A0A5K4F396_SCHMA Loading...

BPTI/Kunitz inhibitor domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F396, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 aa.

						>A0A5K4F396_SCHMA|A0A5K4F396
MFSFCLYGTLLLICVQSVASYRKGNSDCLLDYGEGICRALLKRFYYDSVNQTCEIFYYGGCLGNGNNFLSKEECERKCGGQIYMTEKSFETTKQMETTSTSIDRSDNTETTITTQKPLSVGAKIVLGILDIKNKVSNLFKKIKGEK
					

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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	68.5	Low	84.5	Confident	189 Å²	189	118.3 Å²	118.3	93%	0.931	61%	0.611	S	S	*	*				0	-53.1	0	-114.9	150.7	70.8	0	0	112.6	S3 F4 C5	M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.33Å; M1-F4 PolarHBondContact O-N 3.06Å; M1-C5 PolarHBondContact O-N 3.21Å
2	F	77	Confident	85	Confident	185 Å²	185	117.5 Å²	117.5	81%	0.811	61%	0.608	S	S	*	*	H	α-helix	trans	-54.5	-39.9	-178.7	-62.4	-71.6	0	0	0	114.9	F4 C5 L6	F2-F4 PolarHBondContact O-N 3.09Å; F2-C5 PolarHBondContact O-N 2.92Å; F2-L6 PolarHBondContact O-N 3.45Å
3	S	80.4	Confident	85.3	Confident	63 Å²	63	116.3 Å²	116.3	44%	0.441	60%	0.601	S	S	.	*	H	α-helix	trans	-62.5	-43.1	179.5	-170.9	0	0	0	0	113.3	M1 C5 L6 Y7	M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.33Å; S3-C5 VanDerWaalsContact C-N 3.3Å; S3-C5 PolarHBondContact O-N 3.36Å; S3-L6 PolarHBondContact O-N 3.35Å; S3-L6 VanDerWaalsContact O-N 3.16Å; S3-Y7 WeakPolarHBondContact O-CD2 3.48Å; S3-Y7 PolarHBondContact O-N 3.37Å; S3-Y7 VanDerWaalsContact O-N 3.13Å; S3-Y7 VanDerWaalsContact OG-CE2 3.28Å; S3-Y7 WeakPolarHBondContact OG-CE2 3.34Å
4	F	82.7	Confident	85.4	Confident	172 Å²	172	112.9 Å²	112.9	75%	0.754	59%	0.591	S	S	*	*	H	α-helix	trans	-63.7	-34.6	177.5	-67.8	-74.5	0	0	0	112.6	M1 F2 G8	M1-F4 PolarHBondContact O-N 3.06Å; F2-F4 PolarHBondContact O-N 3.09Å; F4-G8 PolarHBondContact O-N 3.03Å
5	C	81.6	Confident	85.6	Confident	83 Å²	83	110.9 Å²	110.9	56%	0.561	59%	0.586	S	S	*	*	H	α-helix	trans	-67.7	-37.3	174.8	-63.3	0	0	0	0	112.4	M1 F2 S3 G8 T9	M1-C5 PolarHBondContact O-N 3.21Å; F2-C5 PolarHBondContact O-N 2.92Å; S3-C5 VanDerWaalsContact C-N 3.3Å; S3-C5 PolarHBondContact O-N 3.36Å; C5-G8 PolarHBondContact O-N 3Å; C5-T9 WeakPolarHBondContact O-CG2 3.41Å; C5-T9 PolarHBondContact O-N 3.22Å; C5-T9 PolarHBondContact O-OG1 3.03Å
6	L	87.9	Confident	85.6	Confident	119 Å²	119	112.3 Å²	112.3	62%	0.623	59%	0.587	S	S	*	*	H	α-helix	trans	-64.9	-43.3	175.9	-67.1	175.9	0	0	0	111.5	F2 S3 T9 L10	F2-L6 PolarHBondContact O-N 3.45Å; S3-L6 PolarHBondContact O-N 3.35Å; S3-L6 VanDerWaalsContact O-N 3.16Å; L6-T9 PolarHBondContact O-OG1 3.36Å; L6-T9 VanDerWaalsContact O-OG1 3.04Å; L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 PolarHBondContact O-N 2.91Å
7	Y	91.1	Very high	85.5	Confident	156 Å²	156	109.9 Å²	109.9	61%	0.612	58%	0.583	S	S	*	*	H	α-helix	trans	-66.1	-39	174.9	-67.9	-65.5	0	0	0	112.6	S3 L10 L11	S3-Y7 WeakPolarHBondContact O-CD2 3.48Å; S3-Y7 PolarHBondContact O-N 3.37Å; S3-Y7 VanDerWaalsContact O-N 3.13Å; S3-Y7 VanDerWaalsContact OG-CE2 3.28Å; S3-Y7 WeakPolarHBondContact OG-CE2 3.34Å; Y7-L10 PolarHBondContact O-N 3.46Å; Y7-L11 WeakPolarHBondContact O-CB 3.41Å; Y7-L11 PolarHBondContact O-N 3.31Å
8	G	90.3	Very high	85.3	Confident	34 Å²	34	109.2 Å²	109.2	35%	0.351	58%	0.583	S	S	.	*	H	α-helix	trans	-64.4	-43	177.3	0	0	0	0	0	113.2	F4 C5 L11 L12	F4-G8 PolarHBondContact O-N 3.03Å; C5-G8 PolarHBondContact O-N 3Å; G8-L11 WeakPolarHBondContact O-CB 3.24Å; G8-L11 PolarHBondContact O-N 3.44Å; G8-L12 WeakPolarHBondContact O-CG 3.42Å; G8-L12 PolarHBondContact O-N 2.99Å; G8-L12 VanDerWaalsContact O-N 3.07Å
9	T	89.7	Confident	84.9	Confident	74 Å²	74	107.9 Å²	107.9	45%	0.454	59%	0.59	S	S	.	*	H	α-helix	trans	-69.2	-39.2	175.8	50.7	0	0	0	0	112.3	C5 L6 L11 L12 I13	C5-T9 WeakPolarHBondContact O-CG2 3.41Å; C5-T9 PolarHBondContact O-N 3.22Å; C5-T9 PolarHBondContact O-OG1 3.03Å; L6-T9 PolarHBondContact O-OG1 3.36Å; L6-T9 VanDerWaalsContact O-OG1 3.04Å; T9-L11 VanDerWaalsContact C-N 3.31Å; T9-L11 PolarHBondContact O-N 3.22Å; T9-L12 PolarHBondContact O-N 3.42Å; T9-I13 WeakPolarHBondContact O-CG1 3.28Å; T9-I13 PolarHBondContact O-N 3.44Å
10	L	90.7	Very high	84.4	Confident	109 Å²	109	107.3 Å²	107.3	57%	0.571	59%	0.593	S	S	*	*	H	α-helix	trans	-60.4	-40.8	172.7	-178.9	69.8	0	0	0	111.6	L6 Y7 I13 C14	L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 PolarHBondContact O-N 2.91Å; Y7-L10 PolarHBondContact O-N 3.46Å; L10-I13 PolarHBondContact O-N 3.49Å; L10-C14 WeakPolarHBondContact O-CB 3.36Å; L10-C14 PolarHBondContact O-N 2.92Å
11	L	89.8	Confident	84.1	Confident	117 Å²	117	108.8 Å²	108.8	61%	0.613	59%	0.591	S	S	*	*	H	α-helix	trans	-61.8	-45.4	174.8	-172.9	111.1	0	0	0	111.4	Y7 G8 T9 C14 V15	Y7-L11 WeakPolarHBondContact O-CB 3.41Å; Y7-L11 PolarHBondContact O-N 3.31Å; G8-L11 WeakPolarHBondContact O-CB 3.24Å; G8-L11 PolarHBondContact O-N 3.44Å; T9-L11 VanDerWaalsContact C-N 3.31Å; T9-L11 PolarHBondContact O-N 3.22Å; L11-C14 WeakPolarHBondContact O-CB 3.23Å; L11-C14 PolarHBondContact O-N 3.43Å; L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.14Å; L11-V15 PolarHBondContact O-N 2.89Å
12	L	89.6	Confident	84.2	Confident	109 Å²	109	110.1 Å²	110.1	57%	0.571	59%	0.585	S	S	*	*	H	α-helix	trans	-63	-44.2	177.4	-70.8	174.6	0	0	0	112.5	G8 T9 C14 V15 Q16	G8-L12 WeakPolarHBondContact O-CG 3.42Å; G8-L12 PolarHBondContact O-N 2.99Å; G8-L12 VanDerWaalsContact O-N 3.07Å; T9-L12 PolarHBondContact O-N 3.42Å; L12-C14 VanDerWaalsContact C-N 3.34Å; L12-V15 PolarHBondContact O-N 3.26Å; L12-Q16 WeakPolarHBondContact O-CG 3.48Å; L12-Q16 PolarHBondContact O-N 3.26Å
13	I	88.9	Confident	84.2	Confident	102 Å²	102	107.8 Å²	107.8	52%	0.523	58%	0.575	S	S	.	*	H	α-helix	trans	-63.1	-42.6	175.8	-66.6	166.5	0	0	0	110.4	T9 L10 V15 Q16 S17	T9-I13 WeakPolarHBondContact O-CG1 3.28Å; T9-I13 PolarHBondContact O-N 3.44Å; L10-I13 PolarHBondContact O-N 3.49Å; I13-V15 PolarHBondContact O-N 3.34Å; I13-Q16 PolarHBondContact O-N 3.22Å; I13-S17 PolarHBondContact O-N 3.36Å; I13-S17 PolarHBondContact O-OG 3.34Å
14	C	87.7	Confident	84.2	Confident	68 Å²	68	105.5 Å²	105.5	46%	0.459	56%	0.561	S	S	.	*	H	α-helix	trans	-58.2	-48.5	176.1	-174.1	0	0	0	0	110.8	L10 L11 L12 Q16 S17 V18	L10-C14 WeakPolarHBondContact O-CB 3.36Å; L10-C14 PolarHBondContact O-N 2.92Å; L11-C14 WeakPolarHBondContact O-CB 3.23Å; L11-C14 PolarHBondContact O-N 3.43Å; L12-C14 VanDerWaalsContact C-N 3.34Å; C14-Q16 VanDerWaalsContact C-N 3.33Å; C14-Q16 PolarHBondContact O-N 2.87Å; C14-S17 PolarHBondContact O-N 3.46Å; C14-S17 VanDerWaalsContact O-N 3.13Å; C14-S17 PolarHBondContact O-OG 2.92Å; C14-V18 PolarHBondContact O-N 2.66Å
15	V	88.1	Confident	84.5	Confident	84 Å²	84	99.4 Å²	99.4	51%	0.509	54%	0.536	S	S	.	.	H	α-helix	trans	-59	-41.5	176.7	171.8	0	0	0	0	111.8	L11 L12 I13 V18 A19	L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.14Å; L11-V15 PolarHBondContact O-N 2.89Å; L12-V15 PolarHBondContact O-N 3.26Å; I13-V15 PolarHBondContact O-N 3.34Å; V15-V18 VanDerWaalsContact O-CG2 3.22Å; V15-V18 WeakPolarHBondContact O-CG2 3.45Å; V15-A19 WeakPolarHBondContact O-CB 3.4Å; V15-A19 PolarHBondContact O-N 3.4Å
16	Q	85.5	Confident	84.9	Confident	132 Å²	132	98.8 Å²	98.8	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-65.6	-38.4	175.8	-71.9	176.4	-24.7	0	0	112.7	L12 I13 C14 S20	L12-Q16 WeakPolarHBondContact O-CG 3.48Å; L12-Q16 PolarHBondContact O-N 3.26Å; I13-Q16 PolarHBondContact O-N 3.22Å; C14-Q16 VanDerWaalsContact C-N 3.33Å; C14-Q16 PolarHBondContact O-N 2.87Å; Q16-S20 PolarHBondContact O-N 2.93Å; Q16-S20 PolarHBondContact O-OG 2.91Å
17	S	84.2	Confident	85.2	Confident	72 Å²	72	95.7 Å²	95.7	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-69.2	-40.5	-179.4	71.1	0	0	0	0	112.9	I13 C14 S20 Y21	I13-S17 PolarHBondContact O-N 3.36Å; I13-S17 PolarHBondContact O-OG 3.34Å; C14-S17 PolarHBondContact O-N 3.46Å; C14-S17 VanDerWaalsContact O-N 3.13Å; C14-S17 PolarHBondContact O-OG 2.92Å; S17-S20 PolarHBondContact O-N 2.87Å; S17-Y21 PolarHBondContact O-N 3.33Å
18	V	81.2	Confident	85.4	Confident	97 Å²	97	88.3 Å²	88.3	59%	0.588	49%	0.488	S	S	*	.	H	α-helix	trans	-70.5	-34.8	177.1	-62	0	0	0	0	112	C14 V15 S20 Y21	C14-V18 PolarHBondContact O-N 2.66Å; V15-V18 VanDerWaalsContact O-CG2 3.22Å; V15-V18 WeakPolarHBondContact O-CG2 3.45Å; V18-S20 PolarHBondContact O-N 3.5Å; V18-Y21 WeakPolarHBondContact O-CB 3.26Å; V18-Y21 PolarHBondContact O-N 3.42Å
19	A	78.1	Confident	85.5	Confident	86 Å²	86	90.7 Å²	90.7	71%	0.711	49%	0.493	S	S	*	.	H	α-helix	trans	-67.5	-23.9	175.4	0	0	0	0	0	112.6	V15	V15-A19 WeakPolarHBondContact O-CB 3.4Å; V15-A19 PolarHBondContact O-N 3.4Å
20	S	75.3	Confident	85.8	Confident	94 Å²	94	90.7 Å²	90.7	66%	0.657	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	5.4	179.1	-55.7	0	0	0	0	113.6	Q16 S17 V18 R22	Q16-S20 PolarHBondContact O-N 2.93Å; Q16-S20 PolarHBondContact O-OG 2.91Å; S17-S20 PolarHBondContact O-N 2.87Å; V18-S20 PolarHBondContact O-N 3.5Å; S20-R22 PolarHBondContact O-N 3.37Å
21	Y	76.8	Confident	86	Confident	139 Å²	139	88.1 Å²	88.1	55%	0.545	48%	0.476	S	S	.	.			trans	-59.6	126.4	176.7	-175.9	-100.9	0	0	0	110.1	S17 V18 K23	S17-Y21 PolarHBondContact O-N 3.33Å; V18-Y21 WeakPolarHBondContact O-CB 3.26Å; V18-Y21 PolarHBondContact O-N 3.42Å; Y21-K23 PolarHBondContact O-N 3.03Å; Y21-K23 VanDerWaalsContact O-N 3.12Å
22	R	72	Confident	86.3	Confident	217 Å²	217	83.8 Å²	83.8	82%	0.819	45%	0.452	S	S	*	.			trans	-69.9	112.6	-179.2	-69	-156.6	-176.6	161.6	3.9	109.7	S20 G24	S20-R22 PolarHBondContact O-N 3.37Å; R22-G24 PolarHBondContact O-N 3.49Å
23	K	77.4	Confident	86.7	Confident	137 Å²	137	79 Å²	79	60%	0.596	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-60	122	162.7	-173.2	175.1	-179.8	179.7	0	107.9	Y21	Y21-K23 PolarHBondContact O-N 3.03Å; Y21-K23 VanDerWaalsContact O-N 3.12Å
24	G	80.2	Confident	87	Confident	15 Å²	15	77.9 Å²	77.9	16%	0.155	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-58.3	148	173.1	0	0	0	0	0	110.8	R22 S26	R22-G24 PolarHBondContact O-N 3.49Å; G24-S26 PolarHBondContact O-N 2.95Å
25	N	87.7	Confident	87.4	Confident	43 Å²	43	76.1 Å²	76.1	23%	0.23	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-76	117.9	175.1	-176.5	7.5	0	0	0	109.6	D27 C28	N25-D27 PolarHBondContact O-N 3.28Å; N25-D27 WeakPolarHBondContact OD1-CB 3.41Å; N25-D27 PolarHBondContact OD1-N 2.93Å; N25-D27 VanDerWaalsContact OD1-N 3.09Å; N25-D27 PolarHBondContact OD1-OD2 2.94Å; N25-C28 WeakPolarHBondContact O-CB 3.32Å; N25-C28 PolarHBondContact O-N 3.46Å
26	S	90.7	Very high	87.8	Confident	70 Å²	70	78.3 Å²	78.3	49%	0.49	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-64.3	-26.4	178.9	46.6	0	0	0	0	113.1	G24 C28 L29	G24-S26 PolarHBondContact O-N 2.95Å; S26-C28 PolarHBondContact O-N 3.17Å; S26-L29 PolarHBondContact O-N 3.4Å; S26-L29 VanDerWaalsContact O-N 3.09Å
27	D	94.8	Very high	88.4	Confident	55 Å²	55	74.5 Å²	74.5	29%	0.294	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-60.2	-31.9	178.7	-63.7	-24.2	0	0	0	111.8	N25 L29 L30 N66	N25-D27 PolarHBondContact O-N 3.28Å; N25-D27 WeakPolarHBondContact OD1-CB 3.41Å; N25-D27 PolarHBondContact OD1-N 2.93Å; N25-D27 VanDerWaalsContact OD1-N 3.09Å; N25-D27 PolarHBondContact OD1-OD2 2.94Å; D27-L29 PolarHBondContact O-N 2.91Å; D27-L29 VanDerWaalsContact O-N 3.09Å; D27-L30 WeakPolarHBondContact O-CB 3.47Å; D27-L30 PolarHBondContact O-N 3.45Å; D27-N66 VanDerWaalsContact O-CB 3.29Å; D27-N66 WeakPolarHBondContact O-CB 2.84Å
28	C	95.4	Very high	89	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-66.2	-11.6	180	-52	0	0	0	0	113.6	N25 S26 Y46 C78 I82	N25-C28 WeakPolarHBondContact O-CB 3.32Å; N25-C28 PolarHBondContact O-N 3.46Å; S26-C28 PolarHBondContact O-N 3.17Å; C28-Y46 HydrophobicContact CB-CD1 3.93Å; C28-Y46 HydrophobicContact CB-CG 4.4Å; C28-Y46 WeakPolarHBondContact O-CD1 3.36Å; C28-C78 HydrophobicContact CB-CB 3.64Å; C28-C78 WeakPolarHBondContact CB-SG 3.48Å; C28-C78 WeakPolarHBondContact SG-CA 3.37Å; C28-C78 WeakPolarHBondContact SG-CB 3.29Å; C28-C78 CovalentContact SG-SG 2.03Å; C28-C78 PolarHBondContact SG-SG 3.09Å; C28-I82 HydrophobicContact CB-CD1 4.23Å
29	L	92.6	Very high	89.7	Confident	85 Å²	85	80.1 Å²	80.1	45%	0.445	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-96.1	-10.9	176.4	-61.1	178.9	0	0	0	112.9	S26 D27 I82 M84	S26-L29 PolarHBondContact O-N 3.4Å; S26-L29 VanDerWaalsContact O-N 3.09Å; D27-L29 PolarHBondContact O-N 2.91Å; D27-L29 VanDerWaalsContact O-N 3.09Å; L29-I82 HydrophobicContact CD1-CG2 4.16Å; L29-I82 HydrophobicContact CD2-CG2 3.81Å; L29-I82 HydrophobicContact CG-CG2 3.96Å; L29-M84 HydrophobicContact CD1-CE 3.77Å; L29-M84 HydrophobicContact CD1-CG 3.65Å; L29-M84 HydrophobicContact CD1-SD 4.44Å; L29-M84 HydrophobicContact CG-CE 4.45Å
30	L	95.4	Very high	90.6	Very high	74 Å²	74	80.8 Å²	80.8	39%	0.387	41%	0.41	S	S	.	.	S	Bend	trans	-75.8	153.9	177.5	-56.2	176.6	0	0	0	109.9	D27 N64 N66	D27-L30 WeakPolarHBondContact O-CB 3.47Å; D27-L30 PolarHBondContact O-N 3.45Å; L30-N64 HydrophobicContact CD1-CB 4.03Å; L30-N66 HydrophobicContact CB-CB 4.28Å; L30-N66 PolarHBondContact O-ND2 3.23Å
31	D	95.6	Very high	91.6	Very high	55 Å²	55	79.1 Å²	79.1	29%	0.294	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-69.8	164.8	165.8	-163.1	29.9	0	0	0	110.6	G33 N64 S119 V120	D31-G33 PolarHBondContact O-N 3.41Å; D31-N64 PolarHBondContact O-ND2 3.49Å; D31-N64 PolarHBondContact O-OD1 3.33Å; D31-S119 VanDerWaalsContact CG-CB 3.49Å; D31-S119 VanDerWaalsContact OD1-CA 3.25Å; D31-S119 WeakPolarHBondContact OD1-CA 3.44Å; D31-S119 WeakPolarHBondContact OD2-CA 3.14Å; D31-S119 WeakPolarHBondContact OD2-CB 3.34Å; D31-V120 PolarHBondContact OD1-N 3Å
32	Y	96.1	Very high	92.6	Very high	25 Å²	25	78.1 Å²	78.1	10%	0.098	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-65.2	133.6	174.7	64.2	-92.6	0	0	0	111.2	Y45 F56 K116 P117	Y32-Y45 HydrophobicContact CD1-CD1 4.3Å; Y32-Y45 HydrophobicContact CD1-CD2 4.15Å; Y32-Y45 AromaticContact CD1-CE1 3.92Å; Y32-Y45 HydrophobicContact CD1-CE1 3.92Å; Y32-Y45 AromaticContact CD1-CE2 3.77Å; Y32-Y45 HydrophobicContact CD1-CE2 3.77Å; Y32-Y45 HydrophobicContact CD1-CG 4.4Å; Y32-Y45 AromaticContact CD1-CZ 3.63Å; Y32-Y45 HydrophobicContact CG-CD1 4.39Å; Y32-Y45 HydrophobicContact CG-CD2 4.49Å; Y32-Y45 HydrophobicContact CG-CE1 4.42Å; Y32-Y45 HydrophobicContact CG-CG 4.42Å; Y32-F56 HydrophobicContact CD2-CB 4.11Å; Y32-F56 AromaticContact CD2-CD2 3.76Å; Y32-F56 HydrophobicContact CD2-CD2 3.76Å; Y32-F56 HydrophobicContact CD2-CE2 4.49Å; Y32-F56 HydrophobicContact CD2-CG 4.16Å; Y32-F56 HydrophobicContact CG-CB 4.11Å; Y32-F56 HydrophobicContact CG-CD2 4.1Å; Y32-F56 HydrophobicContact CG-CG 4.13Å; Y32-K116 WeakPolarHBondContact OH-CE 3.43Å; Y32-P117 HydrophobicContact CD1-CG 4.42Å; Y32-P117 HydrophobicContact CE1-CB 4.38Å; Y32-P117 HydrophobicContact CE1-CG 3.95Å; Y32-P117 WeakPolarHBondContact CE1-O 3.21Å; Y32-P117 VanDerWaalsContact CZ-O 3.28Å; Y32-P117 PolarHBondContact OH-O 2.78Å
33	G	96.7	Very high	93.8	Very high	10 Å²	10	70.3 Å²	70.3	10%	0.103	36%	0.363	C	S	.	.			trans	-99.3	96.8	179.5	0	0	0	0	0	112.3	D31 G35 Y58 G63	D31-G33 PolarHBondContact O-N 3.41Å; G33-G35 VanDerWaalsContact C-N 3.31Å; G33-Y58 VanDerWaalsContact O-CD2 3.28Å; G33-Y58 WeakPolarHBondContact O-CD2 3.34Å; G33-G63 WeakPolarHBondContact O-CA 3.49Å
34	E	95.9	Very high	94.8	Very high	77 Å²	77	65 Å²	65	36%	0.36	34%	0.339	S	S	.	.			trans	-64	-37.4	173.8	-175.3	171	-173.6	0	0	111.6	Y58 G59 K116	E34-Y58 VanDerWaalsContact O-CD2 3.28Å; E34-Y58 WeakPolarHBondContact O-CD2 3.32Å; E34-G59 VanDerWaalsContact O-CA 3.23Å; E34-G59 WeakPolarHBondContact O-CA 3.4Å; E34-G59 PolarHBondContact O-N 2.95Å; E34-K116 VanDerWaalsContact OE2-CE 3.24Å; E34-K116 WeakPolarHBondContact OE2-CE 3.37Å; E34-K116 IonicContact OE2-NZ 2.66Å; E34-K116 PolarHBondContact OE2-NZ 3.17Å
35	G	96.6	Very high	95.7	Very high	31 Å²	31	64.3 Å²	64.3	32%	0.32	33%	0.332	S	S	.	.			trans	78.7	-173.8	-177.3	0	0	0	0	0	113.4	G33 C61 L62	G33-G35 VanDerWaalsContact C-N 3.31Å; G35-C61 WeakPolarHBondContact CA-O 3.24Å; G35-L62 WeakPolarHBondContact CA-O 3.21Å
36	I	96.2	Very high	96.1	Very high	130 Å²	130	63.1 Å²	63.1	67%	0.667	32%	0.324	S	S	*	.	S	Bend	trans	-94.2	-16.4	-174.3	70.5	171.1	0	0	0	113.8	C61 L62	I36-C61 PolarHBondContact N-O 3.14Å; I36-L62 HydrophobicContact CD1-CD1 3.56Å; I36-L62 HydrophobicContact CG1-CD1 3.79Å; I36-L62 HydrophobicContact CG1-CG 4.42Å; I36-L62 HydrophobicContact CG2-CD1 4.39Å
37	C	98.3	Very high	96.3	Very high	53 Å²	53	59.8 Å²	59.8	36%	0.358	30%	0.301	S	S	.	.	S	Bend	trans	-77	164.4	178.3	-71.8	0	0	0	0	110.7	G59 C61	C37-G59 CarbonylContact C-O 3.6Å; C37-G59 WeakPolarHBondContact CB-O 3.38Å; C37-G59 WeakPolarHBondContact O-CA 3.27Å; C37-C61 HydrophobicContact CB-CB 3.87Å; C37-C61 WeakPolarHBondContact CB-SG 3.39Å; C37-C61 PolarHBondContact N-SG 3.19Å; C37-C61 VanDerWaalsContact N-SG 3.42Å; C37-C61 WeakPolarHBondContact SG-CB 3.25Å; C37-C61 CovalentContact SG-SG 2.02Å; C37-C61 PolarHBondContact SG-SG 3.36Å
38	R	96	Very high	96.2	Very high	245 Å²	245	59.1 Å²	59.1	93%	0.925	30%	0.301	S	S	*	.			trans	-117.8	23.5	-169.4	-58.4	-178.2	-176.8	176	0.1	113.7	G59	R38-G59 PolarHBondContact N-O 2.96Å
39	A	96.9	Very high	96	Very high	42 Å²	42	62.3 Å²	62.3	35%	0.347	32%	0.32	S	S	.	.			trans	-72.2	160.5	169.8	0	0	0	0	0	110.5	L41 G59	A39-L41 HydrophobicContact CB-CD1 4.38Å; A39-L41 HydrophobicContact CB-CD2 4.37Å; A39-L41 HydrophobicContact CB-CG 3.95Å; A39-G59 WeakPolarHBondContact CB-O 3.34Å; A39-G59 PolarHBondContact N-O 2.8Å; A39-G59 WeakPolarHBondContact O-CA 3.41Å
40	L	96	Very high	96	Very high	99 Å²	99	62.3 Å²	62.3	52%	0.518	32%	0.321	S	S	.	.			trans	-114.4	67.2	176	-68.8	176	0	0	0	109.9	Y57	L40-Y57 HydrophobicContact CB-CD1 4.48Å
41	L	97.2	Very high	95.9	Very high	60 Å²	60	65.9 Å²	65.9	31%	0.314	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	113.4	-177.8	-54.5	178	0	0	0	109.7	A39 R43 Y57 Y58	A39-L41 HydrophobicContact CB-CD1 4.38Å; A39-L41 HydrophobicContact CB-CD2 4.37Å; A39-L41 HydrophobicContact CB-CG 3.95Å; L41-R43 PolarHBondContact O-N 3.3Å; L41-Y57 CarbonylContact O-C 3.59Å; L41-Y57 WeakPolarHBondContact O-CA 3.24Å; L41-Y58 WeakPolarHBondContact CB-O 3.2Å; L41-Y58 HydrophobicContact CD1-CD1 4.16Å; L41-Y58 PolarHBondContact N-O 2.85Å; L41-Y58 VanDerWaalsContact N-O 3.08Å; L41-Y58 PolarHBondContact O-N 2.73Å
42	K	96.9	Very high	95.9	Very high	118 Å²	118	66.2 Å²	66.2	51%	0.513	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	124.1	173.2	-178.5	-177	176.6	-179.8	0	109.8	I55 Y57	K42-I55 HydrophobicContact CG-CG2 4Å; K42-Y57 HydrophobicContact CB-CE1 4.28Å
43	R	98.2	Very high	95.9	Very high	53 Å²	53	65.6 Å²	65.6	20%	0.2	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	167.8	176.6	-63.7	-63.3	174.5	86.3	-2.5	109.9	L41 I55 F56 Y58 N67 F68	L41-R43 PolarHBondContact O-N 3.3Å; R43-I55 WeakPolarHBondContact O-CA 3.01Å; R43-F56 HydrophobicContact CB-CD1 3.92Å; R43-F56 HydrophobicContact CB-CE1 3.39Å; R43-F56 HydrophobicContact CB-CE2 4.42Å; R43-F56 HydrophobicContact CB-CZ 3.7Å; R43-F56 HydrophobicContact CG-CZ 4.46Å; R43-F56 PolarHBondContact N-O 2.03Å; R43-F56 PolarHBondContact O-N 2.86Å; R43-F56 VanDerWaalsContact O-O 3.07Å; R43-Y58 HydrophobicContact CG-CG 4.44Å; R43-N67 WeakPolarHBondContact CB-OD1 3.41Å; R43-N67 WeakPolarHBondContact CD-OD1 3.06Å; R43-N67 WeakPolarHBondContact CG-OD1 3.28Å; R43-N67 PolarHBondContact NH1-OD1 3.48Å; R43-F68 WeakPolarHBondContact CA-O 3.34Å
44	F	98.1	Very high	95.9	Very high	25 Å²	25	67.6 Å²	67.6	11%	0.11	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.2	175.5	-63.4	-94	0	0	0	109.6	E54 I55 F68 K71 C74	F44-E54 CarbonylContact C-O 3.54Å; F44-E54 VanDerWaalsContact CA-O 3.27Å; F44-E54 WeakPolarHBondContact CA-O 3.27Å; F44-I55 HydrophobicContact CD1-CG1 3.95Å; F44-I55 HydrophobicContact CE1-CD1 4.24Å; F44-I55 HydrophobicContact CE1-CG1 3.5Å; F44-I55 HydrophobicContact CZ-CG1 4.11Å; F44-F68 HydrophobicContact CB-CB 4.35Å; F44-F68 PolarHBondContact N-O 3.43Å; F44-F68 VanDerWaalsContact O-CD2 3.28Å; F44-F68 WeakPolarHBondContact O-CD2 2.99Å; F44-F68 PolarHBondContact O-N 2.96Å; F44-K71 HydrophobicContact CD1-CB 3.83Å; F44-K71 HydrophobicContact CD1-CG 4.35Å; F44-K71 HydrophobicContact CE1-CB 3.66Å; F44-K71 HydrophobicContact CE1-CG 4.35Å; F44-K71 HydrophobicContact CG-CB 4.35Å; F44-K71 HydrophobicContact CZ-CB 4.05Å; F44-C74 HydrophobicContact CB-CB 4.09Å
45	Y	97.6	Very high	96	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.5	171.3	80.8	-76.8	0	0	0	109	Y32 D47 C53 E54 F56 N66 P117 V120	Y32-Y45 HydrophobicContact CD1-CD1 4.3Å; Y32-Y45 HydrophobicContact CD1-CD2 4.15Å; Y32-Y45 AromaticContact CD1-CE1 3.92Å; Y32-Y45 HydrophobicContact CD1-CE1 3.92Å; Y32-Y45 AromaticContact CD1-CE2 3.77Å; Y32-Y45 HydrophobicContact CD1-CE2 3.77Å; Y32-Y45 HydrophobicContact CD1-CG 4.4Å; Y32-Y45 AromaticContact CD1-CZ 3.63Å; Y32-Y45 HydrophobicContact CG-CD1 4.39Å; Y32-Y45 HydrophobicContact CG-CD2 4.49Å; Y32-Y45 HydrophobicContact CG-CE1 4.42Å; Y32-Y45 HydrophobicContact CG-CG 4.42Å; Y45-D47 HydrophobicContact CE2-CB 4.09Å; Y45-C53 CarbonylContact O-C 3.2Å; Y45-C53 WeakPolarHBondContact O-CA 3.5Å; Y45-E54 HydrophobicContact CD1-CB 4.14Å; Y45-E54 WeakPolarHBondContact CD1-O 2.97Å; Y45-E54 HydrophobicContact CE1-CB 3.59Å; Y45-E54 PolarHBondContact N-O 2.91Å; Y45-E54 PolarHBondContact O-N 3.22Å; Y45-E54 PolarHBondContact OH-OE2 3Å; Y45-F56 HydrophobicContact CD1-CB 3.9Å; Y45-F56 AromaticContact CD1-CD1 3.7Å; Y45-F56 HydrophobicContact CD1-CD1 3.7Å; Y45-F56 HydrophobicContact CD1-CG 4.1Å; Y45-F56 HydrophobicContact CE1-CB 4.2Å; Y45-F56 HydrophobicContact CG-CD1 4.11Å; Y45-N66 WeakPolarHBondContact CA-OD1 3.35Å; Y45-N66 VanDerWaalsContact CB-O 3.29Å; Y45-N66 WeakPolarHBondContact CB-O 3.17Å; Y45-P117 HydrophobicContact CE1-CB 4.22Å; Y45-P117 HydrophobicContact CE1-CG 4.17Å; Y45-V120 HydrophobicContact CE2-CG2 4.33Å
46	Y	96.6	Very high	96	Very high	18 Å²	18	65.9 Å²	65.9	7%	0.071	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119	173.3	-173.5	-105.8	0	0	0	109.9	C28 N66 C78	C28-Y46 HydrophobicContact CB-CD1 3.93Å; C28-Y46 HydrophobicContact CB-CG 4.4Å; C28-Y46 WeakPolarHBondContact O-CD1 3.36Å; Y46-N66 PolarHBondContact N-OD1 2.73Å; Y46-N66 PolarHBondContact O-ND2 3.42Å; Y46-C78 HydrophobicContact CD1-CB 3.86Å; Y46-C78 HydrophobicContact CD2-CB 3.39Å; Y46-C78 HydrophobicContact CE1-CB 4.34Å; Y46-C78 HydrophobicContact CE2-CB 3.95Å; Y46-C78 HydrophobicContact CG-CB 3.32Å
47	D	95.7	Very high	96	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.9	167.3	-179.1	-6.2	0	0	0	109.3	Y45 V49 N50 Q51 T52 E54 K123	Y45-D47 HydrophobicContact CE2-CB 4.09Å; D47-V49 VanDerWaalsContact C-N 3.3Å; D47-V49 PolarHBondContact O-N 3.44Å; D47-V49 WeakPolarHBondContact OD1-CB 3.33Å; D47-V49 PolarHBondContact OD1-N 2.6Å; D47-N50 PolarHBondContact OD1-N 2.73Å; D47-N50 PolarHBondContact OD2-ND2 3.23Å; D47-Q51 WeakPolarHBondContact O-CA 3.48Å; D47-Q51 PolarHBondContact O-N 2.58Å; D47-T52 PolarHBondContact N-O 3.36Å; D47-T52 PolarHBondContact O-N 3.46Å; D47-E54 HydrophobicContact CB-CG 4.42Å; D47-K123 VanDerWaalsContact OD2-CD 3.24Å; D47-K123 WeakPolarHBondContact OD2-CD 3.36Å; D47-K123 WeakPolarHBondContact OD2-CE 3.24Å; D47-K123 IonicContact OD2-NZ 2.75Å; D47-K123 PolarHBondContact OD2-NZ 2.85Å
48	S	92.2	Very high	95.9	Very high	41 Å²	41	61.7 Å²	61.7	29%	0.287	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.3	-179.5	60	0	0	0	0	114.3
49	V	91.9	Very high	96	Very high	67 Å²	67	50.1 Å²	50.1	41%	0.406	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-47.9	176.1	173.8	0	0	0	0	110.1	D47 V120 I124	D47-V49 VanDerWaalsContact C-N 3.3Å; D47-V49 PolarHBondContact O-N 3.44Å; D47-V49 WeakPolarHBondContact OD1-CB 3.33Å; D47-V49 PolarHBondContact OD1-N 2.6Å; V49-V120 HydrophobicContact CG2-CG1 3.77Å; V49-I124 HydrophobicContact CG2-CD1 4.06Å; V49-I124 HydrophobicContact CG2-CG1 3.55Å
50	N	92.9	Very high	96	Very high	86 Å²	86	49.7 Å²	49.7	46%	0.46	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.1	179.8	-66.3	-54.7	0	0	0	113.1	D47 T52	D47-N50 PolarHBondContact OD1-N 2.73Å; D47-N50 PolarHBondContact OD2-ND2 3.23Å; N50-T52 WeakPolarHBondContact CB-OG1 3.36Å; N50-T52 PolarHBondContact O-N 3.16Å
51	Q	92.6	Very high	96.1	Very high	148 Å²	148	46.5 Å²	46.5	69%	0.692	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	38.9	-175.2	-56.8	-179.4	-12.4	0	0	112.5	D47	D47-Q51 WeakPolarHBondContact O-CA 3.48Å; D47-Q51 PolarHBondContact O-N 2.58Å
52	T	94.9	Very high	96.1	Very high	63 Å²	63	49.9 Å²	49.9	39%	0.387	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.6	-175.6	50.3	0	0	0	0	111.5	D47 N50	D47-T52 PolarHBondContact N-O 3.36Å; D47-T52 PolarHBondContact O-N 3.46Å; N50-T52 WeakPolarHBondContact CB-OG1 3.36Å; N50-T52 PolarHBondContact O-N 3.16Å
53	C	97.3	Very high	96.1	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.074	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.5	167.5	-70.3	0	0	0	0	110.4	Y45 K71 C74 E75	Y45-C53 CarbonylContact O-C 3.2Å; Y45-C53 WeakPolarHBondContact O-CA 3.5Å; C53-K71 HydrophobicContact CB-CG 4.16Å; C53-C74 HydrophobicContact CB-CB 3.73Å; C53-C74 WeakPolarHBondContact CB-SG 2.83Å; C53-C74 WeakPolarHBondContact SG-CB 3.38Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 3.01Å; C53-E75 HydrophobicContact CB-CG 4.07Å; C53-E75 PolarHBondContact SG-N 3.24Å
54	E	96.1	Very high	96.1	Very high	52 Å²	52	45.7 Å²	45.7	24%	0.243	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	157.6	-178.5	-68.3	-173.3	-168.8	0	0	111.2	F44 Y45 D47 K123	F44-E54 CarbonylContact C-O 3.54Å; F44-E54 VanDerWaalsContact CA-O 3.27Å; F44-E54 WeakPolarHBondContact CA-O 3.27Å; Y45-E54 HydrophobicContact CD1-CB 4.14Å; Y45-E54 WeakPolarHBondContact CD1-O 2.97Å; Y45-E54 HydrophobicContact CE1-CB 3.59Å; Y45-E54 PolarHBondContact N-O 2.91Å; Y45-E54 PolarHBondContact O-N 3.22Å; Y45-E54 PolarHBondContact OH-OE2 3Å; D47-E54 HydrophobicContact CB-CG 4.42Å; E54-K123 IonicContact OE1-NZ 2.6Å; E54-K123 PolarHBondContact OE1-NZ 3.4Å; E54-K123 IonicContact OE2-NZ 2.96Å; E54-K123 PolarHBondContact OE2-NZ 3.23Å
55	I	96.8	Very high	96	Very high	72 Å²	72	46 Å²	46	37%	0.369	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	137.1	176.9	-65.6	164.3	0	0	0	109.2	K42 R43 F44	K42-I55 HydrophobicContact CG-CG2 4Å; R43-I55 WeakPolarHBondContact O-CA 3.01Å; F44-I55 HydrophobicContact CD1-CG1 3.95Å; F44-I55 HydrophobicContact CE1-CD1 4.24Å; F44-I55 HydrophobicContact CE1-CG1 3.5Å; F44-I55 HydrophobicContact CZ-CG1 4.11Å
56	F	97.1	Very high	96	Very high	1 Å²	1	46 Å²	46	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	171.1	162.1	79.2	-72.6	0	0	0	110	Y32 R43 Y45 N67 P117	Y32-F56 HydrophobicContact CD2-CB 4.11Å; Y32-F56 AromaticContact CD2-CD2 3.76Å; Y32-F56 HydrophobicContact CD2-CD2 3.76Å; Y32-F56 HydrophobicContact CD2-CE2 4.49Å; Y32-F56 HydrophobicContact CD2-CG 4.16Å; Y32-F56 HydrophobicContact CG-CB 4.11Å; Y32-F56 HydrophobicContact CG-CD2 4.1Å; Y32-F56 HydrophobicContact CG-CG 4.13Å; R43-F56 HydrophobicContact CB-CD1 3.92Å; R43-F56 HydrophobicContact CB-CE1 3.39Å; R43-F56 HydrophobicContact CB-CE2 4.42Å; R43-F56 HydrophobicContact CB-CZ 3.7Å; R43-F56 HydrophobicContact CG-CZ 4.46Å; R43-F56 PolarHBondContact N-O 2.03Å; R43-F56 PolarHBondContact O-N 2.86Å; R43-F56 VanDerWaalsContact O-O 3.07Å; Y45-F56 HydrophobicContact CD1-CB 3.9Å; Y45-F56 AromaticContact CD1-CD1 3.7Å; Y45-F56 HydrophobicContact CD1-CD1 3.7Å; Y45-F56 HydrophobicContact CD1-CG 4.1Å; Y45-F56 HydrophobicContact CE1-CB 4.2Å; Y45-F56 HydrophobicContact CG-CD1 4.11Å; F56-N67 HydrophobicContact CE1-CB 4.45Å; F56-N67 HydrophobicContact CZ-CB 3.89Å; F56-P117 HydrophobicContact CB-CG 4.02Å
57	Y	96.5	Very high	96.1	Very high	64 Å²	64	46.3 Å²	46.3	25%	0.251	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.2	175.5	-65.9	-83.2	0	0	0	109.6	L40 L41 K42	L40-Y57 HydrophobicContact CB-CD1 4.48Å; L41-Y57 CarbonylContact O-C 3.59Å; L41-Y57 WeakPolarHBondContact O-CA 3.24Å; K42-Y57 HydrophobicContact CB-CE1 4.28Å
58	Y	97.3	Very high	96.2	Very high	31 Å²	31	46.5 Å²	46.5	12%	0.122	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.5	176.6	175.9	-134.1	0	0	0	110.1	G33 E34 L41 R43 G60 C61 L62 G63 N67	G33-Y58 VanDerWaalsContact O-CD2 3.28Å; G33-Y58 WeakPolarHBondContact O-CD2 3.34Å; E34-Y58 VanDerWaalsContact O-CD2 3.28Å; E34-Y58 WeakPolarHBondContact O-CD2 3.32Å; L41-Y58 WeakPolarHBondContact CB-O 3.2Å; L41-Y58 HydrophobicContact CD1-CD1 4.16Å; L41-Y58 PolarHBondContact N-O 2.85Å; L41-Y58 VanDerWaalsContact N-O 3.08Å; L41-Y58 PolarHBondContact O-N 2.73Å; R43-Y58 HydrophobicContact CG-CG 4.44Å; Y58-G60 VanDerWaalsContact CE1-C 3.46Å; Y58-G60 VanDerWaalsContact CE1-CA 3.4Å; Y58-G60 PolarHBondContact O-N 2.75Å; Y58-G60 VanDerWaalsContact O-N 3.17Å; Y58-G60 PolarHBondContact OH-O 2.72Å; Y58-C61 WeakPolarHBondContact OH-CA 3.42Å; Y58-C61 PolarHBondContact OH-N 2.84Å; Y58-L62 PolarHBondContact OH-N 2.96Å; Y58-G63 VanDerWaalsContact CE2-CA 3.48Å; Y58-G63 PolarHBondContact OH-N 2.94Å; Y58-N67 WeakPolarHBondContact CD1-ND2 3.38Å; Y58-N67 WeakPolarHBondContact CD2-ND2 3.43Å
59	G	96.7	Very high	96.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	29%	0.285	C	S	.	.			trans	-63.7	-15.5	177.5	0	0	0	0	0	114.2	E34 C37 R38 A39	E34-G59 VanDerWaalsContact O-CA 3.23Å; E34-G59 WeakPolarHBondContact O-CA 3.4Å; E34-G59 PolarHBondContact O-N 2.95Å; C37-G59 CarbonylContact C-O 3.6Å; C37-G59 WeakPolarHBondContact CB-O 3.38Å; C37-G59 WeakPolarHBondContact O-CA 3.27Å; R38-G59 PolarHBondContact N-O 2.96Å; A39-G59 WeakPolarHBondContact CB-O 3.34Å; A39-G59 PolarHBondContact N-O 2.8Å; A39-G59 WeakPolarHBondContact O-CA 3.41Å
60	G	97.3	Very high	96.7	Very high	34 Å²	34	49.2 Å²	49.2	35%	0.351	28%	0.278	S	S	.	.	S	Bend	trans	101.2	-12.6	173.7	0	0	0	0	0	115.1	Y58	Y58-G60 VanDerWaalsContact CE1-C 3.46Å; Y58-G60 VanDerWaalsContact CE1-CA 3.4Å; Y58-G60 PolarHBondContact O-N 2.75Å; Y58-G60 VanDerWaalsContact O-N 3.17Å; Y58-G60 PolarHBondContact OH-O 2.72Å
61	C	98.3	Very high	97	Very high	32 Å²	32	49.5 Å²	49.5	22%	0.216	28%	0.276	C	S	.	.	S	Bend	trans	-146.1	153.9	173.7	76.5	0	0	0	0	112	G35 I36 C37 Y58 G63	G35-C61 WeakPolarHBondContact CA-O 3.24Å; I36-C61 PolarHBondContact N-O 3.14Å; C37-C61 HydrophobicContact CB-CB 3.87Å; C37-C61 WeakPolarHBondContact CB-SG 3.39Å; C37-C61 PolarHBondContact N-SG 3.19Å; C37-C61 VanDerWaalsContact N-SG 3.42Å; C37-C61 WeakPolarHBondContact SG-CB 3.25Å; C37-C61 CovalentContact SG-SG 2.02Å; C37-C61 PolarHBondContact SG-SG 3.36Å; Y58-C61 WeakPolarHBondContact OH-CA 3.42Å; Y58-C61 PolarHBondContact OH-N 2.84Å; C61-G63 PolarHBondContact O-N 3.44Å
62	L	97.3	Very high	97.2	Very high	130 Å²	130	48.3 Å²	48.3	68%	0.681	27%	0.27	S	S	*	.	S	Bend	trans	54.6	33	175.8	-54.1	-176.5	0	0	0	114.4	G35 I36 Y58	G35-L62 WeakPolarHBondContact CA-O 3.21Å; I36-L62 HydrophobicContact CD1-CD1 3.56Å; I36-L62 HydrophobicContact CG1-CD1 3.79Å; I36-L62 HydrophobicContact CG1-CG 4.42Å; I36-L62 HydrophobicContact CG2-CD1 4.39Å; Y58-L62 PolarHBondContact OH-N 2.96Å
63	G	96.4	Very high	97.3	Very high	29 Å²	29	47.6 Å²	47.6	30%	0.299	26%	0.262	S	S	.	.			trans	-77.2	177.8	164.5	0	0	0	0	0	111.3	G33 Y58 C61	G33-G63 WeakPolarHBondContact O-CA 3.49Å; Y58-G63 VanDerWaalsContact CE2-CA 3.48Å; Y58-G63 PolarHBondContact OH-N 2.94Å; C61-G63 PolarHBondContact O-N 3.44Å
64	N	97.5	Very high	97.4	Very high	55 Å²	55	47 Å²	47	29%	0.294	26%	0.259	S	S	.	.			trans	-106.3	-177.7	173.7	64.7	36.4	0	0	0	111.2	L30 D31 N66 N67	L30-N64 HydrophobicContact CD1-CB 4.03Å; D31-N64 PolarHBondContact O-ND2 3.49Å; D31-N64 PolarHBondContact O-OD1 3.33Å; N64-N66 VanDerWaalsContact C-N 3.27Å; N64-N66 PolarHBondContact O-N 3.42Å; N64-N66 PolarHBondContact OD1-N 2.92Å; N64-N66 VanDerWaalsContact OD1-N 3.07Å; N64-N67 WeakPolarHBondContact O-CB 3.18Å
65	G	96.8	Very high	97.3	Very high	30 Å²	30	48.7 Å²	48.7	31%	0.309	27%	0.266	S	S	.	.	S	Bend	trans	-71.1	-12.5	-176	0	0	0	0	0	115.6	N67	G65-N67 PolarHBondContact O-N 2.9Å
66	N	97.7	Very high	97.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.			trans	-79.5	58.8	174.9	-158.3	3	0	0	0	110.7	D27 L30 Y45 Y46 N64 F68	D27-N66 VanDerWaalsContact O-CB 3.29Å; D27-N66 WeakPolarHBondContact O-CB 2.84Å; L30-N66 HydrophobicContact CB-CB 4.28Å; L30-N66 PolarHBondContact O-ND2 3.23Å; Y45-N66 WeakPolarHBondContact CA-OD1 3.35Å; Y45-N66 VanDerWaalsContact CB-O 3.29Å; Y45-N66 WeakPolarHBondContact CB-O 3.17Å; Y46-N66 PolarHBondContact N-OD1 2.73Å; Y46-N66 PolarHBondContact O-ND2 3.42Å; N64-N66 VanDerWaalsContact C-N 3.27Å; N64-N66 PolarHBondContact O-N 3.42Å; N64-N66 PolarHBondContact OD1-N 2.92Å; N64-N66 VanDerWaalsContact OD1-N 3.07Å; N66-F68 WeakPolarHBondContact OD1-CE2 3.38Å
67	N	98	Very high	97.1	Very high	26 Å²	26	57.5 Å²	57.5	14%	0.139	30%	0.297	C	S	.	.			trans	-150.7	100.7	-167.7	-173.5	-31.6	0	0	0	109.7	R43 F56 Y58 N64 G65	R43-N67 WeakPolarHBondContact CB-OD1 3.41Å; R43-N67 WeakPolarHBondContact CD-OD1 3.06Å; R43-N67 WeakPolarHBondContact CG-OD1 3.28Å; R43-N67 PolarHBondContact NH1-OD1 3.48Å; F56-N67 HydrophobicContact CE1-CB 4.45Å; F56-N67 HydrophobicContact CZ-CB 3.89Å; Y58-N67 WeakPolarHBondContact CD1-ND2 3.38Å; Y58-N67 WeakPolarHBondContact CD2-ND2 3.43Å; N64-N67 WeakPolarHBondContact O-CB 3.18Å; G65-N67 PolarHBondContact O-N 2.9Å
68	F	98.3	Very high	97	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.018	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-118.2	149.6	-174.3	-51.8	-70.1	0	0	0	111.3	R43 F44 N66 E73 C74 K77	R43-F68 WeakPolarHBondContact CA-O 3.34Å; F44-F68 HydrophobicContact CB-CB 4.35Å; F44-F68 PolarHBondContact N-O 3.43Å; F44-F68 VanDerWaalsContact O-CD2 3.28Å; F44-F68 WeakPolarHBondContact O-CD2 2.99Å; F44-F68 PolarHBondContact O-N 2.96Å; N66-F68 WeakPolarHBondContact OD1-CE2 3.38Å; F68-E73 HydrophobicContact CB-CB 4.39Å; F68-E73 HydrophobicContact CD1-CG 4.33Å; F68-C74 HydrophobicContact CB-CB 3.89Å; F68-C74 HydrophobicContact CD2-CB 3.34Å; F68-C74 VanDerWaalsContact CD2-SG 3.59Å; F68-C74 HydrophobicContact CE2-CB 4.09Å; F68-C74 HydrophobicContact CG-CB 3.76Å; F68-K77 HydrophobicContact CD1-CD 3.79Å; F68-K77 HydrophobicContact CE1-CB 4.3Å; F68-K77 HydrophobicContact CE1-CD 3.32Å; F68-K77 HydrophobicContact CE1-CG 4.44Å; F68-K77 HydrophobicContact CZ-CB 4.42Å; F68-K77 HydrophobicContact CZ-CD 4.2Å
69	L	97.8	Very high	96.6	Very high	125 Å²	125	55.5 Å²	55.5	65%	0.654	31%	0.306	S	S	*	.	S	Bend	trans	-77.4	-28.8	-178.3	-71.8	172	0	0	0	112.5	E73	L69-E73 PolarHBondContact N-OE2 3.39Å
70	S	98	Very high	96.1	Very high	39 Å²	39	57.8 Å²	57.8	27%	0.273	33%	0.329	S	S	.	.	S	Bend	trans	-134.4	159.3	179.5	96.9	0	0	0	0	111.7	E72 E73 C74	S70-E72 VanDerWaalsContact C-N 3.3Å; S70-E72 WeakPolarHBondContact CB-OE2 3.42Å; S70-E72 PolarHBondContact OG-N 2.78Å; S70-E72 PolarHBondContact OG-OE2 2.03Å; S70-E73 PolarHBondContact O-N 2.82Å; S70-E73 PolarHBondContact OG-N 3.29Å; S70-E73 VanDerWaalsContact OG-N 3.14Å; S70-C74 PolarHBondContact O-N 2.82Å
71	K	97.9	Very high	94.7	Very high	93 Å²	93	63 Å²	63	40%	0.404	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-41.6	176.7	-176.6	172.8	168.3	177	0	110.7	F44 C53 E73 C74 E75	F44-K71 HydrophobicContact CD1-CB 3.83Å; F44-K71 HydrophobicContact CD1-CG 4.35Å; F44-K71 HydrophobicContact CE1-CB 3.66Å; F44-K71 HydrophobicContact CE1-CG 4.35Å; F44-K71 HydrophobicContact CG-CB 4.35Å; F44-K71 HydrophobicContact CZ-CB 4.05Å; C53-K71 HydrophobicContact CB-CG 4.16Å; K71-E73 VanDerWaalsContact C-N 3.33Å; K71-E73 PolarHBondContact O-N 3.04Å; K71-C74 WeakPolarHBondContact O-CB 3.42Å; K71-C74 PolarHBondContact O-N 3.25Å; K71-E75 WeakPolarHBondContact CE-OE1 3.28Å; K71-E75 HydrophobicContact CG-CG 4.38Å; K71-E75 IonicContact NZ-OE1 3.66Å; K71-E75 WeakPolarHBondContact O-CG 3.34Å; K71-E75 PolarHBondContact O-N 2.88Å
72	E	97.7	Very high	93	Very high	123 Å²	123	63.3 Å²	63.3	58%	0.575	34%	0.343	S	S	*	.	H	α-helix	trans	-64.4	-37.9	-179.2	-54.6	71.9	-156.4	0	0	111.4	S70 R76	S70-E72 VanDerWaalsContact C-N 3.3Å; S70-E72 WeakPolarHBondContact CB-OE2 3.42Å; S70-E72 PolarHBondContact OG-N 2.78Å; S70-E72 PolarHBondContact OG-OE2 2.03Å; E72-R76 WeakPolarHBondContact O-CB 3.48Å; E72-R76 PolarHBondContact O-N 3.25Å
73	E	97.1	Very high	91.2	Very high	47 Å²	47	63.9 Å²	63.9	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-45.7	174.9	-168.8	-162.9	169.4	0	0	111.4	F68 L69 S70 K71 R76 K77	F68-E73 HydrophobicContact CB-CB 4.39Å; F68-E73 HydrophobicContact CD1-CG 4.33Å; L69-E73 PolarHBondContact N-OE2 3.39Å; S70-E73 PolarHBondContact O-N 2.82Å; S70-E73 PolarHBondContact OG-N 3.29Å; S70-E73 VanDerWaalsContact OG-N 3.14Å; K71-E73 VanDerWaalsContact C-N 3.33Å; K71-E73 PolarHBondContact O-N 3.04Å; E73-R76 PolarHBondContact O-N 2.82Å; E73-K77 HydrophobicContact CG-CD 4.33Å; E73-K77 WeakPolarHBondContact O-CB 3.29Å; E73-K77 WeakPolarHBondContact O-CG 3.43Å; E73-K77 PolarHBondContact O-N 3.3Å; E73-K77 WeakPolarHBondContact OE1-CE 3.45Å; E73-K77 IonicContact OE1-NZ 2.7Å; E73-K77 PolarHBondContact OE1-NZ 3.05Å
74	C	97.9	Very high	89.5	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.8	-51	176	174.8	0	0	0	0	111	F44 C53 F68 S70 K71 R76 K77 C78	F44-C74 HydrophobicContact CB-CB 4.09Å; C53-C74 HydrophobicContact CB-CB 3.73Å; C53-C74 WeakPolarHBondContact CB-SG 2.83Å; C53-C74 WeakPolarHBondContact SG-CB 3.38Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 3.01Å; F68-C74 HydrophobicContact CB-CB 3.89Å; F68-C74 HydrophobicContact CD2-CB 3.34Å; F68-C74 VanDerWaalsContact CD2-SG 3.59Å; F68-C74 HydrophobicContact CE2-CB 4.09Å; F68-C74 HydrophobicContact CG-CB 3.76Å; S70-C74 PolarHBondContact O-N 2.82Å; K71-C74 WeakPolarHBondContact O-CB 3.42Å; K71-C74 PolarHBondContact O-N 3.25Å; C74-R76 PolarHBondContact O-N 2.76Å; C74-K77 PolarHBondContact O-N 3.22Å; C74-C78 WeakPolarHBondContact O-CB 3.4Å; C74-C78 PolarHBondContact O-N 3.09Å
75	E	95.9	Very high	87.5	Confident	87 Å²	87	67.4 Å²	67.4	41%	0.407	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-40.9	-178.6	-72.2	176	165.8	0	0	111.7	C53 K71 K77 G79	C53-E75 HydrophobicContact CB-CG 4.07Å; C53-E75 PolarHBondContact SG-N 3.24Å; K71-E75 WeakPolarHBondContact CE-OE1 3.28Å; K71-E75 HydrophobicContact CG-CG 4.38Å; K71-E75 IonicContact NZ-OE1 3.66Å; K71-E75 WeakPolarHBondContact O-CG 3.34Å; K71-E75 PolarHBondContact O-N 2.88Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 2.93Å; E75-G79 VanDerWaalsContact O-CA 3.27Å; E75-G79 WeakPolarHBondContact O-CA 3.46Å; E75-G79 PolarHBondContact O-N 2.79Å
76	R	94	Very high	85.7	Confident	176 Å²	176	75 Å²	75	66%	0.664	38%	0.378	S	S	*	.	H	α-helix	trans	-63.4	-35.8	176.6	-176.5	-175.7	58.4	73.5	0.2	112.4	E72 E73 C74	E72-R76 WeakPolarHBondContact O-CB 3.48Å; E72-R76 PolarHBondContact O-N 3.25Å; E73-R76 PolarHBondContact O-N 2.82Å; C74-R76 PolarHBondContact O-N 2.76Å
77	K	93.8	Very high	83.8	Confident	82 Å²	82	83.2 Å²	83.2	36%	0.357	41%	0.414	S	S	.	.	H	α-helix	trans	-83.2	-35.1	-179.6	-77.2	178.8	171.1	172.6	0	112.9	F68 E73 C74 E75	F68-K77 HydrophobicContact CD1-CD 3.79Å; F68-K77 HydrophobicContact CE1-CB 4.3Å; F68-K77 HydrophobicContact CE1-CD 3.32Å; F68-K77 HydrophobicContact CE1-CG 4.44Å; F68-K77 HydrophobicContact CZ-CB 4.42Å; F68-K77 HydrophobicContact CZ-CD 4.2Å; E73-K77 HydrophobicContact CG-CD 4.33Å; E73-K77 WeakPolarHBondContact O-CB 3.29Å; E73-K77 WeakPolarHBondContact O-CG 3.43Å; E73-K77 PolarHBondContact O-N 3.3Å; E73-K77 WeakPolarHBondContact OE1-CE 3.45Å; E73-K77 IonicContact OE1-NZ 2.7Å; E73-K77 PolarHBondContact OE1-NZ 3.05Å; C74-K77 PolarHBondContact O-N 3.22Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 2.93Å
78	C	95.2	Very high	81.9	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-118.3	-15.9	-167.6	-61.2	0	0	0	0	115.3	C28 Y46 C74 G80	C28-C78 HydrophobicContact CB-CB 3.64Å; C28-C78 WeakPolarHBondContact CB-SG 3.48Å; C28-C78 WeakPolarHBondContact SG-CA 3.37Å; C28-C78 WeakPolarHBondContact SG-CB 3.29Å; C28-C78 CovalentContact SG-SG 2.03Å; C28-C78 PolarHBondContact SG-SG 3.09Å; Y46-C78 HydrophobicContact CD1-CB 3.86Å; Y46-C78 HydrophobicContact CD2-CB 3.39Å; Y46-C78 HydrophobicContact CE1-CB 4.34Å; Y46-C78 HydrophobicContact CE2-CB 3.95Å; Y46-C78 HydrophobicContact CG-CB 3.32Å; C74-C78 WeakPolarHBondContact O-CB 3.4Å; C74-C78 PolarHBondContact O-N 3.09Å; C78-G80 PolarHBondContact O-N 3.35Å
79	G	90.1	Very high	80	Confident	53 Å²	53	91.9 Å²	91.9	55%	0.546	45%	0.454	S	S	.	.	S	Bend	trans	-76.5	-1.2	-177.8	0	0	0	0	0	115.1	E75	E75-G79 VanDerWaalsContact O-CA 3.27Å; E75-G79 WeakPolarHBondContact O-CA 3.46Å; E75-G79 PolarHBondContact O-N 2.79Å
80	G	85.1	Confident	78	Confident	48 Å²	48	94 Å²	94	50%	0.495	46%	0.461	S	S	.	.	S	Bend	trans	-80.9	174.3	170.7	0	0	0	0	0	112.4	C78 I82	C78-G80 PolarHBondContact O-N 3.35Å; G80-I82 PolarHBondContact O-N 3.32Å
81	Q	68.6	Low	75.9	Confident	145 Å²	145	95.5 Å²	95.5	68%	0.678	47%	0.469	S	S	*	.			trans	-66	107.3	173.9	-69.8	-178.2	-21.6	0	0	110.9	Y83	Q81-Y83 HydrophobicContact CB-CD2 3.68Å; Q81-Y83 HydrophobicContact CB-CE2 3.72Å; Q81-Y83 HydrophobicContact CG-CD2 4.34Å; Q81-Y83 HydrophobicContact CG-CE2 3.88Å; Q81-Y83 PolarHBondContact O-N 3.41Å
82	I	62.6	Low	73.7	Confident	37 Å²	37	96 Å²	96	19%	0.19	48%	0.48	C	S	.	.			trans	-82.1	65.8	173	-45.7	-62.2	0	0	0	109.1	C28 L29 G80 M84	C28-I82 HydrophobicContact CB-CD1 4.23Å; L29-I82 HydrophobicContact CD1-CG2 4.16Å; L29-I82 HydrophobicContact CD2-CG2 3.81Å; L29-I82 HydrophobicContact CG-CG2 3.96Å; G80-I82 PolarHBondContact O-N 3.32Å; I82-M84 HydrophobicContact CG2-CE 3.67Å; I82-M84 PolarHBondContact O-N 3.08Å
83	Y	59.7	Low	71.3	Confident	142 Å²	142	99.4 Å²	99.4	56%	0.557	49%	0.493	S	S	*	.			trans	-85.4	101.3	167.5	-67.6	-64.2	0	0	0	108.7	Q81 T85	Q81-Y83 HydrophobicContact CB-CD2 3.68Å; Q81-Y83 HydrophobicContact CB-CE2 3.72Å; Q81-Y83 HydrophobicContact CG-CD2 4.34Å; Q81-Y83 HydrophobicContact CG-CE2 3.88Å; Q81-Y83 PolarHBondContact O-N 3.41Å; Y83-T85 PolarHBondContact O-N 3.3Å
84	M	60.7	Low	68.7	Low	72 Å²	72	105.6 Å²	105.6	36%	0.355	52%	0.521	S	S	.	.			trans	-71	113.2	160.9	-63.4	-64.2	157.6	0	0	106.9	L29 I82	L29-M84 HydrophobicContact CD1-CE 3.77Å; L29-M84 HydrophobicContact CD1-CG 3.65Å; L29-M84 HydrophobicContact CD1-SD 4.44Å; L29-M84 HydrophobicContact CG-CE 4.45Å; I82-M84 HydrophobicContact CG2-CE 3.67Å; I82-M84 PolarHBondContact O-N 3.08Å
85	T	53.8	Low	66	Low	86 Å²	86	112.8 Å²	112.8	53%	0.528	56%	0.557	S	S	.	*			trans	-88	146.9	166	52.3	0	0	0	0	108.4	Y83 K87 S88	Y83-T85 PolarHBondContact O-N 3.3Å; T85-K87 PolarHBondContact O-N 2.76Å; T85-S88 PolarHBondContact O-N 3.05Å; T85-S88 VanDerWaalsContact O-N 3.09Å; T85-S88 PolarHBondContact O-OG 3.18Å
86	E	60.5	Low	63.2	Low	190 Å²	190	117.5 Å²	117.5	89%	0.888	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-51.8	-23.3	-174.4	-65.2	174	163.4	0	0	113.6	S88 F89	E86-S88 VanDerWaalsContact C-N 3.3Å; E86-S88 PolarHBondContact O-N 3.07Å; E86-F89 WeakPolarHBondContact O-CB 3.48Å; E86-F89 PolarHBondContact O-N 3.25Å
87	K	57	Low	60.4	Low	172 Å²	172	114.9 Å²	114.9	75%	0.748	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-67.5	-21.2	-179.6	-162.9	168.5	-176.5	176.3	0	114.7	T85 F89	T85-K87 PolarHBondContact O-N 2.76Å; K87-F89 VanDerWaalsContact C-N 3.27Å; K87-F89 PolarHBondContact O-N 3.19Å
88	S	57.7	Low	57.5	Low	29 Å²	29	116.8 Å²	116.8	20%	0.203	60%	0.602	C	S	.	*	G	3₁₀ helix	trans	-80	-4.9	176.6	59.2	0	0	0	0	114.3	T85 E86 E90	T85-S88 PolarHBondContact O-N 3.05Å; T85-S88 VanDerWaalsContact O-N 3.09Å; T85-S88 PolarHBondContact O-OG 3.18Å; E86-S88 VanDerWaalsContact C-N 3.3Å; E86-S88 PolarHBondContact O-N 3.07Å; S88-E90 VanDerWaalsContact C-N 3.31Å
89	F	58.6	Low	54.9	Low	183 Å²	183	122.9 Å²	122.9	80%	0.803	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-72.4	-26.2	176.8	-137.1	-99.7	0	0	0	112.4	E86 K87	E86-F89 WeakPolarHBondContact O-CB 3.48Å; E86-F89 PolarHBondContact O-N 3.25Å; K87-F89 VanDerWaalsContact C-N 3.27Å; K87-F89 PolarHBondContact O-N 3.19Å
90	E	56.9	Low	52.1	Low	169 Å²	169	126.4 Å²	126.4	79%	0.79	66%	0.655	S	S	*	*	S	Bend	trans	-76.8	-26	-177.9	-131.8	121.4	-145.5	0	0	113.3	S88	S88-E90 VanDerWaalsContact C-N 3.31Å
91	T	52.9	Low	49.6	Very low	72 Å²	72	128.9 Å²	128.9	44%	0.442	67%	0.665	S	S	.	*	G	3₁₀ helix	trans	-84.1	-13.9	-177.6	-40.5	0	0	0	0	113.4	K93 Q94	T91-K93 PolarHBondContact O-N 2.7Å; T91-Q94 PolarHBondContact O-N 3.27Å
92	T	51.8	Low	48.3	Very low	103 Å²	103	130.2 Å²	130.2	63%	0.632	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-66.7	-17	-179.2	-52.5	0	0	0	0	112.9	Q94	T92-Q94 PolarHBondContact O-N 2.8Å; T92-Q94 VanDerWaalsContact O-N 3.13Å
93	K	47.7	Very low	46.9	Very low	195 Å²	195	134.9 Å²	134.9	85%	0.848	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-72.4	-2.1	-179.5	-155.7	174.8	177.8	-177.9	0	114.9	T91	T91-K93 PolarHBondContact O-N 2.7Å
94	Q	42	Very low	46.5	Very low	176 Å²	176	139.2 Å²	139.2	82%	0.822	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-131.4	7.7	-174.8	-70.2	-171.5	-31.3	0	0	116.6	T91 T92	T91-Q94 PolarHBondContact O-N 3.27Å; T92-Q94 PolarHBondContact O-N 2.8Å; T92-Q94 VanDerWaalsContact O-N 3.13Å
95	M	41.3	Very low	45.2	Very low	152 Å²	152	139.8 Å²	139.8	75%	0.749	73%	0.726	S	S	*	*			trans	-114.1	17.9	-179.8	-68.3	-177.2	178.9	0	0	114.5	T97	M95-T97 VanDerWaalsContact C-N 3.27Å; M95-T97 PolarHBondContact O-N 2.85Å
96	E	37.5	Very low	45	Very low	185 Å²	185	142 Å²	142	86%	0.864	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	7.6	-177.6	-152.7	167.3	-165.5	0	0	114.6
97	T	35.7	Very low	43.8	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	7.9	-167.6	41	0	0	0	0	117.5	M95	M95-T97 VanDerWaalsContact C-N 3.27Å; M95-T97 PolarHBondContact O-N 2.85Å
98	T	31.3	Very low	42.7	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	73%	0.733	S	S	*	*			trans	-149.1	90.9	180	-48.1	0	0	0	0	113.8
99	S	42.3	Very low	41.7	Very low	127 Å²	127	144.1 Å²	144.1	89%	0.888	76%	0.759	S	S	*	*			trans	-163.2	74.2	145.6	-78.5	0	0	0	0	109
100	T	31.2	Very low	40.6	Very low	127 Å²	127	140.1 Å²	140.1	78%	0.779	75%	0.749	S	S	*	*			trans	-96	147.2	168.7	-48.9	0	0	0	0	108.4
101	S	32.5	Very low	39.5	Very low	101 Å²	101	137.4 Å²	137.4	71%	0.706	74%	0.744	S	S	*	*			trans	72.3	119.1	163.4	46.5	0	0	0	0	118.7
102	I	41.5	Very low	39.2	Very low	173 Å²	173	139.1 Å²	139.1	89%	0.887	75%	0.75	S	S	*	*				-169.2	144.9	116.3	-84.7	149	0	0	0	109.5
103	D	33.1	Very low	38.7	Very low	135 Å²	135	140.6 Å²	140.6	72%	0.722	76%	0.759	S	S	*	*			trans	-81.1	165.2	-159.4	-72.3	-70.1	0	0	0	119.4
104	R	49.5	Very low	39	Very low	233 Å²	233	135.1 Å²	135.1	88%	0.879	74%	0.742	S	S	*	*			trans	15	154.7	143.7	-87.8	-176.8	167.3	97.9	-2.1	119.9
105	S	34.9	Very low	40.4	Very low	83 Å²	83	135.4 Å²	135.4	58%	0.58	74%	0.743	S	S	*	*			cis	-176.8	140.7	0.2	176.2	0	0	0	0	104.6
106	D	48.4	Very low	42.3	Very low	134 Å²	134	134.6 Å²	134.6	72%	0.717	74%	0.735	S	S	*	*				166.4	156.5	127.2	-92.2	-5	0	0	0	113.2
107	N	35.1	Very low	44.6	Very low	135 Å²	135	127 Å²	127	72%	0.722	70%	0.702	S	S	*	*			trans	-94.6	151.4	-146	-46	-53	0	0	0	113.5
108	T	35.4	Very low	47.1	Very low	139 Å²	139	124.2 Å²	124.2	85%	0.853	68%	0.682	S	S	*	*				-166.2	132.1	123.4	-0.9	0	0	0	0	111.4
109	E	35.9	Very low	50	Low	161 Å²	161	120 Å²	120	75%	0.752	66%	0.658	S	S	*	*			trans	-80	122.7	-179.7	-173.3	167.3	-167.6	0	0	109.5
110	T	36.5	Very low	52.4	Low	98 Å²	98	114.5 Å²	114.5	60%	0.601	62%	0.619	S	S	*	*			trans	-133.4	105.4	162.7	-50.3	0	0	0	0	107.5	I112	T110-I112 HydrophobicContact CG2-CD1 4.25Å; T110-I112 HydrophobicContact CG2-CG1 3.82Å; T110-I112 PolarHBondContact O-N 3.4Å
111	T	32.2	Very low	55.3	Low	113 Å²	113	110.4 Å²	110.4	69%	0.693	60%	0.602	S	S	*	*			trans	-68.2	79.4	172.3	-45.5	0	0	0	0	109
112	I	46.9	Very low	58.2	Low	108 Å²	108	107 Å²	107	55%	0.554	58%	0.58	S	S	*	*			trans	-95.9	113.5	159.4	-54.4	-174.2	0	0	0	105.3	T110 T114	T110-I112 HydrophobicContact CG2-CD1 4.25Å; T110-I112 HydrophobicContact CG2-CG1 3.82Å; T110-I112 PolarHBondContact O-N 3.4Å; I112-T114 PolarHBondContact O-N 3.09Å
113	T	41.9	Very low	60.7	Low	134 Å²	134	100.5 Å²	100.5	82%	0.822	55%	0.545	S	S	*	.			trans	-65.8	70.9	173	52.8	0	0	0	0	109.5
114	T	53.2	Low	63.7	Low	79 Å²	79	98 Å²	98	49%	0.485	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-86.4	119.3	169.3	-55	0	0	0	0	106.6	I112 K116	I112-T114 PolarHBondContact O-N 3.09Å; T114-K116 PolarHBondContact O-N 3.33Å
115	Q	71.1	Confident	65.9	Low	182 Å²	182	90.8 Å²	90.8	85%	0.85	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-47.4	127.3	172.7	-66.4	174.2	-19.4	0	0	108.8	P117	Q115-P117 VanDerWaalsContact O-N 3.16Å
116	K	83.3	Confident	68.8	Low	135 Å²	135	91.7 Å²	91.7	59%	0.587	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-52.2	123.7	177.2	-173.9	-179.8	-167.8	175.5	0	108.1	Y32 E34 T114 L118	Y32-K116 WeakPolarHBondContact OH-CE 3.43Å; E34-K116 VanDerWaalsContact OE2-CE 3.24Å; E34-K116 WeakPolarHBondContact OE2-CE 3.37Å; E34-K116 IonicContact OE2-NZ 2.66Å; E34-K116 PolarHBondContact OE2-NZ 3.17Å; T114-K116 PolarHBondContact O-N 3.33Å; K116-L118 PolarHBondContact O-N 3.37Å
117	P	85.1	Confident	71	Confident	25 Å²	25	86.9 Å²	86.9	16%	0.162	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-59.2	142.6	179	25.8	-34.2	0	0	0	108.9	Y32 Y45 F56 Q115	Y32-P117 HydrophobicContact CD1-CG 4.42Å; Y32-P117 HydrophobicContact CE1-CB 4.38Å; Y32-P117 HydrophobicContact CE1-CG 3.95Å; Y32-P117 WeakPolarHBondContact CE1-O 3.21Å; Y32-P117 VanDerWaalsContact CZ-O 3.28Å; Y32-P117 PolarHBondContact OH-O 2.78Å; Y45-P117 HydrophobicContact CE1-CB 4.22Å; Y45-P117 HydrophobicContact CE1-CG 4.17Å; F56-P117 HydrophobicContact CB-CG 4.02Å; Q115-P117 VanDerWaalsContact O-N 3.16Å
118	L	88.9	Confident	74	Confident	65 Å²	65	85.5 Å²	85.5	34%	0.34	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-69.5	142.1	178.8	-169.4	60	0	0	0	109.7	K116 A122 K123 L126	K116-L118 PolarHBondContact O-N 3.37Å; L118-A122 HydrophobicContact CD1-CB 3.33Å; L118-A122 VanDerWaalsContact CD2-C 3.42Å; L118-A122 HydrophobicContact CD2-CB 3.75Å; L118-A122 HydrophobicContact CG-CB 3.43Å; L118-A122 VanDerWaalsContact CG-CB 3.43Å; L118-K123 HydrophobicContact CB-CG 3.86Å; L118-K123 HydrophobicContact CD2-CB 4.49Å; L118-K123 HydrophobicContact CD2-CG 3.92Å; L118-K123 HydrophobicContact CG-CG 4.06Å; L118-K123 WeakPolarHBondContact O-CE 3.45Å; L118-L126 HydrophobicContact CD2-CD1 3.32Å; L118-L126 HydrophobicContact CD2-CG 4.08Å
119	S	91.7	Very high	77	Confident	33 Å²	33	82.7 Å²	82.7	23%	0.231	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-55.9	148.8	170.9	58.3	0	0	0	0	110.6	D31 G121 A122 K123	D31-S119 VanDerWaalsContact CG-CB 3.49Å; D31-S119 VanDerWaalsContact OD1-CA 3.25Å; D31-S119 WeakPolarHBondContact OD1-CA 3.44Å; D31-S119 WeakPolarHBondContact OD2-CA 3.14Å; D31-S119 WeakPolarHBondContact OD2-CB 3.34Å; S119-G121 PolarHBondContact O-N 3.33Å; S119-A122 PolarHBondContact O-N 3.45Å; S119-A122 VanDerWaalsContact OG-CB 3.24Å; S119-A122 WeakPolarHBondContact OG-CB 3.45Å; S119-A122 PolarHBondContact OG-N 3.07Å; S119-A122 VanDerWaalsContact OG-N 3.16Å; S119-K123 PolarHBondContact O-N 3.29Å
120	V	92.2	Very high	79.9	Confident	11 Å²	11	78.5 Å²	78.5	7%	0.067	45%	0.446	C	S	.	.	H	α-helix	trans	-51.5	-45.5	175	177.1	0	0	0	0	110.2	D31 Y45 V49 A122 K123 I124	D31-V120 PolarHBondContact OD1-N 3Å; Y45-V120 HydrophobicContact CE2-CG2 4.33Å; V49-V120 HydrophobicContact CG2-CG1 3.77Å; V120-A122 PolarHBondContact O-N 3.25Å; V120-K123 PolarHBondContact O-N 2.88Å; V120-I124 HydrophobicContact CG1-CD1 4.14Å; V120-I124 WeakPolarHBondContact O-CG1 3.28Å; V120-I124 PolarHBondContact O-N 2.91Å
121	G	92	Very high	82.8	Confident	42 Å²	42	78.8 Å²	78.8	43%	0.433	44%	0.443	S	S	.	.	H	α-helix	trans	-59.2	-42.3	177.3	0	0	0	0	0	113.3	S119 I124 V125	S119-G121 PolarHBondContact O-N 3.33Å; G121-I124 WeakPolarHBondContact O-CB 3.21Å; G121-I124 PolarHBondContact O-N 3.38Å; G121-V125 WeakPolarHBondContact O-CG2 3.43Å; G121-V125 PolarHBondContact O-N 3.42Å
122	A	94	Very high	85.9	Confident	29 Å²	29	80.2 Å²	80.2	24%	0.24	44%	0.44	C	S	.	.	H	α-helix	trans	-74.6	-30.4	178.3	0	0	0	0	0	112.6	L118 S119 V120 I124 V125 L126	L118-A122 HydrophobicContact CD1-CB 3.33Å; L118-A122 VanDerWaalsContact CD2-C 3.42Å; L118-A122 HydrophobicContact CD2-CB 3.75Å; L118-A122 HydrophobicContact CG-CB 3.43Å; L118-A122 VanDerWaalsContact CG-CB 3.43Å; S119-A122 PolarHBondContact O-N 3.45Å; S119-A122 VanDerWaalsContact OG-CB 3.24Å; S119-A122 WeakPolarHBondContact OG-CB 3.45Å; S119-A122 PolarHBondContact OG-N 3.07Å; S119-A122 VanDerWaalsContact OG-N 3.16Å; V120-A122 PolarHBondContact O-N 3.25Å; A122-I124 VanDerWaalsContact C-N 3.33Å; A122-I124 PolarHBondContact O-N 3.18Å; A122-V125 PolarHBondContact O-N 3.09Å; A122-L126 WeakPolarHBondContact O-CB 2.91Å; A122-L126 WeakPolarHBondContact O-CG 3.21Å; A122-L126 PolarHBondContact O-N 3.22Å
123	K	93.9	Very high	88.3	Confident	37 Å²	37	79.5 Å²	79.5	16%	0.161	44%	0.437	C	S	.	.	H	α-helix	trans	-59.7	-44.3	168.9	-67.4	-176.7	-176.3	-174.9	0	110.8	D47 E54 L118 S119 V120 L126 G127	D47-K123 VanDerWaalsContact OD2-CD 3.24Å; D47-K123 WeakPolarHBondContact OD2-CD 3.36Å; D47-K123 WeakPolarHBondContact OD2-CE 3.24Å; D47-K123 IonicContact OD2-NZ 2.75Å; D47-K123 PolarHBondContact OD2-NZ 2.85Å; E54-K123 IonicContact OE1-NZ 2.6Å; E54-K123 PolarHBondContact OE1-NZ 3.4Å; E54-K123 IonicContact OE2-NZ 2.96Å; E54-K123 PolarHBondContact OE2-NZ 3.23Å; L118-K123 HydrophobicContact CB-CG 3.86Å; L118-K123 HydrophobicContact CD2-CB 4.49Å; L118-K123 HydrophobicContact CD2-CG 3.92Å; L118-K123 HydrophobicContact CG-CG 4.06Å; L118-K123 WeakPolarHBondContact O-CE 3.45Å; S119-K123 PolarHBondContact O-N 3.29Å; V120-K123 PolarHBondContact O-N 2.88Å; K123-L126 PolarHBondContact O-N 3.47Å; K123-G127 PolarHBondContact O-N 3.23Å
124	I	95.3	Very high	91	Very high	82 Å²	82	79.2 Å²	79.2	42%	0.421	42%	0.424	S	S	.	.	H	α-helix	trans	-60.6	-48	175.6	-66.6	166.6	0	0	0	111.1	V49 V120 G121 A122 L126 G127 I128	V49-I124 HydrophobicContact CG2-CD1 4.06Å; V49-I124 HydrophobicContact CG2-CG1 3.55Å; V120-I124 HydrophobicContact CG1-CD1 4.14Å; V120-I124 WeakPolarHBondContact O-CG1 3.28Å; V120-I124 PolarHBondContact O-N 2.91Å; G121-I124 WeakPolarHBondContact O-CB 3.21Å; G121-I124 PolarHBondContact O-N 3.38Å; A122-I124 VanDerWaalsContact C-N 3.33Å; A122-I124 PolarHBondContact O-N 3.18Å; I124-L126 PolarHBondContact O-N 3.16Å; I124-G127 PolarHBondContact O-N 2.93Å; I124-I128 HydrophobicContact CG2-CD1 3.88Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.02Å; I124-I128 PolarHBondContact O-N 3.23Å
125	V	96.8	Very high	93.1	Very high	81 Å²	81	78.6 Å²	78.6	49%	0.491	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-44.4	179.3	170.8	0	0	0	0	111.3	G121 A122 G127 I128 L129	G121-V125 WeakPolarHBondContact O-CG2 3.43Å; G121-V125 PolarHBondContact O-N 3.42Å; A122-V125 PolarHBondContact O-N 3.09Å; V125-G127 VanDerWaalsContact C-N 3.32Å; V125-G127 PolarHBondContact O-N 3.46Å; V125-I128 PolarHBondContact O-N 3.44Å; V125-L129 HydrophobicContact CG1-CD1 4.03Å; V125-L129 HydrophobicContact CG1-CG 4.44Å; V125-L129 WeakPolarHBondContact O-CG 3.44Å; V125-L129 PolarHBondContact O-N 3.47Å
126	L	95	Very high	94.3	Very high	103 Å²	103	72.3 Å²	72.3	54%	0.539	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-40.3	175.5	-70.9	-176	0	0	0	111.9	L118 A122 K123 I124 L129 D130	L118-L126 HydrophobicContact CD2-CD1 3.32Å; L118-L126 HydrophobicContact CD2-CG 4.08Å; A122-L126 WeakPolarHBondContact O-CB 2.91Å; A122-L126 WeakPolarHBondContact O-CG 3.21Å; A122-L126 PolarHBondContact O-N 3.22Å; K123-L126 PolarHBondContact O-N 3.47Å; I124-L126 PolarHBondContact O-N 3.16Å; L126-L129 PolarHBondContact O-N 3.35Å; L126-D130 WeakPolarHBondContact O-CB 3.44Å; L126-D130 PolarHBondContact O-N 3.13Å
127	G	95.5	Very high	95	Very high	33 Å²	33	70.5 Å²	70.5	34%	0.34	39%	0.393	S	S	.	.	H	α-helix	trans	-60.1	-45.2	174.2	0	0	0	0	0	112.8	K123 I124 V125 L129 D130 I131	K123-G127 PolarHBondContact O-N 3.23Å; I124-G127 PolarHBondContact O-N 2.93Å; V125-G127 VanDerWaalsContact C-N 3.32Å; V125-G127 PolarHBondContact O-N 3.46Å; G127-L129 PolarHBondContact O-N 2.99Å; G127-D130 PolarHBondContact O-N 2.92Å; G127-I131 VanDerWaalsContact O-CG1 3.32Å; G127-I131 WeakPolarHBondContact O-CG1 3.07Å; G127-I131 PolarHBondContact O-N 3.49Å
128	I	97.4	Very high	95.5	Very high	106 Å²	106	74.2 Å²	74.2	54%	0.544	41%	0.411	S	S	.	.	H	α-helix	trans	-63.9	-42	177	-66.4	167.4	0	0	0	111	I124 V125 I131 K132	I124-I128 HydrophobicContact CG2-CD1 3.88Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.02Å; I124-I128 PolarHBondContact O-N 3.23Å; V125-I128 PolarHBondContact O-N 3.44Å; I128-I131 PolarHBondContact O-N 2.71Å; I128-K132 WeakPolarHBondContact O-CB 3.23Å; I128-K132 PolarHBondContact O-N 2.91Å
129	L	97.7	Very high	95.9	Very high	79 Å²	79	76.9 Å²	76.9	41%	0.414	42%	0.42	S	S	.	.	H	α-helix	trans	-64.6	-40.7	177.4	-72.3	173.2	0	0	0	112.2	V125 L126 G127 K132 N133	V125-L129 HydrophobicContact CG1-CD1 4.03Å; V125-L129 HydrophobicContact CG1-CG 4.44Å; V125-L129 WeakPolarHBondContact O-CG 3.44Å; V125-L129 PolarHBondContact O-N 3.47Å; L126-L129 PolarHBondContact O-N 3.35Å; G127-L129 PolarHBondContact O-N 2.99Å; L129-K132 PolarHBondContact O-N 3.13Å; L129-N133 WeakPolarHBondContact O-CB 3.28Å; L129-N133 VanDerWaalsContact O-CG 3.28Å; L129-N133 PolarHBondContact O-N 3.24Å; L129-N133 PolarHBondContact O-ND2 2.94Å
130	D	97.3	Very high	96.1	Very high	73 Å²	73	80.1 Å²	80.1	39%	0.39	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-45.5	175.5	179.1	50.6	0	0	0	111.5	L126 G127 K132 N133 K134	L126-D130 WeakPolarHBondContact O-CB 3.44Å; L126-D130 PolarHBondContact O-N 3.13Å; G127-D130 PolarHBondContact O-N 2.92Å; D130-K132 PolarHBondContact O-N 3.23Å; D130-N133 PolarHBondContact O-N 3.47Å; D130-K134 WeakPolarHBondContact O-CB 3.34Å; D130-K134 WeakPolarHBondContact O-CG 3.31Å; D130-K134 PolarHBondContact O-N 3.05Å; D130-K134 WeakPolarHBondContact OD1-CE 3.22Å; D130-K134 IonicContact OD1-NZ 2.73Å; D130-K134 VanDerWaalsContact OD2-CE 3.23Å; D130-K134 WeakPolarHBondContact OD2-CE 3.42Å; D130-K134 IonicContact OD2-NZ 3.96Å; D130-K134 PolarHBondContact OD2-NZ 2.86Å
131	I	98	Very high	96.2	Very high	105 Å²	105	87.9 Å²	87.9	54%	0.538	46%	0.463	S	S	.	.	H	α-helix	trans	-60.1	-47.2	175	-66.8	164.7	0	0	0	110.6	G127 I128 N133 K134 V135	G127-I131 VanDerWaalsContact O-CG1 3.32Å; G127-I131 WeakPolarHBondContact O-CG1 3.07Å; G127-I131 PolarHBondContact O-N 3.49Å; I128-I131 PolarHBondContact O-N 2.71Å; I131-N133 VanDerWaalsContact C-N 3.3Å; I131-N133 PolarHBondContact O-N 2.92Å; I131-K134 PolarHBondContact O-N 3.32Å; I131-V135 HydrophobicContact CG2-CG2 4.22Å; I131-V135 WeakPolarHBondContact O-CB 3.46Å; I131-V135 VanDerWaalsContact O-CG2 3.26Å; I131-V135 WeakPolarHBondContact O-CG2 3.27Å; I131-V135 PolarHBondContact O-N 3.12Å
132	K	97.5	Very high	96.3	Very high	143 Å²	143	91.8 Å²	91.8	62%	0.622	47%	0.472	S	S	*	.	H	α-helix	trans	-58	-43.3	178	-178	-177.6	175.5	-176.3	0	111.5	I128 L129 D130 V135 S136	I128-K132 WeakPolarHBondContact O-CB 3.23Å; I128-K132 PolarHBondContact O-N 2.91Å; L129-K132 PolarHBondContact O-N 3.13Å; D130-K132 PolarHBondContact O-N 3.23Å; K132-V135 PolarHBondContact O-N 3.3Å; K132-S136 VanDerWaalsContact O-CB 3.28Å; K132-S136 WeakPolarHBondContact O-CB 3.22Å; K132-S136 PolarHBondContact O-N 3.44Å
133	N	97.6	Very high	96.3	Very high	93 Å²	93	97.3 Å²	97.3	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-43.6	178.7	-73.6	-20.1	0	0	0	111.9	L129 D130 I131 V135 S136 N137	L129-N133 WeakPolarHBondContact O-CB 3.28Å; L129-N133 VanDerWaalsContact O-CG 3.28Å; L129-N133 PolarHBondContact O-N 3.24Å; L129-N133 PolarHBondContact O-ND2 2.94Å; D130-N133 PolarHBondContact O-N 3.47Å; I131-N133 VanDerWaalsContact C-N 3.3Å; I131-N133 PolarHBondContact O-N 2.92Å; N133-V135 PolarHBondContact O-N 3.33Å; N133-S136 PolarHBondContact O-N 3.38Å; N133-N137 WeakPolarHBondContact O-CB 3.45Å; N133-N137 VanDerWaalsContact O-CG 3.26Å; N133-N137 PolarHBondContact O-N 3.35Å; N133-N137 PolarHBondContact O-ND2 3.42Å
134	K	98	Very high	96.2	Very high	128 Å²	128	98.5 Å²	98.5	56%	0.557	51%	0.514	S	S	*	.	H	α-helix	trans	-59.9	-45.5	174.9	-76.2	171.3	176.6	165.7	0	111.7	D130 I131 N137 L138	D130-K134 WeakPolarHBondContact O-CB 3.34Å; D130-K134 WeakPolarHBondContact O-CG 3.31Å; D130-K134 PolarHBondContact O-N 3.05Å; D130-K134 WeakPolarHBondContact OD1-CE 3.22Å; D130-K134 IonicContact OD1-NZ 2.73Å; D130-K134 VanDerWaalsContact OD2-CE 3.23Å; D130-K134 WeakPolarHBondContact OD2-CE 3.42Å; D130-K134 IonicContact OD2-NZ 3.96Å; D130-K134 PolarHBondContact OD2-NZ 2.86Å; I131-K134 PolarHBondContact O-N 3.32Å; K134-N137 PolarHBondContact O-N 3.28Å; K134-L138 WeakPolarHBondContact O-CB 3.1Å; K134-L138 PolarHBondContact O-N 3.33Å
135	V	97.9	Very high	95.5	Very high	65 Å²	65	99.4 Å²	99.4	39%	0.394	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-45.1	176.8	170.9	0	0	0	0	111.2	I131 K132 N133 N137 L138 F139	I131-V135 HydrophobicContact CG2-CG2 4.22Å; I131-V135 WeakPolarHBondContact O-CB 3.46Å; I131-V135 VanDerWaalsContact O-CG2 3.26Å; I131-V135 WeakPolarHBondContact O-CG2 3.27Å; I131-V135 PolarHBondContact O-N 3.12Å; K132-V135 PolarHBondContact O-N 3.3Å; N133-V135 PolarHBondContact O-N 3.33Å; V135-N137 PolarHBondContact O-N 3.21Å; V135-L138 WeakPolarHBondContact O-CB 3.01Å; V135-L138 PolarHBondContact O-N 3.19Å; V135-F139 HydrophobicContact CG1-CD2 3.7Å; V135-F139 HydrophobicContact CG1-CE2 3.37Å; V135-F139 WeakPolarHBondContact O-CD2 3.21Å; V135-F139 PolarHBondContact O-N 3.13Å
136	S	96.5	Very high	94.3	Very high	50 Å²	50	108.9 Å²	108.9	35%	0.35	55%	0.551	S	S	.	*	H	α-helix	trans	-57.9	-47.8	175.8	-178.9	0	0	0	0	112.1	K132 N133 L138 F139 K140	K132-S136 VanDerWaalsContact O-CB 3.28Å; K132-S136 WeakPolarHBondContact O-CB 3.22Å; K132-S136 PolarHBondContact O-N 3.44Å; N133-S136 PolarHBondContact O-N 3.38Å; S136-L138 VanDerWaalsContact C-N 3.31Å; S136-L138 PolarHBondContact O-N 2.02Å; S136-F139 PolarHBondContact O-N 2.95Å; S136-K140 PolarHBondContact O-N 3.04Å
137	N	96	Very high	94.2	Very high	98 Å²	98	109.2 Å²	109.2	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-65.1	-35.9	177.8	-70.4	-20.3	0	0	0	112.1	N133 K134 V135 K140 K141	N133-N137 WeakPolarHBondContact O-CB 3.45Å; N133-N137 VanDerWaalsContact O-CG 3.26Å; N133-N137 PolarHBondContact O-N 3.35Å; N133-N137 PolarHBondContact O-ND2 3.42Å; K134-N137 PolarHBondContact O-N 3.28Å; V135-N137 PolarHBondContact O-N 3.21Å; N137-K140 PolarHBondContact O-N 3.45Å; N137-K141 WeakPolarHBondContact O-CB 3.45Å; N137-K141 PolarHBondContact O-N 3.4Å
138	L	96.5	Very high	94.2	Very high	102 Å²	102	113.2 Å²	113.2	53%	0.534	56%	0.562	S	S	.	*	H	α-helix	trans	-62	-44.2	173.9	-175.3	65.9	0	0	0	111.2	K134 V135 S136 K141 I142	K134-L138 WeakPolarHBondContact O-CB 3.1Å; K134-L138 PolarHBondContact O-N 3.33Å; V135-L138 WeakPolarHBondContact O-CB 3.01Å; V135-L138 PolarHBondContact O-N 3.19Å; S136-L138 VanDerWaalsContact C-N 3.31Å; S136-L138 PolarHBondContact O-N 2.02Å; L138-K141 PolarHBondContact O-N 3.19Å; L138-I142 HydrophobicContact CG-CD1 4.19Å; L138-I142 WeakPolarHBondContact O-CG1 3.44Å; L138-I142 PolarHBondContact O-N 3.5Å
139	F	96.7	Very high	94	Very high	122 Å²	122	113.6 Å²	113.6	54%	0.535	56%	0.563	S	S	.	*	H	α-helix	trans	-64.1	-41.9	176.3	-78.8	-64.6	0	0	0	113	V135 S136 K141 I142 K143	V135-F139 HydrophobicContact CG1-CD2 3.7Å; V135-F139 HydrophobicContact CG1-CE2 3.37Å; V135-F139 WeakPolarHBondContact O-CD2 3.21Å; V135-F139 PolarHBondContact O-N 3.13Å; S136-F139 PolarHBondContact O-N 2.95Å; F139-K141 VanDerWaalsContact C-N 3.31Å; F139-K141 PolarHBondContact O-N 3.29Å; F139-I142 PolarHBondContact O-N 3.22Å; F139-K143 WeakPolarHBondContact O-CG 3.5Å; F139-K143 PolarHBondContact O-N 2.99Å
140	K	95.7	Very high	93.8	Very high	100 Å²	100	115.6 Å²	115.6	44%	0.435	57%	0.572	S	S	.	*	H	α-helix	trans	-59	-43.6	174.5	-70.2	-179.4	178.3	-176.4	0	111.6	S136 N137 I142 K143 G144 E145	S136-K140 PolarHBondContact O-N 3.04Å; N137-K140 PolarHBondContact O-N 3.45Å; K140-I142 PolarHBondContact O-N 3.39Å; K140-K143 PolarHBondContact O-N 2.97Å; K140-G144 PolarHBondContact O-N 2.99Å; K140-G144 VanDerWaalsContact O-N 3.09Å; K140-E145 HydrophobicContact CB-CB 4.35Å; K140-E145 PolarHBondContact O-N 3.19Å
141	K	94.5	Very high	93.6	Very high	175 Å²	175	118.3 Å²	118.3	76%	0.761	58%	0.584	S	S	*	*	H	α-helix	trans	-62.2	-39.9	176.3	-170.5	175.1	-177.8	178	0	112.5	N137 L138 F139 G144	N137-K141 WeakPolarHBondContact O-CB 3.45Å; N137-K141 PolarHBondContact O-N 3.4Å; L138-K141 PolarHBondContact O-N 3.19Å; F139-K141 VanDerWaalsContact C-N 3.31Å; F139-K141 PolarHBondContact O-N 3.29Å; K141-G144 PolarHBondContact O-N 3.45Å
142	I	94.8	Very high	93.3	Very high	124 Å²	124	119.1 Å²	119.1	64%	0.636	59%	0.587	S	S	*	*	H	α-helix	trans	-67	-39.3	175.5	-68.2	165.5	0	0	0	111.2	L138 F139 K140 G144	L138-I142 HydrophobicContact CG-CD1 4.19Å; L138-I142 WeakPolarHBondContact O-CG1 3.44Å; L138-I142 PolarHBondContact O-N 3.5Å; F139-I142 PolarHBondContact O-N 3.22Å; K140-I142 PolarHBondContact O-N 3.39Å; I142-G144 PolarHBondContact O-N 3.07Å
143	K	94.9	Very high	93	Very high	144 Å²	144	117.4 Å²	117.4	63%	0.626	58%	0.584	S	S	*	*	H	α-helix	trans	-73.8	-9.2	177.6	-70.6	-175.3	178.8	-175.8	0	114	F139 K140 E145	F139-K143 WeakPolarHBondContact O-CG 3.5Å; F139-K143 PolarHBondContact O-N 2.99Å; K140-K143 PolarHBondContact O-N 2.97Å; K143-E145 HydrophobicContact CB-CG 3.9Å; K143-E145 VanDerWaalsContact CD-OE1 3.24Å; K143-E145 WeakPolarHBondContact CD-OE1 3.38Å; K143-E145 IonicContact NZ-OE1 3.78Å; K143-E145 PolarHBondContact O-N 3.3Å
144	G	90.6	Very high	92.6	Very high	62 Å²	62	119.3 Å²	119.3	64%	0.639	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.8	19.1	-173.2	0	0	0	0	0	113.4	K140 K141 I142 K146	K140-G144 PolarHBondContact O-N 2.99Å; K140-G144 VanDerWaalsContact O-N 3.09Å; K141-G144 PolarHBondContact O-N 3.45Å; I142-G144 PolarHBondContact O-N 3.07Å; G144-K146 PolarHBondContact O-N 3.48Å
145	E	80	Confident	92.2	Very high	101 Å²	101	118.6 Å²	118.6	47%	0.472	59%	0.594	S	S	.	*			trans	-74.1	113.1	172.8	-68.2	171.6	-176.2	0	0	107.5	K140 K143	K140-E145 HydrophobicContact CB-CB 4.35Å; K140-E145 PolarHBondContact O-N 3.19Å; K143-E145 HydrophobicContact CB-CG 3.9Å; K143-E145 VanDerWaalsContact CD-OE1 3.24Å; K143-E145 WeakPolarHBondContact CD-OE1 3.38Å; K143-E145 IonicContact NZ-OE1 3.78Å; K143-E145 PolarHBondContact O-N 3.3Å
146	K	71.8	Confident	91.6	Very high	280 Å²	280	123.5 Å²	123.5	100%	1.217	61%	0.612	S	S	*	*			trans	-70.7	0	173.7	-78.9	-174	178.3	179.2	0	111.4	G144	G144-K146 PolarHBondContact O-N 3.48Å

Retrieved 146 of 146 residues in 31.5 ms (Link to these results)

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