A0A096MR35_PAPAN Loading...

Serine peptidase inhibitor Kazal type 6

AlphaFold DB (A0A2K5YHC5), UniProt , Accession A0A096MR35, Species PAPAN (Papio anubis, Olive baboon), Gene SPINK6, Length 80 aa.

						>A0A096MR35_PAPAN|A0A096MR35|SPINK6
MKLSGIFLLLSLALFCFLSGVFSQGGRVDCGEFQDPKVYCTRESNPHCGSDGQTYGNKCAFCKAMVKSGGKISLKHPGKC
					

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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	59.1	Low	71.5	Confident	228 Å²	228	122.1 Å²	122.1	100%	1.123	64%	0.64	S	S	*	*				0	-19.2	0	-51.8	-162.9	-94.4	0	0	114.6
2	K	56.1	Low	72.2	Confident	188 Å²	188	121.2 Å²	121.2	82%	0.817	64%	0.635	S	S	*	*			trans	-90.5	-25.8	-178.7	-73.6	162.6	172.9	170.3	0	115.4
3	L	60.7	Low	72.9	Confident	145 Å²	145	115.1 Å²	115.1	76%	0.759	61%	0.613	S	S	*	*	H	α-helix	trans	-74.7	-29.9	177.2	-87.9	88.3	0	0	0	113.7	G5 I6 F7	L3-G5 VanDerWaalsContact C-N 3.33Å; L3-G5 PolarHBondContact O-N 2.75Å; L3-I6 PolarHBondContact O-N 3.42Å; L3-F7 PolarHBondContact O-N 3.24Å; L3-F7 VanDerWaalsContact O-N 3.11Å
4	S	68.4	Low	73.3	Confident	79 Å²	79	114.7 Å²	114.7	55%	0.552	61%	0.61	S	S	*	*	H	α-helix	trans	-66.4	-35.1	-177.2	-51.2	0	0	0	0	112.6	L8	S4-L8 WeakPolarHBondContact O-CG 3.35Å; S4-L8 PolarHBondContact O-N 3.46Å
5	G	69.9	Low	73.4	Confident	35 Å²	35	116.8 Å²	116.8	36%	0.361	61%	0.612	S	S	.	*	H	α-helix	trans	-69.7	-36.4	175.9	0	0	0	0	0	112.8	L3 L8 L9	L3-G5 VanDerWaalsContact C-N 3.33Å; L3-G5 PolarHBondContact O-N 2.75Å; G5-L8 PolarHBondContact O-N 2.63Å; G5-L9 VanDerWaalsContact O-CG 3.3Å; G5-L9 WeakPolarHBondContact O-CG 3.29Å; G5-L9 PolarHBondContact O-N 2.98Å
6	I	76.9	Confident	73.2	Confident	98 Å²	98	114.5 Å²	114.5	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-65.7	-41.5	176.5	-65.1	166	0	0	0	110.3	L3 L8 L9 L10	L3-I6 PolarHBondContact O-N 3.42Å; I6-L8 PolarHBondContact O-N 3.24Å; I6-L9 PolarHBondContact O-N 3.25Å; I6-L10 HydrophobicContact CG2-CD1 3.76Å; I6-L10 WeakPolarHBondContact O-CB 3.38Å; I6-L10 PolarHBondContact O-N 2.88Å
7	F	77.9	Confident	72.8	Confident	165 Å²	165	117.1 Å²	117.1	72%	0.724	61%	0.613	S	S	*	*	H	α-helix	trans	-65.2	-38.6	178.4	-144.8	-93.7	0	0	0	112.6	L3 S11	L3-F7 PolarHBondContact O-N 3.24Å; L3-F7 VanDerWaalsContact O-N 3.11Å; F7-S11 PolarHBondContact O-N 3.12Å; F7-S11 VanDerWaalsContact O-N 3.1Å; F7-S11 PolarHBondContact O-OG 3.47Å
8	L	77.3	Confident	72.2	Confident	123 Å²	123	116.4 Å²	116.4	64%	0.644	61%	0.609	S	S	*	*	H	α-helix	trans	-68.2	-35.2	174.6	-76.2	165.7	0	0	0	112.9	S4 G5 I6 S11 L12	S4-L8 WeakPolarHBondContact O-CG 3.35Å; S4-L8 PolarHBondContact O-N 3.46Å; G5-L8 PolarHBondContact O-N 2.63Å; I6-L8 PolarHBondContact O-N 3.24Å; L8-S11 PolarHBondContact O-OG 2.99Å; L8-L12 PolarHBondContact O-N 3.48Å
9	L	78	Confident	71.7	Confident	123 Å²	123	114.4 Å²	114.4	64%	0.644	61%	0.606	S	S	*	*	H	α-helix	trans	-71.8	-40.3	176.6	-73.5	167.1	0	0	0	111.9	G5 I6 L12 A13	G5-L9 VanDerWaalsContact O-CG 3.3Å; G5-L9 WeakPolarHBondContact O-CG 3.29Å; G5-L9 PolarHBondContact O-N 2.98Å; I6-L9 PolarHBondContact O-N 3.25Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-A13 WeakPolarHBondContact O-CB 3.23Å; L9-A13 PolarHBondContact O-N 3.17Å; L9-A13 VanDerWaalsContact O-N 3.08Å
10	L	79.9	Confident	70.9	Confident	115 Å²	115	111.6 Å²	111.6	60%	0.602	61%	0.605	S	S	*	*	H	α-helix	trans	-64.3	-40.1	175.8	-95.7	143.1	0	0	0	112.3	I6 L14	I6-L10 HydrophobicContact CG2-CD1 3.76Å; I6-L10 WeakPolarHBondContact O-CB 3.38Å; I6-L10 PolarHBondContact O-N 2.88Å; L10-L14 PolarHBondContact O-N 3.49Å; L10-L14 VanDerWaalsContact O-N 3.1Å
11	S	82.8	Confident	70.2	Confident	44 Å²	44	111.5 Å²	111.5	31%	0.308	61%	0.608	S	S	.	*	H	α-helix	trans	-66.8	-44.9	176.9	61.2	0	0	0	0	111.8	F7 L8 A13 L14 F15	F7-S11 PolarHBondContact O-N 3.12Å; F7-S11 VanDerWaalsContact O-N 3.1Å; F7-S11 PolarHBondContact O-OG 3.47Å; L8-S11 PolarHBondContact O-OG 2.99Å; S11-A13 VanDerWaalsContact C-N 3.33Å; S11-A13 PolarHBondContact O-N 3.33Å; S11-L14 PolarHBondContact O-N 2.94Å; S11-F15 WeakPolarHBondContact O-CD2 3.37Å; S11-F15 PolarHBondContact O-N 2.94Å
12	L	79.3	Confident	69.8	Low	111 Å²	111	109.6 Å²	109.6	58%	0.581	59%	0.594	S	S	*	*	H	α-helix	trans	-61.1	-41.4	177.9	-165.8	71.9	0	0	0	112	L8 L9 F15 C16	L8-L12 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-F15 PolarHBondContact O-N 3.23Å; L12-C16 PolarHBondContact O-N 3.4Å; L12-C16 PolarHBondContact O-SG 2.95Å
13	A	81.4	Confident	69.6	Low	42 Å²	42	105.7 Å²	105.7	35%	0.347	59%	0.59	S	S	.	*	H	α-helix	trans	-61	-46.4	174.8	0	0	0	0	0	111.6	L9 S11 F15 C16 F17	L9-A13 WeakPolarHBondContact O-CB 3.23Å; L9-A13 PolarHBondContact O-N 3.17Å; L9-A13 VanDerWaalsContact O-N 3.08Å; S11-A13 VanDerWaalsContact C-N 3.33Å; S11-A13 PolarHBondContact O-N 3.33Å; A13-F15 VanDerWaalsContact C-N 3.33Å; A13-F15 PolarHBondContact O-N 2.69Å; A13-C16 WeakPolarHBondContact O-CB 3.37Å; A13-C16 PolarHBondContact O-N 2.03Å; A13-F17 HydrophobicContact CB-CE2 4.29Å; A13-F17 WeakPolarHBondContact O-CD2 3.01Å; A13-F17 PolarHBondContact O-N 3.29Å
14	L	78.4	Confident	69.3	Low	110 Å²	110	107.5 Å²	107.5	58%	0.576	60%	0.595	S	S	*	*	H	α-helix	trans	-60.6	-40.5	176.7	-172.1	67.7	0	0	0	112.3	L10 S11 F17 L18	L10-L14 PolarHBondContact O-N 3.49Å; L10-L14 VanDerWaalsContact O-N 3.1Å; S11-L14 PolarHBondContact O-N 2.94Å; L14-F17 PolarHBondContact O-N 2.99Å; L14-L18 HydrophobicContact CG-CD1 4.28Å; L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 2.81Å
15	F	74.8	Confident	68.6	Low	146 Å²	146	106.4 Å²	106.4	64%	0.64	60%	0.597	S	S	*	*	H	α-helix	trans	-62.2	-40.8	174.3	-87.4	-73.7	0	0	0	112.5	S11 L12 A13 L18 S19	S11-F15 WeakPolarHBondContact O-CD2 3.37Å; S11-F15 PolarHBondContact O-N 2.94Å; L12-F15 PolarHBondContact O-N 3.23Å; A13-F15 VanDerWaalsContact C-N 3.33Å; A13-F15 PolarHBondContact O-N 2.69Å; F15-L18 PolarHBondContact O-N 3.38Å; F15-S19 PolarHBondContact O-N 2.79Å; F15-S19 PolarHBondContact O-OG 3.45Å
16	C	70.3	Confident	68.3	Low	80 Å²	80	107.4 Å²	107.4	54%	0.541	61%	0.606	S	S	.	*	H	α-helix	trans	-64.6	-39.7	175	-69.8	0	0	0	0	112.5	L12 A13 S19 G20	L12-C16 PolarHBondContact O-N 3.4Å; L12-C16 PolarHBondContact O-SG 2.95Å; A13-C16 WeakPolarHBondContact O-CB 3.37Å; A13-C16 PolarHBondContact O-N 2.03Å; C16-S19 WeakPolarHBondContact CA-OG 3.29Å; C16-S19 PolarHBondContact O-OG 3.18Å; C16-G20 PolarHBondContact O-N 2.92Å; C16-G20 VanDerWaalsContact O-N 3.11Å
17	F	66.8	Low	68	Low	159 Å²	159	114.1 Å²	114.1	70%	0.697	63%	0.626	S	S	*	*	H	α-helix	trans	-67.9	-39.7	176.3	-71.6	-65.2	0	0	0	112.1	A13 L14 G20 V21	A13-F17 HydrophobicContact CB-CE2 4.29Å; A13-F17 WeakPolarHBondContact O-CD2 3.01Å; A13-F17 PolarHBondContact O-N 3.29Å; L14-F17 PolarHBondContact O-N 2.99Å; F17-G20 PolarHBondContact O-N 3.43Å; F17-V21 WeakPolarHBondContact O-CG2 3.32Å; F17-V21 PolarHBondContact O-N 3.32Å
18	L	61.6	Low	68.3	Low	104 Å²	104	107.7 Å²	107.7	55%	0.545	60%	0.6	S	S	.	*	H	α-helix	trans	-66.6	-38	176.6	-72.6	167.7	0	0	0	112.7	L14 F15 G20 V21	L14-L18 HydrophobicContact CG-CD1 4.28Å; L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 2.81Å; F15-L18 PolarHBondContact O-N 3.38Å; L18-G20 VanDerWaalsContact C-N 3.27Å; L18-G20 PolarHBondContact O-N 2.9Å; L18-V21 PolarHBondContact O-N 3.42Å
19	S	62.4	Low	68.9	Low	79 Å²	79	107.2 Å²	107.2	55%	0.552	60%	0.598	S	S	*	*	H	α-helix	trans	-70	-25.3	174.7	34.6	0	0	0	0	112.5	F15 C16 V21 F22	F15-S19 PolarHBondContact O-N 2.79Å; F15-S19 PolarHBondContact O-OG 3.45Å; C16-S19 WeakPolarHBondContact CA-OG 3.29Å; C16-S19 PolarHBondContact O-OG 3.18Å; S19-V21 VanDerWaalsContact C-N 3.33Å; S19-F22 PolarHBondContact O-N 2.86Å
20	G	55.3	Low	69.5	Low	57 Å²	57	101.8 Å²	101.8	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-68.5	-24.3	168.9	0	0	0	0	0	114.8	C16 F17 L18 F22	C16-G20 PolarHBondContact O-N 2.92Å; C16-G20 VanDerWaalsContact O-N 3.11Å; F17-G20 PolarHBondContact O-N 3.43Å; L18-G20 VanDerWaalsContact C-N 3.27Å; L18-G20 PolarHBondContact O-N 2.9Å; G20-F22 VanDerWaalsContact C-N 3.33Å
21	V	56.3	Low	70	Confident	111 Å²	111	98.2 Å²	98.2	67%	0.673	56%	0.561	S	S	*	*	H	α-helix	trans	-77.3	-20	177.3	179.2	0	0	0	0	112	F17 L18 S19	F17-V21 WeakPolarHBondContact O-CG2 3.32Å; F17-V21 PolarHBondContact O-N 3.32Å; L18-V21 PolarHBondContact O-N 3.42Å; S19-V21 VanDerWaalsContact C-N 3.33Å
22	F	50.3	Low	70.2	Confident	187 Å²	187	102.4 Å²	102.4	82%	0.82	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-3.1	-174.1	-124.4	-93.1	0	0	0	115.1	S19 G20 Q24	S19-F22 PolarHBondContact O-N 2.86Å; G20-F22 VanDerWaalsContact C-N 3.33Å; F22-Q24 PolarHBondContact O-N 3.21Å
23	S	52.8	Low	70.7	Confident	106 Å²	106	98.4 Å²	98.4	74%	0.741	55%	0.554	S	S	*	*			trans	-86.6	53.5	178.5	-148.6	0	0	0	0	111.8	G25	S23-G25 PolarHBondContact O-N 2.82Å
24	Q	54.9	Low	70.9	Confident	183 Å²	183	102.9 Å²	102.9	86%	0.855	57%	0.568	S	S	*	*			trans	-79.2	74	157	-76.1	-162.4	5.9	0	0	108.2	F22 G26	F22-Q24 PolarHBondContact O-N 3.21Å; Q24-G26 PolarHBondContact O-N 3.29Å; Q24-G26 VanDerWaalsContact O-N 3.08Å
25	G	53.9	Low	71.4	Confident	57 Å²	57	101.5 Å²	101.5	59%	0.588	56%	0.561	S	S	*	*			trans	-52.2	116.4	158.8	0	0	0	0	0	108	S23 R27	S23-G25 PolarHBondContact O-N 2.82Å; G25-R27 PolarHBondContact O-N 3.45Å
26	G	63	Low	71.9	Confident	55 Å²	55	100.4 Å²	100.4	57%	0.567	57%	0.568	S	S	*	*			trans	-54.2	94.5	-159.1	0	0	0	0	0	114.5	Q24 L74	Q24-G26 PolarHBondContact O-N 3.29Å; Q24-G26 VanDerWaalsContact O-N 3.08Å; G26-L74 VanDerWaalsContact O-CD2 3.3Å; G26-L74 WeakPolarHBondContact O-CD2 2.94Å
27	R	69.6	Low	72.7	Confident	240 Å²	240	104.5 Å²	104.5	91%	0.906	58%	0.577	S	S	*	*			trans	-100.8	118.3	164	-69.6	-179.4	-180	173.8	0.7	107.2	G25 D29	G25-R27 PolarHBondContact O-N 3.45Å; R27-D29 PolarHBondContact O-N 2.83Å
28	V	85.4	Confident	73.8	Confident	30 Å²	30	98.5 Å²	98.5	18%	0.182	55%	0.553	C	S	.	*			trans	-82.4	109.2	175.5	174.5	0	0	0	0	108.3	C30 H47 K58 F61 L74	V28-C30 PolarHBondContact O-N 3.07Å; V28-H47 VanDerWaalsContact CG2-CD2 3.48Å; V28-H47 WeakPolarHBondContact CG2-CD2 3.48Å; V28-K58 HydrophobicContact CG1-CD 4.4Å; V28-K58 HydrophobicContact CG1-CG 3.76Å; V28-F61 HydrophobicContact CB-CD1 4.29Å; V28-F61 HydrophobicContact CB-CE1 4.11Å; V28-F61 HydrophobicContact CG1-CD1 3.82Å; V28-F61 HydrophobicContact CG1-CE1 4.08Å; V28-L74 HydrophobicContact CG2-CD1 4.16Å; V28-L74 HydrophobicContact CG2-CD2 3.81Å; V28-L74 HydrophobicContact CG2-CG 4.44Å
29	D	88.7	Confident	75.2	Confident	112 Å²	112	103.6 Å²	103.6	60%	0.599	57%	0.567	S	S	*	*			trans	-76.9	115.5	173.5	-169.7	-20.4	0	0	0	110.5	R27 G31 K58	R27-D29 PolarHBondContact O-N 2.83Å; D29-G31 PolarHBondContact OD1-N 2.95Å; D29-K58 WeakPolarHBondContact O-CE 3.04Å; D29-K58 PolarHBondContact O-NZ 2.82Å
30	C	92	Very high	76.6	Confident	9 Å²	9	102.4 Å²	102.4	6%	0.061	56%	0.558	C	S	.	*			trans	-102.1	8.7	-179.4	-66.9	0	0	0	0	114.4	V28 E32 F33 C62 M65	V28-C30 PolarHBondContact O-N 3.07Å; C30-E32 VanDerWaalsContact C-N 3.3Å; C30-E32 PolarHBondContact O-N 2.99Å; C30-F33 PolarHBondContact O-N 3.45Å; C30-C62 WeakPolarHBondContact CA-SG 3.23Å; C30-C62 HydrophobicContact CB-CB 3.55Å; C30-C62 WeakPolarHBondContact CB-SG 3.42Å; C30-C62 WeakPolarHBondContact SG-CA 3.34Å; C30-C62 WeakPolarHBondContact SG-CB 3.19Å; C30-C62 CovalentContact SG-SG 2.04Å; C30-C62 PolarHBondContact SG-SG 2.68Å; C30-M65 HydrophobicContact CB-CE 4.24Å; C30-M65 HydrophobicContact CB-SD 4.13Å; C30-M65 WeakPolarHBondContact SG-CE 3.35Å
31	G	89.9	Confident	78.3	Confident	41 Å²	41	104.7 Å²	104.7	42%	0.423	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-54.8	-43.3	-176.6	0	0	0	0	0	113.3	D29 F33 Q34	D29-G31 PolarHBondContact OD1-N 2.95Å; G31-F33 VanDerWaalsContact C-N 3.28Å; G31-F33 PolarHBondContact O-N 3.06Å; G31-Q34 PolarHBondContact O-N 3.49Å
32	E	86.2	Confident	80	Confident	132 Å²	132	111.2 Å²	111.2	62%	0.617	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-66.4	-27.3	178.6	-168.5	-177.8	167.5	0	0	113.1	C30 V38	C30-E32 VanDerWaalsContact C-N 3.3Å; C30-E32 PolarHBondContact O-N 2.99Å; E32-V38 WeakPolarHBondContact O-CG2 3.49Å
33	F	89.8	Confident	82.1	Confident	26 Å²	26	107.3 Å²	107.3	11%	0.114	56%	0.557	C	S	.	*	G	3₁₀ helix	trans	-94.3	6.7	-174.3	-57.8	-68.7	0	0	0	114	C30 G31 V38 K58 C59 C62	C30-F33 PolarHBondContact O-N 3.45Å; G31-F33 VanDerWaalsContact C-N 3.28Å; G31-F33 PolarHBondContact O-N 3.06Å; F33-V38 HydrophobicContact CD1-CG1 3.84Å; F33-V38 HydrophobicContact CE1-CG1 4.15Å; F33-K58 HydrophobicContact CE2-CD 3.79Å; F33-K58 HydrophobicContact CE2-CG 3.82Å; F33-K58 HydrophobicContact CZ-CD 4.37Å; F33-K58 HydrophobicContact CZ-CG 4.44Å; F33-C59 HydrophobicContact CD1-CB 3.85Å; F33-C59 WeakPolarHBondContact CD1-SG 3.39Å; F33-C59 HydrophobicContact CE1-CB 3.48Å; F33-C59 VanDerWaalsContact CE1-CB 3.48Å; F33-C59 WeakPolarHBondContact CE1-SG 2.99Å; F33-C59 HydrophobicContact CZ-CB 3.98Å; F33-C62 HydrophobicContact CB-CB 3.53Å; F33-C62 HydrophobicContact CD2-CB 3.58Å; F33-C62 VanDerWaalsContact CD2-SG 3.51Å; F33-C62 HydrophobicContact CG-CB 3.79Å
34	Q	87.5	Confident	84.1	Confident	136 Å²	136	106.6 Å²	106.6	64%	0.636	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-75.7	-27.3	173.1	-64.7	-175.4	5.9	0	0	112.2	G31 V66	G31-Q34 PolarHBondContact O-N 3.49Å; Q34-V66 HydrophobicContact CG-CG2 4.09Å
35	D	88.9	Confident	86	Confident	81 Å²	81	102.1 Å²	102.1	43%	0.433	53%	0.534	S	S	.	.	S	Bend	trans	-77	125	178.7	-171.7	-43.3	0	0	0	110.5	K37 V38	D35-K37 PolarHBondContact O-N 3.39Å; D35-K37 VanDerWaalsContact O-N 3.15Å; D35-K37 WeakPolarHBondContact OD1-CA 3.44Å; D35-K37 WeakPolarHBondContact OD1-CB 3.38Å; D35-K37 WeakPolarHBondContact OD1-CG 3.5Å; D35-K37 PolarHBondContact OD1-N 3.11Å; D35-V38 HydrophobicContact CB-CG2 4.03Å; D35-V38 PolarHBondContact O-N 3.26Å; D35-V38 VanDerWaalsContact O-N 3.13Å
36	P	83.9	Confident	88	Confident	123 Å²	123	100.9 Å²	100.9	80%	0.799	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.8	-179.9	26.5	-35.5	0	0	0	114.2	V38	P36-V38 VanDerWaalsContact C-N 3.29Å
37	K	88.6	Confident	89.5	Confident	167 Å²	167	99.6 Å²	99.6	73%	0.726	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.9	178.2	-58.6	-175.7	179.2	-169.2	0	113.1	D35 Y39	D35-K37 PolarHBondContact O-N 3.39Å; D35-K37 VanDerWaalsContact O-N 3.15Å; D35-K37 WeakPolarHBondContact OD1-CA 3.44Å; D35-K37 WeakPolarHBondContact OD1-CB 3.38Å; D35-K37 WeakPolarHBondContact OD1-CG 3.5Å; D35-K37 PolarHBondContact OD1-N 3.11Å; K37-Y39 WeakPolarHBondContact O-CD2 3.4Å; K37-Y39 WeakPolarHBondContact O-CE2 3.46Å; K37-Y39 PolarHBondContact O-N 2.87Å
38	V	89.8	Confident	90.8	Very high	33 Å²	33	88.2 Å²	88.2	20%	0.2	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-78.4	122.1	-179	173.4	0	0	0	0	111.1	E32 F33 D35 P36 K63	E32-V38 WeakPolarHBondContact O-CG2 3.49Å; F33-V38 HydrophobicContact CD1-CG1 3.84Å; F33-V38 HydrophobicContact CE1-CG1 4.15Å; D35-V38 HydrophobicContact CB-CG2 4.03Å; D35-V38 PolarHBondContact O-N 3.26Å; D35-V38 VanDerWaalsContact O-N 3.13Å; P36-V38 VanDerWaalsContact C-N 3.29Å; V38-K63 PolarHBondContact O-NZ 3.18Å
39	Y	89.8	Confident	91.3	Very high	211 Å²	211	86.8 Å²	86.8	83%	0.827	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-86.8	140.5	176.8	-66.2	-81.2	0	0	0	110.7	K37	K37-Y39 WeakPolarHBondContact O-CD2 3.4Å; K37-Y39 WeakPolarHBondContact O-CE2 3.46Å; K37-Y39 PolarHBondContact O-N 2.87Å
40	C	91.3	Very high	91.7	Very high	53 Å²	53	84.3 Å²	84.3	36%	0.358	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-83.8	133.7	174.6	-58	0	0	0	0	110.1	C59	C40-C59 WeakPolarHBondContact CA-SG 3.41Å; C40-C59 HydrophobicContact CB-CB 3.51Å; C40-C59 WeakPolarHBondContact CB-SG 3.41Å; C40-C59 WeakPolarHBondContact SG-CB 3.29Å; C40-C59 CovalentContact SG-SG 2.02Å; C40-C59 PolarHBondContact SG-SG 3.33Å
41	T	92	Very high	91.9	Very high	105 Å²	105	86.7 Å²	86.7	64%	0.644	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-69	163	163.3	59.4	0	0	0	0	110.3	E43 N57	T41-E43 VanDerWaalsContact C-N 3.25Å; T41-E43 PolarHBondContact O-N 2.94Å; T41-N57 PolarHBondContact O-ND2 3.12Å; T41-N57 VanDerWaalsContact O-ND2 3.12Å
42	R	92.8	Very high	92.3	Very high	249 Å²	249	87 Å²	87	94%	0.94	45%	0.45	S	S	*	.			trans	-90.8	19.8	176.4	-65.6	-173	177	-178.5	-0.2	113.3
43	E	93.9	Very high	92.9	Very high	105 Å²	105	86.1 Å²	86.1	49%	0.491	45%	0.446	S	S	.	.			trans	-58.5	145.4	174.5	-180	50.8	-122.1	0	0	110.3	T41 N45 N57	T41-E43 VanDerWaalsContact C-N 3.25Å; T41-E43 PolarHBondContact O-N 2.94Å; E43-N45 WeakPolarHBondContact CG-ND2 3.32Å; E43-N45 PolarHBondContact OE1-ND2 2.02Å; E43-N45 VanDerWaalsContact OE1-ND2 3.15Å; E43-N57 WeakPolarHBondContact O-CB 3.02Å; E43-N57 PolarHBondContact O-ND2 3.05Å; E43-N57 VanDerWaalsContact O-ND2 3.14Å
44	S	93.8	Very high	93.2	Very high	90 Å²	90	87.6 Å²	87.6	63%	0.629	46%	0.457	S	S	*	.			trans	-114.1	80.8	-176.9	174.1	0	0	0	0	110.2
45	N	94.3	Very high	93.7	Very high	90 Å²	90	82.3 Å²	82.3	48%	0.481	43%	0.432	S	S	.	.			trans	-123.3	86.6	175.7	-81	-52.3	0	0	0	109.3	E43 H47 G56 N57	E43-N45 WeakPolarHBondContact CG-ND2 3.32Å; E43-N45 PolarHBondContact OE1-ND2 2.02Å; E43-N45 VanDerWaalsContact OE1-ND2 3.15Å; N45-H47 PolarHBondContact O-CE1 2.9Å; N45-H47 PolarHBondContact O-ND1 3.28Å; N45-G56 CarbonylContact C-O 3.46Å; N45-G56 VanDerWaalsContact C-O 3.3Å; N45-G56 PolarHBondContact N-O 3.14Å; N45-G56 VanDerWaalsContact N-O 3.09Å; N45-N57 VanDerWaalsContact O-CA 3.27Å; N45-N57 WeakPolarHBondContact O-CA 3.36Å
46	P	96.2	Very high	94	Very high	31 Å²	31	80.5 Å²	80.5	20%	0.201	43%	0.432	C	S	.	.			trans	-67.9	149.4	-170	23.3	-30.8	0	0	0	113.3	T54 Y55 G78 K79	P46-T54 HydrophobicContact CB-CG2 4.01Å; P46-Y55 CarbonylContact C-O 3.5Å; P46-Y55 WeakPolarHBondContact CA-O 3.05Å; P46-G78 CarbonylContact C-O 3.09Å; P46-G78 CarbonylContact O-C 3.51Å; P46-G78 VanDerWaalsContact O-CA 3.23Å; P46-G78 WeakPolarHBondContact O-CA 3.12Å; P46-G78 PolarHBondContact O-N 3.36Å; P46-K79 HydrophobicContact CB-CG 3.8Å; P46-K79 HydrophobicContact CG-CG 3.81Å
47	H	95.6	Very high	94.5	Very high	27 Å²	27	75.7 Å²	75.7	13%	0.125	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.6	177.5	-63.9	74.2	0	0	0	110.1	V28 N45 Y55 F61 L74 G78	V28-H47 VanDerWaalsContact CG2-CD2 3.48Å; V28-H47 WeakPolarHBondContact CG2-CD2 3.48Å; N45-H47 PolarHBondContact O-CE1 2.9Å; N45-H47 PolarHBondContact O-ND1 3.28Å; H47-Y55 PolarHBondContact N-O 3.26Å; H47-Y55 PolarHBondContact O-N 3.09Å; H47-F61 HydrophobicContact CB-CB 4.31Å; H47-F61 HydrophobicContact CB-CD2 4.37Å; H47-F61 HydrophobicContact CB-CG 4.31Å; H47-L74 HydrophobicContact CB-CD1 3.75Å; H47-G78 CarbonylContact C-O 3.34Å; H47-G78 VanDerWaalsContact CA-O 3.23Å; H47-G78 WeakPolarHBondContact CA-O 3.48Å; H47-G78 PolarHBondContact N-O 3.03Å
48	C	97.1	Very high	94.8	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.007	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.7	175.8	-176	0	0	0	0	109.8	K75 H76 G78 C80	C48-K75 WeakPolarHBondContact O-CB 3.35Å; C48-K75 PolarHBondContact O-N 3.29Å; C48-H76 VanDerWaalsContact CB-CE1 3.48Å; C48-H76 WeakPolarHBondContact CB-CE1 3.19Å; C48-H76 WeakPolarHBondContact CB-O 3.48Å; C48-H76 PolarHBondContact N-O 2.04Å; C48-H76 PolarHBondContact O-N 2.97Å; C48-H76 PolarHBondContact SG-NE2 3.29Å; C48-G78 PolarHBondContact N-O 3.38Å; C48-C80 WeakPolarHBondContact CA-SG 3.3Å; C48-C80 HydrophobicContact CB-CB 4.08Å; C48-C80 WeakPolarHBondContact CB-SG 3.45Å; C48-C80 WeakPolarHBondContact SG-CB 3.48Å; C48-C80 CovalentContact SG-SG 2.03Å; C48-C80 PolarHBondContact SG-SG 3.19Å
49	G	96.3	Very high	95.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	162.5	176.4	0	0	0	0	0	113.3	D51 G52 Q53 S73	G49-D51 VanDerWaalsContact CA-OD1 3.32Å; G49-D51 WeakPolarHBondContact CA-OD1 3.45Å; G49-D51 PolarHBondContact O-N 3.49Å; G49-G52 PolarHBondContact O-N 2.86Å; G49-Q53 PolarHBondContact N-O 2.87Å; G49-S73 CarbonylContact C-O 3.3Å; G49-S73 WeakPolarHBondContact CA-O 3.17Å
50	S	96.6	Very high	95.3	Very high	60 Å²	60	61.9 Å²	61.9	42%	0.42	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19	173.2	59.2	0	0	0	0	113.1	S73	S50-S73 WeakPolarHBondContact CB-OG 3.23Å; S50-S73 PolarHBondContact N-O 3.43Å; S50-S73 PolarHBondContact OG-N 3.13Å; S50-S73 PolarHBondContact OG-OG 3.15Å
51	D	96.9	Very high	95.6	Very high	60 Å²	60	59.4 Å²	59.4	32%	0.321	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.5	172.1	63.4	-18.8	0	0	0	113.5	G49 Q53 Y55	G49-D51 VanDerWaalsContact CA-OD1 3.32Å; G49-D51 WeakPolarHBondContact CA-OD1 3.45Å; G49-D51 PolarHBondContact O-N 3.49Å; D51-Q53 VanDerWaalsContact C-N 3.26Å; D51-Q53 PolarHBondContact O-N 3.34Å; D51-Q53 PolarHBondContact OD1-N 3.28Å; D51-Q53 PolarHBondContact OD2-NE2 2.74Å; D51-Y55 PolarHBondContact OD2-OH 3.02Å
52	G	97	Very high	95.7	Very high	46 Å²	46	54.4 Å²	54.4	47%	0.474	30%	0.301	S	S	.	.	S	Bend	trans	76.6	9.7	-179.9	0	0	0	0	0	114.2	G49 C80	G49-G52 PolarHBondContact O-N 2.86Å; G52-C80 PolarHBondContact O-SG 3.11Å; G52-C80 VanDerWaalsContact O-SG 3.38Å
53	Q	98	Very high	95.8	Very high	114 Å²	114	46.5 Å²	46.5	53%	0.533	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-93	140.4	177.3	-65.5	-172.7	90.8	0	0	111.5	G49 D51 Y55 C80	G49-Q53 PolarHBondContact N-O 2.87Å; D51-Q53 VanDerWaalsContact C-N 3.26Å; D51-Q53 PolarHBondContact O-N 3.34Å; D51-Q53 PolarHBondContact OD1-N 3.28Å; D51-Q53 PolarHBondContact OD2-NE2 2.74Å; Q53-Y55 HydrophobicContact CB-CE2 3.87Å; Q53-Y55 VanDerWaalsContact O-CD2 3.29Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.4Å; Q53-Y55 WeakPolarHBondContact O-CE2 3.45Å; Q53-C80 VanDerWaalsContact C-SG 3.52Å; Q53-C80 PolarHBondContact O-SG 3.29Å; Q53-C80 VanDerWaalsContact O-SG 3.4Å
54	T	97.7	Very high	95.9	Very high	58 Å²	58	42.5 Å²	42.5	36%	0.356	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.6	171.4	-69.1	0	0	0	0	110.1	P46 K79 C80	P46-T54 HydrophobicContact CB-CG2 4.01Å; T54-K79 HydrophobicContact CG2-CB 3.87Å; T54-K79 HydrophobicContact CG2-CG 3.81Å; T54-K79 WeakPolarHBondContact OG1-CA 3.3Å; T54-C80 PolarHBondContact OG1-N 3.42Å; T54-C80 PolarHBondContact OG1-OXT 3.43Å
55	Y	96.8	Very high	95.9	Very high	25 Å²	25	40.2 Å²	40.2	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.5	175.1	-64.1	-86.2	0	0	0	109.2	P46 H47 D51 Q53 N57 F61 A64 I72	P46-Y55 CarbonylContact C-O 3.5Å; P46-Y55 WeakPolarHBondContact CA-O 3.05Å; H47-Y55 PolarHBondContact N-O 3.26Å; H47-Y55 PolarHBondContact O-N 3.09Å; D51-Y55 PolarHBondContact OD2-OH 3.02Å; Q53-Y55 HydrophobicContact CB-CE2 3.87Å; Q53-Y55 VanDerWaalsContact O-CD2 3.29Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.4Å; Q53-Y55 WeakPolarHBondContact O-CE2 3.45Å; Y55-N57 PolarHBondContact O-N 2.82Å; Y55-N57 VanDerWaalsContact O-N 3.07Å; Y55-F61 HydrophobicContact CD1-CB 4.43Å; Y55-F61 HydrophobicContact CD2-CB 4.38Å; Y55-F61 AromaticContact CD2-CD2 3.56Å; Y55-F61 HydrophobicContact CD2-CD2 3.56Å; Y55-F61 HydrophobicContact CD2-CE2 4.4Å; Y55-F61 HydrophobicContact CD2-CG 4.46Å; Y55-F61 AromaticContact CE2-CD2 3.99Å; Y55-F61 HydrophobicContact CE2-CD2 3.99Å; Y55-F61 HydrophobicContact CG-CB 3.9Å; Y55-F61 AromaticContact CG-CD2 3.96Å; Y55-F61 HydrophobicContact CG-CD2 3.96Å; Y55-F61 HydrophobicContact CG-CG 4.44Å; Y55-A64 HydrophobicContact CD1-CB 4.01Å; Y55-A64 HydrophobicContact CE1-CB 3.21Å; Y55-I72 HydrophobicContact CE2-CG2 4.38Å
56	G	96.1	Very high	95.9	Very high	42 Å²	42	39 Å²	39	43%	0.433	23%	0.234	S	C	.	.	S	Bend	trans	-61.5	-21.9	-170.7	0	0	0	0	0	115.3	N45	N45-G56 CarbonylContact C-O 3.46Å; N45-G56 VanDerWaalsContact C-O 3.3Å; N45-G56 PolarHBondContact N-O 3.14Å; N45-G56 VanDerWaalsContact N-O 3.09Å
57	N	94.8	Very high	95.8	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.123	27%	0.265	C	S	.	.	S	Bend	trans	-154.1	172.4	172.6	63.3	42.5	0	0	0	113.2	T41 E43 N45 Y55 C59 A60 F61	T41-N57 PolarHBondContact O-ND2 3.12Å; T41-N57 VanDerWaalsContact O-ND2 3.12Å; E43-N57 WeakPolarHBondContact O-CB 3.02Å; E43-N57 PolarHBondContact O-ND2 3.05Å; E43-N57 VanDerWaalsContact O-ND2 3.14Å; N45-N57 VanDerWaalsContact O-CA 3.27Å; N45-N57 WeakPolarHBondContact O-CA 3.36Å; Y55-N57 PolarHBondContact O-N 2.82Å; Y55-N57 VanDerWaalsContact O-N 3.07Å; N57-C59 VanDerWaalsContact C-N 3.29Å; N57-C59 PolarHBondContact O-N 3.14Å; N57-C59 WeakPolarHBondContact OD1-CB 3.38Å; N57-C59 PolarHBondContact OD1-N 2.77Å; N57-C59 VanDerWaalsContact OD1-N 3.14Å; N57-A60 PolarHBondContact O-N 3.44Å; N57-A60 PolarHBondContact OD1-N 3.47Å; N57-F61 PolarHBondContact O-N 3.06Å
58	K	94.2	Very high	95.7	Very high	79 Å²	79	46.9 Å²	46.9	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-52.4	-45	177.5	-171.3	-176.2	179.3	-161.8	0	112.4	V28 D29 F33 F61 C62	V28-K58 HydrophobicContact CG1-CD 4.4Å; V28-K58 HydrophobicContact CG1-CG 3.76Å; D29-K58 WeakPolarHBondContact O-CE 3.04Å; D29-K58 PolarHBondContact O-NZ 2.82Å; F33-K58 HydrophobicContact CE2-CD 3.79Å; F33-K58 HydrophobicContact CE2-CG 3.82Å; F33-K58 HydrophobicContact CZ-CD 4.37Å; F33-K58 HydrophobicContact CZ-CG 4.44Å; K58-F61 PolarHBondContact O-N 3.45Å; K58-C62 WeakPolarHBondContact O-CB 3.4Å; K58-C62 PolarHBondContact O-N 3.08Å; K58-C62 PolarHBondContact O-SG 2.87Å
59	C	95.5	Very high	95.6	Very high	4 Å²	4	50 Å²	50	3%	0.027	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-44.8	-178.2	-171.3	0	0	0	0	112	F33 C40 N57 F61 C62 K63	F33-C59 HydrophobicContact CD1-CB 3.85Å; F33-C59 WeakPolarHBondContact CD1-SG 3.39Å; F33-C59 HydrophobicContact CE1-CB 3.48Å; F33-C59 VanDerWaalsContact CE1-CB 3.48Å; F33-C59 WeakPolarHBondContact CE1-SG 2.99Å; F33-C59 HydrophobicContact CZ-CB 3.98Å; C40-C59 WeakPolarHBondContact CA-SG 3.41Å; C40-C59 HydrophobicContact CB-CB 3.51Å; C40-C59 WeakPolarHBondContact CB-SG 3.41Å; C40-C59 WeakPolarHBondContact SG-CB 3.29Å; C40-C59 CovalentContact SG-SG 2.02Å; C40-C59 PolarHBondContact SG-SG 3.33Å; N57-C59 VanDerWaalsContact C-N 3.29Å; N57-C59 PolarHBondContact O-N 3.14Å; N57-C59 WeakPolarHBondContact OD1-CB 3.38Å; N57-C59 PolarHBondContact OD1-N 2.77Å; N57-C59 VanDerWaalsContact OD1-N 3.14Å; C59-F61 PolarHBondContact O-N 3.45Å; C59-C62 PolarHBondContact O-N 3.05Å; C59-K63 WeakPolarHBondContact O-CB 3.2Å; C59-K63 WeakPolarHBondContact O-CG 3.27Å; C59-K63 PolarHBondContact O-N 3.2Å
60	A	95.1	Very high	95.4	Very high	38 Å²	38	52.4 Å²	52.4	31%	0.314	33%	0.326	S	S	.	.	H	α-helix	trans	-61.2	-44.2	177	0	0	0	0	0	111.6	N57 A64	N57-A60 PolarHBondContact O-N 3.44Å; N57-A60 PolarHBondContact OD1-N 3.47Å; A60-A64 WeakPolarHBondContact O-CB 3.48Å; A60-A64 PolarHBondContact O-N 3.15Å; A60-A64 VanDerWaalsContact O-N 3.11Å
61	F	96.1	Very high	95.3	Very high	1 Å²	1	58 Å²	58	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-50.3	175.1	175.6	-101.8	0	0	0	111.7	V28 H47 Y55 N57 K58 C59 K63 A64 M65 I72 L74	V28-F61 HydrophobicContact CB-CD1 4.29Å; V28-F61 HydrophobicContact CB-CE1 4.11Å; V28-F61 HydrophobicContact CG1-CD1 3.82Å; V28-F61 HydrophobicContact CG1-CE1 4.08Å; H47-F61 HydrophobicContact CB-CB 4.31Å; H47-F61 HydrophobicContact CB-CD2 4.37Å; H47-F61 HydrophobicContact CB-CG 4.31Å; Y55-F61 HydrophobicContact CD1-CB 4.43Å; Y55-F61 HydrophobicContact CD2-CB 4.38Å; Y55-F61 AromaticContact CD2-CD2 3.56Å; Y55-F61 HydrophobicContact CD2-CD2 3.56Å; Y55-F61 HydrophobicContact CD2-CE2 4.4Å; Y55-F61 HydrophobicContact CD2-CG 4.46Å; Y55-F61 AromaticContact CE2-CD2 3.99Å; Y55-F61 HydrophobicContact CE2-CD2 3.99Å; Y55-F61 HydrophobicContact CG-CB 3.9Å; Y55-F61 AromaticContact CG-CD2 3.96Å; Y55-F61 HydrophobicContact CG-CD2 3.96Å; Y55-F61 HydrophobicContact CG-CG 4.44Å; N57-F61 PolarHBondContact O-N 3.06Å; K58-F61 PolarHBondContact O-N 3.45Å; C59-F61 PolarHBondContact O-N 3.45Å; F61-K63 PolarHBondContact O-N 3.02Å; F61-A64 WeakPolarHBondContact O-CB 2.85Å; F61-A64 PolarHBondContact O-N 3.31Å; F61-M65 HydrophobicContact CD1-CE 4.38Å; F61-M65 HydrophobicContact CE1-CE 3.54Å; F61-M65 HydrophobicContact CZ-CE 4.06Å; F61-M65 PolarHBondContact O-N 3.33Å; F61-I72 HydrophobicContact CE2-CG2 3.95Å; F61-L74 HydrophobicContact CE1-CB 4.39Å; F61-L74 HydrophobicContact CE2-CD1 4.45Å; F61-L74 HydrophobicContact CZ-CB 3.95Å; F61-L74 HydrophobicContact CZ-CD1 4.35Å
62	C	95.4	Very high	95.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-39.2	-178.4	-71.1	0	0	0	0	112.9	C30 F33 K58 C59 A64 M65 V66	C30-C62 WeakPolarHBondContact CA-SG 3.23Å; C30-C62 HydrophobicContact CB-CB 3.55Å; C30-C62 WeakPolarHBondContact CB-SG 3.42Å; C30-C62 WeakPolarHBondContact SG-CA 3.34Å; C30-C62 WeakPolarHBondContact SG-CB 3.19Å; C30-C62 CovalentContact SG-SG 2.04Å; C30-C62 PolarHBondContact SG-SG 2.68Å; F33-C62 HydrophobicContact CB-CB 3.53Å; F33-C62 HydrophobicContact CD2-CB 3.58Å; F33-C62 VanDerWaalsContact CD2-SG 3.51Å; F33-C62 HydrophobicContact CG-CB 3.79Å; K58-C62 WeakPolarHBondContact O-CB 3.4Å; K58-C62 PolarHBondContact O-N 3.08Å; K58-C62 PolarHBondContact O-SG 2.87Å; C59-C62 PolarHBondContact O-N 3.05Å; C62-A64 VanDerWaalsContact C-N 3.31Å; C62-A64 PolarHBondContact O-N 3.33Å; C62-M65 PolarHBondContact O-N 3.23Å; C62-V66 VanDerWaalsContact O-CG2 3.29Å; C62-V66 WeakPolarHBondContact O-CG2 3.47Å; C62-V66 PolarHBondContact O-N 3.11Å
63	K	94.6	Very high	95.1	Very high	83 Å²	83	57.3 Å²	57.3	36%	0.361	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-39.4	174.4	-75.5	-173.7	176	-176.4	0	111.8	V38 C59 F61 K67	V38-K63 PolarHBondContact O-NZ 3.18Å; C59-K63 WeakPolarHBondContact O-CB 3.2Å; C59-K63 WeakPolarHBondContact O-CG 3.27Å; C59-K63 PolarHBondContact O-N 3.2Å; F61-K63 PolarHBondContact O-N 3.02Å; K63-K67 VanDerWaalsContact O-CB 3.23Å; K63-K67 WeakPolarHBondContact O-CB 3.15Å; K63-K67 PolarHBondContact O-N 3.02Å
64	A	95.1	Very high	95	Very high	21 Å²	21	53.9 Å²	53.9	17%	0.174	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-43.9	175.1	0	0	0	0	0	112.1	Y55 A60 F61 C62 V66 K67 S68 I72	Y55-A64 HydrophobicContact CD1-CB 4.01Å; Y55-A64 HydrophobicContact CE1-CB 3.21Å; A60-A64 WeakPolarHBondContact O-CB 3.48Å; A60-A64 PolarHBondContact O-N 3.15Å; A60-A64 VanDerWaalsContact O-N 3.11Å; F61-A64 WeakPolarHBondContact O-CB 2.85Å; F61-A64 PolarHBondContact O-N 3.31Å; C62-A64 VanDerWaalsContact C-N 3.31Å; C62-A64 PolarHBondContact O-N 3.33Å; A64-V66 PolarHBondContact O-N 3Å; A64-K67 PolarHBondContact O-N 3.18Å; A64-S68 WeakPolarHBondContact O-CB 3.42Å; A64-S68 PolarHBondContact O-N 2.95Å; A64-S68 PolarHBondContact O-OG 3.01Å; A64-I72 HydrophobicContact CB-CD1 4.26Å
65	M	94.9	Very high	94.8	Very high	42 Å²	42	58 Å²	58	21%	0.207	33%	0.331	C	S	.	.	H	α-helix	trans	-55.4	-52.6	173.7	178.6	-152.7	-66.7	0	0	111	C30 F61 C62 K67 S68 G69 G70 I72	C30-M65 HydrophobicContact CB-CE 4.24Å; C30-M65 HydrophobicContact CB-SD 4.13Å; C30-M65 WeakPolarHBondContact SG-CE 3.35Å; F61-M65 HydrophobicContact CD1-CE 4.38Å; F61-M65 HydrophobicContact CE1-CE 3.54Å; F61-M65 HydrophobicContact CZ-CE 4.06Å; F61-M65 PolarHBondContact O-N 3.33Å; C62-M65 PolarHBondContact O-N 3.23Å; M65-K67 PolarHBondContact O-N 3.33Å; M65-S68 PolarHBondContact O-N 3.42Å; M65-S68 VanDerWaalsContact O-N 3.12Å; M65-S68 PolarHBondContact O-OG 3.08Å; M65-G69 PolarHBondContact O-N 3.2Å; M65-G70 PolarHBondContact O-N 3.41Å; M65-I72 WeakPolarHBondContact CG-O 3.48Å
66	V	93.8	Very high	94.7	Very high	65 Å²	65	60.4 Å²	60.4	39%	0.394	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-46.1	179.8	173.9	0	0	0	0	110.7	Q34 C62 A64 S68 G69	Q34-V66 HydrophobicContact CG-CG2 4.09Å; C62-V66 VanDerWaalsContact O-CG2 3.29Å; C62-V66 WeakPolarHBondContact O-CG2 3.47Å; C62-V66 PolarHBondContact O-N 3.11Å; A64-V66 PolarHBondContact O-N 3Å; V66-S68 PolarHBondContact O-N 3.1Å; V66-G69 PolarHBondContact O-N 3.43Å
67	K	93.8	Very high	94.5	Very high	194 Å²	194	63 Å²	63	84%	0.843	35%	0.352	S	S	*	.	H	α-helix	trans	-60	-32.2	176.3	-174.5	178	178.9	-177.9	0	112.8	K63 A64 M65 G69	K63-K67 VanDerWaalsContact O-CB 3.23Å; K63-K67 WeakPolarHBondContact O-CB 3.15Å; K63-K67 PolarHBondContact O-N 3.02Å; A64-K67 PolarHBondContact O-N 3.18Å; M65-K67 PolarHBondContact O-N 3.33Å; K67-G69 VanDerWaalsContact C-N 3.28Å
68	S	94.6	Very high	94.5	Very high	28 Å²	28	63.1 Å²	63.1	20%	0.196	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.3	177	78.1	0	0	0	0	114	A64 M65 V66 G70 K71 I72	A64-S68 WeakPolarHBondContact O-CB 3.42Å; A64-S68 PolarHBondContact O-N 2.95Å; A64-S68 PolarHBondContact O-OG 3.01Å; M65-S68 PolarHBondContact O-N 3.42Å; M65-S68 VanDerWaalsContact O-N 3.12Å; M65-S68 PolarHBondContact O-OG 3.08Å; V66-S68 PolarHBondContact O-N 3.1Å; S68-G70 PolarHBondContact OG-N 3.2Å; S68-K71 WeakPolarHBondContact O-CD 3.45Å; S68-K71 VanDerWaalsContact O-CG 3.29Å; S68-K71 WeakPolarHBondContact O-CG 3.4Å; S68-K71 PolarHBondContact OG-N 3.49Å; S68-I72 PolarHBondContact OG-N 2.93Å
69	G	93.6	Very high	94.6	Very high	68 Å²	68	66.6 Å²	66.6	70%	0.701	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	32.8	-171.5	0	0	0	0	0	113	M65 V66 K67	M65-G69 PolarHBondContact O-N 3.2Å; V66-G69 PolarHBondContact O-N 3.43Å; K67-G69 VanDerWaalsContact C-N 3.28Å
70	G	92	Very high	94.5	Very high	50 Å²	50	70.8 Å²	70.8	52%	0.515	40%	0.402	S	S	.	.	S	Bend	trans	80	10.5	179.6	0	0	0	0	0	115.4	M65 S68 I72	M65-G70 PolarHBondContact O-N 3.41Å; S68-G70 PolarHBondContact OG-N 3.2Å; G70-I72 VanDerWaalsContact C-N 3.31Å
71	K	95.6	Very high	94.5	Very high	178 Å²	178	72.4 Å²	72.4	77%	0.774	41%	0.406	S	S	*	.			trans	-71.1	-28.3	177.5	-65.8	175.8	-173.5	178.4	0	112.9	S68	S68-K71 WeakPolarHBondContact O-CD 3.45Å; S68-K71 VanDerWaalsContact O-CG 3.29Å; S68-K71 WeakPolarHBondContact O-CG 3.4Å; S68-K71 PolarHBondContact OG-N 3.49Å
72	I	95.6	Very high	94.4	Very high	23 Å²	23	76.2 Å²	76.2	12%	0.118	43%	0.427	C	S	.	.			trans	-89.8	117.9	178.1	-57.1	165.9	0	0	0	108.3	Y55 F61 A64 M65 S68 G70	Y55-I72 HydrophobicContact CE2-CG2 4.38Å; F61-I72 HydrophobicContact CE2-CG2 3.95Å; A64-I72 HydrophobicContact CB-CD1 4.26Å; M65-I72 WeakPolarHBondContact CG-O 3.48Å; S68-I72 PolarHBondContact OG-N 2.93Å; G70-I72 VanDerWaalsContact C-N 3.31Å
73	S	94.5	Very high	94.4	Very high	67 Å²	67	80.4 Å²	80.4	47%	0.469	45%	0.451	S	S	.	.			trans	-109.4	163	173.6	60.6	0	0	0	0	110.3	G49 S50 K75	G49-S73 CarbonylContact C-O 3.3Å; G49-S73 WeakPolarHBondContact CA-O 3.17Å; S50-S73 WeakPolarHBondContact CB-OG 3.23Å; S50-S73 PolarHBondContact N-O 3.43Å; S50-S73 PolarHBondContact OG-N 3.13Å; S50-S73 PolarHBondContact OG-OG 3.15Å; S73-K75 PolarHBondContact O-N 3.1Å
74	L	94.4	Very high	94.3	Very high	43 Å²	43	80.2 Å²	80.2	23%	0.225	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	125.9	175.5	-176.2	75.5	0	0	0	108.6	G26 V28 H47 F61	G26-L74 VanDerWaalsContact O-CD2 3.3Å; G26-L74 WeakPolarHBondContact O-CD2 2.94Å; V28-L74 HydrophobicContact CG2-CD1 4.16Å; V28-L74 HydrophobicContact CG2-CD2 3.81Å; V28-L74 HydrophobicContact CG2-CG 4.44Å; H47-L74 HydrophobicContact CB-CD1 3.75Å; F61-L74 HydrophobicContact CE1-CB 4.39Å; F61-L74 HydrophobicContact CE2-CD1 4.45Å; F61-L74 HydrophobicContact CZ-CB 3.95Å; F61-L74 HydrophobicContact CZ-CD1 4.35Å
75	K	94.9	Very high	94.3	Very high	145 Å²	145	83.9 Å²	83.9	63%	0.63	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	-54	172.1	-168.5	-178.4	-178.3	-179.5	0	110.8	C48 S73	C48-K75 WeakPolarHBondContact O-CB 3.35Å; C48-K75 PolarHBondContact O-N 3.29Å; S73-K75 PolarHBondContact O-N 3.1Å
76	H	93.9	Very high	94.2	Very high	75 Å²	75	86.7 Å²	86.7	35%	0.347	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.2	172.6	59.7	85.2	0	0	0	110.9	C48 K79	C48-H76 VanDerWaalsContact CB-CE1 3.48Å; C48-H76 WeakPolarHBondContact CB-CE1 3.19Å; C48-H76 WeakPolarHBondContact CB-O 3.48Å; C48-H76 PolarHBondContact N-O 2.04Å; C48-H76 PolarHBondContact O-N 2.97Å; C48-H76 PolarHBondContact SG-NE2 3.29Å; H76-K79 PolarHBondContact CE1-O 3.5Å; H76-K79 VanDerWaalsContact CE1-O 3.29Å
77	P	93.1	Very high	94.3	Very high	96 Å²	96	88.3 Å²	88.3	62%	0.623	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	153.3	168.1	28.3	-35.4	0	0	0	111
78	G	94.1	Very high	94.3	Very high	26 Å²	26	80.2 Å²	80.2	27%	0.268	47%	0.473	S	S	.	.	S	Bend	trans	93.7	-174.1	-177.8	0	0	0	0	0	113.5	P46 H47 C48	P46-G78 CarbonylContact C-O 3.09Å; P46-G78 CarbonylContact O-C 3.51Å; P46-G78 VanDerWaalsContact O-CA 3.23Å; P46-G78 WeakPolarHBondContact O-CA 3.12Å; P46-G78 PolarHBondContact O-N 3.36Å; H47-G78 CarbonylContact C-O 3.34Å; H47-G78 VanDerWaalsContact CA-O 3.23Å; H47-G78 WeakPolarHBondContact CA-O 3.48Å; H47-G78 PolarHBondContact N-O 3.03Å; C48-G78 PolarHBondContact N-O 3.38Å
79	K	96.1	Very high	94.3	Very high	152 Å²	152	84.5 Å²	84.5	66%	0.661	50%	0.496	S	S	*	.			trans	-75.9	141.7	173.4	-54.1	-172.2	176.6	177.7	0	109.5	P46 T54 H76	P46-K79 HydrophobicContact CB-CG 3.8Å; P46-K79 HydrophobicContact CG-CG 3.81Å; T54-K79 HydrophobicContact CG2-CB 3.87Å; T54-K79 HydrophobicContact CG2-CG 3.81Å; T54-K79 WeakPolarHBondContact OG1-CA 3.3Å; H76-K79 PolarHBondContact CE1-O 3.5Å; H76-K79 VanDerWaalsContact CE1-O 3.29Å
80	C	93.8	Very high	94.4	Very high	91 Å²	91	86 Å²	86	62%	0.615	48%	0.477	S	S	*	.			trans	-62.2	0	148	-38.7	0	0	0	0	107.7	C48 G52 Q53 T54	C48-C80 WeakPolarHBondContact CA-SG 3.3Å; C48-C80 HydrophobicContact CB-CB 4.08Å; C48-C80 WeakPolarHBondContact CB-SG 3.45Å; C48-C80 WeakPolarHBondContact SG-CB 3.48Å; C48-C80 CovalentContact SG-SG 2.03Å; C48-C80 PolarHBondContact SG-SG 3.19Å; G52-C80 PolarHBondContact O-SG 3.11Å; G52-C80 VanDerWaalsContact O-SG 3.38Å; Q53-C80 VanDerWaalsContact C-SG 3.52Å; Q53-C80 PolarHBondContact O-SG 3.29Å; Q53-C80 VanDerWaalsContact O-SG 3.4Å; T54-C80 PolarHBondContact OG1-N 3.42Å; T54-C80 PolarHBondContact OG1-OXT 3.43Å

Retrieved 80 of 80 residues in 17.8 ms (Link to these results)

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