A0A096NBP9_PAPAN Loading...

Serine peptidase inhibitor Kazal type 8 (putative)

AlphaFold DB (A0A2K5WQE7), UniProt , Accession A0A096NBP9, Species PAPAN (Papio anubis, Olive baboon), Gene SPINK8, Length 97 aa.

						>A0A096NBP9_PAPAN|A0A096NBP9|SPINK8
MKGTCSDAILVLATSMWMAFAIDFPLPMASERGQLGETKVECLKNINNCWFLSYIKPSEPICGSDKVTYSSECHLCSKILFEGLNITKLYDGQCENS
					

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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	38.6	Very low	49.7	Very low	245 Å²	245	127.9 Å²	127.9	100%	1.207	75%	0.745	S	S	*	*				0	112.5	0	-72.5	150.1	75.2	0	0	107.4	G3	M1-G3 PolarHBondContact O-N 2.87Å
2	K	39.9	Very low	50.2	Low	206 Å²	206	127.3 Å²	127.3	90%	0.896	74%	0.736	S	S	*	*			trans	-86.1	98.4	-179.2	44.1	-168.8	172	-169.5	0	107.2	T4	K2-T4 PolarHBondContact O-N 2.62Å
3	G	41.3	Very low	50.8	Low	77 Å²	77	122.6 Å²	122.6	79%	0.794	72%	0.721	S	S	*	*			trans	-76.8	109.6	177.1	0	0	0	0	0	109.3	M1 C5	M1-G3 PolarHBondContact O-N 2.87Å; G3-C5 PolarHBondContact O-N 3.21Å
4	T	49.8	Very low	51.5	Low	138 Å²	138	120.1 Å²	120.1	85%	0.847	71%	0.708	S	S	*	*			trans	-74.5	108.7	169.9	41.7	0	0	0	0	108.2	K2 S6	K2-T4 PolarHBondContact O-N 2.62Å; T4-S6 PolarHBondContact O-N 3.36Å
5	C	53.8	Low	51.7	Low	123 Å²	123	117.1 Å²	117.1	83%	0.831	70%	0.696	S	S	*	*			trans	-89.2	88.5	174.8	-164.9	0	0	0	0	109.3	G3 D7	G3-C5 PolarHBondContact O-N 3.21Å; C5-D7 PolarHBondContact O-N 3.41Å
6	S	53	Low	52	Low	62 Å²	62	119.3 Å²	119.3	43%	0.434	70%	0.699	S	S	.	*			trans	39.6	73.6	145.3	-150.5	0	0	0	0	117.7	T4 A8 I9	T4-S6 PolarHBondContact O-N 3.36Å; S6-A8 PolarHBondContact O-N 3.21Å; S6-A8 VanDerWaalsContact O-N 3.16Å; S6-I9 PolarHBondContact O-N 3.23Å
7	D	53.4	Low	51.9	Low	143 Å²	143	123.4 Å²	123.4	77%	0.765	70%	0.7	S	S	*	*	H	α-helix	trans	-60.8	-16	168	-72.6	-50.9	0	0	0	113.5	C5 V11	C5-D7 PolarHBondContact O-N 3.41Å; D7-V11 WeakPolarHBondContact O-CG2 3.15Å
8	A	52.5	Low	52	Low	66 Å²	66	126.1 Å²	126.1	55%	0.545	71%	0.708	S	S	.	*	H	α-helix	trans	-72.4	-27.4	-178.3	0	0	0	0	0	113.8	S6	S6-A8 PolarHBondContact O-N 3.21Å; S6-A8 VanDerWaalsContact O-N 3.16Å
9	I	54.5	Low	52	Low	119 Å²	119	123.8 Å²	123.8	61%	0.61	71%	0.707	S	S	*	*	H	α-helix	trans	-74.5	-34.7	-176.7	-62	173.6	0	0	0	110.8	S6 L12	S6-I9 PolarHBondContact O-N 3.23Å; I9-L12 PolarHBondContact O-N 3.31Å
10	L	53.5	Low	52.1	Low	135 Å²	135	124.9 Å²	124.9	71%	0.707	70%	0.703	S	S	*	*	H	α-helix	trans	-68.6	-36.3	179.3	-130	90.4	0	0	0	112.2	L12 A13 T14	L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.18Å; L10-A13 PolarHBondContact O-N 3.43Å; L10-T14 PolarHBondContact O-N 2.96Å; L10-T14 PolarHBondContact O-OG1 3.15Å
11	V	56.3	Low	51.9	Low	93 Å²	93	122.3 Å²	122.3	56%	0.564	70%	0.698	S	S	*	*	H	α-helix	trans	-65.3	-34.5	179.8	177.1	0	0	0	0	111.8	D7 T14 S15	D7-V11 WeakPolarHBondContact O-CG2 3.15Å; V11-T14 PolarHBondContact O-OG1 2.88Å; V11-T14 VanDerWaalsContact O-OG1 3.12Å; V11-S15 PolarHBondContact O-N 2.81Å
12	L	56.5	Low	52.7	Low	121 Å²	121	118.2 Å²	118.2	63%	0.634	68%	0.679	S	S	*	*	H	α-helix	trans	-70.4	-37.7	178.6	-66.5	174.8	0	0	0	111.9	I9 L10 S15	I9-L12 PolarHBondContact O-N 3.31Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.18Å; L12-S15 PolarHBondContact O-OG 2.86Å
13	A	58.1	Low	53.3	Low	66 Å²	66	112.4 Å²	112.4	55%	0.545	66%	0.658	S	S	.	*	H	α-helix	trans	-70.5	-34.4	178.8	0	0	0	0	0	113.1	L10 M16	L10-A13 PolarHBondContact O-N 3.43Å; A13-M16 PolarHBondContact O-N 3.05Å
14	T	59.5	Low	54.4	Low	88 Å²	88	109.8 Å²	109.8	54%	0.54	63%	0.625	S	S	.	*	H	α-helix	trans	-76.4	-28.2	177.9	56.6	0	0	0	0	112.7	L10 V11 M16 W17	L10-T14 PolarHBondContact O-N 2.96Å; L10-T14 PolarHBondContact O-OG1 3.15Å; V11-T14 PolarHBondContact O-OG1 2.88Å; V11-T14 VanDerWaalsContact O-OG1 3.12Å; T14-M16 PolarHBondContact O-N 2.62Å; T14-W17 PolarHBondContact O-N 3.23Å
15	S	54.9	Low	55.3	Low	74 Å²	74	107 Å²	107	52%	0.517	61%	0.61	S	S	.	*	H	α-helix	trans	-63.5	-30.1	173.2	75.5	0	0	0	0	112.9	V11 L12 W17 M18	V11-S15 PolarHBondContact O-N 2.81Å; L12-S15 PolarHBondContact O-OG 2.86Å; S15-W17 VanDerWaalsContact C-N 3.29Å; S15-W17 PolarHBondContact O-N 3.03Å; S15-M18 PolarHBondContact O-N 3.41Å
16	M	56.5	Low	56.1	Low	153 Å²	153	101.3 Å²	101.3	75%	0.754	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-10.4	-178	-154.3	151.1	71.2	0	0	113.4	A13 T14	A13-M16 PolarHBondContact O-N 3.05Å; T14-M16 PolarHBondContact O-N 2.62Å
17	W	51	Low	57.3	Low	189 Å²	189	100.2 Å²	100.2	72%	0.716	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-22.9	175.1	-153.1	-59	0	0	0	112.6	T14 S15 A19 F20	T14-W17 PolarHBondContact O-N 3.23Å; S15-W17 VanDerWaalsContact C-N 3.29Å; S15-W17 PolarHBondContact O-N 3.03Å; W17-A19 PolarHBondContact O-N 3.47Å; W17-F20 AromaticContact CD1-CD2 3.6Å; W17-F20 AromaticContact CD1-CE2 3.54Å; W17-F20 HydrophobicContact CD2-CE2 4.48Å; W17-F20 HydrophobicContact CG-CD2 4.45Å; W17-F20 HydrophobicContact CG-CE2 4.08Å; W17-F20 AromaticContact NE1-CD2 3.81Å; W17-F20 AromaticContact NE1-CE2 3.54Å; W17-F20 WeakPolarHBondContact O-CD2 3.33Å
18	M	52.8	Low	58.1	Low	171 Å²	171	96.8 Å²	96.8	84%	0.842	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	1.2	-177.7	-61.6	-60.7	-96.5	0	0	113.9	S15 F20	S15-M18 PolarHBondContact O-N 3.41Å; M18-F20 VanDerWaalsContact C-N 3.32Å
19	A	53.1	Low	58.7	Low	83 Å²	83	95.5 Å²	95.5	69%	0.686	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	12.7	176.5	0	0	0	0	0	114.1	W17 A21	W17-A19 PolarHBondContact O-N 3.47Å; A19-A21 PolarHBondContact O-N 3.2Å
20	F	52.5	Low	58.9	Low	145 Å²	145	94.9 Å²	94.9	64%	0.636	54%	0.538	S	S	*	.			trans	-76.5	79.1	162.9	-64.7	-68.3	0	0	0	108.5	W17 M18 I22	W17-F20 AromaticContact CD1-CD2 3.6Å; W17-F20 AromaticContact CD1-CE2 3.54Å; W17-F20 HydrophobicContact CD2-CE2 4.48Å; W17-F20 HydrophobicContact CG-CD2 4.45Å; W17-F20 HydrophobicContact CG-CE2 4.08Å; W17-F20 AromaticContact NE1-CD2 3.81Å; W17-F20 AromaticContact NE1-CE2 3.54Å; W17-F20 WeakPolarHBondContact O-CD2 3.33Å; M18-F20 VanDerWaalsContact C-N 3.32Å; F20-I22 PolarHBondContact O-N 3.23Å
21	A	49.2	Very low	58.8	Low	71 Å²	71	95.9 Å²	95.9	59%	0.587	54%	0.539	S	S	*	.			trans	-51.5	115.3	166.6	0	0	0	0	0	108.2	A19 D23	A19-A21 PolarHBondContact O-N 3.2Å; A21-D23 HydrophobicContact CB-CB 4.47Å; A21-D23 PolarHBondContact O-N 2.69Å
22	I	54	Low	58.5	Low	159 Å²	159	104.1 Å²	104.1	82%	0.815	56%	0.56	S	S	*	*			trans	-77.5	48	165.9	-51.6	-70.5	0	0	0	107.4	F20	F20-I22 PolarHBondContact O-N 3.23Å
23	D	53.7	Low	58.6	Low	84 Å²	84	101 Å²	101	45%	0.449	56%	0.556	S	S	.	*			trans	-108.7	142.2	168.4	-72.6	-59.1	0	0	0	105.9	A21 P25 K56	A21-D23 HydrophobicContact CB-CB 4.47Å; A21-D23 PolarHBondContact O-N 2.69Å; D23-P25 VanDerWaalsContact C-CD 3.49Å; D23-P25 WeakPolarHBondContact O-CD 3.45Å; D23-K56 IonicContact OD1-NZ 2.78Å; D23-K56 PolarHBondContact OD1-NZ 3.22Å
24	F	62.9	Low	58.7	Low	22 Å²	22	98.9 Å²	98.9	10%	0.096	54%	0.535	C	S	.	.			trans	-87.6	99.3	157.9	174.9	-128.3	0	0	0	102.9	L26 E41 N45 L52 E72	F24-L26 HydrophobicContact CE1-CG 4.5Å; F24-L26 HydrophobicContact CE2-CD2 4.45Å; F24-L26 HydrophobicContact CZ-CD2 4.05Å; F24-L26 HydrophobicContact CZ-CG 4.49Å; F24-E41 HydrophobicContact CD2-CG 4.45Å; F24-E41 HydrophobicContact CE2-CG 3.86Å; F24-N45 HydrophobicContact CD2-CB 3.59Å; F24-N45 VanDerWaalsContact CD2-CG 3.47Å; F24-N45 WeakPolarHBondContact CD2-ND2 3.49Å; F24-N45 HydrophobicContact CE1-CB 4.45Å; F24-N45 HydrophobicContact CE2-CB 3.08Å; F24-N45 VanDerWaalsContact CE2-ND2 3.3Å; F24-N45 WeakPolarHBondContact CE2-ND2 3.3Å; F24-N45 HydrophobicContact CG-CB 4.41Å; F24-N45 HydrophobicContact CZ-CB 3.58Å; F24-L52 HydrophobicContact CB-CD1 4.03Å; F24-L52 HydrophobicContact CD1-CD1 3.75Å; F24-L52 HydrophobicContact CE1-CD1 4.49Å; F24-L52 HydrophobicContact CG-CD1 4.09Å; F24-E72 HydrophobicContact CD1-CB 3.87Å; F24-E72 WeakPolarHBondContact CD1-OE2 3.32Å; F24-E72 HydrophobicContact CE1-CB 3.74Å; F24-E72 WeakPolarHBondContact CE1-OE2 3.27Å; F24-E72 WeakPolarHBondContact CG-OE2 3.48Å; F24-E72 VanDerWaalsContact O-CD 3.3Å
25	P	69.2	Low	59.5	Low	81 Å²	81	97.8 Å²	97.8	53%	0.526	53%	0.526	S	S	.	.			trans	-104.6	111.2	173.1	30	-13.4	0	0	0	107	D23	D23-P25 VanDerWaalsContact C-CD 3.49Å; D23-P25 WeakPolarHBondContact O-CD 3.45Å
26	L	71.7	Confident	60.7	Low	3 Å²	3	96.5 Å²	96.5	2%	0.016	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-56.6	142.6	163.4	-71.6	177	0	0	0	109.3	F24 M28 T38 E41 I61 E72 L75 K88	F24-L26 HydrophobicContact CE1-CG 4.5Å; F24-L26 HydrophobicContact CE2-CD2 4.45Å; F24-L26 HydrophobicContact CZ-CD2 4.05Å; F24-L26 HydrophobicContact CZ-CG 4.49Å; L26-M28 PolarHBondContact O-N 3.4Å; L26-T38 HydrophobicContact CD2-CG2 4.3Å; L26-E41 HydrophobicContact CD2-CB 4.47Å; L26-E41 HydrophobicContact CD2-CG 4.27Å; L26-I61 HydrophobicContact CD1-CD1 4.39Å; L26-E72 HydrophobicContact CD1-CB 3.78Å; L26-E72 HydrophobicContact CD1-CG 4.07Å; L26-E72 HydrophobicContact CG-CB 4.12Å; L26-E72 HydrophobicContact CG-CG 4.23Å; L26-E72 WeakPolarHBondContact CG-OE2 3.35Å; L26-E72 PolarHBondContact N-OE1 3.46Å; L26-E72 PolarHBondContact N-OE2 2.85Å; L26-E72 VanDerWaalsContact N-OE2 3.16Å; L26-L75 HydrophobicContact CD1-CD2 3.82Å; L26-L75 HydrophobicContact CD1-CG 4.46Å; L26-K88 HydrophobicContact CB-CB 4.05Å; L26-K88 HydrophobicContact CB-CD 4.11Å; L26-K88 WeakPolarHBondContact O-CE 3.27Å; L26-K88 PolarHBondContact O-NZ 3.44Å
27	P	77.3	Confident	61.9	Low	39 Å²	39	94.9 Å²	94.9	25%	0.253	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-64.1	133.5	177.5	25.8	-33	0	0	0	110.4
28	M	70.2	Confident	63.7	Low	70 Å²	70	85.9 Å²	85.9	35%	0.345	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-72.3	133.7	174.1	-65.3	-60.8	179.5	0	0	110.4	L26 S30 Q34 K88 Y90 D91	L26-M28 PolarHBondContact O-N 3.4Å; M28-S30 VanDerWaalsContact C-N 3.3Å; M28-S30 PolarHBondContact O-N 3Å; M28-Q34 PolarHBondContact O-NE2 3.33Å; M28-Q34 PolarHBondContact O-OE1 3.06Å; M28-K88 HydrophobicContact CE-CD 4.08Å; M28-K88 VanDerWaalsContact CE-NZ 3.34Å; M28-K88 HydrophobicContact SD-CD 4.11Å; M28-K88 WeakPolarHBondContact SD-CE 3.33Å; M28-K88 HydrophobicContact SD-CG 4.02Å; M28-Y90 VanDerWaalsContact SD-CA 3.55Å; M28-D91 HydrophobicContact CE-CB 4.29Å; M28-D91 WeakPolarHBondContact CE-OD1 3.12Å; M28-D91 WeakPolarHBondContact CE-OD2 3.42Å
29	A	66.3	Low	65.5	Low	40 Å²	40	83 Å²	83	33%	0.331	46%	0.464	S	S	.	.	S	Bend	trans	-63.3	76.1	-176.3	0	0	0	0	0	113.9	Q34 T87 K88	A29-Q34 VanDerWaalsContact C-OE1 3.25Å; A29-T87 WeakPolarHBondContact CB-OG1 2.95Å; A29-K88 WeakPolarHBondContact CB-O 2.95Å; A29-K88 PolarHBondContact N-O 3.36Å
30	S	57.4	Low	67.4	Low	106 Å²	106	83.7 Å²	83.7	74%	0.741	46%	0.459	S	S	*	.			trans	-110.8	-9.1	177.7	-171.2	0	0	0	0	113.8	M28	M28-S30 VanDerWaalsContact C-N 3.3Å; M28-S30 PolarHBondContact O-N 3Å
31	E	52	Low	69.1	Low	155 Å²	155	78.9 Å²	78.9	72%	0.724	44%	0.439	S	S	*	.	S	Bend	trans	-142.8	143	-174.9	-67.7	-166.6	129.7	0	0	115	G33 Q34	E31-G33 VanDerWaalsContact C-N 3.27Å; E31-G33 PolarHBondContact O-N 3.11Å; E31-Q34 HydrophobicContact CB-CG 4.46Å; E31-Q34 VanDerWaalsContact O-CG 3.32Å; E31-Q34 WeakPolarHBondContact O-CG 3.4Å; E31-Q34 PolarHBondContact O-N 3.21Å; E31-Q34 PolarHBondContact O-OE1 3.3Å; E31-Q34 VanDerWaalsContact O-OE1 3.05Å
32	R	49.9	Very low	71.2	Confident	267 Å²	267	75.5 Å²	75.5	100%	1.008	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	76.6	-179.4	-173.4	178.7	-92.8	155.8	-7.3	109.9
33	G	57.4	Low	73	Confident	54 Å²	54	72.8 Å²	72.8	56%	0.557	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-179.5	-13.4	179.6	0	0	0	0	0	113.9	E31 L35	E31-G33 VanDerWaalsContact C-N 3.27Å; E31-G33 PolarHBondContact O-N 3.11Å; G33-L35 PolarHBondContact O-N 3.49Å
34	Q	61.7	Low	74.9	Confident	22 Å²	22	75.9 Å²	75.9	10%	0.103	41%	0.407	C	S	.	.	H	α-helix	trans	-74.8	-11.3	-163.6	-70	176.1	-61.4	0	0	116.9	M28 A29 E31 G36 E37 T38	M28-Q34 PolarHBondContact O-NE2 3.33Å; M28-Q34 PolarHBondContact O-OE1 3.06Å; A29-Q34 VanDerWaalsContact C-OE1 3.25Å; E31-Q34 HydrophobicContact CB-CG 4.46Å; E31-Q34 VanDerWaalsContact O-CG 3.32Å; E31-Q34 WeakPolarHBondContact O-CG 3.4Å; E31-Q34 PolarHBondContact O-N 3.21Å; E31-Q34 PolarHBondContact O-OE1 3.3Å; E31-Q34 VanDerWaalsContact O-OE1 3.05Å; Q34-G36 VanDerWaalsContact C-N 3.34Å; Q34-G36 PolarHBondContact O-N 3.17Å; Q34-E37 PolarHBondContact O-N 3.42Å; Q34-T38 VanDerWaalsContact O-CB 3.29Å; Q34-T38 WeakPolarHBondContact O-CB 3.48Å; Q34-T38 PolarHBondContact O-N 3.37Å; Q34-T38 PolarHBondContact O-OG1 3.37Å
35	L	75.2	Confident	76.1	Confident	66 Å²	66	76 Å²	76	35%	0.346	41%	0.408	S	S	.	.	H	α-helix	trans	-65	-40.1	178.1	179.1	64.1	0	0	0	111.6	G33 K39 N85	G33-L35 PolarHBondContact O-N 3.49Å; L35-K39 PolarHBondContact O-N 2.9Å; L35-N85 HydrophobicContact CD1-CB 4.02Å; L35-N85 HydrophobicContact CD2-CB 3.78Å
36	G	80.3	Confident	77.1	Confident	47 Å²	47	73.7 Å²	73.7	49%	0.485	39%	0.391	S	S	.	.	H	α-helix	trans	-66.9	-42.9	176.2	0	0	0	0	0	112	Q34 K39 V40	Q34-G36 VanDerWaalsContact C-N 3.34Å; Q34-G36 PolarHBondContact O-N 3.17Å; G36-K39 PolarHBondContact O-N 3.49Å; G36-V40 WeakPolarHBondContact O-CG2 3.47Å; G36-V40 PolarHBondContact O-N 3.07Å
37	E	82.3	Confident	78	Confident	118 Å²	118	79.8 Å²	79.8	55%	0.551	42%	0.424	S	S	*	.	H	α-helix	trans	-66.7	-42.5	179.3	-62.9	178.5	151.6	0	0	112.1	Q34 K39 V40 E41	Q34-E37 PolarHBondContact O-N 3.42Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 2.76Å; E37-V40 PolarHBondContact O-N 3.47Å; E37-E41 PolarHBondContact O-N 2.05Å
38	T	87.6	Confident	78.7	Confident	1 Å²	1	81.7 Å²	81.7	1%	0.006	43%	0.432	C	S	.	.	H	α-helix	trans	-59.3	-42.1	175.4	-55.8	0	0	0	0	110.6	L26 Q34 E41 C42 I79	L26-T38 HydrophobicContact CD2-CG2 4.3Å; Q34-T38 VanDerWaalsContact O-CB 3.29Å; Q34-T38 WeakPolarHBondContact O-CB 3.48Å; Q34-T38 PolarHBondContact O-N 3.37Å; Q34-T38 PolarHBondContact O-OG1 3.37Å; T38-E41 PolarHBondContact O-N 2.96Å; T38-C42 WeakPolarHBondContact O-CB 3.32Å; T38-C42 PolarHBondContact O-N 2.88Å; T38-C42 PolarHBondContact O-SG 3.5Å; T38-I79 HydrophobicContact CG2-CD1 3.7Å
39	K	91.8	Very high	79.6	Confident	111 Å²	111	79.2 Å²	79.2	48%	0.483	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-41.2	177.3	-170.6	172.6	-176.3	170.3	0	112.3	L35 G36 E37 C42 L43 L80	L35-K39 PolarHBondContact O-N 2.9Å; G36-K39 PolarHBondContact O-N 3.49Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 2.76Å; K39-C42 PolarHBondContact O-N 2.97Å; K39-L43 HydrophobicContact CG-CD1 4.38Å; K39-L43 VanDerWaalsContact O-CG 3.29Å; K39-L43 WeakPolarHBondContact O-CG 3.29Å; K39-L43 PolarHBondContact O-N 2.7Å; K39-L80 HydrophobicContact CG-CD2 3.91Å
40	V	92.6	Very high	80.8	Confident	96 Å²	96	86.8 Å²	86.8	58%	0.582	44%	0.441	S	S	*	.	H	α-helix	trans	-62.1	-45.4	176.3	170.3	0	0	0	0	110.9	G36 E37 L43 K44	G36-V40 WeakPolarHBondContact O-CG2 3.47Å; G36-V40 PolarHBondContact O-N 3.07Å; E37-V40 PolarHBondContact O-N 3.47Å; V40-L43 PolarHBondContact O-N 2.91Å; V40-K44 PolarHBondContact O-N 2.88Å; V40-K44 VanDerWaalsContact O-N 3.1Å
41	E	89.4	Confident	82.3	Confident	45 Å²	45	86.7 Å²	86.7	21%	0.21	43%	0.428	C	S	.	.	H	α-helix	trans	-66.8	-42.1	179.4	-169.6	54.5	-144.2	0	0	111.7	F24 L26 E37 T38 L43 K44 N45	F24-E41 HydrophobicContact CD2-CG 4.45Å; F24-E41 HydrophobicContact CE2-CG 3.86Å; L26-E41 HydrophobicContact CD2-CB 4.47Å; L26-E41 HydrophobicContact CD2-CG 4.27Å; E37-E41 PolarHBondContact O-N 2.05Å; T38-E41 PolarHBondContact O-N 2.96Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.15Å; E41-K44 WeakPolarHBondContact O-CB 3.45Å; E41-K44 PolarHBondContact O-N 2.86Å; E41-N45 PolarHBondContact O-N 2.93Å; E41-N45 PolarHBondContact OE1-ND2 3.48Å; E41-N45 PolarHBondContact OE1-OD1 2.78Å
42	C	92.1	Very high	83.8	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-57.6	-45.9	172.7	-73.4	0	0	0	0	112	T38 K39 K44 N45 I46 C76 L80	T38-C42 WeakPolarHBondContact O-CB 3.32Å; T38-C42 PolarHBondContact O-N 2.88Å; T38-C42 PolarHBondContact O-SG 3.5Å; K39-C42 PolarHBondContact O-N 2.97Å; C42-K44 VanDerWaalsContact C-N 3.29Å; C42-K44 PolarHBondContact O-N 3.46Å; C42-N45 PolarHBondContact O-N 2.9Å; C42-I46 VanDerWaalsContact O-CB 3.27Å; C42-I46 WeakPolarHBondContact O-CB 3.15Å; C42-I46 PolarHBondContact O-N 3.35Å; C42-C76 WeakPolarHBondContact CA-SG 3.27Å; C42-C76 HydrophobicContact CB-CB 3.63Å; C42-C76 WeakPolarHBondContact CB-SG 3.5Å; C42-C76 WeakPolarHBondContact SG-CA 3.05Å; C42-C76 WeakPolarHBondContact SG-CB 3.41Å; C42-C76 CovalentContact SG-SG 2.05Å; C42-C76 PolarHBondContact SG-SG 3.11Å; C42-L80 HydrophobicContact CB-CD1 3.83Å; C42-L80 HydrophobicContact CB-CD2 4.15Å; C42-L80 HydrophobicContact CB-CG 3.98Å
43	L	93	Very high	85.5	Confident	101 Å²	101	71.4 Å²	71.4	53%	0.529	38%	0.375	S	S	.	.	H	α-helix	trans	-61.3	-37.7	179	-76.2	168.2	0	0	0	112.5	K39 V40 E41 N45 L80	K39-L43 HydrophobicContact CG-CD1 4.38Å; K39-L43 VanDerWaalsContact O-CG 3.29Å; K39-L43 WeakPolarHBondContact O-CG 3.29Å; K39-L43 PolarHBondContact O-N 2.7Å; V40-L43 PolarHBondContact O-N 2.91Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.15Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 2.85Å; L43-L80 HydrophobicContact CD2-CD1 4.17Å; L43-L80 HydrophobicContact CD2-CD2 3.86Å; L43-L80 HydrophobicContact CG-CD1 4.47Å; L43-L80 HydrophobicContact CG-CD2 3.83Å
44	K	92.1	Very high	87	Confident	150 Å²	150	77.8 Å²	77.8	65%	0.652	38%	0.384	S	S	*	.	H	α-helix	trans	-66.4	-33.8	-179.7	-171	-171.6	171.6	-170.4	0	112.1	V40 E41 C42	V40-K44 PolarHBondContact O-N 2.88Å; V40-K44 VanDerWaalsContact O-N 3.1Å; E41-K44 WeakPolarHBondContact O-CB 3.45Å; E41-K44 PolarHBondContact O-N 2.86Å; C42-K44 VanDerWaalsContact C-N 3.29Å; C42-K44 PolarHBondContact O-N 3.46Å
45	N	87.9	Confident	88.3	Confident	24 Å²	24	81.3 Å²	81.3	13%	0.128	40%	0.402	C	S	.	.	H	α-helix	trans	-118.3	-7.3	-165.5	-69.8	36.7	0	0	0	114.8	F24 E41 C42 L43 N47 N48	F24-N45 HydrophobicContact CD2-CB 3.59Å; F24-N45 VanDerWaalsContact CD2-CG 3.47Å; F24-N45 WeakPolarHBondContact CD2-ND2 3.49Å; F24-N45 HydrophobicContact CE1-CB 4.45Å; F24-N45 HydrophobicContact CE2-CB 3.08Å; F24-N45 VanDerWaalsContact CE2-ND2 3.3Å; F24-N45 WeakPolarHBondContact CE2-ND2 3.3Å; F24-N45 HydrophobicContact CG-CB 4.41Å; F24-N45 HydrophobicContact CZ-CB 3.58Å; E41-N45 PolarHBondContact O-N 2.93Å; E41-N45 PolarHBondContact OE1-ND2 3.48Å; E41-N45 PolarHBondContact OE1-OD1 2.78Å; C42-N45 PolarHBondContact O-N 2.9Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 2.85Å; N45-N47 PolarHBondContact O-N 3.27Å; N45-N47 VanDerWaalsContact O-N 3.11Å; N45-N48 WeakPolarHBondContact O-CB 3.31Å; N45-N48 PolarHBondContact O-N 3.16Å
46	I	91.3	Very high	88.8	Confident	33 Å²	33	81.1 Å²	81.1	17%	0.169	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-55.1	-33.9	-178.4	-167.6	65.3	0	0	0	113.1	C42 N48 C49 C76 L80 F81	C42-I46 VanDerWaalsContact O-CB 3.27Å; C42-I46 WeakPolarHBondContact O-CB 3.15Å; C42-I46 PolarHBondContact O-N 3.35Å; I46-N48 PolarHBondContact O-N 3.45Å; I46-C49 VanDerWaalsContact O-CB 3.27Å; I46-C49 WeakPolarHBondContact O-CB 3.29Å; I46-C49 PolarHBondContact O-N 3Å; I46-C49 PolarHBondContact O-SG 3.27Å; I46-C76 HydrophobicContact CD1-CB 4.14Å; I46-L80 HydrophobicContact CB-CD1 4.05Å; I46-L80 HydrophobicContact CD1-CD1 4.34Å; I46-L80 HydrophobicContact CG1-CD1 4.1Å; I46-L80 HydrophobicContact CG2-CD1 4.29Å; I46-F81 HydrophobicContact CD1-CE2 4.24Å; I46-F81 HydrophobicContact CG1-CE2 4.21Å; I46-F81 HydrophobicContact CG1-CZ 4.3Å
47	N	91	Very high	88.8	Confident	130 Å²	130	83.8 Å²	83.8	70%	0.695	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-71	-18.3	178.2	-66.1	-50.5	0	0	0	113.3	N45 C49 W50	N45-N47 PolarHBondContact O-N 3.27Å; N45-N47 VanDerWaalsContact O-N 3.11Å; N47-C49 VanDerWaalsContact C-N 3.34Å; N47-W50 VanDerWaalsContact O-CD1 3.24Å
48	N	90.5	Very high	89	Confident	80 Å²	80	82.5 Å²	82.5	43%	0.428	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-89.6	-2	176.4	-63.4	-31.7	0	0	0	112.4	N45 I46 W50 F51 L52	N45-N48 WeakPolarHBondContact O-CB 3.31Å; N45-N48 PolarHBondContact O-N 3.16Å; I46-N48 PolarHBondContact O-N 3.45Å; N48-W50 PolarHBondContact O-N 2.05Å; N48-F51 WeakPolarHBondContact O-CB 3.42Å; N48-F51 PolarHBondContact O-N 3.27Å; N48-L52 PolarHBondContact O-N 3.5Å
49	C	90.4	Very high	89.2	Confident	17 Å²	17	86.3 Å²	86.3	12%	0.115	43%	0.429	C	S	.	.	H	α-helix	trans	-61.8	-26.5	-178.1	-76.6	0	0	0	0	113.8	I46 N47 S53 C73	I46-C49 VanDerWaalsContact O-CB 3.27Å; I46-C49 WeakPolarHBondContact O-CB 3.29Å; I46-C49 PolarHBondContact O-N 3Å; I46-C49 PolarHBondContact O-SG 3.27Å; N47-C49 VanDerWaalsContact C-N 3.34Å; C49-S53 VanDerWaalsContact O-CB 3.28Å; C49-S53 WeakPolarHBondContact O-CB 3.35Å; C49-S53 PolarHBondContact O-N 3.47Å; C49-S53 PolarHBondContact O-OG 3.19Å; C49-C73 WeakPolarHBondContact CA-SG 3.41Å; C49-C73 HydrophobicContact CB-CB 3.67Å; C49-C73 WeakPolarHBondContact CB-SG 3.43Å; C49-C73 WeakPolarHBondContact SG-CB 3.42Å; C49-C73 CovalentContact SG-SG 2.04Å; C49-C73 PolarHBondContact SG-SG 3.17Å
50	W	90	Very high	89.3	Confident	200 Å²	200	83 Å²	83	76%	0.758	42%	0.419	S	S	*	.	H	α-helix	trans	-62.9	-43.4	171.6	84.2	-72.6	0	0	0	111.7	N47 N48 Y54	N47-W50 VanDerWaalsContact O-CD1 3.24Å; N48-W50 PolarHBondContact O-N 2.05Å; W50-Y54 PolarHBondContact O-N 2.93Å
51	F	89.8	Confident	89.4	Confident	104 Å²	104	78.5 Å²	78.5	46%	0.456	39%	0.392	S	S	.	.	H	α-helix	trans	-72	-42.4	178.5	177.5	-100.8	0	0	0	111.3	N48 S53 Y54 I55	N48-F51 WeakPolarHBondContact O-CB 3.42Å; N48-F51 PolarHBondContact O-N 3.27Å; F51-S53 VanDerWaalsContact C-N 3.33Å; F51-S53 PolarHBondContact O-N 2.94Å; F51-Y54 WeakPolarHBondContact O-CB 3.24Å; F51-Y54 PolarHBondContact O-N 2.89Å; F51-Y54 VanDerWaalsContact O-N 3.11Å; F51-I55 HydrophobicContact CE1-CG1 4.02Å; F51-I55 HydrophobicContact CE2-CD1 4.37Å; F51-I55 HydrophobicContact CE2-CG1 4.03Å; F51-I55 HydrophobicContact CZ-CD1 4.29Å; F51-I55 HydrophobicContact CZ-CG1 3.76Å; F51-I55 PolarHBondContact O-N 2.92Å; F51-I55 VanDerWaalsContact O-N 3.13Å
52	L	83.9	Confident	89.7	Confident	40 Å²	40	76.3 Å²	76.3	21%	0.209	38%	0.382	C	S	.	.	H	α-helix	trans	-63.4	-39.5	176.6	-66.9	176.5	0	0	0	111.8	F24 N48 Y54 I55 K56	F24-L52 HydrophobicContact CB-CD1 4.03Å; F24-L52 HydrophobicContact CD1-CD1 3.75Å; F24-L52 HydrophobicContact CE1-CD1 4.49Å; F24-L52 HydrophobicContact CG-CD1 4.09Å; N48-L52 PolarHBondContact O-N 3.5Å; L52-Y54 PolarHBondContact O-N 3.26Å; L52-I55 PolarHBondContact O-N 3.42Å; L52-K56 CarbonylContact O-C 3.43Å; L52-K56 WeakPolarHBondContact O-CA 3.4Å; L52-K56 PolarHBondContact O-N 3.37Å
53	S	85.4	Confident	89.8	Confident	60 Å²	60	76.3 Å²	76.3	42%	0.42	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-28.2	175.3	-58.3	0	0	0	0	112.6	C49 F51 P57	C49-S53 VanDerWaalsContact O-CB 3.28Å; C49-S53 WeakPolarHBondContact O-CB 3.35Å; C49-S53 PolarHBondContact O-N 3.47Å; C49-S53 PolarHBondContact O-OG 3.19Å; F51-S53 VanDerWaalsContact C-N 3.33Å; F51-S53 PolarHBondContact O-N 2.94Å; S53-P57 WeakPolarHBondContact O-CA 3.39Å
54	Y	88	Confident	89.8	Confident	188 Å²	188	73.9 Å²	73.9	74%	0.737	37%	0.373	S	S	*	.	H	α-helix	trans	-76.6	-42.3	177.2	176.9	-101.7	0	0	0	112.5	W50 F51 L52	W50-Y54 PolarHBondContact O-N 2.93Å; F51-Y54 WeakPolarHBondContact O-CB 3.24Å; F51-Y54 PolarHBondContact O-N 2.89Å; F51-Y54 VanDerWaalsContact O-N 3.11Å; L52-Y54 PolarHBondContact O-N 3.26Å
55	I	89.2	Confident	90	Very high	96 Å²	96	69.6 Å²	69.6	49%	0.492	36%	0.357	S	S	.	.	H	α-helix	trans	-85.9	-32.8	-177	-57.1	-65.4	0	0	0	112.3	F51 L52	F51-I55 HydrophobicContact CE1-CG1 4.02Å; F51-I55 HydrophobicContact CE2-CD1 4.37Å; F51-I55 HydrophobicContact CE2-CG1 4.03Å; F51-I55 HydrophobicContact CZ-CD1 4.29Å; F51-I55 HydrophobicContact CZ-CG1 3.76Å; F51-I55 PolarHBondContact O-N 2.92Å; F51-I55 VanDerWaalsContact O-N 3.13Å; L52-I55 PolarHBondContact O-N 3.42Å
56	K	86.6	Confident	90.3	Very high	63 Å²	63	75.2 Å²	75.2	27%	0.274	38%	0.381	S	S	.	.			trans	-132.9	75.7	-175.3	-76.1	173.1	159	-146.9	0	109.9	D23 L52 S58 E59	D23-K56 IonicContact OD1-NZ 2.78Å; D23-K56 PolarHBondContact OD1-NZ 3.22Å; L52-K56 CarbonylContact O-C 3.43Å; L52-K56 WeakPolarHBondContact O-CA 3.4Å; L52-K56 PolarHBondContact O-N 3.37Å; K56-S58 VanDerWaalsContact C-N 3.32Å; K56-S58 PolarHBondContact O-N 3.1Å; K56-E59 HydrophobicContact CB-CG 4.17Å; K56-E59 VanDerWaalsContact CD-CD 3.43Å; K56-E59 WeakPolarHBondContact CD-OE1 3.31Å; K56-E59 WeakPolarHBondContact CD-OE2 3.32Å; K56-E59 WeakPolarHBondContact CE-OE1 3.39Å; K56-E59 HydrophobicContact CG-CG 4.45Å; K56-E59 WeakPolarHBondContact CG-OE1 3.49Å; K56-E59 IonicContact NZ-OE1 3.18Å; K56-E59 PolarHBondContact NZ-OE1 3.31Å; K56-E59 IonicContact NZ-OE2 2.81Å; K56-E59 PolarHBondContact NZ-OE2 3Å
57	P	80.9	Confident	90.5	Very high	102 Å²	102	77 Å²	77	66%	0.662	39%	0.393	S	S	*	.	S	Bend	trans	-70.3	-22.5	-172.2	26.3	-34.8	0	0	0	114.4	S53	S53-P57 WeakPolarHBondContact O-CA 3.39Å
58	S	86.3	Confident	90.8	Very high	92 Å²	92	73.6 Å²	73.6	64%	0.643	38%	0.377	S	S	*	.			trans	-148.4	94.9	-179.2	61.7	0	0	0	0	111.5	K56	K56-S58 VanDerWaalsContact C-N 3.32Å; K56-S58 PolarHBondContact O-N 3.1Å
59	E	90.9	Very high	91	Very high	80 Å²	80	70.7 Å²	70.7	37%	0.374	36%	0.36	S	S	.	.			trans	-125.9	82	172.8	-72.2	-166.6	163.7	0	0	107.7	K56 S70 S71	K56-E59 HydrophobicContact CB-CG 4.17Å; K56-E59 VanDerWaalsContact CD-CD 3.43Å; K56-E59 WeakPolarHBondContact CD-OE1 3.31Å; K56-E59 WeakPolarHBondContact CD-OE2 3.32Å; K56-E59 WeakPolarHBondContact CE-OE1 3.39Å; K56-E59 HydrophobicContact CG-CG 4.45Å; K56-E59 WeakPolarHBondContact CG-OE1 3.49Å; K56-E59 IonicContact NZ-OE1 3.18Å; K56-E59 PolarHBondContact NZ-OE1 3.31Å; K56-E59 IonicContact NZ-OE2 2.81Å; K56-E59 PolarHBondContact NZ-OE2 3Å; E59-S70 CarbonylContact C-O 3.39Å; E59-S70 PolarHBondContact N-O 3.4Å; E59-S71 VanDerWaalsContact O-CA 3.31Å; E59-S71 WeakPolarHBondContact O-CA 3.37Å
60	P	94.6	Very high	91.2	Very high	41 Å²	41	73.4 Å²	73.4	27%	0.266	38%	0.379	S	S	.	.			trans	-61.8	144.8	-175.2	26.5	-33.6	0	0	0	110	T68 Y69 G92 Q93	P60-T68 HydrophobicContact CB-CG2 4.03Å; P60-Y69 CarbonylContact C-O 3.49Å; P60-Y69 VanDerWaalsContact CA-O 3.27Å; P60-Y69 WeakPolarHBondContact CA-O 3.35Å; P60-G92 CarbonylContact C-O 3.54Å; P60-G92 CarbonylContact O-C 3.45Å; P60-G92 WeakPolarHBondContact O-CA 3.43Å; P60-G92 PolarHBondContact O-N 3.28Å; P60-Q93 HydrophobicContact CB-CG 3.8Å; P60-Q93 HydrophobicContact CG-CG 3.92Å
61	I	94.1	Very high	91.3	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.5	173.3	61.8	161.7	0	0	0	110	L26 T68 Y69 E72 L75 K88 G92	L26-I61 HydrophobicContact CD1-CD1 4.39Å; I61-T68 WeakPolarHBondContact O-CA 3.28Å; I61-Y69 PolarHBondContact N-O 3.48Å; I61-Y69 PolarHBondContact O-N 2.04Å; I61-E72 HydrophobicContact CD1-CG 4.18Å; I61-E72 HydrophobicContact CG2-CG 4.19Å; I61-L75 HydrophobicContact CD1-CB 3.74Å; I61-L75 HydrophobicContact CD1-CD2 3.45Å; I61-L75 VanDerWaalsContact CD1-CD2 3.45Å; I61-L75 HydrophobicContact CD1-CG 4.21Å; I61-K88 HydrophobicContact CB-CD 4.08Å; I61-K88 HydrophobicContact CB-CG 4.31Å; I61-K88 HydrophobicContact CD1-CB 4.47Å; I61-K88 HydrophobicContact CD1-CD 3.96Å; I61-K88 HydrophobicContact CD1-CG 4.07Å; I61-K88 HydrophobicContact CG2-CD 3.92Å; I61-G92 CarbonylContact C-O 3.52Å; I61-G92 WeakPolarHBondContact CA-O 3.38Å; I61-G92 PolarHBondContact N-O 3.46Å
62	C	95.9	Very high	91.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125	173.6	-172.7	0	0	0	0	109.4	L89 Y90 G92 C94	C62-L89 HydrophobicContact CB-CB 4.47Å; C62-L89 WeakPolarHBondContact O-CA 3.37Å; C62-L89 VanDerWaalsContact O-CB 3.3Å; C62-L89 WeakPolarHBondContact O-CB 2.95Å; C62-L89 PolarHBondContact O-N 2.74Å; C62-Y90 HydrophobicContact CB-CD1 4.32Å; C62-Y90 HydrophobicContact CB-CD2 3.69Å; C62-Y90 HydrophobicContact CB-CE1 4.03Å; C62-Y90 HydrophobicContact CB-CE2 3.39Å; C62-Y90 HydrophobicContact CB-CG 4.16Å; C62-Y90 PolarHBondContact N-O 3.22Å; C62-Y90 PolarHBondContact O-N 2.78Å; C62-G92 PolarHBondContact N-O 3.42Å; C62-C94 WeakPolarHBondContact CA-SG 3.14Å; C62-C94 HydrophobicContact CB-CB 4.05Å; C62-C94 WeakPolarHBondContact CB-SG 3.5Å; C62-C94 WeakPolarHBondContact SG-CA 3.18Å; C62-C94 WeakPolarHBondContact SG-CB 3.45Å; C62-C94 CovalentContact SG-SG 2.05Å; C62-C94 PolarHBondContact SG-SG 3.37Å
63	G	94.3	Very high	91.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	161.4	172.8	0	0	0	0	0	112.6	D65 K66 V67 T87	G63-D65 WeakPolarHBondContact CA-OD1 3.4Å; G63-D65 PolarHBondContact O-N 3.2Å; G63-D65 VanDerWaalsContact O-N 3.15Å; G63-K66 PolarHBondContact O-N 2.93Å; G63-V67 PolarHBondContact N-O 2.68Å; G63-T87 CarbonylContact C-O 3.56Å; G63-T87 WeakPolarHBondContact CA-O 3.29Å
64	S	93.5	Very high	92.4	Very high	49 Å²	49	60.8 Å²	60.8	34%	0.343	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.3	173.4	61.6	0	0	0	0	113.3	K66 I86 T87	S64-K66 VanDerWaalsContact C-N 3.28Å; S64-I86 WeakPolarHBondContact OG-CG2 3.11Å; S64-T87 WeakPolarHBondContact CB-OG1 3.33Å; S64-T87 PolarHBondContact N-O 3.41Å; S64-T87 PolarHBondContact OG-N 2.7Å
65	D	94.6	Very high	92.7	Very high	61 Å²	61	51.8 Å²	51.8	33%	0.326	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4.5	173.6	65.4	-20.6	0	0	0	113.6	G63 V67 Y69 I86	G63-D65 WeakPolarHBondContact CA-OD1 3.4Å; G63-D65 PolarHBondContact O-N 3.2Å; G63-D65 VanDerWaalsContact O-N 3.15Å; D65-V67 PolarHBondContact O-N 3.42Å; D65-V67 PolarHBondContact OD1-N 3.45Å; D65-V67 WeakPolarHBondContact OD2-CB 3.49Å; D65-V67 WeakPolarHBondContact OD2-CG2 3.44Å; D65-Y69 PolarHBondContact OD2-OH 2.86Å; D65-I86 HydrophobicContact CB-CD1 4.32Å; D65-I86 HydrophobicContact CB-CG1 4.31Å; D65-I86 HydrophobicContact CB-CG2 4.41Å; D65-I86 VanDerWaalsContact OD2-CD1 3.31Å; D65-I86 WeakPolarHBondContact OD2-CD1 3.28Å
66	K	95.1	Very high	92.9	Very high	141 Å²	141	47.2 Å²	47.2	61%	0.613	27%	0.266	S	S	*	.	S	Bend	trans	63.7	21.6	-177.1	-51.6	-61.4	-173.3	173.9	0	113.8	G63 S64 L89 C94	G63-K66 PolarHBondContact O-N 2.93Å; S64-K66 VanDerWaalsContact C-N 3.28Å; K66-L89 HydrophobicContact CD-CD2 4.24Å; K66-L89 VanDerWaalsContact NZ-CD2 3.28Å; K66-C94 PolarHBondContact O-SG 3.16Å
67	V	95.8	Very high	93.3	Very high	70 Å²	70	46.3 Å²	46.3	42%	0.424	27%	0.268	S	S	.	.			trans	-98.2	136	172	178.9	0	0	0	0	109.5	G63 D65 Y69 C94	G63-V67 PolarHBondContact N-O 2.68Å; D65-V67 PolarHBondContact O-N 3.42Å; D65-V67 PolarHBondContact OD1-N 3.45Å; D65-V67 WeakPolarHBondContact OD2-CB 3.49Å; D65-V67 WeakPolarHBondContact OD2-CG2 3.44Å; V67-Y69 HydrophobicContact CB-CE2 3.87Å; V67-Y69 HydrophobicContact CG1-CE1 4.33Å; V67-Y69 HydrophobicContact CG1-CE2 4.09Å; V67-Y69 VanDerWaalsContact O-CD2 3.28Å; V67-Y69 WeakPolarHBondContact O-CD2 3.03Å; V67-Y69 WeakPolarHBondContact O-CE2 3.37Å; V67-C94 VanDerWaalsContact C-SG 3.5Å; V67-C94 PolarHBondContact O-SG 3.29Å
68	T	96.1	Very high	94	Very high	59 Å²	59	44.8 Å²	44.8	36%	0.362	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.1	171.9	-61.2	0	0	0	0	109.7	P60 I61 Q93 C94	P60-T68 HydrophobicContact CB-CG2 4.03Å; I61-T68 WeakPolarHBondContact O-CA 3.28Å; T68-Q93 HydrophobicContact CG2-CB 4.02Å; T68-Q93 HydrophobicContact CG2-CG 3.93Å; T68-C94 PolarHBondContact OG1-N 3.16Å
69	Y	95.1	Very high	94.4	Very high	20 Å²	20	40.7 Å²	40.7	8%	0.078	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.8	172.7	-63.2	-85.5	0	0	0	109.6	P60 I61 D65 V67 S71 L75 K78 I86	P60-Y69 CarbonylContact C-O 3.49Å; P60-Y69 VanDerWaalsContact CA-O 3.27Å; P60-Y69 WeakPolarHBondContact CA-O 3.35Å; I61-Y69 PolarHBondContact N-O 3.48Å; I61-Y69 PolarHBondContact O-N 2.04Å; D65-Y69 PolarHBondContact OD2-OH 2.86Å; V67-Y69 HydrophobicContact CB-CE2 3.87Å; V67-Y69 HydrophobicContact CG1-CE1 4.33Å; V67-Y69 HydrophobicContact CG1-CE2 4.09Å; V67-Y69 VanDerWaalsContact O-CD2 3.28Å; V67-Y69 WeakPolarHBondContact O-CD2 3.03Å; V67-Y69 WeakPolarHBondContact O-CE2 3.37Å; Y69-S71 PolarHBondContact O-N 2.9Å; Y69-S71 VanDerWaalsContact O-N 3.15Å; Y69-L75 HydrophobicContact CD1-CB 4.38Å; Y69-L75 HydrophobicContact CD1-CD1 4.45Å; Y69-L75 HydrophobicContact CD2-CB 4.31Å; Y69-L75 HydrophobicContact CD2-CD1 3.8Å; Y69-L75 HydrophobicContact CE1-CD1 4.36Å; Y69-L75 HydrophobicContact CE2-CD1 3.68Å; Y69-L75 HydrophobicContact CG-CB 4Å; Y69-L75 HydrophobicContact CG-CD1 4.19Å; Y69-K78 HydrophobicContact CD1-CG 4.29Å; Y69-K78 HydrophobicContact CE1-CB 4.4Å; Y69-K78 HydrophobicContact CE1-CG 3.77Å; Y69-I86 HydrophobicContact CE2-CG2 4.45Å; Y69-I86 VanDerWaalsContact OH-CD1 3.29Å; Y69-I86 WeakPolarHBondContact OH-CD1 3.3Å
70	S	94.6	Very high	94.7	Very high	74 Å²	74	38.7 Å²	38.7	52%	0.517	21%	0.213	S	C	.	.	S	Bend	trans	-63.5	-21.8	-175.2	-50.7	0	0	0	0	114.4	E59	E59-S70 CarbonylContact C-O 3.39Å; E59-S70 PolarHBondContact N-O 3.4Å
71	S	93.1	Very high	94.7	Very high	15 Å²	15	43.7 Å²	43.7	11%	0.105	23%	0.231	C	C	.	.	S	Bend	trans	-163.3	168.1	171.9	66.2	0	0	0	0	111.6	E59 Y69 C73 H74 L75	E59-S71 VanDerWaalsContact O-CA 3.31Å; E59-S71 WeakPolarHBondContact O-CA 3.37Å; Y69-S71 PolarHBondContact O-N 2.9Å; Y69-S71 VanDerWaalsContact O-N 3.15Å; S71-C73 PolarHBondContact O-N 3.11Å; S71-H74 WeakPolarHBondContact O-CB 3.48Å; S71-H74 PolarHBondContact O-N 3.21Å; S71-H74 PolarHBondContact OG-N 3.33Å; S71-H74 PolarHBondContact OG-ND1 3.36Å; S71-L75 PolarHBondContact O-N 3.18Å; S71-L75 VanDerWaalsContact O-N 3.16Å
72	E	92.4	Very high	94.7	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.075	26%	0.255	C	S	.	.	H	α-helix	trans	-56.2	-35.4	171.9	-60.6	-159.1	152.3	0	0	112.7	F24 L26 I61 H74 L75 C76 K88	F24-E72 HydrophobicContact CD1-CB 3.87Å; F24-E72 WeakPolarHBondContact CD1-OE2 3.32Å; F24-E72 HydrophobicContact CE1-CB 3.74Å; F24-E72 WeakPolarHBondContact CE1-OE2 3.27Å; F24-E72 WeakPolarHBondContact CG-OE2 3.48Å; F24-E72 VanDerWaalsContact O-CD 3.3Å; L26-E72 HydrophobicContact CD1-CB 3.78Å; L26-E72 HydrophobicContact CD1-CG 4.07Å; L26-E72 HydrophobicContact CG-CB 4.12Å; L26-E72 HydrophobicContact CG-CG 4.23Å; L26-E72 WeakPolarHBondContact CG-OE2 3.35Å; L26-E72 PolarHBondContact N-OE1 3.46Å; L26-E72 PolarHBondContact N-OE2 2.85Å; L26-E72 VanDerWaalsContact N-OE2 3.16Å; I61-E72 HydrophobicContact CD1-CG 4.18Å; I61-E72 HydrophobicContact CG2-CG 4.19Å; E72-H74 VanDerWaalsContact C-N 3.33Å; E72-H74 PolarHBondContact O-N 3.28Å; E72-L75 PolarHBondContact O-N 2.78Å; E72-C76 WeakPolarHBondContact O-CB 3.48Å; E72-C76 PolarHBondContact O-N 3.36Å; E72-K88 WeakPolarHBondContact OE1-CE 3.42Å; E72-K88 IonicContact OE1-NZ 2.62Å; E72-K88 PolarHBondContact OE1-NZ 3.48Å
73	C	94	Very high	94.5	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.081	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-37	174.1	-78.6	0	0	0	0	113	C49 S71 S77	C49-C73 WeakPolarHBondContact CA-SG 3.41Å; C49-C73 HydrophobicContact CB-CB 3.67Å; C49-C73 WeakPolarHBondContact CB-SG 3.43Å; C49-C73 WeakPolarHBondContact SG-CB 3.42Å; C49-C73 CovalentContact SG-SG 2.04Å; C49-C73 PolarHBondContact SG-SG 3.17Å; S71-C73 PolarHBondContact O-N 3.11Å; C73-S77 WeakPolarHBondContact O-CB 3.42Å; C73-S77 PolarHBondContact O-N 3.45Å
74	H	94.2	Very high	94.4	Very high	95 Å²	95	54.1 Å²	54.1	44%	0.44	30%	0.295	S	S	.	.	H	α-helix	trans	-66.9	-42.9	174.6	-72.4	90	0	0	0	111.1	S71 E72 S77 K78	S71-H74 WeakPolarHBondContact O-CB 3.48Å; S71-H74 PolarHBondContact O-N 3.21Å; S71-H74 PolarHBondContact OG-N 3.33Å; S71-H74 PolarHBondContact OG-ND1 3.36Å; E72-H74 VanDerWaalsContact C-N 3.33Å; E72-H74 PolarHBondContact O-N 3.28Å; H74-S77 WeakPolarHBondContact O-CB 3.04Å; H74-S77 PolarHBondContact O-N 2.97Å; H74-K78 WeakPolarHBondContact O-CG 3.45Å; H74-K78 PolarHBondContact O-N 2.93Å
75	L	94.9	Very high	94.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-46.2	174.6	177.2	63.9	0	0	0	111.6	L26 I61 Y69 S71 E72 S77 K78 I79 I86 K88	L26-L75 HydrophobicContact CD1-CD2 3.82Å; L26-L75 HydrophobicContact CD1-CG 4.46Å; I61-L75 HydrophobicContact CD1-CB 3.74Å; I61-L75 HydrophobicContact CD1-CD2 3.45Å; I61-L75 VanDerWaalsContact CD1-CD2 3.45Å; I61-L75 HydrophobicContact CD1-CG 4.21Å; Y69-L75 HydrophobicContact CD1-CB 4.38Å; Y69-L75 HydrophobicContact CD1-CD1 4.45Å; Y69-L75 HydrophobicContact CD2-CB 4.31Å; Y69-L75 HydrophobicContact CD2-CD1 3.8Å; Y69-L75 HydrophobicContact CE1-CD1 4.36Å; Y69-L75 HydrophobicContact CE2-CD1 3.68Å; Y69-L75 HydrophobicContact CG-CB 4Å; Y69-L75 HydrophobicContact CG-CD1 4.19Å; S71-L75 PolarHBondContact O-N 3.18Å; S71-L75 VanDerWaalsContact O-N 3.16Å; E72-L75 PolarHBondContact O-N 2.78Å; L75-S77 VanDerWaalsContact C-N 3.3Å; L75-S77 PolarHBondContact O-N 3.26Å; L75-K78 WeakPolarHBondContact O-CB 3.12Å; L75-K78 PolarHBondContact O-N 3.13Å; L75-K78 VanDerWaalsContact O-N 3.11Å; L75-I79 HydrophobicContact CD1-CD1 4.17Å; L75-I79 HydrophobicContact CD1-CG1 4.42Å; L75-I79 HydrophobicContact CD2-CD1 4.5Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 3.07Å; L75-I86 HydrophobicContact CD1-CB 4.04Å; L75-I86 HydrophobicContact CD1-CG2 3.61Å; L75-K88 HydrophobicContact CD2-CB 4.13Å
76	C	94.4	Very high	94.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-37.6	176.7	-78.1	0	0	0	0	113	C42 I46 E72 K78 I79 L80	C42-C76 WeakPolarHBondContact CA-SG 3.27Å; C42-C76 HydrophobicContact CB-CB 3.63Å; C42-C76 WeakPolarHBondContact CB-SG 3.5Å; C42-C76 WeakPolarHBondContact SG-CA 3.05Å; C42-C76 WeakPolarHBondContact SG-CB 3.41Å; C42-C76 CovalentContact SG-SG 2.05Å; C42-C76 PolarHBondContact SG-SG 3.11Å; I46-C76 HydrophobicContact CD1-CB 4.14Å; E72-C76 WeakPolarHBondContact O-CB 3.48Å; E72-C76 PolarHBondContact O-N 3.36Å; C76-K78 VanDerWaalsContact C-N 3.29Å; C76-K78 PolarHBondContact O-N 2.96Å; C76-I79 PolarHBondContact O-N 3.19Å; C76-L80 WeakPolarHBondContact O-CB 3.45Å; C76-L80 WeakPolarHBondContact O-CG 3.31Å; C76-L80 PolarHBondContact O-N 3.36Å
77	S	94.8	Very high	94.3	Very high	44 Å²	44	49.6 Å²	49.6	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-57.8	-44.2	174	-177.3	0	0	0	0	111.2	C73 H74 L75 L80 F81	C73-S77 WeakPolarHBondContact O-CB 3.42Å; C73-S77 PolarHBondContact O-N 3.45Å; H74-S77 WeakPolarHBondContact O-CB 3.04Å; H74-S77 PolarHBondContact O-N 2.97Å; L75-S77 VanDerWaalsContact C-N 3.3Å; L75-S77 PolarHBondContact O-N 3.26Å; S77-L80 PolarHBondContact O-N 3.31Å; S77-F81 WeakPolarHBondContact O-CB 3.48Å; S77-F81 VanDerWaalsContact O-CD2 3.31Å; S77-F81 WeakPolarHBondContact O-CD2 2.96Å; S77-F81 PolarHBondContact O-N 3.49Å; S77-F81 WeakPolarHBondContact OG-CD2 3.49Å
78	K	96.1	Very high	94.1	Very high	69 Å²	69	46.4 Å²	46.4	30%	0.3	26%	0.255	S	S	.	.	H	α-helix	trans	-65.6	-41.4	177.1	-64.2	-65.8	-169.2	178.3	0	113	Y69 H74 L75 C76 E82 G83 L84	Y69-K78 HydrophobicContact CD1-CG 4.29Å; Y69-K78 HydrophobicContact CE1-CB 4.4Å; Y69-K78 HydrophobicContact CE1-CG 3.77Å; H74-K78 WeakPolarHBondContact O-CG 3.45Å; H74-K78 PolarHBondContact O-N 2.93Å; L75-K78 WeakPolarHBondContact O-CB 3.12Å; L75-K78 PolarHBondContact O-N 3.13Å; L75-K78 VanDerWaalsContact O-N 3.11Å; C76-K78 VanDerWaalsContact C-N 3.29Å; C76-K78 PolarHBondContact O-N 2.96Å; K78-E82 HydrophobicContact CD-CG 4.34Å; K78-E82 VanDerWaalsContact CD-OE1 3.24Å; K78-E82 WeakPolarHBondContact CD-OE1 3.45Å; K78-E82 WeakPolarHBondContact CD-OE2 2.99Å; K78-E82 WeakPolarHBondContact CE-OE1 3Å; K78-E82 IonicContact NZ-OE1 2.87Å; K78-E82 PolarHBondContact NZ-OE1 2.95Å; K78-E82 IonicContact NZ-OE2 2.7Å; K78-E82 PolarHBondContact NZ-OE2 3.48Å; K78-E82 CarbonylContact O-C 3Å; K78-E82 WeakPolarHBondContact O-CA 3.22Å; K78-E82 WeakPolarHBondContact O-CB 3.46Å; K78-E82 PolarHBondContact O-N 2.94Å; K78-G83 PolarHBondContact O-N 3.4Å; K78-L84 HydrophobicContact CB-CD1 4Å; K78-L84 HydrophobicContact CD-CD1 4.43Å; K78-L84 PolarHBondContact O-N 2.81Å
79	I	94.8	Very high	93.9	Very high	6 Å²	6	46 Å²	46	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-65.7	-45.8	177.8	-65.2	165.3	0	0	0	111.1	T38 L75 C76 G83 L84 I86	T38-I79 HydrophobicContact CG2-CD1 3.7Å; L75-I79 HydrophobicContact CD1-CD1 4.17Å; L75-I79 HydrophobicContact CD1-CG1 4.42Å; L75-I79 HydrophobicContact CD2-CD1 4.5Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 3.07Å; C76-I79 PolarHBondContact O-N 3.19Å; I79-G83 VanDerWaalsContact O-CA 3.3Å; I79-G83 WeakPolarHBondContact O-CA 3.5Å; I79-G83 PolarHBondContact O-N 3.32Å; I79-L84 WeakPolarHBondContact CA-O 3.3Å; I79-I86 WeakPolarHBondContact CD1-O 2.9Å
80	L	95.3	Very high	93.8	Very high	38 Å²	38	48.5 Å²	48.5	20%	0.199	26%	0.26	C	S	.	.	H	α-helix	trans	-83.6	-41.1	-171.4	-63.9	-178.1	0	0	0	113.7	K39 C42 L43 I46 C76 S77	K39-L80 HydrophobicContact CG-CD2 3.91Å; C42-L80 HydrophobicContact CB-CD1 3.83Å; C42-L80 HydrophobicContact CB-CD2 4.15Å; C42-L80 HydrophobicContact CB-CG 3.98Å; L43-L80 HydrophobicContact CD2-CD1 4.17Å; L43-L80 HydrophobicContact CD2-CD2 3.86Å; L43-L80 HydrophobicContact CG-CD1 4.47Å; L43-L80 HydrophobicContact CG-CD2 3.83Å; I46-L80 HydrophobicContact CB-CD1 4.05Å; I46-L80 HydrophobicContact CD1-CD1 4.34Å; I46-L80 HydrophobicContact CG1-CD1 4.1Å; I46-L80 HydrophobicContact CG2-CD1 4.29Å; C76-L80 WeakPolarHBondContact O-CB 3.45Å; C76-L80 WeakPolarHBondContact O-CG 3.31Å; C76-L80 PolarHBondContact O-N 3.36Å; S77-L80 PolarHBondContact O-N 3.31Å
81	F	94.8	Very high	93.7	Very high	147 Å²	147	49.6 Å²	49.6	65%	0.645	26%	0.26	S	S	*	.	H	α-helix	trans	-99.5	-28.9	-173.1	-56.5	-64.8	0	0	0	113.4	I46 S77	I46-F81 HydrophobicContact CD1-CE2 4.24Å; I46-F81 HydrophobicContact CG1-CE2 4.21Å; I46-F81 HydrophobicContact CG1-CZ 4.3Å; S77-F81 WeakPolarHBondContact O-CB 3.48Å; S77-F81 VanDerWaalsContact O-CD2 3.31Å; S77-F81 WeakPolarHBondContact O-CD2 2.96Å; S77-F81 PolarHBondContact O-N 3.49Å; S77-F81 WeakPolarHBondContact OG-CD2 3.49Å
82	E	94.8	Very high	93.8	Very high	108 Å²	108	50.1 Å²	50.1	51%	0.505	27%	0.268	S	S	.	.	S	Bend	trans	-100	-7.1	175.2	-64.2	176.1	-151.5	0	0	112.3	K78 L84	K78-E82 HydrophobicContact CD-CG 4.34Å; K78-E82 VanDerWaalsContact CD-OE1 3.24Å; K78-E82 WeakPolarHBondContact CD-OE1 3.45Å; K78-E82 WeakPolarHBondContact CD-OE2 2.99Å; K78-E82 WeakPolarHBondContact CE-OE1 3Å; K78-E82 IonicContact NZ-OE1 2.87Å; K78-E82 PolarHBondContact NZ-OE1 2.95Å; K78-E82 IonicContact NZ-OE2 2.7Å; K78-E82 PolarHBondContact NZ-OE2 3.48Å; K78-E82 CarbonylContact O-C 3Å; K78-E82 WeakPolarHBondContact O-CA 3.22Å; K78-E82 WeakPolarHBondContact O-CB 3.46Å; K78-E82 PolarHBondContact O-N 2.94Å; E82-L84 VanDerWaalsContact C-N 3.28Å; E82-L84 HydrophobicContact CB-CD2 4.48Å; E82-L84 HydrophobicContact CB-CG 4.06Å; E82-L84 PolarHBondContact O-N 2.73Å
83	G	91.4	Very high	93.9	Very high	51 Å²	51	56 Å²	56	53%	0.526	30%	0.295	S	S	.	.			trans	69.9	23.4	176.2	0	0	0	0	0	113.6	K78 I79	K78-G83 PolarHBondContact O-N 3.4Å; I79-G83 VanDerWaalsContact O-CA 3.3Å; I79-G83 WeakPolarHBondContact O-CA 3.5Å; I79-G83 PolarHBondContact O-N 3.32Å
84	L	93.1	Very high	94	Very high	61 Å²	61	56.3 Å²	56.3	32%	0.319	30%	0.298	S	S	.	.			trans	-73.7	137.3	-178.4	-56	-171.5	0	0	0	111.4	K78 I79 E82 I86	K78-L84 HydrophobicContact CB-CD1 4Å; K78-L84 HydrophobicContact CD-CD1 4.43Å; K78-L84 PolarHBondContact O-N 2.81Å; I79-L84 WeakPolarHBondContact CA-O 3.3Å; E82-L84 VanDerWaalsContact C-N 3.28Å; E82-L84 HydrophobicContact CB-CD2 4.48Å; E82-L84 HydrophobicContact CB-CG 4.06Å; E82-L84 PolarHBondContact O-N 2.73Å; L84-I86 HydrophobicContact CB-CD1 3.51Å; L84-I86 HydrophobicContact CB-CG1 3.87Å; L84-I86 HydrophobicContact CD1-CD1 3.53Å; L84-I86 HydrophobicContact CG-CD1 4.14Å; L84-I86 PolarHBondContact O-N 3.21Å
85	N	93.4	Very high	94	Very high	128 Å²	128	59.5 Å²	59.5	68%	0.684	31%	0.313	S	S	*	.			trans	-92.4	69.8	177.3	-71.7	-24.4	0	0	0	110.8	L35	L35-N85 HydrophobicContact CD1-CB 4.02Å; L35-N85 HydrophobicContact CD2-CB 3.78Å
86	I	93.3	Very high	93	Very high	11 Å²	11	67.5 Å²	67.5	6%	0.056	36%	0.355	C	S	.	.			trans	-121	142.8	-174.4	-55.2	165.8	0	0	0	108.7	S64 D65 Y69 L75 I79 L84	S64-I86 WeakPolarHBondContact OG-CG2 3.11Å; D65-I86 HydrophobicContact CB-CD1 4.32Å; D65-I86 HydrophobicContact CB-CG1 4.31Å; D65-I86 HydrophobicContact CB-CG2 4.41Å; D65-I86 VanDerWaalsContact OD2-CD1 3.31Å; D65-I86 WeakPolarHBondContact OD2-CD1 3.28Å; Y69-I86 HydrophobicContact CE2-CG2 4.45Å; Y69-I86 VanDerWaalsContact OH-CD1 3.29Å; Y69-I86 WeakPolarHBondContact OH-CD1 3.3Å; L75-I86 HydrophobicContact CD1-CB 4.04Å; L75-I86 HydrophobicContact CD1-CG2 3.61Å; I79-I86 WeakPolarHBondContact CD1-O 2.9Å; L84-I86 HydrophobicContact CB-CD1 3.51Å; L84-I86 HydrophobicContact CB-CG1 3.87Å; L84-I86 HydrophobicContact CD1-CD1 3.53Å; L84-I86 HydrophobicContact CG-CD1 4.14Å; L84-I86 PolarHBondContact O-N 3.21Å
87	T	93	Very high	91.3	Very high	18 Å²	18	76.5 Å²	76.5	11%	0.11	42%	0.418	C	S	.	.			trans	-118.2	162.6	172	55.8	0	0	0	0	110.4	A29 G63 S64 L89	A29-T87 WeakPolarHBondContact CB-OG1 2.95Å; G63-T87 CarbonylContact C-O 3.56Å; G63-T87 WeakPolarHBondContact CA-O 3.29Å; S64-T87 WeakPolarHBondContact CB-OG1 3.33Å; S64-T87 PolarHBondContact N-O 3.41Å; S64-T87 PolarHBondContact OG-N 2.7Å; T87-L89 PolarHBondContact O-N 3.12Å
88	K	92.5	Very high	91.1	Very high	3 Å²	3	78.1 Å²	78.1	1%	0.013	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126	172	-175.2	171.3	67.8	164.8	0	109.3	L26 M28 A29 I61 E72 L75 D91	L26-K88 HydrophobicContact CB-CB 4.05Å; L26-K88 HydrophobicContact CB-CD 4.11Å; L26-K88 WeakPolarHBondContact O-CE 3.27Å; L26-K88 PolarHBondContact O-NZ 3.44Å; M28-K88 HydrophobicContact CE-CD 4.08Å; M28-K88 VanDerWaalsContact CE-NZ 3.34Å; M28-K88 HydrophobicContact SD-CD 4.11Å; M28-K88 WeakPolarHBondContact SD-CE 3.33Å; M28-K88 HydrophobicContact SD-CG 4.02Å; A29-K88 WeakPolarHBondContact CB-O 2.95Å; A29-K88 PolarHBondContact N-O 3.36Å; I61-K88 HydrophobicContact CB-CD 4.08Å; I61-K88 HydrophobicContact CB-CG 4.31Å; I61-K88 HydrophobicContact CD1-CB 4.47Å; I61-K88 HydrophobicContact CD1-CD 3.96Å; I61-K88 HydrophobicContact CD1-CG 4.07Å; I61-K88 HydrophobicContact CG2-CD 3.92Å; E72-K88 WeakPolarHBondContact OE1-CE 3.42Å; E72-K88 IonicContact OE1-NZ 2.62Å; E72-K88 PolarHBondContact OE1-NZ 3.48Å; L75-K88 HydrophobicContact CD2-CB 4.13Å; K88-D91 WeakPolarHBondContact CD-OD1 3.36Å; K88-D91 IonicContact NZ-OD1 3.8Å; K88-D91 PolarHBondContact NZ-OD1 3.41Å; K88-D91 IonicContact NZ-OD2 2.97Å
89	L	92.6	Very high	90.9	Very high	50 Å²	50	78.6 Å²	78.6	26%	0.262	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-51.5	176	-170.1	68.1	0	0	0	110.9	C62 K66 T87	C62-L89 HydrophobicContact CB-CB 4.47Å; C62-L89 WeakPolarHBondContact O-CA 3.37Å; C62-L89 VanDerWaalsContact O-CB 3.3Å; C62-L89 WeakPolarHBondContact O-CB 2.95Å; C62-L89 PolarHBondContact O-N 2.74Å; K66-L89 HydrophobicContact CD-CD2 4.24Å; K66-L89 VanDerWaalsContact NZ-CD2 3.28Å; T87-L89 PolarHBondContact O-N 3.12Å
90	Y	92.2	Very high	90.6	Very high	72 Å²	72	82.6 Å²	82.6	28%	0.282	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	163.4	174.7	52.5	-103.6	0	0	0	111.1	M28 C62 Q93 C94 E95	M28-Y90 VanDerWaalsContact SD-CA 3.55Å; C62-Y90 HydrophobicContact CB-CD1 4.32Å; C62-Y90 HydrophobicContact CB-CD2 3.69Å; C62-Y90 HydrophobicContact CB-CE1 4.03Å; C62-Y90 HydrophobicContact CB-CE2 3.39Å; C62-Y90 HydrophobicContact CB-CG 4.16Å; C62-Y90 PolarHBondContact N-O 3.22Å; C62-Y90 PolarHBondContact O-N 2.78Å; Y90-Q93 WeakPolarHBondContact CE2-O 3.36Å; Y90-C94 WeakPolarHBondContact OH-CA 3.39Å; Y90-E95 PolarHBondContact OH-N 3.34Å; Y90-E95 VanDerWaalsContact OH-N 3.07Å
91	D	92.9	Very high	90.4	Very high	98 Å²	98	85.2 Å²	85.2	52%	0.524	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.3	171.6	-57.7	-44.3	0	0	0	110.3	M28 K88	M28-D91 HydrophobicContact CE-CB 4.29Å; M28-D91 WeakPolarHBondContact CE-OD1 3.12Å; M28-D91 WeakPolarHBondContact CE-OD2 3.42Å; K88-D91 WeakPolarHBondContact CD-OD1 3.36Å; K88-D91 IonicContact NZ-OD1 3.8Å; K88-D91 PolarHBondContact NZ-OD1 3.41Å; K88-D91 IonicContact NZ-OD2 2.97Å
92	G	94.1	Very high	90.1	Very high	26 Å²	26	81.4 Å²	81.4	27%	0.268	46%	0.456	S	S	.	.	S	Bend	trans	107.3	174.4	-171.8	0	0	0	0	0	113.2	P60 I61 C62	P60-G92 CarbonylContact C-O 3.54Å; P60-G92 CarbonylContact O-C 3.45Å; P60-G92 WeakPolarHBondContact O-CA 3.43Å; P60-G92 PolarHBondContact O-N 3.28Å; I61-G92 CarbonylContact C-O 3.52Å; I61-G92 WeakPolarHBondContact CA-O 3.38Å; I61-G92 PolarHBondContact N-O 3.46Å; C62-G92 PolarHBondContact N-O 3.42Å
93	Q	95.8	Very high	89.8	Confident	139 Å²	139	79.6 Å²	79.6	65%	0.65	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-73.2	150.2	175.6	-56.5	-175.1	7.2	0	0	110.6	P60 T68 Y90 E95	P60-Q93 HydrophobicContact CB-CG 3.8Å; P60-Q93 HydrophobicContact CG-CG 3.92Å; T68-Q93 HydrophobicContact CG2-CB 4.02Å; T68-Q93 HydrophobicContact CG2-CG 3.93Å; Y90-Q93 WeakPolarHBondContact CE2-O 3.36Å; Q93-E95 PolarHBondContact O-N 3.4Å
94	C	96.6	Very high	89.7	Confident	19 Å²	19	81.6 Å²	81.6	13%	0.128	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-61.5	138.6	171	-62.7	0	0	0	0	110.8	C62 K66 V67 T68 Y90	C62-C94 WeakPolarHBondContact CA-SG 3.14Å; C62-C94 HydrophobicContact CB-CB 4.05Å; C62-C94 WeakPolarHBondContact CB-SG 3.5Å; C62-C94 WeakPolarHBondContact SG-CA 3.18Å; C62-C94 WeakPolarHBondContact SG-CB 3.45Å; C62-C94 CovalentContact SG-SG 2.05Å; C62-C94 PolarHBondContact SG-SG 3.37Å; K66-C94 PolarHBondContact O-SG 3.16Å; V67-C94 VanDerWaalsContact C-SG 3.5Å; V67-C94 PolarHBondContact O-SG 3.29Å; T68-C94 PolarHBondContact OG1-N 3.16Å; Y90-C94 WeakPolarHBondContact OH-CA 3.39Å
95	E	93.1	Very high	89.4	Confident	161 Å²	161	83.2 Å²	83.2	75%	0.752	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-79.6	123.9	174	-64.8	-176.5	172.6	0	0	108.6	Y90 Q93 S97	Y90-E95 PolarHBondContact OH-N 3.34Å; Y90-E95 VanDerWaalsContact OH-N 3.07Å; Q93-E95 PolarHBondContact O-N 3.4Å; E95-S97 PolarHBondContact O-N 3.39Å
96	N	75.2	Confident	89.1	Confident	168 Å²	168	79.5 Å²	79.5	90%	0.898	44%	0.439	S	S	*	.			trans	-71.1	106.4	166.3	-90.4	23.1	0	0	0	107.4
97	S	57.6	Low	88.7	Confident	189 Å²	189	85.7 Å²	85.7	100%	1.322	47%	0.474	S	S	*	.			trans	-71.8	0	165	-53.9	0	0	0	0	111	E95	E95-S97 PolarHBondContact O-N 3.39Å

Retrieved 97 of 97 residues in 82.1 ms (Link to these results)

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