G4VEE0_SCHMA Loading...

Putative kunitz-type protease inhibitor

AlphaFold DB , UniProt , Accession G4VEE0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 aa.

						>G4VEE0_SCHMA|G4VEE0
MFSFCLYGTLLLICVQSVASYRKGNSDCLLDYDEGICRALLKRFYYDSVNQTCEIFYYGGCLGNGNNFLSKEECERKCGGQIYMTEKSFETTKQMETTSTSIDRSDNTETTITTQKPLSVGAKIVLGILDIKNKVSNLFKKIKGEK
					

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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	65.4	Low	82.4	Confident	199 Å²	199	118.8 Å²	118.8	98%	0.98	62%	0.615	S	S	*	*				0	-41.8	0	-68.4	176.5	87.1	0	0	112.7	S3 F4	M1-S3 PolarHBondContact O-N 3.46Å; M1-F4 PolarHBondContact O-N 3.25Å
2	F	71.6	Confident	82.8	Confident	188 Å²	188	117.8 Å²	117.8	83%	0.825	61%	0.611	S	S	*	*	H	α-helix	trans	-55.9	-37.6	-179.6	-66.7	-78.7	0	0	0	116.1	F4 C5 L6	F2-F4 PolarHBondContact O-N 2.94Å; F2-C5 PolarHBondContact O-N 3.45Å; F2-L6 PolarHBondContact O-N 3.36Å
3	S	77.3	Confident	83.2	Confident	66 Å²	66	117.4 Å²	117.4	46%	0.462	61%	0.608	S	S	.	*	H	α-helix	trans	-64.1	-39.3	-178.9	-173.6	0	0	0	0	113.2	M1 C5 L6 Y7	M1-S3 PolarHBondContact O-N 3.46Å; S3-C5 VanDerWaalsContact C-N 3.3Å; S3-C5 PolarHBondContact O-N 3.28Å; S3-L6 PolarHBondContact O-N 3.11Å; S3-L6 VanDerWaalsContact O-N 3.14Å; S3-Y7 WeakPolarHBondContact O-CD2 3.29Å; S3-Y7 PolarHBondContact O-N 3.29Å; S3-Y7 WeakPolarHBondContact OG-CE2 3.24Å
4	F	79.5	Confident	83.5	Confident	169 Å²	169	113.3 Å²	113.3	74%	0.741	59%	0.593	S	S	*	*	H	α-helix	trans	-64.7	-33.2	178.1	-67.5	-75	0	0	0	112.7	M1 F2 L6 Y7 G8	M1-F4 PolarHBondContact O-N 3.25Å; F2-F4 PolarHBondContact O-N 2.94Å; F4-L6 VanDerWaalsContact C-N 3.34Å; F4-Y7 PolarHBondContact O-N 3.36Å; F4-G8 PolarHBondContact O-N 3.02Å
5	C	80.9	Confident	83.8	Confident	84 Å²	84	110.9 Å²	110.9	57%	0.568	59%	0.585	S	S	*	*	H	α-helix	trans	-66.5	-35.4	174.9	-62.4	0	0	0	0	112.2	F2 S3 G8 T9	F2-C5 PolarHBondContact O-N 3.45Å; S3-C5 VanDerWaalsContact C-N 3.3Å; S3-C5 PolarHBondContact O-N 3.28Å; C5-G8 PolarHBondContact O-N 2.96Å; C5-T9 WeakPolarHBondContact O-CG2 3.45Å; C5-T9 PolarHBondContact O-N 3.23Å; C5-T9 PolarHBondContact O-OG1 3.37Å
6	L	85.6	Confident	83.8	Confident	120 Å²	120	111.7 Å²	111.7	63%	0.628	59%	0.585	S	S	*	*	H	α-helix	trans	-68	-41.4	177.6	-65.3	174.7	0	0	0	111.8	F2 S3 F4 T9 L10	F2-L6 PolarHBondContact O-N 3.36Å; S3-L6 PolarHBondContact O-N 3.11Å; S3-L6 VanDerWaalsContact O-N 3.14Å; F4-L6 VanDerWaalsContact C-N 3.34Å; L6-T9 WeakPolarHBondContact CA-OG1 3.39Å; L6-T9 PolarHBondContact O-OG1 3.37Å; L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 PolarHBondContact O-N 3.21Å
7	Y	89.3	Confident	83.6	Confident	159 Å²	159	109.4 Å²	109.4	62%	0.624	58%	0.58	S	S	*	*	H	α-helix	trans	-66.9	-40.9	174.7	-71.1	-70.8	0	0	0	112.6	S3 F4 L10 L11	S3-Y7 WeakPolarHBondContact O-CD2 3.29Å; S3-Y7 PolarHBondContact O-N 3.29Å; S3-Y7 WeakPolarHBondContact OG-CE2 3.24Å; F4-Y7 PolarHBondContact O-N 3.36Å; Y7-L10 PolarHBondContact O-N 3.35Å; Y7-L11 WeakPolarHBondContact O-CB 3.3Å; Y7-L11 PolarHBondContact O-N 3.45Å
8	G	89.4	Confident	83.4	Confident	37 Å²	37	109.1 Å²	109.1	38%	0.381	58%	0.583	S	S	.	*	H	α-helix	trans	-62.5	-42.8	177.4	0	0	0	0	0	112.6	F4 C5 L12	F4-G8 PolarHBondContact O-N 3.02Å; C5-G8 PolarHBondContact O-N 2.96Å; G8-L12 WeakPolarHBondContact O-CG 3.46Å; G8-L12 PolarHBondContact O-N 3.32Å
9	T	88.7	Confident	83.1	Confident	75 Å²	75	107.6 Å²	107.6	46%	0.46	59%	0.587	S	S	.	*	H	α-helix	trans	-68.8	-41.3	176.6	50.4	0	0	0	0	112.3	C5 L6 L11 L12 I13	C5-T9 WeakPolarHBondContact O-CG2 3.45Å; C5-T9 PolarHBondContact O-N 3.23Å; C5-T9 PolarHBondContact O-OG1 3.37Å; L6-T9 WeakPolarHBondContact CA-OG1 3.39Å; L6-T9 PolarHBondContact O-OG1 3.37Å; T9-L11 PolarHBondContact O-N 2.77Å; T9-L12 PolarHBondContact O-N 2.67Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.43Å; T9-I13 PolarHBondContact O-N 2.91Å
10	L	89	Confident	82.5	Confident	98 Å²	98	106.5 Å²	106.5	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-60.9	-44	174.8	-175.9	64.4	0	0	0	111.7	L6 Y7 L12 I13 C14	L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 PolarHBondContact O-N 3.21Å; Y7-L10 PolarHBondContact O-N 3.35Å; L10-L12 PolarHBondContact O-N 2.98Å; L10-I13 PolarHBondContact O-N 3.25Å; L10-C14 WeakPolarHBondContact O-CB 3.41Å; L10-C14 PolarHBondContact O-N 3.22Å; L10-C14 PolarHBondContact O-SG 2.72Å
11	L	89.4	Confident	81.8	Confident	112 Å²	112	108.7 Å²	108.7	59%	0.586	59%	0.588	S	S	*	*	H	α-helix	trans	-62.5	-42.4	177.2	-173	143.9	0	0	0	111.5	Y7 T9 C14 V15	Y7-L11 WeakPolarHBondContact O-CB 3.3Å; Y7-L11 PolarHBondContact O-N 3.45Å; T9-L11 PolarHBondContact O-N 2.77Å; L11-C14 PolarHBondContact O-N 3.43Å; L11-V15 HydrophobicContact CD2-CG2 4.05Å; L11-V15 VanDerWaalsContact O-CG2 3.25Å; L11-V15 WeakPolarHBondContact O-CG2 3.17Å; L11-V15 PolarHBondContact O-N 3.4Å
12	L	87	Confident	81.7	Confident	107 Å²	107	109.8 Å²	109.8	56%	0.56	58%	0.581	S	S	*	*	H	α-helix	trans	-62.2	-45.7	174.7	-72.8	174.6	0	0	0	111.8	G8 T9 L10 C14 V15 Q16	G8-L12 WeakPolarHBondContact O-CG 3.46Å; G8-L12 PolarHBondContact O-N 3.32Å; T9-L12 PolarHBondContact O-N 2.67Å; L10-L12 PolarHBondContact O-N 2.98Å; L12-C14 VanDerWaalsContact C-N 3.32Å; L12-C14 PolarHBondContact O-N 3.46Å; L12-V15 PolarHBondContact O-N 3.49Å; L12-Q16 VanDerWaalsContact O-CG 3.27Å; L12-Q16 WeakPolarHBondContact O-CG 3.44Å; L12-Q16 PolarHBondContact O-N 3.39Å
13	I	88.4	Confident	81.3	Confident	112 Å²	112	109.7 Å²	109.7	57%	0.574	58%	0.581	S	S	*	*	H	α-helix	trans	-60	-44.6	176.4	-66.7	163.8	0	0	0	110.6	T9 L10 Q16 S17	T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.43Å; T9-I13 PolarHBondContact O-N 2.91Å; L10-I13 PolarHBondContact O-N 3.25Å; I13-Q16 PolarHBondContact O-N 2.92Å; I13-S17 PolarHBondContact O-N 3.05Å
14	C	86.8	Confident	80.8	Confident	60 Å²	60	108.7 Å²	108.7	41%	0.405	58%	0.581	S	S	.	*	H	α-helix	trans	-57.9	-50.4	174.9	-71.6	0	0	0	0	110.8	L10 L11 L12 Q16 S17 V18	L10-C14 WeakPolarHBondContact O-CB 3.41Å; L10-C14 PolarHBondContact O-N 3.22Å; L10-C14 PolarHBondContact O-SG 2.72Å; L11-C14 PolarHBondContact O-N 3.43Å; L12-C14 VanDerWaalsContact C-N 3.32Å; L12-C14 PolarHBondContact O-N 3.46Å; C14-Q16 VanDerWaalsContact C-N 3.3Å; C14-Q16 PolarHBondContact O-N 2.87Å; C14-S17 PolarHBondContact O-N 3.46Å; C14-S17 VanDerWaalsContact O-N 3.09Å; C14-S17 PolarHBondContact O-OG 3.37Å; C14-V18 VanDerWaalsContact O-CG2 3.3Å; C14-V18 WeakPolarHBondContact O-CG2 3.31Å; C14-V18 PolarHBondContact O-N 2.96Å
15	V	88	Confident	80.7	Confident	78 Å²	78	102.6 Å²	102.6	47%	0.473	56%	0.556	S	S	.	*	H	α-helix	trans	-57.6	-42	177.8	171	0	0	0	0	111.4	L11 L12 V18 A19	L11-V15 HydrophobicContact CD2-CG2 4.05Å; L11-V15 VanDerWaalsContact O-CG2 3.25Å; L11-V15 WeakPolarHBondContact O-CG2 3.17Å; L11-V15 PolarHBondContact O-N 3.4Å; L12-V15 PolarHBondContact O-N 3.49Å; V15-V18 PolarHBondContact O-N 3.26Å; V15-A19 VanDerWaalsContact O-CB 3.26Å; V15-A19 WeakPolarHBondContact O-CB 3.46Å; V15-A19 PolarHBondContact O-N 2.94Å
16	Q	84.1	Confident	81.1	Confident	123 Å²	123	102.1 Å²	102.1	58%	0.575	55%	0.554	S	S	*	*	H	α-helix	trans	-64.9	-39.7	176	-65.1	-62.8	-25.7	0	0	112.5	L12 I13 C14 S20	L12-Q16 VanDerWaalsContact O-CG 3.27Å; L12-Q16 WeakPolarHBondContact O-CG 3.44Å; L12-Q16 PolarHBondContact O-N 3.39Å; I13-Q16 PolarHBondContact O-N 2.92Å; C14-Q16 VanDerWaalsContact C-N 3.3Å; C14-Q16 PolarHBondContact O-N 2.87Å; Q16-S20 VanDerWaalsContact O-CB 3.29Å; Q16-S20 WeakPolarHBondContact O-CB 3.5Å; Q16-S20 PolarHBondContact O-N 3.26Å; Q16-S20 PolarHBondContact O-OG 2.89Å
17	S	81.6	Confident	81.4	Confident	72 Å²	72	98.9 Å²	98.9	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-67	-39	178.6	72.4	0	0	0	0	112.7	I13 C14 S20 Y21	I13-S17 PolarHBondContact O-N 3.05Å; C14-S17 PolarHBondContact O-N 3.46Å; C14-S17 VanDerWaalsContact O-N 3.09Å; C14-S17 PolarHBondContact O-OG 3.37Å; S17-S20 PolarHBondContact O-N 2.87Å; S17-Y21 PolarHBondContact O-N 3.32Å
18	V	79.9	Confident	81.6	Confident	105 Å²	105	91.5 Å²	91.5	64%	0.636	51%	0.509	S	S	*	.	H	α-helix	trans	-74.3	-39	178	-173.3	0	0	0	0	110.5	C14 V15 S20 Y21	C14-V18 VanDerWaalsContact O-CG2 3.3Å; C14-V18 WeakPolarHBondContact O-CG2 3.31Å; C14-V18 PolarHBondContact O-N 2.96Å; V15-V18 PolarHBondContact O-N 3.26Å; V18-S20 PolarHBondContact O-N 3.33Å; V18-Y21 VanDerWaalsContact O-CB 3.22Å; V18-Y21 WeakPolarHBondContact O-CB 3.28Å; V18-Y21 PolarHBondContact O-N 2.86Å; V18-Y21 VanDerWaalsContact O-N 3.13Å
19	A	77.1	Confident	81.7	Confident	80 Å²	80	95 Å²	95	66%	0.661	52%	0.518	S	S	*	.	H	α-helix	trans	-63.5	-31.4	173.5	0	0	0	0	0	112.5	V15 Y21	V15-A19 VanDerWaalsContact O-CB 3.26Å; V15-A19 WeakPolarHBondContact O-CB 3.46Å; V15-A19 PolarHBondContact O-N 2.94Å; A19-Y21 VanDerWaalsContact C-N 3.32Å
20	S	71.4	Confident	81.9	Confident	85 Å²	85	95 Å²	95	59%	0.594	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	0.8	176.6	-56.7	0	0	0	0	113.6	Q16 S17 V18 R22	Q16-S20 VanDerWaalsContact O-CB 3.29Å; Q16-S20 WeakPolarHBondContact O-CB 3.5Å; Q16-S20 PolarHBondContact O-N 3.26Å; Q16-S20 PolarHBondContact O-OG 2.89Å; S17-S20 PolarHBondContact O-N 2.87Å; V18-S20 PolarHBondContact O-N 3.33Å; S20-R22 PolarHBondContact O-N 3.37Å
21	Y	68	Low	82.2	Confident	154 Å²	154	91.8 Å²	91.8	60%	0.604	50%	0.498	S	S	*	.			trans	-57.4	114.6	175.6	-176.3	-104.1	0	0	0	108.6	S17 V18 A19 K23 M84	S17-Y21 PolarHBondContact O-N 3.32Å; V18-Y21 VanDerWaalsContact O-CB 3.22Å; V18-Y21 WeakPolarHBondContact O-CB 3.28Å; V18-Y21 PolarHBondContact O-N 2.86Å; V18-Y21 VanDerWaalsContact O-N 3.13Å; A19-Y21 VanDerWaalsContact C-N 3.32Å; Y21-K23 VanDerWaalsContact C-N 3.35Å; Y21-K23 PolarHBondContact O-N 3.49Å; Y21-M84 WeakPolarHBondContact OH-CE 3.24Å
22	R	62.6	Low	82.4	Confident	221 Å²	221	86.8 Å²	86.8	83%	0.834	47%	0.471	S	S	*	.			trans	-60.7	97.3	-177.2	-70.2	-100.3	-177.1	105.3	0.1	107.8	S20 G24	S20-R22 PolarHBondContact O-N 3.37Å; R22-G24 PolarHBondContact O-N 3.36Å; R22-G24 VanDerWaalsContact O-N 3.11Å
23	K	63.2	Low	82.9	Confident	187 Å²	187	84 Å²	84	81%	0.813	46%	0.457	S	S	*	.			trans	-52	120.1	161.9	-171	173.4	-175.7	178.6	0	105.9	Y21 N25	Y21-K23 VanDerWaalsContact C-N 3.35Å; Y21-K23 PolarHBondContact O-N 3.49Å; K23-N25 PolarHBondContact O-N 2.92Å
24	G	66.9	Low	83.3	Confident	45 Å²	45	83.4 Å²	83.4	46%	0.464	45%	0.452	S	S	.	.			trans	-47.2	138.7	174.7	0	0	0	0	0	109.1	R22 S26	R22-G24 PolarHBondContact O-N 3.36Å; R22-G24 VanDerWaalsContact O-N 3.11Å; G24-S26 PolarHBondContact O-N 3.1Å
25	N	78.5	Confident	83.8	Confident	41 Å²	41	81.6 Å²	81.6	22%	0.219	44%	0.444	C	S	.	.			trans	-68	99.2	179	-173.3	13.2	0	0	0	108	K23 D27 C28 Q81	K23-N25 PolarHBondContact O-N 2.92Å; N25-D27 PolarHBondContact O-N 3.34Å; N25-D27 WeakPolarHBondContact OD1-CB 3.44Å; N25-D27 VanDerWaalsContact OD1-CG 3.28Å; N25-D27 PolarHBondContact OD1-N 2.9Å; N25-D27 PolarHBondContact OD1-OD2 3.27Å; N25-C28 WeakPolarHBondContact O-CB 3.31Å; N25-C28 PolarHBondContact O-N 2.98Å; N25-Q81 VanDerWaalsContact CB-OE1 3.24Å
26	S	87.7	Confident	84.2	Confident	74 Å²	74	84.1 Å²	84.1	52%	0.517	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-57.7	-21.6	-179.8	49.6	0	0	0	0	112.6	G24 C28 L29	G24-S26 PolarHBondContact O-N 3.1Å; S26-C28 PolarHBondContact O-N 3.21Å; S26-L29 PolarHBondContact O-N 3.34Å; S26-L29 VanDerWaalsContact O-N 3.12Å
27	D	93	Very high	84.9	Confident	52 Å²	52	80.9 Å²	80.9	28%	0.278	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-57.5	-37.3	175.3	-64.1	-16.2	0	0	0	111.7	N25 L29 L30 N66	N25-D27 PolarHBondContact O-N 3.34Å; N25-D27 WeakPolarHBondContact OD1-CB 3.44Å; N25-D27 VanDerWaalsContact OD1-CG 3.28Å; N25-D27 PolarHBondContact OD1-N 2.9Å; N25-D27 PolarHBondContact OD1-OD2 3.27Å; D27-L29 PolarHBondContact O-N 3.27Å; D27-L29 VanDerWaalsContact O-N 3.07Å; D27-L30 WeakPolarHBondContact O-CB 3.45Å; D27-L30 PolarHBondContact O-N 2.73Å; D27-L30 VanDerWaalsContact O-N 3.07Å; D27-N66 VanDerWaalsContact O-CB 3.23Å; D27-N66 WeakPolarHBondContact O-CB 2.97Å
28	C	93.9	Very high	85.7	Confident	4 Å²	4	89.1 Å²	89.1	3%	0.027	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-65.5	-13.6	-179.1	-55.4	0	0	0	0	113.5	N25 S26 Y46 C78	N25-C28 WeakPolarHBondContact O-CB 3.31Å; N25-C28 PolarHBondContact O-N 2.98Å; S26-C28 PolarHBondContact O-N 3.21Å; C28-Y46 HydrophobicContact CB-CD1 3.98Å; C28-Y46 WeakPolarHBondContact O-CD1 3.44Å; C28-C78 HydrophobicContact CB-CB 3.63Å; C28-C78 WeakPolarHBondContact CB-SG 3.28Å; C28-C78 WeakPolarHBondContact SG-CA 3.46Å; C28-C78 WeakPolarHBondContact SG-CB 3.23Å; C28-C78 CovalentContact SG-SG 2.03Å; C28-C78 PolarHBondContact SG-SG 2.91Å
29	L	90.9	Very high	86.5	Confident	109 Å²	109	86.2 Å²	86.2	57%	0.571	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-98.7	-7.2	178.5	-58.9	176.9	0	0	0	113.1	S26 D27	S26-L29 PolarHBondContact O-N 3.34Å; S26-L29 VanDerWaalsContact O-N 3.12Å; D27-L29 PolarHBondContact O-N 3.27Å; D27-L29 VanDerWaalsContact O-N 3.07Å
30	L	93	Very high	87.5	Confident	76 Å²	76	89.4 Å²	89.4	40%	0.398	46%	0.456	S	S	.	.	S	Bend	trans	-79.9	152.8	175.4	-55.6	176.9	0	0	0	109.5	D27 N64 N66	D27-L30 WeakPolarHBondContact O-CB 3.45Å; D27-L30 PolarHBondContact O-N 2.73Å; D27-L30 VanDerWaalsContact O-N 3.07Å; L30-N64 HydrophobicContact CD1-CB 3.95Å; L30-N66 HydrophobicContact CB-CB 4.34Å; L30-N66 PolarHBondContact O-ND2 2.96Å
31	D	94.1	Very high	88.8	Confident	30 Å²	30	88.6 Å²	88.6	16%	0.16	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-69.9	165.2	165.7	-47.2	-44.1	0	0	0	110.1	N64 S119	D31-N64 PolarHBondContact O-ND2 3.43Å; D31-N64 PolarHBondContact O-OD1 3.19Å; D31-S119 VanDerWaalsContact CG-CA 3.5Å; D31-S119 WeakPolarHBondContact OD1-CA 3.39Å; D31-S119 WeakPolarHBondContact OD2-CA 3.48Å; D31-S119 WeakPolarHBondContact OD2-CB 3.44Å; D31-S119 PolarHBondContact OD2-N 3.46Å
32	Y	95.2	Very high	90.2	Very high	7 Å²	7	86.9 Å²	86.9	3%	0.027	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-62.4	150	166.7	70.2	-94.3	0	0	0	111.7	E34 Y45 F56 K116 P117	Y32-E34 HydrophobicContact CD2-CG 4.27Å; Y32-E34 HydrophobicContact CE2-CG 4.11Å; Y32-Y45 HydrophobicContact CD1-CD1 4.06Å; Y32-Y45 HydrophobicContact CD1-CD2 4.03Å; Y32-Y45 AromaticContact CD1-CE1 3.82Å; Y32-Y45 HydrophobicContact CD1-CE1 3.82Å; Y32-Y45 AromaticContact CD1-CE2 3.77Å; Y32-Y45 HydrophobicContact CD1-CE2 3.77Å; Y32-Y45 HydrophobicContact CD1-CG 4.18Å; Y32-Y45 AromaticContact CD1-CZ 3.69Å; Y32-Y45 HydrophobicContact CE1-CE1 4.41Å; Y32-Y45 HydrophobicContact CG-CD1 4.3Å; Y32-Y45 HydrophobicContact CG-CD2 4.47Å; Y32-Y45 HydrophobicContact CG-CE1 4.47Å; Y32-Y45 HydrophobicContact CG-CG 4.32Å; Y32-F56 HydrophobicContact CD2-CB 3.95Å; Y32-F56 AromaticContact CD2-CD2 3.65Å; Y32-F56 HydrophobicContact CD2-CD2 3.65Å; Y32-F56 HydrophobicContact CD2-CE2 4.4Å; Y32-F56 AromaticContact CD2-CG 3.99Å; Y32-F56 HydrophobicContact CD2-CG 3.99Å; Y32-F56 HydrophobicContact CE2-CB 4.39Å; Y32-F56 HydrophobicContact CG-CB 4.05Å; Y32-F56 HydrophobicContact CG-CD2 4.06Å; Y32-F56 HydrophobicContact CG-CG 4.05Å; Y32-K116 HydrophobicContact CE1-CG 4.39Å; Y32-K116 HydrophobicContact CE2-CG 4.32Å; Y32-K116 WeakPolarHBondContact O-CE 3.47Å; Y32-K116 PolarHBondContact O-NZ 2.85Å; Y32-K116 WeakPolarHBondContact OH-CA 3.05Å; Y32-P117 HydrophobicContact CE1-CG 4.44Å
33	D	97	Very high	91.9	Very high	50 Å²	50	78.7 Å²	78.7	27%	0.267	41%	0.409	S	S	.	.			trans	-133.3	115.3	176.7	-168.9	6.9	0	0	0	111.1	G35 N64	D33-G35 PolarHBondContact O-N 2.87Å; D33-G35 PolarHBondContact OD1-N 2.9Å; D33-G35 VanDerWaalsContact OD1-N 3.08Å; D33-N64 HydrophobicContact CB-CB 4.35Å; D33-N64 WeakPolarHBondContact CB-ND2 3.42Å
34	E	97.2	Very high	93.6	Very high	98 Å²	98	71.2 Å²	71.2	46%	0.458	38%	0.377	S	S	.	.			trans	-67.9	-27.6	178	-56	-177.4	-178.9	0	0	111	Y32 Y57 Y58 G59	Y32-E34 HydrophobicContact CD2-CG 4.27Å; Y32-E34 HydrophobicContact CE2-CG 4.11Å; E34-Y57 WeakPolarHBondContact CG-O 3.35Å; E34-Y58 WeakPolarHBondContact O-CD2 3.32Å; E34-G59 VanDerWaalsContact O-CA 3.25Å; E34-G59 WeakPolarHBondContact O-CA 3.38Å; E34-G59 PolarHBondContact O-N 3.41Å
35	G	96.9	Very high	95	Very high	23 Å²	23	69.9 Å²	69.9	24%	0.237	36%	0.358	C	S	.	.			trans	71.5	-172.8	-173.9	0	0	0	0	0	113.5	D33 C61 L62	D33-G35 PolarHBondContact O-N 2.87Å; D33-G35 PolarHBondContact OD1-N 2.9Å; D33-G35 VanDerWaalsContact OD1-N 3.08Å; G35-C61 WeakPolarHBondContact CA-O 3.33Å; G35-L62 VanDerWaalsContact CA-O 3.3Å; G35-L62 WeakPolarHBondContact CA-O 3.39Å
36	I	96.9	Very high	95.8	Very high	130 Å²	130	68.4 Å²	68.4	67%	0.667	35%	0.349	S	S	*	.	S	Bend	trans	-91.1	-17.2	-172.1	70.4	168	0	0	0	114.3	C61 L62	I36-C61 VanDerWaalsContact CG1-SG 3.55Å; I36-L62 HydrophobicContact CD1-CD1 3.57Å; I36-L62 HydrophobicContact CG1-CB 4.48Å; I36-L62 HydrophobicContact CG1-CD1 3.84Å; I36-L62 HydrophobicContact CG1-CG 4.37Å; I36-L62 HydrophobicContact CG2-CD1 4.43Å
37	C	98.4	Very high	96.2	Very high	56 Å²	56	66 Å²	66	38%	0.378	33%	0.33	S	S	.	.	S	Bend	trans	-78.1	167.2	-178.9	-73.4	0	0	0	0	111.1	G59 C61	C37-G59 CarbonylContact C-O 3.52Å; C37-G59 VanDerWaalsContact C-O 3.27Å; C37-G59 WeakPolarHBondContact CB-O 3.23Å; C37-G59 VanDerWaalsContact O-CA 3.24Å; C37-G59 WeakPolarHBondContact O-CA 3.41Å; C37-C61 HydrophobicContact CB-CB 3.91Å; C37-C61 WeakPolarHBondContact CB-SG 3.01Å; C37-C61 PolarHBondContact N-SG 2.91Å; C37-C61 WeakPolarHBondContact SG-CB 3.37Å; C37-C61 CovalentContact SG-SG 2.02Å; C37-C61 PolarHBondContact SG-SG 2.76Å
38	R	97.3	Very high	96	Very high	245 Å²	245	65.1 Å²	65.1	93%	0.925	33%	0.328	S	S	*	.			trans	-118.1	20.5	-169.2	-60	-177.6	-179	171.7	-0.6	114.6	G59	R38-G59 PolarHBondContact N-O 2.82Å
39	A	97.8	Very high	95.8	Very high	44 Å²	44	69.7 Å²	69.7	36%	0.364	36%	0.356	S	S	.	.			trans	-72.4	155.4	170.1	0	0	0	0	0	110.4	L41 Y58 G59	A39-L41 HydrophobicContact CB-CD1 4.27Å; A39-L41 HydrophobicContact CB-CD2 4.28Å; A39-L41 HydrophobicContact CB-CG 3.88Å; A39-Y58 VanDerWaalsContact O-O 3.14Å; A39-G59 VanDerWaalsContact CB-O 3.23Å; A39-G59 WeakPolarHBondContact CB-O 3.42Å; A39-G59 PolarHBondContact N-O 3.16Å; A39-G59 WeakPolarHBondContact O-CA 3.38Å
40	L	97.5	Very high	95.8	Very high	147 Å²	147	69.3 Å²	69.3	77%	0.77	36%	0.355	S	S	*	.			trans	-108.4	74.7	174.4	-70.4	174.4	0	0	0	109.3	Y57	L40-Y57 HydrophobicContact CB-CD1 4.43Å
41	L	98.2	Very high	95.7	Very high	67 Å²	67	70.9 Å²	70.9	35%	0.351	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.3	-178.6	-53.4	177.7	0	0	0	109.6	A39 R43 Y57 Y58	A39-L41 HydrophobicContact CB-CD1 4.27Å; A39-L41 HydrophobicContact CB-CD2 4.28Å; A39-L41 HydrophobicContact CB-CG 3.88Å; L41-R43 PolarHBondContact O-N 3.04Å; L41-Y57 WeakPolarHBondContact O-CA 3.41Å; L41-Y58 VanDerWaalsContact CB-O 3.31Å; L41-Y58 WeakPolarHBondContact CB-O 3.3Å; L41-Y58 HydrophobicContact CD1-CD1 4.12Å; L41-Y58 PolarHBondContact N-O 2.9Å; L41-Y58 VanDerWaalsContact N-O 3.12Å; L41-Y58 PolarHBondContact O-N 3.38Å
42	K	98.2	Very high	95.7	Very high	119 Å²	119	72.2 Å²	72.2	52%	0.517	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	123.5	171.9	-176.7	-179.9	177.9	174.5	0	109.5	I55 Y57	K42-I55 HydrophobicContact CD-CG2 4.46Å; K42-I55 VanDerWaalsContact CE-CD1 3.44Å; K42-I55 HydrophobicContact CG-CG2 3.84Å; K42-Y57 HydrophobicContact CB-CE1 4.42Å
43	R	98.5	Very high	95.8	Very high	48 Å²	48	72.4 Å²	72.4	18%	0.181	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	169.7	176.7	-64.9	-63.6	177	81.3	0.1	109.8	L41 I55 F56 Y58 N67 F68	L41-R43 PolarHBondContact O-N 3.04Å; R43-I55 WeakPolarHBondContact O-CA 3.46Å; R43-F56 HydrophobicContact CB-CD1 3.91Å; R43-F56 HydrophobicContact CB-CE1 3.42Å; R43-F56 VanDerWaalsContact CB-CE1 3.42Å; R43-F56 HydrophobicContact CB-CZ 3.81Å; R43-F56 HydrophobicContact CG-CZ 4.49Å; R43-F56 PolarHBondContact N-O 3.31Å; R43-F56 PolarHBondContact O-N 2.78Å; R43-Y58 HydrophobicContact CG-CD1 4.5Å; R43-Y58 HydrophobicContact CG-CG 4.41Å; R43-Y58 VanDerWaalsContact NH1-CD1 3.29Å; R43-N67 WeakPolarHBondContact CB-OD1 3.11Å; R43-N67 VanDerWaalsContact CD-OD1 3.24Å; R43-N67 WeakPolarHBondContact CD-OD1 3.47Å; R43-N67 WeakPolarHBondContact CG-OD1 3.02Å; R43-N67 PolarHBondContact NH1-OD1 3.27Å; R43-F68 WeakPolarHBondContact CA-O 3.04Å
44	F	98.2	Very high	95.8	Very high	30 Å²	30	73.2 Å²	73.2	13%	0.132	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.1	173.5	-64.2	-96	0	0	0	109.9	E54 I55 F68 K71 C74	F44-E54 CarbonylContact C-O 3.52Å; F44-E54 WeakPolarHBondContact CA-O 3.35Å; F44-I55 HydrophobicContact CD1-CG1 3.97Å; F44-I55 HydrophobicContact CE1-CD1 4.25Å; F44-I55 HydrophobicContact CE1-CG1 3.56Å; F44-I55 HydrophobicContact CZ-CG1 4.08Å; F44-F68 HydrophobicContact CB-CB 4.32Å; F44-F68 PolarHBondContact N-O 3.01Å; F44-F68 WeakPolarHBondContact O-CD2 3.2Å; F44-F68 PolarHBondContact O-N 3.03Å; F44-K71 HydrophobicContact CD1-CB 3.85Å; F44-K71 HydrophobicContact CD1-CG 4.08Å; F44-K71 HydrophobicContact CE1-CB 3.65Å; F44-K71 HydrophobicContact CE1-CG 4.07Å; F44-K71 HydrophobicContact CG-CB 4.4Å; F44-K71 HydrophobicContact CZ-CB 4.06Å; F44-C74 HydrophobicContact CB-CB 4.13Å
45	Y	97.3	Very high	95.8	Very high	18 Å²	18	72.6 Å²	72.6	7%	0.071	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	156.8	169.1	80.1	-77	0	0	0	108.7	Y32 D47 C53 E54 F56 N66	Y32-Y45 HydrophobicContact CD1-CD1 4.06Å; Y32-Y45 HydrophobicContact CD1-CD2 4.03Å; Y32-Y45 AromaticContact CD1-CE1 3.82Å; Y32-Y45 HydrophobicContact CD1-CE1 3.82Å; Y32-Y45 AromaticContact CD1-CE2 3.77Å; Y32-Y45 HydrophobicContact CD1-CE2 3.77Å; Y32-Y45 HydrophobicContact CD1-CG 4.18Å; Y32-Y45 AromaticContact CD1-CZ 3.69Å; Y32-Y45 HydrophobicContact CE1-CE1 4.41Å; Y32-Y45 HydrophobicContact CG-CD1 4.3Å; Y32-Y45 HydrophobicContact CG-CD2 4.47Å; Y32-Y45 HydrophobicContact CG-CE1 4.47Å; Y32-Y45 HydrophobicContact CG-CG 4.32Å; Y45-D47 HydrophobicContact CE2-CB 3.97Å; Y45-C53 CarbonylContact O-C 3.27Å; Y45-C53 WeakPolarHBondContact O-CA 3.22Å; Y45-E54 HydrophobicContact CD1-CB 4.13Å; Y45-E54 WeakPolarHBondContact CD1-O 3.48Å; Y45-E54 HydrophobicContact CE1-CB 3.49Å; Y45-E54 VanDerWaalsContact CE1-CB 3.49Å; Y45-E54 PolarHBondContact N-O 2.81Å; Y45-E54 PolarHBondContact O-N 3.01Å; Y45-E54 PolarHBondContact OH-OE2 3.24Å; Y45-F56 HydrophobicContact CD1-CB 4.05Å; Y45-F56 AromaticContact CD1-CD1 3.8Å; Y45-F56 HydrophobicContact CD1-CD1 3.8Å; Y45-F56 HydrophobicContact CD1-CG 4.24Å; Y45-F56 HydrophobicContact CE1-CB 4.42Å; Y45-F56 HydrophobicContact CG-CD1 4.22Å; Y45-N66 VanDerWaalsContact CB-O 3.28Å; Y45-N66 WeakPolarHBondContact CB-O 3.32Å
46	Y	95.8	Very high	95.9	Very high	9 Å²	9	72 Å²	72	4%	0.035	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.6	173.2	-171.9	-114.1	0	0	0	110	C28 S48 T52 N66 C78 I82	C28-Y46 HydrophobicContact CB-CD1 3.98Å; C28-Y46 WeakPolarHBondContact O-CD1 3.44Å; Y46-S48 PolarHBondContact O-N 3.28Å; Y46-T52 WeakPolarHBondContact CD2-O 2.82Å; Y46-N66 PolarHBondContact N-OD1 3.44Å; Y46-N66 PolarHBondContact O-ND2 3.35Å; Y46-C78 HydrophobicContact CD1-CB 3.59Å; Y46-C78 HydrophobicContact CD2-CB 3.57Å; Y46-C78 HydrophobicContact CE1-CB 4.03Å; Y46-C78 HydrophobicContact CE2-CB 4.06Å; Y46-C78 HydrophobicContact CG-CB 3.31Å; Y46-I82 HydrophobicContact CE1-CD1 3.72Å; Y46-I82 HydrophobicContact CE1-CG1 4.07Å; Y46-I82 WeakPolarHBondContact OH-CD1 3.18Å; Y46-I82 WeakPolarHBondContact OH-CG1 3.46Å
47	D	94.4	Very high	95.9	Very high	23 Å²	23	72.1 Å²	72.1	12%	0.123	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	103.6	166.7	-175.3	-14.8	0	0	0	108.6	Y45 V49 N50 Q51 T52	Y45-D47 HydrophobicContact CE2-CB 3.97Å; D47-V49 PolarHBondContact O-N 2.72Å; D47-V49 WeakPolarHBondContact OD1-CA 3.1Å; D47-V49 VanDerWaalsContact OD1-CB 3.28Å; D47-V49 WeakPolarHBondContact OD1-CB 3.45Å; D47-V49 PolarHBondContact OD1-N 3.49Å; D47-N50 HydrophobicContact CB-CB 4.38Å; D47-N50 PolarHBondContact OD1-N 2.89Å; D47-N50 PolarHBondContact OD2-ND2 3.33Å; D47-Q51 WeakPolarHBondContact O-CA 3.46Å; D47-Q51 PolarHBondContact O-N 3.47Å; D47-T52 PolarHBondContact N-O 3.28Å; D47-T52 PolarHBondContact O-N 3.1Å
48	S	90.3	Very high	95.9	Very high	34 Å²	34	70.9 Å²	70.9	24%	0.238	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.5	178.5	61.3	0	0	0	0	114.1	Y46	Y46-S48 PolarHBondContact O-N 3.28Å
49	V	88.4	Confident	96	Very high	100 Å²	100	59.4 Å²	59.4	61%	0.606	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-50.3	177.8	-179	0	0	0	0	110	D47 Q51	D47-V49 PolarHBondContact O-N 2.72Å; D47-V49 WeakPolarHBondContact OD1-CA 3.1Å; D47-V49 VanDerWaalsContact OD1-CB 3.28Å; D47-V49 WeakPolarHBondContact OD1-CB 3.45Å; D47-V49 PolarHBondContact OD1-N 3.49Å; V49-Q51 VanDerWaalsContact C-N 3.34Å
50	N	91.3	Very high	96	Very high	102 Å²	102	59 Å²	59	55%	0.545	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-9	-180	-68.1	-47.5	0	0	0	113.2	D47 T52	D47-N50 HydrophobicContact CB-CB 4.38Å; D47-N50 PolarHBondContact OD1-N 2.89Å; D47-N50 PolarHBondContact OD2-ND2 3.33Å; N50-T52 HydrophobicContact CB-CG2 4.41Å; N50-T52 VanDerWaalsContact CB-OG1 3.32Å; N50-T52 WeakPolarHBondContact CB-OG1 3.49Å; N50-T52 PolarHBondContact O-N 2.91Å
51	Q	91.3	Very high	96	Very high	109 Å²	109	53.6 Å²	53.6	51%	0.509	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	30.4	-175.7	-45.4	-167.4	-8.9	0	0	113.4	D47 V49 I82	D47-Q51 WeakPolarHBondContact O-CA 3.46Å; D47-Q51 PolarHBondContact O-N 3.47Å; V49-Q51 VanDerWaalsContact C-N 3.34Å; Q51-I82 HydrophobicContact CB-CD1 4.3Å; Q51-I82 HydrophobicContact CG-CD1 3.73Å
52	T	94.6	Very high	95.9	Very high	57 Å²	57	56.1 Å²	56.1	35%	0.35	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	152.8	-174.1	44.9	0	0	0	0	111.3	Y46 D47 N50 E54	Y46-T52 WeakPolarHBondContact CD2-O 2.82Å; D47-T52 PolarHBondContact N-O 3.28Å; D47-T52 PolarHBondContact O-N 3.1Å; N50-T52 HydrophobicContact CB-CG2 4.41Å; N50-T52 VanDerWaalsContact CB-OG1 3.32Å; N50-T52 WeakPolarHBondContact CB-OG1 3.49Å; N50-T52 PolarHBondContact O-N 2.91Å; T52-E54 PolarHBondContact OG1-OE1 2.71Å
53	C	96.6	Very high	95.8	Very high	11 Å²	11	51.9 Å²	51.9	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.2	166.3	-75	0	0	0	0	109.5	Y45 K71 C74 E75	Y45-C53 CarbonylContact O-C 3.27Å; Y45-C53 WeakPolarHBondContact O-CA 3.22Å; C53-K71 HydrophobicContact CB-CG 3.94Å; C53-C74 HydrophobicContact CB-CB 3.73Å; C53-C74 WeakPolarHBondContact CB-SG 3.43Å; C53-C74 WeakPolarHBondContact SG-CB 3.04Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 2.79Å; C53-E75 HydrophobicContact CB-CG 4.06Å; C53-E75 PolarHBondContact SG-N 2.88Å
54	E	97.2	Very high	95.7	Very high	67 Å²	67	51.6 Å²	51.6	31%	0.313	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	160.7	-172.6	-66.3	-174.9	-175.4	0	0	111.6	F44 Y45 T52	F44-E54 CarbonylContact C-O 3.52Å; F44-E54 WeakPolarHBondContact CA-O 3.35Å; Y45-E54 HydrophobicContact CD1-CB 4.13Å; Y45-E54 WeakPolarHBondContact CD1-O 3.48Å; Y45-E54 HydrophobicContact CE1-CB 3.49Å; Y45-E54 VanDerWaalsContact CE1-CB 3.49Å; Y45-E54 PolarHBondContact N-O 2.81Å; Y45-E54 PolarHBondContact O-N 3.01Å; Y45-E54 PolarHBondContact OH-OE2 3.24Å; T52-E54 PolarHBondContact OG1-OE1 2.71Å
55	I	97.7	Very high	95.6	Very high	86 Å²	86	51.5 Å²	51.5	44%	0.441	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	140.4	-178.1	-66.2	159.2	0	0	0	110	K42 R43 F44	K42-I55 HydrophobicContact CD-CG2 4.46Å; K42-I55 VanDerWaalsContact CE-CD1 3.44Å; K42-I55 HydrophobicContact CG-CG2 3.84Å; R43-I55 WeakPolarHBondContact O-CA 3.46Å; F44-I55 HydrophobicContact CD1-CG1 3.97Å; F44-I55 HydrophobicContact CE1-CD1 4.25Å; F44-I55 HydrophobicContact CE1-CG1 3.56Å; F44-I55 HydrophobicContact CZ-CG1 4.08Å
56	F	97.8	Very high	95.5	Very high	9 Å²	9	50.6 Å²	50.6	4%	0.039	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	170.1	163.7	79.3	-72.3	0	0	0	110.6	Y32 R43 Y45 N67	Y32-F56 HydrophobicContact CD2-CB 3.95Å; Y32-F56 AromaticContact CD2-CD2 3.65Å; Y32-F56 HydrophobicContact CD2-CD2 3.65Å; Y32-F56 HydrophobicContact CD2-CE2 4.4Å; Y32-F56 AromaticContact CD2-CG 3.99Å; Y32-F56 HydrophobicContact CD2-CG 3.99Å; Y32-F56 HydrophobicContact CE2-CB 4.39Å; Y32-F56 HydrophobicContact CG-CB 4.05Å; Y32-F56 HydrophobicContact CG-CD2 4.06Å; Y32-F56 HydrophobicContact CG-CG 4.05Å; R43-F56 HydrophobicContact CB-CD1 3.91Å; R43-F56 HydrophobicContact CB-CE1 3.42Å; R43-F56 VanDerWaalsContact CB-CE1 3.42Å; R43-F56 HydrophobicContact CB-CZ 3.81Å; R43-F56 HydrophobicContact CG-CZ 4.49Å; R43-F56 PolarHBondContact N-O 3.31Å; R43-F56 PolarHBondContact O-N 2.78Å; Y45-F56 HydrophobicContact CD1-CB 4.05Å; Y45-F56 AromaticContact CD1-CD1 3.8Å; Y45-F56 HydrophobicContact CD1-CD1 3.8Å; Y45-F56 HydrophobicContact CD1-CG 4.24Å; Y45-F56 HydrophobicContact CE1-CB 4.42Å; Y45-F56 HydrophobicContact CG-CD1 4.22Å; F56-N67 HydrophobicContact CE1-CB 4.42Å; F56-N67 HydrophobicContact CZ-CB 3.94Å
57	Y	98	Very high	95.6	Very high	133 Å²	133	51.5 Å²	51.5	52%	0.522	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.8	177.2	-69	-79.2	0	0	0	110.8	E34 L40 L41 K42	E34-Y57 WeakPolarHBondContact CG-O 3.35Å; L40-Y57 HydrophobicContact CB-CD1 4.43Å; L41-Y57 WeakPolarHBondContact O-CA 3.41Å; K42-Y57 HydrophobicContact CB-CE1 4.42Å
58	Y	98.3	Very high	95.8	Very high	30 Å²	30	50.5 Å²	50.5	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.4	177.7	175.6	-125.8	0	0	0	111.2	E34 A39 L41 R43 G60 C61 N67	E34-Y58 WeakPolarHBondContact O-CD2 3.32Å; A39-Y58 VanDerWaalsContact O-O 3.14Å; L41-Y58 VanDerWaalsContact CB-O 3.31Å; L41-Y58 WeakPolarHBondContact CB-O 3.3Å; L41-Y58 HydrophobicContact CD1-CD1 4.12Å; L41-Y58 PolarHBondContact N-O 2.9Å; L41-Y58 VanDerWaalsContact N-O 3.12Å; L41-Y58 PolarHBondContact O-N 3.38Å; R43-Y58 HydrophobicContact CG-CD1 4.5Å; R43-Y58 HydrophobicContact CG-CG 4.41Å; R43-Y58 VanDerWaalsContact NH1-CD1 3.29Å; Y58-G60 VanDerWaalsContact CE1-C 3.46Å; Y58-G60 VanDerWaalsContact CZ-C 3.43Å; Y58-G60 PolarHBondContact O-N 2.87Å; Y58-C61 VanDerWaalsContact CZ-N 3.34Å; Y58-C61 WeakPolarHBondContact OH-CA 3.37Å; Y58-C61 PolarHBondContact OH-N 3.34Å; Y58-C61 VanDerWaalsContact OH-N 3.16Å; Y58-N67 WeakPolarHBondContact CD2-ND2 3.4Å; Y58-N67 VanDerWaalsContact CG-ND2 3.33Å
59	G	98.1	Very high	96.2	Very high	5 Å²	5	54.9 Å²	54.9	5%	0.052	31%	0.305	C	S	.	.			trans	-65.1	-16.2	-180	0	0	0	0	0	114.7	E34 C37 R38 A39	E34-G59 VanDerWaalsContact O-CA 3.25Å; E34-G59 WeakPolarHBondContact O-CA 3.38Å; E34-G59 PolarHBondContact O-N 3.41Å; C37-G59 CarbonylContact C-O 3.52Å; C37-G59 VanDerWaalsContact C-O 3.27Å; C37-G59 WeakPolarHBondContact CB-O 3.23Å; C37-G59 VanDerWaalsContact O-CA 3.24Å; C37-G59 WeakPolarHBondContact O-CA 3.41Å; R38-G59 PolarHBondContact N-O 2.82Å; A39-G59 VanDerWaalsContact CB-O 3.23Å; A39-G59 WeakPolarHBondContact CB-O 3.42Å; A39-G59 PolarHBondContact N-O 3.16Å; A39-G59 WeakPolarHBondContact O-CA 3.38Å
60	G	97.6	Very high	96.6	Very high	36 Å²	36	51.9 Å²	51.9	37%	0.371	29%	0.289	S	S	.	.	S	Bend	trans	100.5	-7.2	176.4	0	0	0	0	0	115.3	Y58	Y58-G60 VanDerWaalsContact CE1-C 3.46Å; Y58-G60 VanDerWaalsContact CZ-C 3.43Å; Y58-G60 PolarHBondContact O-N 2.87Å
61	C	98	Very high	96.9	Very high	32 Å²	32	51.3 Å²	51.3	22%	0.216	28%	0.282	C	S	.	.	S	Bend	trans	-150.6	158.1	173.4	76.2	0	0	0	0	112.2	G35 I36 C37 Y58 G63	G35-C61 WeakPolarHBondContact CA-O 3.33Å; I36-C61 VanDerWaalsContact CG1-SG 3.55Å; C37-C61 HydrophobicContact CB-CB 3.91Å; C37-C61 WeakPolarHBondContact CB-SG 3.01Å; C37-C61 PolarHBondContact N-SG 2.91Å; C37-C61 WeakPolarHBondContact SG-CB 3.37Å; C37-C61 CovalentContact SG-SG 2.02Å; C37-C61 PolarHBondContact SG-SG 2.76Å; Y58-C61 VanDerWaalsContact CZ-N 3.34Å; Y58-C61 WeakPolarHBondContact OH-CA 3.37Å; Y58-C61 PolarHBondContact OH-N 3.34Å; Y58-C61 VanDerWaalsContact OH-N 3.16Å; C61-G63 PolarHBondContact O-N 3.46Å
62	L	96.8	Very high	97.2	Very high	120 Å²	120	52 Å²	52	63%	0.628	29%	0.285	S	S	*	.	S	Bend	trans	50.1	45.3	173.2	-56.4	-172.7	0	0	0	115.4	G35 I36	G35-L62 VanDerWaalsContact CA-O 3.3Å; G35-L62 WeakPolarHBondContact CA-O 3.39Å; I36-L62 HydrophobicContact CD1-CD1 3.57Å; I36-L62 HydrophobicContact CG1-CB 4.48Å; I36-L62 HydrophobicContact CG1-CD1 3.84Å; I36-L62 HydrophobicContact CG1-CG 4.37Å; I36-L62 HydrophobicContact CG2-CD1 4.43Å
63	G	95.2	Very high	97.3	Very high	30 Å²	30	51.5 Å²	51.5	31%	0.309	28%	0.279	S	S	.	.			trans	-95.4	-165.5	168	0	0	0	0	0	110.9	C61	C61-G63 PolarHBondContact O-N 3.46Å
64	N	96.1	Very high	97.3	Very high	43 Å²	43	51 Å²	51	23%	0.23	28%	0.275	C	S	.	.			trans	-114	-177.2	173.7	71.2	37.1	0	0	0	112.4	L30 D31 D33 N66 N67	L30-N64 HydrophobicContact CD1-CB 3.95Å; D31-N64 PolarHBondContact O-ND2 3.43Å; D31-N64 PolarHBondContact O-OD1 3.19Å; D33-N64 HydrophobicContact CB-CB 4.35Å; D33-N64 WeakPolarHBondContact CB-ND2 3.42Å; N64-N66 VanDerWaalsContact C-N 3.31Å; N64-N66 PolarHBondContact O-N 2.89Å; N64-N66 WeakPolarHBondContact OD1-CB 3.01Å; N64-N66 PolarHBondContact OD1-N 3.37Å; N64-N67 WeakPolarHBondContact O-CB 3.48Å
65	G	95.9	Very high	97.1	Very high	27 Å²	27	51.7 Å²	51.7	28%	0.278	28%	0.279	S	S	.	.	S	Bend	trans	-74	-12.3	-175.6	0	0	0	0	0	115.6	N67	G65-N67 PolarHBondContact O-N 3.46Å
66	N	96.9	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.			trans	-78.1	58.3	173.5	-157	0.7	0	0	0	110.7	D27 L30 Y45 Y46 N64 F68	D27-N66 VanDerWaalsContact O-CB 3.23Å; D27-N66 WeakPolarHBondContact O-CB 2.97Å; L30-N66 HydrophobicContact CB-CB 4.34Å; L30-N66 PolarHBondContact O-ND2 2.96Å; Y45-N66 VanDerWaalsContact CB-O 3.28Å; Y45-N66 WeakPolarHBondContact CB-O 3.32Å; Y46-N66 PolarHBondContact N-OD1 3.44Å; Y46-N66 PolarHBondContact O-ND2 3.35Å; N64-N66 VanDerWaalsContact C-N 3.31Å; N64-N66 PolarHBondContact O-N 2.89Å; N64-N66 WeakPolarHBondContact OD1-CB 3.01Å; N64-N66 PolarHBondContact OD1-N 3.37Å; N66-F68 WeakPolarHBondContact OD1-CE2 3.38Å
67	N	97.9	Very high	96.7	Very high	27 Å²	27	58.8 Å²	58.8	14%	0.144	30%	0.302	C	S	.	.			trans	-150.7	104.6	-168.9	-174.2	-28.6	0	0	0	109.4	R43 F56 Y58 N64 G65	R43-N67 WeakPolarHBondContact CB-OD1 3.11Å; R43-N67 VanDerWaalsContact CD-OD1 3.24Å; R43-N67 WeakPolarHBondContact CD-OD1 3.47Å; R43-N67 WeakPolarHBondContact CG-OD1 3.02Å; R43-N67 PolarHBondContact NH1-OD1 3.27Å; F56-N67 HydrophobicContact CE1-CB 4.42Å; F56-N67 HydrophobicContact CZ-CB 3.94Å; Y58-N67 WeakPolarHBondContact CD2-ND2 3.4Å; Y58-N67 VanDerWaalsContact CG-ND2 3.33Å; N64-N67 WeakPolarHBondContact O-CB 3.48Å; G65-N67 PolarHBondContact O-N 3.46Å
68	F	98	Very high	96.5	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-120.4	149.7	-173.8	-50.8	-69.1	0	0	0	110.8	R43 F44 N66 E73 C74 K77	R43-F68 WeakPolarHBondContact CA-O 3.04Å; F44-F68 HydrophobicContact CB-CB 4.32Å; F44-F68 PolarHBondContact N-O 3.01Å; F44-F68 WeakPolarHBondContact O-CD2 3.2Å; F44-F68 PolarHBondContact O-N 3.03Å; N66-F68 WeakPolarHBondContact OD1-CE2 3.38Å; F68-E73 HydrophobicContact CB-CB 4.29Å; F68-E73 HydrophobicContact CB-CG 4.44Å; F68-E73 HydrophobicContact CD1-CG 4.24Å; F68-C74 HydrophobicContact CB-CB 3.92Å; F68-C74 HydrophobicContact CD2-CB 3.33Å; F68-C74 HydrophobicContact CE2-CB 4.05Å; F68-C74 HydrophobicContact CG-CB 3.76Å; F68-K77 HydrophobicContact CD1-CD 3.72Å; F68-K77 HydrophobicContact CE1-CB 4.17Å; F68-K77 HydrophobicContact CE1-CD 3.3Å; F68-K77 HydrophobicContact CE1-CG 4.36Å; F68-K77 HydrophobicContact CZ-CB 4.35Å; F68-K77 HydrophobicContact CZ-CD 4.24Å
69	L	97.8	Very high	95.9	Very high	126 Å²	126	53 Å²	53	66%	0.66	29%	0.291	S	S	*	.	S	Bend	trans	-78	-28.7	-178.7	-72.4	170.5	0	0	0	112.3	E73	L69-E73 PolarHBondContact N-OE2 2.89Å; L69-E73 VanDerWaalsContact N-OE2 3.08Å
70	S	98	Very high	94.9	Very high	38 Å²	38	55.4 Å²	55.4	27%	0.266	32%	0.316	S	S	.	.	S	Bend	trans	-135.5	159.5	-179.3	95.5	0	0	0	0	111.7	E72 E73 C74	S70-E72 VanDerWaalsContact C-N 3.29Å; S70-E72 WeakPolarHBondContact CB-OE2 2.91Å; S70-E72 PolarHBondContact O-N 2.86Å; S70-E72 PolarHBondContact OG-N 3.12Å; S70-E72 PolarHBondContact OG-OE2 3.44Å; S70-E73 PolarHBondContact O-N 3.22Å; S70-E73 PolarHBondContact OG-N 2.03Å; S70-E73 VanDerWaalsContact OG-N 3.13Å; S70-C74 PolarHBondContact O-N 3.46Å
71	K	97.7	Very high	93.2	Very high	90 Å²	90	56.9 Å²	56.9	39%	0.391	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-40.6	176.9	-163.4	-170.4	-176	-133.8	0	110.8	F44 C53 E73 C74 E75	F44-K71 HydrophobicContact CD1-CB 3.85Å; F44-K71 HydrophobicContact CD1-CG 4.08Å; F44-K71 HydrophobicContact CE1-CB 3.65Å; F44-K71 HydrophobicContact CE1-CG 4.07Å; F44-K71 HydrophobicContact CG-CB 4.4Å; F44-K71 HydrophobicContact CZ-CB 4.06Å; C53-K71 HydrophobicContact CB-CG 3.94Å; K71-E73 VanDerWaalsContact C-N 3.33Å; K71-E73 PolarHBondContact O-N 2.79Å; K71-C74 WeakPolarHBondContact O-CB 3.28Å; K71-C74 PolarHBondContact O-N 3.26Å; K71-E75 WeakPolarHBondContact CE-OE1 3.33Å; K71-E75 HydrophobicContact CG-CG 4.43Å; K71-E75 IonicContact NZ-OE1 2.69Å; K71-E75 PolarHBondContact NZ-OE1 3.12Å; K71-E75 WeakPolarHBondContact O-CG 3.38Å; K71-E75 PolarHBondContact O-N 2.73Å
72	E	97.1	Very high	91.2	Very high	123 Å²	123	57.1 Å²	57.1	58%	0.575	31%	0.312	S	S	*	.	H	α-helix	trans	-64.9	-37.3	-179.5	-54	71.8	-156.3	0	0	111.2	S70 R76	S70-E72 VanDerWaalsContact C-N 3.29Å; S70-E72 WeakPolarHBondContact CB-OE2 2.91Å; S70-E72 PolarHBondContact O-N 2.86Å; S70-E72 PolarHBondContact OG-N 3.12Å; S70-E72 PolarHBondContact OG-OE2 3.44Å; E72-R76 WeakPolarHBondContact O-CB 3.35Å; E72-R76 PolarHBondContact O-N 3.12Å
73	E	96.1	Very high	89	Confident	46 Å²	46	58.8 Å²	58.8	22%	0.215	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-45.9	174.5	-169.5	-165.2	173.6	0	0	111.2	F68 L69 S70 K71 K77	F68-E73 HydrophobicContact CB-CB 4.29Å; F68-E73 HydrophobicContact CB-CG 4.44Å; F68-E73 HydrophobicContact CD1-CG 4.24Å; L69-E73 PolarHBondContact N-OE2 2.89Å; L69-E73 VanDerWaalsContact N-OE2 3.08Å; S70-E73 PolarHBondContact O-N 3.22Å; S70-E73 PolarHBondContact OG-N 2.03Å; S70-E73 VanDerWaalsContact OG-N 3.13Å; K71-E73 VanDerWaalsContact C-N 3.33Å; K71-E73 PolarHBondContact O-N 2.79Å; E73-K77 HydrophobicContact CG-CD 4.23Å; E73-K77 WeakPolarHBondContact O-CB 3.46Å; E73-K77 WeakPolarHBondContact O-CG 3.47Å; E73-K77 PolarHBondContact O-N 3Å; E73-K77 WeakPolarHBondContact OE1-CE 3.33Å; E73-K77 IonicContact OE1-NZ 2.71Å; E73-K77 PolarHBondContact OE1-NZ 3.05Å
74	C	96.5	Very high	87	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-52.3	176	175	0	0	0	0	111.2	F44 C53 F68 S70 K71 R76 K77 C78	F44-C74 HydrophobicContact CB-CB 4.13Å; C53-C74 HydrophobicContact CB-CB 3.73Å; C53-C74 WeakPolarHBondContact CB-SG 3.43Å; C53-C74 WeakPolarHBondContact SG-CB 3.04Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 2.79Å; F68-C74 HydrophobicContact CB-CB 3.92Å; F68-C74 HydrophobicContact CD2-CB 3.33Å; F68-C74 HydrophobicContact CE2-CB 4.05Å; F68-C74 HydrophobicContact CG-CB 3.76Å; S70-C74 PolarHBondContact O-N 3.46Å; K71-C74 WeakPolarHBondContact O-CB 3.28Å; K71-C74 PolarHBondContact O-N 3.26Å; C74-R76 VanDerWaalsContact C-N 3.34Å; C74-R76 PolarHBondContact O-N 2.94Å; C74-K77 PolarHBondContact O-N 3.43Å; C74-K77 VanDerWaalsContact O-N 3.15Å; C74-C78 WeakPolarHBondContact O-CB 3.11Å; C74-C78 PolarHBondContact O-N 3.03Å
75	E	94.7	Very high	84.9	Confident	83 Å²	83	66.8 Å²	66.8	39%	0.388	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-41.2	-178.8	-72.1	173.5	172.9	0	0	111.1	C53 K71 K77 G79	C53-E75 HydrophobicContact CB-CG 4.06Å; C53-E75 PolarHBondContact SG-N 2.88Å; K71-E75 WeakPolarHBondContact CE-OE1 3.33Å; K71-E75 HydrophobicContact CG-CG 4.43Å; K71-E75 IonicContact NZ-OE1 2.69Å; K71-E75 PolarHBondContact NZ-OE1 3.12Å; K71-E75 WeakPolarHBondContact O-CG 3.38Å; K71-E75 PolarHBondContact O-N 2.73Å; E75-K77 VanDerWaalsContact C-N 3.35Å; E75-K77 PolarHBondContact O-N 3.07Å; E75-G79 VanDerWaalsContact O-CA 3.23Å; E75-G79 WeakPolarHBondContact O-CA 3.13Å; E75-G79 PolarHBondContact O-N 3.07Å
76	R	93.1	Very high	82.8	Confident	175 Å²	175	72 Å²	72	66%	0.66	37%	0.366	S	S	*	.	H	α-helix	trans	-64.4	-37.7	176.1	-177.4	-175.8	58	72	-0.5	112.6	E72 C74	E72-R76 WeakPolarHBondContact O-CB 3.35Å; E72-R76 PolarHBondContact O-N 3.12Å; C74-R76 VanDerWaalsContact C-N 3.34Å; C74-R76 PolarHBondContact O-N 2.94Å
77	K	92.7	Very high	80.5	Confident	69 Å²	69	78.4 Å²	78.4	30%	0.3	39%	0.394	S	S	.	.	H	α-helix	trans	-80.7	-38.4	-178.6	-78.6	-179.6	170.6	172.9	0	112.4	F68 E73 C74 E75 Q81	F68-K77 HydrophobicContact CD1-CD 3.72Å; F68-K77 HydrophobicContact CE1-CB 4.17Å; F68-K77 HydrophobicContact CE1-CD 3.3Å; F68-K77 HydrophobicContact CE1-CG 4.36Å; F68-K77 HydrophobicContact CZ-CB 4.35Å; F68-K77 HydrophobicContact CZ-CD 4.24Å; E73-K77 HydrophobicContact CG-CD 4.23Å; E73-K77 WeakPolarHBondContact O-CB 3.46Å; E73-K77 WeakPolarHBondContact O-CG 3.47Å; E73-K77 PolarHBondContact O-N 3Å; E73-K77 WeakPolarHBondContact OE1-CE 3.33Å; E73-K77 IonicContact OE1-NZ 2.71Å; E73-K77 PolarHBondContact OE1-NZ 3.05Å; C74-K77 PolarHBondContact O-N 3.43Å; C74-K77 VanDerWaalsContact O-N 3.15Å; E75-K77 VanDerWaalsContact C-N 3.35Å; E75-K77 PolarHBondContact O-N 3.07Å; K77-Q81 PolarHBondContact O-NE2 2.74Å
78	C	93.5	Very high	78.3	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-115.2	-28.2	-168.4	-60.4	0	0	0	0	114.5	C28 Y46 C74 G80 Q81	C28-C78 HydrophobicContact CB-CB 3.63Å; C28-C78 WeakPolarHBondContact CB-SG 3.28Å; C28-C78 WeakPolarHBondContact SG-CA 3.46Å; C28-C78 WeakPolarHBondContact SG-CB 3.23Å; C28-C78 CovalentContact SG-SG 2.03Å; C28-C78 PolarHBondContact SG-SG 2.91Å; Y46-C78 HydrophobicContact CD1-CB 3.59Å; Y46-C78 HydrophobicContact CD2-CB 3.57Å; Y46-C78 HydrophobicContact CE1-CB 4.03Å; Y46-C78 HydrophobicContact CE2-CB 4.06Å; Y46-C78 HydrophobicContact CG-CB 3.31Å; C74-C78 WeakPolarHBondContact O-CB 3.11Å; C74-C78 PolarHBondContact O-N 3.03Å; C78-G80 PolarHBondContact O-N 2.98Å; C78-G80 VanDerWaalsContact O-N 3.12Å; C78-Q81 PolarHBondContact O-N 3.11Å; C78-Q81 VanDerWaalsContact O-N 3.12Å
79	G	86.6	Confident	76.4	Confident	41 Å²	41	90.5 Å²	90.5	42%	0.423	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.9	-173.8	0	0	0	0	0	115.2	E75	E75-G79 VanDerWaalsContact O-CA 3.23Å; E75-G79 WeakPolarHBondContact O-CA 3.13Å; E75-G79 PolarHBondContact O-N 3.07Å
80	G	76.6	Confident	74.4	Confident	55 Å²	55	90.4 Å²	90.4	57%	0.567	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-4.1	176.4	0	0	0	0	0	115.2	C78	C78-G80 PolarHBondContact O-N 2.98Å; C78-G80 VanDerWaalsContact O-N 3.12Å
81	Q	61.8	Low	72	Confident	67 Å²	67	93.5 Å²	93.5	31%	0.313	47%	0.472	S	S	.	.			trans	-101.3	-10.4	-158.8	-62.8	-163.5	-9.3	0	0	116.2	N25 K77 C78 Y83	N25-Q81 VanDerWaalsContact CB-OE1 3.24Å; K77-Q81 PolarHBondContact O-NE2 2.74Å; C78-Q81 PolarHBondContact O-N 3.11Å; C78-Q81 VanDerWaalsContact O-N 3.12Å; Q81-Y83 PolarHBondContact O-N 3.15Å
82	I	56.7	Low	70	Confident	37 Å²	37	95.6 Å²	95.6	19%	0.19	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-76	-8.9	180	-50.1	-167	0	0	0	112.5	Y46 Q51 M84	Y46-I82 HydrophobicContact CE1-CD1 3.72Å; Y46-I82 HydrophobicContact CE1-CG1 4.07Å; Y46-I82 WeakPolarHBondContact OH-CD1 3.18Å; Y46-I82 WeakPolarHBondContact OH-CG1 3.46Å; Q51-I82 HydrophobicContact CB-CD1 4.3Å; Q51-I82 HydrophobicContact CG-CD1 3.73Å; I82-M84 PolarHBondContact O-N 3.39Å
83	Y	50	Low	68.1	Low	155 Å²	155	97.3 Å²	97.3	61%	0.608	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-75.4	10.5	-178.2	-65.6	-70.7	0	0	0	116.3	Q81 K87	Q81-Y83 PolarHBondContact O-N 3.15Å; Y83-K87 WeakPolarHBondContact O-CB 3.17Å
84	M	54.1	Low	65.6	Low	120 Å²	120	102.5 Å²	102.5	59%	0.591	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-122.8	7.7	-174.1	-58.7	-57	-115.1	0	0	116.6	Y21 I82	Y21-M84 WeakPolarHBondContact OH-CE 3.24Å; I82-M84 PolarHBondContact O-N 3.39Å
85	T	51.3	Low	63.4	Low	122 Å²	122	110.1 Å²	110.1	75%	0.748	56%	0.56	S	S	*	*	S	Bend	trans	-111.6	-11.6	170.9	15.8	0	0	0	0	114.9
86	E	52.6	Low	61.1	Low	137 Å²	137	114.2 Å²	114.2	64%	0.64	58%	0.58	S	S	*	*	S	Bend	trans	-116.6	-21.9	175.7	-66.4	176.9	163.3	0	0	112.4	S88 F89 E90	E86-S88 PolarHBondContact O-N 2.81Å; E86-F89 PolarHBondContact O-N 3.01Å; E86-E90 PolarHBondContact O-N 3.38Å; E86-E90 VanDerWaalsContact O-N 3.1Å
87	K	48.9	Very low	58.8	Low	133 Å²	133	111.6 Å²	111.6	58%	0.578	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-12.9	-178.7	-160.9	169.7	-175.1	176.4	0	114.3	Y83 F89 T91	Y83-K87 WeakPolarHBondContact O-CB 3.17Å; K87-F89 VanDerWaalsContact C-N 3.32Å; K87-T91 PolarHBondContact O-OG1 2.67Å; K87-T91 VanDerWaalsContact O-OG1 3.1Å
88	S	51.8	Low	56.3	Low	107 Å²	107	114 Å²	114	75%	0.748	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-0.6	168.8	55.7	0	0	0	0	113.9	E86	E86-S88 PolarHBondContact O-N 2.81Å
89	F	57.1	Low	54.3	Low	176 Å²	176	118.8 Å²	118.8	77%	0.772	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	-22.9	172.7	-160	-105.8	0	0	0	113.7	E86 K87	E86-F89 PolarHBondContact O-N 3.01Å; K87-F89 VanDerWaalsContact C-N 3.32Å
90	E	54.9	Low	52.6	Low	124 Å²	124	122.6 Å²	122.6	58%	0.579	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-89	-0.9	-177.3	-144.8	75	-147.5	0	0	115.1	E86 T92	E86-E90 PolarHBondContact O-N 3.38Å; E86-E90 VanDerWaalsContact O-N 3.1Å; E90-T92 PolarHBondContact O-N 3.13Å
91	T	49.5	Very low	51.2	Low	103 Å²	103	125.1 Å²	125.1	63%	0.632	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-75.8	-5.7	179.4	-59.5	0	0	0	0	112.8	K87	K87-T91 PolarHBondContact O-OG1 2.67Å; K87-T91 VanDerWaalsContact O-OG1 3.1Å
92	T	54.9	Low	50.9	Low	135 Å²	135	129.1 Å²	129.1	83%	0.828	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-101	1.8	-178.9	-30.2	0	0	0	0	113.7	E90	E90-T92 PolarHBondContact O-N 3.13Å
93	K	57.1	Low	50.3	Low	159 Å²	159	134 Å²	134	69%	0.691	71%	0.71	S	S	*	*			trans	-131.9	39.2	-178	-146.2	-176	-178.9	-167.3	0	113.3	M95	K93-M95 PolarHBondContact O-N 3.37Å
94	Q	44.1	Very low	50.2	Low	154 Å²	154	136.7 Å²	136.7	72%	0.72	72%	0.719	S	S	*	*			trans	-50.3	140.3	156.6	-73.1	-173.2	-20.1	0	0	108.5
95	M	48.8	Very low	50	Low	160 Å²	160	136 Å²	136	79%	0.788	73%	0.726	S	S	*	*			trans	85.4	84	168.4	-48	163.5	-165.9	0	0	114.2	K93	K93-M95 PolarHBondContact O-N 3.37Å
96	E	46.5	Very low	50.2	Low	170 Å²	170	136.3 Å²	136.3	79%	0.794	72%	0.723	S	S	*	*			trans	-173.2	96.2	133.8	-100.8	161.2	-168.1	0	0	108.7
97	T	45.2	Very low	50.3	Low	119 Å²	119	136.7 Å²	136.7	73%	0.73	73%	0.73	S	S	*	*				85.1	88.1	106.4	-48.5	0	0	0	0	111.4
98	T	39.5	Very low	50	Low	120 Å²	120	135.5 Å²	135.5	74%	0.736	73%	0.733	S	S	*	*				75.1	117.5	91.2	-58.2	0	0	0	0	112.7
99	S	53.2	Low	49.7	Very low	101 Å²	101	139.6 Å²	139.6	71%	0.706	74%	0.741	S	S	*	*			trans	61.6	126.4	156.1	50.1	0	0	0	0	116.5
100	T	49.6	Very low	49.1	Very low	121 Å²	121	136 Å²	136	74%	0.742	73%	0.733	S	S	*	*				-170.5	140	71.1	-54.6	0	0	0	0	109.4
101	S	48.8	Very low	48.4	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	74%	0.743	S	S	*	*			trans	-46.7	130.5	169.9	47.9	0	0	0	0	115
102	I	54.5	Low	48.6	Very low	151 Å²	151	137.9 Å²	137.9	77%	0.774	75%	0.747	S	S	*	*			trans	-130.6	109.3	151.8	-60.7	-179.7	0	0	0	107.8
103	D	44	Very low	48.2	Very low	141 Å²	141	136.6 Å²	136.6	75%	0.754	74%	0.739	S	S	*	*			trans	-74.7	129.4	165.5	-173.8	3.4	0	0	0	108.8
104	R	48.8	Very low	47.7	Very low	210 Å²	210	134.7 Å²	134.7	79%	0.792	74%	0.741	S	S	*	*			trans	-157	93.6	159	-129.3	-177.5	-143.5	102.5	2	109.6	D106	R104-D106 PolarHBondContact O-N 3.37Å
105	S	50.1	Low	48.5	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	74%	0.743	S	S	*	*			trans	-55.7	116.4	142.4	-68.7	0	0	0	0	108.7
106	D	54.6	Low	49.7	Very low	129 Å²	129	132.4 Å²	132.4	69%	0.69	73%	0.727	S	S	*	*			trans	-144.1	119.8	141.2	-148.5	-11.8	0	0	0	108.8	R104	R104-D106 PolarHBondContact O-N 3.37Å
107	N	54.2	Low	50.9	Low	146 Å²	146	126.8 Å²	126.8	78%	0.781	71%	0.705	S	S	*	*			trans	-101	78.7	-171.5	40	-35.6	0	0	0	106.8
108	T	43.9	Very low	52.4	Low	107 Å²	107	124.6 Å²	124.6	66%	0.656	69%	0.688	S	S	*	*			trans	-101.3	101.2	162.6	39	0	0	0	0	109.1	T110	T108-T110 PolarHBondContact O-N 3.48Å; T108-T110 PolarHBondContact O-OG1 3.02Å
109	E	45.1	Very low	54.3	Low	194 Å²	194	121.1 Å²	121.1	91%	0.907	67%	0.669	S	S	*	*			trans	-52.4	86.4	160.7	-170.6	169.1	-163.6	0	0	108.3	T111	E109-T111 PolarHBondContact O-N 3.23Å
110	T	44.1	Very low	55.6	Low	100 Å²	100	119.6 Å²	119.6	61%	0.613	66%	0.655	S	S	*	*			trans	-77.4	121.9	170.7	-54.5	0	0	0	0	105	T108 I112	T108-T110 PolarHBondContact O-N 3.48Å; T108-T110 PolarHBondContact O-OG1 3.02Å; T110-I112 WeakPolarHBondContact O-CG1 3.47Å; T110-I112 PolarHBondContact O-N 2.03Å
111	T	39.2	Very low	57.2	Low	129 Å²	129	115.9 Å²	115.9	79%	0.791	64%	0.641	S	S	*	*			trans	-58.6	85.3	167.9	-47.6	0	0	0	0	108	E109 T113	E109-T111 PolarHBondContact O-N 3.23Å; T111-T113 VanDerWaalsContact C-N 3.34Å; T111-T113 PolarHBondContact O-N 3.32Å
112	I	53.8	Low	59	Low	137 Å²	137	112.2 Å²	112.2	70%	0.703	62%	0.617	S	S	*	*			trans	-71.3	97.1	177.5	-62.8	167.7	0	0	0	105.4	T110 T114	T110-I112 WeakPolarHBondContact O-CG1 3.47Å; T110-I112 PolarHBondContact O-N 2.03Å; I112-T114 PolarHBondContact O-N 2.93Å
113	T	46.4	Very low	60.7	Low	109 Å²	109	109.4 Å²	109.4	67%	0.669	60%	0.599	S	S	*	*			trans	-53.5	113.5	159.1	47.2	0	0	0	0	107	T111 Q115	T111-T113 VanDerWaalsContact C-N 3.34Å; T111-T113 PolarHBondContact O-N 3.32Å; T113-Q115 PolarHBondContact O-N 2.87Å
114	T	48.2	Very low	62.9	Low	118 Å²	118	107.4 Å²	107.4	72%	0.724	59%	0.587	S	S	*	*			trans	-67.1	68.9	-177.4	-13.9	0	0	0	0	110.3	I112 K116	I112-T114 PolarHBondContact O-N 2.93Å; T114-K116 PolarHBondContact O-N 3.04Å
115	Q	60.9	Low	65	Low	166 Å²	166	101.8 Å²	101.8	78%	0.776	58%	0.576	S	S	*	*			trans	-75.5	114.6	164.5	-69.6	-170.5	-13.4	0	0	106.4	T113 P117	T113-Q115 PolarHBondContact O-N 2.87Å; Q115-P117 WeakPolarHBondContact O-CD 3.43Å
116	K	73.5	Confident	67.1	Low	101 Å²	101	101.8 Å²	101.8	44%	0.439	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-49.4	117.6	174.7	179.3	174.6	175.9	172.7	0	108.4	Y32 T114 L118	Y32-K116 HydrophobicContact CE1-CG 4.39Å; Y32-K116 HydrophobicContact CE2-CG 4.32Å; Y32-K116 WeakPolarHBondContact O-CE 3.47Å; Y32-K116 PolarHBondContact O-NZ 2.85Å; Y32-K116 WeakPolarHBondContact OH-CA 3.05Å; T114-K116 PolarHBondContact O-N 3.04Å; K116-L118 PolarHBondContact O-N 2.79Å
117	P	71.5	Confident	69	Low	52 Å²	52	97.1 Å²	97.1	34%	0.338	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-59.8	141.9	179.3	24.8	-32	0	0	0	108.5	Y32 Q115 S119	Y32-P117 HydrophobicContact CE1-CG 4.44Å; Q115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-S119 PolarHBondContact O-N 3.42Å
118	L	77.4	Confident	71	Confident	73 Å²	73	95.2 Å²	95.2	38%	0.382	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-64.2	135.1	-179.8	-170.1	67.9	0	0	0	110	K116 A122 K123 L126	K116-L118 PolarHBondContact O-N 2.79Å; L118-A122 HydrophobicContact CD1-CB 3.42Å; L118-A122 VanDerWaalsContact CD1-CB 3.42Å; L118-A122 HydrophobicContact CD2-CB 3.86Å; L118-A122 HydrophobicContact CG-CB 3.43Å; L118-A122 VanDerWaalsContact CG-CB 3.43Å; L118-K123 HydrophobicContact CB-CG 3.96Å; L118-K123 HydrophobicContact CD2-CG 4.03Å; L118-K123 HydrophobicContact CG-CG 4.17Å; L118-K123 WeakPolarHBondContact O-CD 3.36Å; L118-K123 WeakPolarHBondContact O-CE 3.3Å; L118-K123 PolarHBondContact O-NZ 3.2Å; L118-L126 HydrophobicContact CD2-CD1 3.23Å; L118-L126 HydrophobicContact CD2-CG 3.9Å
119	S	78.3	Confident	73.5	Confident	47 Å²	47	94.2 Å²	94.2	33%	0.329	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-53.9	147.7	178.8	79.1	0	0	0	0	112.2	D31 P117 G121 A122 K123	D31-S119 VanDerWaalsContact CG-CA 3.5Å; D31-S119 WeakPolarHBondContact OD1-CA 3.39Å; D31-S119 WeakPolarHBondContact OD2-CA 3.48Å; D31-S119 WeakPolarHBondContact OD2-CB 3.44Å; D31-S119 PolarHBondContact OD2-N 3.46Å; P117-S119 PolarHBondContact O-N 3.42Å; S119-G121 PolarHBondContact O-N 3.2Å; S119-G121 VanDerWaalsContact O-N 3.16Å; S119-A122 CarbonylContact O-C 3.56Å; S119-A122 WeakPolarHBondContact O-CA 3.31Å; S119-A122 PolarHBondContact O-N 2.93Å; S119-A122 WeakPolarHBondContact OG-CB 3.3Å; S119-A122 PolarHBondContact OG-N 3.45Å; S119-K123 PolarHBondContact O-N 3.26Å
120	V	81.5	Confident	76	Confident	69 Å²	69	88.6 Å²	88.6	42%	0.418	51%	0.505	S	S	.	.	H	α-helix	trans	-49.3	-44.2	175.1	178.8	0	0	0	0	110.1	A122 K123 I124	V120-A122 PolarHBondContact O-N 2.82Å; V120-K123 PolarHBondContact O-N 2.77Å; V120-I124 HydrophobicContact CG1-CD1 3.87Å; V120-I124 HydrophobicContact CG1-CG1 4.5Å; V120-I124 WeakPolarHBondContact O-CB 3.25Å; V120-I124 WeakPolarHBondContact O-CD1 3.32Å; V120-I124 WeakPolarHBondContact O-CG1 3.24Å; V120-I124 PolarHBondContact O-N 3.12Å
121	G	83.3	Confident	78.5	Confident	43 Å²	43	88.8 Å²	88.8	44%	0.443	50%	0.501	S	S	.	.	H	α-helix	trans	-59.2	-45.3	175.1	0	0	0	0	0	113.1	S119 I124 V125	S119-G121 PolarHBondContact O-N 3.2Å; S119-G121 VanDerWaalsContact O-N 3.16Å; G121-I124 PolarHBondContact O-N 2.98Å; G121-V125 VanDerWaalsContact O-CG2 3.3Å; G121-V125 WeakPolarHBondContact O-CG2 3.38Å; G121-V125 PolarHBondContact O-N 2.75Å
122	A	86.5	Confident	81.3	Confident	29 Å²	29	89.5 Å²	89.5	24%	0.24	49%	0.493	C	S	.	.	H	α-helix	trans	-72.2	-34.2	178.7	0	0	0	0	0	112.8	L118 S119 V120 I124 V125 L126	L118-A122 HydrophobicContact CD1-CB 3.42Å; L118-A122 VanDerWaalsContact CD1-CB 3.42Å; L118-A122 HydrophobicContact CD2-CB 3.86Å; L118-A122 HydrophobicContact CG-CB 3.43Å; L118-A122 VanDerWaalsContact CG-CB 3.43Å; S119-A122 CarbonylContact O-C 3.56Å; S119-A122 WeakPolarHBondContact O-CA 3.31Å; S119-A122 PolarHBondContact O-N 2.93Å; S119-A122 WeakPolarHBondContact OG-CB 3.3Å; S119-A122 PolarHBondContact OG-N 3.45Å; V120-A122 PolarHBondContact O-N 2.82Å; A122-I124 VanDerWaalsContact C-N 3.34Å; A122-V125 PolarHBondContact O-N 3.08Å; A122-L126 WeakPolarHBondContact O-CG 3.33Å; A122-L126 PolarHBondContact O-N 3.24Å
123	K	88.4	Confident	83.3	Confident	93 Å²	93	86.8 Å²	86.8	40%	0.404	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-43.7	169.7	-72.9	173	174.3	162.2	0	111.2	L118 S119 V120 L126 G127	L118-K123 HydrophobicContact CB-CG 3.96Å; L118-K123 HydrophobicContact CD2-CG 4.03Å; L118-K123 HydrophobicContact CG-CG 4.17Å; L118-K123 WeakPolarHBondContact O-CD 3.36Å; L118-K123 WeakPolarHBondContact O-CE 3.3Å; L118-K123 PolarHBondContact O-NZ 3.2Å; S119-K123 PolarHBondContact O-N 3.26Å; V120-K123 PolarHBondContact O-N 2.77Å; K123-L126 PolarHBondContact O-N 2.7Å; K123-G127 PolarHBondContact O-N 3.42Å
124	I	90.1	Very high	85.8	Confident	99 Å²	99	87.2 Å²	87.2	51%	0.508	47%	0.473	S	S	.	.	H	α-helix	trans	-61	-46.8	175	-70.4	164.9	0	0	0	110.4	V120 G121 A122 L126 G127 I128	V120-I124 HydrophobicContact CG1-CD1 3.87Å; V120-I124 HydrophobicContact CG1-CG1 4.5Å; V120-I124 WeakPolarHBondContact O-CB 3.25Å; V120-I124 WeakPolarHBondContact O-CD1 3.32Å; V120-I124 WeakPolarHBondContact O-CG1 3.24Å; V120-I124 PolarHBondContact O-N 3.12Å; G121-I124 PolarHBondContact O-N 2.98Å; A122-I124 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 2.81Å; I124-G127 PolarHBondContact O-N 3.13Å; I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.39Å; I124-I128 WeakPolarHBondContact O-CG1 3.22Å; I124-I128 PolarHBondContact O-N 3.37Å
125	V	94.3	Very high	88.1	Confident	92 Å²	92	84.7 Å²	84.7	56%	0.558	46%	0.457	S	S	*	.	H	α-helix	trans	-61.2	-44	178.4	170.8	0	0	0	0	111.5	G121 A122 G127 I128 L129	G121-V125 VanDerWaalsContact O-CG2 3.3Å; G121-V125 WeakPolarHBondContact O-CG2 3.38Å; G121-V125 PolarHBondContact O-N 2.75Å; A122-V125 PolarHBondContact O-N 3.08Å; V125-G127 VanDerWaalsContact C-N 3.34Å; V125-G127 PolarHBondContact O-N 3.28Å; V125-I128 PolarHBondContact O-N 3.08Å; V125-L129 WeakPolarHBondContact O-CB 3.37Å; V125-L129 PolarHBondContact O-N 2.69Å
126	L	93.3	Very high	89.7	Confident	104 Å²	104	79.4 Å²	79.4	55%	0.545	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-41.4	175.1	-70.5	-172.2	0	0	0	111.8	L118 A122 K123 I124 L129 D130	L118-L126 HydrophobicContact CD2-CD1 3.23Å; L118-L126 HydrophobicContact CD2-CG 3.9Å; A122-L126 WeakPolarHBondContact O-CG 3.33Å; A122-L126 PolarHBondContact O-N 3.24Å; K123-L126 PolarHBondContact O-N 2.7Å; I124-L126 PolarHBondContact O-N 2.81Å; L126-L129 PolarHBondContact O-N 3.37Å; L126-D130 WeakPolarHBondContact O-CB 3.11Å; L126-D130 PolarHBondContact O-N 2.91Å
127	G	94.8	Very high	90.7	Very high	31 Å²	31	79.2 Å²	79.2	32%	0.32	44%	0.442	S	S	.	.	H	α-helix	trans	-61.6	-44.2	175.2	0	0	0	0	0	112.7	K123 I124 V125 L129 D130 I131	K123-G127 PolarHBondContact O-N 3.42Å; I124-G127 PolarHBondContact O-N 3.13Å; V125-G127 VanDerWaalsContact C-N 3.34Å; V125-G127 PolarHBondContact O-N 3.28Å; G127-L129 VanDerWaalsContact C-N 3.33Å; G127-L129 PolarHBondContact O-N 3.16Å; G127-D130 PolarHBondContact O-N 3.38Å; G127-I131 VanDerWaalsContact O-CG1 3.31Å; G127-I131 WeakPolarHBondContact O-CG1 2.92Å; G127-I131 PolarHBondContact O-N 3.48Å
128	I	97.1	Very high	91.9	Very high	107 Å²	107	81.7 Å²	81.7	55%	0.549	45%	0.452	S	S	.	.	H	α-helix	trans	-63.1	-41.5	175.6	-67.6	166.9	0	0	0	110.7	I124 V125 I131 K132	I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.39Å; I124-I128 WeakPolarHBondContact O-CG1 3.22Å; I124-I128 PolarHBondContact O-N 3.37Å; V125-I128 PolarHBondContact O-N 3.08Å; I128-I131 PolarHBondContact O-N 3.23Å; I128-K132 WeakPolarHBondContact O-CB 3.23Å; I128-K132 PolarHBondContact O-N 3.44Å
129	L	96.8	Very high	92.7	Very high	86 Å²	86	84.1 Å²	84.1	45%	0.45	46%	0.46	S	S	.	.	H	α-helix	trans	-64.6	-41.4	177.9	-173.8	62.7	0	0	0	111.6	V125 L126 G127 K132 N133	V125-L129 WeakPolarHBondContact O-CB 3.37Å; V125-L129 PolarHBondContact O-N 2.69Å; L126-L129 PolarHBondContact O-N 3.37Å; G127-L129 VanDerWaalsContact C-N 3.33Å; G127-L129 PolarHBondContact O-N 3.16Å; L129-K132 PolarHBondContact O-N 3.36Å; L129-N133 WeakPolarHBondContact O-CB 3.03Å; L129-N133 VanDerWaalsContact O-CG 3.28Å; L129-N133 PolarHBondContact O-N 2.9Å; L129-N133 PolarHBondContact O-ND2 3.29Å
130	D	96.7	Very high	93.5	Very high	75 Å²	75	86.8 Å²	86.8	40%	0.401	47%	0.465	S	S	.	.	H	α-helix	trans	-61.5	-45.8	174.3	-178.9	46.8	0	0	0	111.5	L126 G127 K132 N133 K134	L126-D130 WeakPolarHBondContact O-CB 3.11Å; L126-D130 PolarHBondContact O-N 2.91Å; G127-D130 PolarHBondContact O-N 3.38Å; D130-K132 PolarHBondContact O-N 3.26Å; D130-N133 PolarHBondContact O-N 2.02Å; D130-K134 WeakPolarHBondContact O-CB 3.44Å; D130-K134 WeakPolarHBondContact O-CG 3.25Å; D130-K134 PolarHBondContact O-N 3.48Å; D130-K134 WeakPolarHBondContact OD1-CE 3.29Å; D130-K134 IonicContact OD1-NZ 3.76Å; D130-K134 VanDerWaalsContact OD2-CE 3.24Å; D130-K134 WeakPolarHBondContact OD2-CE 3.26Å; D130-K134 IonicContact OD2-NZ 2.67Å; D130-K134 PolarHBondContact OD2-NZ 2.97Å
131	I	97.2	Very high	94.1	Very high	104 Å²	104	91.9 Å²	91.9	53%	0.533	48%	0.482	S	S	.	.	H	α-helix	trans	-59.8	-46.9	174.7	-67.3	165	0	0	0	110.7	G127 I128 N133 K134 V135	G127-I131 VanDerWaalsContact O-CG1 3.31Å; G127-I131 WeakPolarHBondContact O-CG1 2.92Å; G127-I131 PolarHBondContact O-N 3.48Å; I128-I131 PolarHBondContact O-N 3.23Å; I131-N133 VanDerWaalsContact C-N 3.3Å; I131-N133 PolarHBondContact O-N 2.87Å; I131-K134 PolarHBondContact O-N 2.87Å; I131-V135 HydrophobicContact CG2-CG2 4.24Å; I131-V135 WeakPolarHBondContact O-CB 3.02Å; I131-V135 VanDerWaalsContact O-CG2 3.28Å; I131-V135 WeakPolarHBondContact O-CG2 3.36Å; I131-V135 PolarHBondContact O-N 3.48Å
132	K	97.3	Very high	94.6	Very high	144 Å²	144	96.3 Å²	96.3	63%	0.626	49%	0.494	S	S	*	.	H	α-helix	trans	-58.7	-42.6	178.1	-176.3	-178.2	176.5	-175.8	0	111.6	I128 L129 D130 V135 S136	I128-K132 WeakPolarHBondContact O-CB 3.23Å; I128-K132 PolarHBondContact O-N 3.44Å; L129-K132 PolarHBondContact O-N 3.36Å; D130-K132 PolarHBondContact O-N 3.26Å; K132-V135 PolarHBondContact O-N 2.98Å; K132-S136 VanDerWaalsContact O-CB 3.31Å; K132-S136 WeakPolarHBondContact O-CB 3.49Å; K132-S136 PolarHBondContact O-N 3.5Å
133	N	96.8	Very high	94.9	Very high	81 Å²	81	101.9 Å²	101.9	43%	0.433	51%	0.513	S	S	.	.	H	α-helix	trans	-67.4	-43.3	177.9	-72.8	-22	0	0	0	111.8	L129 D130 I131 S136 N137	L129-N133 WeakPolarHBondContact O-CB 3.03Å; L129-N133 VanDerWaalsContact O-CG 3.28Å; L129-N133 PolarHBondContact O-N 2.9Å; L129-N133 PolarHBondContact O-ND2 3.29Å; D130-N133 PolarHBondContact O-N 2.02Å; I131-N133 VanDerWaalsContact C-N 3.3Å; I131-N133 PolarHBondContact O-N 2.87Å; N133-S136 PolarHBondContact O-N 2.99Å; N133-N137 WeakPolarHBondContact O-CB 3.19Å; N133-N137 VanDerWaalsContact O-CG 3.28Å; N133-N137 PolarHBondContact O-N 2.99Å; N133-N137 PolarHBondContact O-ND2 3.35Å
134	K	96.9	Very high	94.8	Very high	118 Å²	118	100.4 Å²	100.4	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-59	-46.9	173.9	-76.9	171	176.2	165	0	111.6	D130 I131 N137 L138	D130-K134 WeakPolarHBondContact O-CB 3.44Å; D130-K134 WeakPolarHBondContact O-CG 3.25Å; D130-K134 PolarHBondContact O-N 3.48Å; D130-K134 WeakPolarHBondContact OD1-CE 3.29Å; D130-K134 IonicContact OD1-NZ 3.76Å; D130-K134 VanDerWaalsContact OD2-CE 3.24Å; D130-K134 WeakPolarHBondContact OD2-CE 3.26Å; D130-K134 IonicContact OD2-NZ 2.67Å; D130-K134 PolarHBondContact OD2-NZ 2.97Å; I131-K134 PolarHBondContact O-N 2.87Å; K134-N137 PolarHBondContact O-N 2.82Å; K134-L138 VanDerWaalsContact O-CG 3.3Å; K134-L138 WeakPolarHBondContact O-CG 3.36Å; K134-L138 PolarHBondContact O-N 3.09Å
135	V	97	Very high	94	Very high	65 Å²	65	100.9 Å²	100.9	39%	0.394	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-45	177.1	170.8	0	0	0	0	111.2	I131 K132 N137 L138 F139	I131-V135 HydrophobicContact CG2-CG2 4.24Å; I131-V135 WeakPolarHBondContact O-CB 3.02Å; I131-V135 VanDerWaalsContact O-CG2 3.28Å; I131-V135 WeakPolarHBondContact O-CG2 3.36Å; I131-V135 PolarHBondContact O-N 3.48Å; K132-V135 PolarHBondContact O-N 2.98Å; V135-N137 PolarHBondContact O-N 3.32Å; V135-L138 WeakPolarHBondContact O-CB 3.29Å; V135-L138 PolarHBondContact O-N 2.94Å; V135-F139 HydrophobicContact CG1-CD2 3.73Å; V135-F139 HydrophobicContact CG1-CE2 3.43Å; V135-F139 VanDerWaalsContact CG1-CE2 3.43Å; V135-F139 WeakPolarHBondContact O-CD2 3.47Å; V135-F139 PolarHBondContact O-N 3.25Å
136	S	95.5	Very high	92.7	Very high	54 Å²	54	109.9 Å²	109.9	38%	0.378	56%	0.556	S	S	.	*	H	α-helix	trans	-58.6	-45.6	175.8	-176.8	0	0	0	0	112.2	K132 N133 L138 F139 K140	K132-S136 VanDerWaalsContact O-CB 3.31Å; K132-S136 WeakPolarHBondContact O-CB 3.49Å; K132-S136 PolarHBondContact O-N 3.5Å; N133-S136 PolarHBondContact O-N 2.99Å; S136-L138 PolarHBondContact O-N 3.43Å; S136-F139 PolarHBondContact O-N 2.93Å; S136-K140 PolarHBondContact O-N 3.3Å
137	N	94.8	Very high	92.6	Very high	98 Å²	98	110.2 Å²	110.2	52%	0.524	56%	0.556	S	S	.	*	H	α-helix	trans	-66.4	-36.8	177.6	-71.4	-20	0	0	0	112.3	N133 K134 V135 K140 K141	N133-N137 WeakPolarHBondContact O-CB 3.19Å; N133-N137 VanDerWaalsContact O-CG 3.28Å; N133-N137 PolarHBondContact O-N 2.99Å; N133-N137 PolarHBondContact O-ND2 3.35Å; K134-N137 PolarHBondContact O-N 2.82Å; V135-N137 PolarHBondContact O-N 3.32Å; N137-K140 PolarHBondContact O-N 3.14Å; N137-K141 PolarHBondContact O-N 2.94Å
138	L	95.7	Very high	92.5	Very high	103 Å²	103	114.4 Å²	114.4	54%	0.539	57%	0.569	S	S	.	*	H	α-helix	trans	-61	-43.5	172	-74.9	169.2	0	0	0	111.3	K134 V135 S136 K141 I142	K134-L138 VanDerWaalsContact O-CG 3.3Å; K134-L138 WeakPolarHBondContact O-CG 3.36Å; K134-L138 PolarHBondContact O-N 3.09Å; V135-L138 WeakPolarHBondContact O-CB 3.29Å; V135-L138 PolarHBondContact O-N 2.94Å; S136-L138 PolarHBondContact O-N 3.43Å; L138-K141 PolarHBondContact O-N 3.06Å; L138-I142 VanDerWaalsContact O-CG1 3.29Å; L138-I142 WeakPolarHBondContact O-CG1 3.27Å; L138-I142 PolarHBondContact O-N 3.27Å
139	F	95.2	Very high	92.3	Very high	125 Å²	125	114.8 Å²	114.8	55%	0.548	57%	0.57	S	S	.	*	H	α-helix	trans	-62.7	-42.4	176.1	-80.9	-64.6	0	0	0	113	V135 S136 K141 I142 K143	V135-F139 HydrophobicContact CG1-CD2 3.73Å; V135-F139 HydrophobicContact CG1-CE2 3.43Å; V135-F139 VanDerWaalsContact CG1-CE2 3.43Å; V135-F139 WeakPolarHBondContact O-CD2 3.47Å; V135-F139 PolarHBondContact O-N 3.25Å; S136-F139 PolarHBondContact O-N 2.93Å; F139-K141 VanDerWaalsContact C-N 3.32Å; F139-K141 PolarHBondContact O-N 2.91Å; F139-I142 PolarHBondContact O-N 3.3Å; F139-K143 WeakPolarHBondContact O-CG 3.39Å; F139-K143 PolarHBondContact O-N 3.01Å
140	K	94.4	Very high	92	Very high	102 Å²	102	116.5 Å²	116.5	44%	0.443	58%	0.577	S	S	.	*	H	α-helix	trans	-59.2	-44.1	174.3	-70.4	-178	177	-176.9	0	111.7	S136 N137 I142 K143 G144 E145	S136-K140 PolarHBondContact O-N 3.3Å; N137-K140 PolarHBondContact O-N 3.14Å; K140-I142 PolarHBondContact O-N 3.4Å; K140-K143 PolarHBondContact O-N 3.49Å; K140-G144 PolarHBondContact O-N 3.48Å; K140-E145 HydrophobicContact CB-CB 4.43Å; K140-E145 PolarHBondContact O-N 3.06Å; K140-E145 VanDerWaalsContact O-N 3.11Å
141	K	93	Very high	91.7	Very high	177 Å²	177	119.1 Å²	119.1	77%	0.77	59%	0.588	S	S	*	*	H	α-helix	trans	-62.1	-40.2	176.5	-169.4	176	-178.9	179.4	0	112.3	N137 L138 F139 G144	N137-K141 PolarHBondContact O-N 2.94Å; L138-K141 PolarHBondContact O-N 3.06Å; F139-K141 VanDerWaalsContact C-N 3.32Å; F139-K141 PolarHBondContact O-N 2.91Å; K141-G144 PolarHBondContact O-N 3.23Å
142	I	93.9	Very high	91.3	Very high	135 Å²	135	120.1 Å²	120.1	69%	0.692	59%	0.591	S	S	*	*	H	α-helix	trans	-67.1	-37.2	176.4	-69	164.1	0	0	0	111.4	L138 F139 K140 G144	L138-I142 VanDerWaalsContact O-CG1 3.29Å; L138-I142 WeakPolarHBondContact O-CG1 3.27Å; L138-I142 PolarHBondContact O-N 3.27Å; F139-I142 PolarHBondContact O-N 3.3Å; K140-I142 PolarHBondContact O-N 3.4Å; I142-G144 PolarHBondContact O-N 3.46Å
143	K	94.1	Very high	90.9	Very high	147 Å²	147	118.4 Å²	118.4	64%	0.639	59%	0.589	S	S	*	*	H	α-helix	trans	-75.7	-6.9	177.9	-72.5	-175.6	177	-174.6	0	114.3	F139 K140 E145	F139-K143 WeakPolarHBondContact O-CG 3.39Å; F139-K143 PolarHBondContact O-N 3.01Å; K140-K143 PolarHBondContact O-N 3.49Å; K143-E145 HydrophobicContact CB-CG 3.91Å; K143-E145 WeakPolarHBondContact CD-OE1 3.35Å; K143-E145 PolarHBondContact O-N 3.32Å
144	G	86.9	Confident	90.5	Very high	62 Å²	62	121.2 Å²	121.2	64%	0.639	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.7	20.4	-174.1	0	0	0	0	0	113.3	K140 K141 I142 K146	K140-G144 PolarHBondContact O-N 3.48Å; K141-G144 PolarHBondContact O-N 3.23Å; I142-G144 PolarHBondContact O-N 3.46Å; G144-K146 PolarHBondContact O-N 2.91Å
145	E	73.3	Confident	89.9	Confident	108 Å²	108	121.5 Å²	121.5	51%	0.505	61%	0.608	S	S	.	*			trans	-76.1	108.8	174.3	-69.2	172	178.7	0	0	107.8	K140 K143	K140-E145 HydrophobicContact CB-CB 4.43Å; K140-E145 PolarHBondContact O-N 3.06Å; K140-E145 VanDerWaalsContact O-N 3.11Å; K143-E145 HydrophobicContact CB-CG 3.91Å; K143-E145 WeakPolarHBondContact CD-OE1 3.35Å; K143-E145 PolarHBondContact O-N 3.32Å
146	K	65.4	Low	89.3	Confident	282 Å²	282	126.6 Å²	126.6	100%	1.226	63%	0.628	S	S	*	*			trans	-71.9	0	170.4	-76.8	-172.4	179.4	-179.6	0	111.2	G144	G144-K146 PolarHBondContact O-N 2.91Å

Retrieved 146 of 146 residues in 404.6 ms (Link to these results)

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