A0A077Z4M3_TRITR Loading...

Peptidyl-prolyl cis-trans isomerase

AlphaFold DB , UniProt , Accession A0A077Z4M3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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	38.7	Very low	31.8	Very low	252 Å²	252	166.9 Å²	166.9	100%	1.241	86%	0.856	S	S	*	*				0	158.2	0	-80.8	168.7	148.5	0	0	108.7
2	R	34.4	Very low	31.7	Very low	255 Å²	255	165.6 Å²	165.6	96%	0.962	85%	0.851	S	S	*	*			trans	-58.1	154.8	-152.2	-74.3	171.5	174.7	158.2	-3.2	116.9
3	K	27.2	Very low	31.6	Very low	182 Å²	182	163.4 Å²	163.4	79%	0.791	84%	0.839	S	S	*	*			trans	-68.9	162.8	170.6	-73.9	-179.4	161	179.1	0	113.4
4	D	31.2	Very low	31.1	Very low	137 Å²	137	162.4 Å²	162.4	73%	0.733	84%	0.835	S	S	*	*			trans	64.7	114	151.4	-49.1	-32.6	0	0	0	118.6
5	V	37.4	Very low	31.1	Very low	147 Å²	147	158.4 Å²	158.4	89%	0.891	83%	0.827	S	S	*	*				-146.6	125.1	117.9	179.8	0	0	0	0	109.2
6	T	29.6	Very low	31	Very low	121 Å²	121	157.6 Å²	157.6	74%	0.742	82%	0.822	S	S	*	*			trans	-69.2	138.5	-179.4	37.9	0	0	0	0	113.4	E8	T6-E8 PolarHBondContact O-N 2.78Å
7	F	32.5	Very low	30.9	Very low	207 Å²	207	156.6 Å²	156.6	91%	0.908	82%	0.817	S	S	*	*			trans	-72.3	109.5	175.8	-156.3	-101	0	0	0	109.3	G9	F7-G9 PolarHBondContact O-N 3.37Å
8	E	30.8	Very low	31.1	Very low	173 Å²	173	155.3 Å²	155.3	81%	0.808	82%	0.82	S	S	*	*			trans	-56.6	127.1	171.3	-86.2	-80.8	142.8	0	0	109.8	T6 V10	T6-E8 PolarHBondContact O-N 2.78Å; E8-V10 PolarHBondContact O-N 3.2Å
9	G	29	Very low	31.3	Very low	66 Å²	66	151.1 Å²	151.1	68%	0.68	81%	0.805	S	S	*	*			trans	-67.8	120.6	-174.5	0	0	0	0	0	112.2	F7	F7-G9 PolarHBondContact O-N 3.37Å
10	V	32.3	Very low	31.5	Very low	132 Å²	132	152.6 Å²	152.6	80%	0.8	81%	0.811	S	S	*	*			trans	-101.2	80.7	152.1	-177.2	0	0	0	0	106.8	E8	E8-V10 PolarHBondContact O-N 3.2Å
11	L	26.7	Very low	31.7	Very low	164 Å²	164	149 Å²	149	86%	0.859	80%	0.803	S	S	*	*			trans	-92.5	82	167.4	-167.8	81	0	0	0	107.5
12	L	30.8	Very low	31.5	Very low	151 Å²	151	144.2 Å²	144.2	79%	0.791	78%	0.783	S	S	*	*			trans	-114.7	82.8	166.7	-93.3	164.6	0	0	0	109.4
13	I	29.9	Very low	31.8	Very low	137 Å²	137	140.7 Å²	140.7	70%	0.703	78%	0.781	S	S	*	*			trans	41.7	99	136.8	-50.9	175.6	0	0	0	117.2
14	L	25.5	Very low	32.1	Very low	149 Å²	149	134 Å²	134	78%	0.78	76%	0.764	S	S	*	*				34.7	99.5	128.1	-79.8	139.7	0	0	0	118.9	I16	L14-I16 PolarHBondContact O-N 3.2Å
15	S	30.7	Very low	32.4	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	76%	0.755	S	S	*	*				26.4	88.9	125.2	64	0	0	0	0	118.8
16	I	28.7	Very low	32.3	Very low	146 Å²	146	127.8 Å²	127.8	75%	0.749	74%	0.736	S	S	*	*			trans	-149.2	107.1	145.5	-46.6	178.8	0	0	0	104.1	L14	L14-I16 PolarHBondContact O-N 3.2Å
17	L	30	Very low	32.6	Very low	140 Å²	140	129.6 Å²	129.6	73%	0.733	73%	0.73	S	S	*	*				-169.6	116.5	84.2	-80.9	157.4	0	0	0	109.2	S19	L17-S19 PolarHBondContact O-N 3.22Å
18	P	35.4	Very low	32.8	Very low	134 Å²	134	120.5 Å²	120.5	87%	0.87	70%	0.695	S	S	*	*			trans	-83.9	92.9	152.8	32.1	-22.6	0	0	0	107
19	S	33.9	Very low	33.5	Very low	75 Å²	75	118.3 Å²	118.3	52%	0.524	70%	0.699	S	S	.	*			trans	-160.7	64.3	161.1	65.5	0	0	0	0	110.6	L17 A21	L17-S19 PolarHBondContact O-N 3.22Å; S19-A21 PolarHBondContact O-N 3.04Å
20	L	35.9	Very low	34.4	Very low	180 Å²	180	122.4 Å²	122.4	94%	0.942	71%	0.705	S	S	*	*			trans	-68.5	69.8	132.5	-101	77	0	0	0	105.9	D22	L20-D22 PolarHBondContact O-N 2.95Å
21	A	35.5	Very low	34.7	Very low	78 Å²	78	118.5 Å²	118.5	65%	0.645	69%	0.692	S	S	*	*			trans	-72.1	111.5	164	0	0	0	0	0	104.1	S19 I23	S19-A21 PolarHBondContact O-N 3.04Å; A21-I23 PolarHBondContact O-N 3.24Å
22	D	35	Very low	35.4	Very low	152 Å²	152	117.7 Å²	117.7	81%	0.813	68%	0.684	S	S	*	*			trans	-34.5	121.3	174.5	-63.7	-60.5	0	0	0	111.3	L20 G24	L20-D22 PolarHBondContact O-N 2.95Å; D22-G24 PolarHBondContact O-N 2.87Å
23	I	39.4	Very low	36	Very low	180 Å²	180	111.9 Å²	111.9	92%	0.923	66%	0.658	S	S	*	*			trans	-73.5	60.6	153.4	-54.4	173.7	0	0	0	106	A21	A21-I23 PolarHBondContact O-N 3.24Å
24	G	34.5	Very low	36.6	Very low	42 Å²	42	112.6 Å²	112.6	43%	0.433	66%	0.656	S	S	.	*			trans	-81.4	148.4	162.4	0	0	0	0	0	108.1	D22 S26	D22-G24 PolarHBondContact O-N 2.87Å; G24-S26 PolarHBondContact O-N 3.45Å
25	P	36	Very low	37.8	Very low	82 Å²	82	108.3 Å²	108.3	53%	0.532	64%	0.635	S	S	.	*			trans	-55.7	129	-178.6	22	-32	0	0	0	110.8	Y27 A33	P25-Y27 HydrophobicContact CG-CE2 4.48Å; P25-Y27 WeakPolarHBondContact O-CD2 3.24Å; P25-Y27 PolarHBondContact O-N 3.42Å; P25-A33 HydrophobicContact CB-CB 4.35Å
26	S	37.2	Very low	38.7	Very low	72 Å²	72	105.3 Å²	105.3	50%	0.503	62%	0.621	S	S	.	*			trans	-56.6	108.9	174.9	147.8	0	0	0	0	109.8	G24 A33 K34	G24-S26 PolarHBondContact O-N 3.45Å; S26-A33 CarbonylContact O-C 3.57Å; S26-A33 WeakPolarHBondContact O-CA 3.49Å; S26-K34 PolarHBondContact O-N 2.92Å; S26-K34 WeakPolarHBondContact OG-CG 3.32Å
27	Y	35.5	Very low	39.7	Very low	158 Å²	158	106.6 Å²	106.6	62%	0.62	62%	0.624	S	S	*	*	B	Isolated β-bridge	trans	-76.3	122.9	170.5	-70	-84.1	0	0	0	109.4	P25 G31	P25-Y27 HydrophobicContact CG-CE2 4.48Å; P25-Y27 WeakPolarHBondContact O-CD2 3.24Å; P25-Y27 PolarHBondContact O-N 3.42Å; Y27-G31 VanDerWaalsContact CD1-C 3.48Å; Y27-G31 VanDerWaalsContact CD1-O 3.22Å; Y27-G31 WeakPolarHBondContact CD1-O 3.31Å
28	G	35.7	Very low	40.5	Very low	16 Å²	16	104.3 Å²	104.3	17%	0.165	61%	0.612	C	S	.	*			trans	-59.5	164.7	164.8	0	0	0	0	0	110.7	N30 G31 Q32	G28-N30 PolarHBondContact O-N 3.42Å; G28-G31 PolarHBondContact O-N 3.38Å; G28-Q32 PolarHBondContact N-O 2.86Å
29	S	46.5	Very low	41.2	Very low	128 Å²	128	99.1 Å²	99.1	90%	0.895	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50	-16.2	-173.2	-170.1	0	0	0	0	115.8
30	N	47.1	Very low	42.2	Very low	151 Å²	151	98.4 Å²	98.4	81%	0.807	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	23	178.3	-62.7	-15.2	0	0	0	113.6	G28 Q32	G28-N30 PolarHBondContact O-N 3.42Å; N30-Q32 VanDerWaalsContact C-N 3.31Å; N30-Q32 PolarHBondContact O-N 3.07Å
31	G	39.4	Very low	42.7	Very low	51 Å²	51	93 Å²	93	53%	0.526	55%	0.546	S	S	.	.	S	Bend	trans	70.8	21.6	176.8	0	0	0	0	0	114.6	Y27 G28	Y27-G31 VanDerWaalsContact CD1-C 3.48Å; Y27-G31 VanDerWaalsContact CD1-O 3.22Å; Y27-G31 WeakPolarHBondContact CD1-O 3.31Å; G28-G31 PolarHBondContact O-N 3.38Å
32	Q	40	Very low	43.8	Very low	146 Å²	146	96.8 Å²	96.8	68%	0.682	55%	0.554	S	S	*	*			trans	-107.6	128.3	172	-66.1	-169.6	-1.6	0	0	110	G28 N30 K34	G28-Q32 PolarHBondContact N-O 2.86Å; N30-Q32 VanDerWaalsContact C-N 3.31Å; N30-Q32 PolarHBondContact O-N 3.07Å; Q32-K34 PolarHBondContact O-N 3.35Å
33	A	43.7	Very low	44.9	Very low	30 Å²	30	93.3 Å²	93.3	25%	0.248	54%	0.535	C	S	.	.	B	Isolated β-bridge	trans	-48.5	125.4	174.1	0	0	0	0	0	109.8	P25 S26 V35	P25-A33 HydrophobicContact CB-CB 4.35Å; S26-A33 CarbonylContact O-C 3.57Å; S26-A33 WeakPolarHBondContact O-CA 3.49Å; A33-V35 PolarHBondContact O-N 3Å
34	K	43.3	Very low	45.8	Very low	152 Å²	152	91.3 Å²	91.3	66%	0.661	52%	0.521	S	S	*	.			trans	-58.7	103.4	174.6	-68.8	-158.6	178.8	-172.2	0	107.4	S26 Q32 G36	S26-K34 PolarHBondContact O-N 2.92Å; S26-K34 WeakPolarHBondContact OG-CG 3.32Å; Q32-K34 PolarHBondContact O-N 3.35Å; K34-G36 PolarHBondContact O-N 3.1Å; K34-G36 VanDerWaalsContact O-N 3.15Å
35	V	50	Low	47	Very low	58 Å²	58	95.5 Å²	95.5	35%	0.352	53%	0.533	S	S	.	.			trans	-70	105.5	164.7	-177.8	0	0	0	0	103.2	A33 E37 A39 I40	A33-V35 PolarHBondContact O-N 3Å; V35-E37 PolarHBondContact O-N 3.35Å; V35-A39 HydrophobicContact CG1-CB 4.12Å; V35-I40 HydrophobicContact CG1-CG1 4.49Å
36	G	49.9	Very low	47.8	Very low	41 Å²	41	100.7 Å²	100.7	42%	0.423	54%	0.541	S	S	.	.			trans	-51.8	133.8	167.5	0	0	0	0	0	107.3	K34 D38 A39	K34-G36 PolarHBondContact O-N 3.1Å; K34-G36 VanDerWaalsContact O-N 3.15Å; G36-D38 PolarHBondContact O-N 3.1Å; G36-A39 WeakPolarHBondContact O-CB 3.38Å; G36-A39 PolarHBondContact O-N 3.01Å
37	E	50.6	Low	48.4	Very low	172 Å²	172	101.5 Å²	101.5	80%	0.804	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-52.2	-27.3	-178.1	-70.7	172	145.9	0	0	111.5	V35 A39 I40	V35-E37 PolarHBondContact O-N 3.35Å; E37-A39 VanDerWaalsContact C-N 3.31Å; E37-A39 PolarHBondContact O-N 2.89Å; E37-I40 WeakPolarHBondContact O-CG1 3.25Å; E37-I40 PolarHBondContact O-N 3.18Å
38	D	46.4	Very low	49.2	Very low	92 Å²	92	103.2 Å²	103.2	49%	0.492	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-68.3	-19.7	177.3	-52.2	-31.2	0	0	0	114.7	G36 I40 V123	G36-D38 PolarHBondContact O-N 3.1Å; D38-I40 PolarHBondContact O-N 3.4Å; D38-V123 CarbonylContact C-O 3.45Å; D38-V123 WeakPolarHBondContact CB-O 3.44Å; D38-V123 WeakPolarHBondContact O-CB 3.27Å
39	A	49.1	Very low	50.2	Low	25 Å²	25	105.7 Å²	105.7	21%	0.207	59%	0.592	C	S	.	*	G	3₁₀ helix	trans	-84.1	4.9	-179.5	0	0	0	0	0	113.7	V35 G36 E37 P41 N122	V35-A39 HydrophobicContact CG1-CB 4.12Å; G36-A39 WeakPolarHBondContact O-CB 3.38Å; G36-A39 PolarHBondContact O-N 3.01Å; E37-A39 VanDerWaalsContact C-N 3.31Å; E37-A39 PolarHBondContact O-N 2.89Å; A39-P41 WeakPolarHBondContact O-CD 3.46Å; A39-N122 WeakPolarHBondContact CB-OD1 3.35Å
40	I	55	Low	51.4	Low	60 Å²	60	108.7 Å²	108.7	31%	0.308	59%	0.589	S	S	.	*	S	Bend	trans	-85.7	115.6	-177.9	-58.2	174.4	0	0	0	108.4	V35 E37 D38 I42 Y75	V35-I40 HydrophobicContact CG1-CG1 4.49Å; E37-I40 WeakPolarHBondContact O-CG1 3.25Å; E37-I40 PolarHBondContact O-N 3.18Å; D38-I40 PolarHBondContact O-N 3.4Å; I40-I42 PolarHBondContact O-N 2.93Å; I40-Y75 HydrophobicContact CG2-CE1 4.28Å; I40-Y75 WeakPolarHBondContact CG2-OH 3.4Å
41	P	47.6	Very low	52.4	Low	67 Å²	67	107.1 Å²	107.1	44%	0.435	59%	0.587	S	S	.	*			trans	-59.5	126.4	173.3	25.1	-32.8	0	0	0	109.7	A39	A39-P41 WeakPolarHBondContact O-CD 3.46Å
42	I	57.3	Low	54.1	Low	158 Å²	158	108.8 Å²	108.8	81%	0.81	58%	0.582	S	S	*	*			trans	-90.4	115.7	177.1	-57.2	175.8	0	0	0	107.7	I40	I40-I42 PolarHBondContact O-N 2.93Å
43	I	59.1	Low	56.2	Low	78 Å²	78	105.6 Å²	105.6	40%	0.4	57%	0.573	S	S	.	*			trans	-101	113.9	169.5	-59	173	0	0	0	106.6	I45 F94	I43-I45 HydrophobicContact CG2-CG1 3.96Å; I43-F94 HydrophobicContact CD1-CD1 3.82Å; I43-F94 HydrophobicContact CD1-CD2 4.41Å; I43-F94 HydrophobicContact CD1-CE1 3.92Å; I43-F94 HydrophobicContact CD1-CG 4.08Å; I43-F94 HydrophobicContact CD1-CZ 4.27Å; I43-F94 HydrophobicContact CG2-CE1 4.26Å; I43-F94 HydrophobicContact CG2-CE2 4.31Å; I43-F94 HydrophobicContact CG2-CZ 3.83Å
44	E	58.3	Low	58	Low	138 Å²	138	109 Å²	109	65%	0.645	60%	0.595	S	S	*	*			trans	-87	113.8	172.1	-170.8	-178.9	-147.1	0	0	109.1	R46	E44-R46 HydrophobicContact CG-CG 4.34Å; E44-R46 IonicContact OE1-CZ 3.02Å; E44-R46 VanDerWaalsContact OE1-CZ 3.31Å; E44-R46 IonicContact OE1-NE 2.92Å; E44-R46 IonicContact OE1-NH2 2.78Å; E44-R46 PolarHBondContact OE1-NH2 2.76Å; E44-R46 IonicContact OE2-CZ 3.05Å; E44-R46 IonicContact OE2-NE 3.86Å; E44-R46 PolarHBondContact OE2-NE 2.84Å; E44-R46 VanDerWaalsContact OE2-NE 3.12Å; E44-R46 IonicContact OE2-NH2 3.52Å; E44-R46 PolarHBondContact OE2-NH2 2.98Å
45	I	60	Low	59.9	Low	131 Å²	131	105.3 Å²	105.3	67%	0.672	59%	0.593	S	S	*	*			trans	-102.7	117.9	174.7	-57	177	0	0	0	107.7	I43	I43-I45 HydrophobicContact CG2-CG1 3.96Å
46	R	52.5	Low	61.4	Low	190 Å²	190	107.1 Å²	107.1	72%	0.717	60%	0.597	S	S	*	*			trans	-103	117.1	174	-64.6	176.2	-179.2	-99.4	-2.7	108.2	E44	E44-R46 HydrophobicContact CG-CG 4.34Å; E44-R46 IonicContact OE1-CZ 3.02Å; E44-R46 VanDerWaalsContact OE1-CZ 3.31Å; E44-R46 IonicContact OE1-NE 2.92Å; E44-R46 IonicContact OE1-NH2 2.78Å; E44-R46 PolarHBondContact OE1-NH2 2.76Å; E44-R46 IonicContact OE2-CZ 3.05Å; E44-R46 IonicContact OE2-NE 3.86Å; E44-R46 PolarHBondContact OE2-NE 2.84Å; E44-R46 VanDerWaalsContact OE2-NE 3.12Å; E44-R46 IonicContact OE2-NH2 3.52Å; E44-R46 PolarHBondContact OE2-NH2 2.98Å
47	A	49.8	Very low	62.8	Low	90 Å²	90	108.5 Å²	108.5	74%	0.744	59%	0.594	S	S	*	*			trans	-107.8	114.9	172.7	0	0	0	0	0	108.9
48	E	52.6	Low	64.3	Low	194 Å²	194	107.8 Å²	107.8	91%	0.907	58%	0.584	S	S	*	*			trans	-98.5	106.7	169.5	-66.3	-173.9	-177.8	0	0	108.4
49	G	55.3	Low	66	Low	68 Å²	68	105.5 Å²	105.5	70%	0.701	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-77.7	163.3	173	0	0	0	0	0	112
50	K	71.5	Confident	67.5	Low	190 Å²	190	107.6 Å²	107.6	83%	0.826	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-52	136.3	168.4	-175.5	-179.1	-179.6	179.8	0	108.8	M52	K50-M52 PolarHBondContact O-N 3.42Å; K50-M52 VanDerWaalsContact O-N 3.09Å
51	P	69.9	Low	68.7	Low	118 Å²	118	110.6 Å²	110.6	77%	0.766	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-52.6	122.1	178.7	17.1	-30.2	0	0	0	110.6
52	M	74.5	Confident	70.5	Confident	87 Å²	87	113 Å²	113	43%	0.429	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-78.1	146	177.4	-66.1	-175.5	63.1	0	0	109.9	K50 Q56 I57 L60	K50-M52 PolarHBondContact O-N 3.42Å; K50-M52 VanDerWaalsContact O-N 3.09Å; M52-Q56 HydrophobicContact CB-CB 4.34Å; M52-Q56 HydrophobicContact CE-CB 3.46Å; M52-Q56 VanDerWaalsContact CE-CB 3.46Å; M52-Q56 HydrophobicContact CE-CG 4.5Å; M52-I57 HydrophobicContact CB-CD1 4.34Å; M52-I57 HydrophobicContact CB-CG1 3.8Å; M52-L60 HydrophobicContact CE-CD1 3.35Å; M52-L60 HydrophobicContact CE-CG 4.14Å; M52-L60 HydrophobicContact SD-CD1 3.79Å
53	T	83.5	Confident	71.5	Confident	78 Å²	78	112.1 Å²	112.1	48%	0.479	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-66.5	151.3	172.2	64.9	0	0	0	0	110	A55 Q56 I57	T53-A55 PolarHBondContact O-N 3.09Å; T53-A55 VanDerWaalsContact O-N 3.1Å; T53-Q56 WeakPolarHBondContact O-CB 3.48Å; T53-Q56 PolarHBondContact O-N 3.37Å; T53-Q56 VanDerWaalsContact OG1-CD 3.31Å; T53-Q56 VanDerWaalsContact OG1-CG 3.23Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.49Å; T53-Q56 PolarHBondContact OG1-N 3Å; T53-Q56 PolarHBondContact OG1-OE1 3.33Å; T53-I57 PolarHBondContact O-N 2.89Å
54	S	82.6	Confident	72.3	Confident	103 Å²	103	109.6 Å²	109.6	72%	0.72	59%	0.591	S	S	*	*	H	α-helix	trans	-55.5	-31.9	178.7	-50.9	0	0	0	0	112.9	R58	S54-R58 WeakPolarHBondContact O-CB 3.38Å; S54-R58 PolarHBondContact O-N 3.33Å
55	A	82.8	Confident	73.2	Confident	74 Å²	74	106.8 Å²	106.8	61%	0.612	59%	0.592	S	S	*	*	H	α-helix	trans	-67.3	-39.8	175.3	0	0	0	0	0	112.6	T53 A59	T53-A55 PolarHBondContact O-N 3.09Å; T53-A55 VanDerWaalsContact O-N 3.1Å; A55-A59 PolarHBondContact O-N 3.29Å; A55-A59 VanDerWaalsContact O-N 3.07Å
56	Q	81.8	Confident	73.8	Confident	96 Å²	96	104 Å²	104	45%	0.449	60%	0.595	S	S	.	*	H	α-helix	trans	-70.7	-37.7	176.8	-66.8	166.2	-57.7	0	0	111.7	M52 T53 A59 L60	M52-Q56 HydrophobicContact CB-CB 4.34Å; M52-Q56 HydrophobicContact CE-CB 3.46Å; M52-Q56 VanDerWaalsContact CE-CB 3.46Å; M52-Q56 HydrophobicContact CE-CG 4.5Å; T53-Q56 WeakPolarHBondContact O-CB 3.48Å; T53-Q56 PolarHBondContact O-N 3.37Å; T53-Q56 VanDerWaalsContact OG1-CD 3.31Å; T53-Q56 VanDerWaalsContact OG1-CG 3.23Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.49Å; T53-Q56 PolarHBondContact OG1-N 3Å; T53-Q56 PolarHBondContact OG1-OE1 3.33Å; Q56-A59 PolarHBondContact O-N 2.97Å; Q56-L60 WeakPolarHBondContact O-CG 3.23Å; Q56-L60 PolarHBondContact O-N 3.46Å; Q56-L60 VanDerWaalsContact O-N 3.1Å
57	I	78.9	Confident	74.8	Confident	69 Å²	69	102.4 Å²	102.4	35%	0.354	59%	0.593	S	S	.	*	H	α-helix	trans	-60.9	-48.1	174.2	-64.1	170.8	0	0	0	109.7	M52 T53 A59 L60 E61	M52-I57 HydrophobicContact CB-CD1 4.34Å; M52-I57 HydrophobicContact CB-CG1 3.8Å; T53-I57 PolarHBondContact O-N 2.89Å; I57-A59 VanDerWaalsContact C-N 3.33Å; I57-A59 PolarHBondContact O-N 3.24Å; I57-L60 PolarHBondContact O-N 2.86Å; I57-E61 HydrophobicContact CG2-CG 4.22Å; I57-E61 WeakPolarHBondContact CG2-OE1 3.43Å; I57-E61 WeakPolarHBondContact O-CG 3.46Å; I57-E61 PolarHBondContact O-N 3.41Å
58	R	82.7	Confident	75.7	Confident	158 Å²	158	103.5 Å²	103.5	60%	0.596	59%	0.593	S	S	*	*	H	α-helix	trans	-61	-40.8	179.4	-157.7	-176.8	87.2	-166.7	0.5	112.6	S54 E61 E62	S54-R58 WeakPolarHBondContact O-CB 3.38Å; S54-R58 PolarHBondContact O-N 3.33Å; R58-E61 PolarHBondContact O-N 2.83Å; R58-E62 HydrophobicContact CG-CG 4.49Å; R58-E62 IonicContact CZ-OE1 3.43Å; R58-E62 IonicContact NE-OE1 3.12Å; R58-E62 PolarHBondContact NE-OE1 2.81Å; R58-E62 IonicContact NH2-OE1 3.31Å; R58-E62 VanDerWaalsContact O-CB 3.32Å; R58-E62 WeakPolarHBondContact O-CB 3.33Å; R58-E62 VanDerWaalsContact O-CG 3.24Å; R58-E62 WeakPolarHBondContact O-CG 3.36Å; R58-E62 PolarHBondContact O-N 2.79Å
59	A	82.2	Confident	76.3	Confident	44 Å²	44	101 Å²	101	36%	0.364	59%	0.585	S	S	.	*	H	α-helix	trans	-61.2	-44.5	176	0	0	0	0	0	111.7	A55 Q56 I57 E62 D63	A55-A59 PolarHBondContact O-N 3.29Å; A55-A59 VanDerWaalsContact O-N 3.07Å; Q56-A59 PolarHBondContact O-N 2.97Å; I57-A59 VanDerWaalsContact C-N 3.33Å; I57-A59 PolarHBondContact O-N 3.24Å; A59-E62 PolarHBondContact O-N 2.75Å; A59-D63 WeakPolarHBondContact O-CB 3.1Å; A59-D63 PolarHBondContact O-N 3.35Å
60	L	78.9	Confident	76.8	Confident	69 Å²	69	104.7 Å²	104.7	36%	0.361	59%	0.588	S	S	.	*	H	α-helix	trans	-65.4	-39.9	175.8	-71.6	-179.1	0	0	0	112.8	M52 Q56 I57 D63 A64	M52-L60 HydrophobicContact CE-CD1 3.35Å; M52-L60 HydrophobicContact CE-CG 4.14Å; M52-L60 HydrophobicContact SD-CD1 3.79Å; Q56-L60 WeakPolarHBondContact O-CG 3.23Å; Q56-L60 PolarHBondContact O-N 3.46Å; Q56-L60 VanDerWaalsContact O-N 3.1Å; I57-L60 PolarHBondContact O-N 2.86Å; L60-D63 PolarHBondContact O-N 3.33Å; L60-A64 VanDerWaalsContact O-CB 3.25Å; L60-A64 WeakPolarHBondContact O-CB 3.21Å; L60-A64 PolarHBondContact O-N 3.45Å
61	E	81.9	Confident	76.7	Confident	123 Å²	123	102.5 Å²	102.5	58%	0.575	58%	0.584	S	S	*	*	H	α-helix	trans	-66.6	-38.8	176.9	-72.2	174.5	169.8	0	0	112.1	I57 R58 A65 G66	I57-E61 HydrophobicContact CG2-CG 4.22Å; I57-E61 WeakPolarHBondContact CG2-OE1 3.43Å; I57-E61 WeakPolarHBondContact O-CG 3.46Å; I57-E61 PolarHBondContact O-N 3.41Å; R58-E61 PolarHBondContact O-N 2.83Å; E61-A65 PolarHBondContact O-N 2.64Å; E61-G66 PolarHBondContact O-N 3.41Å
62	E	83.6	Confident	76.8	Confident	118 Å²	118	105.3 Å²	105.3	55%	0.551	59%	0.585	S	S	*	*	H	α-helix	trans	-63.1	-47.7	172.7	-76.3	172.3	-162.2	0	0	110.7	R58 A59 A65	R58-E62 HydrophobicContact CG-CG 4.49Å; R58-E62 IonicContact CZ-OE1 3.43Å; R58-E62 IonicContact NE-OE1 3.12Å; R58-E62 PolarHBondContact NE-OE1 2.81Å; R58-E62 IonicContact NH2-OE1 3.31Å; R58-E62 VanDerWaalsContact O-CB 3.32Å; R58-E62 WeakPolarHBondContact O-CB 3.33Å; R58-E62 VanDerWaalsContact O-CG 3.24Å; R58-E62 WeakPolarHBondContact O-CG 3.36Å; R58-E62 PolarHBondContact O-N 2.79Å; A59-E62 PolarHBondContact O-N 2.75Å; E62-A65 WeakPolarHBondContact O-CA 3.3Å; E62-A65 PolarHBondContact O-N 3.05Å
63	D	79.4	Confident	76.7	Confident	139 Å²	139	106.2 Å²	106.2	74%	0.743	60%	0.595	S	S	*	*	H	α-helix	trans	-64.6	-38.7	177.5	-75.4	-18.6	0	0	0	112.5	A59 L60 A65	A59-D63 WeakPolarHBondContact O-CB 3.1Å; A59-D63 PolarHBondContact O-N 3.35Å; L60-D63 PolarHBondContact O-N 3.33Å; D63-A65 PolarHBondContact O-N 3.02Å
64	A	76.2	Confident	76.2	Confident	24 Å²	24	107.2 Å²	107.2	20%	0.198	60%	0.601	C	S	.	*	T	Hydrogen-bonded Turn	trans	-69.7	-9.3	174.3	0	0	0	0	0	112.9	L60 G66 K67	L60-A64 VanDerWaalsContact O-CB 3.25Å; L60-A64 WeakPolarHBondContact O-CB 3.21Å; L60-A64 PolarHBondContact O-N 3.45Å; A64-G66 PolarHBondContact O-N 2.89Å; A64-K67 VanDerWaalsContact O-CB 3.31Å; A64-K67 WeakPolarHBondContact O-CB 3.47Å; A64-K67 PolarHBondContact O-N 3.35Å
65	A	77.8	Confident	75.6	Confident	80 Å²	80	110.8 Å²	110.8	66%	0.661	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.8	39	-177.8	0	0	0	0	0	112.9	E61 E62 D63 K67	E61-A65 PolarHBondContact O-N 2.64Å; E62-A65 WeakPolarHBondContact O-CA 3.3Å; E62-A65 PolarHBondContact O-N 3.05Å; D63-A65 PolarHBondContact O-N 3.02Å; A65-K67 PolarHBondContact O-N 2.87Å
66	G	71.1	Confident	74.9	Confident	72 Å²	72	116.2 Å²	116.2	74%	0.742	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.4	6.7	-178.1	0	0	0	0	0	115.3	E61 A64	E61-G66 PolarHBondContact O-N 3.41Å; A64-G66 PolarHBondContact O-N 2.89Å
67	K	74.9	Confident	74.1	Confident	156 Å²	156	122.3 Å²	122.3	68%	0.678	63%	0.631	S	S	*	*			trans	-71.2	139.1	167.4	-64	178.3	-178.4	179.1	0	108.2	A64 A65 L69	A64-K67 VanDerWaalsContact O-CB 3.31Å; A64-K67 WeakPolarHBondContact O-CB 3.47Å; A64-K67 PolarHBondContact O-N 3.35Å; A65-K67 PolarHBondContact O-N 2.87Å; K67-L69 PolarHBondContact O-N 3.06Å
68	P	68.5	Low	73.5	Confident	113 Å²	113	127.4 Å²	127.4	73%	0.734	65%	0.646	S	S	*	*			trans	-50.6	138.9	164	-20	30.7	0	0	0	108.2	D70	P68-D70 PolarHBondContact O-N 3.16Å
69	L	64.7	Low	72.6	Confident	142 Å²	142	129.3 Å²	129.3	74%	0.743	65%	0.653	S	S	*	*			trans	-58.9	95.9	165.2	-75.5	163.1	0	0	0	106.5	K67 I71	K67-L69 PolarHBondContact O-N 3.06Å; L69-I71 PolarHBondContact O-N 3.15Å
70	D	65.8	Low	71.7	Confident	145 Å²	145	136.9 Å²	136.9	78%	0.775	68%	0.678	S	S	*	*			trans	-77.6	118.8	-173	-166.5	17.9	0	0	0	108.3	P68 K72	P68-D70 PolarHBondContact O-N 3.16Å; D70-K72 PolarHBondContact O-N 3.02Å
71	I	69.5	Low	71.3	Confident	145 Å²	145	140.6 Å²	140.6	74%	0.744	70%	0.698	S	S	*	*			trans	-77.2	93.7	177.6	-58.8	174.5	0	0	0	107	L69 V73	L69-I71 PolarHBondContact O-N 3.15Å; I71-V73 HydrophobicContact CG2-CG2 4.2Å; I71-V73 PolarHBondContact O-N 3.45Å
72	K	71.7	Confident	70.7	Confident	177 Å²	177	138.8 Å²	138.8	77%	0.77	70%	0.698	S	S	*	*			trans	-80.3	104.3	176.6	-171.3	179.9	179.9	179.8	0	110.5	D70 T74	D70-K72 PolarHBondContact O-N 3.02Å; K72-T74 HydrophobicContact CD-CG2 4.38Å; K72-T74 HydrophobicContact CG-CG2 4.16Å
73	V	73.2	Confident	70.3	Confident	105 Å²	105	138.7 Å²	138.7	64%	0.636	72%	0.718	S	S	*	*			trans	-86.2	124.6	172.5	-175.1	0	0	0	0	109.8	I71	I71-V73 HydrophobicContact CG2-CG2 4.2Å; I71-V73 PolarHBondContact O-N 3.45Å
74	T	72	Confident	70	Confident	99 Å²	99	138.8 Å²	138.8	61%	0.607	71%	0.708	S	S	*	*			trans	-122.5	129.4	175.3	56.8	0	0	0	0	111.1	K72 E76	K72-T74 HydrophobicContact CD-CG2 4.38Å; K72-T74 HydrophobicContact CG-CG2 4.16Å; T74-E76 PolarHBondContact O-N 2.73Å
75	Y	70.7	Confident	69.8	Low	179 Å²	179	144.6 Å²	144.6	70%	0.702	72%	0.724	S	S	*	*			trans	-83.4	108.5	172.4	-59.3	-80.9	0	0	0	109.8	I40	I40-Y75 HydrophobicContact CG2-CE1 4.28Å; I40-Y75 WeakPolarHBondContact CG2-OH 3.4Å
76	E	67	Low	69.3	Low	187 Å²	187	144 Å²	144	87%	0.874	72%	0.716	S	S	*	*			trans	-77.9	-49.1	-170.2	-163.1	178.8	-176.3	0	0	113	T74	T74-E76 PolarHBondContact O-N 2.73Å
77	R	65.2	Low	69.1	Low	224 Å²	224	147.3 Å²	147.3	85%	0.845	71%	0.709	S	S	*	*			trans	-165	127	179.8	-167.6	169.5	-77.5	158.4	-5.1	113.3
78	R	65.6	Low	68.6	Low	177 Å²	177	145.7 Å²	145.7	67%	0.668	70%	0.699	S	S	*	*			trans	-80.7	127.1	159.1	-65	179	69.4	-178	1.5	108.4	K80	R78-K80 PolarHBondContact O-N 2.82Å
79	R	63.9	Low	68.6	Low	197 Å²	197	144.5 Å²	144.5	74%	0.743	68%	0.683	S	S	*	*			trans	-58	129.1	169.8	-76.1	-86	-89.2	-153.3	-6.7	108	C82	R79-C82 PolarHBondContact O-SG 3.01Å
80	K	64.3	Low	68.9	Low	203 Å²	203	139.6 Å²	139.6	88%	0.883	66%	0.657	S	S	*	*	S	Bend	trans	-68.7	-30.5	177.5	-68.4	-174.1	178.1	-178.8	0	111.2	R78 C82	R78-K80 PolarHBondContact O-N 2.82Å; K80-C82 PolarHBondContact O-N 3.19Å
81	D	69.6	Low	69.2	Low	147 Å²	147	139.1 Å²	139.1	79%	0.786	65%	0.648	S	S	*	*			trans	-97.8	74	-177.3	-49.4	-36.9	0	0	0	110.2
82	C	69.7	Low	69.4	Low	85 Å²	85	134 Å²	134	57%	0.574	63%	0.627	S	S	*	*			trans	-104	120.8	167.4	-67.7	0	0	0	0	108.6	R79 K80 R84	R79-C82 PolarHBondContact O-SG 3.01Å; K80-C82 PolarHBondContact O-N 3.19Å; C82-R84 PolarHBondContact O-N 3.31Å
83	A	74.9	Confident	69.5	Low	117 Å²	117	129.3 Å²	129.3	97%	0.967	61%	0.613	S	S	*	*	S	Bend	trans	-59.6	-29.3	177.4	0	0	0	0	0	112.6
84	R	74.4	Confident	69.7	Low	141 Å²	141	126.4 Å²	126.4	53%	0.532	59%	0.593	S	S	.	*	S	Bend	trans	-150.4	144	-179.2	-166.5	179.2	64.5	82.1	-13.6	110.3	C82 D90	C82-R84 PolarHBondContact O-N 3.31Å; R84-D90 IonicContact CZ-OD2 3.7Å; R84-D90 IonicContact NH1-OD2 3.22Å; R84-D90 PolarHBondContact NH1-OD2 3.35Å; R84-D90 IonicContact NH2-OD1 3.8Å; R84-D90 IonicContact NH2-OD2 2.66Å; R84-D90 PolarHBondContact NH2-OD2 2.9Å
85	R	70.7	Confident	70.1	Confident	145 Å²	145	126.3 Å²	126.3	55%	0.547	59%	0.585	S	S	.	*			trans	-79.2	136.1	166.5	-172.9	176	175.7	178.2	-3.3	109.4	K87	R85-K87 PolarHBondContact O-N 3.44Å
86	S	67.5	Low	70.6	Confident	68 Å²	68	120.8 Å²	120.8	48%	0.476	56%	0.563	S	S	.	*			trans	-59.8	135.7	172.6	-47.1	0	0	0	0	110.4	D90	S86-D90 WeakPolarHBondContact CA-OD2 3.22Å
87	K	67.9	Low	71.4	Confident	141 Å²	141	117.5 Å²	117.5	61%	0.613	55%	0.548	S	S	*	.			trans	-105.5	165.5	178.5	-66.8	-177	178.4	-177.3	0	109.9	R85 K89 D90	R85-K87 PolarHBondContact O-N 3.44Å; K87-K89 PolarHBondContact O-N 3.33Å; K87-D90 PolarHBondContact N-OD2 2.99Å; K87-D90 VanDerWaalsContact O-CB 3.25Å; K87-D90 WeakPolarHBondContact O-CB 3.38Å; K87-D90 PolarHBondContact O-N 2.75Å
88	R	64.1	Low	72.2	Confident	122 Å²	122	107.3 Å²	107.3	46%	0.46	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	137.3	171.3	-167.7	178.8	86.3	111.1	-12.3	109.7	D90 V120 N122	R88-D90 VanDerWaalsContact C-N 3.26Å; R88-D90 PolarHBondContact O-N 3.12Å; R88-V120 WeakPolarHBondContact CA-O 3.42Å; R88-N122 HydrophobicContact CB-CB 4.22Å; R88-N122 HydrophobicContact CG-CB 4.38Å
89	K	68.2	Low	72.9	Confident	89 Å²	89	103.7 Å²	103.7	39%	0.387	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	5.5	-176.3	-53.5	-167	177.7	-168.6	0	115.5	K87 N119 V120 E158	K87-K89 PolarHBondContact O-N 3.33Å; K89-N119 VanDerWaalsContact CA-OD1 3.23Å; K89-N119 WeakPolarHBondContact CA-OD1 3.32Å; K89-V120 PolarHBondContact N-O 3.09Å; K89-V120 VanDerWaalsContact N-O 3.09Å; K89-E158 IonicContact NZ-OE1 2.75Å; K89-E158 PolarHBondContact NZ-OE1 2.92Å
90	D	71.1	Confident	73.6	Confident	38 Å²	38	98.8 Å²	98.8	20%	0.203	49%	0.491	C	S	.	.			trans	-76.2	152.2	167.8	-74.7	-12.2	0	0	0	110.8	R84 S86 K87 R88 V120	R84-D90 IonicContact CZ-OD2 3.7Å; R84-D90 IonicContact NH1-OD2 3.22Å; R84-D90 PolarHBondContact NH1-OD2 3.35Å; R84-D90 IonicContact NH2-OD1 3.8Å; R84-D90 IonicContact NH2-OD2 2.66Å; R84-D90 PolarHBondContact NH2-OD2 2.9Å; S86-D90 WeakPolarHBondContact CA-OD2 3.22Å; K87-D90 PolarHBondContact N-OD2 2.99Å; K87-D90 VanDerWaalsContact O-CB 3.25Å; K87-D90 WeakPolarHBondContact O-CB 3.38Å; K87-D90 PolarHBondContact O-N 2.75Å; R88-D90 VanDerWaalsContact C-N 3.26Å; R88-D90 PolarHBondContact O-N 3.12Å; D90-V120 WeakPolarHBondContact O-CG2 3.47Å; D90-V120 PolarHBondContact O-N 3.44Å
91	F	71.5	Confident	74.2	Confident	136 Å²	136	98.6 Å²	98.6	60%	0.596	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.2	169.7	-67.1	-87.4	0	0	0	110.2	E117 N119	F91-E117 HydrophobicContact CD1-CB 4.2Å; F91-N119 HydrophobicContact CE1-CB 4.46Å
92	A	75	Confident	74.7	Confident	36 Å²	36	95.3 Å²	95.3	30%	0.298	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.5	170.3	0	0	0	0	0	108.9	V118 V120	A92-V118 PolarHBondContact N-O 3.33Å; A92-V118 PolarHBondContact O-N 3.24Å; A92-V120 HydrophobicContact CB-CG2 3.83Å
93	T	74	Confident	75.2	Confident	79 Å²	79	93.5 Å²	93.5	49%	0.485	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.8	169.5	-62.3	0	0	0	0	109.3	T115 F116	T93-T115 HydrophobicContact CG2-CG2 3.17Å; T93-F116 WeakPolarHBondContact CA-O 3.49Å
94	F	76.2	Confident	75.5	Confident	45 Å²	45	93.7 Å²	93.7	20%	0.197	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.2	171.1	76.9	-90.7	0	0	0	111.9	I43 F116 V118	I43-F94 HydrophobicContact CD1-CD1 3.82Å; I43-F94 HydrophobicContact CD1-CD2 4.41Å; I43-F94 HydrophobicContact CD1-CE1 3.92Å; I43-F94 HydrophobicContact CD1-CG 4.08Å; I43-F94 HydrophobicContact CD1-CZ 4.27Å; I43-F94 HydrophobicContact CG2-CE1 4.26Å; I43-F94 HydrophobicContact CG2-CE2 4.31Å; I43-F94 HydrophobicContact CG2-CZ 3.83Å; F94-F116 HydrophobicContact CD1-CB 3.69Å; F94-F116 HydrophobicContact CD2-CD2 4.49Å; F94-F116 HydrophobicContact CE1-CB 3.2Å; F94-F116 AromaticContact CE1-CG 3.92Å; F94-F116 HydrophobicContact CE1-CG 3.92Å; F94-F116 HydrophobicContact CE2-CB 4.11Å; F94-F116 AromaticContact CE2-CD2 3.93Å; F94-F116 HydrophobicContact CE2-CD2 3.93Å; F94-F116 HydrophobicContact CE2-CG 4.09Å; F94-F116 HydrophobicContact CG-CB 4.32Å; F94-F116 HydrophobicContact CZ-CB 3.45Å; F94-F116 VanDerWaalsContact CZ-CB 3.45Å; F94-F116 HydrophobicContact CZ-CD1 4.25Å; F94-F116 AromaticContact CZ-CD2 3.95Å; F94-F116 HydrophobicContact CZ-CD2 3.95Å; F94-F116 AromaticContact CZ-CG 3.61Å; F94-F116 HydrophobicContact CZ-CG 3.61Å; F94-F116 PolarHBondContact N-O 3.36Å; F94-V118 HydrophobicContact CD1-CG2 3.68Å; F94-V118 HydrophobicContact CE1-CG2 3.34Å
95	H	80.1	Confident	75.8	Confident	97 Å²	97	91 Å²	91	45%	0.449	47%	0.47	S	S	.	.			trans	-112.3	143.8	171.7	-70.9	-59.8	0	0	0	108.3	S109 H110	H95-S109 WeakPolarHBondContact CA-OG 3.4Å; H95-S109 WeakPolarHBondContact CB-OG 3.29Å; H95-S109 PolarHBondContact ND1-OG 3.49Å; H95-S109 VanDerWaalsContact ND1-OG 3.1Å; H95-H110 AromaticContact CD2-NE2 3.89Å; H95-H110 AromaticContact CG-CE1 3.88Å; H95-H110 AromaticContact CG-NE2 3.8Å
96	Y	81.3	Confident	76.4	Confident	62 Å²	62	89.9 Å²	89.9	24%	0.243	47%	0.47	C	S	.	.			trans	-118.2	148.6	177.8	76.1	-98.6	0	0	0	110.3	D107 S108 S109 F116	Y96-D107 HydrophobicContact CE2-CB 4.23Å; Y96-D107 WeakPolarHBondContact CE2-OD2 3.18Å; Y96-D107 PolarHBondContact OH-OD2 2.94Å; Y96-S108 CarbonylContact O-C 3.57Å; Y96-S108 VanDerWaalsContact O-CA 3.3Å; Y96-S108 WeakPolarHBondContact O-CA 3.44Å; Y96-S109 PolarHBondContact N-OG 3.21Å; Y96-S109 PolarHBondContact O-N 3.15Å; Y96-S109 PolarHBondContact O-OG 3.1Å; Y96-F116 HydrophobicContact CD1-CD2 4.26Å; Y96-F116 AromaticContact CD1-CE2 3.53Å; Y96-F116 HydrophobicContact CD1-CE2 3.53Å; Y96-F116 HydrophobicContact CD1-CZ 4.24Å; Y96-F116 AromaticContact CE1-CE2 3.45Å; Y96-F116 HydrophobicContact CE1-CE2 3.45Å; Y96-F116 VanDerWaalsContact CE1-CE2 3.45Å; Y96-F116 AromaticContact CE1-CZ 3.83Å; Y96-F116 HydrophobicContact CE1-CZ 3.83Å
97	E	83.5	Confident	76.9	Confident	118 Å²	118	88.5 Å²	88.5	55%	0.551	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.7	170.5	-67.4	-176.9	173.9	0	0	107.6	L105 H110	E97-L105 HydrophobicContact CB-CD1 4.04Å; E97-H110 IonicContact OE1-ND1 3.54Å
98	G	81.9	Confident	77.6	Confident	11 Å²	11	82.7 Å²	82.7	11%	0.113	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.2	179.5	0	0	0	0	0	110.3	L105 F106 D107	G98-L105 WeakPolarHBondContact O-CA 3.13Å; G98-F106 WeakPolarHBondContact O-CD1 3.5Å; G98-F106 PolarHBondContact O-N 3.03Å; G98-D107 PolarHBondContact N-O 3.22Å; G98-D107 PolarHBondContact O-N 3.35Å
99	H	80.3	Confident	78.4	Confident	100 Å²	100	76.9 Å²	76.9	46%	0.463	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.9	173.8	-65.3	-96.2	0	0	0	110.8	G103 L104	H99-G103 PolarHBondContact ND1-O 3.37Å; H99-L104 WeakPolarHBondContact CA-O 3.2Å
100	L	79.5	Confident	79	Confident	94 Å²	94	77.7 Å²	77.7	49%	0.492	42%	0.417	S	S	.	.			trans	-75.4	167.2	167.2	-60.9	173.8	0	0	0	109.9	G102 G103 L104 F106	L100-G102 PolarHBondContact O-N 3.29Å; L100-G103 PolarHBondContact O-N 3.23Å; L100-L104 HydrophobicContact CD1-CB 4.48Å; L100-L104 HydrophobicContact CD1-CD2 4.25Å; L100-L104 PolarHBondContact N-O 3.43Å; L100-F106 HydrophobicContact CD1-CB 4.45Å; L100-F106 HydrophobicContact CD2-CB 4.4Å; L100-F106 HydrophobicContact CD2-CD1 3.97Å; L100-F106 HydrophobicContact CD2-CG 4.37Å; L100-F106 HydrophobicContact CG-CB 4.14Å; L100-F106 HydrophobicContact CG-CD1 4.08Å; L100-F106 HydrophobicContact CG-CG 4.48Å
101	E	77.8	Confident	79.2	Confident	199 Å²	199	78.9 Å²	78.9	93%	0.93	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.1	179.9	-66	-175.7	160.3	0	0	113.9	G103	E101-G103 VanDerWaalsContact C-N 3.29Å; E101-G103 PolarHBondContact O-N 3.36Å
102	G	79.6	Confident	79.4	Confident	78 Å²	78	77.8 Å²	77.8	80%	0.804	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	6.2	175.9	0	0	0	0	0	115.6	L100 L104	L100-G102 PolarHBondContact O-N 3.29Å; G102-L104 PolarHBondContact O-N 3.25Å
103	G	79.3	Confident	79.3	Confident	48 Å²	48	87.3 Å²	87.3	50%	0.495	46%	0.463	S	S	.	.	S	Bend	trans	77.8	-1.6	-175.5	0	0	0	0	0	114.7	H99 L100 E101 L105	H99-G103 PolarHBondContact ND1-O 3.37Å; L100-G103 PolarHBondContact O-N 3.23Å; E101-G103 VanDerWaalsContact C-N 3.29Å; E101-G103 PolarHBondContact O-N 3.36Å; G103-L105 PolarHBondContact O-N 2.84Å
104	L	81	Confident	79.1	Confident	120 Å²	120	87.1 Å²	87.1	63%	0.628	46%	0.459	S	S	*	.			trans	-66.3	121.5	176.4	-176.5	66	0	0	0	110	H99 L100 G102 F106	H99-L104 WeakPolarHBondContact CA-O 3.2Å; L100-L104 HydrophobicContact CD1-CB 4.48Å; L100-L104 HydrophobicContact CD1-CD2 4.25Å; L100-L104 PolarHBondContact N-O 3.43Å; G102-L104 PolarHBondContact O-N 3.25Å; L104-F106 PolarHBondContact O-N 2.9Å
105	L	82	Confident	78.9	Confident	85 Å²	85	88.7 Å²	88.7	45%	0.445	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.5	172	-173.1	78.2	0	0	0	108.9	E97 G98 G103 D107	E97-L105 HydrophobicContact CB-CD1 4.04Å; G98-L105 WeakPolarHBondContact O-CA 3.13Å; G103-L105 PolarHBondContact O-N 2.84Å; L105-D107 WeakPolarHBondContact CD1-O 3.17Å
106	F	81.8	Confident	78.5	Confident	121 Å²	121	87.6 Å²	87.6	53%	0.531	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-29.8	175.3	75.5	-95.5	0	0	0	112.4	G98 L100 L104	G98-F106 WeakPolarHBondContact O-CD1 3.5Å; G98-F106 PolarHBondContact O-N 3.03Å; L100-F106 HydrophobicContact CD1-CB 4.45Å; L100-F106 HydrophobicContact CD2-CB 4.4Å; L100-F106 HydrophobicContact CD2-CD1 3.97Å; L100-F106 HydrophobicContact CD2-CG 4.37Å; L100-F106 HydrophobicContact CG-CB 4.14Å; L100-F106 HydrophobicContact CG-CD1 4.08Å; L100-F106 HydrophobicContact CG-CG 4.48Å; L104-F106 PolarHBondContact O-N 2.9Å
107	D	79.3	Confident	78	Confident	39 Å²	39	91.3 Å²	91.3	21%	0.209	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.6	-178.8	-168.4	13.9	0	0	0	111.3	Y96 G98 L105 H112	Y96-D107 HydrophobicContact CE2-CB 4.23Å; Y96-D107 WeakPolarHBondContact CE2-OD2 3.18Å; Y96-D107 PolarHBondContact OH-OD2 2.94Å; G98-D107 PolarHBondContact N-O 3.22Å; G98-D107 PolarHBondContact O-N 3.35Å; L105-D107 WeakPolarHBondContact CD1-O 3.17Å; D107-H112 IonicContact OD1-CD2 2.84Å; D107-H112 PolarHBondContact OD1-CD2 2.85Å; D107-H112 IonicContact OD1-NE2 3.54Å; D107-H112 PolarHBondContact OD1-NE2 3.36Å
108	S	82.6	Confident	77.3	Confident	19 Å²	19	87.7 Å²	87.7	13%	0.133	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	144.9	169.5	67	0	0	0	0	110.8	Y96 H110 G111 H112	Y96-S108 CarbonylContact O-C 3.57Å; Y96-S108 VanDerWaalsContact O-CA 3.3Å; Y96-S108 WeakPolarHBondContact O-CA 3.44Å; S108-H110 PolarHBondContact O-N 3.19Å; S108-H110 VanDerWaalsContact O-N 3.15Å; S108-G111 PolarHBondContact O-N 3.26Å; S108-G111 PolarHBondContact OG-N 3.36Å; S108-G111 VanDerWaalsContact OG-N 3.16Å; S108-H112 PolarHBondContact O-N 2.98Å
109	S	80.6	Confident	76.6	Confident	1 Å²	1	90 Å²	90	1%	0.007	48%	0.482	C	S	.	.	H	α-helix	trans	-58.5	-29.3	173	58.1	0	0	0	0	112.7	H95 Y96 G111 H112 W113 I114	H95-S109 WeakPolarHBondContact CA-OG 3.4Å; H95-S109 WeakPolarHBondContact CB-OG 3.29Å; H95-S109 PolarHBondContact ND1-OG 3.49Å; H95-S109 VanDerWaalsContact ND1-OG 3.1Å; Y96-S109 PolarHBondContact N-OG 3.21Å; Y96-S109 PolarHBondContact O-N 3.15Å; Y96-S109 PolarHBondContact O-OG 3.1Å; S109-G111 VanDerWaalsContact C-N 3.34Å; S109-H112 PolarHBondContact O-N 3.26Å; S109-W113 PolarHBondContact O-N 3.21Å; S109-I114 WeakPolarHBondContact CB-O 3.47Å; S109-I114 PolarHBondContact O-N 2.84Å
110	H	80.8	Confident	76	Confident	105 Å²	105	86.3 Å²	86.3	49%	0.486	47%	0.466	S	S	.	.	H	α-helix	trans	-65.2	-36.6	176.2	-63.6	103.6	0	0	0	112.3	H95 E97 S108 H112	H95-H110 AromaticContact CD2-NE2 3.89Å; H95-H110 AromaticContact CG-CE1 3.88Å; H95-H110 AromaticContact CG-NE2 3.8Å; E97-H110 IonicContact OE1-ND1 3.54Å; S108-H110 PolarHBondContact O-N 3.19Å; S108-H110 VanDerWaalsContact O-N 3.15Å; H110-H112 VanDerWaalsContact C-N 3.32Å
111	G	76.1	Confident	75.2	Confident	63 Å²	63	86.6 Å²	86.6	65%	0.649	47%	0.467	S	S	*	.	H	α-helix	trans	-68.4	-30.6	176.7	0	0	0	0	0	113.4	S108 S109	S108-G111 PolarHBondContact O-N 3.26Å; S108-G111 PolarHBondContact OG-N 3.36Å; S108-G111 VanDerWaalsContact OG-N 3.16Å; S109-G111 VanDerWaalsContact C-N 3.34Å
112	H	75.8	Confident	74.3	Confident	113 Å²	113	79.7 Å²	79.7	52%	0.523	44%	0.437	S	S	.	.	H	α-helix	trans	-94.9	-7	-179.9	-71	-79.4	0	0	0	114.3	D107 S108 S109 H110 I114	D107-H112 IonicContact OD1-CD2 2.84Å; D107-H112 PolarHBondContact OD1-CD2 2.85Å; D107-H112 IonicContact OD1-NE2 3.54Å; D107-H112 PolarHBondContact OD1-NE2 3.36Å; S108-H112 PolarHBondContact O-N 2.98Å; S109-H112 PolarHBondContact O-N 3.26Å; H110-H112 VanDerWaalsContact C-N 3.32Å; H112-I114 HydrophobicContact CB-CB 4.43Å; H112-I114 HydrophobicContact CB-CD1 3.72Å; H112-I114 HydrophobicContact CB-CG1 3.83Å; H112-I114 PolarHBondContact O-N 3.21Å
113	W	71.3	Confident	73.3	Confident	237 Å²	237	80.2 Å²	80.2	90%	0.898	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.2	-172.8	-134.8	-68.5	0	0	0	112.9	S109	S109-W113 PolarHBondContact O-N 3.21Å
114	I	69.4	Low	72.4	Confident	75 Å²	75	82.9 Å²	82.9	39%	0.385	42%	0.423	S	S	.	.			trans	-100.4	133	179.7	-62.2	171.4	0	0	0	109	S109 H112 F116	S109-I114 WeakPolarHBondContact CB-O 3.47Å; S109-I114 PolarHBondContact O-N 2.84Å; H112-I114 HydrophobicContact CB-CB 4.43Å; H112-I114 HydrophobicContact CB-CD1 3.72Å; H112-I114 HydrophobicContact CB-CG1 3.83Å; H112-I114 PolarHBondContact O-N 3.21Å; I114-F116 HydrophobicContact CB-CE2 4.43Å; I114-F116 HydrophobicContact CG2-CD2 4.25Å; I114-F116 HydrophobicContact CG2-CE1 4.09Å; I114-F116 HydrophobicContact CG2-CE2 3.68Å; I114-F116 HydrophobicContact CG2-CZ 3.61Å
115	T	72.6	Confident	71.4	Confident	78 Å²	78	80.9 Å²	80.9	48%	0.479	42%	0.418	S	S	.	.			trans	-117	123	175.4	-56	0	0	0	0	107.8	T93	T93-T115 HydrophobicContact CG2-CG2 3.17Å
116	F	72.2	Confident	70.7	Confident	74 Å²	74	85.6 Å²	85.6	33%	0.325	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.8	174.7	-60.7	-87.9	0	0	0	109.2	T93 F94 Y96 I114	T93-F116 WeakPolarHBondContact CA-O 3.49Å; F94-F116 HydrophobicContact CD1-CB 3.69Å; F94-F116 HydrophobicContact CD2-CD2 4.49Å; F94-F116 HydrophobicContact CE1-CB 3.2Å; F94-F116 AromaticContact CE1-CG 3.92Å; F94-F116 HydrophobicContact CE1-CG 3.92Å; F94-F116 HydrophobicContact CE2-CB 4.11Å; F94-F116 AromaticContact CE2-CD2 3.93Å; F94-F116 HydrophobicContact CE2-CD2 3.93Å; F94-F116 HydrophobicContact CE2-CG 4.09Å; F94-F116 HydrophobicContact CG-CB 4.32Å; F94-F116 HydrophobicContact CZ-CB 3.45Å; F94-F116 VanDerWaalsContact CZ-CB 3.45Å; F94-F116 HydrophobicContact CZ-CD1 4.25Å; F94-F116 AromaticContact CZ-CD2 3.95Å; F94-F116 HydrophobicContact CZ-CD2 3.95Å; F94-F116 AromaticContact CZ-CG 3.61Å; F94-F116 HydrophobicContact CZ-CG 3.61Å; F94-F116 PolarHBondContact N-O 3.36Å; Y96-F116 HydrophobicContact CD1-CD2 4.26Å; Y96-F116 AromaticContact CD1-CE2 3.53Å; Y96-F116 HydrophobicContact CD1-CE2 3.53Å; Y96-F116 HydrophobicContact CD1-CZ 4.24Å; Y96-F116 AromaticContact CE1-CE2 3.45Å; Y96-F116 HydrophobicContact CE1-CE2 3.45Å; Y96-F116 VanDerWaalsContact CE1-CE2 3.45Å; Y96-F116 AromaticContact CE1-CZ 3.83Å; Y96-F116 HydrophobicContact CE1-CZ 3.83Å; I114-F116 HydrophobicContact CB-CE2 4.43Å; I114-F116 HydrophobicContact CG2-CD2 4.25Å; I114-F116 HydrophobicContact CG2-CE1 4.09Å; I114-F116 HydrophobicContact CG2-CE2 3.68Å; I114-F116 HydrophobicContact CG2-CZ 3.61Å
117	E	70.4	Confident	70.5	Confident	139 Å²	139	82 Å²	82	65%	0.65	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.6	172.2	-66.1	-173.1	159.8	0	0	108.9	F91	F91-E117 HydrophobicContact CD1-CB 4.2Å
118	V	70.1	Confident	70.6	Confident	43 Å²	43	82.5 Å²	82.5	26%	0.261	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.1	175.5	-176.2	0	0	0	0	108.4	A92 F94 V120	A92-V118 PolarHBondContact N-O 3.33Å; A92-V118 PolarHBondContact O-N 3.24Å; F94-V118 HydrophobicContact CD1-CG2 3.68Å; F94-V118 HydrophobicContact CE1-CG2 3.34Å; V118-V120 PolarHBondContact O-N 3.03Å
119	N	65.8	Low	70.3	Confident	60 Å²	60	88.3 Å²	88.3	32%	0.321	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	123.1	169.1	-173.1	-13.2	0	0	0	109	K89 F91 L121	K89-N119 VanDerWaalsContact CA-OD1 3.23Å; K89-N119 WeakPolarHBondContact CA-OD1 3.32Å; F91-N119 HydrophobicContact CE1-CB 4.46Å; N119-L121 VanDerWaalsContact C-N 3.31Å; N119-L121 PolarHBondContact O-N 3.45Å
120	V	67.4	Low	70.3	Confident	21 Å²	21	91.3 Å²	91.3	13%	0.127	47%	0.465	C	S	.	.			trans	-70.7	93.2	172.9	-177.5	0	0	0	0	108	R88 K89 D90 A92 V118 N122	R88-V120 WeakPolarHBondContact CA-O 3.42Å; K89-V120 PolarHBondContact N-O 3.09Å; K89-V120 VanDerWaalsContact N-O 3.09Å; D90-V120 WeakPolarHBondContact O-CG2 3.47Å; D90-V120 PolarHBondContact O-N 3.44Å; A92-V120 HydrophobicContact CB-CG2 3.83Å; V118-V120 PolarHBondContact O-N 3.03Å; V120-N122 PolarHBondContact O-N 3.07Å
121	L	62.6	Low	70.1	Confident	101 Å²	101	90.4 Å²	90.4	53%	0.529	46%	0.461	S	S	.	.			trans	-78.7	112.2	165.4	-59.2	-179.6	0	0	0	107.2	N119 V123	N119-L121 VanDerWaalsContact C-N 3.31Å; N119-L121 PolarHBondContact O-N 3.45Å; L121-V123 HydrophobicContact CB-CG2 4.48Å; L121-V123 PolarHBondContact O-N 3.45Å
122	N	59.3	Low	70.3	Confident	54 Å²	54	93.1 Å²	93.1	29%	0.289	46%	0.455	S	S	.	.			trans	-78.1	106.8	159	-161.8	38	0	0	0	105.8	A39 R88 V120 E124	A39-N122 WeakPolarHBondContact CB-OD1 3.35Å; R88-N122 HydrophobicContact CB-CB 4.22Å; R88-N122 HydrophobicContact CG-CB 4.38Å; V120-N122 PolarHBondContact O-N 3.07Å; N122-E124 VanDerWaalsContact ND2-CG 3.29Å; N122-E124 WeakPolarHBondContact ND2-CG 3.38Å; N122-E124 PolarHBondContact ND2-OE1 2.77Å; N122-E124 PolarHBondContact O-N 2.8Å
123	V	58	Low	70.6	Confident	88 Å²	88	95.2 Å²	95.2	53%	0.533	46%	0.463	S	S	.	.			trans	-84.5	92.8	169.4	-174.1	0	0	0	0	105.9	D38 L121	D38-V123 CarbonylContact C-O 3.45Å; D38-V123 WeakPolarHBondContact CB-O 3.44Å; D38-V123 WeakPolarHBondContact O-CB 3.27Å; L121-V123 HydrophobicContact CB-CG2 4.48Å; L121-V123 PolarHBondContact O-N 3.45Å
124	E	60.5	Low	70.9	Confident	104 Å²	104	89 Å²	89	49%	0.486	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-76	140.5	164.8	-66.7	176.9	-168.2	0	0	107.6	N122 W126 L130	N122-E124 VanDerWaalsContact ND2-CG 3.29Å; N122-E124 WeakPolarHBondContact ND2-CG 3.38Å; N122-E124 PolarHBondContact ND2-OE1 2.77Å; N122-E124 PolarHBondContact O-N 2.8Å; E124-W126 PolarHBondContact O-N 2.66Å; E124-L130 HydrophobicContact CB-CD1 4.17Å
125	P	60.4	Low	71.4	Confident	78 Å²	78	88 Å²	88	51%	0.506	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-56.1	136.5	174.8	22.8	-31.9	0	0	0	109.4	T127	P125-T127 PolarHBondContact O-N 2.84Å
126	W	68.8	Low	71.8	Confident	184 Å²	184	85 Å²	85	70%	0.697	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-59.8	128.7	178.4	-176.9	92.5	0	0	0	109.7	E124 Q131	E124-W126 PolarHBondContact O-N 2.66Å; W126-Q131 VanDerWaalsContact CZ2-OE1 3.22Å
127	T	77.3	Confident	71.8	Confident	47 Å²	47	84.7 Å²	84.7	29%	0.288	42%	0.421	S	S	.	.			trans	-136.5	148.7	173.2	60.7	0	0	0	0	108.9	P125 E129 L130 Q131	P125-T127 PolarHBondContact O-N 2.84Å; T127-E129 WeakPolarHBondContact CB-OE2 3.25Å; T127-E129 PolarHBondContact O-N 2.84Å; T127-L130 PolarHBondContact O-N 3.18Å; T127-L130 VanDerWaalsContact OG1-CB 3.27Å; T127-L130 WeakPolarHBondContact OG1-CB 2.95Å; T127-L130 WeakPolarHBondContact OG1-CD1 3.23Å; T127-L130 WeakPolarHBondContact OG1-CG 3.16Å; T127-L130 PolarHBondContact OG1-N 3.43Å; T127-Q131 PolarHBondContact O-N 3.48Å
128	S	79.9	Confident	72.2	Confident	49 Å²	49	82 Å²	82	34%	0.343	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-37.9	177.8	-58.8	0	0	0	0	110.7	Q131 F132	S128-Q131 WeakPolarHBondContact O-CB 3.4Å; S128-Q131 PolarHBondContact O-N 3.41Å; S128-F132 WeakPolarHBondContact O-CD2 3.5Å; S128-F132 WeakPolarHBondContact O-CG 3.32Å; S128-F132 PolarHBondContact O-N 3.4Å
129	E	78	Confident	72.6	Confident	140 Å²	140	85.8 Å²	85.8	65%	0.654	43%	0.434	S	S	*	.	H	α-helix	trans	-64.2	-42.9	179.2	-60.7	76.7	-167.9	0	0	112.5	T127 Q131 F132 K133	T127-E129 WeakPolarHBondContact CB-OE2 3.25Å; T127-E129 PolarHBondContact O-N 2.84Å; E129-Q131 VanDerWaalsContact C-N 3.35Å; E129-F132 PolarHBondContact O-N 2.93Å; E129-K133 WeakPolarHBondContact O-CB 3.37Å; E129-K133 PolarHBondContact O-N 2.95Å
130	L	78.8	Confident	73.5	Confident	65 Å²	65	86.7 Å²	86.7	34%	0.34	44%	0.439	S	S	.	.	H	α-helix	trans	-68	-36.8	175.4	-72.2	174.2	0	0	0	111.6	E124 T127 K133 E134	E124-L130 HydrophobicContact CB-CD1 4.17Å; T127-L130 PolarHBondContact O-N 3.18Å; T127-L130 VanDerWaalsContact OG1-CB 3.27Å; T127-L130 WeakPolarHBondContact OG1-CB 2.95Å; T127-L130 WeakPolarHBondContact OG1-CD1 3.23Å; T127-L130 WeakPolarHBondContact OG1-CG 3.16Å; T127-L130 PolarHBondContact OG1-N 3.43Å; L130-K133 PolarHBondContact O-N 3.26Å; L130-E134 WeakPolarHBondContact O-CB 3.5Å; L130-E134 PolarHBondContact O-N 2.94Å
131	Q	77.6	Confident	74.3	Confident	85 Å²	85	88.7 Å²	88.7	40%	0.397	46%	0.464	S	S	.	.	H	α-helix	trans	-63.5	-47.7	174.6	-174.8	-177.9	31.2	0	0	111.2	W126 T127 S128 E129 K133 E134 M135	W126-Q131 VanDerWaalsContact CZ2-OE1 3.22Å; T127-Q131 PolarHBondContact O-N 3.48Å; S128-Q131 WeakPolarHBondContact O-CB 3.4Å; S128-Q131 PolarHBondContact O-N 3.41Å; E129-Q131 VanDerWaalsContact C-N 3.35Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 2.94Å; Q131-E134 PolarHBondContact O-N 2.75Å; Q131-M135 HydrophobicContact CG-SD 4.07Å; Q131-M135 WeakPolarHBondContact O-CG 3.49Å; Q131-M135 PolarHBondContact O-N 3Å
132	F	81.2	Confident	75.1	Confident	120 Å²	120	92 Å²	92	53%	0.526	47%	0.47	S	S	.	.	H	α-helix	trans	-59.2	-43.2	175.8	-78.2	-63.3	0	0	0	111.3	S128 E129 E134 M135 D136	S128-F132 WeakPolarHBondContact O-CD2 3.5Å; S128-F132 WeakPolarHBondContact O-CG 3.32Å; S128-F132 PolarHBondContact O-N 3.4Å; E129-F132 PolarHBondContact O-N 2.93Å; F132-E134 VanDerWaalsContact C-N 3.33Å; F132-E134 PolarHBondContact O-N 3.21Å; F132-M135 PolarHBondContact O-N 2.88Å; F132-D136 VanDerWaalsContact O-CB 3.27Å; F132-D136 WeakPolarHBondContact O-CB 3.49Å; F132-D136 PolarHBondContact O-N 3.28Å
133	K	81	Confident	76.1	Confident	157 Å²	157	91.7 Å²	91.7	68%	0.683	47%	0.473	S	S	*	.	H	α-helix	trans	-64.3	-32.6	176.3	-175.1	178.1	178.9	-179.1	0	113.8	E129 L130 Q131	E129-K133 WeakPolarHBondContact O-CB 3.37Å; E129-K133 PolarHBondContact O-N 2.95Å; L130-K133 PolarHBondContact O-N 3.26Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 2.94Å
134	E	78.1	Confident	77.3	Confident	106 Å²	106	90 Å²	90	50%	0.495	46%	0.463	S	S	.	.	H	α-helix	trans	-78.7	-30.5	176.4	-172.3	69.9	-158.9	0	0	111.8	L130 Q131 F132 K154	L130-E134 WeakPolarHBondContact O-CB 3.5Å; L130-E134 PolarHBondContact O-N 2.94Å; Q131-E134 PolarHBondContact O-N 2.75Å; F132-E134 VanDerWaalsContact C-N 3.33Å; F132-E134 PolarHBondContact O-N 3.21Å; E134-K154 IonicContact OE1-NZ 2.75Å
135	M	79.4	Confident	78.4	Confident	54 Å²	54	90.8 Å²	90.8	27%	0.266	47%	0.47	S	S	.	.	H	α-helix	trans	-77.7	-29.6	175.6	-72.5	178.5	56.1	0	0	113	Q131 F132 N137 I148	Q131-M135 HydrophobicContact CG-SD 4.07Å; Q131-M135 WeakPolarHBondContact O-CG 3.49Å; Q131-M135 PolarHBondContact O-N 3Å; F132-M135 PolarHBondContact O-N 2.88Å; M135-N137 PolarHBondContact O-N 3.12Å; M135-N137 VanDerWaalsContact O-N 3.12Å; M135-I148 HydrophobicContact CE-CG1 4.07Å
136	D	80.2	Confident	79.5	Confident	17 Å²	17	94.3 Å²	94.3	9%	0.091	48%	0.479	C	S	.	.			trans	-78	87.9	174.4	178.9	5.6	0	0	0	110.2	F132 N138 V139 D140 G141	F132-D136 VanDerWaalsContact O-CB 3.27Å; F132-D136 WeakPolarHBondContact O-CB 3.49Å; F132-D136 PolarHBondContact O-N 3.28Å; D136-N138 VanDerWaalsContact C-N 3.29Å; D136-N138 PolarHBondContact O-N 3.42Å; D136-N138 PolarHBondContact OD1-N 3.47Å; D136-N138 PolarHBondContact OD1-OD1 3.41Å; D136-V139 WeakPolarHBondContact OD1-CA 3.27Å; D136-V139 PolarHBondContact OD1-N 2.73Å; D136-V139 WeakPolarHBondContact OD2-CA 3.41Å; D136-D140 PolarHBondContact OD1-N 2.84Å; D136-D140 PolarHBondContact OD2-N 3.25Å; D136-G141 WeakPolarHBondContact OD2-CA 3.4Å; D136-G141 PolarHBondContact OD2-N 2.9Å
137	N	72.5	Confident	80.2	Confident	67 Å²	67	86.1 Å²	86.1	36%	0.358	45%	0.449	S	S	.	.	S	Bend	trans	-72.1	-22.5	-179.5	-71.9	-54.9	0	0	0	113.1	M135 D147 T151	M135-N137 PolarHBondContact O-N 3.12Å; M135-N137 VanDerWaalsContact O-N 3.12Å; N137-D147 PolarHBondContact ND2-O 3.22Å; N137-T151 PolarHBondContact ND2-OG1 3.25Å
138	N	79.4	Confident	80.5	Confident	81 Å²	81	87 Å²	87	43%	0.433	45%	0.451	S	S	.	.	S	Bend	trans	-98.3	-10.5	-174	77.2	20.4	0	0	0	112.7	D136 D140	D136-N138 VanDerWaalsContact C-N 3.29Å; D136-N138 PolarHBondContact O-N 3.42Å; D136-N138 PolarHBondContact OD1-N 3.47Å; D136-N138 PolarHBondContact OD1-OD1 3.41Å; N138-D140 VanDerWaalsContact C-N 3.32Å; N138-D140 PolarHBondContact ND2-OD2 3.49Å; N138-D140 WeakPolarHBondContact OD1-CB 3.28Å; N138-D140 PolarHBondContact OD1-N 3.36Å; N138-D140 PolarHBondContact OD1-OD1 3.2Å; N138-D140 PolarHBondContact OD1-OD2 3.32Å
139	V	78.2	Confident	80.8	Confident	123 Å²	123	90.3 Å²	90.3	75%	0.745	46%	0.462	S	S	*	.			trans	63.1	34	177.6	-158.6	0	0	0	0	112.5	D136	D136-V139 WeakPolarHBondContact OD1-CA 3.27Å; D136-V139 PolarHBondContact OD1-N 2.73Å; D136-V139 WeakPolarHBondContact OD2-CA 3.41Å
140	D	85.5	Confident	81.1	Confident	79 Å²	79	86 Å²	86	42%	0.422	45%	0.45	S	S	.	.	S	Bend	trans	-91.4	-9.4	177.3	75.1	11.4	0	0	0	113.7	D136 N138 Y142	D136-D140 PolarHBondContact OD1-N 2.84Å; D136-D140 PolarHBondContact OD2-N 3.25Å; N138-D140 VanDerWaalsContact C-N 3.32Å; N138-D140 PolarHBondContact ND2-OD2 3.49Å; N138-D140 WeakPolarHBondContact OD1-CB 3.28Å; N138-D140 PolarHBondContact OD1-N 3.36Å; N138-D140 PolarHBondContact OD1-OD1 3.2Å; N138-D140 PolarHBondContact OD1-OD2 3.32Å; D140-Y142 WeakPolarHBondContact OD1-CA 3.36Å; D140-Y142 WeakPolarHBondContact OD1-CB 3.41Å; D140-Y142 PolarHBondContact OD1-N 3.43Å
141	G	82.7	Confident	81.3	Confident	64 Å²	64	83.9 Å²	83.9	66%	0.66	44%	0.439	S	S	*	.	S	Bend	trans	87.1	5.9	-178.8	0	0	0	0	0	114.7	D136	D136-G141 WeakPolarHBondContact OD2-CA 3.4Å; D136-G141 PolarHBondContact OD2-N 2.9Å
142	Y	80.5	Confident	81.6	Confident	169 Å²	169	83.9 Å²	83.9	66%	0.663	44%	0.442	S	S	*	.			trans	-121.1	152.1	175.7	-57.9	-84.4	0	0	0	110.2	D140	D140-Y142 WeakPolarHBondContact OD1-CA 3.36Å; D140-Y142 WeakPolarHBondContact OD1-CB 3.41Å; D140-Y142 PolarHBondContact OD1-N 3.43Å
143	S	79.6	Confident	81.8	Confident	49 Å²	49	80.9 Å²	80.9	34%	0.343	44%	0.439	S	S	.	.			trans	-110.3	103.1	172.1	-58.5	0	0	0	0	108.5
144	T	83.6	Confident	81.9	Confident	53 Å²	53	77.5 Å²	77.5	33%	0.325	43%	0.425	S	S	.	.			trans	-88.7	169.2	176.9	71.6	0	0	0	0	111.1	E146 D147 I148	T144-E146 PolarHBondContact O-N 2.89Å; T144-E146 PolarHBondContact OG1-N 3.44Å; T144-D147 WeakPolarHBondContact CB-OD2 3.41Å; T144-D147 PolarHBondContact N-OD2 3.37Å; T144-D147 PolarHBondContact O-N 3.48Å; T144-D147 PolarHBondContact OG1-N 2.92Å; T144-D147 PolarHBondContact OG1-OD2 3.46Å; T144-I148 WeakPolarHBondContact O-CG1 3.36Å; T144-I148 PolarHBondContact O-N 2.63Å
145	L	83.8	Confident	82	Confident	120 Å²	120	77.4 Å²	77.4	63%	0.628	42%	0.424	S	S	*	.	H	α-helix	trans	-60.4	-35.4	174.3	-177.2	62.8	0	0	0	111.6	I148 E149	L145-I148 PolarHBondContact O-N 2.92Å; L145-E149 WeakPolarHBondContact O-CG 3.37Å; L145-E149 PolarHBondContact O-N 3.45Å
146	E	84.1	Confident	82.2	Confident	152 Å²	152	81.4 Å²	81.4	71%	0.71	44%	0.44	S	S	*	.	H	α-helix	trans	-65.1	-40.6	178.7	-62.2	-179.1	-177.7	0	0	111.4	T144 I148 E149 A150	T144-E146 PolarHBondContact O-N 2.89Å; T144-E146 PolarHBondContact OG1-N 3.44Å; E146-I148 VanDerWaalsContact C-N 3.32Å; E146-I148 PolarHBondContact O-N 3.3Å; E146-E149 PolarHBondContact O-N 2.9Å; E146-A150 VanDerWaalsContact O-CB 3.3Å; E146-A150 WeakPolarHBondContact O-CB 3.39Å; E146-A150 PolarHBondContact O-N 3.27Å
147	D	83.1	Confident	82.2	Confident	12 Å²	12	87.6 Å²	87.6	6%	0.064	47%	0.473	C	S	.	.	H	α-helix	trans	-65	-38	176.6	-56.3	-54	0	0	0	111.7	N137 T144 T151	N137-D147 PolarHBondContact ND2-O 3.22Å; T144-D147 WeakPolarHBondContact CB-OD2 3.41Å; T144-D147 PolarHBondContact N-OD2 3.37Å; T144-D147 PolarHBondContact O-N 3.48Å; T144-D147 PolarHBondContact OG1-N 2.92Å; T144-D147 PolarHBondContact OG1-OD2 3.46Å; D147-T151 WeakPolarHBondContact O-CB 3.37Å; D147-T151 PolarHBondContact O-N 2.85Å; D147-T151 PolarHBondContact O-OG1 2.89Å
148	I	82.7	Confident	82.4	Confident	64 Å²	64	88.6 Å²	88.6	33%	0.328	48%	0.475	S	S	.	.	H	α-helix	trans	-66.6	-46.5	176.6	-65.7	168.4	0	0	0	110.5	M135 T144 L145 E146 A150 T151 L152	M135-I148 HydrophobicContact CE-CG1 4.07Å; T144-I148 WeakPolarHBondContact O-CG1 3.36Å; T144-I148 PolarHBondContact O-N 2.63Å; L145-I148 PolarHBondContact O-N 2.92Å; E146-I148 VanDerWaalsContact C-N 3.32Å; E146-I148 PolarHBondContact O-N 3.3Å; I148-A150 VanDerWaalsContact C-N 3.34Å; I148-A150 PolarHBondContact O-N 3.36Å; I148-T151 PolarHBondContact O-N 2.73Å; I148-L152 HydrophobicContact CG2-CD1 3.84Å; I148-L152 WeakPolarHBondContact O-CB 3.24Å; I148-L152 WeakPolarHBondContact O-CG 3.47Å; I148-L152 PolarHBondContact O-N 2.88Å
149	E	87	Confident	82.3	Confident	120 Å²	120	91.1 Å²	91.1	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-62.3	-41.8	177	-73.8	-177.2	179.8	0	0	111.7	L145 E146 L152 A153	L145-E149 WeakPolarHBondContact O-CG 3.37Å; L145-E149 PolarHBondContact O-N 3.45Å; E146-E149 PolarHBondContact O-N 2.9Å; E149-L152 PolarHBondContact O-N 2.81Å; E149-A153 WeakPolarHBondContact O-CB 3.41Å; E149-A153 PolarHBondContact O-N 3.24Å
150	A	84.8	Confident	81.7	Confident	49 Å²	49	88.3 Å²	88.3	41%	0.405	48%	0.476	S	S	.	.	H	α-helix	trans	-64	-42.4	175.7	0	0	0	0	0	112.1	E146 I148 A153 K154	E146-A150 VanDerWaalsContact O-CB 3.3Å; E146-A150 WeakPolarHBondContact O-CB 3.39Å; E146-A150 PolarHBondContact O-N 3.27Å; I148-A150 VanDerWaalsContact C-N 3.34Å; I148-A150 PolarHBondContact O-N 3.36Å; A150-A153 PolarHBondContact O-N 3Å; A150-K154 WeakPolarHBondContact O-CB 3.32Å; A150-K154 PolarHBondContact O-N 2.86Å
151	T	82.6	Confident	79.9	Confident	20 Å²	20	92.9 Å²	92.9	12%	0.123	49%	0.492	C	S	.	.	H	α-helix	trans	-64.2	-46.3	176.5	-57.1	0	0	0	0	110.9	N137 D147 I148 A153 K154 E155	N137-T151 PolarHBondContact ND2-OG1 3.25Å; D147-T151 WeakPolarHBondContact O-CB 3.37Å; D147-T151 PolarHBondContact O-N 2.85Å; D147-T151 PolarHBondContact O-OG1 2.89Å; I148-T151 PolarHBondContact O-N 2.73Å; T151-A153 VanDerWaalsContact C-N 3.34Å; T151-A153 PolarHBondContact O-N 3.16Å; T151-K154 WeakPolarHBondContact O-CB 3.45Å; T151-K154 PolarHBondContact O-N 2.86Å; T151-E155 WeakPolarHBondContact O-CG 3.14Å; T151-E155 PolarHBondContact O-N 3.26Å
152	L	83.9	Confident	78	Confident	86 Å²	86	97.9 Å²	97.9	45%	0.45	53%	0.527	S	S	.	.	H	α-helix	trans	-61	-41.3	175.5	-77.7	162.9	0	0	0	112.1	I148 E149 E155 K156	I148-L152 HydrophobicContact CG2-CD1 3.84Å; I148-L152 WeakPolarHBondContact O-CB 3.24Å; I148-L152 WeakPolarHBondContact O-CG 3.47Å; I148-L152 PolarHBondContact O-N 2.88Å; E149-L152 PolarHBondContact O-N 2.81Å; L152-E155 PolarHBondContact O-N 3.27Å; L152-K156 WeakPolarHBondContact O-CB 3.39Å; L152-K156 VanDerWaalsContact O-CG 3.24Å; L152-K156 WeakPolarHBondContact O-CG 3.35Å; L152-K156 PolarHBondContact O-N 3.03Å
153	A	85.6	Confident	77.9	Confident	57 Å²	57	94.3 Å²	94.3	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-42.3	176.4	0	0	0	0	0	111.8	E149 A150 T151 K156 N157	E149-A153 WeakPolarHBondContact O-CB 3.41Å; E149-A153 PolarHBondContact O-N 3.24Å; A150-A153 PolarHBondContact O-N 3Å; T151-A153 VanDerWaalsContact C-N 3.34Å; T151-A153 PolarHBondContact O-N 3.16Å; A153-K156 PolarHBondContact O-N 3.34Å; A153-N157 WeakPolarHBondContact O-CB 3.42Å; A153-N157 PolarHBondContact O-N 3.3Å
154	K	83.8	Confident	77.8	Confident	86 Å²	86	96.7 Å²	96.7	37%	0.374	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-46.4	174.6	-179.6	-174.1	172.9	-165.2	0	111.3	E134 A150 T151 N157 E158	E134-K154 IonicContact OE1-NZ 2.75Å; A150-K154 WeakPolarHBondContact O-CB 3.32Å; A150-K154 PolarHBondContact O-N 2.86Å; T151-K154 WeakPolarHBondContact O-CB 3.45Å; T151-K154 PolarHBondContact O-N 2.86Å; K154-N157 PolarHBondContact O-N 2.94Å; K154-E158 VanDerWaalsContact O-CB 3.28Å; K154-E158 WeakPolarHBondContact O-CB 3.3Å; K154-E158 PolarHBondContact O-N 3.37Å
155	E	79.6	Confident	77.5	Confident	103 Å²	103	99.1 Å²	99.1	48%	0.481	54%	0.54	S	S	.	.	H	α-helix	trans	-65.2	-41.2	177.7	-73.5	-171.9	158.5	0	0	112.6	T151 L152 N157 Y159	T151-E155 WeakPolarHBondContact O-CG 3.14Å; T151-E155 PolarHBondContact O-N 3.26Å; L152-E155 PolarHBondContact O-N 3.27Å; E155-N157 VanDerWaalsContact C-N 3.28Å; E155-N157 PolarHBondContact O-N 2.79Å; E155-Y159 WeakPolarHBondContact O-CB 3.33Å; E155-Y159 PolarHBondContact O-N 3.44Å
156	K	82.4	Confident	77.1	Confident	138 Å²	138	97.9 Å²	97.9	60%	0.6	54%	0.535	S	S	*	.	H	α-helix	trans	-57.6	-42.3	173.4	-79.7	175.1	178.9	179.3	0	111.7	L152 A153 G160	L152-K156 WeakPolarHBondContact O-CB 3.39Å; L152-K156 VanDerWaalsContact O-CG 3.24Å; L152-K156 WeakPolarHBondContact O-CG 3.35Å; L152-K156 PolarHBondContact O-N 3.03Å; A153-K156 PolarHBondContact O-N 3.34Å; K156-G160 WeakPolarHBondContact O-CA 3.43Å; K156-G160 PolarHBondContact O-N 3.39Å
157	N	81.3	Confident	76.6	Confident	148 Å²	148	94.5 Å²	94.5	79%	0.791	52%	0.524	S	S	*	.	H	α-helix	trans	-77.7	-40.5	-179.1	-172.2	60.6	0	0	0	113.2	A153 K154 E155	A153-N157 WeakPolarHBondContact O-CB 3.42Å; A153-N157 PolarHBondContact O-N 3.3Å; K154-N157 PolarHBondContact O-N 2.94Å; E155-N157 VanDerWaalsContact C-N 3.28Å; E155-N157 PolarHBondContact O-N 2.79Å
158	E	76.1	Confident	76.2	Confident	87 Å²	87	100 Å²	100	41%	0.407	56%	0.555	S	S	.	*	H	α-helix	trans	-80	-34.6	-175	-167.1	171.4	178.5	0	0	112.4	K89 K154	K89-E158 IonicContact NZ-OE1 2.75Å; K89-E158 PolarHBondContact NZ-OE1 2.92Å; K154-E158 VanDerWaalsContact O-CB 3.28Å; K154-E158 WeakPolarHBondContact O-CB 3.3Å; K154-E158 PolarHBondContact O-N 3.37Å
159	Y	77.2	Confident	75.8	Confident	135 Å²	135	102.6 Å²	102.6	53%	0.529	57%	0.571	S	S	.	*	H	α-helix	trans	-115.5	-5.8	-173.5	-62.2	-70.8	0	0	0	115	E155 K161	E155-Y159 WeakPolarHBondContact O-CB 3.33Å; E155-Y159 PolarHBondContact O-N 3.44Å; Y159-K161 PolarHBondContact O-N 3.46Å
160	G	65.5	Low	74.9	Confident	63 Å²	63	101.2 Å²	101.2	65%	0.649	57%	0.572	S	S	*	*			trans	58.7	17.6	178.1	0	0	0	0	0	114.4	K156 A162	K156-G160 WeakPolarHBondContact O-CA 3.43Å; K156-G160 PolarHBondContact O-N 3.39Å; G160-A162 PolarHBondContact O-N 2.89Å
161	K	48.3	Very low	74.1	Confident	176 Å²	176	105.6 Å²	105.6	77%	0.765	59%	0.586	S	S	*	*			trans	-81.3	101.1	179.7	-74.1	-170.2	178.8	-178.3	0	109.7	Y159	Y159-K161 PolarHBondContact O-N 3.46Å
162	A	42.6	Very low	73.3	Confident	168 Å²	168	113.4 Å²	113.4	100%	1.388	63%	0.628	S	S	*	*			trans	-127.7	0	146.2	0	0	0	0	0	107.3	G160	G160-A162 PolarHBondContact O-N 2.89Å

Retrieved 162 of 162 residues in 22.7 ms (Link to these results)

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