A0A3B3UUI7_9TELE Loading...

Cysteine and glycine-rich protein 3 (cardiac LIM protein)

AlphaFold DB , UniProt , Accession A0A3B3UUI7, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 193 aa.

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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	52	Low	68.2	Low	225 Å²	225	110.7 Å²	110.7	100%	1.108	65%	0.654	S	S	*	*				0	130.8	0	-66.1	110	107.3	0	0	108.5	N3	M1-N3 PolarHBondContact O-N 3.34Å
2	P	55.4	Low	69.3	Low	114 Å²	114	106.6 Å²	106.6	74%	0.74	64%	0.642	S	S	*	*			trans	-73.1	124.8	179.8	28.5	-29.5	0	0	0	110	W4	P2-W4 PolarHBondContact O-N 3.3Å; P2-W4 VanDerWaalsContact O-N 3.08Å
3	N	53.8	Low	70.5	Confident	170 Å²	170	101.5 Å²	101.5	91%	0.909	61%	0.614	S	S	*	*			trans	-67.7	100.3	179.2	-84.5	-32.7	0	0	0	110.4	M1	M1-N3 PolarHBondContact O-N 3.34Å
4	W	60.3	Low	71.2	Confident	250 Å²	250	106.3 Å²	106.3	95%	0.947	63%	0.626	S	S	*	*			trans	-82.7	115.7	163.8	-86	31.3	0	0	0	109	P2	P2-W4 PolarHBondContact O-N 3.3Å; P2-W4 VanDerWaalsContact O-N 3.08Å
5	G	56.4	Low	72.2	Confident	69 Å²	69	108.9 Å²	108.9	71%	0.711	63%	0.626	S	S	*	*			trans	171	59.7	173.6	0	0	0	0	0	113.4	G7	G5-G7 PolarHBondContact O-N 2.77Å
6	G	66.2	Low	73.1	Confident	92 Å²	92	106.7 Å²	106.7	95%	0.948	62%	0.615	S	S	*	*			trans	-66.5	80.4	168.3	0	0	0	0	0	110.9
7	G	70.9	Confident	73.8	Confident	33 Å²	33	100.5 Å²	100.5	34%	0.34	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-79.5	141.5	171.3	0	0	0	0	0	111	G5	G5-G7 PolarHBondContact O-N 2.77Å
8	T	81.4	Confident	74.4	Confident	68 Å²	68	104.2 Å²	104.2	42%	0.417	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-61	139.2	171.2	52.1	0	0	0	0	109.2	V17 E22 S29	T8-V17 PolarHBondContact O-N 3.14Å; T8-E22 PolarHBondContact OG1-OE2 2.78Å; T8-S29 WeakPolarHBondContact OG1-CB 3.2Å; T8-S29 PolarHBondContact OG1-OG 3Å
9	K	86.7	Confident	74.5	Confident	160 Å²	160	107.3 Å²	107.3	70%	0.696	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.5	139.7	-180	57.6	-179.8	176	179.5	0	110.9	G11	K9-G11 PolarHBondContact O-N 3.47Å
10	C	86.8	Confident	74.8	Confident	1 Å²	1	106.4 Å²	106.4	1%	0.007	60%	0.6	C	S	.	*	B	Isolated β-bridge	trans	-67.2	126.1	176.5	-176.3	0	0	0	0	110.3	A12 C13 E14 K15 V17 S29 H31	C10-A12 PolarHBondContact O-N 3.04Å; C10-A12 VanDerWaalsContact O-N 3.13Å; C10-A12 PolarHBondContact SG-N 3.11Å; C10-C13 WeakPolarHBondContact CB-SG 3.33Å; C10-E14 WeakPolarHBondContact O-CA 3.24Å; C10-E14 PolarHBondContact O-N 3.42Å; C10-K15 VanDerWaalsContact CB-O 3.32Å; C10-K15 WeakPolarHBondContact CB-O 3.37Å; C10-K15 PolarHBondContact N-O 3.06Å; C10-V17 HydrophobicContact CB-CG2 3.53Å; C10-S29 CarbonylContact C-O 3.6Å; C10-S29 VanDerWaalsContact CA-O 3.25Å; C10-S29 WeakPolarHBondContact CA-O 3.38Å; C10-H31 VanDerWaalsContact CB-CE1 3.46Å; C10-H31 WeakPolarHBondContact CB-CE1 3.42Å; C10-H31 WeakPolarHBondContact CB-ND1 3.15Å; C10-H31 PolarHBondContact SG-ND1 3.4Å
11	G	79.9	Confident	74.9	Confident	36 Å²	36	106.4 Å²	106.4	37%	0.371	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	-14.6	176.9	0	0	0	0	0	114.9	K9 S29	K9-G11 PolarHBondContact O-N 3.47Å; G11-S29 PolarHBondContact N-O 2.89Å
12	A	81.5	Confident	76.4	Confident	61 Å²	61	97.1 Å²	97.1	50%	0.504	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-30	-176.3	0	0	0	0	0	114.4	C10 F30 C34	C10-A12 PolarHBondContact O-N 3.04Å; C10-A12 VanDerWaalsContact O-N 3.13Å; C10-A12 PolarHBondContact SG-N 3.11Å; A12-F30 HydrophobicContact CB-CD1 3.92Å; A12-F30 HydrophobicContact CB-CE1 4.16Å; A12-C34 HydrophobicContact CB-CB 3.97Å
13	C	84.8	Confident	77.8	Confident	41 Å²	41	93.1 Å²	93.1	28%	0.277	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	1.6	-178.7	74.8	0	0	0	0	114	C10 K15 H31 C34	C10-C13 WeakPolarHBondContact CB-SG 3.33Å; C13-K15 PolarHBondContact O-N 3.47Å; C13-H31 PolarHBondContact SG-CE1 2.83Å; C13-H31 PolarHBondContact SG-ND1 2.87Å; C13-C34 VanDerWaalsContact SG-SG 3.69Å
14	E	80.6	Confident	79.1	Confident	168 Å²	168	91.6 Å²	91.6	79%	0.785	51%	0.508	S	S	*	.			trans	60.4	-3.5	177.6	-56.5	-175.2	152.7	0	0	116.2	C10	C10-E14 WeakPolarHBondContact O-CA 3.24Å; C10-E14 PolarHBondContact O-N 3.42Å
15	K	85.8	Confident	80	Confident	146 Å²	146	80.3 Å²	80.3	64%	0.635	47%	0.468	S	S	*	.	S	Bend	trans	-71.1	152.2	173.9	-62.1	170	-171.4	179.7	0	110.6	C10 C13 V17	C10-K15 VanDerWaalsContact CB-O 3.32Å; C10-K15 WeakPolarHBondContact CB-O 3.37Å; C10-K15 PolarHBondContact N-O 3.06Å; C13-K15 PolarHBondContact O-N 3.47Å; K15-V17 PolarHBondContact O-N 2.77Å
16	T	86.7	Confident	80.8	Confident	73 Å²	73	81.5 Å²	81.5	45%	0.448	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	130.5	173.1	51.3	0	0	0	0	110.2	H31	T16-H31 PolarHBondContact O-NE2 3.42Å
17	V	86.3	Confident	81.3	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.012	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.5	172.4	-163.5	0	0	0	0	107.2	T8 C10 K15 E22	T8-V17 PolarHBondContact O-N 3.14Å; C10-V17 HydrophobicContact CB-CG2 3.53Å; K15-V17 PolarHBondContact O-N 2.77Å; V17-E22 HydrophobicContact CB-CB 4.27Å; V17-E22 VanDerWaalsContact CG1-CA 3.46Å; V17-E22 HydrophobicContact CG1-CB 3.46Å; V17-E22 VanDerWaalsContact CG1-CB 3.46Å
18	Y	83.8	Confident	81.7	Confident	166 Å²	166	88 Å²	88	65%	0.651	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-82.7	149.4	172.8	-65.7	-80.3	0	0	0	109.6	A20 E21 E22	Y18-A20 PolarHBondContact O-N 3.47Å; Y18-E21 PolarHBondContact O-N 3.03Å; Y18-E22 PolarHBondContact O-N 3.03Å; Y18-E22 VanDerWaalsContact O-N 3.15Å
19	H	77.1	Confident	81.9	Confident	163 Å²	163	85.2 Å²	85.2	76%	0.755	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-26	-176.8	-135.3	-45.8	0	0	0	113.9	E22	H19-E22 IonicContact CE1-OE1 3.78Å; H19-E22 PolarHBondContact CE1-OE1 3.41Å; H19-E22 IonicContact CG-OE1 3.09Å; H19-E22 IonicContact ND1-OE1 3.03Å; H19-E22 PolarHBondContact ND1-OE1 2.07Å; H19-E22 VanDerWaalsContact ND1-OE1 3.09Å; H19-E22 IonicContact NE2-OE1 3.62Å
20	A	80.1	Confident	81.9	Confident	89 Å²	89	78.1 Å²	78.1	74%	0.736	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.3	178.2	0	0	0	0	0	114.4	Y18	Y18-A20 PolarHBondContact O-N 3.47Å
21	E	77.6	Confident	81.9	Confident	107 Å²	107	79.2 Å²	79.2	50%	0.5	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	5.8	-175.5	-62.3	-163.7	136.9	0	0	113.3	Y18 K32	Y18-E21 PolarHBondContact O-N 3.03Å; E21-K32 PolarHBondContact O-N 3.32Å
22	E	83.3	Confident	82.1	Confident	31 Å²	31	84.1 Å²	84.1	15%	0.145	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134	-179.5	74.3	169.3	-179.7	0	0	112.8	T8 V17 Y18 H19 Q24 S29	T8-E22 PolarHBondContact OG1-OE2 2.78Å; V17-E22 HydrophobicContact CB-CB 4.27Å; V17-E22 VanDerWaalsContact CG1-CA 3.46Å; V17-E22 HydrophobicContact CG1-CB 3.46Å; V17-E22 VanDerWaalsContact CG1-CB 3.46Å; Y18-E22 PolarHBondContact O-N 3.03Å; Y18-E22 VanDerWaalsContact O-N 3.15Å; H19-E22 IonicContact CE1-OE1 3.78Å; H19-E22 PolarHBondContact CE1-OE1 3.41Å; H19-E22 IonicContact CG-OE1 3.09Å; H19-E22 IonicContact ND1-OE1 3.03Å; H19-E22 PolarHBondContact ND1-OE1 2.07Å; H19-E22 VanDerWaalsContact ND1-OE1 3.09Å; H19-E22 IonicContact NE2-OE1 3.62Å; E22-Q24 PolarHBondContact OE1-NE2 2.92Å; E22-S29 PolarHBondContact OE2-OG 3.34Å
23	I	83.8	Confident	82.3	Confident	29 Å²	29	87 Å²	87	15%	0.149	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.8	163.7	-60.7	-177.6	0	0	0	106.2	S29 F30 K32 F35	I23-S29 CarbonylContact O-C 3.57Å; I23-S29 WeakPolarHBondContact O-CA 3.3Å; I23-F30 PolarHBondContact N-O 3.2Å; I23-F30 PolarHBondContact O-N 2.99Å; I23-K32 HydrophobicContact CD1-CB 4.32Å; I23-K32 HydrophobicContact CD1-CG 3.94Å; I23-K32 HydrophobicContact CG1-CG 4.08Å; I23-F35 HydrophobicContact CD1-CB 3.85Å; I23-F35 HydrophobicContact CD1-CD1 3.9Å; I23-F35 HydrophobicContact CD1-CG 3.92Å; I23-F35 HydrophobicContact CG2-CD1 4.27Å; I23-F35 HydrophobicContact CG2-CD2 3.94Å; I23-F35 HydrophobicContact CG2-CE1 4.28Å; I23-F35 HydrophobicContact CG2-CE2 3.92Å; I23-F35 HydrophobicContact CG2-CG 4.13Å; I23-F35 HydrophobicContact CG2-CZ 4.09Å
24	Q	82.5	Confident	82.3	Confident	138 Å²	138	86.2 Å²	86.2	65%	0.645	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.3	175.9	-64.8	179.8	-15.2	0	0	109.3	E22 R28	E22-Q24 PolarHBondContact OE1-NE2 2.92Å; Q24-R28 WeakPolarHBondContact CA-O 3.31Å
25	C	77.4	Confident	82.5	Confident	14 Å²	14	78.2 Å²	78.2	10%	0.095	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	123.2	175.5	-168.6	0	0	0	0	109.4	S27 R28 F30 F35 I56	C25-S27 VanDerWaalsContact C-N 3.34Å; C25-S27 PolarHBondContact O-N 3.03Å; C25-R28 PolarHBondContact N-O 3.49Å; C25-R28 PolarHBondContact O-N 2.89Å; C25-F30 HydrophobicContact CB-CD2 4.18Å; C25-F30 HydrophobicContact CB-CE2 4.06Å; C25-F35 HydrophobicContact CB-CE2 3.81Å; C25-F35 HydrophobicContact CB-CZ 4.47Å; C25-I56 HydrophobicContact CB-CG2 4.28Å
26	N	74.5	Confident	82.6	Confident	93 Å²	93	74.3 Å²	74.3	50%	0.497	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	50.3	177.1	-157.8	39.9	0	0	0	113.3	R28 A51	N26-R28 PolarHBondContact O-N 2.87Å; N26-A51 HydrophobicContact CB-CB 3.89Å
27	S	75.6	Confident	82.6	Confident	134 Å²	134	70.9 Å²	70.9	94%	0.937	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	18.2	-179.9	-50.7	0	0	0	0	115.7	C25	C25-S27 VanDerWaalsContact C-N 3.34Å; C25-S27 PolarHBondContact O-N 3.03Å
28	R	79.9	Confident	82.5	Confident	127 Å²	127	76.8 Å²	76.8	48%	0.479	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.8	172.1	-63.4	-175.8	178.9	-146.5	1.7	110.6	Q24 C25 N26 F30	Q24-R28 WeakPolarHBondContact CA-O 3.31Å; C25-R28 PolarHBondContact N-O 3.49Å; C25-R28 PolarHBondContact O-N 2.89Å; N26-R28 PolarHBondContact O-N 2.87Å; R28-F30 HydrophobicContact CB-CE2 3.76Å; R28-F30 HydrophobicContact CB-CZ 4.05Å
29	S	86.3	Confident	82.6	Confident	10 Å²	10	71.9 Å²	71.9	7%	0.07	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.4	174.1	-61.8	0	0	0	0	110.2	T8 C10 G11 E22 I23	T8-S29 WeakPolarHBondContact OG1-CB 3.2Å; T8-S29 PolarHBondContact OG1-OG 3Å; C10-S29 CarbonylContact C-O 3.6Å; C10-S29 VanDerWaalsContact CA-O 3.25Å; C10-S29 WeakPolarHBondContact CA-O 3.38Å; G11-S29 PolarHBondContact N-O 2.89Å; E22-S29 PolarHBondContact OE2-OG 3.34Å; I23-S29 CarbonylContact O-C 3.57Å; I23-S29 WeakPolarHBondContact O-CA 3.3Å
30	F	86.9	Confident	83	Confident	12 Å²	12	67.1 Å²	67.1	5%	0.053	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.5	176.2	-61.5	-90	0	0	0	109.6	A12 I23 C25 R28 F35 I56	A12-F30 HydrophobicContact CB-CD1 3.92Å; A12-F30 HydrophobicContact CB-CE1 4.16Å; I23-F30 PolarHBondContact N-O 3.2Å; I23-F30 PolarHBondContact O-N 2.99Å; C25-F30 HydrophobicContact CB-CD2 4.18Å; C25-F30 HydrophobicContact CB-CE2 4.06Å; R28-F30 HydrophobicContact CB-CE2 3.76Å; R28-F30 HydrophobicContact CB-CZ 4.05Å; F30-F35 HydrophobicContact CB-CD2 4.24Å; F30-F35 HydrophobicContact CD2-CD2 4.39Å; F30-F35 HydrophobicContact CG-CD2 4.37Å; F30-I56 HydrophobicContact CE2-CG2 4.35Å; F30-I56 HydrophobicContact CZ-CG2 4.36Å
31	H	86.8	Confident	83.2	Confident	23 Å²	23	72.5 Å²	72.5	11%	0.106	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	152.5	166.2	-57.7	93.1	0	0	0	110.5	C10 C13 T16 T33 C34 F35	C10-H31 VanDerWaalsContact CB-CE1 3.46Å; C10-H31 WeakPolarHBondContact CB-CE1 3.42Å; C10-H31 WeakPolarHBondContact CB-ND1 3.15Å; C10-H31 PolarHBondContact SG-ND1 3.4Å; C13-H31 PolarHBondContact SG-CE1 2.83Å; C13-H31 PolarHBondContact SG-ND1 2.87Å; T16-H31 PolarHBondContact O-NE2 3.42Å; H31-T33 PolarHBondContact O-N 2.94Å; H31-T33 VanDerWaalsContact O-N 3.14Å; H31-C34 HydrophobicContact CB-CB 3.95Å; H31-C34 CarbonylContact O-C 3.54Å; H31-C34 PolarHBondContact O-N 2.95Å; H31-F35 PolarHBondContact O-N 2.89Å
32	K	83.8	Confident	83.6	Confident	140 Å²	140	74.3 Å²	74.3	61%	0.609	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-37.3	168.9	-70	-172.5	174.9	-176.8	0	113.5	E21 I23	E21-K32 PolarHBondContact O-N 3.32Å; I23-K32 HydrophobicContact CD1-CB 4.32Å; I23-K32 HydrophobicContact CD1-CG 3.94Å; I23-K32 HydrophobicContact CG1-CG 4.08Å
33	T	84.4	Confident	83.6	Confident	120 Å²	120	75.2 Å²	75.2	74%	0.736	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-26	178.9	52.7	0	0	0	0	113.4	H31	H31-T33 PolarHBondContact O-N 2.94Å; H31-T33 VanDerWaalsContact O-N 3.14Å
34	C	84.4	Confident	83.5	Confident	25 Å²	25	74.8 Å²	74.8	17%	0.169	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.4	-179.8	-62.9	0	0	0	0	112.8	A12 C13 H31 I36	A12-C34 HydrophobicContact CB-CB 3.97Å; C13-C34 VanDerWaalsContact SG-SG 3.69Å; H31-C34 HydrophobicContact CB-CB 3.95Å; H31-C34 CarbonylContact O-C 3.54Å; H31-C34 PolarHBondContact O-N 2.95Å; C34-I36 VanDerWaalsContact C-N 3.25Å; C34-I36 PolarHBondContact O-N 3.4Å
35	F	86.1	Confident	83.2	Confident	1 Å²	1	72 Å²	72	0%	0.004	38%	0.381	C	S	.	.			trans	-79.8	75.5	177	-164.6	-118	0	0	0	110.4	I23 C25 F30 H31 L44 V49 I56	I23-F35 HydrophobicContact CD1-CB 3.85Å; I23-F35 HydrophobicContact CD1-CD1 3.9Å; I23-F35 HydrophobicContact CD1-CG 3.92Å; I23-F35 HydrophobicContact CG2-CD1 4.27Å; I23-F35 HydrophobicContact CG2-CD2 3.94Å; I23-F35 HydrophobicContact CG2-CE1 4.28Å; I23-F35 HydrophobicContact CG2-CE2 3.92Å; I23-F35 HydrophobicContact CG2-CG 4.13Å; I23-F35 HydrophobicContact CG2-CZ 4.09Å; C25-F35 HydrophobicContact CB-CE2 3.81Å; C25-F35 HydrophobicContact CB-CZ 4.47Å; F30-F35 HydrophobicContact CB-CD2 4.24Å; F30-F35 HydrophobicContact CD2-CD2 4.39Å; F30-F35 HydrophobicContact CG-CD2 4.37Å; H31-F35 PolarHBondContact O-N 2.89Å; F35-L44 HydrophobicContact CD1-CB 3.58Å; F35-L44 VanDerWaalsContact CD1-O 3.22Å; F35-L44 WeakPolarHBondContact CD1-O 3.4Å; F35-L44 HydrophobicContact CE1-CB 3.43Å; F35-L44 VanDerWaalsContact CE1-CB 3.43Å; F35-L44 HydrophobicContact CG-CB 4.44Å; F35-L44 HydrophobicContact CZ-CB 4.23Å; F35-L44 PolarHBondContact O-N 3.49Å; F35-V49 HydrophobicContact CE1-CB 4.16Å; F35-V49 HydrophobicContact CE1-CG1 4.49Å; F35-V49 HydrophobicContact CE2-CG2 4.22Å; F35-V49 HydrophobicContact CZ-CB 3.63Å; F35-V49 HydrophobicContact CZ-CG1 3.79Å; F35-V49 HydrophobicContact CZ-CG2 3.66Å; F35-I56 HydrophobicContact CD2-CD1 3.67Å; F35-I56 HydrophobicContact CE2-CD1 3.96Å; F35-I56 HydrophobicContact CE2-CG2 4.29Å; F35-I56 HydrophobicContact CG-CD1 4.41Å
36	I	87.3	Confident	82.8	Confident	64 Å²	64	75.8 Å²	75.8	33%	0.328	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-120.7	146.5	-175.9	60.8	172.6	0	0	0	110.9	C34 M38 K42 I56	C34-I36 VanDerWaalsContact C-N 3.25Å; C34-I36 PolarHBondContact O-N 3.4Å; I36-M38 PolarHBondContact O-N 2.93Å; I36-K42 WeakPolarHBondContact CA-O 3.48Å; I36-I56 WeakPolarHBondContact O-CD1 3.38Å; I36-I56 VanDerWaalsContact O-CG1 3.31Å; I36-I56 WeakPolarHBondContact O-CG1 3.32Å
37	C	87.4	Confident	82.4	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	42%	0.42	C	S	.	.			trans	-67.3	132.2	174.7	175.9	0	0	0	0	111.7	S39 C40 R41 K42 L44 C58 C61	C37-S39 VanDerWaalsContact C-N 3.31Å; C37-S39 PolarHBondContact O-N 2.92Å; C37-S39 PolarHBondContact SG-N 2.92Å; C37-S39 VanDerWaalsContact SG-N 3.44Å; C37-C40 WeakPolarHBondContact CB-SG 3.38Å; C37-C40 PolarHBondContact SG-SG 2.83Å; C37-R41 WeakPolarHBondContact O-CA 3.48Å; C37-R41 PolarHBondContact O-N 3.07Å; C37-K42 PolarHBondContact N-O 3.03Å; C37-L44 HydrophobicContact CB-CD1 4.04Å; C37-L44 HydrophobicContact CB-CD2 4.17Å; C37-L44 HydrophobicContact CB-CG 4.15Å; C37-C58 HydrophobicContact CB-CB 4.1Å; C37-C58 PolarHBondContact SG-N 3.01Å; C37-C61 PolarHBondContact SG-SG 3Å
38	M	84	Confident	82.1	Confident	127 Å²	127	73.8 Å²	73.8	63%	0.626	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.1	178.9	-162.7	63.4	141.5	0	0	113.1	I36 I56 Y57	I36-M38 PolarHBondContact O-N 2.93Å; M38-I56 PolarHBondContact N-O 2.89Å; M38-Y57 HydrophobicContact CB-CD1 4.42Å; M38-Y57 HydrophobicContact CB-CE1 3.93Å
39	S	84.6	Confident	82.1	Confident	63 Å²	63	69.8 Å²	69.8	44%	0.441	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-34.7	-179	-56	0	0	0	0	114.9	C37 Y57	C37-S39 VanDerWaalsContact C-N 3.31Å; C37-S39 PolarHBondContact O-N 2.92Å; C37-S39 PolarHBondContact SG-N 2.92Å; C37-S39 VanDerWaalsContact SG-N 3.44Å; S39-Y57 VanDerWaalsContact OG-CD1 3.31Å; S39-Y57 WeakPolarHBondContact OG-CD1 3.39Å; S39-Y57 WeakPolarHBondContact OG-CE1 3.4Å
40	C	86.5	Confident	81.9	Confident	63 Å²	63	70.3 Å²	70.3	43%	0.426	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-2.1	-172.4	68.4	0	0	0	0	114.2	C37 K42	C37-C40 WeakPolarHBondContact CB-SG 3.38Å; C37-C40 PolarHBondContact SG-SG 2.83Å; C40-K42 PolarHBondContact O-N 3.37Å; C40-K42 VanDerWaalsContact SG-CB 3.57Å
41	R	84.8	Confident	81.5	Confident	201 Å²	201	71.6 Å²	71.6	76%	0.758	40%	0.402	S	S	*	.			trans	51.7	14.9	-176.3	-59.4	-154.6	-64.7	-122.6	2.6	115.5	C37	C37-R41 WeakPolarHBondContact O-CA 3.48Å; C37-R41 PolarHBondContact O-N 3.07Å
42	K	84.3	Confident	81	Confident	146 Å²	146	72.6 Å²	72.6	64%	0.635	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-69.6	134.1	173.6	-168.6	-173.9	175.3	-167.8	0	108.7	I36 C37 C40 L44	I36-K42 WeakPolarHBondContact CA-O 3.48Å; C37-K42 PolarHBondContact N-O 3.03Å; C40-K42 PolarHBondContact O-N 3.37Å; C40-K42 VanDerWaalsContact SG-CB 3.57Å; K42-L44 PolarHBondContact O-N 3.27Å
43	G	84.6	Confident	80.2	Confident	50 Å²	50	73.1 Å²	73.1	52%	0.515	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-55.8	126.5	167.8	0	0	0	0	0	109.9
44	L	81.6	Confident	79.4	Confident	20 Å²	20	70.3 Å²	70.3	11%	0.105	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-93.7	154.7	176.3	-63.9	177.8	0	0	0	109.1	F35 C37 K42 V49 C58	F35-L44 HydrophobicContact CD1-CB 3.58Å; F35-L44 VanDerWaalsContact CD1-O 3.22Å; F35-L44 WeakPolarHBondContact CD1-O 3.4Å; F35-L44 HydrophobicContact CE1-CB 3.43Å; F35-L44 VanDerWaalsContact CE1-CB 3.43Å; F35-L44 HydrophobicContact CG-CB 4.44Å; F35-L44 HydrophobicContact CZ-CB 4.23Å; F35-L44 PolarHBondContact O-N 3.49Å; C37-L44 HydrophobicContact CB-CD1 4.04Å; C37-L44 HydrophobicContact CB-CD2 4.17Å; C37-L44 HydrophobicContact CB-CG 4.15Å; K42-L44 PolarHBondContact O-N 3.27Å; L44-V49 HydrophobicContact CD1-CB 4.35Å; L44-V49 HydrophobicContact CD1-CG2 3.93Å; L44-C58 HydrophobicContact CD2-CB 3.58Å
45	D	75.6	Confident	79.1	Confident	78 Å²	78	72.4 Å²	72.4	42%	0.417	40%	0.404	S	S	.	.			trans	-106.3	153.8	168.9	50.5	-93.4	0	0	0	108.9	T47 T48	D45-T47 PolarHBondContact O-N 3.1Å; D45-T47 PolarHBondContact OD2-N 2.92Å; D45-T48 VanDerWaalsContact CG-OG1 3.26Å; D45-T48 PolarHBondContact O-N 3.48Å; D45-T48 PolarHBondContact OD1-OG1 3.13Å; D45-T48 VanDerWaalsContact OD1-OG1 3.13Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.44Å; D45-T48 PolarHBondContact OD2-N 3.22Å; D45-T48 PolarHBondContact OD2-OG1 2.67Å
46	S	68.6	Low	79	Confident	95 Å²	95	73.1 Å²	73.1	66%	0.664	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-14.9	-177.3	47	0	0	0	0	114.1
47	T	67.3	Low	79	Confident	121 Å²	121	70.7 Å²	70.7	74%	0.742	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-18.2	-171.6	-47.5	0	0	0	0	113.2	D45	D45-T47 PolarHBondContact O-N 3.1Å; D45-T47 PolarHBondContact OD2-N 2.92Å
48	T	68.6	Low	79	Confident	64 Å²	64	71.5 Å²	71.5	39%	0.393	40%	0.399	S	S	.	.	S	Bend	trans	-128.6	20.1	-172.2	64.5	0	0	0	0	115.3	D45 K59	D45-T48 VanDerWaalsContact CG-OG1 3.26Å; D45-T48 PolarHBondContact O-N 3.48Å; D45-T48 PolarHBondContact OD1-OG1 3.13Å; D45-T48 VanDerWaalsContact OD1-OG1 3.13Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.44Å; D45-T48 PolarHBondContact OD2-N 3.22Å; D45-T48 PolarHBondContact OD2-OG1 2.67Å; T48-K59 PolarHBondContact O-N 2.96Å
49	V	80.6	Confident	79	Confident	42 Å²	42	73 Å²	73	26%	0.255	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.9	174	62.6	0	0	0	0	111.9	F35 L44 I56	F35-V49 HydrophobicContact CE1-CB 4.16Å; F35-V49 HydrophobicContact CE1-CG1 4.49Å; F35-V49 HydrophobicContact CE2-CG2 4.22Å; F35-V49 HydrophobicContact CZ-CB 3.63Å; F35-V49 HydrophobicContact CZ-CG1 3.79Å; F35-V49 HydrophobicContact CZ-CG2 3.66Å; L44-V49 HydrophobicContact CD1-CB 4.35Å; L44-V49 HydrophobicContact CD1-CG2 3.93Å; V49-I56 HydrophobicContact CG2-CB 4.21Å; V49-I56 HydrophobicContact CG2-CG2 4.32Å
50	A	82.5	Confident	78.9	Confident	21 Å²	21	74 Å²	74	17%	0.174	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128	163.2	0	0	0	0	0	108.3	Y57 Y62	A50-Y57 PolarHBondContact N-O 2.9Å; A50-Y57 WeakPolarHBondContact O-CA 3.2Å; A50-Y57 WeakPolarHBondContact O-CB 3.46Å; A50-Y57 PolarHBondContact O-N 3.13Å; A50-Y57 VanDerWaalsContact O-O 3.09Å; A50-Y62 HydrophobicContact CB-CD1 4.04Å; A50-Y62 HydrophobicContact CB-CD2 3.59Å; A50-Y62 HydrophobicContact CB-CE2 4.22Å; A50-Y62 HydrophobicContact CB-CG 3.48Å; A50-Y62 VanDerWaalsContact CB-CG 3.48Å
51	A	77.5	Confident	78.9	Confident	40 Å²	40	71.6 Å²	71.6	33%	0.331	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.5	176.6	0	0	0	0	0	109.9	N26 E55	N26-A51 HydrophobicContact CB-CB 3.89Å; A51-E55 WeakPolarHBondContact CA-O 3.46Å
52	H	75.8	Confident	79	Confident	43 Å²	43	65.9 Å²	65.9	20%	0.199	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126	171.1	-163	-92.3	0	0	0	108.3	S54 E55 Y57 Y62 Y66	H52-S54 VanDerWaalsContact C-N 3.27Å; H52-S54 PolarHBondContact O-N 3.4Å; H52-E55 PolarHBondContact N-O 3.06Å; H52-E55 PolarHBondContact O-N 2.96Å; H52-Y57 HydrophobicContact CB-CD2 4.18Å; H52-Y57 HydrophobicContact CB-CE2 4.12Å; H52-Y62 HydrophobicContact CB-CD2 4.36Å; H52-Y62 HydrophobicContact CB-CE2 3.92Å; H52-Y62 AromaticContact CD2-CE2 3.93Å; H52-Y66 HydrophobicContact CB-CD2 4.31Å; H52-Y66 HydrophobicContact CB-CE2 3.83Å; H52-Y66 AromaticContact CD2-CD1 3.78Å; H52-Y66 AromaticContact CD2-CE1 3.86Å; H52-Y66 AromaticContact CD2-CG 3.95Å; H52-Y66 AromaticContact CE1-CD1 3.69Å; H52-Y66 AromaticContact CE1-CE1 3.23Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.23Å; H52-Y66 AromaticContact CE1-CZ 3.77Å; H52-Y66 AromaticContact CG-CE1 3.7Å; H52-Y66 AromaticContact CG-CE2 3.77Å; H52-Y66 AromaticContact CG-CZ 3.53Å; H52-Y66 AromaticContact ND1-CE1 3.3Å; H52-Y66 VanDerWaalsContact ND1-CE1 3.3Å; H52-Y66 WeakPolarHBondContact ND1-CE1 3.17Å; H52-Y66 AromaticContact ND1-CZ 3.31Å; H52-Y66 VanDerWaalsContact ND1-CZ 3.31Å; H52-Y66 PolarHBondContact ND1-OH 2.74Å; H52-Y66 AromaticContact NE2-CD1 3.53Å; H52-Y66 AromaticContact NE2-CE1 3.58Å
53	E	68.1	Low	79	Confident	151 Å²	151	59.7 Å²	59.7	71%	0.706	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	43.3	169.6	-65.9	173.2	152.3	0	0	115.2
54	S	68.2	Low	78.9	Confident	62 Å²	62	64.7 Å²	64.7	43%	0.434	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	5	-179	79	0	0	0	0	117.6	H52	H52-S54 VanDerWaalsContact C-N 3.27Å; H52-S54 PolarHBondContact O-N 3.4Å
55	E	77.9	Confident	78.8	Confident	69 Å²	69	69.9 Å²	69.9	32%	0.322	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.5	173.1	-61.8	-178.5	116.7	0	0	111.9	A51 H52 Y57	A51-E55 WeakPolarHBondContact CA-O 3.46Å; H52-E55 PolarHBondContact N-O 3.06Å; H52-E55 PolarHBondContact O-N 2.96Å; E55-Y57 HydrophobicContact CB-CD2 4.35Å; E55-Y57 HydrophobicContact CB-CE2 3.56Å; E55-Y57 VanDerWaalsContact CD-OH 3.32Å; E55-Y57 PolarHBondContact OE2-OH 3.31Å
56	I	84.3	Confident	79.2	Confident	15 Å²	15	70.1 Å²	70.1	8%	0.077	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.5	-180	55.8	167	0	0	0	111.4	C25 F30 F35 I36 M38 V49	C25-I56 HydrophobicContact CB-CG2 4.28Å; F30-I56 HydrophobicContact CE2-CG2 4.35Å; F30-I56 HydrophobicContact CZ-CG2 4.36Å; F35-I56 HydrophobicContact CD2-CD1 3.67Å; F35-I56 HydrophobicContact CE2-CD1 3.96Å; F35-I56 HydrophobicContact CE2-CG2 4.29Å; F35-I56 HydrophobicContact CG-CD1 4.41Å; I36-I56 WeakPolarHBondContact O-CD1 3.38Å; I36-I56 VanDerWaalsContact O-CG1 3.31Å; I36-I56 WeakPolarHBondContact O-CG1 3.32Å; M38-I56 PolarHBondContact N-O 2.89Å; V49-I56 HydrophobicContact CG2-CB 4.21Å; V49-I56 HydrophobicContact CG2-CG2 4.32Å
57	Y	86.5	Confident	79.6	Confident	14 Å²	14	66.1 Å²	66.1	6%	0.055	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.5	-177.9	-65.4	-75.9	0	0	0	111.9	M38 S39 A50 H52 E55 Y66	M38-Y57 HydrophobicContact CB-CD1 4.42Å; M38-Y57 HydrophobicContact CB-CE1 3.93Å; S39-Y57 VanDerWaalsContact OG-CD1 3.31Å; S39-Y57 WeakPolarHBondContact OG-CD1 3.39Å; S39-Y57 WeakPolarHBondContact OG-CE1 3.4Å; A50-Y57 PolarHBondContact N-O 2.9Å; A50-Y57 WeakPolarHBondContact O-CA 3.2Å; A50-Y57 WeakPolarHBondContact O-CB 3.46Å; A50-Y57 PolarHBondContact O-N 3.13Å; A50-Y57 VanDerWaalsContact O-O 3.09Å; H52-Y57 HydrophobicContact CB-CD2 4.18Å; H52-Y57 HydrophobicContact CB-CE2 4.12Å; E55-Y57 HydrophobicContact CB-CD2 4.35Å; E55-Y57 HydrophobicContact CB-CE2 3.56Å; E55-Y57 VanDerWaalsContact CD-OH 3.32Å; E55-Y57 PolarHBondContact OE2-OH 3.31Å; Y57-Y66 HydrophobicContact CD2-CE2 4.32Å; Y57-Y66 HydrophobicContact CE2-CE2 4.07Å
58	C	87.9	Confident	80	Confident	16 Å²	16	64.1 Å²	64.1	11%	0.108	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	145.7	167.4	90.5	0	0	0	0	110	C37 L44 S60 C61 Y62	C37-C58 HydrophobicContact CB-CB 4.1Å; C37-C58 PolarHBondContact SG-N 3.01Å; L44-C58 HydrophobicContact CD2-CB 3.58Å; C58-S60 PolarHBondContact O-N 2.99Å; C58-S60 VanDerWaalsContact O-N 3.12Å; C58-C61 HydrophobicContact CB-CB 4.12Å; C58-C61 WeakPolarHBondContact CB-SG 3.21Å; C58-C61 CarbonylContact O-C 3.56Å; C58-C61 WeakPolarHBondContact O-CA 3.41Å; C58-C61 WeakPolarHBondContact O-CB 3.33Å; C58-C61 PolarHBondContact O-N 2.97Å; C58-C61 WeakPolarHBondContact SG-CB 3.24Å; C58-C61 PolarHBondContact SG-N 3.03Å; C58-C61 CovalentContact SG-SG 2.08Å; C58-C61 PolarHBondContact SG-SG 2.81Å; C58-Y62 WeakPolarHBondContact O-CB 3.23Å; C58-Y62 PolarHBondContact O-N 3.46Å
59	K	82.8	Confident	79.7	Confident	159 Å²	159	69.7 Å²	69.7	69%	0.691	36%	0.356	S	S	*	.	H	α-helix	trans	-49.6	-41.2	176.9	-171.8	177.5	-175.2	177.1	0	113.3	T48 C61 G63	T48-K59 PolarHBondContact O-N 2.96Å; K59-C61 VanDerWaalsContact C-N 3.32Å; K59-C61 PolarHBondContact O-N 3.09Å; K59-G63 PolarHBondContact O-N 3.08Å
60	S	83.9	Confident	78.7	Confident	83 Å²	83	70.4 Å²	70.4	58%	0.58	37%	0.372	S	S	*	.	H	α-helix	trans	-68.3	-28.7	177.1	-49.3	0	0	0	0	113.6	C58 K64	C58-S60 PolarHBondContact O-N 2.99Å; C58-S60 VanDerWaalsContact O-N 3.12Å; S60-K64 WeakPolarHBondContact O-CD 3.37Å; S60-K64 VanDerWaalsContact O-CG 3.24Å; S60-K64 WeakPolarHBondContact O-CG 3.49Å
61	C	85.4	Confident	77.5	Confident	14 Å²	14	78.6 Å²	78.6	10%	0.095	40%	0.4	C	S	.	.	H	α-helix	trans	-81.2	-44.8	180	-51.9	0	0	0	0	109.4	C37 C58 K59 K64 K65	C37-C61 PolarHBondContact SG-SG 3Å; C58-C61 HydrophobicContact CB-CB 4.12Å; C58-C61 WeakPolarHBondContact CB-SG 3.21Å; C58-C61 CarbonylContact O-C 3.56Å; C58-C61 WeakPolarHBondContact O-CA 3.41Å; C58-C61 WeakPolarHBondContact O-CB 3.33Å; C58-C61 PolarHBondContact O-N 2.97Å; C58-C61 WeakPolarHBondContact SG-CB 3.24Å; C58-C61 PolarHBondContact SG-N 3.03Å; C58-C61 CovalentContact SG-SG 2.08Å; C58-C61 PolarHBondContact SG-SG 2.81Å; K59-C61 VanDerWaalsContact C-N 3.32Å; K59-C61 PolarHBondContact O-N 3.09Å; C61-K64 PolarHBondContact O-N 3.15Å; C61-K65 PolarHBondContact O-N 3.07Å; C61-K65 VanDerWaalsContact O-N 3.07Å
62	Y	86.6	Confident	76.4	Confident	80 Å²	80	79.4 Å²	79.4	31%	0.314	41%	0.412	S	S	.	.	H	α-helix	trans	-57.8	-48.3	174.9	-175.1	-90.1	0	0	0	111.4	A50 H52 C58 K64 K65 Y66 G67	A50-Y62 HydrophobicContact CB-CD1 4.04Å; A50-Y62 HydrophobicContact CB-CD2 3.59Å; A50-Y62 HydrophobicContact CB-CE2 4.22Å; A50-Y62 HydrophobicContact CB-CG 3.48Å; A50-Y62 VanDerWaalsContact CB-CG 3.48Å; H52-Y62 HydrophobicContact CB-CD2 4.36Å; H52-Y62 HydrophobicContact CB-CE2 3.92Å; H52-Y62 AromaticContact CD2-CE2 3.93Å; C58-Y62 WeakPolarHBondContact O-CB 3.23Å; C58-Y62 PolarHBondContact O-N 3.46Å; Y62-K64 VanDerWaalsContact C-N 3.28Å; Y62-K64 PolarHBondContact O-N 2.79Å; Y62-K65 PolarHBondContact O-N 3.36Å; Y62-Y66 AromaticContact CD2-CD2 3.77Å; Y62-Y66 HydrophobicContact CD2-CD2 3.77Å; Y62-Y66 HydrophobicContact CD2-CE2 4.45Å; Y62-Y66 AromaticContact CE2-CD2 3.94Å; Y62-Y66 HydrophobicContact CE2-CD2 3.94Å; Y62-Y66 HydrophobicContact CE2-CG 4.34Å; Y62-Y66 HydrophobicContact CG-CD2 4.34Å; Y62-Y66 PolarHBondContact O-N 3.14Å; Y62-G67 PolarHBondContact O-N 2.9Å
63	G	84.5	Confident	75.5	Confident	16 Å²	16	85.8 Å²	85.8	17%	0.165	44%	0.436	C	S	.	.	H	α-helix	trans	-62.3	-30.4	176.5	0	0	0	0	0	114.3	K59 G67	K59-G63 PolarHBondContact O-N 3.08Å; G63-G67 WeakPolarHBondContact O-CA 3.41Å; G63-G67 PolarHBondContact O-N 3.46Å; G63-G67 VanDerWaalsContact O-N 3.09Å
64	K	82.2	Confident	74.8	Confident	155 Å²	155	81 Å²	81	67%	0.674	43%	0.426	S	S	*	.	H	α-helix	trans	-75.2	-32.6	176	-73.1	171.2	-171.7	179.9	0	113.2	S60 C61 Y62	S60-K64 WeakPolarHBondContact O-CD 3.37Å; S60-K64 VanDerWaalsContact O-CG 3.24Å; S60-K64 WeakPolarHBondContact O-CG 3.49Å; C61-K64 PolarHBondContact O-N 3.15Å; Y62-K64 VanDerWaalsContact C-N 3.28Å; Y62-K64 PolarHBondContact O-N 2.79Å
65	K	79.9	Confident	74.2	Confident	129 Å²	129	88.1 Å²	88.1	56%	0.561	45%	0.453	S	S	*	.	H	α-helix	trans	-91.2	-43	-175.3	-72.7	-69.1	-128.9	170.8	0	112.5	C61 Y62	C61-K65 PolarHBondContact O-N 3.07Å; C61-K65 VanDerWaalsContact O-N 3.07Å; Y62-K65 PolarHBondContact O-N 3.36Å
66	Y	83.2	Confident	73.1	Confident	84 Å²	84	87.6 Å²	87.6	33%	0.329	47%	0.466	S	S	.	.	H	α-helix	trans	-123.7	-4.6	-171.4	-53.9	-77.4	0	0	0	113.7	H52 Y57 Y62	H52-Y66 HydrophobicContact CB-CD2 4.31Å; H52-Y66 HydrophobicContact CB-CE2 3.83Å; H52-Y66 AromaticContact CD2-CD1 3.78Å; H52-Y66 AromaticContact CD2-CE1 3.86Å; H52-Y66 AromaticContact CD2-CG 3.95Å; H52-Y66 AromaticContact CE1-CD1 3.69Å; H52-Y66 AromaticContact CE1-CE1 3.23Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.23Å; H52-Y66 AromaticContact CE1-CZ 3.77Å; H52-Y66 AromaticContact CG-CE1 3.7Å; H52-Y66 AromaticContact CG-CE2 3.77Å; H52-Y66 AromaticContact CG-CZ 3.53Å; H52-Y66 AromaticContact ND1-CE1 3.3Å; H52-Y66 VanDerWaalsContact ND1-CE1 3.3Å; H52-Y66 WeakPolarHBondContact ND1-CE1 3.17Å; H52-Y66 AromaticContact ND1-CZ 3.31Å; H52-Y66 VanDerWaalsContact ND1-CZ 3.31Å; H52-Y66 PolarHBondContact ND1-OH 2.74Å; H52-Y66 AromaticContact NE2-CD1 3.53Å; H52-Y66 AromaticContact NE2-CE1 3.58Å; Y57-Y66 HydrophobicContact CD2-CE2 4.32Å; Y57-Y66 HydrophobicContact CE2-CE2 4.07Å; Y62-Y66 AromaticContact CD2-CD2 3.77Å; Y62-Y66 HydrophobicContact CD2-CD2 3.77Å; Y62-Y66 HydrophobicContact CD2-CE2 4.45Å; Y62-Y66 AromaticContact CE2-CD2 3.94Å; Y62-Y66 HydrophobicContact CE2-CD2 3.94Å; Y62-Y66 HydrophobicContact CE2-CG 4.34Å; Y62-Y66 HydrophobicContact CG-CD2 4.34Å; Y62-Y66 PolarHBondContact O-N 3.14Å
67	G	77.3	Confident	71.3	Confident	10 Å²	10	92.6 Å²	92.6	10%	0.103	51%	0.509	C	S	.	.	S	Bend	trans	-66	155.3	169.2	0	0	0	0	0	110.6	Y62 G63 K69	Y62-G67 PolarHBondContact O-N 2.9Å; G63-G67 WeakPolarHBondContact O-CA 3.41Å; G63-G67 PolarHBondContact O-N 3.46Å; G63-G67 VanDerWaalsContact O-N 3.09Å; G67-K69 PolarHBondContact O-N 3.18Å
68	P	75.8	Confident	70	Confident	79 Å²	79	95.5 Å²	95.5	51%	0.513	54%	0.543	S	S	.	.			trans	-46.6	106.6	178.8	16.5	-33.5	0	0	0	111.4	G70 Y71 Y73	P68-G70 VanDerWaalsContact C-N 3.35Å; P68-G70 PolarHBondContact O-N 3.31Å; P68-Y71 PolarHBondContact O-N 3.13Å; P68-Y73 HydrophobicContact CG-CE2 3.81Å
69	K	63.1	Low	68.1	Low	181 Å²	181	98.9 Å²	98.9	79%	0.787	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	90.8	178.9	-156.1	92.5	175.6	-176.6	0	106.9	G67	G67-K69 PolarHBondContact O-N 3.18Å
70	G	59.9	Low	66.9	Low	58 Å²	58	99.7 Å²	99.7	60%	0.598	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	129.2	1.5	-178.8	0	0	0	0	0	116	P68	P68-G70 VanDerWaalsContact C-N 3.35Å; P68-G70 PolarHBondContact O-N 3.31Å
71	Y	56.9	Low	65.4	Low	193 Å²	193	100.9 Å²	100.9	76%	0.757	59%	0.592	S	S	*	*	S	Bend	trans	-120.9	113.3	163.8	-162.4	-95.3	0	0	0	108.8	P68 Y73	P68-Y71 PolarHBondContact O-N 3.13Å; Y71-Y73 PolarHBondContact O-N 2.9Å; Y71-Y73 VanDerWaalsContact O-N 3.16Å
72	G	54.8	Low	63.7	Low	57 Å²	57	104.7 Å²	104.7	59%	0.588	62%	0.619	S	S	*	*			trans	-48.3	116.3	-166.3	0	0	0	0	0	114.2	G74	G72-G74 PolarHBondContact O-N 3.33Å
73	Y	57.1	Low	61.9	Low	177 Å²	177	108 Å²	108	69%	0.694	64%	0.642	S	S	*	*			trans	-77.2	57.3	158.2	-89.5	-94	0	0	0	109.7	P68 Y71	P68-Y73 HydrophobicContact CG-CE2 3.81Å; Y71-Y73 PolarHBondContact O-N 2.9Å; Y71-Y73 VanDerWaalsContact O-N 3.16Å
74	G	53.5	Low	60.5	Low	49 Å²	49	113.2 Å²	113.2	51%	0.505	67%	0.673	S	S	.	*			trans	-105.5	113.3	161.2	0	0	0	0	0	107.2	G72 G76	G72-G74 PolarHBondContact O-N 3.33Å; G74-G76 PolarHBondContact O-N 2.75Å
75	Q	54.8	Low	58.8	Low	213 Å²	213	114.5 Å²	114.5	100%	0.995	69%	0.686	S	S	*	*	S	Bend	trans	-65	90.9	156	-85.8	-176.1	-13.2	0	0	106.8
76	G	54.8	Low	57.1	Low	58 Å²	58	111.9 Å²	111.9	60%	0.598	70%	0.696	S	S	*	*	S	Bend	trans	151.2	135.9	177.1	0	0	0	0	0	113.2	G74 G78	G74-G76 PolarHBondContact O-N 2.75Å; G76-G78 PolarHBondContact O-N 2.96Å
77	A	46.5	Very low	55	Low	119 Å²	119	116.9 Å²	116.9	98%	0.983	72%	0.722	S	S	*	*	S	Bend	trans	-64.9	99.6	174.3	0	0	0	0	0	110.1
78	G	59.3	Low	53.2	Low	75 Å²	75	123.2 Å²	123.2	77%	0.773	75%	0.754	S	S	*	*			trans	138.9	81.7	169.6	0	0	0	0	0	114.1	G76	G76-G78 PolarHBondContact O-N 2.96Å
79	A	47.6	Very low	51.2	Low	87 Å²	87	123.1 Å²	123.1	72%	0.719	77%	0.767	S	S	*	*			trans	-164.9	88.7	151.6	0	0	0	0	0	109.4
80	L	56.9	Low	50	Low	177 Å²	177	123.4 Å²	123.4	93%	0.927	77%	0.771	S	S	*	*			trans	-75.3	113.7	155	-66.9	163.4	0	0	0	106.5
81	S	53.7	Low	49.7	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	77%	0.772	S	S	*	*			trans	-163.9	100.6	154.1	-69.8	0	0	0	0	107
82	S	49.8	Very low	48.7	Very low	94 Å²	94	125.7 Å²	125.7	66%	0.657	78%	0.781	S	S	*	*			trans	-105.6	107.6	164.9	-59.4	0	0	0	0	106
83	D	48.5	Very low	48	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-92	124.4	164.4	-65.3	-76.1	0	0	0	108.3
84	P	54.1	Low	47	Very low	125 Å²	125	128.4 Å²	128.4	81%	0.812	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.2	162.2	178.4	31.2	-32.7	0	0	0	113
85	L	48.3	Very low	46.1	Very low	182 Å²	182	132.9 Å²	132.9	95%	0.953	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78.9	153.4	-177.3	-83.5	116.3	0	0	0	115.2
86	G	43	Very low	45.8	Very low	74 Å²	74	126.6 Å²	126.6	76%	0.763	78%	0.78	S	S	*	*			trans	128.3	124.8	161	0	0	0	0	0	111
87	Q	38.9	Very low	45.1	Very low	188 Å²	188	133.2 Å²	133.2	88%	0.879	79%	0.793	S	S	*	*			cis	-159.3	169.7	40.1	-101.3	171.3	-33	0	0	111.6
88	D	40.6	Very low	44.8	Very low	144 Å²	144	133.2 Å²	133.2	77%	0.77	78%	0.783	S	S	*	*			trans	-46.8	155.7	176.9	53.3	-78	0	0	0	118.4
89	G	33.1	Very low	44.3	Very low	76 Å²	76	140 Å²	140	78%	0.784	79%	0.785	S	S	*	*			trans	151	122.2	168.3	0	0	0	0	0	113.6
90	E	37.2	Very low	44.1	Very low	188 Å²	188	143.2 Å²	143.2	88%	0.879	79%	0.785	S	S	*	*			trans	-77.3	-169.1	-167.9	-137.6	-157.4	112.1	0	0	114.5
91	P	54.7	Low	43.2	Very low	97 Å²	97	138.7 Å²	138.7	63%	0.63	77%	0.773	S	S	*	*				-105	150.7	-123.2	36.5	-18.8	0	0	0	114.5
92	Q	34.8	Very low	43	Very low	202 Å²	202	139.1 Å²	139.1	94%	0.944	78%	0.776	S	S	*	*			trans	-122.6	106.6	161.2	-95.4	-162.1	-77	0	0	113.7
93	L	41	Very low	43.5	Very low	132 Å²	132	140.3 Å²	140.3	69%	0.691	78%	0.782	S	S	*	*			trans	-67.7	140.1	166.5	-164.9	79.3	0	0	0	110.7
94	Q	36.8	Very low	43.7	Very low	159 Å²	159	140.2 Å²	140.2	74%	0.743	78%	0.781	S	S	*	*			trans	58.6	128.7	154.6	-70.9	151.5	-2	0	0	118.8
95	N	34.4	Very low	43.9	Very low	143 Å²	143	138.5 Å²	138.5	77%	0.765	77%	0.77	S	S	*	*				169.2	119.5	92.4	-163.5	27.1	0	0	0	111.9
96	S	47.7	Very low	43.6	Very low	81 Å²	81	139.7 Å²	139.7	57%	0.566	77%	0.768	S	S	*	*			trans	20.8	127.8	139.6	-33.9	0	0	0	0	123.3
97	K	39.8	Very low	44.2	Very low	197 Å²	197	141.1 Å²	141.1	86%	0.857	77%	0.772	S	S	*	*			trans	83.5	160.8	145.1	-66.2	129.9	90.2	-178.4	0	118.6
98	P	41.3	Very low	44.8	Very low	119 Å²	119	137.4 Å²	137.4	77%	0.773	77%	0.767	S	S	*	*			cis	-129.4	174.4	-39.9	34.6	-16.3	0	0	0	113.5
99	R	47.9	Very low	45	Very low	216 Å²	216	140 Å²	140	82%	0.815	77%	0.771	S	S	*	*			trans	-30.2	148	154.1	-108.9	-174.3	-154.8	-107.2	0.9	113.5
100	Q	43.8	Very low	45.9	Very low	156 Å²	156	144.3 Å²	144.3	73%	0.729	77%	0.769	S	S	*	*			cis	-172.1	162.5	40.5	-77.6	-139.2	10.4	0	0	113
101	A	38.5	Very low	46.5	Very low	81 Å²	81	140 Å²	140	67%	0.669	76%	0.759	S	S	*	*			trans	65.9	114.3	136.2	0	0	0	0	0	123
102	S	48.5	Very low	46.8	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	76%	0.757	S	S	*	*				36.7	160.2	122	-66.8	0	0	0	0	121.7
103	P	60.8	Low	47.4	Very low	119 Å²	119	140.4 Å²	140.4	77%	0.773	75%	0.75	S	S	*	*			cis	-143.9	172.9	20.1	41.4	-21.4	0	0	0	118.3
104	N	53.4	Low	47.9	Very low	148 Å²	148	143.5 Å²	143.5	79%	0.791	76%	0.758	S	S	*	*			trans	91	168.4	139.2	-131.9	30.8	0	0	0	120
105	P	57.8	Low	48.7	Very low	90 Å²	90	138.5 Å²	138.5	58%	0.584	75%	0.749	S	S	*	*				-120	150.8	-88.3	35.2	-21.3	0	0	0	110.6
106	K	42.5	Very low	49.9	Very low	207 Å²	207	135.3 Å²	135.3	90%	0.9	75%	0.751	S	S	*	*			trans	-148	124.1	140.4	-78.9	-143.8	-176.1	-168.9	0	111
107	A	55.8	Low	51	Low	104 Å²	104	134.6 Å²	134.6	86%	0.86	75%	0.745	S	S	*	*			trans	-55.9	133.3	168.7	0	0	0	0	0	110.7
108	S	50.6	Low	53	Low	110 Å²	110	127.9 Å²	127.9	77%	0.769	72%	0.719	S	S	*	*			trans	-146.3	102.7	160.2	39.1	0	0	0	0	109.9
109	K	44.3	Very low	55	Low	197 Å²	197	130.6 Å²	130.6	86%	0.857	71%	0.714	S	S	*	*			trans	55.3	94.7	138	-96.6	157.7	168.2	166.4	0	116.6	S111	K109-S111 PolarHBondContact O-N 2.82Å
110	F	51.7	Low	56.9	Low	167 Å²	167	120.3 Å²	120.3	73%	0.732	68%	0.675	S	S	*	*				13.5	84.6	122.8	-161.7	-94.6	0	0	0	114.9	Q112	F110-Q112 HydrophobicContact CD2-CG 4.03Å; F110-Q112 HydrophobicContact CE1-CB 4.48Å; F110-Q112 HydrophobicContact CE1-CG 4.23Å; F110-Q112 HydrophobicContact CE2-CG 3.58Å; F110-Q112 HydrophobicContact CZ-CB 4.32Å; F110-Q112 HydrophobicContact CZ-CG 3.71Å
111	S	50.9	Low	58.7	Low	97 Å²	97	116 Å²	116	68%	0.678	66%	0.66	S	S	*	*			trans	-118	85	152.2	-166.5	0	0	0	0	105.9	K109 K113	K109-S111 PolarHBondContact O-N 2.82Å; S111-K113 PolarHBondContact O-N 3.3Å
112	Q	61.3	Low	60.8	Low	126 Å²	126	115.3 Å²	115.3	59%	0.589	64%	0.64	S	S	*	*			trans	-69.1	79.1	166.6	-73.1	-172.3	-29.2	0	0	108	F110 F114	F110-Q112 HydrophobicContact CD2-CG 4.03Å; F110-Q112 HydrophobicContact CE1-CB 4.48Å; F110-Q112 HydrophobicContact CE1-CG 4.23Å; F110-Q112 HydrophobicContact CE2-CG 3.58Å; F110-Q112 HydrophobicContact CZ-CB 4.32Å; F110-Q112 HydrophobicContact CZ-CG 3.71Å; Q112-F114 HydrophobicContact CB-CE2 4.41Å; Q112-F114 PolarHBondContact O-N 3.16Å
113	K	47.2	Very low	62.6	Low	183 Å²	183	111.6 Å²	111.6	80%	0.796	61%	0.614	S	S	*	*			trans	-78.7	107.7	158	-81.2	-175.2	162.5	-174.3	0	106.5	S111 G115	S111-K113 PolarHBondContact O-N 3.3Å; K113-G115 PolarHBondContact O-N 2.69Å
114	F	50.1	Low	63.6	Low	197 Å²	197	110.4 Å²	110.4	86%	0.864	61%	0.609	S	S	*	*			trans	-64.3	60.1	170.5	-86.7	-99.8	0	0	0	111.5	Q112	Q112-F114 HydrophobicContact CB-CE2 4.41Å; Q112-F114 PolarHBondContact O-N 3.16Å
115	G	55.2	Low	65	Low	53 Å²	53	110.2 Å²	110.2	55%	0.546	60%	0.601	S	S	.	*			trans	-116.1	87.9	160.9	0	0	0	0	0	105.8	K113 S117	K113-G115 PolarHBondContact O-N 2.69Å; G115-S117 PolarHBondContact O-N 2.76Å
116	G	59.3	Low	66.4	Low	77 Å²	77	107.6 Å²	107.6	79%	0.794	59%	0.586	S	S	*	*			trans	-61.1	80.2	-178.7	0	0	0	0	0	110.7	D118	G116-D118 VanDerWaalsContact C-N 3.29Å; G116-D118 PolarHBondContact O-N 3.39Å
117	S	69.3	Low	68.5	Low	65 Å²	65	98.2 Å²	98.2	46%	0.455	55%	0.547	S	S	.	.			trans	-70	96.9	167.2	40.6	0	0	0	0	106	G115 R119	G115-S117 PolarHBondContact O-N 2.76Å; S117-R119 WeakPolarHBondContact O-CG 3.41Å; S117-R119 PolarHBondContact O-N 2.86Å; S117-R119 VanDerWaalsContact O-N 3.16Å
118	D	81.8	Confident	69.8	Low	57 Å²	57	101.4 Å²	101.4	31%	0.305	54%	0.538	S	S	.	.			trans	-40.5	117.6	166.5	-85.8	-44.9	0	0	0	109.8	G116 V127 K132 A139	G116-D118 VanDerWaalsContact C-N 3.29Å; G116-D118 PolarHBondContact O-N 3.39Å; D118-V127 HydrophobicContact CB-CB 4.36Å; D118-V127 WeakPolarHBondContact O-CB 3.47Å; D118-V127 PolarHBondContact O-N 2.79Å; D118-K132 VanDerWaalsContact OD2-CE 3.23Å; D118-K132 WeakPolarHBondContact OD2-CE 3.14Å; D118-K132 IonicContact OD2-NZ 2.67Å; D118-K132 PolarHBondContact OD2-NZ 2.96Å; D118-A139 HydrophobicContact CB-CB 3.37Å
119	R	85.2	Confident	71.3	Confident	176 Å²	176	100.8 Å²	100.8	66%	0.664	54%	0.539	S	S	*	.	B	Isolated β-bridge	trans	-109.6	135.3	-177.9	-57.3	-168.7	179.8	-174.4	-1.8	110.2	S117 P121	S117-R119 WeakPolarHBondContact O-CG 3.41Å; S117-R119 PolarHBondContact O-N 2.86Å; S117-R119 VanDerWaalsContact O-N 3.16Å; R119-P121 WeakPolarHBondContact O-CD 3.37Å
120	C	86.9	Confident	73	Confident	0 Å²	0	95 Å²	95	0%	0	53%	0.528	C	S	.	.			trans	-74.3	125.2	175.6	-178.3	0	0	0	0	109.8	R122 S124 K125 V127 A139 H141 C144	C120-R122 PolarHBondContact O-N 3.23Å; C120-S124 WeakPolarHBondContact O-CA 3.48Å; C120-S124 PolarHBondContact O-N 3.19Å; C120-K125 PolarHBondContact N-O 3.17Å; C120-V127 HydrophobicContact CB-CG2 3.62Å; C120-A139 WeakPolarHBondContact CA-O 3.38Å; C120-H141 VanDerWaalsContact CB-CE1 3.46Å; C120-H141 WeakPolarHBondContact CB-CE1 3.5Å; C120-H141 WeakPolarHBondContact CB-ND1 3.42Å; C120-C144 VanDerWaalsContact SG-CB 3.58Å
121	P	82.6	Confident	74.3	Confident	64 Å²	64	91 Å²	91	42%	0.416	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.8	179.3	26.9	-35.2	0	0	0	113.6	R119 A139 W140	R119-P121 WeakPolarHBondContact O-CD 3.37Å; P121-A139 WeakPolarHBondContact CD-O 3.46Å; P121-W140 HydrophobicContact CB-CH2 4.48Å; P121-W140 HydrophobicContact CB-CZ2 4.49Å; P121-W140 HydrophobicContact CG-CD2 3.84Å; P121-W140 VanDerWaalsContact CG-CE2 3.45Å; P121-W140 HydrophobicContact CG-CE3 4.03Å; P121-W140 HydrophobicContact CG-CH2 3.48Å; P121-W140 VanDerWaalsContact CG-CH2 3.48Å; P121-W140 HydrophobicContact CG-CZ2 3.25Å; P121-W140 HydrophobicContact CG-CZ3 3.88Å
122	R	82.7	Confident	75.9	Confident	67 Å²	67	90.2 Å²	90.2	25%	0.253	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-41.5	-179.5	175.3	165.4	-72.6	174.8	-5	114.1	C120 W140 C144 R146 E165	C120-R122 PolarHBondContact O-N 3.23Å; R122-W140 HydrophobicContact CB-CE3 4.19Å; R122-W140 HydrophobicContact CB-CZ3 3.73Å; R122-C144 HydrophobicContact CB-CB 4.34Å; R122-C144 PolarHBondContact NH1-O 2.84Å; R122-R146 PolarHBondContact NH1-O 3.07Å; R122-R146 PolarHBondContact NH2-O 2.87Å; R122-E165 IonicContact NH2-OE2 3.69Å
123	C	85.1	Confident	77	Confident	39 Å²	39	85 Å²	85	26%	0.264	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-2	-177.3	73.7	0	0	0	0	113	K125 H141	C123-K125 WeakPolarHBondContact O-CG 3.48Å; C123-K125 PolarHBondContact O-N 2.86Å; C123-H141 PolarHBondContact SG-CE1 3.39Å; C123-H141 PolarHBondContact SG-ND1 3.02Å
124	S	81.7	Confident	78.6	Confident	95 Å²	95	80.5 Å²	80.5	66%	0.664	46%	0.456	S	S	*	.			trans	58.1	14.2	179.3	-44.9	0	0	0	0	114.6	C120	C120-S124 WeakPolarHBondContact O-CA 3.48Å; C120-S124 PolarHBondContact O-N 3.19Å
125	K	83.8	Confident	79.9	Confident	143 Å²	143	71.3 Å²	71.3	62%	0.622	42%	0.416	S	S	*	.			trans	-94.7	154.2	179.4	-65.1	171.2	-173.8	177.6	0	110.3	C120 C123	C120-K125 PolarHBondContact N-O 3.17Å; C123-K125 WeakPolarHBondContact O-CG 3.48Å; C123-K125 PolarHBondContact O-N 2.86Å
126	A	86.6	Confident	80.6	Confident	35 Å²	35	70.8 Å²	70.8	29%	0.289	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-61.8	137.4	172.5	0	0	0	0	0	110.7	Y128 H141	A126-Y128 HydrophobicContact CB-CE2 4.47Å; A126-H141 PolarHBondContact O-NE2 2.84Å
127	V	85.9	Confident	81.5	Confident	11 Å²	11	70.5 Å²	70.5	7%	0.067	40%	0.404	C	S	.	.			trans	-101	113.9	177	-176.6	0	0	0	0	107.2	D118 C120 K132 A139 W140	D118-V127 HydrophobicContact CB-CB 4.36Å; D118-V127 WeakPolarHBondContact O-CB 3.47Å; D118-V127 PolarHBondContact O-N 2.79Å; C120-V127 HydrophobicContact CB-CG2 3.62Å; V127-K132 HydrophobicContact CG1-CB 3.72Å; V127-K132 HydrophobicContact CG1-CG 4.14Å; V127-A139 HydrophobicContact CB-CB 4.45Å; V127-A139 HydrophobicContact CG2-CB 4.47Å; V127-W140 WeakPolarHBondContact CG1-O 3.24Å
128	Y	84.6	Confident	82.1	Confident	170 Å²	170	73 Å²	73	67%	0.667	41%	0.407	S	S	*	.			trans	-85.3	156.3	176.6	-62.8	-81.3	0	0	0	110.6	A126 A130 E131 K132	A126-Y128 HydrophobicContact CB-CE2 4.47Å; Y128-A130 PolarHBondContact O-N 3.34Å; Y128-E131 PolarHBondContact O-N 3.24Å; Y128-K132 PolarHBondContact O-N 2.97Å
129	A	80.1	Confident	82.3	Confident	97 Å²	97	70.4 Å²	70.4	80%	0.802	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.6	-177.3	0	0	0	0	0	114	E131	A129-E131 VanDerWaalsContact C-N 3.32Å; A129-E131 PolarHBondContact O-N 3.28Å
130	A	81.3	Confident	82.4	Confident	76 Å²	76	62.3 Å²	62.3	63%	0.628	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.5	178.7	0	0	0	0	0	114.2	Y128 K142	Y128-A130 PolarHBondContact O-N 3.34Å; A130-K142 PolarHBondContact O-NZ 2.97Å
131	E	79.6	Confident	82.5	Confident	82 Å²	82	62.9 Å²	62.9	38%	0.383	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	2.6	-176	-62.2	-169.9	125	0	0	113.2	Y128 A129 V133 H141 K142	Y128-E131 PolarHBondContact O-N 3.24Å; A129-E131 VanDerWaalsContact C-N 3.32Å; A129-E131 PolarHBondContact O-N 3.28Å; E131-V133 PolarHBondContact O-N 2.82Å; E131-H141 WeakPolarHBondContact O-CA 3.46Å; E131-H141 IonicContact OE2-CD2 3.85Å; E131-K142 PolarHBondContact O-N 3.41Å
132	K	82.9	Confident	82.5	Confident	81 Å²	81	65.6 Å²	65.6	35%	0.352	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	120.2	-178.1	-178.7	176.4	171.1	173.8	0	110.9	D118 V127 Y128 M134 A139	D118-K132 VanDerWaalsContact OD2-CE 3.23Å; D118-K132 WeakPolarHBondContact OD2-CE 3.14Å; D118-K132 IonicContact OD2-NZ 2.67Å; D118-K132 PolarHBondContact OD2-NZ 2.96Å; V127-K132 HydrophobicContact CG1-CB 3.72Å; V127-K132 HydrophobicContact CG1-CG 4.14Å; Y128-K132 PolarHBondContact O-N 2.97Å; K132-M134 HydrophobicContact CD-SD 4.5Å; K132-M134 WeakPolarHBondContact CE-SD 3.18Å; K132-A139 HydrophobicContact CG-CB 4.44Å
133	V	84.5	Confident	82.6	Confident	16 Å²	16	67.2 Å²	67.2	10%	0.097	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.9	162.5	-60.4	0	0	0	0	108.9	E131 W140 K142 F145	E131-V133 PolarHBondContact O-N 2.82Å; V133-W140 HydrophobicContact CG2-CB 3.88Å; V133-W140 WeakPolarHBondContact CG2-O 3.32Å; V133-W140 PolarHBondContact N-O 2.85Å; V133-W140 PolarHBondContact O-N 3.25Å; V133-K142 HydrophobicContact CG1-CG 3.65Å; V133-F145 HydrophobicContact CG2-CB 3.67Å; V133-F145 HydrophobicContact CG2-CD1 4.32Å; V133-F145 HydrophobicContact CG2-CD2 3.65Å; V133-F145 HydrophobicContact CG2-CE2 4.28Å; V133-F145 HydrophobicContact CG2-CG 3.64Å
134	M	82	Confident	82.6	Confident	89 Å²	89	66.1 Å²	66.1	44%	0.438	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.5	176.6	-66.9	-60.9	-68.7	0	0	108.8	K132 A139	K132-M134 HydrophobicContact CD-SD 4.5Å; K132-M134 WeakPolarHBondContact CE-SD 3.18Å; M134-A139 HydrophobicContact SD-CB 4.01Å
135	G	77.1	Confident	82.9	Confident	4 Å²	4	61.8 Å²	61.8	4%	0.041	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.1	169.9	0	0	0	0	0	109.5	G137 K138 W140	G135-G137 PolarHBondContact O-N 3.33Å; G135-K138 PolarHBondContact N-O 2.98Å; G135-K138 PolarHBondContact O-N 2.9Å; G135-W140 PolarHBondContact O-NE1 2.86Å
136	A	70.8	Confident	83	Confident	42 Å²	42	61.1 Å²	61.1	35%	0.347	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	33	-177.4	0	0	0	0	0	114.3	K138 D161	A136-K138 PolarHBondContact O-N 3.46Å; A136-K138 VanDerWaalsContact O-N 3.1Å; A136-D161 HydrophobicContact CB-CB 3.37Å; A136-D161 WeakPolarHBondContact CB-OD1 3.09Å; A136-D161 WeakPolarHBondContact CB-OD2 3.4Å
137	G	77.2	Confident	83.1	Confident	71 Å²	71	59.6 Å²	59.6	73%	0.732	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	7.5	-175.9	0	0	0	0	0	115	G135	G135-G137 PolarHBondContact O-N 3.33Å
138	K	82.2	Confident	83	Confident	119 Å²	119	61.3 Å²	61.3	52%	0.517	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.5	175.7	-63.5	180	-170.6	-67.2	0	110.6	G135 A136 W140	G135-K138 PolarHBondContact N-O 2.98Å; G135-K138 PolarHBondContact O-N 2.9Å; A136-K138 PolarHBondContact O-N 3.46Å; A136-K138 VanDerWaalsContact O-N 3.1Å; K138-W140 VanDerWaalsContact O-CD1 3.28Å
139	A	86.1	Confident	83	Confident	2 Å²	2	57.9 Å²	57.9	2%	0.017	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.3	176.3	0	0	0	0	0	111.4	D118 C120 P121 V127 K132 M134	D118-A139 HydrophobicContact CB-CB 3.37Å; C120-A139 WeakPolarHBondContact CA-O 3.38Å; P121-A139 WeakPolarHBondContact CD-O 3.46Å; V127-A139 HydrophobicContact CB-CB 4.45Å; V127-A139 HydrophobicContact CG2-CB 4.47Å; K132-A139 HydrophobicContact CG-CB 4.44Å; M134-A139 HydrophobicContact SD-CB 4.01Å
140	W	87.6	Confident	83.3	Confident	5 Å²	5	55.8 Å²	55.8	2%	0.019	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.6	179.4	-60.3	75.4	0	0	0	109.8	P121 R122 V127 V133 G135 K138 F145 L166	P121-W140 HydrophobicContact CB-CH2 4.48Å; P121-W140 HydrophobicContact CB-CZ2 4.49Å; P121-W140 HydrophobicContact CG-CD2 3.84Å; P121-W140 VanDerWaalsContact CG-CE2 3.45Å; P121-W140 HydrophobicContact CG-CE3 4.03Å; P121-W140 HydrophobicContact CG-CH2 3.48Å; P121-W140 VanDerWaalsContact CG-CH2 3.48Å; P121-W140 HydrophobicContact CG-CZ2 3.25Å; P121-W140 HydrophobicContact CG-CZ3 3.88Å; R122-W140 HydrophobicContact CB-CE3 4.19Å; R122-W140 HydrophobicContact CB-CZ3 3.73Å; V127-W140 WeakPolarHBondContact CG1-O 3.24Å; V133-W140 HydrophobicContact CG2-CB 3.88Å; V133-W140 WeakPolarHBondContact CG2-O 3.32Å; V133-W140 PolarHBondContact N-O 2.85Å; V133-W140 PolarHBondContact O-N 3.25Å; G135-W140 PolarHBondContact O-NE1 2.86Å; K138-W140 VanDerWaalsContact O-CD1 3.28Å; W140-F145 HydrophobicContact CB-CB 4.41Å; W140-F145 HydrophobicContact CB-CD2 3.82Å; W140-F145 HydrophobicContact CD2-CD2 4.4Å; W140-F145 AromaticContact CG-CD2 3.91Å; W140-F145 HydrophobicContact CG-CD2 3.91Å; W140-L166 HydrophobicContact CD2-CD1 3.67Å; W140-L166 HydrophobicContact CD2-CG 4.44Å; W140-L166 HydrophobicContact CE3-CD1 3.62Å; W140-L166 HydrophobicContact CE3-CG 4.43Å; W140-L166 HydrophobicContact CG-CD1 4.35Å; W140-L166 HydrophobicContact CH2-CD1 3.77Å; W140-L166 HydrophobicContact CH2-CD2 4.36Å; W140-L166 HydrophobicContact CH2-CG 3.66Å; W140-L166 HydrophobicContact CZ2-CD1 3.82Å; W140-L166 HydrophobicContact CZ2-CD2 3.83Å; W140-L166 HydrophobicContact CZ2-CG 3.64Å; W140-L166 HydrophobicContact CZ3-CD1 3.65Å; W140-L166 HydrophobicContact CZ3-CG 4.04Å
141	H	87.8	Confident	83.4	Confident	13 Å²	13	54.3 Å²	54.3	6%	0.06	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	146.1	165.5	-55.8	97.3	0	0	0	110.3	C120 C123 A126 E131 T143 C144 F145	C120-H141 VanDerWaalsContact CB-CE1 3.46Å; C120-H141 WeakPolarHBondContact CB-CE1 3.5Å; C120-H141 WeakPolarHBondContact CB-ND1 3.42Å; C123-H141 PolarHBondContact SG-CE1 3.39Å; C123-H141 PolarHBondContact SG-ND1 3.02Å; A126-H141 PolarHBondContact O-NE2 2.84Å; E131-H141 WeakPolarHBondContact O-CA 3.46Å; E131-H141 IonicContact OE2-CD2 3.85Å; H141-T143 PolarHBondContact O-N 2.9Å; H141-T143 VanDerWaalsContact O-N 3.13Å; H141-C144 HydrophobicContact CB-CB 3.99Å; H141-C144 CarbonylContact O-C 3.59Å; H141-C144 WeakPolarHBondContact O-CA 3.49Å; H141-C144 PolarHBondContact O-N 3.49Å; H141-F145 WeakPolarHBondContact O-CB 3.22Å; H141-F145 PolarHBondContact O-N 3.13Å
142	K	83.7	Confident	83.6	Confident	121 Å²	121	57.4 Å²	57.4	53%	0.526	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-39.8	169.2	-69.3	171.7	179.2	171.2	0	112.9	A130 E131 V133	A130-K142 PolarHBondContact O-NZ 2.97Å; E131-K142 PolarHBondContact O-N 3.41Å; V133-K142 HydrophobicContact CG1-CG 3.65Å
143	T	84.7	Confident	83.6	Confident	100 Å²	100	58.3 Å²	58.3	61%	0.613	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-30.5	178.3	55.2	0	0	0	0	113.6	H141	H141-T143 PolarHBondContact O-N 2.9Å; H141-T143 VanDerWaalsContact O-N 3.13Å
144	C	85.4	Confident	83.3	Confident	17 Å²	17	58.6 Å²	58.6	12%	0.115	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-16.7	180	-68.9	0	0	0	0	112.3	C120 R122 H141 R146	C120-C144 VanDerWaalsContact SG-CB 3.58Å; R122-C144 HydrophobicContact CB-CB 4.34Å; R122-C144 PolarHBondContact NH1-O 2.84Å; H141-C144 HydrophobicContact CB-CB 3.99Å; H141-C144 CarbonylContact O-C 3.59Å; H141-C144 WeakPolarHBondContact O-CA 3.49Å; H141-C144 PolarHBondContact O-N 3.49Å; C144-R146 VanDerWaalsContact C-N 3.25Å; C144-R146 PolarHBondContact O-N 3.22Å
145	F	86.2	Confident	82.9	Confident	3 Å²	3	61.7 Å²	61.7	1%	0.013	35%	0.353	C	S	.	.			trans	-81.1	70.3	-178.2	-160.8	-100.7	0	0	0	111.4	V133 W140 H141 L154 V159 L166	V133-F145 HydrophobicContact CG2-CB 3.67Å; V133-F145 HydrophobicContact CG2-CD1 4.32Å; V133-F145 HydrophobicContact CG2-CD2 3.65Å; V133-F145 HydrophobicContact CG2-CE2 4.28Å; V133-F145 HydrophobicContact CG2-CG 3.64Å; W140-F145 HydrophobicContact CB-CB 4.41Å; W140-F145 HydrophobicContact CB-CD2 3.82Å; W140-F145 HydrophobicContact CD2-CD2 4.4Å; W140-F145 AromaticContact CG-CD2 3.91Å; W140-F145 HydrophobicContact CG-CD2 3.91Å; H141-F145 WeakPolarHBondContact O-CB 3.22Å; H141-F145 PolarHBondContact O-N 3.13Å; F145-L154 HydrophobicContact CD1-CB 3.65Å; F145-L154 WeakPolarHBondContact CD1-O 3.31Å; F145-L154 HydrophobicContact CE1-CB 3.54Å; F145-L154 PolarHBondContact O-N 2.92Å; F145-V159 HydrophobicContact CE1-CB 3.99Å; F145-V159 HydrophobicContact CE1-CG1 4.43Å; F145-V159 HydrophobicContact CE1-CG2 4.26Å; F145-V159 HydrophobicContact CE2-CB 4.3Å; F145-V159 HydrophobicContact CE2-CG1 4.2Å; F145-V159 HydrophobicContact CE2-CG2 4.08Å; F145-V159 HydrophobicContact CZ-CB 3.45Å; F145-V159 VanDerWaalsContact CZ-CB 3.45Å; F145-V159 HydrophobicContact CZ-CG1 3.5Å; F145-V159 HydrophobicContact CZ-CG2 3.67Å; F145-L166 HydrophobicContact CD2-CD1 3.36Å; F145-L166 HydrophobicContact CE2-CD1 3.68Å; F145-L166 HydrophobicContact CE2-CD2 4.3Å; F145-L166 HydrophobicContact CG-CD1 4.05Å
146	R	87.3	Confident	82.3	Confident	130 Å²	130	64.7 Å²	64.7	49%	0.491	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-131.3	148.6	-179.5	62.8	-179.7	-175	-178.3	2.3	110.8	R122 C144 K152	R122-R146 PolarHBondContact NH1-O 3.07Å; R122-R146 PolarHBondContact NH2-O 2.87Å; C144-R146 VanDerWaalsContact C-N 3.25Å; C144-R146 PolarHBondContact O-N 3.22Å; R146-K152 CarbonylContact C-O 3.54Å; R146-K152 VanDerWaalsContact CA-O 3.23Å; R146-K152 WeakPolarHBondContact CA-O 3.47Å; R146-K152 WeakPolarHBondContact CB-O 3.11Å
147	C	87.8	Confident	81.9	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.014	39%	0.394	C	S	.	.			trans	-62.6	135.6	178.8	-179.5	0	0	0	0	111.6	L149 C150 G151 K152 L154 L166 C168 C171	C147-L149 VanDerWaalsContact C-N 3.33Å; C147-L149 PolarHBondContact O-N 3.32Å; C147-L149 PolarHBondContact SG-N 3.34Å; C147-L149 VanDerWaalsContact SG-N 3.4Å; C147-C150 WeakPolarHBondContact CB-SG 3.25Å; C147-C150 VanDerWaalsContact SG-SG 3.64Å; C147-G151 WeakPolarHBondContact O-CA 3.2Å; C147-G151 PolarHBondContact O-N 2.77Å; C147-K152 PolarHBondContact N-O 2.83Å; C147-L154 HydrophobicContact CB-CD1 4.1Å; C147-L154 HydrophobicContact CB-CD2 4.45Å; C147-L154 HydrophobicContact CB-CG 4.36Å; C147-L166 CarbonylContact C-O 3.54Å; C147-L166 WeakPolarHBondContact CA-O 3.48Å; C147-C168 HydrophobicContact CB-CB 4.04Å; C147-C168 PolarHBondContact SG-N 3.05Å; C147-C171 PolarHBondContact SG-SG 3.17Å
148	A	84.8	Confident	81.3	Confident	47 Å²	47	68.2 Å²	68.2	39%	0.388	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-28.7	176.7	0	0	0	0	0	113.9	E165 L166 Y167	A148-E165 HydrophobicContact CB-CG 3.5Å; A148-L166 PolarHBondContact N-O 2.95Å; A148-Y167 HydrophobicContact CB-CE1 4.34Å
149	L	84.4	Confident	80.8	Confident	99 Å²	99	64 Å²	64	52%	0.518	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-47.9	-179	-66.6	173.9	0	0	0	112.9	C147 Y167 C171 N175	C147-L149 VanDerWaalsContact C-N 3.33Å; C147-L149 PolarHBondContact O-N 3.32Å; C147-L149 PolarHBondContact SG-N 3.34Å; C147-L149 VanDerWaalsContact SG-N 3.4Å; L149-Y167 HydrophobicContact CD1-CD1 3.65Å; L149-Y167 HydrophobicContact CD1-CE1 3.8Å; L149-Y167 HydrophobicContact CD2-CE1 4.38Å; L149-Y167 HydrophobicContact CG-CD1 3.81Å; L149-Y167 HydrophobicContact CG-CE1 3.71Å; L149-C171 HydrophobicContact CB-CB 4.27Å; L149-C171 HydrophobicContact CD1-CB 3.83Å; L149-N175 HydrophobicContact CD1-CB 4.31Å
150	C	86.3	Confident	80.3	Confident	53 Å²	53	65.7 Å²	65.7	36%	0.358	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-4.6	-172.5	69.3	0	0	0	0	114.3	C147 K152 C171	C147-C150 WeakPolarHBondContact CB-SG 3.25Å; C147-C150 VanDerWaalsContact SG-SG 3.64Å; C150-K152 HydrophobicContact CB-CG 4.33Å; C150-K152 PolarHBondContact O-N 3.5Å; C150-K152 VanDerWaalsContact SG-CG 3.59Å; C150-C171 PolarHBondContact SG-SG 3.29Å
151	G	83	Confident	80	Confident	45 Å²	45	69.2 Å²	69.2	46%	0.464	39%	0.39	S	S	.	.			trans	67.7	-1.9	-179.5	0	0	0	0	0	115.4	C147 S153	C147-G151 WeakPolarHBondContact O-CA 3.2Å; C147-G151 PolarHBondContact O-N 2.77Å; G151-S153 PolarHBondContact O-N 3.26Å
152	K	83.1	Confident	79.4	Confident	146 Å²	146	71.9 Å²	71.9	64%	0.635	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-65.5	133.7	179.6	-63.4	-174.1	-168.4	-149.3	0	110.3	R146 C147 C150 L154	R146-K152 CarbonylContact C-O 3.54Å; R146-K152 VanDerWaalsContact CA-O 3.23Å; R146-K152 WeakPolarHBondContact CA-O 3.47Å; R146-K152 WeakPolarHBondContact CB-O 3.11Å; C147-K152 PolarHBondContact N-O 2.83Å; C150-K152 HydrophobicContact CB-CG 4.33Å; C150-K152 PolarHBondContact O-N 3.5Å; C150-K152 VanDerWaalsContact SG-CG 3.59Å; K152-L154 PolarHBondContact O-N 3.01Å
153	S	82.9	Confident	78.8	Confident	100 Å²	100	72.8 Å²	72.8	70%	0.699	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-58.8	129.1	168.4	47.7	0	0	0	0	109.1	G151	G151-S153 PolarHBondContact O-N 3.26Å
154	L	78.9	Confident	78.3	Confident	23 Å²	23	70.2 Å²	70.2	12%	0.12	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-97.7	160.5	176.8	-61.2	174.6	0	0	0	108.8	F145 C147 K152 V159 L166 Y167 C168	F145-L154 HydrophobicContact CD1-CB 3.65Å; F145-L154 WeakPolarHBondContact CD1-O 3.31Å; F145-L154 HydrophobicContact CE1-CB 3.54Å; F145-L154 PolarHBondContact O-N 2.92Å; C147-L154 HydrophobicContact CB-CD1 4.1Å; C147-L154 HydrophobicContact CB-CD2 4.45Å; C147-L154 HydrophobicContact CB-CG 4.36Å; K152-L154 PolarHBondContact O-N 3.01Å; L154-V159 HydrophobicContact CD1-CB 4.5Å; L154-V159 HydrophobicContact CD1-CG2 3.88Å; L154-L166 HydrophobicContact CD1-CB 4.39Å; L154-Y167 WeakPolarHBondContact CD1-O 3.49Å; L154-C168 HydrophobicContact CD2-CB 3.56Å
155	E	73.4	Confident	78	Confident	154 Å²	154	73.3 Å²	73.3	72%	0.72	42%	0.418	S	S	*	.			trans	-111.2	149.8	169.3	-72.9	180	171.3	0	0	109	T157 T158	E155-T157 PolarHBondContact O-N 3.46Å; E155-T158 PolarHBondContact O-N 3.44Å
156	S	65.1	Low	77.9	Confident	67 Å²	67	73.1 Å²	73.1	47%	0.469	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-29.6	-170.2	-30.9	0	0	0	0	113.8
157	T	61.3	Low	77.8	Confident	129 Å²	129	68.5 Å²	68.5	79%	0.791	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-14.5	-172.5	-43.1	0	0	0	0	113.7	E155	E155-T157 PolarHBondContact O-N 3.46Å
158	T	64.4	Low	77.8	Confident	58 Å²	58	69 Å²	69	36%	0.356	40%	0.403	S	S	.	.	S	Bend	trans	-131.7	27.5	-173	66.4	0	0	0	0	114.4	E155	E155-T158 PolarHBondContact O-N 3.44Å
159	V	72.8	Confident	77.6	Confident	29 Å²	29	72.8 Å²	72.8	18%	0.176	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	143.5	176.4	70.5	0	0	0	0	111	F145 L154 L166	F145-V159 HydrophobicContact CE1-CB 3.99Å; F145-V159 HydrophobicContact CE1-CG1 4.43Å; F145-V159 HydrophobicContact CE1-CG2 4.26Å; F145-V159 HydrophobicContact CE2-CB 4.3Å; F145-V159 HydrophobicContact CE2-CG1 4.2Å; F145-V159 HydrophobicContact CE2-CG2 4.08Å; F145-V159 HydrophobicContact CZ-CB 3.45Å; F145-V159 VanDerWaalsContact CZ-CB 3.45Å; F145-V159 HydrophobicContact CZ-CG1 3.5Å; F145-V159 HydrophobicContact CZ-CG2 3.67Å; L154-V159 HydrophobicContact CD1-CB 4.5Å; L154-V159 HydrophobicContact CD1-CG2 3.88Å; V159-L166 HydrophobicContact CG2-CB 4.04Å; V159-L166 HydrophobicContact CG2-CD1 4.46Å; V159-L166 HydrophobicContact CG2-CD2 3.49Å; V159-L166 VanDerWaalsContact CG2-CD2 3.49Å; V159-L166 HydrophobicContact CG2-CG 4.17Å
160	T	76	Confident	77.6	Confident	38 Å²	38	72.3 Å²	72.3	23%	0.233	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.7	167	-46	0	0	0	0	107.5	Y167 Y172	T160-Y167 PolarHBondContact N-O 2.08Å; T160-Y167 PolarHBondContact O-N 3.4Å; T160-Y172 HydrophobicContact CG2-CD1 4.27Å; T160-Y172 HydrophobicContact CG2-CD2 3.61Å; T160-Y172 HydrophobicContact CG2-CE1 4.22Å; T160-Y172 HydrophobicContact CG2-CE2 3.53Å; T160-Y172 HydrophobicContact CG2-CG 3.98Å
161	D	81.1	Confident	77.5	Confident	79 Å²	79	70.5 Å²	70.5	42%	0.422	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	143.8	171.3	63.7	-68.1	0	0	0	111.5	A136 E165 L166	A136-D161 HydrophobicContact CB-CB 3.37Å; A136-D161 WeakPolarHBondContact CB-OD1 3.09Å; A136-D161 WeakPolarHBondContact CB-OD2 3.4Å; D161-E165 WeakPolarHBondContact CA-O 3.49Å; D161-L166 HydrophobicContact CB-CD2 4.42Å
162	K	74.9	Confident	77.7	Confident	70 Å²	70	72 Å²	72	30%	0.304	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	117.4	176.2	-140.4	-70.3	-166.6	-163.8	0	106	G164 E165 Y167 Y172 F176	K162-G164 VanDerWaalsContact C-N 3.25Å; K162-G164 PolarHBondContact O-N 2.91Å; K162-E165 PolarHBondContact N-O 2.84Å; K162-E165 PolarHBondContact O-N 2.83Å; K162-E165 VanDerWaalsContact O-N 3.13Å; K162-Y167 HydrophobicContact CB-CD2 3.75Å; K162-Y167 HydrophobicContact CB-CE2 3.63Å; K162-Y172 HydrophobicContact CB-CE2 4.09Å; K162-Y172 HydrophobicContact CG-CD2 4.49Å; K162-Y172 HydrophobicContact CG-CE2 3.69Å; K162-F176 HydrophobicContact CD-CE1 4.31Å
163	D	70.9	Confident	77.7	Confident	140 Å²	140	68 Å²	68	75%	0.749	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	32.3	179.9	-58.1	-58.8	0	0	0	114.4	E165	D163-E165 VanDerWaalsContact C-N 3.31Å; D163-E165 PolarHBondContact O-N 3.12Å
164	G	73.3	Confident	77.7	Confident	46 Å²	46	71.1 Å²	71.1	47%	0.474	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	1.7	179.2	0	0	0	0	0	115.2	K162	K162-G164 VanDerWaalsContact C-N 3.25Å; K162-G164 PolarHBondContact O-N 2.91Å
165	E	79.1	Confident	77.8	Confident	81 Å²	81	74.4 Å²	74.4	38%	0.379	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	144.2	179.4	-153.6	79.3	99.4	0	0	110.6	R122 A148 D161 K162 D163 Y167	R122-E165 IonicContact NH2-OE2 3.69Å; A148-E165 HydrophobicContact CB-CG 3.5Å; D161-E165 WeakPolarHBondContact CA-O 3.49Å; K162-E165 PolarHBondContact N-O 2.84Å; K162-E165 PolarHBondContact O-N 2.83Å; K162-E165 VanDerWaalsContact O-N 3.13Å; D163-E165 VanDerWaalsContact C-N 3.31Å; D163-E165 PolarHBondContact O-N 3.12Å; E165-Y167 HydrophobicContact CB-CE2 3.79Å; E165-Y167 HydrophobicContact CG-CE2 4.38Å; E165-Y167 WeakPolarHBondContact O-CD2 3.43Å; E165-Y167 WeakPolarHBondContact O-CE2 3.47Å
166	L	84.7	Confident	78.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.3	-176.4	-59.6	174.5	0	0	0	112.3	W140 F145 C147 A148 L154 V159 D161	W140-L166 HydrophobicContact CD2-CD1 3.67Å; W140-L166 HydrophobicContact CD2-CG 4.44Å; W140-L166 HydrophobicContact CE3-CD1 3.62Å; W140-L166 HydrophobicContact CE3-CG 4.43Å; W140-L166 HydrophobicContact CG-CD1 4.35Å; W140-L166 HydrophobicContact CH2-CD1 3.77Å; W140-L166 HydrophobicContact CH2-CD2 4.36Å; W140-L166 HydrophobicContact CH2-CG 3.66Å; W140-L166 HydrophobicContact CZ2-CD1 3.82Å; W140-L166 HydrophobicContact CZ2-CD2 3.83Å; W140-L166 HydrophobicContact CZ2-CG 3.64Å; W140-L166 HydrophobicContact CZ3-CD1 3.65Å; W140-L166 HydrophobicContact CZ3-CG 4.04Å; F145-L166 HydrophobicContact CD2-CD1 3.36Å; F145-L166 HydrophobicContact CE2-CD1 3.68Å; F145-L166 HydrophobicContact CE2-CD2 4.3Å; F145-L166 HydrophobicContact CG-CD1 4.05Å; C147-L166 CarbonylContact C-O 3.54Å; C147-L166 WeakPolarHBondContact CA-O 3.48Å; A148-L166 PolarHBondContact N-O 2.95Å; L154-L166 HydrophobicContact CD1-CB 4.39Å; V159-L166 HydrophobicContact CG2-CB 4.04Å; V159-L166 HydrophobicContact CG2-CD1 4.46Å; V159-L166 HydrophobicContact CG2-CD2 3.49Å; V159-L166 VanDerWaalsContact CG2-CD2 3.49Å; V159-L166 HydrophobicContact CG2-CG 4.17Å; D161-L166 HydrophobicContact CB-CD2 4.42Å
167	Y	85.4	Confident	78.7	Confident	33 Å²	33	68.2 Å²	68.2	13%	0.129	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.2	178.1	-60.2	-84.8	0	0	0	112.3	A148 L149 L154 T160 K162 E165 F176	A148-Y167 HydrophobicContact CB-CE1 4.34Å; L149-Y167 HydrophobicContact CD1-CD1 3.65Å; L149-Y167 HydrophobicContact CD1-CE1 3.8Å; L149-Y167 HydrophobicContact CD2-CE1 4.38Å; L149-Y167 HydrophobicContact CG-CD1 3.81Å; L149-Y167 HydrophobicContact CG-CE1 3.71Å; L154-Y167 WeakPolarHBondContact CD1-O 3.49Å; T160-Y167 PolarHBondContact N-O 2.08Å; T160-Y167 PolarHBondContact O-N 3.4Å; K162-Y167 HydrophobicContact CB-CD2 3.75Å; K162-Y167 HydrophobicContact CB-CE2 3.63Å; E165-Y167 HydrophobicContact CB-CE2 3.79Å; E165-Y167 HydrophobicContact CG-CE2 4.38Å; E165-Y167 WeakPolarHBondContact O-CD2 3.43Å; E165-Y167 WeakPolarHBondContact O-CE2 3.47Å; Y167-F176 HydrophobicContact CD1-CE2 4.17Å; Y167-F176 HydrophobicContact CD2-CE2 4.38Å; Y167-F176 AromaticContact CE1-CE2 3.99Å; Y167-F176 HydrophobicContact CE1-CE2 3.99Å; Y167-F176 HydrophobicContact CE1-CZ 4.44Å; Y167-F176 HydrophobicContact CE2-CE2 4.23Å; Y167-F176 HydrophobicContact CG-CE2 4.35Å
168	C	86.9	Confident	79.2	Confident	13 Å²	13	68.4 Å²	68.4	9%	0.088	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	145.6	170.5	91.2	0	0	0	0	109.6	C147 L154 V170 C171 Y172	C147-C168 HydrophobicContact CB-CB 4.04Å; C147-C168 PolarHBondContact SG-N 3.05Å; L154-C168 HydrophobicContact CD2-CB 3.56Å; C168-V170 PolarHBondContact O-N 3Å; C168-V170 VanDerWaalsContact O-N 3.11Å; C168-C171 HydrophobicContact CB-CB 4.14Å; C168-C171 WeakPolarHBondContact CB-SG 3.31Å; C168-C171 CarbonylContact O-C 3.59Å; C168-C171 WeakPolarHBondContact O-CA 3.32Å; C168-C171 WeakPolarHBondContact O-CB 3.33Å; C168-C171 PolarHBondContact O-N 3.03Å; C168-C171 WeakPolarHBondContact SG-CB 3.3Å; C168-C171 PolarHBondContact SG-N 2.97Å; C168-C171 CovalentContact SG-SG 2.07Å; C168-C171 PolarHBondContact SG-SG 3.09Å; C168-Y172 WeakPolarHBondContact O-CB 3.41Å; C168-Y172 PolarHBondContact O-N 3.45Å
169	K	81.8	Confident	79	Confident	125 Å²	125	74.8 Å²	74.8	54%	0.543	40%	0.399	S	S	.	.	H	α-helix	trans	-49.4	-41.6	177.9	-72.5	-176.2	177.4	179.9	0	113.1	Y172 A173	K169-Y172 PolarHBondContact O-N 3Å; K169-A173 WeakPolarHBondContact O-CB 3.15Å; K169-A173 PolarHBondContact O-N 2.88Å
170	V	84.3	Confident	78.1	Confident	90 Å²	90	76.6 Å²	76.6	55%	0.545	42%	0.424	S	S	.	.	H	α-helix	trans	-64	-43.4	177.9	-178.1	0	0	0	0	111.6	C168 K174	C168-V170 PolarHBondContact O-N 3Å; C168-V170 VanDerWaalsContact O-N 3.11Å; V170-K174 HydrophobicContact CG1-CD 4.14Å; V170-K174 WeakPolarHBondContact O-CB 3.23Å; V170-K174 WeakPolarHBondContact O-CG 3.3Å; V170-K174 PolarHBondContact O-N 2.87Å
171	C	84.3	Confident	77.2	Confident	14 Å²	14	84 Å²	84	10%	0.095	45%	0.453	C	S	.	.	H	α-helix	trans	-71.7	-39	-178.2	-47.5	0	0	0	0	110.4	C147 L149 C150 C168 K174 N175	C147-C171 PolarHBondContact SG-SG 3.17Å; L149-C171 HydrophobicContact CB-CB 4.27Å; L149-C171 HydrophobicContact CD1-CB 3.83Å; C150-C171 PolarHBondContact SG-SG 3.29Å; C168-C171 HydrophobicContact CB-CB 4.14Å; C168-C171 WeakPolarHBondContact CB-SG 3.31Å; C168-C171 CarbonylContact O-C 3.59Å; C168-C171 WeakPolarHBondContact O-CA 3.32Å; C168-C171 WeakPolarHBondContact O-CB 3.33Å; C168-C171 PolarHBondContact O-N 3.03Å; C168-C171 WeakPolarHBondContact SG-CB 3.3Å; C168-C171 PolarHBondContact SG-N 2.97Å; C168-C171 CovalentContact SG-SG 2.07Å; C168-C171 PolarHBondContact SG-SG 3.09Å; C171-K174 PolarHBondContact O-N 3.16Å; C171-N175 WeakPolarHBondContact O-CB 3.19Å; C171-N175 PolarHBondContact O-N 3.07Å
172	Y	86.3	Confident	75.4	Confident	78 Å²	78	83.9 Å²	83.9	31%	0.306	47%	0.47	S	S	.	.	H	α-helix	trans	-64.3	-48.8	176.2	-173	-88.7	0	0	0	110.8	T160 K162 C168 K169 K174 N175 F176 G177	T160-Y172 HydrophobicContact CG2-CD1 4.27Å; T160-Y172 HydrophobicContact CG2-CD2 3.61Å; T160-Y172 HydrophobicContact CG2-CE1 4.22Å; T160-Y172 HydrophobicContact CG2-CE2 3.53Å; T160-Y172 HydrophobicContact CG2-CG 3.98Å; K162-Y172 HydrophobicContact CB-CE2 4.09Å; K162-Y172 HydrophobicContact CG-CD2 4.49Å; K162-Y172 HydrophobicContact CG-CE2 3.69Å; C168-Y172 WeakPolarHBondContact O-CB 3.41Å; C168-Y172 PolarHBondContact O-N 3.45Å; K169-Y172 PolarHBondContact O-N 3Å; Y172-K174 PolarHBondContact O-N 2.61Å; Y172-N175 PolarHBondContact O-N 3.37Å; Y172-F176 HydrophobicContact CD2-CB 4.34Å; Y172-F176 AromaticContact CD2-CD2 3.83Å; Y172-F176 HydrophobicContact CD2-CD2 3.83Å; Y172-F176 HydrophobicContact CD2-CG 4.43Å; Y172-F176 HydrophobicContact CE1-CB 4.4Å; Y172-F176 HydrophobicContact CE2-CB 4.21Å; Y172-F176 HydrophobicContact CE2-CD2 4.21Å; Y172-F176 HydrophobicContact CE2-CG 4.43Å; Y172-F176 HydrophobicContact CG-CD2 4.36Å; Y172-F176 CarbonylContact O-C 3.47Å; Y172-F176 VanDerWaalsContact O-CA 3.31Å; Y172-F176 WeakPolarHBondContact O-CA 3.19Å; Y172-F176 WeakPolarHBondContact O-CB 3.39Å; Y172-F176 PolarHBondContact O-N 2.79Å; Y172-G177 PolarHBondContact O-N 3.19Å; Y172-G177 VanDerWaalsContact O-N 3.14Å
173	A	84.4	Confident	74.3	Confident	62 Å²	62	88.5 Å²	88.5	51%	0.512	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-39.6	176.3	0	0	0	0	0	112.7	K169 G177	K169-A173 WeakPolarHBondContact O-CB 3.15Å; K169-A173 PolarHBondContact O-N 2.88Å; A173-G177 VanDerWaalsContact O-CA 3.24Å; A173-G177 WeakPolarHBondContact O-CA 3.24Å; A173-G177 PolarHBondContact O-N 2.93Å
174	K	83.1	Confident	73.2	Confident	164 Å²	164	85 Å²	85	71%	0.713	50%	0.495	S	S	*	.	H	α-helix	trans	-67.9	-38.7	179	-76	177.1	180	-169.1	0	113.6	V170 C171 Y172	V170-K174 HydrophobicContact CG1-CD 4.14Å; V170-K174 WeakPolarHBondContact O-CB 3.23Å; V170-K174 WeakPolarHBondContact O-CG 3.3Å; V170-K174 PolarHBondContact O-N 2.87Å; C171-K174 PolarHBondContact O-N 3.16Å; Y172-K174 PolarHBondContact O-N 2.61Å
175	N	80.6	Confident	71.6	Confident	93 Å²	93	91 Å²	91	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-99.7	-30.4	-173	-165.5	73	0	0	0	113.8	L149 C171 Y172	L149-N175 HydrophobicContact CD1-CB 4.31Å; C171-N175 WeakPolarHBondContact O-CB 3.19Å; C171-N175 PolarHBondContact O-N 3.07Å; Y172-N175 PolarHBondContact O-N 3.37Å
176	F	80.6	Confident	70.3	Confident	70 Å²	70	96.6 Å²	96.6	31%	0.307	54%	0.542	S	S	.	.	H	α-helix	trans	-125.7	-2.8	-173.6	-53.4	-75.4	0	0	0	113.5	K162 Y167 Y172	K162-F176 HydrophobicContact CD-CE1 4.31Å; Y167-F176 HydrophobicContact CD1-CE2 4.17Å; Y167-F176 HydrophobicContact CD2-CE2 4.38Å; Y167-F176 AromaticContact CE1-CE2 3.99Å; Y167-F176 HydrophobicContact CE1-CE2 3.99Å; Y167-F176 HydrophobicContact CE1-CZ 4.44Å; Y167-F176 HydrophobicContact CE2-CE2 4.23Å; Y167-F176 HydrophobicContact CG-CE2 4.35Å; Y172-F176 HydrophobicContact CD2-CB 4.34Å; Y172-F176 AromaticContact CD2-CD2 3.83Å; Y172-F176 HydrophobicContact CD2-CD2 3.83Å; Y172-F176 HydrophobicContact CD2-CG 4.43Å; Y172-F176 HydrophobicContact CE1-CB 4.4Å; Y172-F176 HydrophobicContact CE2-CB 4.21Å; Y172-F176 HydrophobicContact CE2-CD2 4.21Å; Y172-F176 HydrophobicContact CE2-CG 4.43Å; Y172-F176 HydrophobicContact CG-CD2 4.36Å; Y172-F176 CarbonylContact O-C 3.47Å; Y172-F176 VanDerWaalsContact O-CA 3.31Å; Y172-F176 WeakPolarHBondContact O-CA 3.19Å; Y172-F176 WeakPolarHBondContact O-CB 3.39Å; Y172-F176 PolarHBondContact O-N 2.79Å
177	G	77	Confident	68.7	Low	21 Å²	21	101 Å²	101	22%	0.216	58%	0.578	C	S	.	*	S	Bend	trans	-67	154.2	170.7	0	0	0	0	0	110.8	Y172 A173 K179	Y172-G177 PolarHBondContact O-N 3.19Å; Y172-G177 VanDerWaalsContact O-N 3.14Å; A173-G177 VanDerWaalsContact O-CA 3.24Å; A173-G177 WeakPolarHBondContact O-CA 3.24Å; A173-G177 PolarHBondContact O-N 2.93Å; G177-K179 PolarHBondContact O-N 2.86Å
178	P	71.6	Confident	67	Low	132 Å²	132	108.2 Å²	108.2	86%	0.857	62%	0.616	S	S	*	*			trans	-56.6	116.1	172.3	24.7	-32.1	0	0	0	107.9	G180	P178-G180 PolarHBondContact O-N 3.38Å
179	K	61	Low	65.7	Low	192 Å²	192	114.7 Å²	114.7	84%	0.835	65%	0.648	S	S	*	*			trans	-69.9	74.8	166.7	-74	179.8	178.1	176.4	0	107.1	G177 F181	G177-K179 PolarHBondContact O-N 2.86Å; K179-F181 PolarHBondContact O-N 2.97Å
180	G	53.3	Low	64.4	Low	67 Å²	67	116.1 Å²	116.1	69%	0.691	66%	0.657	S	S	*	*			trans	-69	114.8	175.8	0	0	0	0	0	109.2	P178 G182	P178-G180 PolarHBondContact O-N 3.38Å; G180-G182 PolarHBondContact O-N 3.38Å
181	F	57.6	Low	63.3	Low	195 Å²	195	118.5 Å²	118.5	86%	0.855	66%	0.662	S	S	*	*			trans	-44	120.9	166.8	-117	-106.5	0	0	0	111	K179 L183	K179-F181 PolarHBondContact O-N 2.97Å; F181-L183 HydrophobicContact CD1-CG 4.41Å
182	G	43.5	Very low	62.2	Low	76 Å²	76	126.7 Å²	126.7	78%	0.784	69%	0.691	S	S	*	*			trans	-108.1	98.5	162.2	0	0	0	0	0	108.6	G180	G180-G182 PolarHBondContact O-N 3.38Å
183	L	51	Low	60.7	Low	166 Å²	166	134 Å²	134	87%	0.869	73%	0.728	S	S	*	*			trans	-72.2	134.4	156.6	-77.9	159	0	0	0	107.6	F181	F181-L183 HydrophobicContact CD1-CG 4.41Å
184	G	47.5	Very low	59.6	Low	67 Å²	67	137.6 Å²	137.6	69%	0.691	74%	0.739	S	S	*	*			trans	136.8	74.4	165.6	0	0	0	0	0	115.1
185	N	39.4	Very low	58.3	Low	173 Å²	173	136.2 Å²	136.2	93%	0.925	74%	0.74	S	S	*	*				-161.1	96.3	128.6	-99.6	-5.6	0	0	0	109.2
186	E	51.2	Low	57.1	Low	197 Å²	197	138.6 Å²	138.6	92%	0.921	75%	0.754	S	S	*	*			trans	-69.1	116	161.7	-177.1	169.2	98.5	0	0	108.5
187	A	51.1	Low	55.7	Low	92 Å²	92	142.6 Å²	142.6	76%	0.76	78%	0.78	S	S	*	*			trans	173.9	93.6	151.1	0	0	0	0	0	111.7
188	M	51.6	Low	54.4	Low	186 Å²	186	150.3 Å²	150.3	92%	0.916	82%	0.815	S	S	*	*			trans	-163.4	94.4	139.6	-107.6	-172.9	148.1	0	0	103.7
189	L	57.8	Low	53.2	Low	148 Å²	148	151.5 Å²	151.5	78%	0.775	81%	0.812	S	S	*	*				30.7	116.5	81.4	-68.5	175.9	0	0	0	109.7
190	E	55.5	Low	52.7	Low	156 Å²	156	148.6 Å²	148.6	73%	0.729	81%	0.811	S	S	*	*			cis	-169.8	138.4	32.7	-170.4	146.8	84.5	0	0	107.5
191	E	60.2	Low	52.6	Low	140 Å²	140	154.8 Å²	154.8	65%	0.654	82%	0.82	S	S	*	*			trans	31	123.7	138.5	-69.2	-153.5	104.1	0	0	119.5
192	R	61.8	Low	52.2	Low	186 Å²	186	151.5 Å²	151.5	70%	0.702	82%	0.817	S	S	*	*				85.7	132.8	90.2	-165	-178.7	140	179.4	-3.1	109.1
193	E	55.7	Low	53	Low	231 Å²	231	158.4 Å²	158.4	100%	1.079	82%	0.82	S	S	*	*			cis	-159.5	0	27.9	-132.2	164.9	126.7	0	0	106.4

Retrieved 193 of 193 residues in 28.8 ms (Link to these results)

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