A0A096NAT0_PAPAN Loading...

Serine peptidase inhibitor Kazal type 1

In the male reproductive tract, binds to sperm heads where it modulates sperm capacitance by inhibiting calcium uptake and nitrogen oxide (NO) production. Serine protease inhibitor which exhibits anti-trypsin activity. In the pancreas, protects against trypsin-catalyzed premature activation of zymogens.

AlphaFold DB (A0A2K5ZTE8), UniProt , Accession A0A096NAT0, Species PAPAN (Papio anubis, Olive baboon), Gene SPINK1, Length 79 aa.

						>A0A096NAT0_PAPAN|A0A096NAT0|SPINK1
MKVTGIFLLSALALLSLSGNTGADSLGREAKCYNELTGCTKIYDPVCGTDGKTYPNECVLCFENQKRQTSVLIRKSGPC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	54.1	Low	59.2	Low	222 Å²	222	114.3 Å²	114.3	100%	1.094	62%	0.619	S	S	*	*				0	3	0	-52.4	-170.1	-173.2	0	0	114.6	T4	M1-T4 PolarHBondContact O-OG1 3.49Å
2	K	52.7	Low	59.6	Low	187 Å²	187	114.3 Å²	114.3	81%	0.813	62%	0.618	S	S	*	*			trans	-94.7	-13.4	177	-77	163.2	167.8	171.5	0	114.4
3	V	57.1	Low	60	Low	96 Å²	96	109.8 Å²	109.8	58%	0.582	61%	0.605	S	S	*	*	H	α-helix	trans	-78.4	-32.8	-175.5	-157	0	0	0	0	111.5	G5 I6 F7	V3-G5 VanDerWaalsContact C-N 3.3Å; V3-G5 PolarHBondContact O-N 3.38Å; V3-I6 PolarHBondContact O-N 3.19Å; V3-F7 HydrophobicContact CG1-CD2 4.22Å; V3-F7 HydrophobicContact CG1-CE2 3.98Å; V3-F7 VanDerWaalsContact O-CD2 3.32Å; V3-F7 WeakPolarHBondContact O-CD2 3.46Å; V3-F7 PolarHBondContact O-N 3.43Å
4	T	60.2	Low	60.2	Low	96 Å²	96	111.5 Å²	111.5	59%	0.589	61%	0.612	S	S	*	*	H	α-helix	trans	-64.1	-32.5	177	48.9	0	0	0	0	113	M1 L8	M1-T4 PolarHBondContact O-OG1 3.49Å; T4-L8 WeakPolarHBondContact O-CG 3.32Å; T4-L8 PolarHBondContact O-N 3.48Å
5	G	57.8	Low	60.3	Low	35 Å²	35	113 Å²	113	36%	0.361	62%	0.618	S	S	.	*	H	α-helix	trans	-69.6	-33.8	176.4	0	0	0	0	0	113.5	V3 L8 L9	V3-G5 VanDerWaalsContact C-N 3.3Å; V3-G5 PolarHBondContact O-N 3.38Å; G5-L8 PolarHBondContact O-N 3.34Å; G5-L9 WeakPolarHBondContact O-CG 3.38Å; G5-L9 PolarHBondContact O-N 3.49Å
6	I	59.8	Low	60.5	Low	118 Å²	118	111.8 Å²	111.8	61%	0.605	62%	0.621	S	S	*	*	H	α-helix	trans	-70.6	-40.8	177.8	-60.3	169.7	0	0	0	110.3	V3 L8 L9 S10	V3-I6 PolarHBondContact O-N 3.19Å; I6-L8 PolarHBondContact O-N 2.74Å; I6-L9 PolarHBondContact O-N 3.39Å; I6-S10 PolarHBondContact O-N 3.06Å; I6-S10 PolarHBondContact O-OG 3.47Å
7	F	60.5	Low	60.5	Low	148 Å²	148	113.7 Å²	113.7	65%	0.649	63%	0.628	S	S	*	*	H	α-helix	trans	-62.3	-40	175.4	-85.7	-77.9	0	0	0	112.6	V3 S10 A11	V3-F7 HydrophobicContact CG1-CD2 4.22Å; V3-F7 HydrophobicContact CG1-CE2 3.98Å; V3-F7 VanDerWaalsContact O-CD2 3.32Å; V3-F7 WeakPolarHBondContact O-CD2 3.46Å; V3-F7 PolarHBondContact O-N 3.43Å; F7-S10 WeakPolarHBondContact CA-OG 3.43Å; F7-S10 PolarHBondContact O-N 3.31Å; F7-S10 PolarHBondContact O-OG 3.49Å; F7-A11 PolarHBondContact O-N 3.25Å
8	L	60.4	Low	60.7	Low	120 Å²	120	113.5 Å²	113.5	63%	0.628	64%	0.636	S	S	*	*	H	α-helix	trans	-65.5	-39.4	176.4	-73.5	168.7	0	0	0	112.5	T4 G5 I6 A11 L12	T4-L8 WeakPolarHBondContact O-CG 3.32Å; T4-L8 PolarHBondContact O-N 3.48Å; G5-L8 PolarHBondContact O-N 3.34Å; I6-L8 PolarHBondContact O-N 2.74Å; L8-A11 PolarHBondContact O-N 3.22Å; L8-L12 PolarHBondContact O-N 2.99Å
9	L	60.6	Low	60.7	Low	123 Å²	123	110.6 Å²	110.6	64%	0.644	64%	0.635	S	S	*	*	H	α-helix	trans	-66.6	-37.1	176.7	-72.6	167.1	0	0	0	112.3	G5 I6 A11 L12 A13	G5-L9 WeakPolarHBondContact O-CG 3.38Å; G5-L9 PolarHBondContact O-N 3.49Å; I6-L9 PolarHBondContact O-N 3.39Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 3.43Å; L9-L12 PolarHBondContact O-N 2.78Å; L9-A13 PolarHBondContact O-N 3.49Å
10	S	62.9	Low	60.8	Low	61 Å²	61	112.9 Å²	112.9	43%	0.427	65%	0.645	S	S	.	*	H	α-helix	trans	-67.3	-32.6	175.6	59.8	0	0	0	0	113.4	I6 F7 A13 L14	I6-S10 PolarHBondContact O-N 3.06Å; I6-S10 PolarHBondContact O-OG 3.47Å; F7-S10 WeakPolarHBondContact CA-OG 3.43Å; F7-S10 PolarHBondContact O-N 3.31Å; F7-S10 PolarHBondContact O-OG 3.49Å; S10-A13 PolarHBondContact O-N 3.18Å; S10-L14 PolarHBondContact O-N 3.3Å
11	A	65.2	Low	60.6	Low	51 Å²	51	113.6 Å²	113.6	42%	0.421	65%	0.652	S	S	.	*	H	α-helix	trans	-70.4	-36.2	177.7	0	0	0	0	0	112.6	F7 L8 L9 A13 L14	F7-A11 PolarHBondContact O-N 3.25Å; L8-A11 PolarHBondContact O-N 3.22Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 3.43Å; A11-A13 VanDerWaalsContact C-N 3.34Å; A11-L14 PolarHBondContact O-N 3.44Å
12	L	63.7	Low	60.9	Low	115 Å²	115	106 Å²	106	60%	0.602	63%	0.63	S	S	*	*	H	α-helix	trans	-66.4	-33.9	175.9	-83	150.4	0	0	0	112.8	L8 L9 L14 L15	L8-L12 PolarHBondContact O-N 2.99Å; L9-L12 PolarHBondContact O-N 2.78Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.48Å
13	A	64.6	Low	60.9	Low	55 Å²	55	101.8 Å²	101.8	46%	0.455	63%	0.63	S	S	.	*	H	α-helix	trans	-71.3	-23.2	176.7	0	0	0	0	0	113.6	L9 S10 A11 S16 L17	L9-A13 PolarHBondContact O-N 3.49Å; S10-A13 PolarHBondContact O-N 3.18Å; A11-A13 VanDerWaalsContact C-N 3.34Å; A13-S16 PolarHBondContact O-OG 3.38Å; A13-L17 WeakPolarHBondContact O-CD1 3.4Å
14	L	63.3	Low	60.7	Low	134 Å²	134	103.4 Å²	103.4	70%	0.702	64%	0.635	S	S	*	*	H	α-helix	trans	-78.7	-28.4	175.8	-71.2	167.5	0	0	0	112.4	S10 A11 L12 S16 L17	S10-L14 PolarHBondContact O-N 3.3Å; A11-L14 PolarHBondContact O-N 3.44Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.47Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.32Å; L14-L17 PolarHBondContact O-N 3.47Å
15	L	62.1	Low	61	Low	134 Å²	134	104.9 Å²	104.9	70%	0.702	65%	0.65	S	S	*	*	H	α-helix	trans	-72.4	-22.5	178.8	-72.3	166.6	0	0	0	113.1	L12	L12-L15 PolarHBondContact O-N 3.48Å
16	S	62.5	Low	61.8	Low	94 Å²	94	107.5 Å²	107.5	66%	0.657	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-8.4	178.6	50.9	0	0	0	0	114.3	A13 L14 S18	A13-S16 PolarHBondContact O-OG 3.38Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.32Å; S16-S18 VanDerWaalsContact C-N 3.32Å
17	L	60.5	Low	63.2	Low	144 Å²	144	104 Å²	104	75%	0.754	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	3.3	173.7	-92	90.3	0	0	0	114.1	A13 L14 G19	A13-L17 WeakPolarHBondContact O-CD1 3.4Å; L14-L17 PolarHBondContact O-N 3.47Å; L17-G19 PolarHBondContact O-N 3.29Å
18	S	63.8	Low	64.8	Low	110 Å²	110	101.5 Å²	101.5	77%	0.769	63%	0.634	S	S	*	*			trans	-74.7	64	168.1	-147.9	0	0	0	0	109.9	S16 N20	S16-S18 VanDerWaalsContact C-N 3.32Å; S18-N20 PolarHBondContact O-N 3.25Å; S18-N20 VanDerWaalsContact O-N 3.11Å
19	G	61.8	Low	66.5	Low	59 Å²	59	103 Å²	103	61%	0.608	64%	0.637	S	S	*	*			trans	-65.6	105.3	163.2	0	0	0	0	0	107	L17 T21	L17-G19 PolarHBondContact O-N 3.29Å; G19-T21 VanDerWaalsContact C-N 3.28Å; G19-T21 PolarHBondContact O-N 3.04Å
20	N	61.7	Low	68.1	Low	155 Å²	155	97.3 Å²	97.3	83%	0.829	61%	0.608	S	S	*	*			trans	-63.8	96.3	167.9	-160.7	67.9	0	0	0	106	S18 G22	S18-N20 PolarHBondContact O-N 3.25Å; S18-N20 VanDerWaalsContact O-N 3.11Å; N20-G22 VanDerWaalsContact C-N 3.34Å; N20-G22 PolarHBondContact O-N 3.48Å
21	T	58	Low	69.5	Low	129 Å²	129	101 Å²	101	79%	0.791	62%	0.617	S	S	*	*			trans	-57	104.4	173.5	49.3	0	0	0	0	106.2	G19 A23	G19-T21 VanDerWaalsContact C-N 3.28Å; G19-T21 PolarHBondContact O-N 3.04Å; T21-A23 PolarHBondContact O-N 3.39Å
22	G	58.8	Low	70.6	Confident	63 Å²	63	100.4 Å²	100.4	65%	0.649	61%	0.609	S	S	*	*			trans	-51.2	134.1	175.1	0	0	0	0	0	108.7	N20 D24	N20-G22 VanDerWaalsContact C-N 3.34Å; N20-G22 PolarHBondContact O-N 3.48Å; G22-D24 PolarHBondContact O-N 3.32Å
23	A	54.2	Low	71.5	Confident	97 Å²	97	101.4 Å²	101.4	80%	0.802	61%	0.606	S	S	*	*			trans	-38.4	121.7	-172.8	0	0	0	0	0	112.5	T21 S25	T21-A23 PolarHBondContact O-N 3.39Å; A23-S25 PolarHBondContact O-N 3.08Å
24	D	52.7	Low	71.8	Confident	131 Å²	131	105.8 Å²	105.8	70%	0.701	62%	0.621	S	S	*	*			trans	-43.1	123.4	166.8	-137.2	-14	0	0	0	108.8	G22 L26	G22-D24 PolarHBondContact O-N 3.32Å; D24-L26 HydrophobicContact CB-CB 4.15Å; D24-L26 PolarHBondContact O-N 3.06Å
25	S	66.1	Low	72.1	Confident	127 Å²	127	108.3 Å²	108.3	89%	0.888	63%	0.629	S	S	*	*			trans	-76.6	54.5	174.6	32.5	0	0	0	0	109.5	A23 G27	A23-S25 PolarHBondContact O-N 3.08Å; S25-G27 PolarHBondContact O-N 3.38Å
26	L	75.1	Confident	72.3	Confident	90 Å²	90	106.6 Å²	106.6	47%	0.471	62%	0.621	S	S	.	*			trans	-84.1	4.1	-170.6	-160.7	67.3	0	0	0	112.1	D24 T49 L72	D24-L26 HydrophobicContact CB-CB 4.15Å; D24-L26 PolarHBondContact O-N 3.06Å; L26-T49 HydrophobicContact CG-CG2 4.25Å; L26-T49 WeakPolarHBondContact O-CG2 2.98Å; L26-L72 HydrophobicContact CB-CD1 3.84Å; L26-L72 HydrophobicContact CD2-CD1 4.06Å; L26-L72 HydrophobicContact CG-CD1 3.98Å; L26-L72 WeakPolarHBondContact O-CB 3.45Å; L26-L72 WeakPolarHBondContact O-CD1 3.46Å
27	G	87.8	Confident	73.1	Confident	43 Å²	43	109.9 Å²	109.9	44%	0.443	64%	0.637	S	S	.	*			trans	109.4	-176.1	177.2	0	0	0	0	0	113.6	S25 I73	S25-G27 PolarHBondContact O-N 3.38Å; G27-I73 CarbonylContact C-O 3.49Å; G27-I73 WeakPolarHBondContact CA-O 3.38Å
28	R	95.2	Very high	74.2	Confident	96 Å²	96	104.6 Å²	104.6	36%	0.362	62%	0.617	S	S	.	*	B	Isolated β-bridge	trans	-99.5	140.7	-178.6	68.3	-177.8	-170.5	85.2	-10.4	111.2	E57 I73	R28-E57 IonicContact CZ-OE2 3.23Å; R28-E57 VanDerWaalsContact CZ-OE2 3.23Å; R28-E57 IonicContact NH1-OE1 3.04Å; R28-E57 PolarHBondContact NH1-OE1 2.78Å; R28-E57 IonicContact NH1-OE2 2.74Å; R28-E57 PolarHBondContact NH1-OE2 2.79Å; R28-E57 IonicContact NH2-OE2 2.81Å; R28-E57 PolarHBondContact NH2-OE2 3.47Å; R28-I73 HydrophobicContact CG-CB 3.61Å; R28-I73 HydrophobicContact CG-CD1 4.41Å; R28-I73 HydrophobicContact CG-CG2 3.96Å; R28-I73 PolarHBondContact N-O 2.93Å; R28-I73 VanDerWaalsContact NH1-CD1 3.33Å; R28-I73 WeakPolarHBondContact O-CB 3.38Å; R28-I73 PolarHBondContact O-N 3.49Å
29	E	95.4	Very high	75.4	Confident	151 Å²	151	101.3 Å²	101.3	71%	0.706	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-66.2	144.2	173.9	-168.6	177.3	178.1	0	0	111.1	L72	E29-L72 HydrophobicContact CB-CD2 4.24Å
30	A	94.6	Very high	76.7	Confident	4 Å²	4	102.3 Å²	102.3	3%	0.033	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-85.7	132.1	175.4	0	0	0	0	0	110.9	E57 L60 C61 I73	A30-E57 HydrophobicContact CB-CG 3.93Å; A30-L60 HydrophobicContact CB-CB 4.22Å; A30-L60 HydrophobicContact CB-CD2 3.52Å; A30-L60 HydrophobicContact CB-CG 4.36Å; A30-C61 HydrophobicContact CB-CB 3.89Å; A30-C61 PolarHBondContact O-SG 2.93Å; A30-I73 HydrophobicContact CB-CD1 3.84Å; A30-I73 HydrophobicContact CB-CG1 4.41Å
31	K	91.7	Very high	78.2	Confident	140 Å²	140	105.2 Å²	105.2	61%	0.609	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-89.4	128.1	-179.3	-64.6	-176.3	179	-178.4	0	112.2	E57	K31-E57 PolarHBondContact N-OE1 2.76Å
32	C	89	Confident	79.9	Confident	37 Å²	37	104.3 Å²	104.3	25%	0.25	58%	0.583	C	S	.	*	P	Polyproline II helix	trans	-88.5	137.8	167.1	-74.8	0	0	0	0	109	C61	C32-C61 WeakPolarHBondContact CA-SG 3.47Å; C32-C61 HydrophobicContact CB-CB 4.13Å; C32-C61 WeakPolarHBondContact CB-SG 3.43Å; C32-C61 PolarHBondContact N-SG 3.03Å; C32-C61 VanDerWaalsContact SG-C 3.56Å; C32-C61 WeakPolarHBondContact SG-CB 3.24Å; C32-C61 CovalentContact SG-SG 2.02Å; C32-C61 PolarHBondContact SG-SG 2.75Å
33	Y	82.9	Confident	81.7	Confident	137 Å²	137	109.1 Å²	109.1	54%	0.537	58%	0.582	S	S	.	*			trans	-98	98.1	171.6	-58.5	-78.4	0	0	0	108.6	E35 L36	Y33-E35 PolarHBondContact O-N 2.87Å; Y33-E35 VanDerWaalsContact O-N 3.16Å; Y33-L36 PolarHBondContact O-N 3.11Å
34	N	70.6	Confident	83.7	Confident	146 Å²	146	109.5 Å²	109.5	78%	0.781	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-15.5	-174.7	-76.1	-26.1	0	0	0	114.6	L36	N34-L36 VanDerWaalsContact C-N 3.3Å
35	E	69.8	Low	85.9	Confident	187 Å²	187	104 Å²	104	87%	0.874	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.5	177.9	-67.7	-64.7	148.6	0	0	113.4	Y33	Y33-E35 PolarHBondContact O-N 2.87Å; Y33-E35 VanDerWaalsContact O-N 3.16Å
36	L	66.8	Low	87.4	Confident	99 Å²	99	98.1 Å²	98.1	52%	0.518	50%	0.501	S	S	.	.	S	Bend	trans	-116.6	128.5	178.1	-76.6	126.2	0	0	0	110.6	Y33 N34 G38	Y33-L36 PolarHBondContact O-N 3.11Å; N34-L36 VanDerWaalsContact C-N 3.3Å; L36-G38 WeakPolarHBondContact CB-O 3.46Å; L36-G38 PolarHBondContact O-N 3.01Å
37	T	77.9	Confident	88.5	Confident	163 Å²	163	93.8 Å²	93.8	100%	1	48%	0.478	S	S	*	.	S	Bend	trans	-69.2	12.2	174.1	40.4	0	0	0	0	113.9
38	G	83.9	Confident	89	Confident	33 Å²	33	91.8 Å²	91.8	34%	0.34	46%	0.457	S	S	.	.	S	Bend	trans	179.8	178.1	177.5	0	0	0	0	0	113.6	L36	L36-G38 WeakPolarHBondContact CB-O 3.46Å; L36-G38 PolarHBondContact O-N 3.01Å
39	C	89.9	Confident	89.1	Confident	41 Å²	41	89.6 Å²	89.6	28%	0.277	46%	0.455	S	S	.	.			trans	-90.7	147.9	178	-62.6	0	0	0	0	112.4	C58 V59 F62	C39-C58 WeakPolarHBondContact CA-SG 3.2Å; C39-C58 HydrophobicContact CB-CB 3.71Å; C39-C58 WeakPolarHBondContact CB-SG 3.13Å; C39-C58 WeakPolarHBondContact SG-CB 3.47Å; C39-C58 PolarHBondContact SG-O 2.82Å; C39-C58 CovalentContact SG-SG 2.04Å; C39-C58 PolarHBondContact SG-SG 2.78Å; C39-V59 HydrophobicContact CB-CG2 4.06Å; C39-V59 PolarHBondContact SG-N 2.91Å; C39-V59 VanDerWaalsContact SG-N 3.42Å; C39-F62 WeakPolarHBondContact SG-CD2 3.31Å
40	T	89.3	Confident	89.2	Confident	79 Å²	79	86.3 Å²	86.3	49%	0.485	44%	0.442	S	S	.	.			trans	-61.7	153.4	167.5	64.4	0	0	0	0	110	I42 N56	T40-I42 PolarHBondContact O-N 2.92Å; T40-N56 PolarHBondContact O-ND2 3.45Å
41	K	91.5	Very high	89.3	Confident	216 Å²	216	88 Å²	88	94%	0.939	46%	0.46	S	S	*	.			trans	-87.3	17.6	176.2	-62.7	-176	-179.4	179.1	0	112.9
42	I	94.3	Very high	89.6	Confident	111 Å²	111	85.1 Å²	85.1	57%	0.569	45%	0.448	S	S	*	.			trans	-70.1	132.7	176.9	-63.4	172.5	0	0	0	108.1	T40 D44 N56	T40-I42 PolarHBondContact O-N 2.92Å; I42-D44 HydrophobicContact CG2-CB 4.33Å; I42-D44 PolarHBondContact O-N 3Å; I42-N56 PolarHBondContact O-ND2 2.76Å
43	Y	96.6	Very high	90.1	Very high	164 Å²	164	85.7 Å²	85.7	64%	0.643	45%	0.45	S	S	*	.			trans	-89.7	101.7	173	-171.5	-105.9	0	0	0	109.1	P45 P55	Y43-P45 HydrophobicContact CD1-CG 4.38Å; Y43-P45 HydrophobicContact CE1-CB 4.41Å; Y43-P45 HydrophobicContact CE1-CG 3.75Å; Y43-P45 HydrophobicContact CE2-CB 4.33Å; Y43-P55 HydrophobicContact CD2-CB 4.31Å
44	D	97.3	Very high	90.8	Very high	105 Å²	105	79.3 Å²	79.3	56%	0.561	43%	0.425	S	S	*	.			trans	-137.8	74.6	177.3	-178.2	26.5	0	0	0	108.1	I42 P55 N56	I42-D44 HydrophobicContact CG2-CB 4.33Å; I42-D44 PolarHBondContact O-N 3Å; D44-P55 CarbonylContact C-O 3.28Å; D44-P55 VanDerWaalsContact C-O 3.28Å; D44-P55 PolarHBondContact N-O 3.36Å; D44-N56 VanDerWaalsContact O-CA 3.3Å; D44-N56 WeakPolarHBondContact O-CA 3.27Å
45	P	98.3	Very high	92.1	Very high	16 Å²	16	75.3 Å²	75.3	10%	0.104	41%	0.407	C	S	.	.			trans	-66.8	150	-161.2	25.3	-33.9	0	0	0	112.7	Y43 T53 Y54 G77	Y43-P45 HydrophobicContact CD1-CG 4.38Å; Y43-P45 HydrophobicContact CE1-CB 4.41Å; Y43-P45 HydrophobicContact CE1-CG 3.75Å; Y43-P45 HydrophobicContact CE2-CB 4.33Å; P45-T53 HydrophobicContact CB-CG2 3.98Å; P45-Y54 VanDerWaalsContact CA-O 3.22Å; P45-Y54 WeakPolarHBondContact CA-O 3.27Å; P45-G77 CarbonylContact O-C 3.53Å; P45-G77 WeakPolarHBondContact O-CA 3.07Å; P45-G77 PolarHBondContact O-N 2.74Å
46	V	98.3	Very high	93.3	Very high	2 Å²	2	67 Å²	67	1%	0.012	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147	172.9	-63.1	0	0	0	0	110.6	T53 Y54 L60 I73 G77	V46-T53 WeakPolarHBondContact O-CA 3.33Å; V46-Y54 PolarHBondContact N-O 3.48Å; V46-Y54 PolarHBondContact O-N 2.91Å; V46-L60 HydrophobicContact CG2-CB 4.46Å; V46-L60 HydrophobicContact CG2-CD1 3.92Å; V46-I73 HydrophobicContact CB-CD1 4.32Å; V46-I73 HydrophobicContact CB-CG1 4.17Å; V46-I73 HydrophobicContact CB-CG2 3.95Å; V46-I73 HydrophobicContact CG1-CD1 4.28Å; V46-I73 HydrophobicContact CG1-CG2 4.24Å; V46-I73 HydrophobicContact CG2-CD1 4.1Å; V46-I73 HydrophobicContact CG2-CG1 4Å; V46-G77 CarbonylContact C-O 3.17Å; V46-G77 VanDerWaalsContact CA-O 3.29Å; V46-G77 WeakPolarHBondContact CA-O 3.03Å
47	C	98.4	Very high	94.7	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.7	176	179.1	0	0	0	0	110	I73 R74 K75 G77 C79	C47-I73 CarbonylContact O-C 3.59Å; C47-R74 WeakPolarHBondContact O-CB 3.46Å; C47-R74 PolarHBondContact O-N 2.81Å; C47-R74 PolarHBondContact SG-NH2 3.06Å; C47-K75 HydrophobicContact CB-CD 4.39Å; C47-K75 HydrophobicContact CB-CG 3.53Å; C47-K75 PolarHBondContact N-O 3.18Å; C47-K75 PolarHBondContact O-N 3.38Å; C47-G77 PolarHBondContact N-O 3.04Å; C47-C79 WeakPolarHBondContact CA-SG 3.5Å; C47-C79 HydrophobicContact CB-CB 3.96Å; C47-C79 WeakPolarHBondContact CB-SG 3.08Å; C47-C79 WeakPolarHBondContact SG-CA 3.01Å; C47-C79 WeakPolarHBondContact SG-CB 3.34Å; C47-C79 CovalentContact SG-SG 2.04Å; C47-C79 PolarHBondContact SG-SG 2.83Å
48	G	97.8	Very high	95.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	161	175.5	0	0	0	0	0	113.2	D50 G51 K52 L72	G48-D50 WeakPolarHBondContact CA-OD1 3.36Å; G48-D50 PolarHBondContact O-N 2.88Å; G48-G51 PolarHBondContact O-N 3.02Å; G48-G51 VanDerWaalsContact O-N 3.08Å; G48-K52 PolarHBondContact N-O 3.34Å; G48-L72 CarbonylContact C-O 3.4Å; G48-L72 VanDerWaalsContact CA-O 3.26Å; G48-L72 WeakPolarHBondContact CA-O 3.06Å
49	T	97.3	Very high	96.2	Very high	50 Å²	50	57 Å²	57	31%	0.307	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.5	169.5	46.1	0	0	0	0	113.2	L26 G51 L72 R74	L26-T49 HydrophobicContact CG-CG2 4.25Å; L26-T49 WeakPolarHBondContact O-CG2 2.98Å; T49-G51 PolarHBondContact O-N 2.89Å; T49-L72 HydrophobicContact CG2-CB 3.77Å; T49-L72 PolarHBondContact N-O 2.99Å; T49-L72 PolarHBondContact OG1-N 3.42Å; T49-L72 PolarHBondContact OG1-O 3.43Å; T49-R74 HydrophobicContact CG2-CB 4.36Å
50	D	96.9	Very high	96.5	Very high	82 Å²	82	55.1 Å²	55.1	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.6	171.1	70.8	-21.3	0	0	0	113.1	G48 K52 Y54 V71	G48-D50 WeakPolarHBondContact CA-OD1 3.36Å; G48-D50 PolarHBondContact O-N 2.88Å; D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 2.95Å; D50-K52 WeakPolarHBondContact OD1-CB 3.49Å; D50-K52 PolarHBondContact OD1-N 2.04Å; D50-K52 WeakPolarHBondContact OD2-CB 3.33Å; D50-Y54 PolarHBondContact OD2-OH 2.83Å; D50-V71 HydrophobicContact CB-CG1 4.12Å; D50-V71 HydrophobicContact CB-CG2 4.06Å; D50-V71 WeakPolarHBondContact OD1-CG1 3Å
51	G	97.1	Very high	96.8	Very high	41 Å²	41	52.1 Å²	52.1	42%	0.423	27%	0.272	S	S	.	.	S	Bend	trans	78.9	8.3	-179.6	0	0	0	0	0	114.3	G48 T49 C79	G48-G51 PolarHBondContact O-N 3.02Å; G48-G51 VanDerWaalsContact O-N 3.08Å; T49-G51 PolarHBondContact O-N 2.89Å; G51-C79 PolarHBondContact O-SG 2.9Å
52	K	98.2	Very high	97	Very high	79 Å²	79	45.2 Å²	45.2	34%	0.343	24%	0.242	S	C	.	.			trans	-93.4	140.5	177.4	-173.8	-179.9	165.8	-165.2	0	111.2	G48 D50 Y54 E63 C79	G48-K52 PolarHBondContact N-O 3.34Å; D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 2.95Å; D50-K52 WeakPolarHBondContact OD1-CB 3.49Å; D50-K52 PolarHBondContact OD1-N 2.04Å; D50-K52 WeakPolarHBondContact OD2-CB 3.33Å; K52-Y54 HydrophobicContact CB-CE2 3.88Å; K52-Y54 HydrophobicContact CD-CE1 4.38Å; K52-Y54 HydrophobicContact CD-CE2 4.28Å; K52-Y54 HydrophobicContact CG-CE2 4.17Å; K52-Y54 WeakPolarHBondContact O-CD2 3.47Å; K52-E63 VanDerWaalsContact NZ-CD 3.27Å; K52-E63 IonicContact NZ-OE1 2.92Å; K52-E63 PolarHBondContact NZ-OE1 3.27Å; K52-E63 IonicContact NZ-OE2 2.78Å; K52-E63 PolarHBondContact NZ-OE2 3.25Å; K52-C79 VanDerWaalsContact C-SG 3.54Å; K52-C79 PolarHBondContact O-SG 2.96Å; K52-C79 VanDerWaalsContact O-SG 3.41Å
53	T	98.4	Very high	97.1	Very high	48 Å²	48	42 Å²	42	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.3	168.8	-60.8	0	0	0	0	110	P45 V46 P78 C79	P45-T53 HydrophobicContact CB-CG2 3.98Å; V46-T53 WeakPolarHBondContact O-CA 3.33Å; T53-P78 HydrophobicContact CG2-CB 3.93Å; T53-C79 PolarHBondContact OG1-N 3.16Å
54	Y	97.7	Very high	97	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.1	173.6	-65.6	-100.1	0	0	0	109.7	P45 V46 D50 K52 N56 V59 L60 E63 V71	P45-Y54 VanDerWaalsContact CA-O 3.22Å; P45-Y54 WeakPolarHBondContact CA-O 3.27Å; V46-Y54 PolarHBondContact N-O 3.48Å; V46-Y54 PolarHBondContact O-N 2.91Å; D50-Y54 PolarHBondContact OD2-OH 2.83Å; K52-Y54 HydrophobicContact CB-CE2 3.88Å; K52-Y54 HydrophobicContact CD-CE1 4.38Å; K52-Y54 HydrophobicContact CD-CE2 4.28Å; K52-Y54 HydrophobicContact CG-CE2 4.17Å; K52-Y54 WeakPolarHBondContact O-CD2 3.47Å; Y54-N56 PolarHBondContact O-N 3.41Å; Y54-V59 HydrophobicContact CD1-CG1 4.45Å; Y54-L60 VanDerWaalsContact CD1-CA 3.48Å; Y54-L60 HydrophobicContact CD1-CB 3.73Å; Y54-L60 HydrophobicContact CD1-CD1 4.45Å; Y54-L60 HydrophobicContact CD1-CG 3.92Å; Y54-L60 HydrophobicContact CD2-CB 4.22Å; Y54-L60 HydrophobicContact CD2-CD1 3.47Å; Y54-L60 VanDerWaalsContact CD2-CD1 3.47Å; Y54-L60 HydrophobicContact CD2-CG 3.83Å; Y54-L60 HydrophobicContact CE1-CB 4.21Å; Y54-L60 HydrophobicContact CE1-CG 3.97Å; Y54-L60 HydrophobicContact CE2-CD1 3.74Å; Y54-L60 HydrophobicContact CE2-CG 3.9Å; Y54-L60 HydrophobicContact CG-CB 3.71Å; Y54-L60 HydrophobicContact CG-CD1 3.85Å; Y54-L60 HydrophobicContact CG-CG 3.82Å; Y54-E63 HydrophobicContact CE1-CB 3.97Å; Y54-E63 HydrophobicContact CE1-CG 4.13Å; Y54-E63 VanDerWaalsContact CE1-OE2 3.31Å; Y54-E63 WeakPolarHBondContact CE1-OE2 3.26Å; Y54-V71 HydrophobicContact CE2-CG1 4.27Å
55	P	97.8	Very high	96.9	Very high	61 Å²	61	36.2 Å²	36.2	40%	0.396	20%	0.2	S	C	.	.	S	Bend	trans	-59.7	-29.5	-176.7	-25.4	33.7	0	0	0	114.7	Y43 D44	Y43-P55 HydrophobicContact CD2-CB 4.31Å; D44-P55 CarbonylContact C-O 3.28Å; D44-P55 VanDerWaalsContact C-O 3.28Å; D44-P55 PolarHBondContact N-O 3.36Å
56	N	96.2	Very high	96.7	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.07	23%	0.234	C	C	.	.	S	Bend	trans	-160	168.2	169.3	58.3	56.5	0	0	0	110.8	T40 I42 D44 Y54 C58 V59 L60	T40-N56 PolarHBondContact O-ND2 3.45Å; I42-N56 PolarHBondContact O-ND2 2.76Å; D44-N56 VanDerWaalsContact O-CA 3.3Å; D44-N56 WeakPolarHBondContact O-CA 3.27Å; Y54-N56 PolarHBondContact O-N 3.41Å; N56-C58 VanDerWaalsContact C-N 3.31Å; N56-C58 PolarHBondContact O-N 2.86Å; N56-C58 WeakPolarHBondContact OD1-CB 3.45Å; N56-C58 PolarHBondContact OD1-N 3.37Å; N56-V59 PolarHBondContact O-N 2.87Å; N56-V59 WeakPolarHBondContact OD1-CG2 3.48Å; N56-V59 PolarHBondContact OD1-N 3.25Å; N56-L60 PolarHBondContact O-N 2.85Å
57	E	96.4	Very high	96.6	Very high	37 Å²	37	51.8 Å²	51.8	17%	0.173	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-39.3	179.4	172.5	166.2	179.5	0	0	113.4	R28 A30 K31 V59 L60 C61 I73	R28-E57 IonicContact CZ-OE2 3.23Å; R28-E57 VanDerWaalsContact CZ-OE2 3.23Å; R28-E57 IonicContact NH1-OE1 3.04Å; R28-E57 PolarHBondContact NH1-OE1 2.78Å; R28-E57 IonicContact NH1-OE2 2.74Å; R28-E57 PolarHBondContact NH1-OE2 2.79Å; R28-E57 IonicContact NH2-OE2 2.81Å; R28-E57 PolarHBondContact NH2-OE2 3.47Å; A30-E57 HydrophobicContact CB-CG 3.93Å; K31-E57 PolarHBondContact N-OE1 2.76Å; E57-V59 VanDerWaalsContact C-N 3.33Å; E57-V59 PolarHBondContact O-N 3.43Å; E57-L60 WeakPolarHBondContact O-CB 3.44Å; E57-L60 PolarHBondContact O-N 2.9Å; E57-C61 PolarHBondContact O-N 3.38Å; E57-I73 HydrophobicContact CB-CD1 4.2Å; E57-I73 HydrophobicContact CG-CD1 3.84Å
58	C	95.9	Very high	96.5	Very high	12 Å²	12	60.6 Å²	60.6	8%	0.081	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-45.1	177.8	177.5	0	0	0	0	110.9	C39 N56 L60 C61 F62	C39-C58 WeakPolarHBondContact CA-SG 3.2Å; C39-C58 HydrophobicContact CB-CB 3.71Å; C39-C58 WeakPolarHBondContact CB-SG 3.13Å; C39-C58 WeakPolarHBondContact SG-CB 3.47Å; C39-C58 PolarHBondContact SG-O 2.82Å; C39-C58 CovalentContact SG-SG 2.04Å; C39-C58 PolarHBondContact SG-SG 2.78Å; N56-C58 VanDerWaalsContact C-N 3.31Å; N56-C58 PolarHBondContact O-N 2.86Å; N56-C58 WeakPolarHBondContact OD1-CB 3.45Å; N56-C58 PolarHBondContact OD1-N 3.37Å; C58-L60 VanDerWaalsContact C-N 3.29Å; C58-L60 PolarHBondContact O-N 3.42Å; C58-C61 PolarHBondContact O-N 2.92Å; C58-C61 VanDerWaalsContact O-N 3.14Å; C58-F62 WeakPolarHBondContact O-CD2 2.86Å; C58-F62 PolarHBondContact O-N 3.22Å
59	V	96	Very high	96.4	Very high	37 Å²	37	63.5 Å²	63.5	22%	0.224	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-38.8	178.7	173.1	0	0	0	0	111.1	C39 Y54 N56 E57 E63	C39-V59 HydrophobicContact CB-CG2 4.06Å; C39-V59 PolarHBondContact SG-N 2.91Å; C39-V59 VanDerWaalsContact SG-N 3.42Å; Y54-V59 HydrophobicContact CD1-CG1 4.45Å; N56-V59 PolarHBondContact O-N 2.87Å; N56-V59 WeakPolarHBondContact OD1-CG2 3.48Å; N56-V59 PolarHBondContact OD1-N 3.25Å; E57-V59 VanDerWaalsContact C-N 3.33Å; E57-V59 PolarHBondContact O-N 3.43Å; V59-E63 WeakPolarHBondContact O-CB 3.37Å; V59-E63 WeakPolarHBondContact O-CG 3.25Å; V59-E63 PolarHBondContact O-N 2.91Å
60	L	97.4	Very high	96.3	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-49.7	173.3	-165.7	158.8	0	0	0	111.1	A30 V46 Y54 N56 E57 C58 F62 E63 N64 V71 I73	A30-L60 HydrophobicContact CB-CB 4.22Å; A30-L60 HydrophobicContact CB-CD2 3.52Å; A30-L60 HydrophobicContact CB-CG 4.36Å; V46-L60 HydrophobicContact CG2-CB 4.46Å; V46-L60 HydrophobicContact CG2-CD1 3.92Å; Y54-L60 VanDerWaalsContact CD1-CA 3.48Å; Y54-L60 HydrophobicContact CD1-CB 3.73Å; Y54-L60 HydrophobicContact CD1-CD1 4.45Å; Y54-L60 HydrophobicContact CD1-CG 3.92Å; Y54-L60 HydrophobicContact CD2-CB 4.22Å; Y54-L60 HydrophobicContact CD2-CD1 3.47Å; Y54-L60 VanDerWaalsContact CD2-CD1 3.47Å; Y54-L60 HydrophobicContact CD2-CG 3.83Å; Y54-L60 HydrophobicContact CE1-CB 4.21Å; Y54-L60 HydrophobicContact CE1-CG 3.97Å; Y54-L60 HydrophobicContact CE2-CD1 3.74Å; Y54-L60 HydrophobicContact CE2-CG 3.9Å; Y54-L60 HydrophobicContact CG-CB 3.71Å; Y54-L60 HydrophobicContact CG-CD1 3.85Å; Y54-L60 HydrophobicContact CG-CG 3.82Å; N56-L60 PolarHBondContact O-N 2.85Å; E57-L60 WeakPolarHBondContact O-CB 3.44Å; E57-L60 PolarHBondContact O-N 2.9Å; C58-L60 VanDerWaalsContact C-N 3.29Å; C58-L60 PolarHBondContact O-N 3.42Å; L60-F62 PolarHBondContact O-N 3.44Å; L60-E63 PolarHBondContact O-N 3.2Å; L60-N64 VanDerWaalsContact CD2-ND2 3.29Å; L60-N64 WeakPolarHBondContact CD2-ND2 3.31Å; L60-N64 PolarHBondContact O-N 3.25Å; L60-V71 HydrophobicContact CD1-CG1 4.41Å; L60-V71 HydrophobicContact CD2-CB 4.3Å; L60-V71 HydrophobicContact CD2-CG1 4.49Å; L60-V71 VanDerWaalsContact CD2-O 3.24Å; L60-V71 WeakPolarHBondContact CD2-O 3.29Å; L60-I73 HydrophobicContact CD1-CD1 4.44Å; L60-I73 HydrophobicContact CD1-CG1 3.63Å
61	C	95.9	Very high	96.3	Very high	17 Å²	17	62.6 Å²	62.6	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-43.4	-179.1	-170.2	0	0	0	0	112.5	A30 C32 E57 C58 N64 Q65	A30-C61 HydrophobicContact CB-CB 3.89Å; A30-C61 PolarHBondContact O-SG 2.93Å; C32-C61 WeakPolarHBondContact CA-SG 3.47Å; C32-C61 HydrophobicContact CB-CB 4.13Å; C32-C61 WeakPolarHBondContact CB-SG 3.43Å; C32-C61 PolarHBondContact N-SG 3.03Å; C32-C61 VanDerWaalsContact SG-C 3.56Å; C32-C61 WeakPolarHBondContact SG-CB 3.24Å; C32-C61 CovalentContact SG-SG 2.02Å; C32-C61 PolarHBondContact SG-SG 2.75Å; E57-C61 PolarHBondContact O-N 3.38Å; C58-C61 PolarHBondContact O-N 2.92Å; C58-C61 VanDerWaalsContact O-N 3.14Å; C61-N64 WeakPolarHBondContact O-CB 3.29Å; C61-N64 PolarHBondContact O-N 3.22Å; C61-Q65 PolarHBondContact O-N 3.39Å
62	F	94.8	Very high	96.3	Very high	70 Å²	70	62 Å²	62	31%	0.307	31%	0.309	S	S	.	.	H	α-helix	trans	-66.6	-37.6	175.6	-90.7	-90.4	0	0	0	112.8	C39 C58 L60 N64 Q65 K66	C39-F62 WeakPolarHBondContact SG-CD2 3.31Å; C58-F62 WeakPolarHBondContact O-CD2 2.86Å; C58-F62 PolarHBondContact O-N 3.22Å; L60-F62 PolarHBondContact O-N 3.44Å; F62-N64 VanDerWaalsContact C-N 3.32Å; F62-Q65 PolarHBondContact O-N 3.43Å; F62-K66 VanDerWaalsContact O-CB 3.25Å; F62-K66 WeakPolarHBondContact O-CB 3.19Å; F62-K66 PolarHBondContact O-N 2.98Å
63	E	95.8	Very high	96.3	Very high	45 Å²	45	58.3 Å²	58.3	21%	0.21	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-42.3	172.6	-82	-156.1	-165.4	0	0	111.1	K52 Y54 V59 L60 K66 R67	K52-E63 VanDerWaalsContact NZ-CD 3.27Å; K52-E63 IonicContact NZ-OE1 2.92Å; K52-E63 PolarHBondContact NZ-OE1 3.27Å; K52-E63 IonicContact NZ-OE2 2.78Å; K52-E63 PolarHBondContact NZ-OE2 3.25Å; Y54-E63 HydrophobicContact CE1-CB 3.97Å; Y54-E63 HydrophobicContact CE1-CG 4.13Å; Y54-E63 VanDerWaalsContact CE1-OE2 3.31Å; Y54-E63 WeakPolarHBondContact CE1-OE2 3.26Å; V59-E63 WeakPolarHBondContact O-CB 3.37Å; V59-E63 WeakPolarHBondContact O-CG 3.25Å; V59-E63 PolarHBondContact O-N 2.91Å; L60-E63 PolarHBondContact O-N 3.2Å; E63-K66 PolarHBondContact O-N 3.37Å; E63-R67 VanDerWaalsContact O-CB 3.27Å; E63-R67 WeakPolarHBondContact O-CB 3.22Å; E63-R67 VanDerWaalsContact O-CG 3.31Å; E63-R67 WeakPolarHBondContact O-CG 3.49Å; E63-R67 PolarHBondContact O-N 2.92Å; E63-R67 IonicContact OE2-CZ 3.93Å; E63-R67 IonicContact OE2-NE 3.54Å; E63-R67 IonicContact OE2-NH2 3.86Å
64	N	96.2	Very high	96.2	Very high	19 Å²	19	63.1 Å²	63.1	10%	0.102	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-49.7	174.3	-85.7	-13.9	0	0	0	112.1	L60 C61 F62 K66 R67 Q68 T69 V71	L60-N64 VanDerWaalsContact CD2-ND2 3.29Å; L60-N64 WeakPolarHBondContact CD2-ND2 3.31Å; L60-N64 PolarHBondContact O-N 3.25Å; C61-N64 WeakPolarHBondContact O-CB 3.29Å; C61-N64 PolarHBondContact O-N 3.22Å; F62-N64 VanDerWaalsContact C-N 3.32Å; N64-K66 VanDerWaalsContact C-N 3.35Å; N64-K66 PolarHBondContact O-N 3.21Å; N64-R67 PolarHBondContact O-N 3.42Å; N64-Q68 VanDerWaalsContact O-CA 3.27Å; N64-Q68 WeakPolarHBondContact O-CA 3.45Å; N64-Q68 PolarHBondContact O-N 3.42Å; N64-T69 WeakPolarHBondContact CA-O 3.33Å; N64-T69 WeakPolarHBondContact CB-O 3.45Å; N64-T69 PolarHBondContact O-N 2.92Å; N64-T69 PolarHBondContact OD1-O 3.14Å; N64-T69 PolarHBondContact OD1-OG1 3.24Å; N64-V71 PolarHBondContact ND2-N 3.12Å; N64-V71 PolarHBondContact ND2-O 3.3Å; N64-V71 WeakPolarHBondContact OD1-CB 3.41Å; N64-V71 PolarHBondContact OD1-N 2.02Å
65	Q	93.9	Very high	96.2	Very high	127 Å²	127	67.5 Å²	67.5	59%	0.593	33%	0.326	S	S	*	.	H	α-helix	trans	-61.3	-43.4	178.1	-171.8	-179.7	9.1	0	0	111.9	C61 F62	C61-Q65 PolarHBondContact O-N 3.39Å; F62-Q65 PolarHBondContact O-N 3.43Å
66	K	94.3	Very high	96.2	Very high	187 Å²	187	68.8 Å²	68.8	81%	0.813	34%	0.336	S	S	*	.	H	α-helix	trans	-68	-39.7	-179.1	-178.2	177.9	177.9	178.9	0	112.7	F62 E63 N64	F62-K66 VanDerWaalsContact O-CB 3.25Å; F62-K66 WeakPolarHBondContact O-CB 3.19Å; F62-K66 PolarHBondContact O-N 2.98Å; E63-K66 PolarHBondContact O-N 3.37Å; N64-K66 VanDerWaalsContact C-N 3.35Å; N64-K66 PolarHBondContact O-N 3.21Å
67	R	96.4	Very high	96.2	Very high	158 Å²	158	69.1 Å²	69.1	60%	0.596	34%	0.343	S	S	*	.	H	α-helix	trans	-93.2	-5.4	-176.4	-62.8	177	-178	-117.9	-0.7	113.1	E63 N64 T69	E63-R67 VanDerWaalsContact O-CB 3.27Å; E63-R67 WeakPolarHBondContact O-CB 3.22Å; E63-R67 VanDerWaalsContact O-CG 3.31Å; E63-R67 WeakPolarHBondContact O-CG 3.49Å; E63-R67 PolarHBondContact O-N 2.92Å; E63-R67 IonicContact OE2-CZ 3.93Å; E63-R67 IonicContact OE2-NE 3.54Å; E63-R67 IonicContact OE2-NH2 3.86Å; N64-R67 PolarHBondContact O-N 3.42Å; R67-T69 HydrophobicContact CB-CG2 3.91Å; R67-T69 PolarHBondContact O-N 3.43Å
68	Q	95.6	Very high	96.3	Very high	185 Å²	185	70.6 Å²	70.6	86%	0.864	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	41.6	-171.5	-56.2	178.8	-51.7	0	0	111.9	N64	N64-Q68 VanDerWaalsContact O-CA 3.27Å; N64-Q68 WeakPolarHBondContact O-CA 3.45Å; N64-Q68 PolarHBondContact O-N 3.42Å
69	T	95.7	Very high	96.3	Very high	62 Å²	62	73.6 Å²	73.6	38%	0.38	38%	0.375	S	S	.	.			trans	-108.7	158.4	177.3	55.6	0	0	0	0	111.2	N64 R67	N64-T69 WeakPolarHBondContact CA-O 3.33Å; N64-T69 WeakPolarHBondContact CB-O 3.45Å; N64-T69 PolarHBondContact O-N 2.92Å; N64-T69 PolarHBondContact OD1-O 3.14Å; N64-T69 PolarHBondContact OD1-OG1 3.24Å; R67-T69 HydrophobicContact CB-CG2 3.91Å; R67-T69 PolarHBondContact O-N 3.43Å
70	S	95.5	Very high	96.3	Very high	98 Å²	98	75.4 Å²	75.4	69%	0.685	38%	0.383	S	S	*	.			trans	-119.2	62.1	174.1	-167.1	0	0	0	0	110	L72	S70-L72 PolarHBondContact O-N 2.04Å
71	V	97.1	Very high	96.2	Very high	14 Å²	14	79.4 Å²	79.4	9%	0.085	40%	0.403	C	S	.	.			trans	-72.4	126	170.9	-179.2	0	0	0	0	107.6	D50 Y54 L60 N64	D50-V71 HydrophobicContact CB-CG1 4.12Å; D50-V71 HydrophobicContact CB-CG2 4.06Å; D50-V71 WeakPolarHBondContact OD1-CG1 3Å; Y54-V71 HydrophobicContact CE2-CG1 4.27Å; L60-V71 HydrophobicContact CD1-CG1 4.41Å; L60-V71 HydrophobicContact CD2-CB 4.3Å; L60-V71 HydrophobicContact CD2-CG1 4.49Å; L60-V71 VanDerWaalsContact CD2-O 3.24Å; L60-V71 WeakPolarHBondContact CD2-O 3.29Å; N64-V71 PolarHBondContact ND2-N 3.12Å; N64-V71 PolarHBondContact ND2-O 3.3Å; N64-V71 WeakPolarHBondContact OD1-CB 3.41Å; N64-V71 PolarHBondContact OD1-N 2.02Å
72	L	97.2	Very high	96.2	Very high	28 Å²	28	82.8 Å²	82.8	15%	0.147	42%	0.419	C	S	.	.			trans	-95.4	161.3	174.8	-55.1	176.6	0	0	0	109.2	L26 E29 G48 T49 S70 R74	L26-L72 HydrophobicContact CB-CD1 3.84Å; L26-L72 HydrophobicContact CD2-CD1 4.06Å; L26-L72 HydrophobicContact CG-CD1 3.98Å; L26-L72 WeakPolarHBondContact O-CB 3.45Å; L26-L72 WeakPolarHBondContact O-CD1 3.46Å; E29-L72 HydrophobicContact CB-CD2 4.24Å; G48-L72 CarbonylContact C-O 3.4Å; G48-L72 VanDerWaalsContact CA-O 3.26Å; G48-L72 WeakPolarHBondContact CA-O 3.06Å; T49-L72 HydrophobicContact CG2-CB 3.77Å; T49-L72 PolarHBondContact N-O 2.99Å; T49-L72 PolarHBondContact OG1-N 3.42Å; T49-L72 PolarHBondContact OG1-O 3.43Å; S70-L72 PolarHBondContact O-N 2.04Å; L72-R74 PolarHBondContact O-N 2.93Å
73	I	97.5	Very high	96.3	Very high	3 Å²	3	83.6 Å²	83.6	2%	0.015	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	113.5	173	-66	163.2	0	0	0	108.3	G27 R28 A30 V46 C47 E57 L60	G27-I73 CarbonylContact C-O 3.49Å; G27-I73 WeakPolarHBondContact CA-O 3.38Å; R28-I73 HydrophobicContact CG-CB 3.61Å; R28-I73 HydrophobicContact CG-CD1 4.41Å; R28-I73 HydrophobicContact CG-CG2 3.96Å; R28-I73 PolarHBondContact N-O 2.93Å; R28-I73 VanDerWaalsContact NH1-CD1 3.33Å; R28-I73 WeakPolarHBondContact O-CB 3.38Å; R28-I73 PolarHBondContact O-N 3.49Å; A30-I73 HydrophobicContact CB-CD1 3.84Å; A30-I73 HydrophobicContact CB-CG1 4.41Å; V46-I73 HydrophobicContact CB-CD1 4.32Å; V46-I73 HydrophobicContact CB-CG1 4.17Å; V46-I73 HydrophobicContact CB-CG2 3.95Å; V46-I73 HydrophobicContact CG1-CD1 4.28Å; V46-I73 HydrophobicContact CG1-CG2 4.24Å; V46-I73 HydrophobicContact CG2-CD1 4.1Å; V46-I73 HydrophobicContact CG2-CG1 4Å; C47-I73 CarbonylContact O-C 3.59Å; E57-I73 HydrophobicContact CB-CD1 4.2Å; E57-I73 HydrophobicContact CG-CD1 3.84Å; L60-I73 HydrophobicContact CD1-CD1 4.44Å; L60-I73 HydrophobicContact CD1-CG1 3.63Å
74	R	97.3	Very high	96.3	Very high	148 Å²	148	86 Å²	86	56%	0.558	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	-45	177	-176.6	171.9	65.6	170.1	1.9	112	C47 T49 L72	C47-R74 WeakPolarHBondContact O-CB 3.46Å; C47-R74 PolarHBondContact O-N 2.81Å; C47-R74 PolarHBondContact SG-NH2 3.06Å; T49-R74 HydrophobicContact CG2-CB 4.36Å; L72-R74 PolarHBondContact O-N 2.93Å
75	K	97.1	Very high	96.4	Very high	97 Å²	97	90.5 Å²	90.5	42%	0.422	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.5	175.5	63.1	170.6	179.5	170.1	0	110.9	C47 P78 C79	C47-K75 HydrophobicContact CB-CD 4.39Å; C47-K75 HydrophobicContact CB-CG 3.53Å; C47-K75 PolarHBondContact N-O 3.18Å; C47-K75 PolarHBondContact O-N 3.38Å; K75-P78 WeakPolarHBondContact CE-O 3.3Å; K75-P78 PolarHBondContact NZ-O 2.91Å; K75-C79 PolarHBondContact NZ-O 3.2Å
76	S	97.3	Very high	96.5	Very high	88 Å²	88	87.9 Å²	87.9	62%	0.615	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	154.7	164.5	-55.9	0	0	0	0	110.4
77	G	97.8	Very high	96.7	Very high	20 Å²	20	80.2 Å²	80.2	21%	0.206	42%	0.424	C	S	.	.	S	Bend	trans	83.7	177.2	-171.6	0	0	0	0	0	113.1	P45 V46 C47	P45-G77 CarbonylContact O-C 3.53Å; P45-G77 WeakPolarHBondContact O-CA 3.07Å; P45-G77 PolarHBondContact O-N 2.74Å; V46-G77 CarbonylContact C-O 3.17Å; V46-G77 VanDerWaalsContact CA-O 3.29Å; V46-G77 WeakPolarHBondContact CA-O 3.03Å; C47-G77 PolarHBondContact N-O 3.04Å
78	P	98.1	Very high	96.7	Very high	68 Å²	68	73.8 Å²	73.8	44%	0.442	41%	0.41	S	S	.	.			trans	-63	151.8	173.5	28	-34	0	0	0	111.5	T53 K75	T53-P78 HydrophobicContact CG2-CB 3.93Å; K75-P78 WeakPolarHBondContact CE-O 3.3Å; K75-P78 PolarHBondContact NZ-O 2.91Å
79	C	94.8	Very high	96.8	Very high	74 Å²	74	63.6 Å²	63.6	50%	0.5	37%	0.369	S	S	.	.			trans	-57.8	0	158.6	-62.4	0	0	0	0	108.1	C47 G51 K52 T53 K75	C47-C79 WeakPolarHBondContact CA-SG 3.5Å; C47-C79 HydrophobicContact CB-CB 3.96Å; C47-C79 WeakPolarHBondContact CB-SG 3.08Å; C47-C79 WeakPolarHBondContact SG-CA 3.01Å; C47-C79 WeakPolarHBondContact SG-CB 3.34Å; C47-C79 CovalentContact SG-SG 2.04Å; C47-C79 PolarHBondContact SG-SG 2.83Å; G51-C79 PolarHBondContact O-SG 2.9Å; K52-C79 VanDerWaalsContact C-SG 3.54Å; K52-C79 PolarHBondContact O-SG 2.96Å; K52-C79 VanDerWaalsContact O-SG 3.41Å; T53-C79 PolarHBondContact OG1-N 3.16Å; K75-C79 PolarHBondContact NZ-O 3.2Å

Retrieved 79 of 79 residues in 36.6 ms (Link to these results)

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