A0A096NX59_PAPAN Loading...

Serine peptidase inhibitor, Kunitz type 3

AlphaFold DB (G7N4Q1), UniProt , Accession A0A096NX59, Species PAPAN (Papio anubis, Olive baboon), Gene SPINT3, Length 89 aa.

						>A0A096NX59_PAPAN|A0A096NX59|SPINT3
MQLQASLSFLLILTLCLELRSELSQDTITDLLPNVCSFPMEKGPCQAYMIRWFFNSETGECELFAYGGCRGNSNNFSRKEECEKMCKFT
					

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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	42.9	Very low	63.7	Low	234 Å²	234	130.6 Å²	130.6	100%	1.153	69%	0.687	S	S	*	*				0	82	0	-71	154.4	62.1	0	0	108
2	Q	50.4	Low	65.1	Low	184 Å²	184	128.4 Å²	128.4	86%	0.86	68%	0.675	S	S	*	*			trans	-80.3	120	171.3	-73.1	-173.6	-22.7	0	0	107.2	Q4	Q2-Q4 PolarHBondContact O-N 2.66Å
3	L	53.6	Low	66	Low	173 Å²	173	125.1 Å²	125.1	91%	0.906	66%	0.657	S	S	*	*			trans	-65.8	99.9	166.3	-95.6	78.8	0	0	0	107.1	A5	L3-A5 PolarHBondContact O-N 3.19Å
4	Q	55.1	Low	67.1	Low	183 Å²	183	120.3 Å²	120.3	86%	0.855	64%	0.635	S	S	*	*			trans	-76.1	100.6	164.2	-77.6	-176.8	-67.6	0	0	107.4	Q2 S6	Q2-Q4 PolarHBondContact O-N 2.66Å; Q4-S6 PolarHBondContact O-N 3.37Å
5	A	60.7	Low	67.9	Low	65 Å²	65	118.5 Å²	118.5	54%	0.537	63%	0.626	S	S	.	*			trans	-58.9	123	162.8	0	0	0	0	0	107.6	L3	L3-A5 PolarHBondContact O-N 3.19Å
6	S	74.7	Confident	68.5	Low	60 Å²	60	115.8 Å²	115.8	42%	0.42	62%	0.618	S	S	.	*			trans	-62.9	146.4	-177	61	0	0	0	0	110.4	Q4 S8 F9 L10	Q4-S6 PolarHBondContact O-N 3.37Å; S6-S8 WeakPolarHBondContact CB-OG 3.47Å; S6-S8 PolarHBondContact O-N 2.95Å; S6-S8 VanDerWaalsContact O-N 3.1Å; S6-S8 PolarHBondContact OG-OG 2.98Å; S6-F9 WeakPolarHBondContact O-CA 3.4Å; S6-F9 VanDerWaalsContact O-CB 3.25Å; S6-F9 WeakPolarHBondContact O-CB 3.41Å; S6-F9 PolarHBondContact O-N 3.35Å; S6-L10 PolarHBondContact O-N 2.77Å
7	L	64.4	Low	68.9	Low	144 Å²	144	115.9 Å²	115.9	75%	0.754	62%	0.618	S	S	*	*	H	α-helix	trans	-55.7	-29	176.9	-82.9	106.9	0	0	0	112.6	F9 L10 L11	L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.28Å; L7-L10 PolarHBondContact O-N 3.49Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.04Å
8	S	70.4	Confident	69.3	Low	68 Å²	68	116.2 Å²	116.2	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-61.3	-35.8	171.2	51.6	0	0	0	0	113	S6 L11 I12	S6-S8 WeakPolarHBondContact CB-OG 3.47Å; S6-S8 PolarHBondContact O-N 2.95Å; S6-S8 VanDerWaalsContact O-N 3.1Å; S6-S8 PolarHBondContact OG-OG 2.98Å; S8-L11 PolarHBondContact O-N 3.48Å; S8-I12 WeakPolarHBondContact O-CD1 3.31Å; S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.43Å
9	F	75.3	Confident	68.9	Low	123 Å²	123	115.8 Å²	115.8	54%	0.539	61%	0.613	S	S	.	*	H	α-helix	trans	-70.9	-37.8	178.8	-144	-93	0	0	0	111.7	S6 L7 I12 L13	S6-F9 WeakPolarHBondContact O-CA 3.4Å; S6-F9 VanDerWaalsContact O-CB 3.25Å; S6-F9 WeakPolarHBondContact O-CB 3.41Å; S6-F9 PolarHBondContact O-N 3.35Å; L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.28Å; F9-I12 PolarHBondContact O-N 2.96Å; F9-L13 HydrophobicContact CD1-CD1 3.79Å; F9-L13 HydrophobicContact CD1-CG 4.22Å; F9-L13 HydrophobicContact CE1-CD1 4.17Å; F9-L13 HydrophobicContact CE1-CG 4.46Å; F9-L13 WeakPolarHBondContact O-CB 3.38Å; F9-L13 VanDerWaalsContact O-CG 3.22Å; F9-L13 WeakPolarHBondContact O-CG 3.36Å; F9-L13 PolarHBondContact O-N 3.28Å
10	L	75.7	Confident	68.9	Low	97 Å²	97	120 Å²	120	51%	0.508	62%	0.62	S	S	.	*	H	α-helix	trans	-68.9	-37.4	174.9	-69.8	168.5	0	0	0	112.1	S6 L7 L13 T14	S6-L10 PolarHBondContact O-N 2.77Å; L7-L10 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 2.95Å; L10-T14 WeakPolarHBondContact O-CB 3.29Å; L10-T14 WeakPolarHBondContact O-CG2 3.44Å; L10-T14 PolarHBondContact O-N 3.44Å; L10-T14 PolarHBondContact O-OG1 3.41Å
11	L	77.5	Confident	68.6	Low	106 Å²	106	118.7 Å²	118.7	56%	0.555	62%	0.622	S	S	*	*	H	α-helix	trans	-65.8	-40.7	173.4	-74.9	163.4	0	0	0	112.1	L7 S8 T14 L15	L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.04Å; S8-L11 PolarHBondContact O-N 3.48Å; L11-T14 VanDerWaalsContact CA-OG1 3.29Å; L11-T14 WeakPolarHBondContact CA-OG1 3.49Å; L11-T14 PolarHBondContact O-N 3.44Å; L11-T14 PolarHBondContact O-OG1 3.05Å; L11-L15 WeakPolarHBondContact O-CB 3.29Å; L11-L15 VanDerWaalsContact O-CD1 3.31Å; L11-L15 WeakPolarHBondContact O-CD1 3.34Å; L11-L15 PolarHBondContact O-N 2.96Å
12	I	79.9	Confident	69.7	Low	104 Å²	104	115.4 Å²	115.4	53%	0.533	60%	0.603	S	S	.	*	H	α-helix	trans	-67.2	-41	175.6	-67.2	163.1	0	0	0	110.7	S8 F9 C16	S8-I12 WeakPolarHBondContact O-CD1 3.31Å; S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.43Å; F9-I12 PolarHBondContact O-N 2.96Å; I12-C16 WeakPolarHBondContact O-CB 3.23Å; I12-C16 PolarHBondContact O-N 3.45Å; I12-C16 PolarHBondContact O-SG 3.27Å
13	L	77.5	Confident	70.2	Confident	85 Å²	85	113.3 Å²	113.3	45%	0.445	60%	0.597	S	S	.	*	H	α-helix	trans	-65.9	-37.9	177.4	-74.8	170.1	0	0	0	112.6	F9 L10 C16 L17	F9-L13 HydrophobicContact CD1-CD1 3.79Å; F9-L13 HydrophobicContact CD1-CG 4.22Å; F9-L13 HydrophobicContact CE1-CD1 4.17Å; F9-L13 HydrophobicContact CE1-CG 4.46Å; F9-L13 WeakPolarHBondContact O-CB 3.38Å; F9-L13 VanDerWaalsContact O-CG 3.22Å; F9-L13 WeakPolarHBondContact O-CG 3.36Å; F9-L13 PolarHBondContact O-N 3.28Å; L10-L13 PolarHBondContact O-N 2.95Å; L13-C16 PolarHBondContact O-N 3.16Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CD1 3.4Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.22Å; L13-L17 PolarHBondContact O-N 2.87Å
14	T	81.6	Confident	70.5	Confident	58 Å²	58	108 Å²	108	36%	0.356	58%	0.575	S	S	.	*	H	α-helix	trans	-70.5	-45.9	176.8	43.9	0	0	0	0	111.8	L10 L11 C16 L17 E18	L10-T14 WeakPolarHBondContact O-CB 3.29Å; L10-T14 WeakPolarHBondContact O-CG2 3.44Å; L10-T14 PolarHBondContact O-N 3.44Å; L10-T14 PolarHBondContact O-OG1 3.41Å; L11-T14 VanDerWaalsContact CA-OG1 3.29Å; L11-T14 WeakPolarHBondContact CA-OG1 3.49Å; L11-T14 PolarHBondContact O-N 3.44Å; L11-T14 PolarHBondContact O-OG1 3.05Å; T14-C16 VanDerWaalsContact C-N 3.3Å; T14-C16 PolarHBondContact O-N 2.83Å; T14-L17 WeakPolarHBondContact O-CB 3.35Å; T14-L17 PolarHBondContact O-N 2.94Å; T14-E18 VanDerWaalsContact O-CD 3.24Å; T14-E18 WeakPolarHBondContact O-CG 3.22Å; T14-E18 PolarHBondContact O-N 3.38Å
15	L	79.3	Confident	70.6	Confident	94 Å²	94	107.3 Å²	107.3	49%	0.492	57%	0.571	S	S	.	*	H	α-helix	trans	-57.6	-42.1	169.9	-98.6	103.9	0	0	0	111.9	L11 L17 E18 L19	L11-L15 WeakPolarHBondContact O-CB 3.29Å; L11-L15 VanDerWaalsContact O-CD1 3.31Å; L11-L15 WeakPolarHBondContact O-CD1 3.34Å; L11-L15 PolarHBondContact O-N 2.96Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.24Å; L15-E18 PolarHBondContact O-N 3.37Å; L15-L19 HydrophobicContact CB-CD1 4.36Å; L15-L19 HydrophobicContact CD2-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 VanDerWaalsContact O-CD1 3.29Å; L15-L19 WeakPolarHBondContact O-CD1 3.17Å; L15-L19 PolarHBondContact O-N 3.05Å
16	C	76.4	Confident	70.5	Confident	74 Å²	74	108.6 Å²	108.6	50%	0.5	57%	0.569	S	S	.	*	H	α-helix	trans	-64.3	-31.9	176	-81.3	0	0	0	0	113.1	I12 L13 T14 R20	I12-C16 WeakPolarHBondContact O-CB 3.23Å; I12-C16 PolarHBondContact O-N 3.45Å; I12-C16 PolarHBondContact O-SG 3.27Å; L13-C16 PolarHBondContact O-N 3.16Å; T14-C16 VanDerWaalsContact C-N 3.3Å; T14-C16 PolarHBondContact O-N 2.83Å; C16-R20 VanDerWaalsContact O-CB 3.29Å; C16-R20 WeakPolarHBondContact O-CB 3.25Å; C16-R20 PolarHBondContact O-N 3Å; C16-R20 VanDerWaalsContact O-N 3.16Å
17	L	75.9	Confident	69.9	Low	119 Å²	119	110.4 Å²	110.4	62%	0.623	58%	0.578	S	S	*	*	H	α-helix	trans	-73.4	-36.2	175.1	-76.3	161	0	0	0	111.6	L13 T14 L15	L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CD1 3.4Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.22Å; L13-L17 PolarHBondContact O-N 2.87Å; T14-L17 WeakPolarHBondContact O-CB 3.35Å; T14-L17 PolarHBondContact O-N 2.94Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.24Å
18	E	75.4	Confident	69.9	Low	121 Å²	121	109.6 Å²	109.6	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-73.2	-45.1	177.1	-69.6	147.2	-170.9	0	0	111.5	T14 L15 R20 S21	T14-E18 VanDerWaalsContact O-CD 3.24Å; T14-E18 WeakPolarHBondContact O-CG 3.22Å; T14-E18 PolarHBondContact O-N 3.38Å; L15-E18 PolarHBondContact O-N 3.37Å; E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 PolarHBondContact O-N 3.45Å; E18-S21 WeakPolarHBondContact O-CB 3.44Å; E18-S21 PolarHBondContact O-N 3.18Å; E18-S21 PolarHBondContact O-OG 3.1Å
19	L	62.3	Low	69.5	Low	109 Å²	109	110.5 Å²	110.5	57%	0.571	58%	0.576	S	S	*	*	H	α-helix	trans	-66.4	-26.5	174.9	-90.1	126	0	0	0	113.7	L15 S21 E22	L15-L19 HydrophobicContact CB-CD1 4.36Å; L15-L19 HydrophobicContact CD2-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 VanDerWaalsContact O-CD1 3.29Å; L15-L19 WeakPolarHBondContact O-CD1 3.17Å; L15-L19 PolarHBondContact O-N 3.05Å; L19-S21 PolarHBondContact O-N 2.78Å; L19-E22 PolarHBondContact O-N 3.28Å
20	R	68.9	Low	68.9	Low	198 Å²	198	111.2 Å²	111.2	75%	0.747	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-62.3	-26	174.3	175.5	178.8	-76.8	-94	1.3	112.2	C16 E18 E22	C16-R20 VanDerWaalsContact O-CB 3.29Å; C16-R20 WeakPolarHBondContact O-CB 3.25Å; C16-R20 PolarHBondContact O-N 3Å; C16-R20 VanDerWaalsContact O-N 3.16Å; E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 PolarHBondContact O-N 3.45Å; R20-E22 VanDerWaalsContact C-N 3.28Å; R20-E22 PolarHBondContact O-N 2.8Å
21	S	61.8	Low	68.5	Low	94 Å²	94	113.7 Å²	113.7	66%	0.657	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-73.8	-15	180	72.1	0	0	0	0	114.2	E18 L19	E18-S21 WeakPolarHBondContact O-CB 3.44Å; E18-S21 PolarHBondContact O-N 3.18Å; E18-S21 PolarHBondContact O-OG 3.1Å; L19-S21 PolarHBondContact O-N 2.78Å
22	E	67.6	Low	67.9	Low	164 Å²	164	114.2 Å²	114.2	77%	0.766	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-102.2	-4.3	-177.5	-64.9	-164.6	169.7	0	0	114.8	L19 R20	L19-E22 PolarHBondContact O-N 3.28Å; R20-E22 VanDerWaalsContact C-N 3.28Å; R20-E22 PolarHBondContact O-N 2.8Å
23	L	59.8	Low	67.4	Low	140 Å²	140	113.1 Å²	113.1	73%	0.733	60%	0.601	S	S	*	*			trans	-111.9	57.5	172.8	-154.9	80.8	0	0	0	110.2	Q25	L23-Q25 PolarHBondContact O-N 2.65Å
24	S	60.1	Low	67.9	Low	62 Å²	62	112.8 Å²	112.8	43%	0.434	60%	0.599	S	S	.	*			trans	-65	115.2	153.8	55.1	0	0	0	0	106.9	D26	S24-D26 WeakPolarHBondContact CB-OD2 3.46Å; S24-D26 PolarHBondContact O-N 3.42Å
25	Q	58.2	Low	68.5	Low	168 Å²	168	112 Å²	112	79%	0.785	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	37.4	173.1	-165.4	134.9	-0.6	0	0	111.1	L23	L23-Q25 PolarHBondContact O-N 2.65Å
26	D	57.9	Low	69.2	Low	93 Å²	93	107.9 Å²	107.9	50%	0.497	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.8	-13.8	-166.2	-64.8	-29.3	0	0	0	112.1	S24 I28 T29 D30	S24-D26 WeakPolarHBondContact CB-OD2 3.46Å; S24-D26 PolarHBondContact O-N 3.42Å; D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.4Å; D26-T29 PolarHBondContact O-OG1 3.07Å; D26-T29 VanDerWaalsContact O-OG1 3.05Å; D26-D30 PolarHBondContact O-N 2.79Å
27	T	61.9	Low	70.1	Confident	98 Å²	98	107.8 Å²	107.8	60%	0.601	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-18.7	-175	53.7	0	0	0	0	114.5	L31	T27-L31 WeakPolarHBondContact O-CD1 3.28Å; T27-L31 WeakPolarHBondContact O-CG 3.33Å
28	I	63.9	Low	71	Confident	126 Å²	126	105.2 Å²	105.2	65%	0.646	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-35.1	178.9	-63.3	177.6	0	0	0	111.6	D26 D30 L31	D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.4Å; I28-D30 VanDerWaalsContact C-N 3.35Å; I28-L31 PolarHBondContact O-N 3.39Å
29	T	61.8	Low	72.1	Confident	88 Å²	88	104 Å²	104	54%	0.54	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-69.4	-31.9	179.9	29	0	0	0	0	112.8	D26 L31 L32	D26-T29 PolarHBondContact O-OG1 3.07Å; D26-T29 VanDerWaalsContact O-OG1 3.05Å; T29-L31 VanDerWaalsContact C-N 3.26Å; T29-L31 PolarHBondContact O-N 3.37Å; T29-L32 PolarHBondContact O-N 2.95Å
30	D	64.4	Low	73.8	Confident	137 Å²	137	103 Å²	103	73%	0.733	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-73.3	-16.3	179	-71.9	-11.8	0	0	0	113.7	D26 I28	D26-D30 PolarHBondContact O-N 2.79Å; I28-D30 VanDerWaalsContact C-N 3.35Å
31	L	66.6	Low	75.2	Confident	149 Å²	149	97.5 Å²	97.5	78%	0.78	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-94.3	-14.4	179.7	-63.4	174.1	0	0	0	113.3	T27 I28 T29	T27-L31 WeakPolarHBondContact O-CD1 3.28Å; T27-L31 WeakPolarHBondContact O-CG 3.33Å; I28-L31 PolarHBondContact O-N 3.39Å; T29-L31 VanDerWaalsContact C-N 3.26Å; T29-L31 PolarHBondContact O-N 3.37Å
32	L	64.3	Low	76.9	Confident	118 Å²	118	98.2 Å²	98.2	62%	0.618	53%	0.527	S	S	*	.	S	Bend	trans	-88.1	126.9	177.6	-82.4	156.8	0	0	0	109.5	T29 N34	T29-L32 PolarHBondContact O-N 2.95Å; L32-N34 PolarHBondContact O-N 3.35Å; L32-N34 VanDerWaalsContact O-N 3.14Å
33	P	70.4	Confident	78.4	Confident	81 Å²	81	91.4 Å²	91.4	53%	0.526	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-54.5	124.5	172.5	-22.2	31.3	0	0	0	109.9	V35 F38	P33-V35 PolarHBondContact O-N 3.31Å; P33-F38 HydrophobicContact CB-CE1 3.49Å; P33-F38 VanDerWaalsContact CB-CE1 3.49Å; P33-F38 HydrophobicContact CB-CZ 3.76Å; P33-F38 HydrophobicContact CG-CE1 4.33Å; P33-F38 HydrophobicContact CG-CZ 4.42Å
34	N	86.8	Confident	80.2	Confident	77 Å²	77	89.2 Å²	89.2	41%	0.412	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-60.6	125	176.4	-176	-30.5	0	0	0	108.3	L32 C36 S37	L32-N34 PolarHBondContact O-N 3.35Å; L32-N34 VanDerWaalsContact O-N 3.14Å; N34-C36 PolarHBondContact O-N 3.41Å; N34-C36 WeakPolarHBondContact OD1-CB 3.39Å; N34-C36 PolarHBondContact OD1-N 3.16Å; N34-C36 PolarHBondContact OD1-SG 2.63Å; N34-S37 WeakPolarHBondContact O-CB 3.36Å; N34-S37 PolarHBondContact O-N 3.14Å; N34-S37 PolarHBondContact O-OG 3.37Å
35	V	94.1	Very high	82	Confident	42 Å²	42	88.7 Å²	88.7	26%	0.255	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-47.8	-36.5	178.1	168.5	0	0	0	0	111.5	P33 S37 F38 S73 N74 F76	P33-V35 PolarHBondContact O-N 3.31Å; V35-S37 PolarHBondContact O-N 3.46Å; V35-F38 PolarHBondContact O-N 3.42Å; V35-S73 VanDerWaalsContact CG1-C 3.48Å; V35-S73 VanDerWaalsContact CG1-O 3.26Å; V35-S73 WeakPolarHBondContact CG1-O 3.38Å; V35-N74 HydrophobicContact CG1-CB 4.44Å; V35-N74 WeakPolarHBondContact O-CB 3.18Å; V35-F76 HydrophobicContact CG1-CZ 4.02Å
36	C	95.2	Very high	83.9	Confident	8 Å²	8	89.6 Å²	89.6	5%	0.054	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-72.2	-7.6	-178.4	-48.5	0	0	0	0	113.8	N34 F54 C86	N34-C36 PolarHBondContact O-N 3.41Å; N34-C36 WeakPolarHBondContact OD1-CB 3.39Å; N34-C36 PolarHBondContact OD1-N 3.16Å; N34-C36 PolarHBondContact OD1-SG 2.63Å; C36-F54 HydrophobicContact CB-CB 4.43Å; C36-F54 HydrophobicContact CB-CD1 3.9Å; C36-F54 HydrophobicContact CB-CE1 4.47Å; C36-F54 HydrophobicContact CB-CG 4.31Å; C36-F54 WeakPolarHBondContact O-CD1 3.31Å; C36-C86 HydrophobicContact CB-CB 3.56Å; C36-C86 WeakPolarHBondContact CB-SG 3.03Å; C36-C86 WeakPolarHBondContact SG-CA 2.93Å; C36-C86 WeakPolarHBondContact SG-CB 3.19Å; C36-C86 CovalentContact SG-SG 2.02Å; C36-C86 PolarHBondContact SG-SG 3.16Å
37	S	93.9	Very high	85.9	Confident	71 Å²	71	87.6 Å²	87.6	50%	0.497	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-93.1	-12	173.9	70.2	0	0	0	0	113.4	N34 V35	N34-S37 WeakPolarHBondContact O-CB 3.36Å; N34-S37 PolarHBondContact O-N 3.14Å; N34-S37 PolarHBondContact O-OG 3.37Å; V35-S37 PolarHBondContact O-N 3.46Å
38	F	96.4	Very high	87.6	Confident	65 Å²	65	91.6 Å²	91.6	29%	0.285	50%	0.497	S	S	.	.	S	Bend	trans	-72.9	145.6	178.9	-65.3	-21.1	0	0	0	111.5	P33 V35 N72 N74	P33-F38 HydrophobicContact CB-CE1 3.49Å; P33-F38 VanDerWaalsContact CB-CE1 3.49Å; P33-F38 HydrophobicContact CB-CZ 3.76Å; P33-F38 HydrophobicContact CG-CE1 4.33Å; P33-F38 HydrophobicContact CG-CZ 4.42Å; V35-F38 PolarHBondContact O-N 3.42Å; F38-N72 HydrophobicContact CD2-CB 4.04Å; F38-N74 HydrophobicContact CB-CB 3.99Å; F38-N74 PolarHBondContact O-ND2 3.47Å
39	P	97.1	Very high	89.2	Confident	95 Å²	95	89.2 Å²	89.2	62%	0.617	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-69.9	161.9	174.1	31.5	-36	0	0	0	110.9	E41 N72	P39-E41 PolarHBondContact O-N 3.31Å; P39-N72 PolarHBondContact O-ND2 3.05Å
40	M	97.7	Very high	91	Very high	88 Å²	88	89 Å²	89	43%	0.433	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-59.6	139.5	165.5	62.8	118.1	-89.8	0	0	110.7	F53 F64	M40-F53 HydrophobicContact CB-CB 4.34Å; M40-F53 HydrophobicContact CB-CD1 3.95Å; M40-F53 HydrophobicContact CB-CD2 3.68Å; M40-F53 HydrophobicContact CB-CE1 4.15Å; M40-F53 HydrophobicContact CB-CE2 3.89Å; M40-F53 HydrophobicContact CB-CG 3.71Å; M40-F53 HydrophobicContact CB-CZ 4.12Å; M40-F53 HydrophobicContact CG-CE1 4.46Å; M40-F53 HydrophobicContact CG-CE2 4.22Å; M40-F53 HydrophobicContact CG-CZ 4.21Å; M40-F64 HydrophobicContact CB-CB 4.48Å; M40-F64 HydrophobicContact CB-CD2 3.99Å; M40-F64 HydrophobicContact CB-CE2 4.37Å; M40-F64 HydrophobicContact CB-CG 4.15Å; M40-F64 HydrophobicContact SD-CB 4.28Å; M40-F64 HydrophobicContact SD-CD2 4.24Å
41	E	98.4	Very high	92.6	Very high	83 Å²	83	85.1 Å²	85.1	39%	0.388	45%	0.454	S	S	.	.			trans	-138.8	107.9	-178.9	-170.5	174	180	0	0	111.8	P39 G43 N72	P39-E41 PolarHBondContact O-N 3.31Å; E41-G43 VanDerWaalsContact C-N 3.28Å; E41-G43 PolarHBondContact O-N 2.87Å; E41-N72 VanDerWaalsContact CB-ND2 3.26Å; E41-N72 WeakPolarHBondContact CB-ND2 3.34Å; E41-N72 WeakPolarHBondContact OE2-CB 3.4Å; E41-N72 PolarHBondContact OE2-N 2.82Å; E41-N72 PolarHBondContact OE2-ND2 3.21Å
42	K	98.5	Very high	94.2	Very high	109 Å²	109	80.9 Å²	80.9	47%	0.474	43%	0.428	S	S	.	.			trans	-64.1	-34.1	177.6	179.3	175.5	177.9	-177.2	0	112.1	A65 Y66 G67	K42-A65 WeakPolarHBondContact CG-O 3.4Å; K42-Y66 VanDerWaalsContact O-CD2 3.32Å; K42-Y66 WeakPolarHBondContact O-CD2 3.36Å; K42-G67 VanDerWaalsContact O-CA 3.24Å; K42-G67 WeakPolarHBondContact O-CA 3.44Å; K42-G67 PolarHBondContact O-N 3.32Å
43	G	98.3	Very high	95.8	Very high	21 Å²	21	76.2 Å²	76.2	22%	0.216	40%	0.402	C	S	.	.			trans	70.1	177.1	-169.1	0	0	0	0	0	113.2	E41 C69	E41-G43 VanDerWaalsContact C-N 3.28Å; E41-G43 PolarHBondContact O-N 2.87Å; G43-C69 WeakPolarHBondContact CA-O 3.5Å
44	P	98.3	Very high	97.1	Very high	94 Å²	94	73.7 Å²	73.7	61%	0.61	38%	0.383	S	S	*	.	S	Bend	trans	-85.1	-14.8	-170.8	32.5	-34	0	0	0	114.4	R70	P44-R70 HydrophobicContact CG-CB 4.3Å
45	C	98.6	Very high	97.6	Very high	51 Å²	51	71.1 Å²	71.1	35%	0.345	37%	0.37	S	S	.	.			trans	-72.3	159.6	177.4	-70.7	0	0	0	0	111.6	G67 C69	C45-G67 CarbonylContact C-O 3.56Å; C45-G67 WeakPolarHBondContact CB-O 3.4Å; C45-G67 WeakPolarHBondContact O-CA 3.36Å; C45-C69 HydrophobicContact CB-CB 3.87Å; C45-C69 WeakPolarHBondContact CB-SG 3.14Å; C45-C69 WeakPolarHBondContact SG-CB 3Å; C45-C69 CovalentContact SG-SG 2.02Å; C45-C69 PolarHBondContact SG-SG 3.23Å
46	Q	98.2	Very high	97.6	Very high	188 Å²	188	73.1 Å²	73.1	88%	0.879	39%	0.385	S	S	*	.			trans	-112.2	14.5	-169.9	-61.5	-176.5	-2.4	0	0	114.1	G67	Q46-G67 PolarHBondContact N-O 3.12Å
47	A	98.4	Very high	97.6	Very high	51 Å²	51	81.3 Å²	81.3	42%	0.421	42%	0.423	S	S	.	.			trans	-65.7	158.4	169.7	0	0	0	0	0	110.1	M49 G67	A47-M49 HydrophobicContact CB-CG 4.14Å; A47-G67 VanDerWaalsContact CB-O 3.31Å; A47-G67 WeakPolarHBondContact CB-O 3.37Å; A47-G67 PolarHBondContact N-O 2.68Å; A47-G67 WeakPolarHBondContact O-CA 3.32Å
48	Y	98	Very high	97.7	Very high	182 Å²	182	81.4 Å²	81.4	71%	0.714	42%	0.421	S	S	*	.			trans	-112.8	87.4	174.6	-170.2	-97.7	0	0	0	109.2	I50 A65	Y48-I50 HydrophobicContact CD1-CD1 4.35Å; Y48-I50 HydrophobicContact CE1-CD1 3.51Å; Y48-I50 HydrophobicContact CE1-CG1 3.99Å; Y48-A65 HydrophobicContact CD2-CB 3.97Å; Y48-A65 HydrophobicContact CE2-CB 3.62Å
49	M	98.6	Very high	97.6	Very high	75 Å²	75	79.8 Å²	79.8	37%	0.369	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.4	-179.9	-54.1	-175.5	83	0	0	109.4	A47 R51 Y66	A47-M49 HydrophobicContact CB-CG 4.14Å; M49-R51 PolarHBondContact O-N 3.14Å; M49-Y66 HydrophobicContact CB-CD1 4.42Å; M49-Y66 WeakPolarHBondContact CB-O 3.35Å; M49-Y66 PolarHBondContact N-O 2.91Å; M49-Y66 PolarHBondContact O-N 2.87Å; M49-Y66 HydrophobicContact SD-CD1 4.22Å
50	I	98.6	Very high	97.6	Very high	84 Å²	84	79.2 Å²	79.2	43%	0.431	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.8	173.7	-61.4	-57.2	0	0	0	109.1	Y48 L63	Y48-I50 HydrophobicContact CD1-CD1 4.35Å; Y48-I50 HydrophobicContact CE1-CD1 3.51Å; Y48-I50 HydrophobicContact CE1-CG1 3.99Å; I50-L63 HydrophobicContact CG2-CD1 4.38Å; I50-L63 HydrophobicContact CG2-CD2 3.56Å; I50-L63 HydrophobicContact CG2-CG 4.39Å
51	R	98.8	Very high	97.7	Very high	56 Å²	56	75.2 Å²	75.2	21%	0.211	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	165.8	-178.3	-65.1	-66	179.7	79.8	-1.5	109.9	M49 L63 F64 Y66 N75 F76	M49-R51 PolarHBondContact O-N 3.14Å; R51-L63 CarbonylContact O-C 3.18Å; R51-L63 WeakPolarHBondContact O-CA 3.26Å; R51-F64 HydrophobicContact CB-CD1 3.98Å; R51-F64 HydrophobicContact CB-CE1 3.48Å; R51-F64 VanDerWaalsContact CB-CE1 3.48Å; R51-F64 HydrophobicContact CB-CZ 4.08Å; R51-F64 PolarHBondContact N-O 2.78Å; R51-F64 WeakPolarHBondContact O-CD1 3.45Å; R51-F64 PolarHBondContact O-N 2.91Å; R51-Y66 HydrophobicContact CG-CD1 4.33Å; R51-Y66 HydrophobicContact CG-CG 4.41Å; R51-N75 WeakPolarHBondContact CB-OD1 3.32Å; R51-N75 WeakPolarHBondContact CD-OD1 2.93Å; R51-N75 WeakPolarHBondContact CG-OD1 3Å; R51-N75 PolarHBondContact NH1-OD1 3.26Å; R51-F76 WeakPolarHBondContact CA-O 3.46Å; R51-F76 WeakPolarHBondContact CD-O 3.42Å
52	W	98.8	Very high	97.7	Very high	59 Å²	59	74.2 Å²	74.2	22%	0.223	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.1	174.3	-63.6	85.5	0	0	0	109.9	C61 E62 L63 N75 F76 K79 C82	W52-C61 HydrophobicContact CE3-CB 4.17Å; W52-C61 WeakPolarHBondContact CZ3-O 3.49Å; W52-E62 CarbonylContact C-O 3.56Å; W52-E62 VanDerWaalsContact CA-O 3.29Å; W52-E62 WeakPolarHBondContact CA-O 3.38Å; W52-L63 HydrophobicContact CD2-CD2 3.55Å; W52-L63 HydrophobicContact CD2-CG 4.3Å; W52-L63 HydrophobicContact CE3-CD2 3.94Å; W52-L63 HydrophobicContact CE3-CG 4.19Å; W52-L63 HydrophobicContact CG-CD2 4.07Å; W52-L63 HydrophobicContact CH2-CD1 4.4Å; W52-L63 HydrophobicContact CH2-CD2 3.92Å; W52-L63 HydrophobicContact CH2-CG 3.9Å; W52-L63 HydrophobicContact CZ2-CD1 4.44Å; W52-L63 HydrophobicContact CZ2-CD2 3.5Å; W52-L63 VanDerWaalsContact CZ2-CD2 3.5Å; W52-L63 HydrophobicContact CZ2-CG 3.98Å; W52-L63 HydrophobicContact CZ3-CD2 4.11Å; W52-L63 HydrophobicContact CZ3-CG 3.99Å; W52-N75 CarbonylContact O-C 3.57Å; W52-N75 WeakPolarHBondContact O-CA 3.37Å; W52-F76 HydrophobicContact CB-CB 4.24Å; W52-F76 PolarHBondContact N-O 2.78Å; W52-F76 WeakPolarHBondContact O-CD2 3.2Å; W52-F76 PolarHBondContact O-N 2.82Å; W52-K79 HydrophobicContact CD2-CB 3.81Å; W52-K79 HydrophobicContact CD2-CG 4.04Å; W52-K79 HydrophobicContact CE3-CB 4.06Å; W52-K79 HydrophobicContact CE3-CD 4.43Å; W52-K79 HydrophobicContact CE3-CG 3.75Å; W52-K79 HydrophobicContact CG-CB 4.43Å; W52-K79 HydrophobicContact CH2-CB 3.98Å; W52-K79 HydrophobicContact CH2-CD 3.77Å; W52-K79 HydrophobicContact CH2-CG 3.86Å; W52-K79 HydrophobicContact CZ2-CB 3.72Å; W52-K79 HydrophobicContact CZ2-CD 4.34Å; W52-K79 HydrophobicContact CZ2-CG 4.14Å; W52-K79 HydrophobicContact CZ3-CB 4.14Å; W52-K79 HydrophobicContact CZ3-CD 3.82Å; W52-K79 HydrophobicContact CZ3-CG 3.66Å; W52-C82 HydrophobicContact CB-CB 4.1Å
53	F	98.6	Very high	97.7	Very high	21 Å²	21	73.7 Å²	73.7	9%	0.092	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.5	166.4	79.7	-73.9	0	0	0	108.5	M40 N55 C61 E62 F64 N74	M40-F53 HydrophobicContact CB-CB 4.34Å; M40-F53 HydrophobicContact CB-CD1 3.95Å; M40-F53 HydrophobicContact CB-CD2 3.68Å; M40-F53 HydrophobicContact CB-CE1 4.15Å; M40-F53 HydrophobicContact CB-CE2 3.89Å; M40-F53 HydrophobicContact CB-CG 3.71Å; M40-F53 HydrophobicContact CB-CZ 4.12Å; M40-F53 HydrophobicContact CG-CE1 4.46Å; M40-F53 HydrophobicContact CG-CE2 4.22Å; M40-F53 HydrophobicContact CG-CZ 4.21Å; F53-N55 HydrophobicContact CE2-CB 3.71Å; F53-N55 HydrophobicContact CZ-CB 3.94Å; F53-C61 CarbonylContact O-C 3.58Å; F53-C61 WeakPolarHBondContact O-CA 3.43Å; F53-E62 HydrophobicContact CD1-CB 4.29Å; F53-E62 VanDerWaalsContact CD1-O 3.31Å; F53-E62 WeakPolarHBondContact CD1-O 3.12Å; F53-E62 HydrophobicContact CE1-CB 3.7Å; F53-E62 HydrophobicContact CZ-CB 4.15Å; F53-E62 PolarHBondContact N-O 3.2Å; F53-E62 PolarHBondContact O-N 3.23Å; F53-F64 HydrophobicContact CB-CD1 3.92Å; F53-F64 HydrophobicContact CB-CE1 3.87Å; F53-F64 HydrophobicContact CD1-CB 3.89Å; F53-F64 AromaticContact CD1-CD1 3.67Å; F53-F64 HydrophobicContact CD1-CD1 3.67Å; F53-F64 HydrophobicContact CD1-CE1 4.47Å; F53-F64 AromaticContact CD1-CG 3.99Å; F53-F64 HydrophobicContact CD1-CG 3.99Å; F53-F64 HydrophobicContact CE1-CB 4.08Å; F53-F64 HydrophobicContact CG-CD1 4.18Å; F53-N74 WeakPolarHBondContact CA-OD1 3.18Å; F53-N74 VanDerWaalsContact CB-O 3.26Å; F53-N74 WeakPolarHBondContact CB-O 3.46Å
54	F	98.1	Very high	97.7	Very high	27 Å²	27	73.3 Å²	73.3	12%	0.118	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.8	170.7	-174.9	-101.4	0	0	0	109.4	C36 G59 N74 C86 K87	C36-F54 HydrophobicContact CB-CB 4.43Å; C36-F54 HydrophobicContact CB-CD1 3.9Å; C36-F54 HydrophobicContact CB-CE1 4.47Å; C36-F54 HydrophobicContact CB-CG 4.31Å; C36-F54 WeakPolarHBondContact O-CD1 3.31Å; F54-G59 WeakPolarHBondContact CE2-O 3.26Å; F54-N74 PolarHBondContact N-OD1 2.78Å; F54-N74 PolarHBondContact O-ND2 3.14Å; F54-C86 HydrophobicContact CB-CB 3.68Å; F54-C86 HydrophobicContact CD1-CB 4.06Å; F54-C86 HydrophobicContact CD2-CB 3.38Å; F54-C86 HydrophobicContact CE2-CB 3.95Å; F54-C86 HydrophobicContact CG-CB 3.42Å; F54-C86 VanDerWaalsContact CG-CB 3.42Å; F54-C86 HydrophobicContact CZ-CB 4.48Å; F54-K87 HydrophobicContact CE2-CG 4.05Å
55	N	97.4	Very high	97.7	Very high	24 Å²	24	70.3 Å²	70.3	13%	0.128	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	106.8	172.8	-177.3	-16.4	0	0	0	108.5	F53 E57 T58 G59 E60 E62	F53-N55 HydrophobicContact CE2-CB 3.71Å; F53-N55 HydrophobicContact CZ-CB 3.94Å; N55-E57 PolarHBondContact O-N 3.33Å; N55-E57 VanDerWaalsContact OD1-CB 3.31Å; N55-E57 WeakPolarHBondContact OD1-CB 3.22Å; N55-E57 PolarHBondContact OD1-N 2.75Å; N55-T58 WeakPolarHBondContact CB-OG1 3.29Å; N55-T58 PolarHBondContact O-N 2.89Å; N55-T58 PolarHBondContact O-OG1 2.84Å; N55-T58 PolarHBondContact OD1-N 2.02Å; N55-G59 WeakPolarHBondContact O-CA 3.33Å; N55-G59 PolarHBondContact O-N 3.29Å; N55-E60 PolarHBondContact N-O 3.2Å; N55-E60 PolarHBondContact O-N 2.04Å; N55-E62 HydrophobicContact CB-CG 4.19Å; N55-E62 VanDerWaalsContact ND2-CD 3.31Å; N55-E62 PolarHBondContact ND2-OE1 2.89Å; N55-E62 PolarHBondContact ND2-OE2 2.84Å
56	S	93.9	Very high	97.7	Very high	83 Å²	83	69.3 Å²	69.3	58%	0.58	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18.3	-179.2	56.4	0	0	0	0	113.7
57	E	94.8	Very high	97.8	Very high	180 Å²	180	60.4 Å²	60.4	84%	0.841	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-38.6	175.6	-57.4	-178.1	172.8	0	0	111.3	N55	N55-E57 PolarHBondContact O-N 3.33Å; N55-E57 VanDerWaalsContact OD1-CB 3.31Å; N55-E57 WeakPolarHBondContact OD1-CB 3.22Å; N55-E57 PolarHBondContact OD1-N 2.75Å
58	T	96.6	Very high	97.8	Very high	74 Å²	74	59.6 Å²	59.6	45%	0.454	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-18.3	179.4	62.8	0	0	0	0	112.9	N55 E60 E62	N55-T58 WeakPolarHBondContact CB-OG1 3.29Å; N55-T58 PolarHBondContact O-N 2.89Å; N55-T58 PolarHBondContact O-OG1 2.84Å; N55-T58 PolarHBondContact OD1-N 2.02Å; T58-E60 PolarHBondContact OG1-N 3.33Å; T58-E62 WeakPolarHBondContact CB-OE1 3.47Å; T58-E62 VanDerWaalsContact CG2-OE1 3.28Å; T58-E62 WeakPolarHBondContact CG2-OE1 3.31Å; T58-E62 PolarHBondContact OG1-OE1 2.89Å
59	G	94.9	Very high	97.8	Very high	31 Å²	31	52.4 Å²	52.4	32%	0.32	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	14.8	-173.2	0	0	0	0	0	113.5	F54 N55 K87	F54-G59 WeakPolarHBondContact CE2-O 3.26Å; N55-G59 WeakPolarHBondContact O-CA 3.33Å; N55-G59 PolarHBondContact O-N 3.29Å; G59-K87 WeakPolarHBondContact O-CE 3.39Å
60	E	97.3	Very high	97.7	Very high	82 Å²	82	58.4 Å²	58.4	38%	0.383	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154	-170.8	-71.1	-63.2	137.8	0	0	112.4	N55 T58 E62 K87	N55-E60 PolarHBondContact N-O 3.2Å; N55-E60 PolarHBondContact O-N 2.04Å; T58-E60 PolarHBondContact OG1-N 3.33Å; E60-E62 HydrophobicContact CB-CG 4.46Å; E60-K87 IonicContact OE1-NZ 2.68Å; E60-K87 PolarHBondContact OE1-NZ 3.21Å; E60-K87 IonicContact OE2-NZ 3.14Å; E60-K87 PolarHBondContact OE2-NZ 2.82Å
61	C	98.3	Very high	97.6	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.034	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.3	168.8	-72.7	0	0	0	0	109.1	W52 F53 K79 C82 E83	W52-C61 HydrophobicContact CE3-CB 4.17Å; W52-C61 WeakPolarHBondContact CZ3-O 3.49Å; F53-C61 CarbonylContact O-C 3.58Å; F53-C61 WeakPolarHBondContact O-CA 3.43Å; C61-K79 HydrophobicContact CB-CG 4.21Å; C61-C82 HydrophobicContact CB-CB 3.79Å; C61-C82 WeakPolarHBondContact CB-SG 3.47Å; C61-C82 WeakPolarHBondContact SG-CB 3.02Å; C61-C82 CovalentContact SG-SG 2.04Å; C61-C82 PolarHBondContact SG-SG 3.01Å; C61-E83 HydrophobicContact CB-CG 4.04Å; C61-E83 PolarHBondContact SG-N 2.9Å
62	E	98.6	Very high	97.6	Very high	62 Å²	62	54.6 Å²	54.6	29%	0.29	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.6	-172.9	-68.6	176.9	-169.9	0	0	111.5	W52 F53 N55 T58 E60	W52-E62 CarbonylContact C-O 3.56Å; W52-E62 VanDerWaalsContact CA-O 3.29Å; W52-E62 WeakPolarHBondContact CA-O 3.38Å; F53-E62 HydrophobicContact CD1-CB 4.29Å; F53-E62 VanDerWaalsContact CD1-O 3.31Å; F53-E62 WeakPolarHBondContact CD1-O 3.12Å; F53-E62 HydrophobicContact CE1-CB 3.7Å; F53-E62 HydrophobicContact CZ-CB 4.15Å; F53-E62 PolarHBondContact N-O 3.2Å; F53-E62 PolarHBondContact O-N 3.23Å; N55-E62 HydrophobicContact CB-CG 4.19Å; N55-E62 VanDerWaalsContact ND2-CD 3.31Å; N55-E62 PolarHBondContact ND2-OE1 2.89Å; N55-E62 PolarHBondContact ND2-OE2 2.84Å; T58-E62 WeakPolarHBondContact CB-OE1 3.47Å; T58-E62 VanDerWaalsContact CG2-OE1 3.28Å; T58-E62 WeakPolarHBondContact CG2-OE1 3.31Å; T58-E62 PolarHBondContact OG1-OE1 2.89Å; E60-E62 HydrophobicContact CB-CG 4.46Å
63	L	98.7	Very high	97.5	Very high	97 Å²	97	55.4 Å²	55.4	51%	0.508	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	140.9	178.8	-70.2	175.2	0	0	0	111.4	I50 R51 W52	I50-L63 HydrophobicContact CG2-CD1 4.38Å; I50-L63 HydrophobicContact CG2-CD2 3.56Å; I50-L63 HydrophobicContact CG2-CG 4.39Å; R51-L63 CarbonylContact O-C 3.18Å; R51-L63 WeakPolarHBondContact O-CA 3.26Å; W52-L63 HydrophobicContact CD2-CD2 3.55Å; W52-L63 HydrophobicContact CD2-CG 4.3Å; W52-L63 HydrophobicContact CE3-CD2 3.94Å; W52-L63 HydrophobicContact CE3-CG 4.19Å; W52-L63 HydrophobicContact CG-CD2 4.07Å; W52-L63 HydrophobicContact CH2-CD1 4.4Å; W52-L63 HydrophobicContact CH2-CD2 3.92Å; W52-L63 HydrophobicContact CH2-CG 3.9Å; W52-L63 HydrophobicContact CZ2-CD1 4.44Å; W52-L63 HydrophobicContact CZ2-CD2 3.5Å; W52-L63 VanDerWaalsContact CZ2-CD2 3.5Å; W52-L63 HydrophobicContact CZ2-CG 3.98Å; W52-L63 HydrophobicContact CZ3-CD2 4.11Å; W52-L63 HydrophobicContact CZ3-CG 3.99Å
64	F	98.6	Very high	97.5	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.057	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.5	168.5	81.8	-67.9	0	0	0	112	M40 R51 F53 N75	M40-F64 HydrophobicContact CB-CB 4.48Å; M40-F64 HydrophobicContact CB-CD2 3.99Å; M40-F64 HydrophobicContact CB-CE2 4.37Å; M40-F64 HydrophobicContact CB-CG 4.15Å; M40-F64 HydrophobicContact SD-CB 4.28Å; M40-F64 HydrophobicContact SD-CD2 4.24Å; R51-F64 HydrophobicContact CB-CD1 3.98Å; R51-F64 HydrophobicContact CB-CE1 3.48Å; R51-F64 VanDerWaalsContact CB-CE1 3.48Å; R51-F64 HydrophobicContact CB-CZ 4.08Å; R51-F64 PolarHBondContact N-O 2.78Å; R51-F64 WeakPolarHBondContact O-CD1 3.45Å; R51-F64 PolarHBondContact O-N 2.91Å; F53-F64 HydrophobicContact CB-CD1 3.92Å; F53-F64 HydrophobicContact CB-CE1 3.87Å; F53-F64 HydrophobicContact CD1-CB 3.89Å; F53-F64 AromaticContact CD1-CD1 3.67Å; F53-F64 HydrophobicContact CD1-CD1 3.67Å; F53-F64 HydrophobicContact CD1-CE1 4.47Å; F53-F64 AromaticContact CD1-CG 3.99Å; F53-F64 HydrophobicContact CD1-CG 3.99Å; F53-F64 HydrophobicContact CE1-CB 4.08Å; F53-F64 HydrophobicContact CG-CD1 4.18Å; F64-N75 HydrophobicContact CE1-CB 4.46Å; F64-N75 HydrophobicContact CZ-CB 4.1Å
65	A	98.6	Very high	97.5	Very high	32 Å²	32	54.5 Å²	54.5	26%	0.264	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	107.8	176.3	0	0	0	0	0	110.6	K42 Y48	K42-A65 WeakPolarHBondContact CG-O 3.4Å; Y48-A65 HydrophobicContact CD2-CB 3.97Å; Y48-A65 HydrophobicContact CE2-CB 3.62Å
66	Y	98.8	Very high	97.5	Very high	30 Å²	30	54.5 Å²	54.5	12%	0.118	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.7	173.3	176.7	-128.3	0	0	0	111.2	K42 M49 R51 G68 C69 N75	K42-Y66 VanDerWaalsContact O-CD2 3.32Å; K42-Y66 WeakPolarHBondContact O-CD2 3.36Å; M49-Y66 HydrophobicContact CB-CD1 4.42Å; M49-Y66 WeakPolarHBondContact CB-O 3.35Å; M49-Y66 PolarHBondContact N-O 2.91Å; M49-Y66 PolarHBondContact O-N 2.87Å; M49-Y66 HydrophobicContact SD-CD1 4.22Å; R51-Y66 HydrophobicContact CG-CD1 4.33Å; R51-Y66 HydrophobicContact CG-CG 4.41Å; Y66-G68 VanDerWaalsContact CZ-C 3.45Å; Y66-G68 PolarHBondContact O-N 3.48Å; Y66-C69 WeakPolarHBondContact OH-CA 3.26Å; Y66-C69 PolarHBondContact OH-N 3.49Å; Y66-C69 VanDerWaalsContact OH-N 3.16Å; Y66-N75 VanDerWaalsContact CD2-ND2 3.33Å; Y66-N75 WeakPolarHBondContact CD2-ND2 3.45Å
67	G	98.6	Very high	97.7	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.			trans	-72.3	-11.6	-178	0	0	0	0	0	114.6	K42 C45 Q46 A47	K42-G67 VanDerWaalsContact O-CA 3.24Å; K42-G67 WeakPolarHBondContact O-CA 3.44Å; K42-G67 PolarHBondContact O-N 3.32Å; C45-G67 CarbonylContact C-O 3.56Å; C45-G67 WeakPolarHBondContact CB-O 3.4Å; C45-G67 WeakPolarHBondContact O-CA 3.36Å; Q46-G67 PolarHBondContact N-O 3.12Å; A47-G67 VanDerWaalsContact CB-O 3.31Å; A47-G67 WeakPolarHBondContact CB-O 3.37Å; A47-G67 PolarHBondContact N-O 2.68Å; A47-G67 WeakPolarHBondContact O-CA 3.32Å
68	G	98.4	Very high	97.9	Very high	34 Å²	34	53 Å²	53	35%	0.351	29%	0.29	S	S	.	.	S	Bend	trans	97.4	-6.4	176	0	0	0	0	0	115.4	Y66	Y66-G68 VanDerWaalsContact CZ-C 3.45Å; Y66-G68 PolarHBondContact O-N 3.48Å
69	C	98.3	Very high	98	Very high	31 Å²	31	52.5 Å²	52.5	21%	0.209	28%	0.282	C	S	.	.	S	Bend	trans	-150.5	156.3	173.4	77.8	0	0	0	0	112.8	G43 C45 Y66 G71	G43-C69 WeakPolarHBondContact CA-O 3.5Å; C45-C69 HydrophobicContact CB-CB 3.87Å; C45-C69 WeakPolarHBondContact CB-SG 3.14Å; C45-C69 WeakPolarHBondContact SG-CB 3Å; C45-C69 CovalentContact SG-SG 2.02Å; C45-C69 PolarHBondContact SG-SG 3.23Å; Y66-C69 WeakPolarHBondContact OH-CA 3.26Å; Y66-C69 PolarHBondContact OH-N 3.49Å; Y66-C69 VanDerWaalsContact OH-N 3.16Å; C69-G71 VanDerWaalsContact C-N 3.28Å; C69-G71 PolarHBondContact O-N 2.83Å
70	R	97.4	Very high	98.1	Very high	202 Å²	202	57 Å²	57	76%	0.762	30%	0.295	S	S	*	.	S	Bend	trans	49.1	41.7	171.1	-54.6	175.3	174.4	-99	1.1	114.3	P44	P44-R70 HydrophobicContact CG-CB 4.3Å
71	G	96.8	Very high	98.1	Very high	27 Å²	27	56.9 Å²	56.9	28%	0.278	29%	0.294	S	S	.	.			trans	-90.2	-178.1	160.3	0	0	0	0	0	110.8	C69	C69-G71 VanDerWaalsContact C-N 3.28Å; C69-G71 PolarHBondContact O-N 2.83Å
72	N	97.8	Very high	98.1	Very high	32 Å²	32	56.7 Å²	56.7	17%	0.171	29%	0.293	C	S	.	.			trans	-96.2	-177	172.6	67.8	61.5	0	0	0	112.6	F38 P39 E41 N74 N75	F38-N72 HydrophobicContact CD2-CB 4.04Å; P39-N72 PolarHBondContact O-ND2 3.05Å; E41-N72 VanDerWaalsContact CB-ND2 3.26Å; E41-N72 WeakPolarHBondContact CB-ND2 3.34Å; E41-N72 WeakPolarHBondContact OE2-CB 3.4Å; E41-N72 PolarHBondContact OE2-N 2.82Å; E41-N72 PolarHBondContact OE2-ND2 3.21Å; N72-N74 VanDerWaalsContact C-N 3.33Å; N72-N74 PolarHBondContact O-N 3.17Å; N72-N74 WeakPolarHBondContact OD1-CB 3.4Å; N72-N74 PolarHBondContact OD1-N 2.86Å; N72-N75 WeakPolarHBondContact O-CB 3.45Å
73	S	97.1	Very high	98	Very high	77 Å²	77	56 Å²	56	54%	0.538	29%	0.29	S	S	.	.	S	Bend	trans	-75.5	-11.8	-174.5	-57.2	0	0	0	0	115.1	V35 N75	V35-S73 VanDerWaalsContact CG1-C 3.48Å; V35-S73 VanDerWaalsContact CG1-O 3.26Å; V35-S73 WeakPolarHBondContact CG1-O 3.38Å; S73-N75 PolarHBondContact O-N 3.48Å
74	N	97.9	Very high	97.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.305	C	S	.	.			trans	-77.8	62.6	172.2	-165	4.3	0	0	0	109.9	V35 F38 F53 F54 N72 F76	V35-N74 HydrophobicContact CG1-CB 4.44Å; V35-N74 WeakPolarHBondContact O-CB 3.18Å; F38-N74 HydrophobicContact CB-CB 3.99Å; F38-N74 PolarHBondContact O-ND2 3.47Å; F53-N74 WeakPolarHBondContact CA-OD1 3.18Å; F53-N74 VanDerWaalsContact CB-O 3.26Å; F53-N74 WeakPolarHBondContact CB-O 3.46Å; F54-N74 PolarHBondContact N-OD1 2.78Å; F54-N74 PolarHBondContact O-ND2 3.14Å; N72-N74 VanDerWaalsContact C-N 3.33Å; N72-N74 PolarHBondContact O-N 3.17Å; N72-N74 WeakPolarHBondContact OD1-CB 3.4Å; N72-N74 PolarHBondContact OD1-N 2.86Å; N74-F76 WeakPolarHBondContact OD1-CE2 3.49Å
75	N	98.5	Very high	97.5	Very high	28 Å²	28	65.5 Å²	65.5	15%	0.15	33%	0.33	C	S	.	.			trans	-154.5	98.6	-170.8	-175.6	-31.5	0	0	0	109.5	R51 W52 F64 Y66 N72 S73	R51-N75 WeakPolarHBondContact CB-OD1 3.32Å; R51-N75 WeakPolarHBondContact CD-OD1 2.93Å; R51-N75 WeakPolarHBondContact CG-OD1 3Å; R51-N75 PolarHBondContact NH1-OD1 3.26Å; W52-N75 CarbonylContact O-C 3.57Å; W52-N75 WeakPolarHBondContact O-CA 3.37Å; F64-N75 HydrophobicContact CE1-CB 4.46Å; F64-N75 HydrophobicContact CZ-CB 4.1Å; Y66-N75 VanDerWaalsContact CD2-ND2 3.33Å; Y66-N75 WeakPolarHBondContact CD2-ND2 3.45Å; N72-N75 WeakPolarHBondContact O-CB 3.45Å; S73-N75 PolarHBondContact O-N 3.48Å
76	F	98.4	Very high	97.4	Very high	25 Å²	25	64.3 Å²	64.3	11%	0.11	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-113	151.1	-174.6	-53.4	-86.1	0	0	0	110.9	V35 R51 W52 N74 E81 C82 M85	V35-F76 HydrophobicContact CG1-CZ 4.02Å; R51-F76 WeakPolarHBondContact CA-O 3.46Å; R51-F76 WeakPolarHBondContact CD-O 3.42Å; W52-F76 HydrophobicContact CB-CB 4.24Å; W52-F76 PolarHBondContact N-O 2.78Å; W52-F76 WeakPolarHBondContact O-CD2 3.2Å; W52-F76 PolarHBondContact O-N 2.82Å; N74-F76 WeakPolarHBondContact OD1-CE2 3.49Å; F76-E81 HydrophobicContact CB-CB 4.19Å; F76-E81 HydrophobicContact CD1-CB 4.2Å; F76-C82 HydrophobicContact CB-CB 3.96Å; F76-C82 HydrophobicContact CD2-CB 3.44Å; F76-C82 VanDerWaalsContact CD2-CB 3.44Å; F76-C82 HydrophobicContact CE2-CB 4.06Å; F76-C82 HydrophobicContact CG-CB 3.75Å; F76-M85 HydrophobicContact CE1-CB 3.92Å; F76-M85 HydrophobicContact CE1-CG 4.01Å; F76-M85 HydrophobicContact CZ-CB 3.95Å; F76-M85 HydrophobicContact CZ-CG 3.87Å
77	S	98.3	Very high	97	Very high	71 Å²	71	65.6 Å²	65.6	50%	0.497	33%	0.326	S	S	.	.	S	Bend	trans	-83.2	-26	-178.7	73.6	0	0	0	0	112.5	E81	S77-E81 PolarHBondContact N-OE2 3.42Å; S77-E81 PolarHBondContact OG-OE1 3.41Å; S77-E81 PolarHBondContact OG-OE2 3.3Å
78	R	98.4	Very high	96	Very high	159 Å²	159	74.6 Å²	74.6	60%	0.6	37%	0.365	S	S	*	.	S	Bend	trans	-131.5	154.5	-178.2	-57.3	178.9	-173.6	-144.3	0	110.9	E80 E81 C82	R78-E80 VanDerWaalsContact C-N 3.32Å; R78-E80 WeakPolarHBondContact CB-OE2 3.32Å; R78-E80 PolarHBondContact O-N 2.87Å; R78-E81 HydrophobicContact CB-CB 4.49Å; R78-E81 HydrophobicContact CB-CG 4.08Å; R78-E81 PolarHBondContact N-OE2 2.94Å; R78-E81 PolarHBondContact O-N 2.88Å; R78-C82 PolarHBondContact O-N 3.44Å
79	K	97.8	Very high	93.8	Very high	65 Å²	65	82.8 Å²	82.8	28%	0.283	41%	0.409	S	S	.	.	H	α-helix	trans	-63.1	-42.9	178.6	-166.5	-175.1	-171.2	-138.3	0	110.8	W52 C61 E81 C82 E83	W52-K79 HydrophobicContact CD2-CB 3.81Å; W52-K79 HydrophobicContact CD2-CG 4.04Å; W52-K79 HydrophobicContact CE3-CB 4.06Å; W52-K79 HydrophobicContact CE3-CD 4.43Å; W52-K79 HydrophobicContact CE3-CG 3.75Å; W52-K79 HydrophobicContact CG-CB 4.43Å; W52-K79 HydrophobicContact CH2-CB 3.98Å; W52-K79 HydrophobicContact CH2-CD 3.77Å; W52-K79 HydrophobicContact CH2-CG 3.86Å; W52-K79 HydrophobicContact CZ2-CB 3.72Å; W52-K79 HydrophobicContact CZ2-CD 4.34Å; W52-K79 HydrophobicContact CZ2-CG 4.14Å; W52-K79 HydrophobicContact CZ3-CB 4.14Å; W52-K79 HydrophobicContact CZ3-CD 3.82Å; W52-K79 HydrophobicContact CZ3-CG 3.66Å; C61-K79 HydrophobicContact CB-CG 4.21Å; K79-E81 VanDerWaalsContact C-N 3.26Å; K79-E81 PolarHBondContact O-N 2.8Å; K79-C82 WeakPolarHBondContact O-CB 3.33Å; K79-C82 PolarHBondContact O-N 3.01Å; K79-C82 VanDerWaalsContact O-N 3.12Å; K79-E83 WeakPolarHBondContact CE-OE1 3.43Å; K79-E83 HydrophobicContact CG-CG 4.23Å; K79-E83 IonicContact NZ-OE1 2.78Å; K79-E83 PolarHBondContact NZ-OE1 3.17Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 3.42Å
80	E	97.5	Very high	93.6	Very high	125 Å²	125	85.4 Å²	85.4	58%	0.584	42%	0.419	S	S	*	.	H	α-helix	trans	-65.2	-31.9	-175.8	-57.2	75.5	-164.4	0	0	111.8	R78 K84	R78-E80 VanDerWaalsContact C-N 3.32Å; R78-E80 WeakPolarHBondContact CB-OE2 3.32Å; R78-E80 PolarHBondContact O-N 2.87Å; E80-K84 WeakPolarHBondContact O-CB 3.24Å; E80-K84 PolarHBondContact O-N 3.41Å
81	E	97.3	Very high	93.4	Very high	80 Å²	80	79.3 Å²	79.3	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-66.4	-44.9	174.2	-69.5	169.5	179.5	0	0	111.1	F76 S77 R78 K79 M85	F76-E81 HydrophobicContact CB-CB 4.19Å; F76-E81 HydrophobicContact CD1-CB 4.2Å; S77-E81 PolarHBondContact N-OE2 3.42Å; S77-E81 PolarHBondContact OG-OE1 3.41Å; S77-E81 PolarHBondContact OG-OE2 3.3Å; R78-E81 HydrophobicContact CB-CB 4.49Å; R78-E81 HydrophobicContact CB-CG 4.08Å; R78-E81 PolarHBondContact N-OE2 2.94Å; R78-E81 PolarHBondContact O-N 2.88Å; K79-E81 VanDerWaalsContact C-N 3.26Å; K79-E81 PolarHBondContact O-N 2.8Å; E81-M85 WeakPolarHBondContact O-CB 3.36Å; E81-M85 PolarHBondContact O-N 3.34Å; E81-M85 VanDerWaalsContact O-N 3.14Å
82	C	98	Very high	93.2	Very high	0 Å²	0	82.2 Å²	82.2	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-62.8	-49.4	175.3	174.8	0	0	0	0	111.1	W52 C61 F76 R78 K79 K84 M85 C86	W52-C82 HydrophobicContact CB-CB 4.1Å; C61-C82 HydrophobicContact CB-CB 3.79Å; C61-C82 WeakPolarHBondContact CB-SG 3.47Å; C61-C82 WeakPolarHBondContact SG-CB 3.02Å; C61-C82 CovalentContact SG-SG 2.04Å; C61-C82 PolarHBondContact SG-SG 3.01Å; F76-C82 HydrophobicContact CB-CB 3.96Å; F76-C82 HydrophobicContact CD2-CB 3.44Å; F76-C82 VanDerWaalsContact CD2-CB 3.44Å; F76-C82 HydrophobicContact CE2-CB 4.06Å; F76-C82 HydrophobicContact CG-CB 3.75Å; R78-C82 PolarHBondContact O-N 3.44Å; K79-C82 WeakPolarHBondContact O-CB 3.33Å; K79-C82 PolarHBondContact O-N 3.01Å; K79-C82 VanDerWaalsContact O-N 3.12Å; C82-K84 PolarHBondContact O-N 2.74Å; C82-M85 PolarHBondContact O-N 3.2Å; C82-C86 WeakPolarHBondContact O-CB 3.02Å; C82-C86 PolarHBondContact O-N 2.77Å
83	E	96.3	Very high	93	Very high	49 Å²	49	85.1 Å²	85.1	23%	0.229	42%	0.421	C	S	.	.	H	α-helix	trans	-64.3	-44.1	-177.7	-70	-178.2	148.7	0	0	111.1	C61 K79 M85 C86 K87	C61-E83 HydrophobicContact CB-CG 4.04Å; C61-E83 PolarHBondContact SG-N 2.9Å; K79-E83 WeakPolarHBondContact CE-OE1 3.43Å; K79-E83 HydrophobicContact CG-CG 4.23Å; K79-E83 IonicContact NZ-OE1 2.78Å; K79-E83 PolarHBondContact NZ-OE1 3.17Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 3.42Å; E83-M85 PolarHBondContact O-N 2.8Å; E83-C86 PolarHBondContact O-N 3.02Å; E83-K87 HydrophobicContact CB-CD 4.17Å; E83-K87 HydrophobicContact CB-CG 4.45Å; E83-K87 HydrophobicContact CG-CD 3.91Å; E83-K87 WeakPolarHBondContact O-CA 3.13Å; E83-K87 VanDerWaalsContact O-CB 3.32Å; E83-K87 WeakPolarHBondContact O-CB 3.31Å; E83-K87 PolarHBondContact O-N 3.46Å; E83-K87 IonicContact OE1-NZ 3.07Å; E83-K87 PolarHBondContact OE1-NZ 2.02Å; E83-K87 VanDerWaalsContact OE1-NZ 3.14Å
84	K	94.6	Very high	92.7	Very high	190 Å²	190	85.6 Å²	85.6	83%	0.826	41%	0.414	S	S	*	.	H	α-helix	trans	-60.4	-34	176	-178	179.5	177.9	-176.6	0	112.7	E80 C82	E80-K84 WeakPolarHBondContact O-CB 3.24Å; E80-K84 PolarHBondContact O-N 3.41Å; C82-K84 PolarHBondContact O-N 2.74Å
85	M	93.8	Very high	92.4	Very high	118 Å²	118	91.3 Å²	91.3	58%	0.581	44%	0.442	S	S	*	.	H	α-helix	trans	-79.2	-38.8	-180	-174.1	61.3	71.2	0	0	112.1	F76 E81 C82 E83	F76-M85 HydrophobicContact CE1-CB 3.92Å; F76-M85 HydrophobicContact CE1-CG 4.01Å; F76-M85 HydrophobicContact CZ-CB 3.95Å; F76-M85 HydrophobicContact CZ-CG 3.87Å; E81-M85 WeakPolarHBondContact O-CB 3.36Å; E81-M85 PolarHBondContact O-N 3.34Å; E81-M85 VanDerWaalsContact O-N 3.14Å; C82-M85 PolarHBondContact O-N 3.2Å; E83-M85 PolarHBondContact O-N 2.8Å
86	C	94.9	Very high	91.9	Very high	7 Å²	7	95.9 Å²	95.9	5%	0.047	46%	0.463	C	S	.	.	H	α-helix	trans	-117.8	-21.4	-162.1	-63.6	0	0	0	0	115.7	C36 F54 C82 E83 F88	C36-C86 HydrophobicContact CB-CB 3.56Å; C36-C86 WeakPolarHBondContact CB-SG 3.03Å; C36-C86 WeakPolarHBondContact SG-CA 2.93Å; C36-C86 WeakPolarHBondContact SG-CB 3.19Å; C36-C86 CovalentContact SG-SG 2.02Å; C36-C86 PolarHBondContact SG-SG 3.16Å; F54-C86 HydrophobicContact CB-CB 3.68Å; F54-C86 HydrophobicContact CD1-CB 4.06Å; F54-C86 HydrophobicContact CD2-CB 3.38Å; F54-C86 HydrophobicContact CE2-CB 3.95Å; F54-C86 HydrophobicContact CG-CB 3.42Å; F54-C86 VanDerWaalsContact CG-CB 3.42Å; F54-C86 HydrophobicContact CZ-CB 4.48Å; C82-C86 WeakPolarHBondContact O-CB 3.02Å; C82-C86 PolarHBondContact O-N 2.77Å; E83-C86 PolarHBondContact O-N 3.02Å; C86-F88 PolarHBondContact O-N 3.32Å
87	K	91.6	Very high	91.4	Very high	57 Å²	57	101.3 Å²	101.3	25%	0.248	49%	0.49	C	S	.	.	S	Bend	trans	-89.1	102.8	169.9	-65.4	-172.2	174.2	178.7	0	107.4	F54 G59 E60 E83 T89	F54-K87 HydrophobicContact CE2-CG 4.05Å; G59-K87 WeakPolarHBondContact O-CE 3.39Å; E60-K87 IonicContact OE1-NZ 2.68Å; E60-K87 PolarHBondContact OE1-NZ 3.21Å; E60-K87 IonicContact OE2-NZ 3.14Å; E60-K87 PolarHBondContact OE2-NZ 2.82Å; E83-K87 HydrophobicContact CB-CD 4.17Å; E83-K87 HydrophobicContact CB-CG 4.45Å; E83-K87 HydrophobicContact CG-CD 3.91Å; E83-K87 WeakPolarHBondContact O-CA 3.13Å; E83-K87 VanDerWaalsContact O-CB 3.32Å; E83-K87 WeakPolarHBondContact O-CB 3.31Å; E83-K87 PolarHBondContact O-N 3.46Å; E83-K87 IonicContact OE1-NZ 3.07Å; E83-K87 PolarHBondContact OE1-NZ 2.02Å; E83-K87 VanDerWaalsContact OE1-NZ 3.14Å; K87-T89 PolarHBondContact O-N 2.99Å; K87-T89 VanDerWaalsContact O-N 3.16Å
88	F	77	Confident	90.8	Very high	189 Å²	189	103.8 Å²	103.8	83%	0.829	49%	0.489	S	S	*	.			trans	-52.6	122.4	163.3	-62.5	-79.1	0	0	0	107.6	C86	C86-F88 PolarHBondContact O-N 3.32Å
89	T	52.9	Low	90.1	Very high	207 Å²	207	98.8 Å²	98.8	100%	1.27	48%	0.479	S	S	*	.			trans	-84.8	0	169.3	-48.3	0	0	0	0	109.1	K87	K87-T89 PolarHBondContact O-N 2.99Å; K87-T89 VanDerWaalsContact O-N 3.16Å

Retrieved 89 of 89 residues in 25.4 ms (Link to these results)

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