D282 PolarHBondContact OD1-OD1 3.46Å; N280-Y283 PolarHBondContact O-N 3.03Å; N280-Y283 WeakPolarHBondContact OD1-CA 3.03Å; N280-Y283 PolarHBondContact OD1-N 3.16Å; N280-D284 PolarHBondContact ND2-N 2.94Å; N280-D284 PolarHBondContact ND2-O 3.32Å; N280-D284 WeakPolarHBondContact OD1-CB 3.32Å; N280-D284 PolarHBondContact OD1-N 3.33Å
281	L	90.8	Very high	92.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.6	-170	-52.3	179.1	0	0	0	114.5	W246 M257 L260 L261 R265 L266 R279 W289	W246-L281 HydrophobicContact CE3-CD1 4.3Å; W246-L281 HydrophobicContact CH2-CD1 3.78Å; W246-L281 HydrophobicContact CZ2-CD1 4.34Å; W246-L281 HydrophobicContact CZ3-CD1 3.77Å; M257-L281 HydrophobicContact CE-CD1 3.75Å; L260-L281 HydrophobicContact CB-CB 4.24Å; L261-L281 HydrophobicContact CD2-CD1 3.88Å; R265-L281 HydrophobicContact CB-CD2 3.59Å; R265-L281 WeakPolarHBondContact CD-O 3.37Å; R265-L281 PolarHBondContact NH1-O 3.36Å; R265-L281 WeakPolarHBondContact O-CD2 3.46Å; L266-L281 HydrophobicContact CD2-CD1 4.3Å; L266-L281 HydrophobicContact CD2-CD2 3.78Å; L266-L281 HydrophobicContact CG-CD2 4.05Å; R279-L281 HydrophobicContact CB-CD2 3.68Å; R279-L281 HydrophobicContact CB-CG 4.12Å; R279-L281 HydrophobicContact CG-CD2 4.44Å; L281-W289 HydrophobicContact CB-CZ2 4.2Å; L281-W289 HydrophobicContact CD1-CH2 4.35Å; L281-W289 HydrophobicContact CG-CZ2 4.5Å
282	D	87.4	Confident	92.5	Very high	34 Å²	34	23.5 Å²	23.5	18%	0.182	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	7	-173.9	59.5	-14.6	0	0	0	113.4	K40 L260 N280 D284 W289 K297	K40-D282 WeakPolarHBondContact CE-O 3.37Å; K40-D282 PolarHBondContact NZ-O 3.36Å; L260-D282 HydrophobicContact CD1-CB 4.25Å; L260-D282 HydrophobicContact CD2-CB 3.87Å; N280-D282 PolarHBondContact O-N 2.97Å; N280-D282 VanDerWaalsContact O-N 3.16Å; N280-D282 PolarHBondContact OD1-OD1 3.46Å; D282-D284 PolarHBondContact O-N 3.19Å; D282-D284 WeakPolarHBondContact OD1-CB 3.02Å; D282-D284 PolarHBondContact OD1-N 2.89Å; D282-W289 PolarHBondContact OD1-NE1 2.7Å; D282-K297 IonicContact OD1-NZ 2.82Å; D282-K297 IonicContact OD2-NZ 3.99Å; D282-K297 PolarHBondContact OD2-NZ 3.24Å
283	Y	88	Confident	92.9	Very high	14 Å²	14	21.2 Å²	21.2	6%	0.055	11%	0.111	C	C	.	.			trans	55.1	39.7	-173.4	-57.1	-98.8	0	0	0	112.4	A39 K40 R125 R226 A228 N280	A39-Y283 WeakPolarHBondContact O-CD1 3.15Å; A39-Y283 WeakPolarHBondContact O-CE1 3.34Å; K40-Y283 HydrophobicContact CB-CD2 4.48Å; K40-Y283 HydrophobicContact CD-CD2 4.38Å; K40-Y283 HydrophobicContact CG-CD2 3.93Å; K40-Y283 HydrophobicContact CG-CG 3.92Å; R125-Y283 VanDerWaalsContact CZ-OH 3.31Å; R125-Y283 PolarHBondContact NH2-OH 2.86Å; R226-Y283 VanDerWaalsContact CD-O 3.29Å; R226-Y283 WeakPolarHBondContact CD-O 3.08Å; R226-Y283 PolarHBondContact NH1-O 2.88Å; A228-Y283 HydrophobicContact CB-CD1 3.38Å; A228-Y283 HydrophobicContact CB-CE1 3.52Å; A228-Y283 HydrophobicContact CB-CG 4.37Å; N280-Y283 PolarHBondContact O-N 3.03Å; N280-Y283 WeakPolarHBondContact OD1-CA 3.03Å; N280-Y283 PolarHBondContact OD1-N 3.16Å
284	D	91.6	Very high	93.2	Very high	24 Å²	24	26.1 Å²	26.1	13%	0.128	13%	0.132	C	C	.	.			trans	-54.2	128.6	176.6	-162.9	-57.3	0	0	0	110	N280 D282 K286 G287 K297	N280-D284 PolarHBondContact ND2-N 2.94Å; N280-D284 PolarHBondContact ND2-O 3.32Å; N280-D284 WeakPolarHBondContact OD1-CB 3.32Å; N280-D284 PolarHBondContact OD1-N 3.33Å; D282-D284 PolarHBondContact O-N 3.19Å; D282-D284 WeakPolarHBondContact OD1-CB 3.02Å; D282-D284 PolarHBondContact OD1-N 2.89Å; D284-K286 PolarHBondContact O-N 3.37Å; D284-K286 VanDerWaalsContact O-N 3.17Å; D284-K286 WeakPolarHBondContact OD1-CB 2.83Å; D284-K286 PolarHBondContact OD1-N 2.77Å; D284-G287 PolarHBondContact O-N 3.34Å; D284-K297 WeakPolarHBondContact OD2-CE 3.05Å; D284-K297 IonicContact OD2-NZ 3.42Å; D284-K297 PolarHBondContact OD2-NZ 2.7Å
285	P	88.7	Confident	93.3	Very high	61 Å²	61	29.4 Å²	29.4	40%	0.396	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.2	176.1	-25	34.6	0	0	0	114.5	G287 R303	P285-G287 VanDerWaalsContact C-N 3.27Å; P285-R303 PolarHBondContact O-NE 3.02Å; P285-R303 PolarHBondContact O-NH1 2.82Å; P285-R303 PolarHBondContact O-NH2 2.76Å; P285-R303 VanDerWaalsContact O-NH2 3.12Å
286	K	92.6	Very high	93.3	Very high	110 Å²	110	34.5 Å²	34.5	48%	0.478	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.6	177.4	-69.4	178.6	173.3	-174.6	0	113.3	D284 Y299	D284-K286 PolarHBondContact O-N 3.37Å; D284-K286 VanDerWaalsContact O-N 3.17Å; D284-K286 WeakPolarHBondContact OD1-CB 2.83Å; D284-K286 PolarHBondContact OD1-N 2.77Å; K286-Y299 HydrophobicContact CB-CD1 3.65Å; K286-Y299 HydrophobicContact CB-CE1 3.4Å; K286-Y299 HydrophobicContact CB-CE2 4.47Å; K286-Y299 HydrophobicContact CB-CG 4.3Å; K286-Y299 HydrophobicContact CD-CD1 4.5Å; K286-Y299 HydrophobicContact CD-CD2 4.24Å; K286-Y299 HydrophobicContact CD-CE1 3.87Å; K286-Y299 HydrophobicContact CD-CE2 3.58Å; K286-Y299 WeakPolarHBondContact CD-OH 3.43Å; K286-Y299 HydrophobicContact CG-CE1 4.26Å
287	G	94	Very high	93.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.			trans	91.9	-159.5	174	0	0	0	0	0	114.3	R226 D284 P285	R226-G287 WeakPolarHBondContact O-CA 3.13Å; D284-G287 PolarHBondContact O-N 3.34Å; P285-G287 VanDerWaalsContact C-N 3.27Å
288	P	96.3	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.			trans	-64.4	139.9	-171.2	-20.1	31.9	0	0	0	112.9	L227 Y230 C278 R279 C300 F301	L227-P288 HydrophobicContact CB-CG 3.89Å; L227-P288 HydrophobicContact CD1-CG 4.49Å; Y230-P288 HydrophobicContact CD1-CB 3.92Å; Y230-P288 HydrophobicContact CD1-CG 3.96Å; Y230-P288 HydrophobicContact CG-CB 4.4Å; Y230-P288 HydrophobicContact CG-CG 3.92Å; C278-P288 HydrophobicContact CB-CB 4.27Å; R279-P288 WeakPolarHBondContact O-CA 3.38Å; P288-C300 PolarHBondContact O-N 2.99Å; P288-F301 HydrophobicContact CB-CD2 3.81Å; P288-F301 HydrophobicContact CB-CE2 3.86Å; P288-F301 HydrophobicContact CG-CD2 3.82Å; P288-F301 HydrophobicContact CG-CE2 3.98Å
289	W	97	Very high	93.6	Very high	4 Å²	4	39 Å²	39	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	169.8	-176.5	58	-92.9	0	0	0	110.2	W246 M257 C278 R279 L281 D282 M291 K297 E298 Y299	W246-W289 HydrophobicContact CH2-CE3 4.22Å; W246-W289 HydrophobicContact CH2-CH2 4.42Å; W246-W289 AromaticContact CH2-CZ3 3.89Å; W246-W289 HydrophobicContact CH2-CZ3 3.89Å; W246-W289 HydrophobicContact CZ3-CZ3 4.31Å; M257-W289 HydrophobicContact CE-CH2 3.97Å; M257-W289 HydrophobicContact CE-CZ3 4.44Å; M257-W289 HydrophobicContact SD-CH2 3.71Å; M257-W289 HydrophobicContact SD-CZ3 4.11Å; C278-W289 WeakPolarHBondContact CA-O 3.22Å; R279-W289 PolarHBondContact N-O 2.02Å; R279-W289 PolarHBondContact O-N 3.4Å; L281-W289 HydrophobicContact CB-CZ2 4.2Å; L281-W289 HydrophobicContact CD1-CH2 4.35Å; L281-W289 HydrophobicContact CG-CZ2 4.5Å; D282-W289 PolarHBondContact OD1-NE1 2.7Å; W289-M291 HydrophobicContact CE3-SD 4.46Å; W289-M291 HydrophobicContact CZ3-CG 4.04Å; W289-M291 HydrophobicContact CZ3-SD 3.76Å; W289-K297 HydrophobicContact CB-CG 4.34Å; W289-K297 VanDerWaalsContact CD1-CE 3.49Å; W289-K297 HydrophobicContact CD2-CD 3.84Å; W289-K297 VanDerWaalsContact CD2-CE 3.44Å; W289-K297 HydrophobicContact CD2-CG 3.87Å; W289-K297 HydrophobicContact CE3-CB 4.36Å; W289-K297 HydrophobicContact CE3-CD 3.92Å; W289-K297 HydrophobicContact CE3-CG 3.64Å; W289-K297 HydrophobicContact CG-CD 4.26Å; W289-K297 VanDerWaalsContact CG-CE 3.44Å; W289-K297 HydrophobicContact CG-CG 4.19Å; W289-K297 HydrophobicContact CH2-CD 4.45Å; W289-K297 HydrophobicContact CZ2-CD 4.37Å; W289-K297 HydrophobicContact CZ3-CD 4.24Å; W289-K297 HydrophobicContact CZ3-CG 4.19Å; W289-E298 CarbonylContact C-O 3.52Å; W289-E298 WeakPolarHBondContact CA-O 3.39Å; W289-E298 WeakPolarHBondContact CB-O 3.45Å; W289-Y299 HydrophobicContact CB-CD1 4Å; W289-Y299 HydrophobicContact CB-CE1 4.43Å
290	C	97.1	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	166.3	169.5	70.3	0	0	0	0	110.1	T237 C243 W246 E298	T237-C290 VanDerWaalsContact CG2-SG 3.6Å; C243-C290 VanDerWaalsContact CA-SG 3.56Å; C243-C290 HydrophobicContact CB-CB 3.59Å; C243-C290 WeakPolarHBondContact CB-SG 3.13Å; C243-C290 WeakPolarHBondContact SG-CB 3.14Å; C243-C290 CovalentContact SG-SG 2.02Å; C243-C290 PolarHBondContact SG-SG 3.25Å; W246-C290 HydrophobicContact CZ2-CB 4.3Å; C290-E298 PolarHBondContact N-O 2.9Å; C290-E298 PolarHBondContact O-N 3.3Å
291	M	96.2	Very high	93.8	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.4	165.8	-63.7	-57.6	-62.8	0	0	108.3	E244 W246 I249 L254 M257 W289 K295 H296 K297	E244-M291 WeakPolarHBondContact CB-O 3.41Å; E244-M291 PolarHBondContact N-O 3.16Å; W246-M291 HydrophobicContact CZ3-CG 4.2Å; I249-M291 HydrophobicContact CD1-CB 3.49Å; I249-M291 VanDerWaalsContact CD1-CB 3.49Å; I249-M291 HydrophobicContact CD1-CG 3.97Å; I249-M291 HydrophobicContact CG1-CB 3.89Å; I249-M291 HydrophobicContact CG1-CG 4.21Å; I249-M291 HydrophobicContact CG2-CG 4.23Å; L254-M291 HydrophobicContact CD1-CE 4.11Å; M257-M291 HydrophobicContact SD-CG 4.18Å; M257-M291 HydrophobicContact SD-SD 4.22Å; W289-M291 HydrophobicContact CE3-SD 4.46Å; W289-M291 HydrophobicContact CZ3-CG 4.04Å; W289-M291 HydrophobicContact CZ3-SD 3.76Å; M291-K295 HydrophobicContact CE-CB 4.28Å; M291-K295 WeakPolarHBondContact CE-O 3.34Å; M291-H296 CarbonylContact C-O 3.48Å; M291-H296 WeakPolarHBondContact CA-O 3.44Å; M291-K297 HydrophobicContact SD-CB 4.02Å
292	T	96.1	Very high	94	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-74.6	169.2	171.4	68.1	0	0	0	0	111	T237 N241 H294 K295 H296 E298	T237-T292 HydrophobicContact CG2-CG2 4.17Å; N241-T292 HydrophobicContact CB-CG2 3.91Å; T292-H294 PolarHBondContact O-N 2.68Å; T292-H294 VanDerWaalsContact O-N 3.16Å; T292-H294 PolarHBondContact OG1-N 3.37Å; T292-K295 WeakPolarHBondContact O-CA 3.42Å; T292-K295 PolarHBondContact O-N 3.34Å; T292-H296 PolarHBondContact N-O 3.1Å; T292-H296 PolarHBondContact OG1-N 3.49Å; T292-E298 HydrophobicContact CG2-CB 4.15Å; T292-E298 VanDerWaalsContact CG2-CD 3.5Å; T292-E298 HydrophobicContact CG2-CG 3.85Å; T292-E298 WeakPolarHBondContact CG2-OE1 3.32Å
293	V	93.4	Very high	94.3	Very high	63 Å²	63	41.1 Å²	41.1	38%	0.382	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.3	170.3	-62.5	0	0	0	0	112.6	P242 K295	P242-V293 HydrophobicContact CG-CG1 4.49Å; V293-K295 PolarHBondContact O-N 3.39Å
294	H	92.2	Very high	94.6	Very high	141 Å²	141	42.3 Å²	42.3	65%	0.653	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	10.3	174.8	-59	-57.5	0	0	0	114	T292 H296	T292-H294 PolarHBondContact O-N 2.68Å; T292-H294 VanDerWaalsContact O-N 3.16Å; T292-H294 PolarHBondContact OG1-N 3.37Å; H294-H296 VanDerWaalsContact C-N 3.3Å; H294-H296 PolarHBondContact O-N 3.23Å
295	K	91.7	Very high	94.5	Very high	69 Å²	69	44.1 Å²	44.1	30%	0.3	22%	0.22	S	C	.	.	S	Bend	trans	59.7	36.7	178.5	-44.8	-52.7	-179.4	-165.5	0	113.4	E244 I249 L254 M291 T292 V293	E244-K295 IonicContact OE2-NZ 2.73Å; E244-K295 PolarHBondContact OE2-NZ 3.29Å; I249-K295 HydrophobicContact CD1-CD 3.67Å; L254-K295 HydrophobicContact CD1-CB 4.32Å; L254-K295 HydrophobicContact CD1-CD 4.5Å; M291-K295 HydrophobicContact CE-CB 4.28Å; M291-K295 WeakPolarHBondContact CE-O 3.34Å; T292-K295 WeakPolarHBondContact O-CA 3.42Å; T292-K295 PolarHBondContact O-N 3.34Å; V293-K295 PolarHBondContact O-N 3.39Å
296	H	93.9	Very high	94.4	Very high	119 Å²	119	45 Å²	45	55%	0.551	22%	0.222	S	C	*	.			trans	-102.5	137.9	169.4	-63.8	163.3	0	0	0	111	M291 T292 H294 E298	M291-H296 CarbonylContact C-O 3.48Å; M291-H296 WeakPolarHBondContact CA-O 3.44Å; T292-H296 PolarHBondContact N-O 3.1Å; T292-H296 PolarHBondContact OG1-N 3.49Å; H294-H296 VanDerWaalsContact C-N 3.3Å; H294-H296 PolarHBondContact O-N 3.23Å; H296-E298 PolarHBondContact O-N 2.89Å
297	K	95.4	Very high	93.8	Very high	72 Å²	72	42.5 Å²	42.5	31%	0.313	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	119.8	170.8	172.9	172.1	176.2	171.8	0	108.9	D282 D284 W289 M291	D282-K297 IonicContact OD1-NZ 2.82Å; D282-K297 IonicContact OD2-NZ 3.99Å; D282-K297 PolarHBondContact OD2-NZ 3.24Å; D284-K297 WeakPolarHBondContact OD2-CE 3.05Å; D284-K297 IonicContact OD2-NZ 3.42Å; D284-K297 PolarHBondContact OD2-NZ 2.7Å; W289-K297 HydrophobicContact CB-CG 4.34Å; W289-K297 VanDerWaalsContact CD1-CE 3.49Å; W289-K297 HydrophobicContact CD2-CD 3.84Å; W289-K297 VanDerWaalsContact CD2-CE 3.44Å; W289-K297 HydrophobicContact CD2-CG 3.87Å; W289-K297 HydrophobicContact CE3-CB 4.36Å; W289-K297 HydrophobicContact CE3-CD 3.92Å; W289-K297 HydrophobicContact CE3-CG 3.64Å; W289-K297 HydrophobicContact CG-CD 4.26Å; W289-K297 VanDerWaalsContact CG-CE 3.44Å; W289-K297 HydrophobicContact CG-CG 4.19Å; W289-K297 HydrophobicContact CH2-CD 4.45Å; W289-K297 HydrophobicContact CZ2-CD 4.37Å; W289-K297 HydrophobicContact CZ3-CD 4.24Å; W289-K297 HydrophobicContact CZ3-CG 4.19Å; M291-K297 HydrophobicContact SD-CB 4.02Å
298	E	97.6	Very high	92.4	Very high	27 Å²	27	46.3 Å²	46.3	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.8	177	-73.8	-170.1	-156.1	0	0	111.4	T237 N239 N241 W289 C290 T292 H296	T237-E298 WeakPolarHBondContact CB-OE2 3.46Å; T237-E298 HydrophobicContact CG2-CB 3.42Å; T237-E298 VanDerWaalsContact CG2-CB 3.42Å; T237-E298 HydrophobicContact CG2-CG 4.38Å; T237-E298 PolarHBondContact OG1-OE2 3.17Å; N239-E298 PolarHBondContact ND2-OE2 3.36Å; N241-E298 PolarHBondContact ND2-OE1 3.35Å; N241-E298 PolarHBondContact ND2-OE2 2.84Å; W289-E298 CarbonylContact C-O 3.52Å; W289-E298 WeakPolarHBondContact CA-O 3.39Å; W289-E298 WeakPolarHBondContact CB-O 3.45Å; C290-E298 PolarHBondContact N-O 2.9Å; C290-E298 PolarHBondContact O-N 3.3Å; T292-E298 HydrophobicContact CG2-CB 4.15Å; T292-E298 VanDerWaalsContact CG2-CD 3.5Å; T292-E298 HydrophobicContact CG2-CG 3.85Å; T292-E298 WeakPolarHBondContact CG2-OE1 3.32Å; H296-E298 PolarHBondContact O-N 2.89Å
299	Y	97.5	Very high	90.4	Very high	65 Å²	65	53.9 Å²	53.9	26%	0.255	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	144.5	-179.5	-54.9	-75.8	0	0	0	110.9	L238 K286 W289	L238-Y299 PolarHBondContact N-O 2.91Å; K286-Y299 HydrophobicContact CB-CD1 3.65Å; K286-Y299 HydrophobicContact CB-CE1 3.4Å; K286-Y299 HydrophobicContact CB-CE2 4.47Å; K286-Y299 HydrophobicContact CB-CG 4.3Å; K286-Y299 HydrophobicContact CD-CD1 4.5Å; K286-Y299 HydrophobicContact CD-CD2 4.24Å; K286-Y299 HydrophobicContact CD-CE1 3.87Å; K286-Y299 HydrophobicContact CD-CE2 3.58Å; K286-Y299 WeakPolarHBondContact CD-OH 3.43Å; K286-Y299 HydrophobicContact CG-CE1 4.26Å; W289-Y299 HydrophobicContact CB-CD1 4Å; W289-Y299 HydrophobicContact CB-CE1 4.43Å
300	C	97.2	Very high	88.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-98.1	-18.5	-178.5	-55	0	0	0	0	113.5	R234 C278 P288	R234-C300 VanDerWaalsContact CZ-O 3.23Å; R234-C300 PolarHBondContact NE-O 2.77Å; R234-C300 PolarHBondContact NH2-O 3.12Å; C278-C300 HydrophobicContact CB-CB 3.55Å; C278-C300 WeakPolarHBondContact CB-SG 3.39Å; C278-C300 WeakPolarHBondContact SG-CB 3.42Å; C278-C300 CovalentContact SG-SG 2.01Å; C278-C300 PolarHBondContact SG-SG 3.16Å; P288-C300 PolarHBondContact O-N 2.99Å
301	F	95.4	Very high	85.2	Confident	3 Å²	3	66.6 Å²	66.6	1%	0.013	35%	0.346	C	S	.	.	S	Bend	trans	-128.4	141	-175.9	-62.2	-83.5	0	0	0	110.7	E217 P218 V221 Y230 R234 C278 P288	E217-F301 HydrophobicContact CG-CE1 3.95Å; E217-F301 HydrophobicContact CG-CZ 4.25Å; P218-F301 HydrophobicContact CG-CD1 4.33Å; P218-F301 HydrophobicContact CG-CE1 3.93Å; P218-F301 HydrophobicContact CG-CZ 4.22Å; P218-F301 WeakPolarHBondContact O-CD1 3.28Å; P218-F301 WeakPolarHBondContact O-CE1 3.47Å; V221-F301 HydrophobicContact CG2-CB 3.44Å; V221-F301 VanDerWaalsContact CG2-CB 3.44Å; V221-F301 HydrophobicContact CG2-CG 4.41Å; Y230-F301 HydrophobicContact CD1-CE2 4.21Å; Y230-F301 HydrophobicContact CD2-CE2 4.44Å; Y230-F301 HydrophobicContact CD2-CZ 4.32Å; Y230-F301 AromaticContact CE1-CE2 3.86Å; Y230-F301 HydrophobicContact CE1-CE2 3.86Å; Y230-F301 HydrophobicContact CE1-CZ 4.05Å; Y230-F301 HydrophobicContact CE2-CE2 4.1Å; Y230-F301 AromaticContact CE2-CZ 3.65Å; Y230-F301 HydrophobicContact CE2-CZ 3.65Å; Y230-F301 HydrophobicContact CG-CE2 4.49Å; Y230-F301 AromaticContact CZ-CE2 3.8Å; Y230-F301 AromaticContact CZ-CZ 3.5Å; R234-F301 HydrophobicContact CB-CZ 4.08Å; R234-F301 HydrophobicContact CG-CZ 4.37Å; C278-F301 HydrophobicContact CB-CE2 4.45Å; P288-F301 HydrophobicContact CB-CD2 3.81Å; P288-F301 HydrophobicContact CB-CE2 3.86Å; P288-F301 HydrophobicContact CG-CD2 3.82Å; P288-F301 HydrophobicContact CG-CE2 3.98Å
302	P	95	Very high	82.2	Confident	33 Å²	33	77.2 Å²	77.2	21%	0.214	40%	0.401	C	S	.	.			trans	-75.4	158.5	174.1	33.2	-31.9	0	0	0	109.6	C220 V221 L238 T307	C220-P302 CarbonylContact C-O 3.52Å; C220-P302 VanDerWaalsContact CA-O 3.26Å; C220-P302 WeakPolarHBondContact CA-O 3.42Å; C220-P302 HydrophobicContact CB-CG 4.15Å; C220-P302 WeakPolarHBondContact CB-O 3.47Å; V221-P302 PolarHBondContact N-O 3.02Å; L238-P302 HydrophobicContact CD1-CB 4.4Å; L238-P302 HydrophobicContact CD2-CB 4.13Å; L238-P302 HydrophobicContact CD2-CG 4.26Å; P302-T307 HydrophobicContact CB-CG2 3.87Å; P302-T307 HydrophobicContact CG-CG2 3.69Å
303	R	94.2	Very high	81.5	Confident	48 Å²	48	81 Å²	81	18%	0.181	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-76.7	140	168.2	-62.7	-73.1	-99.4	147.5	-4.4	108.8	V221 P222 P285 S305 D306 T307	V221-R303 PolarHBondContact O-NH1 3.49Å; P222-R303 PolarHBondContact O-NH1 3.35Å; P285-R303 PolarHBondContact O-NE 3.02Å; P285-R303 PolarHBondContact O-NH1 2.82Å; P285-R303 PolarHBondContact O-NH2 2.76Å; P285-R303 VanDerWaalsContact O-NH2 3.12Å; R303-S305 PolarHBondContact O-N 3.3Å; R303-S305 VanDerWaalsContact O-N 3.12Å; R303-D306 HydrophobicContact CB-CB 4.49Å; R303-D306 WeakPolarHBondContact O-CB 3.21Å; R303-D306 PolarHBondContact O-N 3.34Å; R303-T307 PolarHBondContact O-N 2.98Å
304	C	93.1	Very high	80.8	Confident	40 Å²	40	81.9 Å²	81.9	27%	0.27	42%	0.423	S	S	.	.	H	α-helix	trans	-60.7	-25.9	179.4	-56.9	0	0	0	0	112.8	C220 V221 D306 T307 S308	C220-C304 HydrophobicContact CB-CB 3.94Å; C220-C304 WeakPolarHBondContact CB-SG 3.48Å; C220-C304 WeakPolarHBondContact SG-CA 3.41Å; C220-C304 WeakPolarHBondContact SG-CB 3.48Å; C220-C304 CovalentContact SG-SG 2.03Å; C220-C304 PolarHBondContact SG-SG 3.16Å; V221-C304 PolarHBondContact O-N 3.03Å; V221-C304 VanDerWaalsContact O-N 3.15Å; V221-C304 PolarHBondContact O-SG 3.32Å; C304-D306 VanDerWaalsContact C-N 3.26Å; C304-D306 PolarHBondContact O-N 2.77Å; C304-T307 WeakPolarHBondContact CA-OG1 3.24Å; C304-T307 PolarHBondContact O-OG1 3.4Å; C304-S308 PolarHBondContact O-N 3.36Å; C304-S308 PolarHBondContact O-OG 3.27Å
305	S	89.5	Confident	80.2	Confident	61 Å²	61	78.6 Å²	78.6	43%	0.427	41%	0.41	S	S	.	.	H	α-helix	trans	-67	-25	173.5	56.2	0	0	0	0	114	R303 S308	R303-S305 PolarHBondContact O-N 3.3Å; R303-S305 VanDerWaalsContact O-N 3.12Å; S305-S308 PolarHBondContact O-OG 3.19Å; S305-S308 VanDerWaalsContact O-OG 3.09Å
306	D	87.7	Confident	79.5	Confident	81 Å²	81	79.2 Å²	79.2	43%	0.433	42%	0.417	S	S	.	.	H	α-helix	trans	-92	-32.3	-175.8	-59.4	-16	0	0	0	110.1	R303 C304 K309	R303-D306 HydrophobicContact CB-CB 4.49Å; R303-D306 WeakPolarHBondContact O-CB 3.21Å; R303-D306 PolarHBondContact O-N 3.34Å; C304-D306 VanDerWaalsContact C-N 3.26Å; C304-D306 PolarHBondContact O-N 2.77Å; D306-K309 PolarHBondContact O-N 2.73Å
307	T	79.1	Confident	78.6	Confident	57 Å²	57	76.7 Å²	76.7	35%	0.35	41%	0.408	S	S	.	.	H	α-helix	trans	-67.2	-35.9	175.5	49.5	0	0	0	0	112.6	C220 P302 R303 C304 K309 H310	C220-T307 HydrophobicContact CB-CG2 4.46Å; P302-T307 HydrophobicContact CB-CG2 3.87Å; P302-T307 HydrophobicContact CG-CG2 3.69Å; R303-T307 PolarHBondContact O-N 2.98Å; C304-T307 WeakPolarHBondContact CA-OG1 3.24Å; C304-T307 PolarHBondContact O-OG1 3.4Å; T307-K309 PolarHBondContact O-N 3.41Å; T307-K309 VanDerWaalsContact O-N 3.17Å; T307-H310 PolarHBondContact O-N 3Å
308	S	64.2	Low	77.5	Confident	79 Å²	79	77 Å²	77	55%	0.552	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-65.7	-16.8	177.9	49.9	0	0	0	0	113.8	C304 S305	C304-S308 PolarHBondContact O-N 3.36Å; C304-S308 PolarHBondContact O-OG 3.27Å; S305-S308 PolarHBondContact O-OG 3.19Å; S305-S308 VanDerWaalsContact O-OG 3.09Å
309	K	55.9	Low	76.1	Confident	160 Å²	160	80.6 Å²	80.6	70%	0.696	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-84.2	-12.7	178.7	-66.9	-176.2	-178.3	176	0	113.6	D306 T307	D306-K309 PolarHBondContact O-N 2.73Å; T307-K309 PolarHBondContact O-N 3.41Å; T307-K309 VanDerWaalsContact O-N 3.17Å
310	H	47.8	Very low	74.4	Confident	168 Å²	168	81.8 Å²	81.8	78%	0.778	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-96.7	11.9	-179.2	-83.6	-71.7	0	0	0	113.9	T307	T307-H310 PolarHBondContact O-N 3Å
311	S	36	Very low	72.5	Confident	102 Å²	102	88.6 Å²	88.6	71%	0.713	49%	0.486	S	S	*	.			trans	-114.4	30.2	179.9	-50	0	0	0	0	114.2
312	L	32.6	Very low	70.5	Confident	231 Å²	231	96.4 Å²	96.4	100%	1.209	53%	0.529	S	S	*	.			trans	-124.3	0	166.8	-77.7	166.9	0	0	0	109

Retrieved 312 of 312 residues in 223 ms (Link to these results)

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