A0A087WZ56_HUMAN Loading...

Matrix metallopeptidase 28

AlphaFold DB , UniProt , Accession A0A087WZ56, Species HUMAN (Homo sapiens, Human), Gene MMP28, Length 89 aa.

						>A0A087WZ56_HUMAN|A0A087WZ56|MMP28
DFETWDSYSPQGRRPETQGPKYCHSSFDAITVDRQQQLYIFKGSHFWEVAADGNVSEPRPLQERWVGLPPNIEAAAVSLNDGDFYFFKA
					

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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	D	44	Very low	48.6	Very low	200 Å²	200	160 Å²	160	100%	1.07	80%	0.804	S	S	*	*				0	115.3	0	-70.5	-28.5	0	0	0	111.2	E3	D1-E3 VanDerWaalsContact C-N 3.31Å
2	F	40.4	Very low	48.3	Very low	192 Å²	192	152.3 Å²	152.3	84%	0.842	80%	0.796	S	S	*	*			trans	-98.2	31	-172.9	-179.6	-101.9	0	0	0	110.8
3	E	49.9	Very low	48.3	Very low	178 Å²	178	159.5 Å²	159.5	83%	0.832	81%	0.806	S	S	*	*			trans	-98.2	14.5	-176.1	-67.2	-160	147.6	0	0	113.7	D1	D1-E3 VanDerWaalsContact C-N 3.31Å
4	T	52.7	Low	48.5	Very low	110 Å²	110	164.3 Å²	164.3	68%	0.675	81%	0.809	S	S	*	*	S	Bend	trans	-123.3	15.2	-169.3	-19.5	0	0	0	0	115.3
5	W	47.7	Very low	48.5	Very low	229 Å²	229	161.1 Å²	161.1	87%	0.867	81%	0.805	S	S	*	*	S	Bend	trans	-104.5	-2.8	178.9	-136.4	58.6	0	0	0	115.1	S7	W5-S7 VanDerWaalsContact C-N 3.27Å; W5-S7 PolarHBondContact O-N 3.04Å
6	D	50.1	Low	48.8	Very low	166 Å²	166	159.9 Å²	159.9	89%	0.888	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-0.4	179.7	-81.5	-32.6	0	0	0	114.5
7	S	49.6	Very low	49.1	Very low	80 Å²	80	156.2 Å²	156.2	56%	0.559	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	7.6	-166.9	40	0	0	0	0	116.6	W5	W5-S7 VanDerWaalsContact C-N 3.27Å; W5-S7 PolarHBondContact O-N 3.04Å
8	Y	47.1	Very low	49.7	Very low	216 Å²	216	158.6 Å²	158.6	85%	0.847	79%	0.793	S	S	*	*			trans	-139.1	42.9	179.8	-73	-79.1	0	0	0	116	P10	Y8-P10 WeakPolarHBondContact O-CD 3.42Å
9	S	51.4	Low	50.4	Low	93 Å²	93	151.1 Å²	151.1	65%	0.65	76%	0.76	S	S	*	*			trans	-104.7	102.8	157.2	-165.9	0	0	0	0	110	Q11	S9-Q11 PolarHBondContact O-N 2.89Å
10	P	48.5	Very low	51.1	Low	128 Å²	128	145.5 Å²	145.5	83%	0.831	73%	0.734	S	S	*	*			trans	-79.4	55	169.4	35.4	-32.3	0	0	0	108.9	Y8	Y8-P10 WeakPolarHBondContact O-CD 3.42Å
11	Q	53.2	Low	51.9	Low	168 Å²	168	144.4 Å²	144.4	79%	0.785	73%	0.725	S	S	*	*			trans	-106.2	72.2	158.5	-64.2	-155.3	-0.3	0	0	106.5	S9 R13	S9-Q11 PolarHBondContact O-N 2.89Å; Q11-R13 PolarHBondContact O-N 2.73Å; Q11-R13 VanDerWaalsContact O-N 3.08Å
12	G	44.7	Very low	53.2	Low	68 Å²	68	141.6 Å²	141.6	70%	0.701	70%	0.7	S	S	*	*			trans	-45.1	122.7	159.1	0	0	0	0	0	107	R14	G12-R14 VanDerWaalsContact C-N 3.29Å; G12-R14 PolarHBondContact O-N 2.91Å
13	R	49	Very low	54.7	Low	245 Å²	245	136.3 Å²	136.3	93%	0.925	69%	0.687	S	S	*	*			trans	-44.2	97.1	173.9	-77.8	-178.4	-98.2	175.9	-7.4	108	Q11	Q11-R13 PolarHBondContact O-N 2.73Å; Q11-R13 VanDerWaalsContact O-N 3.08Å
14	R	50.6	Low	55.9	Low	227 Å²	227	135.6 Å²	135.6	86%	0.857	68%	0.683	S	S	*	*			trans	-54.5	124.9	153	-94.8	-179.8	161.2	-179.9	-5.4	103.1	G12 E16	G12-R14 VanDerWaalsContact C-N 3.29Å; G12-R14 PolarHBondContact O-N 2.91Å; R14-E16 VanDerWaalsContact C-N 3.35Å; R14-E16 PolarHBondContact O-N 3.02Å
15	P	48.8	Very low	57	Low	116 Å²	116	132.4 Å²	132.4	75%	0.753	67%	0.665	S	S	*	*			trans	-53.5	113.5	169.6	22.5	-29.3	0	0	0	104.8	T17	P15-T17 PolarHBondContact O-N 2.64Å
16	E	54	Low	58.9	Low	143 Å²	143	125.5 Å²	125.5	67%	0.668	65%	0.651	S	S	*	*			trans	-47.1	122.1	167.9	-73.7	-163.5	-161.7	0	0	104.6	R14 Q18 K21	R14-E16 VanDerWaalsContact C-N 3.35Å; R14-E16 PolarHBondContact O-N 3.02Å; E16-Q18 PolarHBondContact O-N 3.34Å; E16-K21 IonicContact OE2-NZ 3.66Å; E16-K21 PolarHBondContact OE2-NZ 3.5Å
17	T	53.9	Low	60.9	Low	97 Å²	97	121.1 Å²	121.1	60%	0.595	63%	0.625	S	S	*	*			trans	-48.1	107	178.7	31.5	0	0	0	0	106.3	P15 G19	P15-T17 PolarHBondContact O-N 2.64Å; T17-G19 PolarHBondContact O-N 2.78Å
18	Q	59.7	Low	63.1	Low	198 Å²	198	119.3 Å²	119.3	93%	0.925	61%	0.609	S	S	*	*			trans	-70.6	32.7	-177.9	-74.4	-173.8	-25.5	0	0	110.9	E16	E16-Q18 PolarHBondContact O-N 3.34Å
19	G	62.6	Low	65.5	Low	16 Å²	16	109.5 Å²	109.5	17%	0.165	57%	0.573	C	S	.	*	S	Bend	trans	-85.8	157	171.8	0	0	0	0	0	110.3	T17 K21	T17-G19 PolarHBondContact O-N 2.78Å; G19-K21 PolarHBondContact O-N 2.95Å
20	P	64.3	Low	67.6	Low	39 Å²	39	109.5 Å²	109.5	25%	0.253	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-60.5	136.2	174.9	-12.3	24.8	0	0	0	110.2	K42 W47	P20-K42 HydrophobicContact CB-CG 3.89Å; P20-K42 HydrophobicContact CG-CB 4.18Å; P20-K42 HydrophobicContact CG-CG 3.74Å; P20-W47 HydrophobicContact CB-CH2 3.75Å; P20-W47 HydrophobicContact CB-CZ2 4.24Å; P20-W47 HydrophobicContact CG-CH2 3.72Å; P20-W47 HydrophobicContact CG-CZ2 4.3Å; P20-W47 WeakPolarHBondContact O-CZ2 3.09Å
21	K	68.9	Low	70	Confident	124 Å²	124	104.2 Å²	104.2	54%	0.539	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-83	120.7	173.8	-65.3	-175.1	-177.8	178	0	108.6	E16 G19 C23 H24 S25	E16-K21 IonicContact OE2-NZ 3.66Å; E16-K21 PolarHBondContact OE2-NZ 3.5Å; G19-K21 PolarHBondContact O-N 2.95Å; K21-C23 VanDerWaalsContact C-N 3.28Å; K21-C23 PolarHBondContact O-N 2.72Å; K21-H24 PolarHBondContact O-N 2.87Å; K21-H24 VanDerWaalsContact O-N 3.14Å; K21-S25 PolarHBondContact O-N 3.32Å; K21-S25 PolarHBondContact O-OG 3.31Å
22	Y	69.4	Low	72.1	Confident	140 Å²	140	99.9 Å²	99.9	55%	0.549	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-59.2	-34.1	-175.5	66.6	-89.6	0	0	0	113.3	H24	Y22-H24 VanDerWaalsContact C-N 3.27Å; Y22-H24 PolarHBondContact O-N 3.05Å
23	C	73.7	Confident	74.6	Confident	82 Å²	82	97.5 Å²	97.5	55%	0.554	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-71	-14.1	179.3	-63.2	0	0	0	0	115.3	K21	K21-C23 VanDerWaalsContact C-N 3.28Å; K21-C23 PolarHBondContact O-N 2.72Å
24	H	73.2	Confident	76.8	Confident	163 Å²	163	92.6 Å²	92.6	76%	0.755	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-131.1	20	-168.8	-57.8	106.7	0	0	0	112.8	K21 Y22	K21-H24 PolarHBondContact O-N 2.87Å; K21-H24 VanDerWaalsContact O-N 3.14Å; Y22-H24 VanDerWaalsContact C-N 3.27Å; Y22-H24 PolarHBondContact O-N 3.05Å
25	S	75.8	Confident	78.9	Confident	42 Å²	42	89.8 Å²	89.8	29%	0.294	46%	0.463	S	S	.	.	S	Bend	trans	-141.6	158.5	-178.3	58.3	0	0	0	0	112.1	K21	K21-S25 PolarHBondContact O-N 3.32Å; K21-S25 PolarHBondContact O-OG 3.31Å
26	S	88.8	Confident	81.1	Confident	84 Å²	84	90.8 Å²	90.8	59%	0.587	46%	0.458	S	S	*	.			trans	-81	159.3	164.7	63.7	0	0	0	0	110.2	K42	S26-K42 VanDerWaalsContact O-CD 3.28Å; S26-K42 WeakPolarHBondContact O-CD 3.46Å; S26-K42 WeakPolarHBondContact O-CE 3.48Å
27	F	92.8	Very high	83.2	Confident	74 Å²	74	85.9 Å²	85.9	33%	0.325	44%	0.435	S	S	.	.			trans	-104.4	149.2	175.4	-51.7	-56.9	0	0	0	110.4	I30 I40	F27-I30 HydrophobicContact CB-CG1 4.35Å; F27-I30 HydrophobicContact CD2-CD1 3.97Å; F27-I40 HydrophobicContact CB-CG2 4.02Å; F27-I40 HydrophobicContact CD1-CG2 3.24Å; F27-I40 HydrophobicContact CD2-CG2 4.07Å; F27-I40 HydrophobicContact CE1-CG2 3.62Å; F27-I40 HydrophobicContact CE2-CG2 4.38Å; F27-I40 HydrophobicContact CG-CG2 3.48Å; F27-I40 VanDerWaalsContact CG-CG2 3.48Å; F27-I40 HydrophobicContact CZ-CG2 4.18Å
28	D	94.8	Very high	85.2	Confident	43 Å²	43	84 Å²	84	23%	0.23	42%	0.422	C	S	.	.	S	Bend	trans	-85.5	-38.4	178.2	-60.2	-13.7	0	0	0	110.2	F41 K42 G43 I72 E73	D28-F41 PolarHBondContact N-O 2.62Å; D28-K42 VanDerWaalsContact OD1-CD 3.26Å; D28-K42 WeakPolarHBondContact OD1-CD 3.47Å; D28-K42 IonicContact OD1-NZ 2.78Å; D28-K42 PolarHBondContact OD1-NZ 2.88Å; D28-K42 IonicContact OD2-NZ 3.83Å; D28-G43 PolarHBondContact OD2-N 2.94Å; D28-I72 WeakPolarHBondContact CB-O 3.37Å; D28-E73 VanDerWaalsContact O-O 3.05Å
29	A	96.6	Very high	87	Confident	10 Å²	10	74.8 Å²	74.8	8%	0.083	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.8	174	0	0	0	0	0	111.8	F41 I72 A75	A29-F41 HydrophobicContact CB-CB 4.21Å; A29-F41 HydrophobicContact CB-CD2 4.08Å; A29-F41 HydrophobicContact CB-CG 4.49Å; A29-F41 PolarHBondContact N-O 2.92Å; A29-F41 PolarHBondContact O-N 2.81Å; A29-I72 HydrophobicContact CB-CD1 3.98Å; A29-I72 HydrophobicContact CB-CG1 4.35Å; A29-A75 HydrophobicContact CB-CB 4.19Å
30	I	96.6	Very high	88.6	Confident	93 Å²	93	75.1 Å²	75.1	48%	0.477	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.9	171.3	-58.9	174.9	0	0	0	108.2	F27 L38 Y39 I40	F27-I30 HydrophobicContact CB-CG1 4.35Å; F27-I30 HydrophobicContact CD2-CD1 3.97Å; I30-L38 HydrophobicContact CG2-CD1 4.28Å; I30-L38 HydrophobicContact CG2-CD2 3.76Å; I30-L38 HydrophobicContact CG2-CG 4.02Å; I30-Y39 WeakPolarHBondContact CA-O 3.28Å; I30-I40 HydrophobicContact CG1-CG1 4.49Å; I30-I40 HydrophobicContact CG1-CG2 4.35Å
31	T	97.8	Very high	90.1	Very high	17 Å²	17	73.4 Å²	73.4	10%	0.104	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	164.6	170.1	-165.1	0	0	0	0	110.8	Y39 F41 A75 V77 F84	T31-Y39 HydrophobicContact CG2-CD2 4.39Å; T31-Y39 PolarHBondContact N-O 3.35Å; T31-Y39 PolarHBondContact O-N 3.39Å; T31-F41 HydrophobicContact CG2-CE2 4.08Å; T31-A75 HydrophobicContact CG2-CB 4.1Å; T31-V77 HydrophobicContact CG2-CG2 3.91Å; T31-V77 PolarHBondContact OG1-N 3.22Å; T31-F84 HydrophobicContact CG2-CD1 4.19Å; T31-F84 HydrophobicContact CG2-CE1 3.88Å
32	V	97.7	Very high	91.2	Very high	76 Å²	76	70 Å²	70	46%	0.461	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.4	174.1	65.9	0	0	0	0	109.1	Q37 V77	V32-Q37 WeakPolarHBondContact CA-O 3.34Å; V32-V77 WeakPolarHBondContact O-CB 3.33Å; V32-V77 WeakPolarHBondContact O-CG2 3.35Å
33	D	96.9	Very high	92.3	Very high	18 Å²	18	64.5 Å²	64.5	10%	0.096	34%	0.336	C	S	.	.			trans	-89.3	-179.5	173.2	73.3	17.7	0	0	0	112.7	Q35 Q36 Q37 Y39 V77 F84	D33-Q35 PolarHBondContact O-N 3.36Å; D33-Q35 VanDerWaalsContact OD1-CA 3.32Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.26Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.26Å; D33-Q35 PolarHBondContact OD1-N 2.83Å; D33-Q36 PolarHBondContact O-N 2.99Å; D33-Q36 VanDerWaalsContact O-N 3.17Å; D33-Q36 PolarHBondContact OD1-N 3.45Å; D33-Q37 PolarHBondContact N-O 2.97Å; D33-Q37 WeakPolarHBondContact OD1-CB 3.42Å; D33-Q37 PolarHBondContact OD1-N 3Å; D33-Q37 WeakPolarHBondContact OD2-CB 2.96Å; D33-Y39 HydrophobicContact CB-CE2 3.83Å; D33-Y39 VanDerWaalsContact OD2-CE2 3.29Å; D33-Y39 WeakPolarHBondContact OD2-CE2 3.34Å; D33-Y39 PolarHBondContact OD2-OH 2.97Å; D33-V77 HydrophobicContact CB-CG1 4.44Å; D33-V77 HydrophobicContact CB-CG2 4.42Å; D33-F84 HydrophobicContact CB-CE2 4.47Å; D33-F84 HydrophobicContact CB-CZ 4.06Å
34	R	96.1	Very high	93.3	Very high	143 Å²	143	63.3 Å²	63.3	54%	0.54	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.5	-178.7	-58.7	179.5	80.8	177.2	14.3	113.3	Q36 L79 N80	R34-Q36 VanDerWaalsContact C-N 3.34Å; R34-L79 PolarHBondContact NE-O 2.86Å; R34-L79 VanDerWaalsContact NE-O 3.14Å; R34-L79 PolarHBondContact NH2-O 2.89Å; R34-N80 PolarHBondContact NH1-O 2.71Å; R34-N80 PolarHBondContact NH2-O 3.08Å
35	Q	94.7	Very high	94.3	Very high	167 Å²	167	57.9 Å²	57.9	78%	0.78	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	11.2	179.3	-65.4	151.4	21.5	0	0	111.6	D33 Q37	D33-Q35 PolarHBondContact O-N 3.36Å; D33-Q35 VanDerWaalsContact OD1-CA 3.32Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.26Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.26Å; D33-Q35 PolarHBondContact OD1-N 2.83Å; Q35-Q37 PolarHBondContact O-N 3.27Å
36	Q	95.4	Very high	95.3	Very high	138 Å²	138	55.9 Å²	55.9	65%	0.645	29%	0.289	S	S	*	.	S	Bend	trans	62	19.8	-176	-57.4	178.4	-13.9	0	0	113.3	D33 R34 A51	D33-Q36 PolarHBondContact O-N 2.99Å; D33-Q36 VanDerWaalsContact O-N 3.17Å; D33-Q36 PolarHBondContact OD1-N 3.45Å; R34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-A51 HydrophobicContact CB-CB 4.25Å
37	Q	97.2	Very high	95.6	Very high	40 Å²	40	52.3 Å²	52.3	19%	0.187	26%	0.262	C	S	.	.			trans	-79.5	121.5	170.5	-176.1	64.9	58.3	0	0	107.9	V32 D33 Q35 Y39 E48 V49	V32-Q37 WeakPolarHBondContact CA-O 3.34Å; D33-Q37 PolarHBondContact N-O 2.97Å; D33-Q37 WeakPolarHBondContact OD1-CB 3.42Å; D33-Q37 PolarHBondContact OD1-N 3Å; D33-Q37 WeakPolarHBondContact OD2-CB 2.96Å; Q35-Q37 PolarHBondContact O-N 3.27Å; Q37-Y39 HydrophobicContact CB-CE2 3.9Å; Q37-Y39 HydrophobicContact CG-CD2 4.49Å; Q37-Y39 HydrophobicContact CG-CE1 4.24Å; Q37-Y39 HydrophobicContact CG-CE2 3.7Å; Q37-Y39 VanDerWaalsContact O-CD2 3.31Å; Q37-Y39 WeakPolarHBondContact O-CD2 3Å; Q37-Y39 WeakPolarHBondContact O-CE2 3.46Å; Q37-E48 VanDerWaalsContact NE2-C 3.25Å; Q37-V49 PolarHBondContact NE2-O 2.86Å
38	L	97.3	Very high	95.7	Very high	58 Å²	58	50.4 Å²	50.4	30%	0.304	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.2	178.7	-172.3	156	0	0	0	109.5	I30 I40 E48 V49	I30-L38 HydrophobicContact CG2-CD1 4.28Å; I30-L38 HydrophobicContact CG2-CD2 3.76Å; I30-L38 HydrophobicContact CG2-CG 4.02Å; L38-I40 HydrophobicContact CD2-CD1 3.8Å; L38-I40 HydrophobicContact CD2-CG1 3.25Å; L38-E48 CarbonylContact O-C 3.46Å; L38-E48 WeakPolarHBondContact O-CA 3.46Å; L38-V49 HydrophobicContact CB-CB 4.21Å; L38-V49 HydrophobicContact CD2-CB 4.34Å; L38-V49 HydrophobicContact CD2-CG2 4.23Å; L38-V49 PolarHBondContact N-O 3.2Å; L38-V49 PolarHBondContact O-N 2.91Å
39	Y	96.8	Very high	95.8	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.8	-179.4	-59.8	-96.6	0	0	0	108.9	I30 T31 D33 Q37 F46 W47 E48 R64 W65 F84	I30-Y39 WeakPolarHBondContact CA-O 3.28Å; T31-Y39 HydrophobicContact CG2-CD2 4.39Å; T31-Y39 PolarHBondContact N-O 3.35Å; T31-Y39 PolarHBondContact O-N 3.39Å; D33-Y39 HydrophobicContact CB-CE2 3.83Å; D33-Y39 VanDerWaalsContact OD2-CE2 3.29Å; D33-Y39 WeakPolarHBondContact OD2-CE2 3.34Å; D33-Y39 PolarHBondContact OD2-OH 2.97Å; Q37-Y39 HydrophobicContact CB-CE2 3.9Å; Q37-Y39 HydrophobicContact CG-CD2 4.49Å; Q37-Y39 HydrophobicContact CG-CE1 4.24Å; Q37-Y39 HydrophobicContact CG-CE2 3.7Å; Q37-Y39 VanDerWaalsContact O-CD2 3.31Å; Q37-Y39 WeakPolarHBondContact O-CD2 3Å; Q37-Y39 WeakPolarHBondContact O-CE2 3.46Å; Y39-F46 HydrophobicContact CD1-CD2 4.21Å; Y39-F46 HydrophobicContact CD1-CE2 4.28Å; Y39-W47 WeakPolarHBondContact CA-O 3.33Å; Y39-E48 HydrophobicContact CD1-CG 3.91Å; Y39-E48 HydrophobicContact CE1-CG 3.79Å; Y39-R64 PolarHBondContact OH-NH2 2.8Å; Y39-W65 AromaticContact CD1-CH2 3.83Å; Y39-W65 HydrophobicContact CD1-CH2 3.83Å; Y39-W65 HydrophobicContact CD1-CZ2 4.46Å; Y39-W65 HydrophobicContact CE1-CH2 4.2Å; Y39-F84 AromaticContact CD2-CE1 3.88Å; Y39-F84 HydrophobicContact CD2-CE1 3.88Å; Y39-F84 AromaticContact CD2-CZ 3.97Å; Y39-F84 HydrophobicContact CD2-CZ 3.97Å; Y39-F84 HydrophobicContact CE1-CZ 4.34Å; Y39-F84 HydrophobicContact CE2-CE1 4.02Å; Y39-F84 AromaticContact CE2-CZ 3.6Å; Y39-F84 HydrophobicContact CE2-CZ 3.6Å; Y39-F84 HydrophobicContact CG-CE1 4.16Å; Y39-F84 HydrophobicContact CG-CZ 4.5Å; Y39-F84 AromaticContact CZ-CZ 3.78Å
40	I	95.8	Very high	95.7	Very high	24 Å²	24	50.5 Å²	50.5	12%	0.123	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.1	178.8	-54.8	-179.8	0	0	0	107.8	F27 I30 L38 F46 W47 V49	F27-I40 HydrophobicContact CB-CG2 4.02Å; F27-I40 HydrophobicContact CD1-CG2 3.24Å; F27-I40 HydrophobicContact CD2-CG2 4.07Å; F27-I40 HydrophobicContact CE1-CG2 3.62Å; F27-I40 HydrophobicContact CE2-CG2 4.38Å; F27-I40 HydrophobicContact CG-CG2 3.48Å; F27-I40 VanDerWaalsContact CG-CG2 3.48Å; F27-I40 HydrophobicContact CZ-CG2 4.18Å; I30-I40 HydrophobicContact CG1-CG1 4.49Å; I30-I40 HydrophobicContact CG1-CG2 4.35Å; L38-I40 HydrophobicContact CD2-CD1 3.8Å; L38-I40 HydrophobicContact CD2-CG1 3.25Å; I40-F46 CarbonylContact O-C 3.58Å; I40-F46 WeakPolarHBondContact O-CA 3.41Å; I40-F46 WeakPolarHBondContact O-CB 3.38Å; I40-W47 HydrophobicContact CB-CE3 4.17Å; I40-W47 HydrophobicContact CG2-CE3 4.13Å; I40-W47 PolarHBondContact N-O 2.88Å; I40-W47 PolarHBondContact O-N 3.49Å; I40-V49 HydrophobicContact CD1-CG2 3.85Å; I40-V49 HydrophobicContact CG1-CG2 4.33Å
41	F	95.1	Very high	95.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.8	-175.8	-60.9	-89.9	0	0	0	111.3	D28 A29 T31 F46 L61 W65 I72 A75 F86	D28-F41 PolarHBondContact N-O 2.62Å; A29-F41 HydrophobicContact CB-CB 4.21Å; A29-F41 HydrophobicContact CB-CD2 4.08Å; A29-F41 HydrophobicContact CB-CG 4.49Å; A29-F41 PolarHBondContact N-O 2.92Å; A29-F41 PolarHBondContact O-N 2.81Å; T31-F41 HydrophobicContact CG2-CE2 4.08Å; F41-F46 HydrophobicContact CD1-CB 3.62Å; F41-F46 HydrophobicContact CD1-CG 4.49Å; F41-F46 HydrophobicContact CE1-CB 3.88Å; F41-F46 HydrophobicContact CE1-CG 4.33Å; F41-F46 HydrophobicContact CG-CB 4.32Å; F41-L61 HydrophobicContact CD1-CD1 3.6Å; F41-L61 HydrophobicContact CE1-CD1 3.59Å; F41-W65 HydrophobicContact CE1-CE3 4.18Å; F41-W65 AromaticContact CE1-CH2 3.75Å; F41-W65 HydrophobicContact CE1-CH2 3.75Å; F41-W65 AromaticContact CE1-CZ3 3.49Å; F41-W65 HydrophobicContact CE1-CZ3 3.49Å; F41-W65 VanDerWaalsContact CE1-CZ3 3.49Å; F41-W65 AromaticContact CZ-CH2 3.7Å; F41-W65 HydrophobicContact CZ-CH2 3.7Å; F41-W65 HydrophobicContact CZ-CZ2 4.38Å; F41-W65 AromaticContact CZ-CZ3 3.97Å; F41-W65 HydrophobicContact CZ-CZ3 3.97Å; F41-I72 HydrophobicContact CB-CD1 3.94Å; F41-I72 HydrophobicContact CB-CG1 4.24Å; F41-I72 HydrophobicContact CD1-CD1 3.8Å; F41-I72 HydrophobicContact CD2-CD1 4.04Å; F41-I72 HydrophobicContact CE1-CD1 4.29Å; F41-I72 HydrophobicContact CG-CD1 3.65Å; F41-I72 HydrophobicContact CG-CG1 4.46Å; F41-A75 HydrophobicContact CD2-CB 4.31Å; F41-A75 HydrophobicContact CE2-CB 3.94Å; F41-F86 AromaticContact CE1-CE1 3.99Å; F41-F86 HydrophobicContact CE1-CE1 3.99Å; F41-F86 AromaticContact CZ-CE1 3.87Å; F41-F86 HydrophobicContact CZ-CE1 3.87Å; F41-F86 HydrophobicContact CZ-CZ 4.47Å
42	K	93.8	Very high	95.3	Very high	54 Å²	54	54.4 Å²	54.4	24%	0.235	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	117.4	172.2	-175.3	49.7	176.3	151.4	0	112	P20 S26 D28 S44 H45 W47	P20-K42 HydrophobicContact CB-CG 3.89Å; P20-K42 HydrophobicContact CG-CB 4.18Å; P20-K42 HydrophobicContact CG-CG 3.74Å; S26-K42 VanDerWaalsContact O-CD 3.28Å; S26-K42 WeakPolarHBondContact O-CD 3.46Å; S26-K42 WeakPolarHBondContact O-CE 3.48Å; D28-K42 VanDerWaalsContact OD1-CD 3.26Å; D28-K42 WeakPolarHBondContact OD1-CD 3.47Å; D28-K42 IonicContact OD1-NZ 2.78Å; D28-K42 PolarHBondContact OD1-NZ 2.88Å; D28-K42 IonicContact OD2-NZ 3.83Å; K42-S44 PolarHBondContact O-N 3.02Å; K42-H45 PolarHBondContact N-O 2.81Å; K42-H45 PolarHBondContact O-N 3.03Å; K42-W47 HydrophobicContact CB-CH2 3.93Å; K42-W47 HydrophobicContact CB-CZ3 3.65Å
43	G	92.6	Very high	94.9	Very high	24 Å²	24	53 Å²	53	25%	0.247	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	-128.4	-174.8	0	0	0	0	0	109.8	D28 H45 P70	D28-G43 PolarHBondContact OD2-N 2.94Å; G43-H45 PolarHBondContact O-N 3.33Å; G43-P70 CarbonylContact C-O 3.56Å
44	S	94.1	Very high	94.7	Very high	56 Å²	56	57.1 Å²	57.1	39%	0.392	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	16.6	179.9	67	0	0	0	0	114	K42 P60 L61 P70	K42-S44 PolarHBondContact O-N 3.02Å; S44-P60 WeakPolarHBondContact O-CA 3.14Å; S44-L61 PolarHBondContact O-N 2.89Å; S44-P70 WeakPolarHBondContact CA-O 3.44Å; S44-P70 WeakPolarHBondContact CB-O 3.38Å; S44-P70 PolarHBondContact N-O 2.83Å
45	H	94.7	Very high	94.5	Very high	50 Å²	50	53.8 Å²	53.8	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	161	-176.5	-63.3	83.3	0	0	0	112.2	K42 G43 P58 R59	K42-H45 PolarHBondContact N-O 2.81Å; K42-H45 PolarHBondContact O-N 3.03Å; G43-H45 PolarHBondContact O-N 3.33Å; H45-P58 HydrophobicContact CB-CB 4.37Å; H45-R59 CarbonylContact C-O 2.96Å; H45-R59 WeakPolarHBondContact CA-O 3.32Å
46	F	95.2	Very high	94.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.6	171.6	73.9	-76.9	0	0	0	111.8	Y39 I40 F41 E48 R59 P60 L61 R64 W65	Y39-F46 HydrophobicContact CD1-CD2 4.21Å; Y39-F46 HydrophobicContact CD1-CE2 4.28Å; I40-F46 CarbonylContact O-C 3.58Å; I40-F46 WeakPolarHBondContact O-CA 3.41Å; I40-F46 WeakPolarHBondContact O-CB 3.38Å; F41-F46 HydrophobicContact CD1-CB 3.62Å; F41-F46 HydrophobicContact CD1-CG 4.49Å; F41-F46 HydrophobicContact CE1-CB 3.88Å; F41-F46 HydrophobicContact CE1-CG 4.33Å; F41-F46 HydrophobicContact CG-CB 4.32Å; F46-E48 HydrophobicContact CD2-CG 4.14Å; F46-E48 HydrophobicContact CE2-CG 3.7Å; F46-E48 WeakPolarHBondContact CE2-OE1 3.34Å; F46-R59 HydrophobicContact CD1-CB 4.11Å; F46-R59 VanDerWaalsContact CD1-O 3.25Å; F46-R59 WeakPolarHBondContact CD1-O 3.49Å; F46-R59 HydrophobicContact CE1-CB 3.62Å; F46-R59 HydrophobicContact CZ-CB 3.86Å; F46-R59 PolarHBondContact N-O 2.79Å; F46-R59 PolarHBondContact O-N 3.14Å; F46-P60 WeakPolarHBondContact CE1-O 3.25Å; F46-L61 HydrophobicContact CD1-CD1 4.44Å; F46-R64 HydrophobicContact CE1-CB 4.14Å; F46-R64 HydrophobicContact CZ-CB 3.83Å; F46-R64 HydrophobicContact CZ-CG 4.5Å; F46-W65 AromaticContact CD1-CZ3 3.88Å; F46-W65 HydrophobicContact CD1-CZ3 3.88Å; F46-W65 HydrophobicContact CD2-CH2 4.13Å; F46-W65 AromaticContact CD2-CZ3 3.84Å; F46-W65 HydrophobicContact CD2-CZ3 3.84Å; F46-W65 HydrophobicContact CE1-CE3 4.38Å; F46-W65 AromaticContact CE1-CZ3 3.84Å; F46-W65 HydrophobicContact CE1-CZ3 3.84Å; F46-W65 HydrophobicContact CE2-CH2 4.01Å; F46-W65 AromaticContact CE2-CZ3 3.78Å; F46-W65 HydrophobicContact CE2-CZ3 3.78Å; F46-W65 AromaticContact CG-CZ3 3.88Å; F46-W65 HydrophobicContact CG-CZ3 3.88Å; F46-W65 HydrophobicContact CZ-CH2 4.38Å; F46-W65 AromaticContact CZ-CZ3 3.8Å; F46-W65 HydrophobicContact CZ-CZ3 3.8Å
47	W	95.3	Very high	94.3	Very high	8 Å²	8	47.5 Å²	47.5	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.3	170.3	-60.8	-96.3	0	0	0	110.1	P20 Y39 I40 K42 V55 P58	P20-W47 HydrophobicContact CB-CH2 3.75Å; P20-W47 HydrophobicContact CB-CZ2 4.24Å; P20-W47 HydrophobicContact CG-CH2 3.72Å; P20-W47 HydrophobicContact CG-CZ2 4.3Å; P20-W47 WeakPolarHBondContact O-CZ2 3.09Å; Y39-W47 WeakPolarHBondContact CA-O 3.33Å; I40-W47 HydrophobicContact CB-CE3 4.17Å; I40-W47 HydrophobicContact CG2-CE3 4.13Å; I40-W47 PolarHBondContact N-O 2.88Å; I40-W47 PolarHBondContact O-N 3.49Å; K42-W47 HydrophobicContact CB-CH2 3.93Å; K42-W47 HydrophobicContact CB-CZ3 3.65Å; W47-V55 HydrophobicContact CB-CG1 4.14Å; W47-V55 HydrophobicContact CG-CG1 4.36Å; W47-P58 HydrophobicContact CZ2-CB 3.7Å; W47-P58 HydrophobicContact CZ2-CG 4.44Å
48	E	96.1	Very high	94.1	Very high	35 Å²	35	47 Å²	47	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.8	169.6	-64.3	-176.4	-149.3	0	0	107.6	Q37 L38 Y39 F46 V55 S56 R59 R64	Q37-E48 VanDerWaalsContact NE2-C 3.25Å; L38-E48 CarbonylContact O-C 3.46Å; L38-E48 WeakPolarHBondContact O-CA 3.46Å; Y39-E48 HydrophobicContact CD1-CG 3.91Å; Y39-E48 HydrophobicContact CE1-CG 3.79Å; F46-E48 HydrophobicContact CD2-CG 4.14Å; F46-E48 HydrophobicContact CE2-CG 3.7Å; F46-E48 WeakPolarHBondContact CE2-OE1 3.34Å; E48-V55 WeakPolarHBondContact O-CA 3.22Å; E48-S56 PolarHBondContact N-OG 3.14Å; E48-S56 PolarHBondContact O-N 3.3Å; E48-R59 IonicContact OE1-NH1 3.22Å; E48-R59 PolarHBondContact OE1-NH1 3.2Å; E48-R64 IonicContact OE1-CZ 3.96Å; E48-R64 IonicContact OE1-NH1 2.68Å; E48-R64 PolarHBondContact OE1-NH1 3.04Å; E48-R64 IonicContact OE2-NH1 3.91Å; E48-R64 PolarHBondContact OE2-NH1 3.25Å
49	V	95.8	Very high	94	Very high	25 Å²	25	48 Å²	48	15%	0.152	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.8	174.1	-172.6	0	0	0	0	110	Q37 L38 I40 N54 V55	Q37-V49 PolarHBondContact NE2-O 2.86Å; L38-V49 HydrophobicContact CB-CB 4.21Å; L38-V49 HydrophobicContact CD2-CB 4.34Å; L38-V49 HydrophobicContact CD2-CG2 4.23Å; L38-V49 PolarHBondContact N-O 3.2Å; L38-V49 PolarHBondContact O-N 2.91Å; I40-V49 HydrophobicContact CD1-CG2 3.85Å; I40-V49 HydrophobicContact CG1-CG2 4.33Å; V49-N54 CarbonylContact C-O 3.57Å; V49-N54 WeakPolarHBondContact CA-O 3.17Å; V49-V55 HydrophobicContact CG1-CG2 4.14Å; V49-V55 HydrophobicContact CG2-CG1 4.15Å; V49-V55 HydrophobicContact CG2-CG2 4.05Å
50	A	95.4	Very high	93.9	Very high	30 Å²	30	50.7 Å²	50.7	25%	0.248	30%	0.302	C	S	.	.			trans	-68.1	162.6	178.9	0	0	0	0	0	111.1	D52 G53 N54	A50-D52 WeakPolarHBondContact CB-OD1 3.33Å; A50-D52 PolarHBondContact O-N 2.89Å; A50-D52 VanDerWaalsContact O-N 3.12Å; A50-G53 WeakPolarHBondContact O-CA 3.46Å; A50-G53 PolarHBondContact O-N 3.43Å; A50-N54 HydrophobicContact CB-CB 4.42Å; A50-N54 PolarHBondContact N-O 2.88Å
51	A	92.6	Very high	93.9	Very high	78 Å²	78	49.7 Å²	49.7	65%	0.645	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.4	-177.9	0	0	0	0	0	113.8	Q36 G53	Q36-A51 HydrophobicContact CB-CB 4.25Å; A51-G53 VanDerWaalsContact C-N 3.28Å
52	D	93.1	Very high	93.9	Very high	114 Å²	114	53.2 Å²	53.2	61%	0.61	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.9	174.1	65.6	1.9	0	0	0	113.6	A50 N54	A50-D52 WeakPolarHBondContact CB-OD1 3.33Å; A50-D52 PolarHBondContact O-N 2.89Å; A50-D52 VanDerWaalsContact O-N 3.12Å; D52-N54 VanDerWaalsContact OD1-CB 3.28Å; D52-N54 WeakPolarHBondContact OD1-CB 3.42Å; D52-N54 PolarHBondContact OD1-N 3.38Å; D52-N54 PolarHBondContact OD1-ND2 2.84Å; D52-N54 PolarHBondContact OD2-ND2 2.68Å
53	G	89.2	Confident	94	Very high	46 Å²	46	56 Å²	56	47%	0.474	33%	0.327	S	S	.	.	S	Bend	trans	88.9	0.9	-179.7	0	0	0	0	0	114.7	A50 A51 V55	A50-G53 WeakPolarHBondContact O-CA 3.46Å; A50-G53 PolarHBondContact O-N 3.43Å; A51-G53 VanDerWaalsContact C-N 3.28Å; G53-V55 WeakPolarHBondContact O-CG2 3.09Å; G53-V55 PolarHBondContact O-N 2.75Å
54	N	92.3	Very high	94.1	Very high	105 Å²	105	59.6 Å²	59.6	56%	0.561	33%	0.333	S	S	*	.			trans	-67.3	131.8	175.3	-75.3	-41.5	0	0	0	111.2	V49 A50 D52	V49-N54 CarbonylContact C-O 3.57Å; V49-N54 WeakPolarHBondContact CA-O 3.17Å; A50-N54 HydrophobicContact CB-CB 4.42Å; A50-N54 PolarHBondContact N-O 2.88Å; D52-N54 VanDerWaalsContact OD1-CB 3.28Å; D52-N54 WeakPolarHBondContact OD1-CB 3.42Å; D52-N54 PolarHBondContact OD1-N 3.38Å; D52-N54 PolarHBondContact OD1-ND2 2.84Å; D52-N54 PolarHBondContact OD2-ND2 2.68Å
55	V	92.7	Very high	94.2	Very high	73 Å²	73	58.6 Å²	58.6	44%	0.442	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-111.5	136.2	-175.4	-170.7	0	0	0	0	110.1	W47 E48 V49 G53	W47-V55 HydrophobicContact CB-CG1 4.14Å; W47-V55 HydrophobicContact CG-CG1 4.36Å; E48-V55 WeakPolarHBondContact O-CA 3.22Å; V49-V55 HydrophobicContact CG1-CG2 4.14Å; V49-V55 HydrophobicContact CG2-CG1 4.15Å; V49-V55 HydrophobicContact CG2-CG2 4.05Å; G53-V55 WeakPolarHBondContact O-CG2 3.09Å; G53-V55 PolarHBondContact O-N 2.75Å
56	S	93.3	Very high	94.2	Very high	39 Å²	39	62.4 Å²	62.4	27%	0.273	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-71.4	170	172.6	75	0	0	0	0	112.6	E48	E48-S56 PolarHBondContact N-OG 3.14Å; E48-S56 PolarHBondContact O-N 3.3Å
57	E	92.5	Very high	94.2	Very high	133 Å²	133	65.6 Å²	65.6	62%	0.621	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-67.1	157.8	157.9	-71.1	-61.6	138.2	0	0	110.4	R59	E57-R59 PolarHBondContact O-N 3.26Å
58	P	92.6	Very high	94.1	Very high	31 Å²	31	66.9 Å²	66.9	20%	0.201	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-61.9	128	174.5	22.4	-29.9	0	0	0	110.7	H45 W47	H45-P58 HydrophobicContact CB-CB 4.37Å; W47-P58 HydrophobicContact CZ2-CB 3.7Å; W47-P58 HydrophobicContact CZ2-CG 4.44Å
59	R	94.4	Very high	94	Very high	78 Å²	78	67.1 Å²	67.1	29%	0.294	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.4	177.9	-63.8	-178.4	67.7	-165.4	7	110.9	H45 F46 E48 E57 L61 E63	H45-R59 CarbonylContact C-O 2.96Å; H45-R59 WeakPolarHBondContact CA-O 3.32Å; F46-R59 HydrophobicContact CD1-CB 4.11Å; F46-R59 VanDerWaalsContact CD1-O 3.25Å; F46-R59 WeakPolarHBondContact CD1-O 3.49Å; F46-R59 HydrophobicContact CE1-CB 3.62Å; F46-R59 HydrophobicContact CZ-CB 3.86Å; F46-R59 PolarHBondContact N-O 2.79Å; F46-R59 PolarHBondContact O-N 3.14Å; E48-R59 IonicContact OE1-NH1 3.22Å; E48-R59 PolarHBondContact OE1-NH1 3.2Å; E57-R59 PolarHBondContact O-N 3.26Å; R59-L61 PolarHBondContact O-N 3.43Å; R59-E63 IonicContact CZ-OE1 3.2Å; R59-E63 IonicContact NE-OE1 2.81Å; R59-E63 IonicContact NE-OE2 3.58Å; R59-E63 IonicContact NH2-OE1 3.62Å; R59-E63 PolarHBondContact NH2-OE1 2.97Å; R59-E63 IonicContact NH2-OE2 2.9Å
60	P	95	Very high	93.7	Very high	60 Å²	60	70.3 Å²	70.3	39%	0.39	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	131.5	173.3	-22.7	33.4	0	0	0	111.8	S44 F46 Q62 E63	S44-P60 WeakPolarHBondContact O-CA 3.14Å; F46-P60 WeakPolarHBondContact CE1-O 3.25Å; P60-Q62 PolarHBondContact O-N 3.3Å; P60-E63 HydrophobicContact CB-CB 4.36Å; P60-E63 WeakPolarHBondContact CD-OE2 3.2Å; P60-E63 VanDerWaalsContact O-CB 3.22Å; P60-E63 WeakPolarHBondContact O-CB 3.4Å; P60-E63 PolarHBondContact O-N 3.19Å
61	L	95.4	Very high	93.5	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.01	42%	0.418	C	S	.	.	H	α-helix	trans	-54.4	-40.7	179.1	-175	70.2	0	0	0	112.2	F41 S44 F46 R59 E63 R64 W65 L68 P69 I72	F41-L61 HydrophobicContact CD1-CD1 3.6Å; F41-L61 HydrophobicContact CE1-CD1 3.59Å; S44-L61 PolarHBondContact O-N 2.89Å; F46-L61 HydrophobicContact CD1-CD1 4.44Å; R59-L61 PolarHBondContact O-N 3.43Å; L61-E63 PolarHBondContact O-N 2.82Å; L61-R64 PolarHBondContact O-N 3.17Å; L61-W65 HydrophobicContact CD1-CE3 3.62Å; L61-W65 HydrophobicContact CD1-CZ3 3.97Å; L61-W65 HydrophobicContact CG-CE3 4.5Å; L61-W65 PolarHBondContact O-N 2.93Å; L61-L68 HydrophobicContact CD1-CD1 4.17Å; L61-L68 HydrophobicContact CD2-CB 4.09Å; L61-L68 HydrophobicContact CD2-CD1 4.05Å; L61-L68 HydrophobicContact CG-CB 4.49Å; L61-L68 HydrophobicContact CG-CD1 4.09Å; L61-P69 WeakPolarHBondContact CD2-O 3.38Å; L61-I72 HydrophobicContact CD2-CG2 4.35Å
62	Q	95.3	Very high	93.7	Very high	77 Å²	77	68.3 Å²	68.3	36%	0.36	39%	0.388	S	S	.	.	H	α-helix	trans	-67.9	-16.8	179.8	-64.1	-56.5	-58.1	0	0	114.1	P60 R64 V66 L68	P60-Q62 PolarHBondContact O-N 3.3Å; Q62-R64 VanDerWaalsContact C-N 3.33Å; Q62-V66 WeakPolarHBondContact O-CG2 3.31Å; Q62-L68 VanDerWaalsContact NE2-C 3.32Å; Q62-L68 PolarHBondContact NE2-O 2.78Å
63	E	95.4	Very high	93.9	Very high	112 Å²	112	68 Å²	68	52%	0.523	38%	0.383	S	S	.	.	H	α-helix	trans	-68.4	-36.6	177.6	-167.7	-171.2	148.8	0	0	111	R59 P60 L61	R59-E63 IonicContact CZ-OE1 3.2Å; R59-E63 IonicContact NE-OE1 2.81Å; R59-E63 IonicContact NE-OE2 3.58Å; R59-E63 IonicContact NH2-OE1 3.62Å; R59-E63 PolarHBondContact NH2-OE1 2.97Å; R59-E63 IonicContact NH2-OE2 2.9Å; P60-E63 HydrophobicContact CB-CB 4.36Å; P60-E63 WeakPolarHBondContact CD-OE2 3.2Å; P60-E63 VanDerWaalsContact O-CB 3.22Å; P60-E63 WeakPolarHBondContact O-CB 3.4Å; P60-E63 PolarHBondContact O-N 3.19Å; L61-E63 PolarHBondContact O-N 2.82Å
64	R	95.3	Very high	94.3	Very high	100 Å²	100	67.8 Å²	67.8	38%	0.377	38%	0.376	S	S	.	.	H	α-helix	trans	-101.8	-37	-178.2	-173.3	164.7	-177.9	156.4	-4.7	113.1	Y39 F46 E48 L61 Q62	Y39-R64 PolarHBondContact OH-NH2 2.8Å; F46-R64 HydrophobicContact CE1-CB 4.14Å; F46-R64 HydrophobicContact CZ-CB 3.83Å; F46-R64 HydrophobicContact CZ-CG 4.5Å; E48-R64 IonicContact OE1-CZ 3.96Å; E48-R64 IonicContact OE1-NH1 2.68Å; E48-R64 PolarHBondContact OE1-NH1 3.04Å; E48-R64 IonicContact OE2-NH1 3.91Å; E48-R64 PolarHBondContact OE2-NH1 3.25Å; L61-R64 PolarHBondContact O-N 3.17Å; Q62-R64 VanDerWaalsContact C-N 3.33Å
65	W	96.1	Very high	94.6	Very high	34 Å²	34	63.5 Å²	63.5	13%	0.129	36%	0.355	C	S	.	.	S	Bend	trans	-122.8	80.7	-179	-59.7	-80.8	0	0	0	110.5	Y39 F41 F46 L61 G67 L68 F84 F86	Y39-W65 AromaticContact CD1-CH2 3.83Å; Y39-W65 HydrophobicContact CD1-CH2 3.83Å; Y39-W65 HydrophobicContact CD1-CZ2 4.46Å; Y39-W65 HydrophobicContact CE1-CH2 4.2Å; F41-W65 HydrophobicContact CE1-CE3 4.18Å; F41-W65 AromaticContact CE1-CH2 3.75Å; F41-W65 HydrophobicContact CE1-CH2 3.75Å; F41-W65 AromaticContact CE1-CZ3 3.49Å; F41-W65 HydrophobicContact CE1-CZ3 3.49Å; F41-W65 VanDerWaalsContact CE1-CZ3 3.49Å; F41-W65 AromaticContact CZ-CH2 3.7Å; F41-W65 HydrophobicContact CZ-CH2 3.7Å; F41-W65 HydrophobicContact CZ-CZ2 4.38Å; F41-W65 AromaticContact CZ-CZ3 3.97Å; F41-W65 HydrophobicContact CZ-CZ3 3.97Å; F46-W65 AromaticContact CD1-CZ3 3.88Å; F46-W65 HydrophobicContact CD1-CZ3 3.88Å; F46-W65 HydrophobicContact CD2-CH2 4.13Å; F46-W65 AromaticContact CD2-CZ3 3.84Å; F46-W65 HydrophobicContact CD2-CZ3 3.84Å; F46-W65 HydrophobicContact CE1-CE3 4.38Å; F46-W65 AromaticContact CE1-CZ3 3.84Å; F46-W65 HydrophobicContact CE1-CZ3 3.84Å; F46-W65 HydrophobicContact CE2-CH2 4.01Å; F46-W65 AromaticContact CE2-CZ3 3.78Å; F46-W65 HydrophobicContact CE2-CZ3 3.78Å; F46-W65 AromaticContact CG-CZ3 3.88Å; F46-W65 HydrophobicContact CG-CZ3 3.88Å; F46-W65 HydrophobicContact CZ-CH2 4.38Å; F46-W65 AromaticContact CZ-CZ3 3.8Å; F46-W65 HydrophobicContact CZ-CZ3 3.8Å; L61-W65 HydrophobicContact CD1-CE3 3.62Å; L61-W65 HydrophobicContact CD1-CZ3 3.97Å; L61-W65 HydrophobicContact CG-CE3 4.5Å; L61-W65 PolarHBondContact O-N 2.93Å; W65-G67 PolarHBondContact O-N 3.04Å; W65-L68 HydrophobicContact CB-CD1 3.39Å; W65-L68 HydrophobicContact CB-CG 3.72Å; W65-L68 HydrophobicContact CG-CD1 3.99Å; W65-L68 PolarHBondContact O-N 3.34Å; W65-F84 HydrophobicContact CH2-CE1 4.44Å; W65-F84 AromaticContact CZ2-CD1 3.76Å; W65-F84 HydrophobicContact CZ2-CD1 3.76Å; W65-F84 AromaticContact CZ2-CE1 3.72Å; W65-F84 HydrophobicContact CZ2-CE1 3.72Å; W65-F84 HydrophobicContact CZ2-CG 4.19Å; W65-F84 HydrophobicContact CZ2-CZ 4.11Å; W65-F84 AromaticContact NE1-CG 3.92Å; W65-F86 AromaticContact CD1-CE2 3.61Å; W65-F86 AromaticContact CD1-CZ 3.81Å; W65-F86 HydrophobicContact CD2-CE2 4.27Å; W65-F86 AromaticContact CD2-CZ 3.71Å; W65-F86 HydrophobicContact CD2-CZ 3.71Å; W65-F86 AromaticContact CE2-CZ 3.55Å; W65-F86 HydrophobicContact CE3-CZ 4.36Å; W65-F86 AromaticContact CG-CE2 3.94Å; W65-F86 HydrophobicContact CG-CE2 3.94Å; W65-F86 AromaticContact CG-CZ 3.87Å; W65-F86 HydrophobicContact CG-CZ 3.87Å; W65-F86 HydrophobicContact CZ2-CZ 4.05Å; W65-F86 AromaticContact NE1-CE2 3.74Å; W65-F86 AromaticContact NE1-CZ 3.61Å
66	V	96	Very high	94.8	Very high	130 Å²	130	62 Å²	62	79%	0.788	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	132.7	178.4	179.7	0	0	0	0	110.2	Q62 L68	Q62-V66 WeakPolarHBondContact O-CG2 3.31Å; V66-L68 VanDerWaalsContact C-N 3.33Å
67	G	93.6	Very high	95	Very high	67 Å²	67	61 Å²	61	69%	0.691	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-3.2	175.8	0	0	0	0	0	114	W65	W65-G67 PolarHBondContact O-N 3.04Å
68	L	95.1	Very high	95.3	Very high	36 Å²	36	55.9 Å²	55.9	19%	0.188	32%	0.321	C	S	.	.			trans	-62.8	155.7	165.7	-74.2	-171.7	0	0	0	110.4	L61 Q62 W65 V66 F86	L61-L68 HydrophobicContact CD1-CD1 4.17Å; L61-L68 HydrophobicContact CD2-CB 4.09Å; L61-L68 HydrophobicContact CD2-CD1 4.05Å; L61-L68 HydrophobicContact CG-CB 4.49Å; L61-L68 HydrophobicContact CG-CD1 4.09Å; Q62-L68 VanDerWaalsContact NE2-C 3.32Å; Q62-L68 PolarHBondContact NE2-O 2.78Å; W65-L68 HydrophobicContact CB-CD1 3.39Å; W65-L68 HydrophobicContact CB-CG 3.72Å; W65-L68 HydrophobicContact CG-CD1 3.99Å; W65-L68 PolarHBondContact O-N 3.34Å; V66-L68 VanDerWaalsContact C-N 3.33Å; L68-F86 HydrophobicContact CD1-CD1 3.91Å; L68-F86 HydrophobicContact CD1-CD2 3.72Å; L68-F86 HydrophobicContact CD1-CE1 3.95Å; L68-F86 HydrophobicContact CD1-CE2 3.77Å; L68-F86 HydrophobicContact CD1-CG 3.78Å; L68-F86 HydrophobicContact CD1-CZ 3.88Å; L68-F86 HydrophobicContact CD2-CB 4.01Å; L68-F86 HydrophobicContact CD2-CD2 3.79Å; L68-F86 HydrophobicContact CD2-CE2 4.5Å; L68-F86 HydrophobicContact CD2-CG 3.96Å; L68-F86 HydrophobicContact CG-CD2 4.35Å
69	P	93.3	Very high	95.3	Very high	40 Å²	40	60.8 Å²	60.8	26%	0.26	35%	0.345	S	S	.	.			trans	-68.3	166.1	168.2	27.8	-33.5	0	0	0	111.4	L61 N71 K88	L61-P69 WeakPolarHBondContact CD2-O 3.38Å; P69-N71 WeakPolarHBondContact CG-O 3.29Å; P69-N71 PolarHBondContact O-N 3.01Å; P69-K88 HydrophobicContact CB-CD 3.51Å; P69-K88 HydrophobicContact CG-CB 4.39Å; P69-K88 HydrophobicContact CG-CD 3.21Å; P69-K88 HydrophobicContact CG-CG 4.39Å
70	P	89.1	Confident	95.4	Very high	91 Å²	91	63.8 Å²	63.8	59%	0.591	37%	0.367	S	S	*	.	S	Bend	trans	-63.7	-10.4	-178.4	-24.6	34.6	0	0	0	115.8	G43 S44	G43-P70 CarbonylContact C-O 3.56Å; S44-P70 WeakPolarHBondContact CA-O 3.44Å; S44-P70 WeakPolarHBondContact CB-O 3.38Å; S44-P70 PolarHBondContact N-O 2.83Å
71	N	92.3	Very high	95.4	Very high	64 Å²	64	64.9 Å²	64.9	34%	0.342	37%	0.37	S	S	.	.			trans	-156.6	153.3	176.1	72.5	-65.7	0	0	0	108.6	P69 K88	P69-N71 WeakPolarHBondContact CG-O 3.29Å; P69-N71 PolarHBondContact O-N 3.01Å; N71-K88 PolarHBondContact O-NZ 2.92Å; N71-K88 PolarHBondContact OD1-NZ 2.72Å
72	I	96.5	Very high	95.4	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.015	38%	0.379	C	S	.	.			trans	-124.2	166.2	178.4	60	170	0	0	0	109.4	D28 A29 F41 L61 A75 F86	D28-I72 WeakPolarHBondContact CB-O 3.37Å; A29-I72 HydrophobicContact CB-CD1 3.98Å; A29-I72 HydrophobicContact CB-CG1 4.35Å; F41-I72 HydrophobicContact CB-CD1 3.94Å; F41-I72 HydrophobicContact CB-CG1 4.24Å; F41-I72 HydrophobicContact CD1-CD1 3.8Å; F41-I72 HydrophobicContact CD2-CD1 4.04Å; F41-I72 HydrophobicContact CE1-CD1 4.29Å; F41-I72 HydrophobicContact CG-CD1 3.65Å; F41-I72 HydrophobicContact CG-CG1 4.46Å; L61-I72 HydrophobicContact CD2-CG2 4.35Å; I72-A75 HydrophobicContact CD1-CB 4.07Å; I72-F86 HydrophobicContact CD1-CD1 3.56Å; I72-F86 HydrophobicContact CD1-CE1 3.96Å; I72-F86 HydrophobicContact CG2-CB 4.26Å; I72-F86 HydrophobicContact CG2-CD1 4.16Å
73	E	96.3	Very high	95.5	Very high	108 Å²	108	66.3 Å²	66.3	51%	0.505	39%	0.385	S	S	.	.	S	Bend	trans	-112.1	-26.3	179.2	-65.4	174.5	162.5	0	0	112.8	D28 F87 A89	D28-E73 VanDerWaalsContact O-O 3.05Å; E73-F87 PolarHBondContact N-O 2.96Å; E73-A89 WeakPolarHBondContact OE2-CB 3.44Å; E73-A89 PolarHBondContact OE2-N 3.35Å
74	A	97.8	Very high	95.6	Very high	40 Å²	40	63.2 Å²	63.2	33%	0.331	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	157.3	172.1	0	0	0	0	0	110.3	F87	A74-F87 HydrophobicContact CB-CB 4.07Å; A74-F87 HydrophobicContact CB-CD2 3.84Å; A74-F87 HydrophobicContact CB-CG 4.26Å; A74-F87 PolarHBondContact O-N 2.95Å
75	A	97.9	Very high	95.7	Very high	15 Å²	15	63.9 Å²	63.9	12%	0.124	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.6	171.7	0	0	0	0	0	109.2	A29 T31 F41 I72 Y85 F86	A29-A75 HydrophobicContact CB-CB 4.19Å; T31-A75 HydrophobicContact CG2-CB 4.1Å; F41-A75 HydrophobicContact CD2-CB 4.31Å; F41-A75 HydrophobicContact CE2-CB 3.94Å; I72-A75 HydrophobicContact CD1-CB 4.07Å; A75-Y85 CarbonylContact C-O 3.49Å; A75-Y85 VanDerWaalsContact CA-O 3.26Å; A75-Y85 WeakPolarHBondContact CA-O 3.45Å; A75-F86 HydrophobicContact CB-CD1 3.99Å; A75-F86 HydrophobicContact CB-CE1 4.06Å
76	A	97.9	Very high	95.8	Very high	41 Å²	41	64.6 Å²	64.6	34%	0.339	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	150.2	172.7	0	0	0	0	0	109.8	Y85 F87	A76-Y85 PolarHBondContact N-O 3.22Å; A76-Y85 PolarHBondContact O-N 2.78Å; A76-F87 HydrophobicContact CB-CE2 4.45Å
77	V	98.4	Very high	95.8	Very high	19 Å²	19	64 Å²	64	12%	0.115	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.5	172	177.1	0	0	0	0	109	T31 V32 D33 D83 F84	T31-V77 HydrophobicContact CG2-CG2 3.91Å; T31-V77 PolarHBondContact OG1-N 3.22Å; V32-V77 WeakPolarHBondContact O-CB 3.33Å; V32-V77 WeakPolarHBondContact O-CG2 3.35Å; D33-V77 HydrophobicContact CB-CG1 4.44Å; D33-V77 HydrophobicContact CB-CG2 4.42Å; V77-D83 WeakPolarHBondContact CA-O 3.48Å; V77-F84 HydrophobicContact CG2-CD1 3.65Å; V77-F84 HydrophobicContact CG2-CD2 4.21Å; V77-F84 HydrophobicContact CG2-CE1 3.55Å; V77-F84 HydrophobicContact CG2-CE2 4.12Å; V77-F84 HydrophobicContact CG2-CG 3.99Å; V77-F84 HydrophobicContact CG2-CZ 3.8Å
78	S	97.5	Very high	95.7	Very high	25 Å²	25	65.3 Å²	65.3	18%	0.175	35%	0.351	C	S	.	.			trans	-72.5	128	173.5	158.2	0	0	0	0	110.3	N80 D81 G82 D83	S78-N80 PolarHBondContact O-N 2.94Å; S78-N80 PolarHBondContact OG-N 3.48Å; S78-D81 WeakPolarHBondContact CB-OD1 3.5Å; S78-D81 PolarHBondContact OG-OD1 3.12Å; S78-G82 WeakPolarHBondContact O-CA 3.47Å; S78-G82 PolarHBondContact O-N 2.9Å; S78-D83 PolarHBondContact N-O 2.81Å
79	L	93.5	Very high	94.9	Very high	135 Å²	135	69.9 Å²	69.9	71%	0.707	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.2	178.3	-62.7	179.6	0	0	0	113	R34	R34-L79 PolarHBondContact NE-O 2.86Å; R34-L79 VanDerWaalsContact NE-O 3.14Å; R34-L79 PolarHBondContact NH2-O 2.89Å
80	N	95.4	Very high	95	Very high	141 Å²	141	71.4 Å²	71.4	75%	0.754	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-56.4	-177.4	-69	-19.5	0	0	0	111.3	R34 S78	R34-N80 PolarHBondContact NH1-O 2.71Å; R34-N80 PolarHBondContact NH2-O 3.08Å; S78-N80 PolarHBondContact O-N 2.94Å; S78-N80 PolarHBondContact OG-N 3.48Å
81	D	95.3	Very high	95.3	Very high	82 Å²	82	70.3 Å²	70.3	44%	0.439	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-27.1	-176.7	45.7	31.1	0	0	0	112.7	S78 D83	S78-D81 WeakPolarHBondContact CB-OD1 3.5Å; S78-D81 PolarHBondContact OG-OD1 3.12Å; D81-D83 PolarHBondContact OD1-N 2.86Å
82	G	96.3	Very high	95.5	Very high	21 Å²	21	70.7 Å²	70.7	22%	0.216	39%	0.393	C	S	.	.			trans	90.9	9.2	-174.6	0	0	0	0	0	113.7	S78	S78-G82 WeakPolarHBondContact O-CA 3.47Å; S78-G82 PolarHBondContact O-N 2.9Å
83	D	97	Very high	95.4	Very high	89 Å²	89	74.6 Å²	74.6	48%	0.476	42%	0.415	S	S	.	.			trans	-73.7	144.2	-177.9	-70.6	-20.6	0	0	0	111.7	V77 S78 D81 Y85	V77-D83 WeakPolarHBondContact CA-O 3.48Å; S78-D83 PolarHBondContact N-O 2.81Å; D81-D83 PolarHBondContact OD1-N 2.86Å; D83-Y85 HydrophobicContact CB-CE2 3.93Å; D83-Y85 WeakPolarHBondContact O-CD2 3.28Å
84	F	97.7	Very high	95.4	Very high	46 Å²	46	72.6 Å²	72.6	20%	0.202	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131	176	-74.6	-106.5	0	0	0	110.5	T31 D33 Y39 W65 V77 F86	T31-F84 HydrophobicContact CG2-CD1 4.19Å; T31-F84 HydrophobicContact CG2-CE1 3.88Å; D33-F84 HydrophobicContact CB-CE2 4.47Å; D33-F84 HydrophobicContact CB-CZ 4.06Å; Y39-F84 AromaticContact CD2-CE1 3.88Å; Y39-F84 HydrophobicContact CD2-CE1 3.88Å; Y39-F84 AromaticContact CD2-CZ 3.97Å; Y39-F84 HydrophobicContact CD2-CZ 3.97Å; Y39-F84 HydrophobicContact CE1-CZ 4.34Å; Y39-F84 HydrophobicContact CE2-CE1 4.02Å; Y39-F84 AromaticContact CE2-CZ 3.6Å; Y39-F84 HydrophobicContact CE2-CZ 3.6Å; Y39-F84 HydrophobicContact CG-CE1 4.16Å; Y39-F84 HydrophobicContact CG-CZ 4.5Å; Y39-F84 AromaticContact CZ-CZ 3.78Å; W65-F84 HydrophobicContact CH2-CE1 4.44Å; W65-F84 AromaticContact CZ2-CD1 3.76Å; W65-F84 HydrophobicContact CZ2-CD1 3.76Å; W65-F84 AromaticContact CZ2-CE1 3.72Å; W65-F84 HydrophobicContact CZ2-CE1 3.72Å; W65-F84 HydrophobicContact CZ2-CG 4.19Å; W65-F84 HydrophobicContact CZ2-CZ 4.11Å; W65-F84 AromaticContact NE1-CG 3.92Å; V77-F84 HydrophobicContact CG2-CD1 3.65Å; V77-F84 HydrophobicContact CG2-CD2 4.21Å; V77-F84 HydrophobicContact CG2-CE1 3.55Å; V77-F84 HydrophobicContact CG2-CE2 4.12Å; V77-F84 HydrophobicContact CG2-CG 3.99Å; V77-F84 HydrophobicContact CG2-CZ 3.8Å; F84-F86 HydrophobicContact CB-CD2 4.42Å; F84-F86 HydrophobicContact CB-CE2 3.54Å; F84-F86 HydrophobicContact CB-CZ 3.77Å; F84-F86 HydrophobicContact CD1-CZ 4.01Å; F84-F86 HydrophobicContact CG-CE2 4.46Å; F84-F86 HydrophobicContact CG-CZ 4.26Å
85	Y	97.3	Very high	95.2	Very high	114 Å²	114	74.7 Å²	74.7	45%	0.447	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.9	174.3	-64.8	-94.6	0	0	0	109.1	A75 A76 D83	A75-Y85 CarbonylContact C-O 3.49Å; A75-Y85 VanDerWaalsContact CA-O 3.26Å; A75-Y85 WeakPolarHBondContact CA-O 3.45Å; A76-Y85 PolarHBondContact N-O 3.22Å; A76-Y85 PolarHBondContact O-N 2.78Å; D83-Y85 HydrophobicContact CB-CE2 3.93Å; D83-Y85 WeakPolarHBondContact O-CD2 3.28Å
86	F	97.6	Very high	95	Very high	49 Å²	49	79 Å²	79	22%	0.215	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.7	-177.3	-61.9	-80.8	0	0	0	110.3	F41 W65 L68 I72 A75 F84	F41-F86 AromaticContact CE1-CE1 3.99Å; F41-F86 HydrophobicContact CE1-CE1 3.99Å; F41-F86 AromaticContact CZ-CE1 3.87Å; F41-F86 HydrophobicContact CZ-CE1 3.87Å; F41-F86 HydrophobicContact CZ-CZ 4.47Å; W65-F86 AromaticContact CD1-CE2 3.61Å; W65-F86 AromaticContact CD1-CZ 3.81Å; W65-F86 HydrophobicContact CD2-CE2 4.27Å; W65-F86 AromaticContact CD2-CZ 3.71Å; W65-F86 HydrophobicContact CD2-CZ 3.71Å; W65-F86 AromaticContact CE2-CZ 3.55Å; W65-F86 HydrophobicContact CE3-CZ 4.36Å; W65-F86 AromaticContact CG-CE2 3.94Å; W65-F86 HydrophobicContact CG-CE2 3.94Å; W65-F86 AromaticContact CG-CZ 3.87Å; W65-F86 HydrophobicContact CG-CZ 3.87Å; W65-F86 HydrophobicContact CZ2-CZ 4.05Å; W65-F86 AromaticContact NE1-CE2 3.74Å; W65-F86 AromaticContact NE1-CZ 3.61Å; L68-F86 HydrophobicContact CD1-CD1 3.91Å; L68-F86 HydrophobicContact CD1-CD2 3.72Å; L68-F86 HydrophobicContact CD1-CE1 3.95Å; L68-F86 HydrophobicContact CD1-CE2 3.77Å; L68-F86 HydrophobicContact CD1-CG 3.78Å; L68-F86 HydrophobicContact CD1-CZ 3.88Å; L68-F86 HydrophobicContact CD2-CB 4.01Å; L68-F86 HydrophobicContact CD2-CD2 3.79Å; L68-F86 HydrophobicContact CD2-CE2 4.5Å; L68-F86 HydrophobicContact CD2-CG 3.96Å; L68-F86 HydrophobicContact CG-CD2 4.35Å; I72-F86 HydrophobicContact CD1-CD1 3.56Å; I72-F86 HydrophobicContact CD1-CE1 3.96Å; I72-F86 HydrophobicContact CG2-CB 4.26Å; I72-F86 HydrophobicContact CG2-CD1 4.16Å; A75-F86 HydrophobicContact CB-CD1 3.99Å; A75-F86 HydrophobicContact CB-CE1 4.06Å; F84-F86 HydrophobicContact CB-CD2 4.42Å; F84-F86 HydrophobicContact CB-CE2 3.54Å; F84-F86 HydrophobicContact CB-CZ 3.77Å; F84-F86 HydrophobicContact CD1-CZ 4.01Å; F84-F86 HydrophobicContact CG-CE2 4.46Å; F84-F86 HydrophobicContact CG-CZ 4.26Å
87	F	96.8	Very high	94.8	Very high	118 Å²	118	81.9 Å²	81.9	52%	0.518	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.6	-179.1	-56.9	-96.7	0	0	0	110.1	E73 A74 A76	E73-F87 PolarHBondContact N-O 2.96Å; A74-F87 HydrophobicContact CB-CB 4.07Å; A74-F87 HydrophobicContact CB-CD2 3.84Å; A74-F87 HydrophobicContact CB-CG 4.26Å; A74-F87 PolarHBondContact O-N 2.95Å; A76-F87 HydrophobicContact CB-CE2 4.45Å
88	K	91.1	Very high	94.5	Very high	94 Å²	94	87.2 Å²	87.2	41%	0.409	47%	0.471	S	S	.	.			trans	-149.5	133.9	174.9	179.7	164.7	-165.8	141	0	109.7	P69 N71	P69-K88 HydrophobicContact CB-CD 3.51Å; P69-K88 HydrophobicContact CG-CB 4.39Å; P69-K88 HydrophobicContact CG-CD 3.21Å; P69-K88 HydrophobicContact CG-CG 4.39Å; N71-K88 PolarHBondContact O-NZ 2.92Å; N71-K88 PolarHBondContact OD1-NZ 2.72Å
89	A	78.5	Confident	94.2	Very high	132 Å²	132	92.8 Å²	92.8	100%	1.091	50%	0.498	S	S	*	.			trans	-80.6	0	168.2	0	0	0	0	0	113.3	E73	E73-A89 WeakPolarHBondContact OE2-CB 3.44Å; E73-A89 PolarHBondContact OE2-N 3.35Å

Retrieved 89 of 89 residues in 47.3 ms (Link to these results)

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