A0A087X021_HUMAN Loading...

Uroporphyrinogen III synthase

AlphaFold DB , UniProt , Accession A0A087X021, Species HUMAN (Homo sapiens, Human), Gene UROS, Length 122 aa.

						>A0A087X021_HUMAN|A0A087X021|UROS
FPCGNLKREILPKALKDKGIAMESITVYQTVAHPGIQGNLNSYYSQQGVPASITFFSPSGLTYSLKHIQELSGDNIDQIKLLDGGELLKKFMQGRNKGSHRNLRAKVKCNWPPRPRGASSEN
					

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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	F	86.2	Confident	78.4	Confident	74 Å²	74	92 Å²	92	33%	0.325	45%	0.445	S	S	.	.				0	98.9	0	176.8	-122.7	0	0	0	109.4	C3 E9 L11 P12 M22 E23 S24 I25	F1-C3 HydrophobicContact CD1-CB 3.76Å; F1-C3 HydrophobicContact CE1-CB 3.45Å; F1-C3 VanDerWaalsContact CE1-CB 3.45Å; F1-C3 HydrophobicContact CZ-CB 4Å; F1-C3 PolarHBondContact O-N 3.22Å; F1-E9 HydrophobicContact CE1-CB 4.46Å; F1-E9 HydrophobicContact CE1-CG 4.42Å; F1-L11 HydrophobicContact CD2-CD2 4.33Å; F1-L11 HydrophobicContact CE2-CD2 3.88Å; F1-L11 HydrophobicContact CZ-CD2 4.04Å; F1-P12 HydrophobicContact CD1-CG 3.74Å; F1-P12 HydrophobicContact CE1-CG 3.92Å; F1-M22 HydrophobicContact CB-CE 3.65Å; F1-M22 HydrophobicContact CB-CG 4.25Å; F1-M22 HydrophobicContact CB-SD 3.83Å; F1-M22 HydrophobicContact CD1-CE 3.86Å; F1-M22 HydrophobicContact CG-CE 3.85Å; F1-M22 HydrophobicContact CG-SD 4.34Å; F1-E23 WeakPolarHBondContact CB-O 3.48Å; F1-E23 PolarHBondContact N-O 3.45Å; F1-S24 CarbonylContact O-C 3.51Å; F1-S24 VanDerWaalsContact O-CA 3.29Å; F1-S24 WeakPolarHBondContact O-CA 3.12Å; F1-I25 PolarHBondContact O-N 3.31Å
2	P	88.3	Confident	78.9	Confident	92 Å²	92	85.8 Å²	85.8	60%	0.597	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	126.6	171.1	27.8	-31.6	0	0	0	109.5	I25 V27	P2-I25 CarbonylContact C-O 3.51Å; P2-I25 VanDerWaalsContact CA-O 3.31Å; P2-I25 WeakPolarHBondContact CA-O 3.11Å; P2-V27 HydrophobicContact CB-CG1 4.16Å; P2-V27 HydrophobicContact CB-CG2 3.67Å
3	C	86.9	Confident	79.4	Confident	8 Å²	8	90.4 Å²	90.4	5%	0.054	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	172.4	-176.1	66.8	0	0	0	0	113.4	F1 E9 I25 T26 V27	F1-C3 HydrophobicContact CD1-CB 3.76Å; F1-C3 HydrophobicContact CE1-CB 3.45Å; F1-C3 VanDerWaalsContact CE1-CB 3.45Å; F1-C3 HydrophobicContact CZ-CB 4Å; F1-C3 PolarHBondContact O-N 3.22Å; C3-E9 HydrophobicContact CB-CG 4.19Å; C3-I25 PolarHBondContact N-O 3.07Å; C3-T26 CarbonylContact O-C 3.6Å; C3-T26 WeakPolarHBondContact O-CA 3.35Å; C3-V27 PolarHBondContact O-N 2.87Å
4	G	85.2	Confident	80.2	Confident	5 Å²	5	87.4 Å²	87.4	5%	0.052	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	170	172.7	0	0	0	0	0	113.3	L6 Y28	G4-L6 PolarHBondContact O-N 3.12Å; G4-Y28 CarbonylContact C-O 3.56Å; G4-Y28 VanDerWaalsContact CA-O 3.3Å; G4-Y28 WeakPolarHBondContact CA-O 3.46Å; G4-Y28 VanDerWaalsContact N-CZ 3.35Å; G4-Y28 PolarHBondContact N-OH 3.34Å
5	N	78.9	Confident	80.8	Confident	67 Å²	67	84.4 Å²	84.4	36%	0.358	42%	0.417	S	S	.	.	S	Bend	trans	-73.1	-5.1	176.6	76.5	-18.7	0	0	0	114.8	K7 T26 Y28 Q29 T30	N5-K7 PolarHBondContact O-N 3.31Å; N5-T26 HydrophobicContact CB-CG2 4.06Å; N5-Y28 PolarHBondContact N-O 3.02Å; N5-Y28 VanDerWaalsContact N-O 3.08Å; N5-Q29 HydrophobicContact CB-CB 3.95Å; N5-Q29 WeakPolarHBondContact ND2-CB 3.44Å; N5-T30 PolarHBondContact OD1-N 3.28Å
6	L	65.6	Low	81.3	Confident	84 Å²	84	87.3 Å²	87.3	44%	0.44	43%	0.427	S	S	.	.			trans	-71.5	120.5	-177.3	-79.2	165.9	0	0	0	109.8	G4 R8 E9	G4-L6 PolarHBondContact O-N 3.12Å; L6-R8 PolarHBondContact O-N 3Å; L6-E9 PolarHBondContact O-N 3.15Å
7	K	62.4	Low	81.9	Confident	219 Å²	219	89.2 Å²	89.2	95%	0.952	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	11.1	173.1	-64.4	-175.6	177.5	-178	0	114.7	N5	N5-K7 PolarHBondContact O-N 3.31Å
8	R	62.7	Low	82.6	Confident	173 Å²	173	93.7 Å²	93.7	65%	0.653	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	0.8	-177.3	-72.1	-176.7	178	160.2	0	113.3	L6 I10	L6-R8 PolarHBondContact O-N 3Å; R8-I10 PolarHBondContact O-N 3.22Å
9	E	75.4	Confident	83.2	Confident	73 Å²	73	92.5 Å²	92.5	34%	0.341	47%	0.471	S	S	.	.			trans	-63.2	104.6	173.1	-63.2	-59.1	158.1	0	0	109.8	F1 C3 L6 P12	F1-E9 HydrophobicContact CE1-CB 4.46Å; F1-E9 HydrophobicContact CE1-CG 4.42Å; C3-E9 HydrophobicContact CB-CG 4.19Å; L6-E9 PolarHBondContact O-N 3.15Å; E9-P12 HydrophobicContact CB-CG 4.37Å
10	I	85.3	Confident	83.7	Confident	137 Å²	137	92.4 Å²	92.4	70%	0.703	47%	0.47	S	S	*	.			trans	-83.8	-22.3	-179.4	52.6	165.8	0	0	0	112.2	R8 K13 A14	R8-I10 PolarHBondContact O-N 3.22Å; I10-K13 PolarHBondContact O-N 2.92Å; I10-A14 WeakPolarHBondContact O-CB 3.5Å; I10-A14 PolarHBondContact O-N 2.97Å
11	L	85.3	Confident	83.9	Confident	80 Å²	80	92.9 Å²	92.9	42%	0.419	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-46.3	-173.6	-177.4	67.6	0	0	0	112.6	F1 K13 A14 L15	F1-L11 HydrophobicContact CD2-CD2 4.33Å; F1-L11 HydrophobicContact CE2-CD2 3.88Å; F1-L11 HydrophobicContact CZ-CD2 4.04Å; L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 3.14Å; L11-A14 PolarHBondContact O-N 3.4Å; L11-L15 HydrophobicContact CD1-CD1 3.82Å; L11-L15 HydrophobicContact CD1-CG 4.07Å; L11-L15 HydrophobicContact CG-CD1 3.87Å; L11-L15 HydrophobicContact CG-CG 4.46Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 3.42Å
12	P	84.8	Confident	83.9	Confident	18 Å²	18	91.3 Å²	91.3	12%	0.117	48%	0.482	C	S	.	.	H	α-helix	trans	-62.7	-35.2	177.8	-19.4	31.3	0	0	0	113.8	F1 E9 K16 M22 S24	F1-P12 HydrophobicContact CD1-CG 3.74Å; F1-P12 HydrophobicContact CE1-CG 3.92Å; E9-P12 HydrophobicContact CB-CG 4.37Å; P12-K16 WeakPolarHBondContact O-CB 3.42Å; P12-K16 VanDerWaalsContact O-CG 3.28Å; P12-K16 WeakPolarHBondContact O-CG 3.48Å; P12-K16 PolarHBondContact O-N 3.38Å; P12-M22 HydrophobicContact CB-CE 3.42Å; P12-M22 VanDerWaalsContact CB-CE 3.42Å; P12-M22 HydrophobicContact CG-CE 3.47Å; P12-M22 VanDerWaalsContact CG-CE 3.47Å; P12-S24 WeakPolarHBondContact CB-OG 3.13Å; P12-S24 VanDerWaalsContact CG-OG 3.27Å; P12-S24 WeakPolarHBondContact CG-OG 3.27Å
13	K	85.5	Confident	83.8	Confident	145 Å²	145	94.1 Å²	94.1	63%	0.63	49%	0.487	S	S	*	.	H	α-helix	trans	-70	-51.1	176.4	-173.2	-179.6	176.3	-176.3	0	110.8	I10 L11 L15 K16 D17	I10-K13 PolarHBondContact O-N 2.92Å; L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 3.14Å; K13-L15 PolarHBondContact O-N 3.08Å; K13-K16 PolarHBondContact O-N 3.44Å; K13-K16 VanDerWaalsContact O-N 3.15Å; K13-D17 PolarHBondContact O-N 2.92Å
14	A	89.8	Confident	83.8	Confident	48 Å²	48	96.1 Å²	96.1	40%	0.397	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-33.4	-177.9	0	0	0	0	0	113.2	I10 L11	I10-A14 WeakPolarHBondContact O-CB 3.5Å; I10-A14 PolarHBondContact O-N 2.97Å; L11-A14 PolarHBondContact O-N 3.4Å
15	L	90	Very high	84	Confident	43 Å²	43	100.5 Å²	100.5	23%	0.225	52%	0.523	C	S	.	.	H	α-helix	trans	-76.3	-41.6	176.6	-68.7	173.6	0	0	0	112.1	L11 K13 D17 K18 G19 I20 M22	L11-L15 HydrophobicContact CD1-CD1 3.82Å; L11-L15 HydrophobicContact CD1-CG 4.07Å; L11-L15 HydrophobicContact CG-CD1 3.87Å; L11-L15 HydrophobicContact CG-CG 4.46Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 3.42Å; K13-L15 PolarHBondContact O-N 3.08Å; L15-D17 VanDerWaalsContact C-N 3.31Å; L15-D17 PolarHBondContact O-N 3.15Å; L15-K18 CarbonylContact O-C 3.56Å; L15-K18 PolarHBondContact O-N 3.4Å; L15-K18 VanDerWaalsContact O-N 3.08Å; L15-G19 PolarHBondContact O-N 3.47Å; L15-I20 CarbonylContact C-O 3.57Å; L15-I20 HydrophobicContact CB-CB 4.24Å; L15-I20 HydrophobicContact CD2-CD1 3.98Å; L15-I20 WeakPolarHBondContact O-CB 3.33Å; L15-I20 PolarHBondContact O-N 2.76Å; L15-M22 HydrophobicContact CD1-CE 4.13Å; L15-M22 HydrophobicContact CD1-SD 3.46Å; L15-M22 WeakPolarHBondContact CD1-SD 3.28Å
16	K	88.4	Confident	84.5	Confident	130 Å²	130	101.7 Å²	101.7	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-60.7	-40.5	173.5	-77.8	179.5	179.5	-173.8	0	112.2	P12 K13 K18 G19 M22	P12-K16 WeakPolarHBondContact O-CB 3.42Å; P12-K16 VanDerWaalsContact O-CG 3.28Å; P12-K16 WeakPolarHBondContact O-CG 3.48Å; P12-K16 PolarHBondContact O-N 3.38Å; K13-K16 PolarHBondContact O-N 3.44Å; K13-K16 VanDerWaalsContact O-N 3.15Å; K16-K18 PolarHBondContact O-N 2.95Å; K16-K18 VanDerWaalsContact O-N 3.14Å; K16-G19 PolarHBondContact O-N 3.45Å; K16-M22 WeakPolarHBondContact CE-O 3.45Å
17	D	91.6	Very high	85.8	Confident	121 Å²	121	102.1 Å²	102.1	65%	0.647	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.7	177.1	-66.1	-14.7	0	0	0	112.2	K13 L15	K13-D17 PolarHBondContact O-N 2.92Å; L15-D17 VanDerWaalsContact C-N 3.31Å; L15-D17 PolarHBondContact O-N 3.15Å
18	K	94.3	Very high	87.1	Confident	170 Å²	170	98.3 Å²	98.3	74%	0.739	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	10.7	174.6	-66.5	-173.7	177.6	-172.6	0	113.8	L15 K16 I20	L15-K18 CarbonylContact O-C 3.56Å; L15-K18 PolarHBondContact O-N 3.4Å; L15-K18 VanDerWaalsContact O-N 3.08Å; K16-K18 PolarHBondContact O-N 2.95Å; K16-K18 VanDerWaalsContact O-N 3.14Å; K18-I20 VanDerWaalsContact C-N 3.28Å; K18-I20 PolarHBondContact O-N 3.35Å
19	G	93.4	Very high	88.2	Confident	71 Å²	71	96.2 Å²	96.2	73%	0.732	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	11.4	-179.7	0	0	0	0	0	114.6	L15 K16	L15-G19 PolarHBondContact O-N 3.47Å; K16-G19 PolarHBondContact O-N 3.45Å
20	I	93.5	Very high	88.7	Confident	90 Å²	90	95.3 Å²	95.3	46%	0.462	52%	0.516	S	S	.	.			trans	-89.9	112.4	178	-59.1	171.6	0	0	0	108.3	L15 K18 M22	L15-I20 CarbonylContact C-O 3.57Å; L15-I20 HydrophobicContact CB-CB 4.24Å; L15-I20 HydrophobicContact CD2-CD1 3.98Å; L15-I20 WeakPolarHBondContact O-CB 3.33Å; L15-I20 PolarHBondContact O-N 2.76Å; K18-I20 VanDerWaalsContact C-N 3.28Å; K18-I20 PolarHBondContact O-N 3.35Å; I20-M22 PolarHBondContact O-N 3.34Å
21	A	88.8	Confident	88.9	Confident	102 Å²	102	93 Å²	93	84%	0.843	51%	0.508	S	S	*	.			trans	-66.4	124.3	176.4	0	0	0	0	0	110.3
22	M	85.7	Confident	89.2	Confident	41 Å²	41	91 Å²	91	20%	0.202	50%	0.504	C	S	.	.			trans	-145.4	130.5	176.5	-167.5	-179.3	80.9	0	0	111.1	F1 P12 L15 K16 I20	F1-M22 HydrophobicContact CB-CE 3.65Å; F1-M22 HydrophobicContact CB-CG 4.25Å; F1-M22 HydrophobicContact CB-SD 3.83Å; F1-M22 HydrophobicContact CD1-CE 3.86Å; F1-M22 HydrophobicContact CG-CE 3.85Å; F1-M22 HydrophobicContact CG-SD 4.34Å; P12-M22 HydrophobicContact CB-CE 3.42Å; P12-M22 VanDerWaalsContact CB-CE 3.42Å; P12-M22 HydrophobicContact CG-CE 3.47Å; P12-M22 VanDerWaalsContact CG-CE 3.47Å; L15-M22 HydrophobicContact CD1-CE 4.13Å; L15-M22 HydrophobicContact CD1-SD 3.46Å; L15-M22 WeakPolarHBondContact CD1-SD 3.28Å; K16-M22 WeakPolarHBondContact CE-O 3.45Å; I20-M22 PolarHBondContact O-N 3.34Å
23	E	85.5	Confident	89.6	Confident	151 Å²	151	95.8 Å²	95.8	71%	0.706	52%	0.524	S	S	*	.			trans	-96.8	140.5	173	-168.7	177.5	-175.4	0	0	110.5	F1	F1-E23 WeakPolarHBondContact CB-O 3.48Å; F1-E23 PolarHBondContact N-O 3.45Å
24	S	86.8	Confident	90	Very high	50 Å²	50	95 Å²	95	35%	0.35	53%	0.534	S	S	.	.			trans	-115.9	134	178.1	-56.1	0	0	0	0	110.1	F1 P12	F1-S24 CarbonylContact O-C 3.51Å; F1-S24 VanDerWaalsContact O-CA 3.29Å; F1-S24 WeakPolarHBondContact O-CA 3.12Å; P12-S24 WeakPolarHBondContact CB-OG 3.13Å; P12-S24 VanDerWaalsContact CG-OG 3.27Å; P12-S24 WeakPolarHBondContact CG-OG 3.27Å
25	I	90.1	Very high	90.3	Very high	98 Å²	98	93.8 Å²	93.8	50%	0.503	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.3	-179.7	-56.7	174.6	0	0	0	107.1	F1 P2 C3 V27	F1-I25 PolarHBondContact O-N 3.31Å; P2-I25 CarbonylContact C-O 3.51Å; P2-I25 VanDerWaalsContact CA-O 3.31Å; P2-I25 WeakPolarHBondContact CA-O 3.11Å; C3-I25 PolarHBondContact N-O 3.07Å; I25-V27 HydrophobicContact CG2-CG1 4.07Å; I25-V27 PolarHBondContact O-N 2.96Å
26	T	89.4	Confident	90.5	Very high	91 Å²	91	94.1 Å²	94.1	56%	0.558	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.4	177.5	-55.1	0	0	0	0	109.4	C3 N5	C3-T26 CarbonylContact O-C 3.6Å; C3-T26 WeakPolarHBondContact O-CA 3.35Å; N5-T26 HydrophobicContact CB-CG2 4.06Å
27	V	93.7	Very high	90.8	Very high	93 Å²	93	92.4 Å²	92.4	56%	0.564	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	-13.3	-175.2	-68.3	0	0	0	0	113.4	P2 C3 I25	P2-V27 HydrophobicContact CB-CG1 4.16Å; P2-V27 HydrophobicContact CB-CG2 3.67Å; C3-V27 PolarHBondContact O-N 2.87Å; I25-V27 HydrophobicContact CG2-CG1 4.07Å; I25-V27 PolarHBondContact O-N 2.96Å
28	Y	88.8	Confident	91.1	Very high	139 Å²	139	88.7 Å²	88.7	55%	0.545	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	163.8	172.4	61.9	-94.6	0	0	0	111.1	G4 N5	G4-Y28 CarbonylContact C-O 3.56Å; G4-Y28 VanDerWaalsContact CA-O 3.3Å; G4-Y28 WeakPolarHBondContact CA-O 3.46Å; G4-Y28 VanDerWaalsContact N-CZ 3.35Å; G4-Y28 PolarHBondContact N-OH 3.34Å; N5-Y28 PolarHBondContact N-O 3.02Å; N5-Y28 VanDerWaalsContact N-O 3.08Å
29	Q	87.1	Confident	91.2	Very high	130 Å²	130	85.5 Å²	85.5	61%	0.607	50%	0.503	S	S	*	.			trans	-133.6	140.1	179.9	52.3	173.1	15.5	0	0	112	N5 V31	N5-Q29 HydrophobicContact CB-CB 3.95Å; N5-Q29 WeakPolarHBondContact ND2-CB 3.44Å; Q29-V31 HydrophobicContact CB-CG1 4.39Å; Q29-V31 HydrophobicContact CG-CG1 3.77Å; Q29-V31 PolarHBondContact O-N 3.32Å
30	T	85.4	Confident	91.3	Very high	53 Å²	53	83.6 Å²	83.6	33%	0.325	48%	0.476	S	S	.	.			trans	-74.8	120	165.9	-57.1	0	0	0	0	108.6	N5	N5-T30 PolarHBondContact OD1-N 3.28Å
31	V	89.7	Confident	91.5	Very high	88 Å²	88	82.3 Å²	82.3	53%	0.533	47%	0.47	S	S	.	.			trans	-126.7	157.4	177	-64.1	0	0	0	0	110.1	Q29	Q29-V31 HydrophobicContact CB-CG1 4.39Å; Q29-V31 HydrophobicContact CG-CG1 3.77Å; Q29-V31 PolarHBondContact O-N 3.32Å
32	A	91.5	Very high	91.9	Very high	40 Å²	40	80.2 Å²	80.2	33%	0.331	45%	0.449	S	S	.	.			trans	-62.6	144.4	170.5	0	0	0	0	0	110	Y63	A32-Y63 HydrophobicContact CB-CD1 3.77Å; A32-Y63 HydrophobicContact CB-CD2 3.87Å; A32-Y63 HydrophobicContact CB-CE1 4.22Å; A32-Y63 HydrophobicContact CB-CE2 4.31Å; A32-Y63 HydrophobicContact CB-CG 3.58Å
33	H	93.7	Very high	92.5	Very high	117 Å²	117	83.4 Å²	83.4	54%	0.542	46%	0.46	S	S	.	.			trans	-64	124.6	173.9	-173.7	-79.4	0	0	0	109.2	G35 I36	H33-G35 PolarHBondContact ND1-N 3.03Å; H33-G35 VanDerWaalsContact ND1-N 3.12Å; H33-G35 PolarHBondContact O-N 3.22Å; H33-G35 VanDerWaalsContact O-N 3.17Å; H33-I36 WeakPolarHBondContact O-CB 3.4Å; H33-I36 VanDerWaalsContact O-CG2 3.32Å; H33-I36 WeakPolarHBondContact O-CG2 3.47Å; H33-I36 PolarHBondContact O-N 3.17Å
34	P	93.9	Very high	93	Very high	128 Å²	128	77.2 Å²	77.2	83%	0.831	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.7	-171.1	24	-34	0	0	0	112.7	I36	P34-I36 VanDerWaalsContact C-N 3.34Å; P34-I36 PolarHBondContact O-N 3.04Å
35	G	95.3	Very high	93.4	Very high	24 Å²	24	80 Å²	80	25%	0.247	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4.5	177.1	0	0	0	0	0	115.7	H33 Q37 G38 N39	H33-G35 PolarHBondContact ND1-N 3.03Å; H33-G35 VanDerWaalsContact ND1-N 3.12Å; H33-G35 PolarHBondContact O-N 3.22Å; H33-G35 VanDerWaalsContact O-N 3.17Å; G35-Q37 VanDerWaalsContact C-N 3.29Å; G35-Q37 PolarHBondContact O-N 3.35Å; G35-G38 PolarHBondContact O-N 2.93Å; G35-N39 WeakPolarHBondContact O-CB 3.27Å; G35-N39 PolarHBondContact O-N 2.95Å; G35-N39 PolarHBondContact O-ND2 3.38Å; G35-N39 PolarHBondContact O-OD1 2.77Å
36	I	94.8	Very high	93.7	Very high	49 Å²	49	81.9 Å²	81.9	25%	0.251	46%	0.456	S	S	.	.	H	α-helix	trans	-56.5	-42.6	-171.9	-167.4	72.7	0	0	0	112.4	H33 P34 L40	H33-I36 WeakPolarHBondContact O-CB 3.4Å; H33-I36 VanDerWaalsContact O-CG2 3.32Å; H33-I36 WeakPolarHBondContact O-CG2 3.47Å; H33-I36 PolarHBondContact O-N 3.17Å; P34-I36 VanDerWaalsContact C-N 3.34Å; P34-I36 PolarHBondContact O-N 3.04Å; I36-L40 HydrophobicContact CG1-CD1 4.29Å; I36-L40 WeakPolarHBondContact O-CB 3.47Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.48Å; I36-L40 PolarHBondContact O-N 3.38Å; I36-L40 VanDerWaalsContact O-N 3.12Å
37	Q	94.5	Very high	94.1	Very high	95 Å²	95	83.7 Å²	83.7	44%	0.444	46%	0.458	S	S	.	.	H	α-helix	trans	-68.7	-48.8	179.6	-175.3	178.6	-1	0	0	111.6	G35 N39 L40 N41	G35-Q37 VanDerWaalsContact C-N 3.29Å; G35-Q37 PolarHBondContact O-N 3.35Å; Q37-N39 VanDerWaalsContact C-N 3.31Å; Q37-N39 PolarHBondContact O-N 3.23Å; Q37-L40 PolarHBondContact O-N 2.85Å; Q37-N41 WeakPolarHBondContact O-CB 3.28Å; Q37-N41 PolarHBondContact O-N 3.18Å; Q37-N41 PolarHBondContact O-OD1 2.95Å
38	G	96.8	Very high	94	Very high	42 Å²	42	80.8 Å²	80.8	43%	0.433	45%	0.447	S	S	.	.	H	α-helix	trans	-61.1	-40.1	179.2	0	0	0	0	0	112.6	G35 N41 S42	G35-G38 PolarHBondContact O-N 2.93Å; G38-N41 PolarHBondContact O-N 3.09Å; G38-S42 WeakPolarHBondContact O-CB 3Å; G38-S42 PolarHBondContact O-N 3.41Å
39	N	96.8	Very high	94.3	Very high	104 Å²	104	76.9 Å²	76.9	56%	0.556	44%	0.438	S	S	*	.	H	α-helix	trans	-66.2	-42.5	178.3	-67.6	-6.1	0	0	0	111.8	G35 Q37 S42 Y43	G35-N39 WeakPolarHBondContact O-CB 3.27Å; G35-N39 PolarHBondContact O-N 2.95Å; G35-N39 PolarHBondContact O-ND2 3.38Å; G35-N39 PolarHBondContact O-OD1 2.77Å; Q37-N39 VanDerWaalsContact C-N 3.31Å; Q37-N39 PolarHBondContact O-N 3.23Å; N39-S42 PolarHBondContact O-N 3.43Å; N39-Y43 WeakPolarHBondContact O-CB 3.49Å; N39-Y43 PolarHBondContact O-N 3.45Å
40	L	96.1	Very high	94.6	Very high	31 Å²	31	71.3 Å²	71.3	16%	0.162	41%	0.412	C	S	.	.	H	α-helix	trans	-65.8	-45	175.2	-73	170.8	0	0	0	111.3	I36 Q37 S42 Y43 Y44 H67 I68 L71	I36-L40 HydrophobicContact CG1-CD1 4.29Å; I36-L40 WeakPolarHBondContact O-CB 3.47Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.48Å; I36-L40 PolarHBondContact O-N 3.38Å; I36-L40 VanDerWaalsContact O-N 3.12Å; Q37-L40 PolarHBondContact O-N 2.85Å; L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 3.48Å; L40-Y43 PolarHBondContact O-N 3.44Å; L40-Y44 VanDerWaalsContact O-CD2 3.26Å; L40-Y44 WeakPolarHBondContact O-CD2 3.09Å; L40-Y44 PolarHBondContact O-N 2.76Å; L40-H67 HydrophobicContact CD1-CB 3.63Å; L40-I68 HydrophobicContact CD1-CG1 4.17Å; L40-I68 HydrophobicContact CD2-CG1 4.37Å; L40-L71 HydrophobicContact CB-CD1 3.65Å
41	N	97	Very high	95	Very high	62 Å²	62	72.8 Å²	72.8	33%	0.332	43%	0.43	S	S	.	.	H	α-helix	trans	-56.8	-47.4	176	-69.5	-3	0	0	0	111.1	Q37 G38 Y43 Y44 S45 L71	Q37-N41 WeakPolarHBondContact O-CB 3.28Å; Q37-N41 PolarHBondContact O-N 3.18Å; Q37-N41 PolarHBondContact O-OD1 2.95Å; G38-N41 PolarHBondContact O-N 3.09Å; N41-Y43 VanDerWaalsContact C-N 3.34Å; N41-Y43 PolarHBondContact O-N 3.27Å; N41-Y44 PolarHBondContact O-N 3.3Å; N41-S45 WeakPolarHBondContact O-CB 3.37Å; N41-S45 PolarHBondContact O-N 2.69Å; N41-S45 PolarHBondContact O-OG 3.2Å; N41-S45 VanDerWaalsContact O-OG 3.07Å; N41-L71 WeakPolarHBondContact OD1-CD1 3.12Å; N41-L71 WeakPolarHBondContact OD1-CD2 3.37Å
42	S	97.7	Very high	95.1	Very high	58 Å²	58	71.4 Å²	71.4	41%	0.406	42%	0.424	S	S	.	.	H	α-helix	trans	-60	-44.1	178.5	-171.3	0	0	0	0	111.8	G38 N39 L40 Q46	G38-S42 WeakPolarHBondContact O-CB 3Å; G38-S42 PolarHBondContact O-N 3.41Å; N39-S42 PolarHBondContact O-N 3.43Å; L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 3.48Å; S42-Q46 WeakPolarHBondContact O-CB 3.06Å; S42-Q46 VanDerWaalsContact O-CG 3.29Å; S42-Q46 WeakPolarHBondContact O-CG 3.16Å; S42-Q46 PolarHBondContact O-N 3.26Å; S42-Q46 VanDerWaalsContact O-N 3.16Å; S42-Q46 PolarHBondContact OG-NE2 2.79Å
43	Y	97.3	Very high	95.1	Very high	109 Å²	109	70.7 Å²	70.7	43%	0.427	42%	0.415	S	S	.	.	H	α-helix	trans	-60.8	-50.9	175.9	179.2	-89.6	0	0	0	112	N39 L40 N41 S45 Q46 Q47 P50	N39-Y43 WeakPolarHBondContact O-CB 3.49Å; N39-Y43 PolarHBondContact O-N 3.45Å; L40-Y43 PolarHBondContact O-N 3.44Å; N41-Y43 VanDerWaalsContact C-N 3.34Å; N41-Y43 PolarHBondContact O-N 3.27Å; Y43-S45 VanDerWaalsContact C-N 3.33Å; Y43-S45 PolarHBondContact O-N 3.43Å; Y43-Q46 PolarHBondContact O-N 3.26Å; Y43-Q47 HydrophobicContact CD2-CB 4.4Å; Y43-Q47 HydrophobicContact CD2-CG 4.03Å; Y43-Q47 HydrophobicContact CE1-CB 4.18Å; Y43-Q47 HydrophobicContact CE2-CB 4.07Å; Y43-Q47 HydrophobicContact CE2-CG 3.87Å; Y43-Q47 WeakPolarHBondContact O-CB 3.39Å; Y43-Q47 PolarHBondContact O-N 3.03Å; Y43-P50 HydrophobicContact CE1-CB 3.93Å; Y43-P50 HydrophobicContact CE1-CG 4.12Å
44	Y	95.9	Very high	95	Very high	21 Å²	21	68 Å²	68	8%	0.082	41%	0.407	C	S	.	.	H	α-helix	trans	-64.4	-37	-178.3	-85.3	-110	0	0	0	112.1	L40 N41 Q46 G48 V49 L71 S72	L40-Y44 VanDerWaalsContact O-CD2 3.26Å; L40-Y44 WeakPolarHBondContact O-CD2 3.09Å; L40-Y44 PolarHBondContact O-N 2.76Å; N41-Y44 PolarHBondContact O-N 3.3Å; Y44-Q46 VanDerWaalsContact C-N 3.32Å; Y44-Q46 PolarHBondContact O-N 2.89Å; Y44-G48 WeakPolarHBondContact O-CA 3.3Å; Y44-G48 PolarHBondContact O-N 2.72Å; Y44-V49 HydrophobicContact CD1-CG2 4.42Å; Y44-V49 HydrophobicContact CE1-CG2 4.26Å; Y44-L71 HydrophobicContact CD1-CB 3.66Å; Y44-L71 HydrophobicContact CD2-CB 4.15Å; Y44-L71 HydrophobicContact CD2-CD1 3.77Å; Y44-L71 HydrophobicContact CE1-CB 3.7Å; Y44-L71 HydrophobicContact CE2-CB 4.2Å; Y44-L71 HydrophobicContact CE2-CD1 4.1Å; Y44-L71 HydrophobicContact CG-CB 3.89Å; Y44-L71 HydrophobicContact CG-CD1 4.08Å; Y44-L71 HydrophobicContact CG-CG 4.42Å; Y44-S72 PolarHBondContact OH-OG 3.35Å
45	S	96.1	Very high	94.8	Very high	109 Å²	109	62.5 Å²	62.5	76%	0.762	37%	0.37	S	S	*	.	H	α-helix	trans	-66.5	-33	176.3	-65.3	0	0	0	0	113.1	N41 Y43	N41-S45 WeakPolarHBondContact O-CB 3.37Å; N41-S45 PolarHBondContact O-N 2.69Å; N41-S45 PolarHBondContact O-OG 3.2Å; N41-S45 VanDerWaalsContact O-OG 3.07Å; Y43-S45 VanDerWaalsContact C-N 3.33Å; Y43-S45 PolarHBondContact O-N 3.43Å
46	Q	97.3	Very high	94.6	Very high	136 Å²	136	69.8 Å²	69.8	64%	0.636	40%	0.395	S	S	*	.	H	α-helix	trans	-90.7	-37	-177.3	-67.8	176.5	32.9	0	0	113.2	S42 Y43 Y44	S42-Q46 WeakPolarHBondContact O-CB 3.06Å; S42-Q46 VanDerWaalsContact O-CG 3.29Å; S42-Q46 WeakPolarHBondContact O-CG 3.16Å; S42-Q46 PolarHBondContact O-N 3.26Å; S42-Q46 VanDerWaalsContact O-N 3.16Å; S42-Q46 PolarHBondContact OG-NE2 2.79Å; Y43-Q46 PolarHBondContact O-N 3.26Å; Y44-Q46 VanDerWaalsContact C-N 3.32Å; Y44-Q46 PolarHBondContact O-N 2.89Å
47	Q	96.1	Very high	94.3	Very high	130 Å²	130	69.3 Å²	69.3	61%	0.607	40%	0.396	S	S	*	.	H	α-helix	trans	-115.7	-11.9	-168.8	-54.2	-59.6	-39.1	0	0	112.9	Y43	Y43-Q47 HydrophobicContact CD2-CB 4.4Å; Y43-Q47 HydrophobicContact CD2-CG 4.03Å; Y43-Q47 HydrophobicContact CE1-CB 4.18Å; Y43-Q47 HydrophobicContact CE2-CB 4.07Å; Y43-Q47 HydrophobicContact CE2-CG 3.87Å; Y43-Q47 WeakPolarHBondContact O-CB 3.39Å; Y43-Q47 PolarHBondContact O-N 3.03Å
48	G	93.3	Very high	93.9	Very high	32 Å²	32	65.8 Å²	65.8	33%	0.33	38%	0.381	S	S	.	.			trans	73.7	-157.5	-173.3	0	0	0	0	0	113.2	Y44	Y44-G48 WeakPolarHBondContact O-CA 3.3Å; Y44-G48 PolarHBondContact O-N 2.72Å
49	V	94.3	Very high	93.4	Very high	57 Å²	57	66 Å²	66	35%	0.345	38%	0.376	S	S	.	.	S	Bend	trans	-75.9	125.2	-178.8	-177.5	0	0	0	0	109.8	Y44 N75 I79	Y44-V49 HydrophobicContact CD1-CG2 4.42Å; Y44-V49 HydrophobicContact CE1-CG2 4.26Å; V49-N75 HydrophobicContact CG1-CB 4.07Å; V49-N75 HydrophobicContact CG2-CB 4.1Å; V49-I79 HydrophobicContact CG1-CD1 3.67Å; V49-I79 HydrophobicContact CG1-CG1 3.81Å
50	P	94.2	Very high	93.1	Very high	12 Å²	12	62.5 Å²	62.5	8%	0.078	37%	0.365	C	S	.	.			trans	-72.9	145.9	-178.9	28.4	-33.3	0	0	0	112.2	Y43 S52 I53 I79	Y43-P50 HydrophobicContact CE1-CB 3.93Å; Y43-P50 HydrophobicContact CE1-CG 4.12Å; P50-S52 VanDerWaalsContact C-N 3.29Å; P50-S52 PolarHBondContact O-N 3.35Å; P50-I53 HydrophobicContact CB-CG1 4.43Å; P50-I53 HydrophobicContact CG-CD1 3.89Å; P50-I53 HydrophobicContact CG-CG1 3.78Å; P50-I79 HydrophobicContact CG-CD1 4.36Å; P50-I79 WeakPolarHBondContact O-CG1 3.32Å
51	A	92.7	Very high	92.7	Very high	84 Å²	84	61 Å²	61	69%	0.694	36%	0.357	S	S	*	.	S	Bend	trans	-67.4	-29.2	173.2	0	0	0	0	0	113.1	K80	A51-K80 PolarHBondContact O-N 3.26Å
52	S	91.4	Very high	92.3	Very high	59 Å²	59	61 Å²	61	41%	0.413	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	149.3	179.2	66.3	0	0	0	0	112.5	P50 K80	P50-S52 VanDerWaalsContact C-N 3.29Å; P50-S52 PolarHBondContact O-N 3.35Å; S52-K80 CarbonylContact C-O 3.49Å; S52-K80 WeakPolarHBondContact CA-O 3.31Å; S52-K80 VanDerWaalsContact CB-O 3.29Å; S52-K80 WeakPolarHBondContact CB-O 3.29Å
53	I	92.4	Very high	92	Very high	26 Å²	26	62.1 Å²	62.1	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.1	175.9	-63.2	175.1	0	0	0	108.6	P50 F55 I68 I79 K80 L81 L82	P50-I53 HydrophobicContact CB-CG1 4.43Å; P50-I53 HydrophobicContact CG-CD1 3.89Å; P50-I53 HydrophobicContact CG-CG1 3.78Å; I53-F55 HydrophobicContact CG2-CE1 3.99Å; I53-F55 HydrophobicContact CG2-CE2 4.02Å; I53-F55 HydrophobicContact CG2-CZ 3.69Å; I53-I68 HydrophobicContact CD1-CD1 3.88Å; I53-I68 HydrophobicContact CD1-CG1 4.07Å; I53-I68 HydrophobicContact CD1-CG2 3.61Å; I53-I68 HydrophobicContact CG2-CD1 4.22Å; I53-I79 HydrophobicContact CB-CG2 4.3Å; I53-I79 HydrophobicContact CD1-CD1 4.38Å; I53-I79 HydrophobicContact CD1-CG2 3.83Å; I53-I79 HydrophobicContact CG1-CG2 3.71Å; I53-K80 PolarHBondContact N-O 3.45Å; I53-L81 HydrophobicContact CB-CD2 4.14Å; I53-L81 WeakPolarHBondContact O-CA 3.35Å; I53-L82 PolarHBondContact O-N 3.49Å
54	T	91.9	Very high	91.8	Very high	61 Å²	61	57.5 Å²	57.5	37%	0.374	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.3	177.8	-57	0	0	0	0	110.9	F56 L82	T54-F56 HydrophobicContact CG2-CE1 4.29Å; T54-F56 HydrophobicContact CG2-CE2 4.38Å; T54-F56 HydrophobicContact CG2-CZ 4.07Å; T54-L82 WeakPolarHBondContact CA-O 3.29Å; T54-L82 HydrophobicContact CG2-CB 4.3Å
55	F	90.2	Very high	91.5	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.048	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.8	173.1	-58.7	-76.7	0	0	0	110.9	I53 L61 S64 I68 L81 L82 G84 L88	I53-F55 HydrophobicContact CG2-CE1 3.99Å; I53-F55 HydrophobicContact CG2-CE2 4.02Å; I53-F55 HydrophobicContact CG2-CZ 3.69Å; F55-L61 HydrophobicContact CB-CB 4.5Å; F55-L61 HydrophobicContact CD1-CB 3.91Å; F55-L61 HydrophobicContact CD1-CD1 4.03Å; F55-L61 HydrophobicContact CD2-CD1 3.79Å; F55-L61 HydrophobicContact CE1-CB 4.28Å; F55-L61 HydrophobicContact CE1-CD1 3.75Å; F55-L61 HydrophobicContact CE2-CD1 3.47Å; F55-L61 VanDerWaalsContact CE2-CD1 3.47Å; F55-L61 HydrophobicContact CG-CB 4.1Å; F55-L61 HydrophobicContact CG-CD1 4.05Å; F55-L61 HydrophobicContact CZ-CD1 3.45Å; F55-L61 VanDerWaalsContact CZ-CD1 3.45Å; F55-S64 WeakPolarHBondContact CE1-OG 3.14Å; F55-I68 HydrophobicContact CE1-CD1 3.95Å; F55-I68 HydrophobicContact CZ-CD1 3.85Å; F55-L81 HydrophobicContact CE2-CB 4.33Å; F55-L81 HydrophobicContact CE2-CD1 4.46Å; F55-L81 HydrophobicContact CE2-CD2 4Å; F55-L81 HydrophobicContact CE2-CG 4.48Å; F55-L81 HydrophobicContact CZ-CD2 4.49Å; F55-L82 PolarHBondContact N-O 2.99Å; F55-G84 PolarHBondContact O-N 3.4Å; F55-L88 HydrophobicContact CB-CD2 3.56Å; F55-L88 WeakPolarHBondContact O-CD2 3.31Å
56	F	90.5	Very high	91.2	Very high	178 Å²	178	59.3 Å²	59.3	78%	0.781	33%	0.334	S	S	*	.	S	Bend	trans	-97.8	-13	-179.1	-62.4	-81.8	0	0	0	113	T54	T54-F56 HydrophobicContact CG2-CE1 4.29Å; T54-F56 HydrophobicContact CG2-CE2 4.38Å; T54-F56 HydrophobicContact CG2-CZ 4.07Å
57	S	88.1	Confident	91.1	Very high	39 Å²	39	54.4 Å²	54.4	27%	0.273	31%	0.312	S	S	.	.	S	Bend	trans	-160.9	161.2	-179.4	72.5	0	0	0	0	112.8	S59 G60 L61	S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3.37Å; S57-S59 PolarHBondContact OG-OG 3.28Å; S57-G60 PolarHBondContact O-N 3.44Å; S57-G60 PolarHBondContact OG-N 3.08Å; S57-G60 VanDerWaalsContact OG-N 3.13Å; S57-L61 PolarHBondContact O-N 2.87Å
58	P	85.9	Confident	90.9	Very high	21 Å²	21	48.3 Å²	48.3	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-34	172.6	-28.1	37.2	0	0	0	114.5	T62 L87 L88 F91	P58-T62 WeakPolarHBondContact O-CB 3.47Å; P58-T62 PolarHBondContact O-N 2.92Å; P58-T62 PolarHBondContact O-OG1 3.46Å; P58-L87 HydrophobicContact CG-CD2 4.4Å; P58-L88 HydrophobicContact CG-CD1 4.37Å; P58-F91 HydrophobicContact CB-CB 4.48Å; P58-F91 HydrophobicContact CB-CD1 3.73Å; P58-F91 HydrophobicContact CB-CD2 4.17Å; P58-F91 HydrophobicContact CB-CE1 3.81Å; P58-F91 HydrophobicContact CB-CE2 4.28Å; P58-F91 HydrophobicContact CB-CG 3.89Å; P58-F91 HydrophobicContact CB-CZ 4.1Å; P58-F91 HydrophobicContact CG-CB 4.33Å; P58-F91 HydrophobicContact CG-CD1 4.42Å; P58-F91 HydrophobicContact CG-CG 4.25Å
59	S	86.6	Confident	90.8	Very high	47 Å²	47	50.9 Å²	50.9	33%	0.329	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-43.3	178	50.1	0	0	0	0	111.2	S57 L61 T62 Y63	S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3.37Å; S57-S59 PolarHBondContact OG-OG 3.28Å; S59-L61 VanDerWaalsContact C-N 3.34Å; S59-L61 PolarHBondContact O-N 3.14Å; S59-T62 PolarHBondContact O-N 3.35Å; S59-Y63 WeakPolarHBondContact O-CD2 3.37Å; S59-Y63 PolarHBondContact O-N 2.87Å
60	G	89.5	Confident	90.7	Very high	30 Å²	30	53.5 Å²	53.5	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-56.2	-47.6	176	0	0	0	0	0	112	S57 Y63 S64	S57-G60 PolarHBondContact O-N 3.44Å; S57-G60 PolarHBondContact OG-N 3.08Å; S57-G60 VanDerWaalsContact OG-N 3.13Å; G60-Y63 PolarHBondContact O-N 2.91Å; G60-S64 WeakPolarHBondContact O-CB 3.32Å; G60-S64 PolarHBondContact O-N 3.42Å; G60-S64 VanDerWaalsContact O-N 3.17Å; G60-S64 PolarHBondContact O-OG 2.9Å
61	L	88.5	Confident	90.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-46.9	172.9	175.5	73.9	0	0	0	112.1	F55 S57 S59 Y63 S64 L65 L88 F91 M92	F55-L61 HydrophobicContact CB-CB 4.5Å; F55-L61 HydrophobicContact CD1-CB 3.91Å; F55-L61 HydrophobicContact CD1-CD1 4.03Å; F55-L61 HydrophobicContact CD2-CD1 3.79Å; F55-L61 HydrophobicContact CE1-CB 4.28Å; F55-L61 HydrophobicContact CE1-CD1 3.75Å; F55-L61 HydrophobicContact CE2-CD1 3.47Å; F55-L61 VanDerWaalsContact CE2-CD1 3.47Å; F55-L61 HydrophobicContact CG-CB 4.1Å; F55-L61 HydrophobicContact CG-CD1 4.05Å; F55-L61 HydrophobicContact CZ-CD1 3.45Å; F55-L61 VanDerWaalsContact CZ-CD1 3.45Å; S57-L61 PolarHBondContact O-N 2.87Å; S59-L61 VanDerWaalsContact C-N 3.34Å; S59-L61 PolarHBondContact O-N 3.14Å; L61-Y63 VanDerWaalsContact C-N 3.3Å; L61-Y63 PolarHBondContact O-N 3Å; L61-S64 PolarHBondContact O-N 3.24Å; L61-L65 HydrophobicContact CD1-CB 4.19Å; L61-L65 HydrophobicContact CD1-CD1 4.22Å; L61-L65 HydrophobicContact CD1-CD2 4.33Å; L61-L65 HydrophobicContact CD1-CG 4.5Å; L61-L65 WeakPolarHBondContact O-CB 3.08Å; L61-L65 PolarHBondContact O-N 3.13Å; L61-L88 HydrophobicContact CB-CD1 4.47Å; L61-L88 HydrophobicContact CD2-CD1 4.21Å; L61-F91 HydrophobicContact CD2-CD1 4.02Å; L61-F91 HydrophobicContact CD2-CE1 4.13Å; L61-M92 HydrophobicContact CD1-SD 4.01Å; L61-M92 HydrophobicContact CD2-CG 4.1Å; L61-M92 HydrophobicContact CD2-SD 3.16Å; L61-M92 WeakPolarHBondContact CD2-SD 3.29Å; L61-M92 HydrophobicContact CG-SD 4.2Å
62	T	88.6	Confident	90.6	Very high	61 Å²	61	51.7 Å²	51.7	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-38.3	-176.8	-60.6	0	0	0	0	112.5	P58 S59 R95	P58-T62 WeakPolarHBondContact O-CB 3.47Å; P58-T62 PolarHBondContact O-N 2.92Å; P58-T62 PolarHBondContact O-OG1 3.46Å; S59-T62 PolarHBondContact O-N 3.35Å; T62-R95 PolarHBondContact OG1-NH2 3.38Å
63	Y	91.6	Very high	90.6	Very high	82 Å²	82	51 Å²	51	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-83.3	-21.6	-177.9	-58.3	-38.5	0	0	0	114	A32 S59 G60 L61 H67	A32-Y63 HydrophobicContact CB-CD1 3.77Å; A32-Y63 HydrophobicContact CB-CD2 3.87Å; A32-Y63 HydrophobicContact CB-CE1 4.22Å; A32-Y63 HydrophobicContact CB-CE2 4.31Å; A32-Y63 HydrophobicContact CB-CG 3.58Å; S59-Y63 WeakPolarHBondContact O-CD2 3.37Å; S59-Y63 PolarHBondContact O-N 2.87Å; G60-Y63 PolarHBondContact O-N 2.91Å; L61-Y63 VanDerWaalsContact C-N 3.3Å; L61-Y63 PolarHBondContact O-N 3Å; Y63-H67 PolarHBondContact O-CD2 3.17Å
64	S	92.3	Very high	90.5	Very high	11 Å²	11	55.4 Å²	55.4	8%	0.077	30%	0.299	C	S	.	.	H	α-helix	trans	-108.2	-24.4	-174.4	58.1	0	0	0	0	114.4	F55 G60 L61 K66 H67 I68	F55-S64 WeakPolarHBondContact CE1-OG 3.14Å; G60-S64 WeakPolarHBondContact O-CB 3.32Å; G60-S64 PolarHBondContact O-N 3.42Å; G60-S64 VanDerWaalsContact O-N 3.17Å; G60-S64 PolarHBondContact O-OG 2.9Å; L61-S64 PolarHBondContact O-N 3.24Å; S64-K66 VanDerWaalsContact C-N 3.32Å; S64-K66 PolarHBondContact O-N 3.2Å; S64-H67 PolarHBondContact O-N 3.39Å; S64-H67 VanDerWaalsContact O-N 3.13Å; S64-I68 WeakPolarHBondContact O-CG1 3.42Å; S64-I68 PolarHBondContact O-N 3.48Å
65	L	90.1	Very high	90.3	Very high	39 Å²	39	55.9 Å²	55.9	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-58	-41.5	-171.8	-179.5	63.7	0	0	0	113.2	L61 I68 Q69	L61-L65 HydrophobicContact CD1-CB 4.19Å; L61-L65 HydrophobicContact CD1-CD1 4.22Å; L61-L65 HydrophobicContact CD1-CD2 4.33Å; L61-L65 HydrophobicContact CD1-CG 4.5Å; L61-L65 WeakPolarHBondContact O-CB 3.08Å; L61-L65 PolarHBondContact O-N 3.13Å; L65-I68 PolarHBondContact O-N 3Å; L65-Q69 HydrophobicContact CD1-CG 4.37Å; L65-Q69 WeakPolarHBondContact O-CB 3.17Å; L65-Q69 VanDerWaalsContact O-CG 3.29Å; L65-Q69 WeakPolarHBondContact O-CG 3.29Å; L65-Q69 PolarHBondContact O-N 3.38Å
66	K	90.6	Very high	90.1	Very high	129 Å²	129	56.7 Å²	56.7	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-60.8	-47	178.6	-179.2	178.8	169.6	-178	0	111.4	S64 I68 Q69 E70	S64-K66 VanDerWaalsContact C-N 3.32Å; S64-K66 PolarHBondContact O-N 3.2Å; K66-I68 PolarHBondContact O-N 2.61Å; K66-Q69 WeakPolarHBondContact O-CB 3.42Å; K66-Q69 PolarHBondContact O-N 3.07Å; K66-E70 WeakPolarHBondContact CE-OE1 3.46Å; K66-E70 IonicContact NZ-OE1 3.9Å; K66-E70 WeakPolarHBondContact O-CG 3.18Å; K66-E70 PolarHBondContact O-N 2.95Å
67	H	93.6	Very high	89.8	Confident	33 Å²	33	51.7 Å²	51.7	15%	0.153	29%	0.285	C	S	.	.	H	α-helix	trans	-66	-38.8	179.1	-60.1	-51.5	0	0	0	112.1	L40 Y63 S64 Q69 E70 L71	L40-H67 HydrophobicContact CD1-CB 3.63Å; Y63-H67 PolarHBondContact O-CD2 3.17Å; S64-H67 PolarHBondContact O-N 3.39Å; S64-H67 VanDerWaalsContact O-N 3.13Å; H67-Q69 VanDerWaalsContact C-N 3.34Å; H67-E70 IonicContact ND1-OE2 2.95Å; H67-E70 PolarHBondContact O-N 3.25Å; H67-L71 WeakPolarHBondContact O-CB 3.49Å; H67-L71 WeakPolarHBondContact O-CG 3.37Å; H67-L71 PolarHBondContact O-N 3.35Å
68	I	92.9	Very high	89.7	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-43.4	174.6	-68.4	162.6	0	0	0	110.4	L40 I53 F55 S64 L65 K66 L71 S72 I76	L40-I68 HydrophobicContact CD1-CG1 4.17Å; L40-I68 HydrophobicContact CD2-CG1 4.37Å; I53-I68 HydrophobicContact CD1-CD1 3.88Å; I53-I68 HydrophobicContact CD1-CG1 4.07Å; I53-I68 HydrophobicContact CD1-CG2 3.61Å; I53-I68 HydrophobicContact CG2-CD1 4.22Å; F55-I68 HydrophobicContact CE1-CD1 3.95Å; F55-I68 HydrophobicContact CZ-CD1 3.85Å; S64-I68 WeakPolarHBondContact O-CG1 3.42Å; S64-I68 PolarHBondContact O-N 3.48Å; L65-I68 PolarHBondContact O-N 3Å; K66-I68 PolarHBondContact O-N 2.61Å; I68-L71 PolarHBondContact O-N 2.96Å; I68-S72 WeakPolarHBondContact O-CB 3.34Å; I68-S72 PolarHBondContact O-N 2.93Å; I68-S72 PolarHBondContact O-OG 3.42Å; I68-I76 HydrophobicContact CG2-CD1 4.27Å
69	Q	90.3	Very high	89.8	Confident	86 Å²	86	56.1 Å²	56.1	40%	0.402	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-46.8	176.5	-75.5	170.8	-25.8	0	0	112.3	L65 K66 H67 L71 G73 I76	L65-Q69 HydrophobicContact CD1-CG 4.37Å; L65-Q69 WeakPolarHBondContact O-CB 3.17Å; L65-Q69 VanDerWaalsContact O-CG 3.29Å; L65-Q69 WeakPolarHBondContact O-CG 3.29Å; L65-Q69 PolarHBondContact O-N 3.38Å; K66-Q69 WeakPolarHBondContact O-CB 3.42Å; K66-Q69 PolarHBondContact O-N 3.07Å; H67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 2.92Å; Q69-G73 PolarHBondContact O-N 3.18Å; Q69-I76 HydrophobicContact CB-CD1 4.11Å; Q69-I76 HydrophobicContact CG-CD1 3.46Å; Q69-I76 VanDerWaalsContact CG-CD1 3.46Å
70	E	93.1	Very high	89.9	Confident	111 Å²	111	60.2 Å²	60.2	52%	0.519	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-42.7	178.6	-71.6	166.6	171.6	0	0	112	K66 H67	K66-E70 WeakPolarHBondContact CE-OE1 3.46Å; K66-E70 IonicContact NZ-OE1 3.9Å; K66-E70 WeakPolarHBondContact O-CG 3.18Å; K66-E70 PolarHBondContact O-N 2.95Å; H67-E70 IonicContact ND1-OE2 2.95Å; H67-E70 PolarHBondContact O-N 3.25Å
71	L	94.3	Very high	89.7	Confident	55 Å²	55	59.9 Å²	59.9	29%	0.288	30%	0.303	S	S	.	.	H	α-helix	trans	-78.3	-32	-178.4	-71.2	169.4	0	0	0	114	L40 N41 Y44 H67 I68 Q69	L40-L71 HydrophobicContact CB-CD1 3.65Å; N41-L71 WeakPolarHBondContact OD1-CD1 3.12Å; N41-L71 WeakPolarHBondContact OD1-CD2 3.37Å; Y44-L71 HydrophobicContact CD1-CB 3.66Å; Y44-L71 HydrophobicContact CD2-CB 4.15Å; Y44-L71 HydrophobicContact CD2-CD1 3.77Å; Y44-L71 HydrophobicContact CE1-CB 3.7Å; Y44-L71 HydrophobicContact CE2-CB 4.2Å; Y44-L71 HydrophobicContact CE2-CD1 4.1Å; Y44-L71 HydrophobicContact CG-CB 3.89Å; Y44-L71 HydrophobicContact CG-CD1 4.08Å; Y44-L71 HydrophobicContact CG-CG 4.42Å; H67-L71 WeakPolarHBondContact O-CB 3.49Å; H67-L71 WeakPolarHBondContact O-CG 3.37Å; H67-L71 PolarHBondContact O-N 3.35Å; I68-L71 PolarHBondContact O-N 2.96Å; Q69-L71 PolarHBondContact O-N 2.92Å
72	S	91.3	Very high	89.5	Confident	4 Å²	4	62.8 Å²	62.8	3%	0.028	32%	0.318	C	S	.	.	H	α-helix	trans	-82	-28	-178.9	-54.4	0	0	0	0	112.4	Y44 I68 D74 N75 I79	Y44-S72 PolarHBondContact OH-OG 3.35Å; I68-S72 WeakPolarHBondContact O-CB 3.34Å; I68-S72 PolarHBondContact O-N 2.93Å; I68-S72 PolarHBondContact O-OG 3.42Å; S72-D74 PolarHBondContact O-N 3.36Å; S72-N75 WeakPolarHBondContact O-CB 3.45Å; S72-N75 PolarHBondContact O-N 3.09Å; S72-I79 WeakPolarHBondContact OG-CD1 2.89Å
73	G	90.7	Very high	89.2	Confident	43 Å²	43	61.5 Å²	61.5	44%	0.443	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	50.6	-128.5	-175.6	0	0	0	0	0	111.7	Q69 N75 I76	Q69-G73 PolarHBondContact O-N 3.18Å; G73-N75 PolarHBondContact O-N 3.3Å; G73-I76 WeakPolarHBondContact O-CG2 3.37Å; G73-I76 PolarHBondContact O-N 2.92Å
74	D	89.4	Confident	88.4	Confident	119 Å²	119	60.8 Å²	60.8	64%	0.636	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-68.8	-16.1	177.9	-77.1	-54.6	0	0	0	114.6	S72 I76 K106	S72-D74 PolarHBondContact O-N 3.36Å; D74-I76 PolarHBondContact O-N 2.93Å; D74-K106 IonicContact OD1-NZ 2.76Å; D74-K106 PolarHBondContact OD1-NZ 2.81Å
75	N	88.6	Confident	87.4	Confident	71 Å²	71	61.7 Å²	61.7	38%	0.38	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-81.9	-1.3	-179.8	-63.2	-44.2	0	0	0	113.1	V49 S72 G73 D77 Q78	V49-N75 HydrophobicContact CG1-CB 4.07Å; V49-N75 HydrophobicContact CG2-CB 4.1Å; S72-N75 WeakPolarHBondContact O-CB 3.45Å; S72-N75 PolarHBondContact O-N 3.09Å; G73-N75 PolarHBondContact O-N 3.3Å; N75-D77 PolarHBondContact O-N 3.42Å; N75-Q78 WeakPolarHBondContact O-CB 3.36Å; N75-Q78 PolarHBondContact O-N 3.3Å; N75-Q78 PolarHBondContact OD1-NE2 2.68Å; N75-Q78 VanDerWaalsContact OD1-NE2 3.09Å
76	I	86	Confident	86.5	Confident	28 Å²	28	65.5 Å²	65.5	14%	0.144	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-61.2	-29.4	-178.2	-166.2	148.2	0	0	0	113.5	I68 Q69 G73 D74 Q78 I79	I68-I76 HydrophobicContact CG2-CD1 4.27Å; Q69-I76 HydrophobicContact CB-CD1 4.11Å; Q69-I76 HydrophobicContact CG-CD1 3.46Å; Q69-I76 VanDerWaalsContact CG-CD1 3.46Å; G73-I76 WeakPolarHBondContact O-CG2 3.37Å; G73-I76 PolarHBondContact O-N 2.92Å; D74-I76 PolarHBondContact O-N 2.93Å; I76-Q78 PolarHBondContact O-N 2.88Å; I76-I79 PolarHBondContact O-N 2.94Å; I76-I79 VanDerWaalsContact O-N 3.14Å
77	D	83.1	Confident	85.5	Confident	74 Å²	74	65.1 Å²	65.1	40%	0.396	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22.5	176.3	-80.4	-43.9	0	0	0	113.2	N75 I79 K106	N75-D77 PolarHBondContact O-N 3.42Å; D77-I79 VanDerWaalsContact C-N 3.33Å; D77-K106 WeakPolarHBondContact OD1-CA 3.14Å; D77-K106 WeakPolarHBondContact OD1-CB 3.16Å; D77-K106 WeakPolarHBondContact OD2-CB 3.38Å; D77-K106 WeakPolarHBondContact OD2-CD 3.33Å; D77-K106 WeakPolarHBondContact OD2-CG 3.32Å
78	Q	86.9	Confident	84.5	Confident	141 Å²	141	63.9 Å²	63.9	66%	0.659	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-85.6	-12.7	-179.1	-55.2	175.3	32.4	0	0	111.6	N75 I76	N75-Q78 WeakPolarHBondContact O-CB 3.36Å; N75-Q78 PolarHBondContact O-N 3.3Å; N75-Q78 PolarHBondContact OD1-NE2 2.68Å; N75-Q78 VanDerWaalsContact OD1-NE2 3.09Å; I76-Q78 PolarHBondContact O-N 2.88Å
79	I	88.6	Confident	83.6	Confident	12 Å²	12	66.7 Å²	66.7	6%	0.062	36%	0.364	C	S	.	.	S	Bend	trans	-87.1	120.7	-176.2	-50.1	-177.3	0	0	0	110	V49 P50 I53 S72 I76 D77 L81	V49-I79 HydrophobicContact CG1-CD1 3.67Å; V49-I79 HydrophobicContact CG1-CG1 3.81Å; P50-I79 HydrophobicContact CG-CD1 4.36Å; P50-I79 WeakPolarHBondContact O-CG1 3.32Å; I53-I79 HydrophobicContact CB-CG2 4.3Å; I53-I79 HydrophobicContact CD1-CD1 4.38Å; I53-I79 HydrophobicContact CD1-CG2 3.83Å; I53-I79 HydrophobicContact CG1-CG2 3.71Å; S72-I79 WeakPolarHBondContact OG-CD1 2.89Å; I76-I79 PolarHBondContact O-N 2.94Å; I76-I79 VanDerWaalsContact O-N 3.14Å; D77-I79 VanDerWaalsContact C-N 3.33Å; I79-L81 HydrophobicContact CG2-CD2 4.02Å; I79-L81 PolarHBondContact O-N 3.04Å
80	K	87.9	Confident	82.8	Confident	132 Å²	132	69.5 Å²	69.5	57%	0.574	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	109.5	172.6	-168.1	177.5	-174.2	-178	0	110.7	A51 S52 I53 L82	A51-K80 PolarHBondContact O-N 3.26Å; S52-K80 CarbonylContact C-O 3.49Å; S52-K80 WeakPolarHBondContact CA-O 3.31Å; S52-K80 VanDerWaalsContact CB-O 3.29Å; S52-K80 WeakPolarHBondContact CB-O 3.29Å; I53-K80 PolarHBondContact N-O 3.45Å; K80-L82 HydrophobicContact CD-CD2 3.93Å; K80-L82 HydrophobicContact CG-CD2 3.88Å; K80-L82 HydrophobicContact CG-CG 4.42Å
81	L	85.8	Confident	81.8	Confident	23 Å²	23	67.1 Å²	67.1	12%	0.12	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121	173.2	-53.2	-175.3	0	0	0	110.1	I53 F55 I79 M92	I53-L81 HydrophobicContact CB-CD2 4.14Å; I53-L81 WeakPolarHBondContact O-CA 3.35Å; F55-L81 HydrophobicContact CE2-CB 4.33Å; F55-L81 HydrophobicContact CE2-CD1 4.46Å; F55-L81 HydrophobicContact CE2-CD2 4Å; F55-L81 HydrophobicContact CE2-CG 4.48Å; F55-L81 HydrophobicContact CZ-CD2 4.49Å; I79-L81 HydrophobicContact CG2-CD2 4.02Å; I79-L81 PolarHBondContact O-N 3.04Å; L81-M92 HydrophobicContact CB-CE 4.46Å; L81-M92 HydrophobicContact CD1-CE 4.06Å
82	L	84.8	Confident	80.6	Confident	62 Å²	62	66.1 Å²	66.1	33%	0.325	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.9	-180	-58.5	177.1	0	0	0	110.2	I53 T54 F55 K80	I53-L82 PolarHBondContact O-N 3.49Å; T54-L82 WeakPolarHBondContact CA-O 3.29Å; T54-L82 HydrophobicContact CG2-CB 4.3Å; F55-L82 PolarHBondContact N-O 2.99Å; K80-L82 HydrophobicContact CD-CD2 3.93Å; K80-L82 HydrophobicContact CG-CD2 3.88Å; K80-L82 HydrophobicContact CG-CG 4.42Å
83	D	82.1	Confident	79.6	Confident	33 Å²	33	71 Å²	71	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.2	171.6	57.5	49.9	0	0	0	111.6	L88 K89	D83-L88 HydrophobicContact CB-CB 4.05Å; D83-L88 HydrophobicContact CB-CD2 3.35Å; D83-L88 HydrophobicContact CB-CG 3.59Å; D83-K89 VanDerWaalsContact CG-CG 3.41Å; D83-K89 WeakPolarHBondContact OD1-CE 3.48Å; D83-K89 WeakPolarHBondContact OD1-CG 3.15Å; D83-K89 WeakPolarHBondContact OD2-CG 3.5Å
84	G	74	Confident	78.2	Confident	67 Å²	67	71.2 Å²	71.2	69%	0.691	38%	0.382	S	S	*	.	S	Bend	trans	-88	-0.3	177.6	0	0	0	0	0	114.6	F55	F55-G84 PolarHBondContact O-N 3.4Å
85	G	71.9	Confident	76.9	Confident	30 Å²	30	70.6 Å²	70.6	31%	0.309	37%	0.371	S	S	.	.	S	Bend	trans	-164.2	151.4	-171.6	0	0	0	0	0	117	L87 L88 K89	G85-L87 VanDerWaalsContact C-N 3.29Å; G85-L87 PolarHBondContact O-N 3.13Å; G85-L88 WeakPolarHBondContact O-CB 3.4Å; G85-L88 PolarHBondContact O-N 3.48Å; G85-K89 PolarHBondContact O-N 2.89Å
86	E	70.7	Confident	75.2	Confident	120 Å²	120	72.9 Å²	72.9	56%	0.561	38%	0.383	S	S	*	.	H	α-helix	trans	-56.2	-35.3	-177.7	-76.2	-62.9	129.7	0	0	114.2	L88 K89 K90	E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 3Å; E86-K89 WeakPolarHBondContact O-CB 3.5Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 WeakPolarHBondContact OE1-CD 3.47Å; E86-K89 IonicContact OE1-NZ 3.63Å; E86-K89 PolarHBondContact OE1-NZ 2.97Å; E86-K90 PolarHBondContact O-N 3.49Å; E86-K90 VanDerWaalsContact O-N 3.15Å
87	L	69.4	Low	73.3	Confident	121 Å²	121	80 Å²	80	63%	0.634	41%	0.413	S	S	*	.	H	α-helix	trans	-64.2	-38.7	177.8	-172.7	72.2	0	0	0	111.6	P58 G85 F91	P58-L87 HydrophobicContact CG-CD2 4.4Å; G85-L87 VanDerWaalsContact C-N 3.29Å; G85-L87 PolarHBondContact O-N 3.13Å; L87-F91 WeakPolarHBondContact O-CB 3.32Å; L87-F91 PolarHBondContact O-N 2.89Å; L87-F91 VanDerWaalsContact O-N 3.09Å
88	L	72.9	Confident	70.9	Confident	6 Å²	6	79.8 Å²	79.8	3%	0.031	43%	0.427	C	S	.	.	H	α-helix	trans	-73	-37.5	179.3	-179.6	57.7	0	0	0	110.9	F55 P58 L61 D83 G85 E86 K90 F91 M92	F55-L88 HydrophobicContact CB-CD2 3.56Å; F55-L88 WeakPolarHBondContact O-CD2 3.31Å; P58-L88 HydrophobicContact CG-CD1 4.37Å; L61-L88 HydrophobicContact CB-CD1 4.47Å; L61-L88 HydrophobicContact CD2-CD1 4.21Å; D83-L88 HydrophobicContact CB-CB 4.05Å; D83-L88 HydrophobicContact CB-CD2 3.35Å; D83-L88 HydrophobicContact CB-CG 3.59Å; G85-L88 WeakPolarHBondContact O-CB 3.4Å; G85-L88 PolarHBondContact O-N 3.48Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 3Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 2.92Å; L88-F91 PolarHBondContact O-N 3.42Å; L88-M92 HydrophobicContact CD1-CG 4.21Å; L88-M92 HydrophobicContact CG-CG 4.45Å; L88-M92 WeakPolarHBondContact O-CB 3.4Å; L88-M92 VanDerWaalsContact O-CG 3.28Å; L88-M92 WeakPolarHBondContact O-CG 3.26Å; L88-M92 PolarHBondContact O-N 3.38Å
89	K	73.9	Confident	68.5	Low	62 Å²	62	75.9 Å²	75.9	27%	0.27	42%	0.416	S	S	.	.	H	α-helix	trans	-54.1	-49.8	171	-67.8	177.8	-170	171.4	0	111.8	D83 G85 E86 F91 M92 Q93	D83-K89 VanDerWaalsContact CG-CG 3.41Å; D83-K89 WeakPolarHBondContact OD1-CE 3.48Å; D83-K89 WeakPolarHBondContact OD1-CG 3.15Å; D83-K89 WeakPolarHBondContact OD2-CG 3.5Å; G85-K89 PolarHBondContact O-N 2.89Å; E86-K89 WeakPolarHBondContact O-CB 3.5Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 WeakPolarHBondContact OE1-CD 3.47Å; E86-K89 IonicContact OE1-NZ 3.63Å; E86-K89 PolarHBondContact OE1-NZ 2.97Å; K89-F91 VanDerWaalsContact C-N 3.35Å; K89-F91 PolarHBondContact O-N 3.35Å; K89-M92 PolarHBondContact O-N 3.29Å; K89-Q93 WeakPolarHBondContact O-CB 3.49Å; K89-Q93 VanDerWaalsContact O-CG 3.27Å; K89-Q93 WeakPolarHBondContact O-CG 3.36Å; K89-Q93 PolarHBondContact O-N 3.47Å
90	K	72.8	Confident	66	Low	145 Å²	145	83.7 Å²	83.7	63%	0.63	45%	0.452	S	S	*	.	H	α-helix	trans	-63	-41.3	178.4	-71.1	-179.4	-179.4	179.2	0	112	E86 L88 Q93 G94	E86-K90 PolarHBondContact O-N 3.49Å; E86-K90 VanDerWaalsContact O-N 3.15Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 2.92Å; K90-Q93 PolarHBondContact O-N 3.01Å; K90-G94 PolarHBondContact O-N 3.48Å
91	F	72.3	Confident	63.4	Low	62 Å²	62	88.6 Å²	88.6	27%	0.272	47%	0.467	S	S	.	.	H	α-helix	trans	-64.6	-41.5	178.4	-171.5	-104.5	0	0	0	112.3	P58 L61 L87 L88 K89 G94 R95	P58-F91 HydrophobicContact CB-CB 4.48Å; P58-F91 HydrophobicContact CB-CD1 3.73Å; P58-F91 HydrophobicContact CB-CD2 4.17Å; P58-F91 HydrophobicContact CB-CE1 3.81Å; P58-F91 HydrophobicContact CB-CE2 4.28Å; P58-F91 HydrophobicContact CB-CG 3.89Å; P58-F91 HydrophobicContact CB-CZ 4.1Å; P58-F91 HydrophobicContact CG-CB 4.33Å; P58-F91 HydrophobicContact CG-CD1 4.42Å; P58-F91 HydrophobicContact CG-CG 4.25Å; L61-F91 HydrophobicContact CD2-CD1 4.02Å; L61-F91 HydrophobicContact CD2-CE1 4.13Å; L87-F91 WeakPolarHBondContact O-CB 3.32Å; L87-F91 PolarHBondContact O-N 2.89Å; L87-F91 VanDerWaalsContact O-N 3.09Å; L88-F91 PolarHBondContact O-N 3.42Å; K89-F91 VanDerWaalsContact C-N 3.35Å; K89-F91 PolarHBondContact O-N 3.35Å; F91-G94 PolarHBondContact O-N 3.48Å; F91-R95 VanDerWaalsContact CE1-NH1 3.27Å; F91-R95 VanDerWaalsContact CZ-NH2 3.31Å; F91-R95 PolarHBondContact O-N 3.01Å
92	M	69.8	Low	60.6	Low	33 Å²	33	95.2 Å²	95.2	16%	0.163	50%	0.502	C	S	.	.	H	α-helix	trans	-63.3	-45.7	174.2	-74.9	-70.2	-85.9	0	0	111.9	L61 L81 L88 K89 G94 R95 N96	L61-M92 HydrophobicContact CD1-SD 4.01Å; L61-M92 HydrophobicContact CD2-CG 4.1Å; L61-M92 HydrophobicContact CD2-SD 3.16Å; L61-M92 WeakPolarHBondContact CD2-SD 3.29Å; L61-M92 HydrophobicContact CG-SD 4.2Å; L81-M92 HydrophobicContact CB-CE 4.46Å; L81-M92 HydrophobicContact CD1-CE 4.06Å; L88-M92 HydrophobicContact CD1-CG 4.21Å; L88-M92 HydrophobicContact CG-CG 4.45Å; L88-M92 WeakPolarHBondContact O-CB 3.4Å; L88-M92 VanDerWaalsContact O-CG 3.28Å; L88-M92 WeakPolarHBondContact O-CG 3.26Å; L88-M92 PolarHBondContact O-N 3.38Å; K89-M92 PolarHBondContact O-N 3.29Å; M92-G94 VanDerWaalsContact C-N 3.35Å; M92-G94 PolarHBondContact O-N 3.12Å; M92-R95 PolarHBondContact O-N 3.28Å; M92-N96 PolarHBondContact O-N 3.39Å
93	Q	69.5	Low	58.4	Low	108 Å²	108	98.1 Å²	98.1	51%	0.505	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-38.3	177	-72.2	172	13.1	0	0	112.8	K89 K90 N96	K89-Q93 WeakPolarHBondContact O-CB 3.49Å; K89-Q93 VanDerWaalsContact O-CG 3.27Å; K89-Q93 WeakPolarHBondContact O-CG 3.36Å; K89-Q93 PolarHBondContact O-N 3.47Å; K90-Q93 PolarHBondContact O-N 3.01Å; Q93-N96 PolarHBondContact O-N 2.9Å
94	G	62.6	Low	56.1	Low	47 Å²	47	108.7 Å²	108.7	49%	0.485	56%	0.555	S	S	.	*	H	α-helix	trans	-64.6	-39.3	178.8	0	0	0	0	0	113.3	K90 F91 M92 N96 K97	K90-G94 PolarHBondContact O-N 3.48Å; F91-G94 PolarHBondContact O-N 3.48Å; M92-G94 VanDerWaalsContact C-N 3.35Å; M92-G94 PolarHBondContact O-N 3.12Å; G94-N96 VanDerWaalsContact C-N 3.3Å; G94-N96 PolarHBondContact O-N 3.26Å; G94-K97 PolarHBondContact O-N 3.25Å
95	R	61.1	Low	54.3	Low	106 Å²	106	109.1 Å²	109.1	40%	0.4	55%	0.552	S	S	.	*	H	α-helix	trans	-66.2	-31.4	175	-79.1	-169.6	172.9	147.1	1.5	113.2	T62 F91 M92 K97	T62-R95 PolarHBondContact OG1-NH2 3.38Å; F91-R95 VanDerWaalsContact CE1-NH1 3.27Å; F91-R95 VanDerWaalsContact CZ-NH2 3.31Å; F91-R95 PolarHBondContact O-N 3.01Å; M92-R95 PolarHBondContact O-N 3.28Å; R95-K97 PolarHBondContact O-N 3.12Å
96	N	54	Low	52.7	Low	118 Å²	118	113 Å²	113	63%	0.631	56%	0.56	S	S	*	*	H	α-helix	trans	-72.5	-17	-179.9	-152.3	11.5	0	0	0	113.2	M92 Q93 G94	M92-N96 PolarHBondContact O-N 3.39Å; Q93-N96 PolarHBondContact O-N 2.9Å; G94-N96 VanDerWaalsContact C-N 3.3Å; G94-N96 PolarHBondContact O-N 3.26Å
97	K	45.5	Very low	51.3	Low	179 Å²	179	110.8 Å²	110.8	78%	0.778	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-8.4	-178.2	-69	-174.7	178.7	-176	0	114.9	G94 R95	G94-K97 PolarHBondContact O-N 3.25Å; R95-K97 PolarHBondContact O-N 3.12Å
98	G	33.1	Very low	49.7	Very low	68 Å²	68	114.2 Å²	114.2	70%	0.701	57%	0.565	S	S	*	*	S	Bend	trans	-110.5	4.9	-166.9	0	0	0	0	0	117.5
99	S	36.2	Very low	48.2	Very low	60 Å²	60	116.4 Å²	116.4	42%	0.42	58%	0.58	S	S	.	*			trans	-116.2	75.1	-173.4	-158.5	0	0	0	0	113.8	L103	S99-L103 WeakPolarHBondContact OG-CD1 3.43Å
100	H	35.3	Very low	46.3	Very low	176 Å²	176	120.4 Å²	120.4	82%	0.815	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	105.4	159.1	-80.7	-100.7	0	0	0	106.7
101	R	33.4	Very low	45	Very low	234 Å²	234	118.5 Å²	118.5	88%	0.883	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn		-164.3	16.3	74.8	-87.2	-177	-77.7	-177	-3.2	114.4
102	N	27.8	Very low	43.1	Very low	162 Å²	162	120.4 Å²	120.4	87%	0.866	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141	3	177.5	-108.3	-24	0	0	0	115.8
103	L	39.2	Very low	41.6	Very low	124 Å²	124	124.6 Å²	124.6	65%	0.649	64%	0.642	S	S	*	*			trans	-106.6	28.6	-176.2	-89.4	147.4	0	0	0	112.9	S99 A105	S99-L103 WeakPolarHBondContact OG-CD1 3.43Å; L103-A105 VanDerWaalsContact C-N 3.26Å; L103-A105 PolarHBondContact O-N 3.17Å
104	R	32.5	Very low	40.3	Very low	254 Å²	254	130.6 Å²	130.6	96%	0.958	66%	0.66	S	S	*	*			trans	-89.4	50.2	179.8	-150.8	-174.9	-158.9	-157	5.7	111.7
105	A	37.2	Very low	39.1	Very low	77 Å²	77	134.4 Å²	134.4	64%	0.636	68%	0.676	S	S	*	*	S	Bend	trans	-175.3	148.4	157.1	0	0	0	0	0	109.1	L103	L103-A105 VanDerWaalsContact C-N 3.26Å; L103-A105 PolarHBondContact O-N 3.17Å
106	K	38.4	Very low	38.2	Very low	110 Å²	110	140.7 Å²	140.7	48%	0.478	70%	0.7	S	S	.	*	S	Bend	trans	85.8	33.3	160	-56.3	-172.1	168	179.6	0	120.1	D74 D77	D74-K106 IonicContact OD1-NZ 2.76Å; D74-K106 PolarHBondContact OD1-NZ 2.81Å; D77-K106 WeakPolarHBondContact OD1-CA 3.14Å; D77-K106 WeakPolarHBondContact OD1-CB 3.16Å; D77-K106 WeakPolarHBondContact OD2-CB 3.38Å; D77-K106 WeakPolarHBondContact OD2-CD 3.33Å; D77-K106 WeakPolarHBondContact OD2-CG 3.32Å
107	V	40.3	Very low	37.4	Very low	75 Å²	75	138.4 Å²	138.4	46%	0.455	70%	0.704	S	S	.	*			trans	-136.2	83.6	142.1	-173.4	0	0	0	0	106.7	C109	V107-C109 PolarHBondContact O-N 3.47Å
108	K	36.1	Very low	37	Very low	192 Å²	192	134.6 Å²	134.6	84%	0.835	71%	0.706	S	S	*	*			trans	-71	91	164.4	-99.3	-177.2	177.4	176.8	0	107	N110	K108-N110 PolarHBondContact O-N 3.2Å
109	C	40.3	Very low	37.2	Very low	52 Å²	52	136.5 Å²	136.5	35%	0.351	71%	0.708	S	S	.	*			trans	-60.4	85.3	159.9	-69.6	0	0	0	0	107.9	V107 W111	V107-C109 PolarHBondContact O-N 3.47Å; C109-W111 VanDerWaalsContact C-N 3.28Å; C109-W111 HydrophobicContact CB-CE3 3.52Å; C109-W111 HydrophobicContact CB-CH2 4.44Å; C109-W111 HydrophobicContact CB-CZ3 3.47Å; C109-W111 VanDerWaalsContact CB-CZ3 3.47Å; C109-W111 PolarHBondContact O-N 3.16Å
110	N	35.8	Very low	37.3	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	73%	0.727	S	S	*	*			trans	-76.8	85.4	178.6	-152	25.1	0	0	0	108.1	K108	K108-N110 PolarHBondContact O-N 3.2Å
111	W	43.9	Very low	37.4	Very low	105 Å²	105	139.2 Å²	139.2	40%	0.398	73%	0.728	S	S	.	*	P	Polyproline II helix	trans	-81.7	132.2	179.8	-106.7	-123.5	0	0	0	109.7	C109	C109-W111 VanDerWaalsContact C-N 3.28Å; C109-W111 HydrophobicContact CB-CE3 3.52Å; C109-W111 HydrophobicContact CB-CH2 4.44Å; C109-W111 HydrophobicContact CB-CZ3 3.47Å; C109-W111 VanDerWaalsContact CB-CZ3 3.47Å; C109-W111 PolarHBondContact O-N 3.16Å
112	P	32.9	Very low	37.5	Very low	102 Å²	102	139.5 Å²	139.5	66%	0.662	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-60.3	141.2	167.8	25.3	-31.2	0	0	0	109.4	R114	P112-R114 PolarHBondContact O-N 3.41Å
113	P	39.1	Very low	38	Very low	121 Å²	121	138.4 Å²	138.4	79%	0.786	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-58.7	140.8	174	23.3	-30	0	0	0	109.3
114	R	42.4	Very low	38	Very low	234 Å²	234	139.2 Å²	139.2	88%	0.883	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-52.2	130.9	174.3	-73.4	-169.5	-117.5	-151.7	0.2	108.5	P112 R116	P112-R114 PolarHBondContact O-N 3.41Å; R114-R116 PolarHBondContact O-N 3.04Å
115	P	36.2	Very low	38.3	Very low	126 Å²	126	132.8 Å²	132.8	82%	0.818	73%	0.734	S	S	*	*			trans	-59.2	114.9	163.5	23.7	-28.9	0	0	0	106.8	G117	P115-G117 PolarHBondContact O-N 3.2Å
116	R	41.7	Very low	38.3	Very low	239 Å²	239	136.1 Å²	136.1	90%	0.902	74%	0.74	S	S	*	*			trans	-60.5	125.8	163.8	-85.1	-176.5	-82.5	-117.2	-0.5	105.4	R114 A118	R114-R116 PolarHBondContact O-N 3.04Å; R116-A118 PolarHBondContact O-N 3.44Å; R116-A118 VanDerWaalsContact O-N 3.12Å
117	G	38.3	Very low	38.3	Very low	70 Å²	70	137.7 Å²	137.7	72%	0.722	76%	0.756	S	S	*	*			trans	-47.5	123.2	179.2	0	0	0	0	0	109.3	P115 S119	P115-G117 PolarHBondContact O-N 3.2Å; G117-S119 VanDerWaalsContact C-N 3.28Å; G117-S119 PolarHBondContact O-N 3.07Å
118	A	37.2	Very low	38.2	Very low	99 Å²	99	141.9 Å²	141.9	82%	0.818	78%	0.776	S	S	*	*			trans	-68.4	98	162.7	0	0	0	0	0	105.5	R116 S120	R116-A118 PolarHBondContact O-N 3.44Å; R116-A118 VanDerWaalsContact O-N 3.12Å; A118-S120 VanDerWaalsContact C-N 3.3Å; A118-S120 PolarHBondContact O-N 2.94Å
119	S	37.3	Very low	38.3	Very low	108 Å²	108	138.3 Å²	138.3	76%	0.755	77%	0.772	S	S	*	*			trans	-62.6	99.2	156.4	37.4	0	0	0	0	106.5	G117 E121	G117-S119 VanDerWaalsContact C-N 3.28Å; G117-S119 PolarHBondContact O-N 3.07Å; S119-E121 VanDerWaalsContact C-N 3.28Å; S119-E121 PolarHBondContact O-N 2.92Å
120	S	37.1	Very low	38.2	Very low	117 Å²	117	144.9 Å²	144.9	82%	0.818	80%	0.804	S	S	*	*			trans	-78.6	86	160.2	60.2	0	0	0	0	107.5	A118	A118-S120 VanDerWaalsContact C-N 3.3Å; A118-S120 PolarHBondContact O-N 2.94Å
121	E	38.4	Very low	38.4	Very low	176 Å²	176	144.8 Å²	144.8	82%	0.822	81%	0.806	S	S	*	*			trans	-89.2	108	147.9	-83.7	177.6	141	0	0	106.5	S119	S119-E121 VanDerWaalsContact C-N 3.28Å; S119-E121 PolarHBondContact O-N 2.92Å
122	N	35.8	Very low	37.9	Very low	240 Å²	240	148.4 Å²	148.4	100%	1.283	84%	0.843	S	S	*	*			trans	-175.2	0	138.8	-95.9	-6.7	0	0	0	108.9

Retrieved 122 of 122 residues in 59.8 ms (Link to these results)

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