A0A087WZM5_HUMAN Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A087WZM5, Species HUMAN (Homo sapiens, Human), Gene FKBP1A, Length 94 aa.

						>A0A087WZM5_HUMAN|A0A087WZM5|FKBP1A
MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGGIFIRFKNKKSEKSHPHAIPSDQYPHKKLLLLMFLVLWFKHI
					

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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	39.8	Very low	57.2	Low	194 Å²	194	107.1 Å²	107.1	96%	0.956	63%	0.629	S	S	*	*				0	91.8	0	-69.5	-81.3	-110.1	0	0	108	H78 K79	M1-H78 HydrophobicContact CE-CB 4.46Å; M1-H78 VanDerWaalsContact CE-O 3.24Å; M1-H78 WeakPolarHBondContact CE-O 3.28Å; M1-K79 HydrophobicContact CE-CG 4.44Å
2	G	50.3	Low	57.8	Low	55 Å²	55	106.4 Å²	106.4	57%	0.567	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-99.7	160.6	-175.7	0	0	0	0	0	112.5	K80	G2-K80 WeakPolarHBondContact O-CE 3.34Å
3	V	55.8	Low	58.1	Low	117 Å²	117	102.1 Å²	102.1	71%	0.709	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-80.9	128.4	163.8	177.5	0	0	0	0	107	V5	V3-V5 HydrophobicContact CG1-CG2 3.88Å
4	Q	51.3	Low	58.1	Low	139 Å²	139	111.1 Å²	111.1	65%	0.65	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-90.6	128.6	167.6	-80.8	176.9	12	0	0	107.6	K80	Q4-K80 VanDerWaalsContact CD-NZ 3.27Å
5	V	62.3	Low	58	Low	98 Å²	98	109.5 Å²	109.5	59%	0.594	62%	0.624	S	S	*	*			trans	-114.6	107.6	-177.3	176	0	0	0	0	107.7	V3 L84	V3-V5 HydrophobicContact CG1-CG2 3.88Å; V5-L84 HydrophobicContact CB-CD1 4.35Å; V5-L84 HydrophobicContact CB-CD2 4.28Å; V5-L84 HydrophobicContact CG1-CD1 3.74Å; V5-L84 HydrophobicContact CG1-CD2 3.97Å; V5-L84 HydrophobicContact CG1-CG 4.48Å; V5-L84 HydrophobicContact CG2-CD1 4.24Å
6	E	61	Low	58.5	Low	142 Å²	142	112.4 Å²	112.4	66%	0.664	63%	0.628	S	S	*	*			trans	-103.6	124.1	169.8	-68	-174.4	172.4	0	0	111.2	I8 L84	E6-I8 PolarHBondContact O-N 2.88Å; E6-L84 HydrophobicContact CB-CD2 4.36Å; E6-L84 WeakPolarHBondContact O-CD2 3.47Å
7	T	61.7	Low	58.9	Low	99 Å²	99	108.4 Å²	108.4	61%	0.607	61%	0.608	S	S	*	*			trans	-84.5	105.5	178.1	-60.1	0	0	0	0	109.2	S9	T7-S9 VanDerWaalsContact CG2-O 3.28Å; T7-S9 WeakPolarHBondContact CG2-O 3.45Å
8	I	70.3	Confident	59.5	Low	128 Å²	128	110.6 Å²	110.6	66%	0.656	61%	0.61	S	S	*	*	S	Bend	trans	-71.5	-35.2	178.1	-57.2	171.5	0	0	0	111	E6 M85	E6-I8 PolarHBondContact O-N 2.88Å; I8-M85 HydrophobicContact CD1-CG 3.51Å
9	S	53.3	Low	60.1	Low	56 Å²	56	116.9 Å²	116.9	39%	0.392	62%	0.624	S	S	.	*	S	Bend	trans	-146.4	130.3	176.3	-172.4	0	0	0	0	109	T7 G11 V88	T7-S9 VanDerWaalsContact CG2-O 3.28Å; T7-S9 WeakPolarHBondContact CG2-O 3.45Å; S9-G11 PolarHBondContact O-N 2.85Å; S9-V88 WeakPolarHBondContact O-CG1 3.1Å
10	P	59.5	Low	60.4	Low	110 Å²	110	113.5 Å²	113.5	71%	0.714	62%	0.617	S	S	*	*			trans	-65.4	131.9	178.2	26.2	-32	0	0	0	109.9
11	G	63.8	Low	61	Low	40 Å²	40	112.1 Å²	112.1	41%	0.412	61%	0.607	S	S	.	*			trans	-77.5	-175.4	168.1	0	0	0	0	0	111.3	S9 G13 V88	S9-G11 PolarHBondContact O-N 2.85Å; G11-G13 PolarHBondContact O-N 2.85Å; G11-V88 VanDerWaalsContact CA-CG1 3.41Å
12	D	64.4	Low	62.5	Low	99 Å²	99	107.2 Å²	107.2	53%	0.529	59%	0.588	S	S	.	*			trans	-67.1	-8.7	-175	-59.6	-45	0	0	0	114.1	R14	D12-R14 PolarHBondContact O-N 2.92Å
13	G	61.3	Low	63.4	Low	50 Å²	50	104.8 Å²	104.8	52%	0.515	56%	0.562	S	S	.	*	S	Bend	trans	61.1	-10	-177.9	0	0	0	0	0	115.1	G11 F16	G11-G13 PolarHBondContact O-N 2.85Å; G13-F16 WeakPolarHBondContact O-CE2 3.4Å
14	R	58.6	Low	64.3	Low	228 Å²	228	100.3 Å²	100.3	86%	0.86	54%	0.535	S	S	*	.	S	Bend	trans	-75.4	-57.1	175.5	43.8	74.2	170.2	-141.4	-7.8	113.6	D12	D12-R14 PolarHBondContact O-N 2.92Å
15	T	57.2	Low	65.3	Low	88 Å²	88	94 Å²	94	54%	0.54	51%	0.506	S	S	.	.			trans	-105.2	95.8	-158.5	-50.5	0	0	0	0	109.2	F91	T15-F91 HydrophobicContact CG2-CD1 3.78Å; T15-F91 HydrophobicContact CG2-CE1 3.99Å
16	F	65.4	Low	66	Low	156 Å²	156	91.2 Å²	91.2	68%	0.684	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-99.7	130.5	171.5	-62.6	-81.3	0	0	0	109.6	G13	G13-F16 WeakPolarHBondContact O-CE2 3.4Å
17	P	66.1	Low	66.4	Low	44 Å²	44	85.9 Å²	85.9	29%	0.286	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-75.5	136.9	-176.6	32.8	-37.1	0	0	0	111.5	C23 L51 F91	P17-C23 WeakPolarHBondContact CB-SG 3.33Å; P17-L51 HydrophobicContact CB-CD1 3.3Å; P17-L51 HydrophobicContact CG-CD1 3.51Å; P17-F91 HydrophobicContact CB-CE1 4.23Å; P17-F91 HydrophobicContact CB-CZ 3.61Å; P17-F91 HydrophobicContact CG-CE2 4.21Å; P17-F91 HydrophobicContact CG-CZ 3.75Å
18	K	68.8	Low	66.9	Low	148 Å²	148	81.8 Å²	81.8	64%	0.643	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-91.6	156.7	-173.6	-61.6	-178.9	-179.2	178.4	0	110.9	G20 Q21	K18-G20 PolarHBondContact O-N 3.18Å; K18-Q21 HydrophobicContact CB-CG 4.26Å; K18-Q21 VanDerWaalsContact N-OE1 3.07Å; K18-Q21 WeakPolarHBondContact O-CB 3.17Å; K18-Q21 PolarHBondContact O-N 2.89Å
19	R	70.3	Confident	67	Low	231 Å²	231	76 Å²	76	87%	0.872	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	133.5	170.1	-68.8	-176.5	-179.2	179.5	0.6	109.3
20	G	67.7	Low	67.9	Low	48 Å²	48	76.6 Å²	76.6	50%	0.495	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-12	-175.7	0	0	0	0	0	115	K18 L51	K18-G20 PolarHBondContact O-N 3.18Å; G20-L51 WeakPolarHBondContact CA-O 3.48Å; G20-L51 PolarHBondContact N-O 3.19Å
21	Q	71.8	Confident	68.4	Low	85 Å²	85	75 Å²	75	40%	0.397	39%	0.39	S	S	.	.			trans	-80.3	143.8	178.7	-66.4	-176.6	-8.9	0	0	111.8	K18 C23 M50 L51	K18-Q21 HydrophobicContact CB-CG 4.26Å; K18-Q21 VanDerWaalsContact N-OE1 3.07Å; K18-Q21 WeakPolarHBondContact O-CB 3.17Å; K18-Q21 PolarHBondContact O-N 2.89Å; Q21-C23 PolarHBondContact O-N 2.82Å; Q21-M50 WeakPolarHBondContact O-CA 3.24Å; Q21-L51 PolarHBondContact O-N 2.83Å
22	T	71.3	Confident	68.5	Low	90 Å²	90	81.8 Å²	81.8	55%	0.552	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	108.3	170.8	-63	0	0	0	0	108.6	V24 K48 F49	T22-V24 HydrophobicContact CG2-CG2 4.24Å; T22-K48 HydrophobicContact CG2-CB 4.01Å; T22-F49 CarbonylContact C-O 3.55Å; T22-F49 WeakPolarHBondContact CA-O 3.19Å
23	C	70.4	Confident	68.7	Low	5 Å²	5	84 Å²	84	3%	0.034	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	142.7	168.5	-78.7	0	0	0	0	109.6	P17 Q21 K48 F49 L51	P17-C23 WeakPolarHBondContact CB-SG 3.33Å; Q21-C23 PolarHBondContact O-N 2.82Å; C23-K48 CarbonylContact O-C 3.54Å; C23-K48 WeakPolarHBondContact O-CA 3.47Å; C23-F49 HydrophobicContact CB-CD1 4.23Å; C23-F49 HydrophobicContact CB-CE1 3.72Å; C23-F49 HydrophobicContact CB-CE2 4.18Å; C23-F49 HydrophobicContact CB-CZ 3.69Å; C23-F49 PolarHBondContact N-O 2.84Å; C23-F49 PolarHBondContact O-N 2.93Å; C23-L51 HydrophobicContact CB-CD1 4.49Å; C23-L51 HydrophobicContact CB-CG 4.44Å; C23-L51 WeakPolarHBondContact SG-CD1 3.33Å
24	V	73.8	Confident	69	Low	23 Å²	23	84.1 Å²	84.1	14%	0.139	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.6	173	-170.8	0	0	0	0	109	T22 P46 F47 K48 W90	T22-V24 HydrophobicContact CG2-CG2 4.24Å; V24-P46 HydrophobicContact CG1-CB 3.55Å; V24-P46 HydrophobicContact CG1-CG 4.15Å; V24-F47 WeakPolarHBondContact CA-O 3.44Å; V24-K48 HydrophobicContact CB-CG 4.16Å; V24-K48 HydrophobicContact CG1-CB 4.5Å; V24-K48 HydrophobicContact CG1-CD 4.44Å; V24-K48 HydrophobicContact CG1-CG 3.69Å; V24-K48 HydrophobicContact CG2-CB 3.94Å; V24-K48 HydrophobicContact CG2-CD 3.67Å; V24-K48 HydrophobicContact CG2-CG 3.5Å; V24-W90 HydrophobicContact CB-CE3 3.36Å; V24-W90 HydrophobicContact CB-CH2 4.46Å; V24-W90 HydrophobicContact CB-CZ3 3.22Å; V24-W90 HydrophobicContact CG1-CE3 3.33Å; V24-W90 HydrophobicContact CG1-CH2 3.87Å; V24-W90 HydrophobicContact CG1-CZ3 2.94Å; V24-W90 HydrophobicContact CG2-CE3 4.49Å; V24-W90 HydrophobicContact CG2-CZ3 4Å
25	V	72.6	Confident	69.6	Low	7 Å²	7	80.4 Å²	80.4	4%	0.042	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	148	-168	-57.4	0	0	0	0	109.9	F47 F49 L87	V25-F47 HydrophobicContact CG2-CB 4.35Å; V25-F47 HydrophobicContact CG2-CD1 4.06Å; V25-F47 PolarHBondContact N-O 3.03Å; V25-F47 PolarHBondContact O-N 2.73Å; V25-F49 HydrophobicContact CB-CE1 4.47Å; V25-F49 HydrophobicContact CG1-CE1 3.83Å; V25-F49 HydrophobicContact CG2-CD1 4.2Å; V25-F49 HydrophobicContact CG2-CE1 3.77Å; V25-L87 HydrophobicContact CB-CD1 4.2Å; V25-L87 HydrophobicContact CG1-CB 4.44Å; V25-L87 HydrophobicContact CG1-CD1 3.55Å; V25-L87 HydrophobicContact CG1-CG 3.79Å; V25-L87 HydrophobicContact CG2-CD1 4.33Å
26	H	76.3	Confident	70.2	Confident	38 Å²	38	82.6 Å²	82.6	18%	0.176	42%	0.416	C	S	.	.			trans	-87.9	153.9	157.7	-68.9	-76.3	0	0	0	108.2	S40 R41 F86	H26-S40 WeakPolarHBondContact CA-OG 3.29Å; H26-S40 WeakPolarHBondContact CB-OG 3.34Å; H26-S40 PolarHBondContact ND1-OG 2.86Å; H26-R41 HydrophobicContact CB-CG 4.32Å; H26-F86 HydrophobicContact CB-CB 3.6Å; H26-F86 HydrophobicContact CB-CD2 4.4Å; H26-F86 HydrophobicContact CB-CG 4.07Å; H26-F86 CarbonylContact O-C 3.42Å; H26-F86 WeakPolarHBondContact O-CB 2.95Å
27	Y	70.6	Confident	70.3	Confident	30 Å²	30	79.2 Å²	79.2	12%	0.118	40%	0.401	C	S	.	.			trans	-147.5	152.5	168.3	70.7	-92.1	0	0	0	109.2	D38 S40 R43 F47	Y27-D38 HydrophobicContact CE2-CB 4.15Å; Y27-D38 PolarHBondContact OH-OD2 3.35Å; Y27-S40 PolarHBondContact N-OG 2.97Å; Y27-S40 PolarHBondContact O-N 2.78Å; Y27-S40 PolarHBondContact O-OG 2.9Å; Y27-R43 PolarHBondContact OH-NH2 2.84Å; Y27-F47 HydrophobicContact CD1-CB 4.02Å; Y27-F47 HydrophobicContact CD1-CG 4.43Å; Y27-F47 HydrophobicContact CE1-CB 3.81Å; Y27-F47 HydrophobicContact CE1-CD2 4.35Å; Y27-F47 HydrophobicContact CE1-CG 4Å
28	T	70.8	Confident	70.2	Confident	14 Å²	14	77.9 Å²	77.9	9%	0.086	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	113.3	167.2	-57	0	0	0	0	105.9	M30 K36 D38	T28-M30 HydrophobicContact CG2-CE 3.77Å; T28-M30 HydrophobicContact CG2-CG 4.31Å; T28-K36 HydrophobicContact CG2-CD 4.5Å; T28-D38 CarbonylContact C-O 3.56Å; T28-D38 WeakPolarHBondContact CA-O 3.47Å
29	G	74.2	Confident	70.2	Confident	6 Å²	6	71 Å²	71	6%	0.062	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.6	173.9	0	0	0	0	0	110.3	F37 D38	G29-F37 VanDerWaalsContact O-CD1 3.29Å; G29-F37 WeakPolarHBondContact O-CD1 3.19Å; G29-F37 PolarHBondContact O-N 2.82Å; G29-D38 PolarHBondContact N-O 3.12Å; G29-D38 PolarHBondContact O-N 3.18Å
30	M	70.3	Confident	70.2	Confident	68 Å²	68	60 Å²	60	34%	0.335	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.3	173.8	-58	-171.5	-177.8	0	0	109.3	T28 K36 M85	T28-M30 HydrophobicContact CG2-CE 3.77Å; T28-M30 HydrophobicContact CG2-CG 4.31Å; M30-K36 HydrophobicContact CE-CD 4.4Å; M30-K36 HydrophobicContact CE-CG 4.1Å; M30-K36 HydrophobicContact CG-CG 4.13Å; M30-M85 HydrophobicContact CE-CE 3.79Å; M30-M85 HydrophobicContact SD-CE 4.38Å
31	L	71.4	Confident	70.5	Confident	77 Å²	77	63 Å²	63	40%	0.403	32%	0.317	S	S	.	.			trans	-76.4	162.6	167.8	-62.1	175.4	0	0	0	109.6	D33 G34 K35 F37	L31-D33 PolarHBondContact O-N 3.37Å; L31-G34 PolarHBondContact O-N 3.28Å; L31-K35 HydrophobicContact CD1-CB 4.29Å; L31-K35 PolarHBondContact N-O 3.33Å; L31-F37 HydrophobicContact CD2-CD1 4.18Å; L31-F37 HydrophobicContact CG-CB 4.36Å; L31-F37 HydrophobicContact CG-CD1 4.41Å
32	E	65.1	Low	70.4	Confident	183 Å²	183	64.7 Å²	64.7	86%	0.855	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.8	175.8	-68.9	-174.7	136.9	0	0	111.9	G34	E32-G34 PolarHBondContact O-N 3.47Å; E32-G34 VanDerWaalsContact O-N 3.12Å
33	D	69.8	Low	70.4	Confident	145 Å²	145	65.8 Å²	65.8	78%	0.775	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	7.1	174.3	-56.3	-34.6	0	0	0	114	L31 K35	L31-D33 PolarHBondContact O-N 3.37Å; D33-K35 PolarHBondContact O-N 3.02Å
34	G	66.4	Low	70.2	Confident	52 Å²	52	72.8 Å²	72.8	54%	0.536	36%	0.36	S	S	.	.	S	Bend	trans	76.1	-3.6	-177.8	0	0	0	0	0	114.8	L31 E32 K36	L31-G34 PolarHBondContact O-N 3.28Å; E32-G34 PolarHBondContact O-N 3.47Å; E32-G34 VanDerWaalsContact O-N 3.12Å; G34-K36 PolarHBondContact O-N 3.2Å
35	K	72.2	Confident	70.2	Confident	150 Å²	150	79 Å²	79	65%	0.652	39%	0.385	S	S	*	.			trans	-74.2	122.9	178	-172.4	174.8	-178.1	177.7	0	110.9	L31 D33 F37	L31-K35 HydrophobicContact CD1-CB 4.29Å; L31-K35 PolarHBondContact N-O 3.33Å; D33-K35 PolarHBondContact O-N 3.02Å; K35-F37 PolarHBondContact O-N 3.19Å
36	K	68.6	Low	70.1	Confident	135 Å²	135	80.4 Å²	80.4	59%	0.587	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.7	174.6	-61.5	178.3	-172.5	174.5	0	109.7	T28 M30 G34	T28-K36 HydrophobicContact CG2-CD 4.5Å; M30-K36 HydrophobicContact CE-CD 4.4Å; M30-K36 HydrophobicContact CE-CG 4.1Å; M30-K36 HydrophobicContact CG-CG 4.13Å; G34-K36 PolarHBondContact O-N 3.2Å
37	F	67	Low	70	Confident	84 Å²	84	80.9 Å²	80.9	37%	0.368	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-32.9	177.6	76.1	-100.7	0	0	0	112.8	G29 L31 K35	G29-F37 VanDerWaalsContact O-CD1 3.29Å; G29-F37 WeakPolarHBondContact O-CD1 3.19Å; G29-F37 PolarHBondContact O-N 2.82Å; L31-F37 HydrophobicContact CD2-CD1 4.18Å; L31-F37 HydrophobicContact CG-CB 4.36Å; L31-F37 HydrophobicContact CG-CD1 4.41Å; K35-F37 PolarHBondContact O-N 3.19Å
38	D	64.3	Low	70	Confident	16 Å²	16	86.1 Å²	86.1	9%	0.086	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	141.5	178.7	-166.8	6.9	0	0	0	110.4	Y27 T28 G29 R43	Y27-D38 HydrophobicContact CE2-CB 4.15Å; Y27-D38 PolarHBondContact OH-OD2 3.35Å; T28-D38 CarbonylContact C-O 3.56Å; T28-D38 WeakPolarHBondContact CA-O 3.47Å; G29-D38 PolarHBondContact N-O 3.12Å; G29-D38 PolarHBondContact O-N 3.18Å; D38-R43 VanDerWaalsContact CG-CZ 3.46Å; D38-R43 VanDerWaalsContact CG-NH1 3.28Å; D38-R43 IonicContact OD1-CZ 2.91Å; D38-R43 IonicContact OD1-NE 3.44Å; D38-R43 PolarHBondContact OD1-NE 3.43Å; D38-R43 IonicContact OD1-NH1 2.97Å; D38-R43 PolarHBondContact OD1-NH1 3.08Å; D38-R43 IonicContact OD1-NH2 3.12Å; D38-R43 PolarHBondContact OD1-NH2 2.96Å; D38-R43 VanDerWaalsContact OD1-NH2 3.12Å; D38-R43 IonicContact OD2-CZ 3.19Å; D38-R43 IonicContact OD2-NH1 2.9Å; D38-R43 PolarHBondContact OD2-NH1 3.21Å; D38-R43 IonicContact OD2-NH2 2.86Å; D38-R43 PolarHBondContact OD2-NH2 2.91Å
39	S	69.8	Low	70	Confident	5 Å²	5	86.7 Å²	86.7	4%	0.035	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	115.7	177.8	173.1	0	0	0	0	108	R41 D42 R43	S39-R41 PolarHBondContact O-N 3.44Å; S39-R41 PolarHBondContact OG-N 2.91Å; S39-D42 WeakPolarHBondContact CB-OD1 3.45Å; S39-D42 WeakPolarHBondContact CB-OD2 3.5Å; S39-D42 PolarHBondContact O-N 2.67Å; S39-D42 PolarHBondContact OG-N 2.8Å; S39-D42 PolarHBondContact OG-OD1 2.92Å; S39-R43 PolarHBondContact O-N 3.45Å
40	S	70.3	Confident	69.7	Low	0 Å²	0	92 Å²	92	0%	0	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.5	171.2	62.4	0	0	0	0	112.6	H26 Y27 N44 K45	H26-S40 WeakPolarHBondContact CA-OG 3.29Å; H26-S40 WeakPolarHBondContact CB-OG 3.34Å; H26-S40 PolarHBondContact ND1-OG 2.86Å; Y27-S40 PolarHBondContact N-OG 2.97Å; Y27-S40 PolarHBondContact O-N 2.78Å; Y27-S40 PolarHBondContact O-OG 2.9Å; S40-N44 PolarHBondContact O-N 3.38Å; S40-K45 PolarHBondContact O-N 3.25Å
41	R	72.6	Confident	69.5	Low	110 Å²	110	90.7 Å²	90.7	42%	0.415	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-42.3	175.6	-70.6	-177	168.4	-163.9	-9.7	110.7	H26 S39 R43 N44 F86	H26-R41 HydrophobicContact CB-CG 4.32Å; S39-R41 PolarHBondContact O-N 3.44Å; S39-R41 PolarHBondContact OG-N 2.91Å; R41-R43 PolarHBondContact O-N 3.44Å; R41-N44 PolarHBondContact O-N 2.78Å; R41-N44 PolarHBondContact O-OD1 3.4Å; R41-F86 VanDerWaalsContact NH1-CZ 3.34Å; R41-F86 VanDerWaalsContact NH2-CD1 3.27Å
42	D	71.3	Confident	68.7	Low	120 Å²	120	89.8 Å²	89.8	64%	0.642	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-31.5	179.8	-57.6	3.8	0	0	0	110.8	S39 N44	S39-D42 WeakPolarHBondContact CB-OD1 3.45Å; S39-D42 WeakPolarHBondContact CB-OD2 3.5Å; S39-D42 PolarHBondContact O-N 2.67Å; S39-D42 PolarHBondContact OG-N 2.8Å; S39-D42 PolarHBondContact OG-OD1 2.92Å; D42-N44 VanDerWaalsContact C-N 3.28Å; D42-N44 PolarHBondContact O-N 2.88Å
43	R	69.8	Low	67.9	Low	114 Å²	114	83 Å²	83	43%	0.43	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.9	175.2	-64.3	-169.1	-60.5	-146	-7.1	114.2	Y27 D38 S39 R41 K45	Y27-R43 PolarHBondContact OH-NH2 2.84Å; D38-R43 VanDerWaalsContact CG-CZ 3.46Å; D38-R43 VanDerWaalsContact CG-NH1 3.28Å; D38-R43 IonicContact OD1-CZ 2.91Å; D38-R43 IonicContact OD1-NE 3.44Å; D38-R43 PolarHBondContact OD1-NE 3.43Å; D38-R43 IonicContact OD1-NH1 2.97Å; D38-R43 PolarHBondContact OD1-NH1 3.08Å; D38-R43 IonicContact OD1-NH2 3.12Å; D38-R43 PolarHBondContact OD1-NH2 2.96Å; D38-R43 VanDerWaalsContact OD1-NH2 3.12Å; D38-R43 IonicContact OD2-CZ 3.19Å; D38-R43 IonicContact OD2-NH1 2.9Å; D38-R43 PolarHBondContact OD2-NH1 3.21Å; D38-R43 IonicContact OD2-NH2 2.86Å; D38-R43 PolarHBondContact OD2-NH2 2.91Å; S39-R43 PolarHBondContact O-N 3.45Å; R41-R43 PolarHBondContact O-N 3.44Å; R43-K45 HydrophobicContact CB-CB 4.44Å; R43-K45 WeakPolarHBondContact O-CB 3.15Å; R43-K45 PolarHBondContact O-N 2.91Å
44	N	67.6	Low	66.4	Low	151 Å²	151	84 Å²	84	81%	0.807	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	26.2	-172.5	-78.3	-37.9	0	0	0	113.8	S40 R41 D42	S40-N44 PolarHBondContact O-N 3.38Å; R41-N44 PolarHBondContact O-N 2.78Å; R41-N44 PolarHBondContact O-OD1 3.4Å; D42-N44 VanDerWaalsContact C-N 3.28Å; D42-N44 PolarHBondContact O-N 2.88Å
45	K	72.6	Confident	65	Low	155 Å²	155	90 Å²	90	67%	0.674	44%	0.442	S	S	*	.			trans	-129.6	108.3	-173	-169.7	169.9	-176.4	171.8	0	108.9	S40 R43	S40-K45 PolarHBondContact O-N 3.25Å; R43-K45 HydrophobicContact CB-CB 4.44Å; R43-K45 WeakPolarHBondContact O-CB 3.15Å; R43-K45 PolarHBondContact O-N 2.91Å
46	P	72.3	Confident	63.6	Low	36 Å²	36	86.5 Å²	86.5	23%	0.234	43%	0.43	C	S	.	.			trans	-70.1	144	-178.8	31.3	-36	0	0	0	110.2	V24 W90	V24-P46 HydrophobicContact CG1-CB 3.55Å; V24-P46 HydrophobicContact CG1-CG 4.15Å; P46-W90 HydrophobicContact CB-CH2 3.84Å; P46-W90 HydrophobicContact CB-CZ2 4.32Å; P46-W90 HydrophobicContact CB-CZ3 4.09Å; P46-W90 HydrophobicContact CG-CH2 3.73Å; P46-W90 HydrophobicContact CG-CZ2 4.34Å; P46-W90 HydrophobicContact CG-CZ3 4.32Å
47	F	72.2	Confident	62.2	Low	48 Å²	48	89.2 Å²	89.2	21%	0.211	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.5	-177	-179.3	-105	0	0	0	110	V24 V25 Y27 F49 I56 F58	V24-F47 WeakPolarHBondContact CA-O 3.44Å; V25-F47 HydrophobicContact CG2-CB 4.35Å; V25-F47 HydrophobicContact CG2-CD1 4.06Å; V25-F47 PolarHBondContact N-O 3.03Å; V25-F47 PolarHBondContact O-N 2.73Å; Y27-F47 HydrophobicContact CD1-CB 4.02Å; Y27-F47 HydrophobicContact CD1-CG 4.43Å; Y27-F47 HydrophobicContact CE1-CB 3.81Å; Y27-F47 HydrophobicContact CE1-CD2 4.35Å; Y27-F47 HydrophobicContact CE1-CG 4Å; F47-F49 HydrophobicContact CD1-CB 4.45Å; F47-F49 AromaticContact CD1-CD1 3.84Å; F47-F49 HydrophobicContact CD1-CD1 3.84Å; F47-F49 HydrophobicContact CE1-CB 3.78Å; F47-F49 AromaticContact CE1-CD1 3.78Å; F47-F49 HydrophobicContact CE1-CD1 3.78Å; F47-F49 HydrophobicContact CE1-CG 4.07Å; F47-F49 HydrophobicContact CZ-CB 4.3Å; F47-I56 HydrophobicContact CE1-CG2 4.49Å; F47-F58 HydrophobicContact CD1-CE1 4.05Å; F47-F58 HydrophobicContact CE1-CD1 4.05Å; F47-F58 AromaticContact CE1-CE1 3.53Å; F47-F58 HydrophobicContact CE1-CE1 3.53Å; F47-F58 HydrophobicContact CE1-CZ 4.16Å; F47-F58 HydrophobicContact CE2-CD1 4.4Å; F47-F58 AromaticContact CZ-CD1 3.88Å; F47-F58 HydrophobicContact CZ-CD1 3.88Å; F47-F58 AromaticContact CZ-CE1 3.86Å; F47-F58 HydrophobicContact CZ-CE1 3.86Å
48	K	72.2	Confident	61	Low	140 Å²	140	88.2 Å²	88.2	61%	0.609	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	128	178.2	-47.4	-159.6	174.3	-177.9	0	109.8	T22 C23 V24	T22-K48 HydrophobicContact CG2-CB 4.01Å; C23-K48 CarbonylContact O-C 3.54Å; C23-K48 WeakPolarHBondContact O-CA 3.47Å; V24-K48 HydrophobicContact CB-CG 4.16Å; V24-K48 HydrophobicContact CG1-CB 4.5Å; V24-K48 HydrophobicContact CG1-CD 4.44Å; V24-K48 HydrophobicContact CG1-CG 3.69Å; V24-K48 HydrophobicContact CG2-CB 3.94Å; V24-K48 HydrophobicContact CG2-CD 3.67Å; V24-K48 HydrophobicContact CG2-CG 3.5Å
49	F	69.6	Low	59.7	Low	26 Å²	26	95.4 Å²	95.4	11%	0.114	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.4	173.3	70.2	-82.7	0	0	0	111	T22 C23 V25 F47 L51 I56 L87	T22-F49 CarbonylContact C-O 3.55Å; T22-F49 WeakPolarHBondContact CA-O 3.19Å; C23-F49 HydrophobicContact CB-CD1 4.23Å; C23-F49 HydrophobicContact CB-CE1 3.72Å; C23-F49 HydrophobicContact CB-CE2 4.18Å; C23-F49 HydrophobicContact CB-CZ 3.69Å; C23-F49 PolarHBondContact N-O 2.84Å; C23-F49 PolarHBondContact O-N 2.93Å; V25-F49 HydrophobicContact CB-CE1 4.47Å; V25-F49 HydrophobicContact CG1-CE1 3.83Å; V25-F49 HydrophobicContact CG2-CD1 4.2Å; V25-F49 HydrophobicContact CG2-CE1 3.77Å; F47-F49 HydrophobicContact CD1-CB 4.45Å; F47-F49 AromaticContact CD1-CD1 3.84Å; F47-F49 HydrophobicContact CD1-CD1 3.84Å; F47-F49 HydrophobicContact CE1-CB 3.78Å; F47-F49 AromaticContact CE1-CD1 3.78Å; F47-F49 HydrophobicContact CE1-CD1 3.78Å; F47-F49 HydrophobicContact CE1-CG 4.07Å; F47-F49 HydrophobicContact CZ-CB 4.3Å; F49-L51 HydrophobicContact CE2-CD2 3.62Å; F49-L51 HydrophobicContact CE2-CG 4.07Å; F49-L51 HydrophobicContact CZ-CD2 4.31Å; F49-I56 HydrophobicContact CD2-CD1 3.79Å; F49-I56 HydrophobicContact CD2-CG1 4.21Å; F49-I56 HydrophobicContact CD2-CG2 4.47Å; F49-I56 HydrophobicContact CE2-CD1 3.63Å; F49-I56 HydrophobicContact CZ-CD1 4.46Å; F49-L87 HydrophobicContact CE1-CD1 4.29Å; F49-L87 HydrophobicContact CZ-CD1 4.15Å
50	M	68.3	Low	58.2	Low	118 Å²	118	99.2 Å²	99.2	58%	0.581	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.3	178	-159.2	173.4	75.5	0	0	109.9	Q21	Q21-M50 WeakPolarHBondContact O-CA 3.24Å
51	L	66.9	Low	56.5	Low	40 Å²	40	108.3 Å²	108.3	21%	0.209	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	138.3	177.1	-78.2	169.3	0	0	0	111.1	P17 G20 Q21 C23 F49	P17-L51 HydrophobicContact CB-CD1 3.3Å; P17-L51 HydrophobicContact CG-CD1 3.51Å; G20-L51 WeakPolarHBondContact CA-O 3.48Å; G20-L51 PolarHBondContact N-O 3.19Å; Q21-L51 PolarHBondContact O-N 2.83Å; C23-L51 HydrophobicContact CB-CD1 4.49Å; C23-L51 HydrophobicContact CB-CG 4.44Å; C23-L51 WeakPolarHBondContact SG-CD1 3.33Å; F49-L51 HydrophobicContact CE2-CD2 3.62Å; F49-L51 HydrophobicContact CE2-CG 4.07Å; F49-L51 HydrophobicContact CZ-CD2 4.31Å
52	G	53.8	Low	54.7	Low	58 Å²	58	111.2 Å²	111.2	60%	0.598	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	-3.5	178.4	0	0	0	0	0	114.9	I54	G52-I54 PolarHBondContact O-N 3Å
53	G	48.8	Very low	52.8	Low	39 Å²	39	110.6 Å²	110.6	40%	0.402	54%	0.543	S	S	.	.			trans	-69	123.3	161.1	0	0	0	0	0	109.5	F55	G53-F55 PolarHBondContact O-N 2.85Å
54	I	38.8	Very low	51.2	Low	167 Å²	167	113.9 Å²	113.9	86%	0.856	56%	0.563	S	S	*	*	S	Bend	trans	-56.1	-10.5	-174.4	-109.8	156.4	0	0	0	114.1	G52	G52-I54 PolarHBondContact O-N 3Å
55	F	36.2	Very low	49.5	Very low	177 Å²	177	115.6 Å²	115.6	78%	0.776	56%	0.564	S	S	*	*			trans	-141.5	116.5	170.3	-88	-95.7	0	0	0	110.7	G53 R57	G53-F55 PolarHBondContact O-N 2.85Å; F55-R57 PolarHBondContact O-N 3.2Å
56	I	42.7	Very low	47.5	Very low	77 Å²	77	113.1 Å²	113.1	40%	0.395	57%	0.566	S	S	.	*			trans	-76.5	84.2	159.3	-53.3	176.5	0	0	0	106.4	F47 F49 F58	F47-I56 HydrophobicContact CE1-CG2 4.49Å; F49-I56 HydrophobicContact CD2-CD1 3.79Å; F49-I56 HydrophobicContact CD2-CG1 4.21Å; F49-I56 HydrophobicContact CD2-CG2 4.47Å; F49-I56 HydrophobicContact CE2-CD1 3.63Å; F49-I56 HydrophobicContact CZ-CD1 4.46Å; I56-F58 HydrophobicContact CB-CE2 4.34Å; I56-F58 HydrophobicContact CG2-CD2 4.07Å; I56-F58 HydrophobicContact CG2-CE2 3.59Å; I56-F58 HydrophobicContact CG2-CZ 3.85Å; I56-F58 PolarHBondContact O-N 3.12Å; I56-F58 VanDerWaalsContact O-N 3.08Å
57	R	39.7	Very low	45.4	Very low	192 Å²	192	120 Å²	120	73%	0.725	59%	0.594	S	S	*	*			trans	-76.3	97.4	174.1	-165.1	168.6	-173	-163.9	2	107.8	F55 K59	F55-R57 PolarHBondContact O-N 3.2Å; R57-K59 HydrophobicContact CG-CG 4.42Å; R57-K59 PolarHBondContact O-N 2.93Å
58	F	41.4	Very low	43.7	Very low	64 Å²	64	123.1 Å²	123.1	28%	0.281	62%	0.619	S	S	.	*			trans	-61.8	91.2	164	-70.5	-87.1	0	0	0	107.6	F47 I56 N60 L81 L83	F47-F58 HydrophobicContact CD1-CE1 4.05Å; F47-F58 HydrophobicContact CE1-CD1 4.05Å; F47-F58 AromaticContact CE1-CE1 3.53Å; F47-F58 HydrophobicContact CE1-CE1 3.53Å; F47-F58 HydrophobicContact CE1-CZ 4.16Å; F47-F58 HydrophobicContact CE2-CD1 4.4Å; F47-F58 AromaticContact CZ-CD1 3.88Å; F47-F58 HydrophobicContact CZ-CD1 3.88Å; F47-F58 AromaticContact CZ-CE1 3.86Å; F47-F58 HydrophobicContact CZ-CE1 3.86Å; I56-F58 HydrophobicContact CB-CE2 4.34Å; I56-F58 HydrophobicContact CG2-CD2 4.07Å; I56-F58 HydrophobicContact CG2-CE2 3.59Å; I56-F58 HydrophobicContact CG2-CZ 3.85Å; I56-F58 PolarHBondContact O-N 3.12Å; I56-F58 VanDerWaalsContact O-N 3.08Å; F58-N60 PolarHBondContact O-N 2.96Å; F58-L81 HydrophobicContact CD2-CD2 4.04Å; F58-L81 HydrophobicContact CE2-CD2 3.9Å; F58-L83 HydrophobicContact CE1-CD1 3.88Å; F58-L83 HydrophobicContact CE2-CD1 3.93Å; F58-L83 HydrophobicContact CE2-CD2 3.85Å; F58-L83 HydrophobicContact CZ-CD1 3.31Å; F58-L83 HydrophobicContact CZ-CD2 3.74Å; F58-L83 HydrophobicContact CZ-CG 4.16Å
59	K	37.9	Very low	41.8	Very low	166 Å²	166	124.9 Å²	124.9	72%	0.722	63%	0.63	S	S	*	*			trans	-70.1	92.6	164.5	-74.2	-158.3	177.1	-174.8	0	105.9	R57 K61	R57-K59 HydrophobicContact CG-CG 4.42Å; R57-K59 PolarHBondContact O-N 2.93Å; K59-K61 PolarHBondContact O-N 2.8Å
60	N	36.4	Very low	40	Very low	86 Å²	86	127.5 Å²	127.5	46%	0.46	66%	0.656	S	S	.	*			trans	-63.9	91.1	164.4	-156.3	-10.3	0	0	0	105.7	F58 K62	F58-N60 PolarHBondContact O-N 2.96Å; N60-K62 PolarHBondContact O-N 3.38Å
61	K	34.9	Very low	38.6	Very low	190 Å²	190	127.9 Å²	127.9	83%	0.826	66%	0.659	S	S	*	*			trans	-71.7	88.2	175.9	-157	-179.5	-173.1	179.9	0	104.4	K59 S63	K59-K61 PolarHBondContact O-N 2.8Å; K61-S63 VanDerWaalsContact C-N 3.35Å; K61-S63 PolarHBondContact O-N 3.5Å
62	K	34.5	Very low	36.9	Very low	172 Å²	172	129.5 Å²	129.5	75%	0.748	67%	0.672	S	S	*	*			trans	-47.2	105.1	171.4	-158	174.7	-171.9	179.5	0	105.3	N60 E64	N60-K62 PolarHBondContact O-N 3.38Å; K62-E64 PolarHBondContact O-N 2.74Å
63	S	33.2	Very low	36.2	Very low	107 Å²	107	132 Å²	132	75%	0.748	68%	0.68	S	S	*	*			trans	-61.6	99.3	171.1	171.3	0	0	0	0	105	K61 K65	K61-S63 VanDerWaalsContact C-N 3.35Å; K61-S63 PolarHBondContact O-N 3.5Å; S63-K65 VanDerWaalsContact C-N 3.27Å; S63-K65 PolarHBondContact O-N 2.84Å
64	E	34.6	Very low	35.7	Very low	183 Å²	183	137 Å²	137	86%	0.855	70%	0.698	S	S	*	*			trans	-58.4	93.8	168.4	-173.7	166.4	-145.9	0	0	107.1	K62	K62-E64 PolarHBondContact O-N 2.74Å
65	K	32.5	Very low	35.6	Very low	187 Å²	187	135.1 Å²	135.1	81%	0.813	69%	0.685	S	S	*	*			trans	-168.9	116.4	151.5	-103	161.1	-167.9	-167.9	0	110.7	S63	S63-K65 VanDerWaalsContact C-N 3.27Å; S63-K65 PolarHBondContact O-N 2.84Å
66	S	30.6	Very low	36	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	68%	0.68	S	S	*	*	S	Bend	trans	81.2	108.8	155.1	72.1	0	0	0	0	119.3
67	H	28.4	Very low	35.4	Very low	179 Å²	179	135 Å²	135	83%	0.829	69%	0.687	S	S	*	*			trans	87.1	135.6	154.6	-64.1	89.6	0	0	0	120.6	H69	H67-H69 PolarHBondContact O-N 3.04Å
68	P	36.3	Very low	35.2	Very low	114 Å²	114	133.8 Å²	133.8	74%	0.74	69%	0.689	S	S	*	*			trans	-87.1	94.7	-164.7	35.7	-31.4	0	0	0	110.3
69	H	32	Very low	34.8	Very low	178 Å²	178	137.6 Å²	137.6	82%	0.824	71%	0.705	S	S	*	*			trans	-125.7	84.5	147.2	-114.7	62	0	0	0	106.5	H67 I71	H67-H69 PolarHBondContact O-N 3.04Å; H69-I71 VanDerWaalsContact C-N 3.28Å; H69-I71 PolarHBondContact O-N 3.34Å
70	A	32.5	Very low	34.8	Very low	80 Å²	80	134.8 Å²	134.8	66%	0.661	69%	0.693	S	S	*	*			trans	-63	96.8	167	0	0	0	0	0	106.9	P72	A70-P72 WeakPolarHBondContact O-CD 3.24Å
71	I	38.7	Very low	34.9	Very low	126 Å²	126	135.1 Å²	135.1	65%	0.646	69%	0.694	S	S	*	*			trans	-66.7	116	164.1	-45.6	176.4	0	0	0	104.7	H69 Q75	H69-I71 VanDerWaalsContact C-N 3.28Å; H69-I71 PolarHBondContact O-N 3.34Å; I71-Q75 HydrophobicContact CG2-CB 4.31Å
72	P	31	Very low	35.2	Very low	74 Å²	74	131 Å²	131	48%	0.481	68%	0.681	S	S	.	*			trans	-62.6	143.1	-169	22.5	-30.6	0	0	0	110.8	A70 D74 Q75	A70-P72 WeakPolarHBondContact O-CD 3.24Å; P72-D74 PolarHBondContact O-N 3.44Å; P72-Q75 WeakPolarHBondContact O-CB 3.43Å; P72-Q75 PolarHBondContact O-N 3.02Å
73	S	39.1	Very low	35.6	Very low	111 Å²	111	126.1 Å²	126.1	78%	0.776	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-60.7	-10	178.4	43.9	0	0	0	0	114.4	Q75	S73-Q75 VanDerWaalsContact C-N 3.29Å
74	D	38	Very low	36	Very low	145 Å²	145	123.2 Å²	123.2	78%	0.775	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-75.2	-13.5	169.6	-88.7	-48.8	0	0	0	113.8	P72 Y76	P72-D74 PolarHBondContact O-N 3.44Å; D74-Y76 PolarHBondContact O-N 2.71Å
75	Q	36.6	Very low	36.2	Very low	127 Å²	127	116.9 Å²	116.9	59%	0.593	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-85.1	19.5	178.9	-158.3	148.4	2.7	0	0	113.9	I71 P72 S73 P77	I71-Q75 HydrophobicContact CG2-CB 4.31Å; P72-Q75 WeakPolarHBondContact O-CB 3.43Å; P72-Q75 PolarHBondContact O-N 3.02Å; S73-Q75 VanDerWaalsContact C-N 3.29Å; Q75-P77 WeakPolarHBondContact O-CD 2.86Å
76	Y	45.1	Very low	36.4	Very low	169 Å²	169	110 Å²	110	66%	0.663	58%	0.58	S	S	*	*			trans	-106.9	57.5	158.3	-64.5	-79.2	0	0	0	111	D74 H78	D74-Y76 PolarHBondContact O-N 2.71Å; Y76-H78 PolarHBondContact O-N 3.02Å
77	P	29.4	Very low	36.8	Very low	83 Å²	83	108.7 Å²	108.7	54%	0.539	56%	0.564	S	S	.	*			trans	-73.4	99.1	174.2	32.5	-32.1	0	0	0	107.5	Q75 K79	Q75-P77 WeakPolarHBondContact O-CD 2.86Å; P77-K79 PolarHBondContact O-N 2.84Å
78	H	35.6	Very low	37.2	Very low	166 Å²	166	103.4 Å²	103.4	77%	0.769	54%	0.544	S	S	*	.	S	Bend	trans	32.8	57.4	150	-76.1	-90	0	0	0	116.6	M1 Y76	M1-H78 HydrophobicContact CE-CB 4.46Å; M1-H78 VanDerWaalsContact CE-O 3.24Å; M1-H78 WeakPolarHBondContact CE-O 3.28Å; Y76-H78 PolarHBondContact O-N 3.02Å
79	K	33.4	Very low	37.1	Very low	143 Å²	143	102.5 Å²	102.5	62%	0.622	53%	0.533	S	S	*	.			trans	-161.8	110.5	173.8	-103.1	147.9	-107.8	-98.5	0	111	M1 P77	M1-K79 HydrophobicContact CE-CG 4.44Å; P77-K79 PolarHBondContact O-N 2.84Å
80	K	38.1	Very low	37.3	Very low	107 Å²	107	99.5 Å²	99.5	47%	0.465	51%	0.514	S	S	.	.			trans	31.9	92.2	158.6	-73	178.3	176.2	179.4	0	116.3	G2 Q4 L82	G2-K80 WeakPolarHBondContact O-CE 3.34Å; Q4-K80 VanDerWaalsContact CD-NZ 3.27Å; K80-L82 PolarHBondContact O-N 3.46Å
81	L	38.3	Very low	37.4	Very low	93 Å²	93	98.7 Å²	98.7	49%	0.487	50%	0.496	S	S	.	.			trans	-51.2	110.6	145.3	-150.9	72.4	0	0	0	106.7	F58 L83	F58-L81 HydrophobicContact CD2-CD2 4.04Å; F58-L81 HydrophobicContact CE2-CD2 3.9Å; L81-L83 HydrophobicContact CB-CB 4.24Å; L81-L83 HydrophobicContact CD2-CB 3.97Å; L81-L83 HydrophobicContact CD2-CD1 3.73Å; L81-L83 HydrophobicContact CD2-CD2 4.22Å; L81-L83 HydrophobicContact CD2-CG 4.18Å; L81-L83 HydrophobicContact CG-CB 4.09Å; L81-L83 HydrophobicContact CG-CD1 4.36Å; L81-L83 PolarHBondContact O-N 3Å
82	L	41.5	Very low	37.4	Very low	105 Å²	105	100.8 Å²	100.8	55%	0.55	50%	0.5	S	S	.	.			trans	-68.2	64	167.1	-153.2	84.8	0	0	0	107.4	K80 L84 M85	K80-L82 PolarHBondContact O-N 3.46Å; L82-L84 PolarHBondContact O-N 3.43Å; L82-M85 HydrophobicContact CD2-SD 3.9Å
83	L	43.6	Very low	37.4	Very low	68 Å²	68	105.5 Å²	105.5	36%	0.356	52%	0.516	S	S	.	.			trans	-85.7	50.8	-177.1	-167.6	75.1	0	0	0	108.7	F58 L81	F58-L83 HydrophobicContact CE1-CD1 3.88Å; F58-L83 HydrophobicContact CE2-CD1 3.93Å; F58-L83 HydrophobicContact CE2-CD2 3.85Å; F58-L83 HydrophobicContact CZ-CD1 3.31Å; F58-L83 HydrophobicContact CZ-CD2 3.74Å; F58-L83 HydrophobicContact CZ-CG 4.16Å; L81-L83 HydrophobicContact CB-CB 4.24Å; L81-L83 HydrophobicContact CD2-CB 3.97Å; L81-L83 HydrophobicContact CD2-CD1 3.73Å; L81-L83 HydrophobicContact CD2-CD2 4.22Å; L81-L83 HydrophobicContact CD2-CG 4.18Å; L81-L83 HydrophobicContact CG-CB 4.09Å; L81-L83 HydrophobicContact CG-CD1 4.36Å; L81-L83 PolarHBondContact O-N 3Å
84	L	40.7	Very low	37.4	Very low	46 Å²	46	111.4 Å²	111.4	24%	0.241	54%	0.536	C	S	.	.			trans	-150.4	61.3	-170.4	-157.5	87.6	0	0	0	110.1	V5 E6 L82	V5-L84 HydrophobicContact CB-CD1 4.35Å; V5-L84 HydrophobicContact CB-CD2 4.28Å; V5-L84 HydrophobicContact CG1-CD1 3.74Å; V5-L84 HydrophobicContact CG1-CD2 3.97Å; V5-L84 HydrophobicContact CG1-CG 4.48Å; V5-L84 HydrophobicContact CG2-CD1 4.24Å; E6-L84 HydrophobicContact CB-CD2 4.36Å; E6-L84 WeakPolarHBondContact O-CD2 3.47Å; L82-L84 PolarHBondContact O-N 3.43Å
85	M	38.9	Very low	37.4	Very low	51 Å²	51	109.7 Å²	109.7	25%	0.251	52%	0.524	S	S	.	.	S	Bend	trans	-136.1	-17.9	174.8	-108.7	144.6	72.3	0	0	116.4	I8 M30 L82	I8-M85 HydrophobicContact CD1-CG 3.51Å; M30-M85 HydrophobicContact CE-CE 3.79Å; M30-M85 HydrophobicContact SD-CE 4.38Å; L82-M85 HydrophobicContact CD2-SD 3.9Å
86	F	35.8	Very low	37.4	Very low	42 Å²	42	108.8 Å²	108.8	18%	0.184	52%	0.52	C	S	.	.	S	Bend	trans	-150.6	32.3	172.3	-65.2	-78.5	0	0	0	114.1	H26 R41 V88 L89	H26-F86 HydrophobicContact CB-CB 3.6Å; H26-F86 HydrophobicContact CB-CD2 4.4Å; H26-F86 HydrophobicContact CB-CG 4.07Å; H26-F86 CarbonylContact O-C 3.42Å; H26-F86 WeakPolarHBondContact O-CB 2.95Å; R41-F86 VanDerWaalsContact NH1-CZ 3.34Å; R41-F86 VanDerWaalsContact NH2-CD1 3.27Å; F86-V88 PolarHBondContact O-N 3.28Å; F86-L89 HydrophobicContact CD1-CB 4.04Å; F86-L89 HydrophobicContact CD1-CD2 4.03Å; F86-L89 HydrophobicContact CE1-CD2 4.16Å
87	L	39.5	Very low	37	Very low	75 Å²	75	105.4 Å²	105.4	39%	0.393	51%	0.512	S	S	.	.	S	Bend	trans	-71.7	-22.4	171.2	-147.7	100.9	0	0	0	112.3	V25 F49	V25-L87 HydrophobicContact CB-CD1 4.2Å; V25-L87 HydrophobicContact CG1-CB 4.44Å; V25-L87 HydrophobicContact CG1-CD1 3.55Å; V25-L87 HydrophobicContact CG1-CG 3.79Å; V25-L87 HydrophobicContact CG2-CD1 4.33Å; F49-L87 HydrophobicContact CE1-CD1 4.29Å; F49-L87 HydrophobicContact CZ-CD1 4.15Å
88	V	36.3	Very low	37.5	Very low	69 Å²	69	106.8 Å²	106.8	42%	0.418	51%	0.511	S	S	.	.	S	Bend	trans	-96.9	-19.5	-174.2	-176.5	0	0	0	0	112.7	S9 G11 F86	S9-V88 WeakPolarHBondContact O-CG1 3.1Å; G11-V88 VanDerWaalsContact CA-CG1 3.41Å; F86-V88 PolarHBondContact O-N 3.28Å
89	L	36	Very low	37.6	Very low	95 Å²	95	103.1 Å²	103.1	50%	0.497	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.8	-171	-136.6	82.4	0	0	0	114.8	F86	F86-L89 HydrophobicContact CD1-CB 4.04Å; F86-L89 HydrophobicContact CD1-CD2 4.03Å; F86-L89 HydrophobicContact CE1-CD2 4.16Å
90	W	35.5	Very low	37.8	Very low	115 Å²	115	100.4 Å²	100.4	44%	0.436	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	29	-179	-133.9	48.1	0	0	0	113.1	V24 P46	V24-W90 HydrophobicContact CB-CE3 3.36Å; V24-W90 HydrophobicContact CB-CH2 4.46Å; V24-W90 HydrophobicContact CB-CZ3 3.22Å; V24-W90 HydrophobicContact CG1-CE3 3.33Å; V24-W90 HydrophobicContact CG1-CH2 3.87Å; V24-W90 HydrophobicContact CG1-CZ3 2.94Å; V24-W90 HydrophobicContact CG2-CE3 4.49Å; V24-W90 HydrophobicContact CG2-CZ3 4Å; P46-W90 HydrophobicContact CB-CH2 3.84Å; P46-W90 HydrophobicContact CB-CZ2 4.32Å; P46-W90 HydrophobicContact CB-CZ3 4.09Å; P46-W90 HydrophobicContact CG-CH2 3.73Å; P46-W90 HydrophobicContact CG-CZ2 4.34Å; P46-W90 HydrophobicContact CG-CZ3 4.32Å
91	F	34.4	Very low	37.8	Very low	63 Å²	63	99.9 Å²	99.9	28%	0.276	49%	0.488	S	S	.	.	S	Bend	trans	-90.7	-2.5	161.1	-94.8	-84.6	0	0	0	112.9	T15 P17 H93	T15-F91 HydrophobicContact CG2-CD1 3.78Å; T15-F91 HydrophobicContact CG2-CE1 3.99Å; P17-F91 HydrophobicContact CB-CE1 4.23Å; P17-F91 HydrophobicContact CB-CZ 3.61Å; P17-F91 HydrophobicContact CG-CE2 4.21Å; P17-F91 HydrophobicContact CG-CZ 3.75Å; F91-H93 PolarHBondContact O-N 2.71Å
92	K	38.1	Very low	37.8	Very low	169 Å²	169	100.5 Å²	100.5	74%	0.735	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	11	-168.9	-152.8	169.5	179.9	176.9	0	115.4
93	H	32.6	Very low	37.5	Very low	174 Å²	174	100.1 Å²	100.1	81%	0.806	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.7	27.7	-175.3	-118.5	53.8	0	0	0	116.9	F91	F91-H93 PolarHBondContact O-N 2.71Å
94	I	38.5	Very low	36.9	Very low	234 Å²	234	103 Å²	103	100%	1.2	49%	0.494	S	S	*	.			trans	-132	0	162.6	-63.4	-179.9	0	0	0	108.6

Retrieved 94 of 94 residues in 152.5 ms (Link to these results)

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