A0A5K4F652_SCHMA Loading...

Eggshell protein

AlphaFold DB , UniProt , Accession A0A5K4F652, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 152 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.5	Very low	42.3	Very low	234 Å²	234	171.5 Å²	171.5	100%	1.153	85%	0.845	S	S	*	*				0	156.6	0	-78.6	174.4	167.6	0	0	108.7
2	N	42	Very low	42.3	Very low	149 Å²	149	174.8 Å²	174.8	80%	0.797	84%	0.844	S	S	*	*			trans	80	89.5	169.8	-56.1	0.5	0	0	0	117.2
3	S	35.3	Very low	41.9	Very low	117 Å²	117	172.9 Å²	172.9	82%	0.818	84%	0.841	S	S	*	*			trans	-71.4	146	154.4	47.4	0	0	0	0	110.9
4	I	48.9	Very low	41.8	Very low	160 Å²	160	164.6 Å²	164.6	82%	0.821	82%	0.822	S	S	*	*			trans	-128.4	98.3	170.3	-61.7	177.3	0	0	0	109.7
5	Y	41.9	Very low	41.7	Very low	206 Å²	206	165.6 Å²	165.6	81%	0.808	82%	0.82	S	S	*	*			trans	25.7	106	147	-89.1	-100.3	0	0	0	119.2
6	T	50.3	Low	42.1	Very low	134 Å²	134	164.4 Å²	164.4	82%	0.822	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-56.4	133.6	155	43.6	0	0	0	0	110.7	S8	T6-S8 PolarHBondContact O-N 2.8Å
7	H	46.8	Very low	42.4	Very low	190 Å²	190	163.5 Å²	163.5	88%	0.88	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-69.2	130.6	174.6	-84.9	45.8	0	0	0	110.7
8	S	38.6	Very low	42.6	Very low	84 Å²	84	161.4 Å²	161.4	59%	0.587	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-85.9	134.9	-179.9	98.2	0	0	0	0	110.8	T6	T6-S8 PolarHBondContact O-N 2.8Å
9	N	43.6	Very low	42.9	Very low	170 Å²	170	156.2 Å²	156.2	91%	0.909	78%	0.781	S	S	*	*			trans	-116.7	73	156.2	-92.8	-41.3	0	0	0	109.2	R11	N9-R11 PolarHBondContact O-N 3.19Å
10	Y	39.5	Very low	43.2	Very low	209 Å²	209	155.7 Å²	155.7	82%	0.82	77%	0.773	S	S	*	*			trans	-77.1	108.2	166.2	-87.1	-86.6	0	0	0	110.2
11	R	40.7	Very low	43.5	Very low	233 Å²	233	156 Å²	156	88%	0.879	77%	0.77	S	S	*	*			trans	-179.8	123	155.5	-92.6	156.5	-154.4	-131.1	8.8	103.5	N9	N9-R11 PolarHBondContact O-N 3.19Å
12	Y	42.1	Very low	44.1	Very low	212 Å²	212	150 Å²	150	83%	0.831	74%	0.743	S	S	*	*			cis	-156.5	120.1	31.6	-159.7	-99.4	0	0	0	111.5
13	N	37.7	Very low	44.6	Very low	150 Å²	150	145.4 Å²	145.4	80%	0.802	72%	0.723	S	S	*	*			trans	-5.2	128.2	151	-60.2	-14.1	0	0	0	119.7
14	G	39.9	Very low	45.2	Very low	57 Å²	57	148.2 Å²	148.2	59%	0.588	72%	0.717	S	S	*	*			trans	159.5	120.5	157	0	0	0	0	0	115.4	M16	G14-M16 PolarHBondContact O-N 2.98Å
15	F	40.1	Very low	45.3	Very low	179 Å²	179	147.3 Å²	147.3	79%	0.785	71%	0.709	S	S	*	*			trans	67	15.1	154.1	-66.3	-82.8	0	0	0	122.2	D17	F15-D17 VanDerWaalsContact C-N 3.33Å; F15-D17 PolarHBondContact O-N 2.8Å
16	M	49	Very low	45.8	Very low	147 Å²	147	140.7 Å²	140.7	72%	0.724	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-4.5	178.5	-89.5	-70.9	-176	0	0	117.2	G14	G14-M16 PolarHBondContact O-N 2.98Å
17	D	47.6	Very low	46	Very low	148 Å²	148	140.8 Å²	140.8	79%	0.791	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-10.1	-175.2	-76.9	-32.7	0	0	0	115.4	F15	F15-D17 VanDerWaalsContact C-N 3.33Å; F15-D17 PolarHBondContact O-N 2.8Å
18	Q	45.2	Very low	46.1	Very low	127 Å²	127	137.4 Å²	137.4	59%	0.593	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-34.3	-179.3	-78	159.1	-30.2	0	0	113.3	K20 K21	Q18-K20 PolarHBondContact O-N 3.34Å; Q18-K21 PolarHBondContact O-N 2.93Å; Q18-K21 VanDerWaalsContact O-N 3.08Å
19	S	47.7	Very low	46.6	Very low	61 Å²	61	141 Å²	141	43%	0.427	69%	0.685	S	S	.	*	H	α-helix	trans	-62.2	-16.1	-176.9	60.8	0	0	0	0	115.5	S23	S19-S23 PolarHBondContact O-OG 3.46Å; S19-S23 VanDerWaalsContact O-OG 3.06Å
20	K	49.4	Very low	47.1	Very low	146 Å²	146	138.2 Å²	138.2	64%	0.635	68%	0.676	S	S	*	*	H	α-helix	trans	-80.2	-16.4	177	-68.3	-179	-177.5	169.8	0	114	Q18	Q18-K20 PolarHBondContact O-N 3.34Å
21	K	49.7	Very low	47.7	Very low	163 Å²	163	136.3 Å²	136.3	71%	0.709	68%	0.679	S	S	*	*	H	α-helix	trans	-83.7	-48.1	172.9	-80.9	-175.2	170.8	-177.1	0	111.2	Q18 S23 Y24 E25	Q18-K21 PolarHBondContact O-N 2.93Å; Q18-K21 VanDerWaalsContact O-N 3.08Å; K21-S23 VanDerWaalsContact C-N 3.26Å; K21-S23 PolarHBondContact O-N 3.14Å; K21-Y24 PolarHBondContact O-N 2.93Å; K21-E25 PolarHBondContact O-N 3.09Å
22	D	50.7	Low	48.2	Very low	107 Å²	107	134.6 Å²	134.6	57%	0.572	68%	0.678	S	S	*	*	H	α-helix	trans	-60.7	-35	-175.9	-53.6	-11.9	0	0	0	112.6	Y24 E25 A26	D22-Y24 PolarHBondContact O-N 3.43Å; D22-E25 PolarHBondContact O-N 3.13Å; D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 2.87Å
23	S	50.8	Low	48.7	Very low	54 Å²	54	130 Å²	130	38%	0.378	67%	0.672	S	S	.	*	H	α-helix	trans	-68	-31.9	176.9	47.2	0	0	0	0	113.5	S19 K21 I27	S19-S23 PolarHBondContact O-OG 3.46Å; S19-S23 VanDerWaalsContact O-OG 3.06Å; K21-S23 VanDerWaalsContact C-N 3.26Å; K21-S23 PolarHBondContact O-N 3.14Å; S23-I27 VanDerWaalsContact O-CD1 3.32Å; S23-I27 WeakPolarHBondContact O-CD1 3.32Å; S23-I27 VanDerWaalsContact O-CG1 3.24Å; S23-I27 WeakPolarHBondContact O-CG1 3.25Å; S23-I27 PolarHBondContact O-N 2.81Å
24	Y	48.7	Very low	49.5	Very low	175 Å²	175	130.7 Å²	130.7	69%	0.686	67%	0.674	S	S	*	*	H	α-helix	trans	-74.8	-28.9	174.5	-94.8	-87.8	0	0	0	113.1	K21 D22 N28	K21-Y24 PolarHBondContact O-N 2.93Å; D22-Y24 PolarHBondContact O-N 3.43Å; Y24-N28 PolarHBondContact O-ND2 2.94Å
25	E	51	Low	49.9	Very low	141 Å²	141	135.5 Å²	135.5	66%	0.659	68%	0.681	S	S	*	*	H	α-helix	trans	-77.5	-40.4	172.7	-70.8	-173.6	174.3	0	0	111.6	K21 D22 I27 N28 F29	K21-E25 PolarHBondContact O-N 3.09Å; D22-E25 PolarHBondContact O-N 3.13Å; E25-I27 VanDerWaalsContact C-N 3.34Å; E25-I27 PolarHBondContact O-N 3.34Å; E25-N28 PolarHBondContact O-N 3.14Å; E25-N28 VanDerWaalsContact O-N 3.14Å; E25-F29 WeakPolarHBondContact O-CD2 3.45Å
26	A	52.3	Low	50.2	Low	67 Å²	67	130.2 Å²	130.2	55%	0.554	68%	0.677	S	S	*	*	H	α-helix	trans	-60.4	-38.3	178.2	0	0	0	0	0	113.6	D22 N28	D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 2.87Å; A26-N28 VanDerWaalsContact C-N 3.27Å; A26-N28 PolarHBondContact O-N 3.42Å
27	I	53.9	Low	50.4	Low	137 Å²	137	131.1 Å²	131.1	70%	0.703	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-23.2	179	-68.1	166.1	0	0	0	112.2	S23 E25	S23-I27 VanDerWaalsContact O-CD1 3.32Å; S23-I27 WeakPolarHBondContact O-CD1 3.32Å; S23-I27 VanDerWaalsContact O-CG1 3.24Å; S23-I27 WeakPolarHBondContact O-CG1 3.25Å; S23-I27 PolarHBondContact O-N 2.81Å; E25-I27 VanDerWaalsContact C-N 3.34Å; E25-I27 PolarHBondContact O-N 3.34Å
28	N	50.5	Low	50.5	Low	119 Å²	119	133.4 Å²	133.4	64%	0.636	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	13.5	-174.9	-73.1	-61.5	0	0	0	114.1	Y24 E25 A26 P30	Y24-N28 PolarHBondContact O-ND2 2.94Å; E25-N28 PolarHBondContact O-N 3.14Å; E25-N28 VanDerWaalsContact O-N 3.14Å; A26-N28 VanDerWaalsContact C-N 3.27Å; A26-N28 PolarHBondContact O-N 3.42Å; N28-P30 VanDerWaalsContact O-CD 3.25Å; N28-P30 WeakPolarHBondContact O-CD 3.2Å
29	F	48.6	Very low	50.6	Low	159 Å²	159	137 Å²	137	70%	0.697	69%	0.692	S	S	*	*			trans	-67.4	117.3	173.1	-100.4	-90.4	0	0	0	111.2	E25 L31	E25-F29 WeakPolarHBondContact O-CD2 3.45Å; F29-L31 PolarHBondContact O-N 3.36Å; F29-L31 VanDerWaalsContact O-N 3.14Å
30	P	53.6	Low	50.6	Low	111 Å²	111	140.9 Å²	140.9	72%	0.721	71%	0.708	S	S	*	*			trans	-69.5	114.5	175.2	28.2	-32.7	0	0	0	109.4	N28 K32	N28-P30 VanDerWaalsContact O-CD 3.25Å; N28-P30 WeakPolarHBondContact O-CD 3.2Å; P30-K32 PolarHBondContact O-N 3.29Å
31	L	53.1	Low	50.5	Low	170 Å²	170	142.7 Å²	142.7	89%	0.89	72%	0.72	S	S	*	*			trans	-60	101.7	174.8	-69.1	171.5	0	0	0	109.8	F29 T33	F29-L31 PolarHBondContact O-N 3.36Å; F29-L31 VanDerWaalsContact O-N 3.14Å; L31-T33 PolarHBondContact O-N 3.25Å
32	K	51.4	Low	50.4	Low	196 Å²	196	141.6 Å²	141.6	85%	0.852	72%	0.722	S	S	*	*			trans	-60.9	127.7	170.1	-80.7	-175.5	175	178.4	0	109.2	P30 I34	P30-K32 PolarHBondContact O-N 3.29Å; K32-I34 PolarHBondContact O-N 3.36Å
33	T	50.7	Low	50.2	Low	116 Å²	116	147.4 Å²	147.4	71%	0.712	74%	0.738	S	S	*	*			trans	-64.7	105.9	-178.1	-24.8	0	0	0	0	110.9	L31 H35	L31-T33 PolarHBondContact O-N 3.25Å; T33-H35 PolarHBondContact O-N 3.29Å; T33-H35 PolarHBondContact O-ND1 3.5Å
34	I	55.9	Low	49.6	Very low	165 Å²	165	148.6 Å²	148.6	85%	0.846	76%	0.758	S	S	*	*			trans	-73.9	109.2	176.3	-59.8	172.8	0	0	0	108.3	K32 G36	K32-I34 PolarHBondContact O-N 3.36Å; I34-G36 PolarHBondContact O-N 3.04Å
35	H	48.6	Very low	49.2	Very low	157 Å²	157	148 Å²	148	73%	0.727	77%	0.767	S	S	*	*			trans	-87.9	103.1	172.6	-67.1	74.8	0	0	0	108.4	T33 H37	T33-H35 PolarHBondContact O-N 3.29Å; T33-H35 PolarHBondContact O-ND1 3.5Å; H35-H37 PolarHBondContact O-N 3.06Å
36	G	46.5	Very low	48.7	Very low	68 Å²	68	144.7 Å²	144.7	70%	0.701	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-69.6	123.2	176.2	0	0	0	0	0	111.4	I34 K38	I34-G36 PolarHBondContact O-N 3.04Å; G36-K38 PolarHBondContact O-N 3.08Å
37	H	51.8	Low	48.3	Very low	167 Å²	167	151 Å²	151	77%	0.773	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64	128.6	169.5	-78.2	-94.8	0	0	0	109.9	H35	H35-H37 PolarHBondContact O-N 3.06Å
38	K	50.1	Low	48.3	Very low	195 Å²	195	152 Å²	152	85%	0.848	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-80.4	121.3	164.6	-61.9	-177.3	-179.4	-176.1	0	106.9	G36	G36-K38 PolarHBondContact O-N 3.08Å
39	Y	48.4	Very low	48.6	Very low	204 Å²	204	150.8 Å²	150.8	80%	0.8	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-82.1	141.5	170.1	-71.2	-85.3	0	0	0	109.3
40	D	47.1	Very low	48.8	Very low	142 Å²	142	149.6 Å²	149.6	76%	0.759	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-70.6	146.7	-164	-61.5	-62.3	0	0	0	114.2	D42	D40-D42 VanDerWaalsContact C-N 3.29Å; D40-D42 PolarHBondContact O-N 3.46Å
41	M	47.4	Very low	48.8	Very low	184 Å²	184	151.2 Å²	151.2	91%	0.906	79%	0.793	S	S	*	*			trans	-90.1	41.5	-173.6	-71.3	-175.8	-87.4	0	0	113.1
42	D	47.6	Very low	48.6	Very low	139 Å²	139	153.1 Å²	153.1	74%	0.743	79%	0.79	S	S	*	*			trans	-96.6	5.7	-165.3	-75	-3.7	0	0	0	115.5	D40	D40-D42 VanDerWaalsContact C-N 3.29Å; D40-D42 PolarHBondContact O-N 3.46Å
43	Y	46.8	Very low	48.5	Very low	230 Å²	230	146.5 Å²	146.5	90%	0.902	78%	0.777	S	S	*	*	S	Bend	trans	-101.5	93.1	169.1	-83.8	-85.6	0	0	0	111.4	N45	Y43-N45 PolarHBondContact O-N 3.43Å
44	G	37.6	Very low	48.3	Very low	78 Å²	78	147.4 Å²	147.4	80%	0.804	78%	0.778	S	S	*	*			trans	-69	81.8	-175.6	0	0	0	0	0	115.2
45	N	41.3	Very low	48.3	Very low	162 Å²	162	148 Å²	148	87%	0.866	78%	0.777	S	S	*	*			trans	-150	90.8	151.6	-93.5	-9.3	0	0	0	105	Y43	Y43-N45 PolarHBondContact O-N 3.43Å
46	G	39.8	Very low	48.4	Very low	72 Å²	72	146 Å²	146	74%	0.742	77%	0.772	S	S	*	*				94.1	76.3	50.6	0	0	0	0	0	108.4
47	F	43.6	Very low	48.7	Very low	201 Å²	201	150.6 Å²	150.6	88%	0.882	78%	0.78	S	S	*	*			trans	49.9	100	-178.6	-84.5	-99.2	0	0	0	115.6	P49	F47-P49 VanDerWaalsContact O-CD 3.28Å; F47-P49 WeakPolarHBondContact O-CD 3.45Å
48	I	55.1	Low	48.9	Very low	156 Å²	156	150.2 Å²	150.2	80%	0.8	78%	0.778	S	S	*	*			trans	-71.2	117.9	151.4	-58.5	174.6	0	0	0	105.9	D50	I48-D50 PolarHBondContact O-N 3.21Å
49	P	55.5	Low	49.1	Very low	94 Å²	94	147 Å²	147	61%	0.61	77%	0.771	S	S	*	*			trans	-68.9	129	172.9	-14.4	30.7	0	0	0	108.7	F47 N51	F47-P49 VanDerWaalsContact O-CD 3.28Å; F47-P49 WeakPolarHBondContact O-CD 3.45Å; P49-N51 PolarHBondContact O-N 3.47Å
50	D	52.3	Low	49.5	Very low	134 Å²	134	144.5 Å²	144.5	72%	0.717	77%	0.771	S	S	*	*			trans	-64.3	97	172.7	-96.2	-27	0	0	0	109.2	I48 Y52	I48-D50 PolarHBondContact O-N 3.21Å; D50-Y52 HydrophobicContact CB-CD2 3.93Å; D50-Y52 PolarHBondContact O-N 3.05Å
51	N	53.3	Low	49.8	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	77%	0.771	S	S	*	*			trans	-73	26.4	-179.6	-110.6	25	0	0	0	113.4	P49 G53	P49-N51 PolarHBondContact O-N 3.47Å; N51-G53 VanDerWaalsContact C-N 3.35Å; N51-G53 PolarHBondContact O-N 3.47Å
52	Y	50.8	Low	50	Low	210 Å²	210	144.7 Å²	144.7	82%	0.824	77%	0.765	S	S	*	*			trans	-76.9	79.6	172.6	-68.7	-79.9	0	0	0	110.1	D50	D50-Y52 HydrophobicContact CB-CD2 3.93Å; D50-Y52 PolarHBondContact O-N 3.05Å
53	G	48.1	Very low	50.1	Low	57 Å²	57	147 Å²	147	59%	0.588	76%	0.764	S	S	*	*	S	Bend	trans	178.3	-34.3	174.4	0	0	0	0	0	117.3	N51 H55	N51-G53 VanDerWaalsContact C-N 3.35Å; N51-G53 PolarHBondContact O-N 3.47Å; G53-H55 VanDerWaalsContact C-N 3.31Å; G53-H55 PolarHBondContact O-N 2.93Å
54	N	47.3	Very low	50.3	Low	136 Å²	136	143.8 Å²	143.8	73%	0.727	76%	0.763	S	S	*	*			trans	-82.6	77.6	-179.9	-78.9	13.3	0	0	0	111.2	D56	N54-D56 PolarHBondContact O-N 3.22Å
55	H	56	Low	50.7	Low	177 Å²	177	143.6 Å²	143.6	82%	0.819	75%	0.75	S	S	*	*			trans	-78.1	82.8	153.1	-76.1	-83.9	0	0	0	108.2	G53	G53-H55 VanDerWaalsContact C-N 3.31Å; G53-H55 PolarHBondContact O-N 2.93Å
56	D	49.7	Very low	51	Low	115 Å²	115	145.3 Å²	145.3	62%	0.615	75%	0.745	S	S	*	*			trans	-59.7	140.2	162.8	-78.6	-52.6	0	0	0	108.9	N54 H58	N54-D56 PolarHBondContact O-N 3.22Å; D56-H58 PolarHBondContact O-N 3.02Å
57	N	52.1	Low	51.5	Low	165 Å²	165	149.5 Å²	149.5	88%	0.882	75%	0.745	S	S	*	*			trans	-71.5	68.9	-177.6	-68.6	-32.2	0	0	0	110.9	D59	N57-D59 PolarHBondContact O-N 3.42Å; N57-D59 VanDerWaalsContact O-N 3.1Å
58	H	56.4	Low	51.6	Low	158 Å²	158	144 Å²	144	73%	0.731	73%	0.732	S	S	*	*			trans	-69.1	103.5	164.8	-76.4	-77.9	0	0	0	108.2	D56 D60	D56-H58 PolarHBondContact O-N 3.02Å; H58-D60 PolarHBondContact O-N 3.43Å
59	D	54.3	Low	51.2	Low	129 Å²	129	142.9 Å²	142.9	69%	0.69	73%	0.727	S	S	*	*			trans	-45.8	126.3	163.1	-84.3	-43.4	0	0	0	108.4	N57 Q61	N57-D59 PolarHBondContact O-N 3.42Å; N57-D59 VanDerWaalsContact O-N 3.1Å; D59-Q61 HydrophobicContact CB-CG 4.47Å; D59-Q61 PolarHBondContact O-N 3.31Å
60	D	58	Low	50.9	Low	150 Å²	150	145.1 Å²	145.1	80%	0.802	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	23.8	-175	50.2	-20.9	0	0	0	113.3	H58	H58-D60 PolarHBondContact O-N 3.43Å
61	Q	53.6	Low	50.7	Low	163 Å²	163	147.3 Å²	147.3	76%	0.762	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-5.1	-174.7	-59.9	-158.3	-10	0	0	114.9	D59	D59-Q61 HydrophobicContact CB-CG 4.47Å; D59-Q61 PolarHBondContact O-N 3.31Å
62	E	50.9	Low	50.5	Low	167 Å²	167	148.1 Å²	148.1	78%	0.78	74%	0.738	S	S	*	*			trans	-99.6	-0.2	-179.2	-74.7	-167.5	153.7	0	0	115.4	D64	E62-D64 PolarHBondContact O-N 2.93Å
63	Y	49	Very low	50.4	Low	187 Å²	187	144.3 Å²	144.3	73%	0.733	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	12.2	179.7	-109.1	-74.4	0	0	0	115.4	Y66	Y63-Y66 HydrophobicContact CD1-CE2 4.08Å; Y63-Y66 AromaticContact CE1-CE2 3.96Å; Y63-Y66 HydrophobicContact CE1-CE2 3.96Å
64	D	51.4	Low	50.5	Low	164 Å²	164	145.3 Å²	145.3	88%	0.877	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	13.2	-179.7	-109.7	4.8	0	0	0	114	E62	E62-D64 PolarHBondContact O-N 2.93Å
65	S	45.5	Very low	50.6	Low	74 Å²	74	145.3 Å²	145.3	52%	0.517	74%	0.738	S	S	.	*			trans	-133.9	53	-174.8	68	0	0	0	0	115.9	H67	S65-H67 VanDerWaalsContact C-N 3.3Å; S65-H67 PolarHBondContact O-N 3.49Å; S65-H67 PolarHBondContact O-ND1 2.95Å; S65-H67 VanDerWaalsContact O-ND1 3.11Å
66	Y	47.7	Very low	50.2	Low	198 Å²	198	145.6 Å²	145.6	78%	0.776	74%	0.739	S	S	*	*			trans	-63	98.5	156.4	-87	-77.9	0	0	0	109.1	Y63	Y63-Y66 HydrophobicContact CD1-CE2 4.08Å; Y63-Y66 AromaticContact CE1-CE2 3.96Å; Y63-Y66 HydrophobicContact CE1-CE2 3.96Å
67	H	51.6	Low	50.1	Low	159 Å²	159	144.9 Å²	144.9	74%	0.736	73%	0.732	S	S	*	*			trans	-56.8	143.6	-176.7	-84.4	28.6	0	0	0	111.8	S65 N69	S65-H67 VanDerWaalsContact C-N 3.3Å; S65-H67 PolarHBondContact O-N 3.49Å; S65-H67 PolarHBondContact O-ND1 2.95Å; S65-H67 VanDerWaalsContact O-ND1 3.11Å; H67-N69 PolarHBondContact O-N 3Å
68	S	44	Very low	50	Low	87 Å²	87	144 Å²	144	61%	0.608	73%	0.728	S	S	*	*			trans	-45.5	110.3	157.9	-148	0	0	0	0	109.3	D70	S68-D70 VanDerWaalsContact CB-OD2 3.24Å; S68-D70 WeakPolarHBondContact CB-OD2 3.24Å; S68-D70 PolarHBondContact OG-OD1 3.02Å; S68-D70 PolarHBondContact OG-OD2 3.3Å
69	N	47.1	Very low	49.7	Very low	131 Å²	131	143.5 Å²	143.5	70%	0.701	72%	0.72	S	S	*	*			trans	-102	87.6	156.5	-102	-10.9	0	0	0	104.7	H67 Y71	H67-N69 PolarHBondContact O-N 3Å; N69-Y71 HydrophobicContact CB-CD2 4Å; N69-Y71 HydrophobicContact CB-CE2 4.3Å; N69-Y71 PolarHBondContact O-N 3.43Å
70	D	49.1	Very low	49.4	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	72%	0.722	S	S	*	*			trans	-67.4	60.8	172.2	-62.6	-83.7	0	0	0	110.5	S68 D72	S68-D70 VanDerWaalsContact CB-OD2 3.24Å; S68-D70 WeakPolarHBondContact CB-OD2 3.24Å; S68-D70 PolarHBondContact OG-OD1 3.02Å; S68-D70 PolarHBondContact OG-OD2 3.3Å; D70-D72 PolarHBondContact O-N 3.23Å
71	Y	48.3	Very low	49.2	Very low	179 Å²	179	139.9 Å²	139.9	70%	0.702	71%	0.713	S	S	*	*			trans	-78	111.5	161.5	-78.4	-70.3	0	0	0	107.4	N69 D73	N69-Y71 HydrophobicContact CB-CD2 4Å; N69-Y71 HydrophobicContact CB-CE2 4.3Å; N69-Y71 PolarHBondContact O-N 3.43Å; Y71-D73 PolarHBondContact O-N 3.42Å
72	D	48.7	Very low	49.4	Very low	163 Å²	163	136.6 Å²	136.6	87%	0.872	70%	0.704	S	S	*	*			trans	-73.8	62.5	172.1	-171.7	17.3	0	0	0	109.3	D70 G74	D70-D72 PolarHBondContact O-N 3.23Å; D72-G74 VanDerWaalsContact C-N 3.28Å; D72-G74 PolarHBondContact O-N 3.11Å; D72-G74 VanDerWaalsContact O-N 3.14Å
73	D	49.4	Very low	49.9	Very low	130 Å²	130	133 Å²	133	70%	0.695	69%	0.69	S	S	*	*			trans	-83.3	76	171.1	59.1	-14.3	0	0	0	110	Y71 E75	Y71-D73 PolarHBondContact O-N 3.42Å; D73-E75 PolarHBondContact O-N 3.04Å
74	G	49.6	Very low	50.7	Low	77 Å²	77	130.9 Å²	130.9	79%	0.794	69%	0.691	S	S	*	*			trans	-63	27.6	176.7	0	0	0	0	0	116.3	D72	D72-G74 VanDerWaalsContact C-N 3.28Å; D72-G74 PolarHBondContact O-N 3.11Å; D72-G74 VanDerWaalsContact O-N 3.14Å
75	E	50.2	Low	51.5	Low	136 Å²	136	126.2 Å²	126.2	64%	0.636	68%	0.675	S	S	*	*	S	Bend	trans	-100.4	112.9	163.2	-64.8	-164.9	166	0	0	108.6	D73 H77	D73-E75 PolarHBondContact O-N 3.04Å; E75-H77 VanDerWaalsContact CB-CD2 3.44Å; E75-H77 WeakPolarHBondContact CB-CD2 3.32Å; E75-H77 WeakPolarHBondContact CB-NE2 3.35Å; E75-H77 PolarHBondContact O-N 3.12Å; E75-H77 IonicContact OE2-CD2 3.67Å; E75-H77 IonicContact OE2-CE1 3.68Å; E75-H77 IonicContact OE2-NE2 2.73Å; E75-H77 PolarHBondContact OE2-NE2 3.5Å
76	E	47.6	Very low	52.5	Low	183 Å²	183	126.6 Å²	126.6	86%	0.855	67%	0.669	S	S	*	*			trans	-68.1	61.5	178.9	-166.4	-175.1	176.2	0	0	111.6	N78	E76-N78 VanDerWaalsContact C-N 3.29Å; E76-N78 PolarHBondContact O-N 3.03Å
77	H	48	Very low	53.5	Low	101 Å²	101	121.9 Å²	121.9	47%	0.468	65%	0.654	S	S	.	*			trans	-74.1	89.2	173.8	-72.9	-71.7	0	0	0	109	E75 Y79	E75-H77 VanDerWaalsContact CB-CD2 3.44Å; E75-H77 WeakPolarHBondContact CB-CD2 3.32Å; E75-H77 WeakPolarHBondContact CB-NE2 3.35Å; E75-H77 PolarHBondContact O-N 3.12Å; E75-H77 IonicContact OE2-CD2 3.67Å; E75-H77 IonicContact OE2-CE1 3.68Å; E75-H77 IonicContact OE2-NE2 2.73Å; E75-H77 PolarHBondContact OE2-NE2 3.5Å; H77-Y79 HydrophobicContact CB-CD2 3.5Å; H77-Y79 HydrophobicContact CB-CE2 3.41Å; H77-Y79 VanDerWaalsContact CB-CE2 3.41Å; H77-Y79 HydrophobicContact CB-CG 4.32Å; H77-Y79 AromaticContact CG-CE2 3.68Å; H77-Y79 AromaticContact ND1-CZ 3.92Å; H77-Y79 PolarHBondContact O-N 3Å
78	N	49.9	Very low	54.5	Low	147 Å²	147	117.4 Å²	117.4	79%	0.786	64%	0.64	S	S	*	*			trans	-69.2	55.6	167.7	-140.6	-28.9	0	0	0	110.1	E76 G80	E76-N78 VanDerWaalsContact C-N 3.29Å; E76-N78 PolarHBondContact O-N 3.03Å; N78-G80 PolarHBondContact O-N 3.45Å; N78-G80 VanDerWaalsContact O-N 3.11Å
79	Y	49.2	Very low	56.1	Low	146 Å²	146	117.8 Å²	117.8	57%	0.573	63%	0.633	S	S	*	*			trans	-62.5	113.9	170.4	-73.6	-62.9	0	0	0	107.2	H77 H81	H77-Y79 HydrophobicContact CB-CD2 3.5Å; H77-Y79 HydrophobicContact CB-CE2 3.41Å; H77-Y79 VanDerWaalsContact CB-CE2 3.41Å; H77-Y79 HydrophobicContact CB-CG 4.32Å; H77-Y79 AromaticContact CG-CE2 3.68Å; H77-Y79 AromaticContact ND1-CZ 3.92Å; H77-Y79 PolarHBondContact O-N 3Å; Y79-H81 WeakPolarHBondContact CB-CD2 3.34Å; Y79-H81 AromaticContact CD2-NE2 3.93Å; Y79-H81 AromaticContact CG-CD2 3.88Å; Y79-H81 AromaticContact CG-NE2 3.58Å; Y79-H81 PolarHBondContact O-N 3Å
80	G	48.7	Very low	57.5	Low	71 Å²	71	119.6 Å²	119.6	73%	0.732	63%	0.63	S	S	*	*			trans	-67.3	52.7	167.5	0	0	0	0	0	112.2	N78 V82	N78-G80 PolarHBondContact O-N 3.45Å; N78-G80 VanDerWaalsContact O-N 3.11Å; G80-V82 PolarHBondContact O-N 3.25Å
81	H	53.7	Low	59	Low	133 Å²	133	119.4 Å²	119.4	62%	0.616	62%	0.623	S	S	*	*			trans	-71	56.4	170.1	-70.8	-40.9	0	0	0	110.4	Y79 N83	Y79-H81 WeakPolarHBondContact CB-CD2 3.34Å; Y79-H81 AromaticContact CD2-NE2 3.93Å; Y79-H81 AromaticContact CG-CD2 3.88Å; Y79-H81 AromaticContact CG-NE2 3.58Å; Y79-H81 PolarHBondContact O-N 3Å; H81-N83 PolarHBondContact O-N 3.31Å
82	V	57.6	Low	60.6	Low	93 Å²	93	114.7 Å²	114.7	56%	0.564	61%	0.609	S	S	*	*			trans	-64.4	89.2	150.7	-178.4	0	0	0	0	105.3	G80 L84 Q87	G80-V82 PolarHBondContact O-N 3.25Å; V82-L84 PolarHBondContact O-N 3.45Å; V82-Q87 HydrophobicContact CG1-CG 4.4Å
83	N	61.2	Low	62.1	Low	93 Å²	93	113.8 Å²	113.8	50%	0.497	60%	0.598	S	S	.	*			trans	-48.3	129.7	-162.8	-93.2	-50.8	0	0	0	111.7	H81 A85 E86 Q87	H81-N83 PolarHBondContact O-N 3.31Å; N83-A85 HydrophobicContact CB-CB 4.36Å; N83-A85 PolarHBondContact O-N 3.3Å; N83-A85 VanDerWaalsContact O-N 3.14Å; N83-E86 HydrophobicContact CB-CB 3.99Å; N83-E86 WeakPolarHBondContact O-CA 3.42Å; N83-E86 WeakPolarHBondContact O-CB 3.35Å; N83-E86 PolarHBondContact O-N 3.39Å; N83-Q87 PolarHBondContact O-N 3.21Å
84	L	65.6	Low	63.6	Low	142 Å²	142	113.5 Å²	113.5	74%	0.743	59%	0.592	S	S	*	*	H	α-helix	trans	-54.2	-33.5	169.8	-179.4	63.8	0	0	0	110.6	V82 S88	V82-L84 PolarHBondContact O-N 3.45Å; L84-S88 VanDerWaalsContact O-CB 3.32Å; L84-S88 WeakPolarHBondContact O-CB 3.33Å; L84-S88 PolarHBondContact O-N 3.1Å; L84-S88 PolarHBondContact O-OG 3.04Å
85	A	68.5	Low	65.1	Low	66 Å²	66	114 Å²	114	55%	0.545	58%	0.576	S	S	.	*	H	α-helix	trans	-62.2	-39.4	170.8	0	0	0	0	0	113.4	N83 S88 M89	N83-A85 HydrophobicContact CB-CB 4.36Å; N83-A85 PolarHBondContact O-N 3.3Å; N83-A85 VanDerWaalsContact O-N 3.14Å; A85-S88 WeakPolarHBondContact CA-OG 3.32Å; A85-S88 PolarHBondContact O-OG 2.91Å; A85-M89 VanDerWaalsContact O-CB 3.25Å; A85-M89 WeakPolarHBondContact O-CB 3.49Å; A85-M89 PolarHBondContact O-N 2.87Å
86	E	66.6	Low	66.4	Low	82 Å²	82	114.4 Å²	114.4	38%	0.383	58%	0.576	S	S	.	*	H	α-helix	trans	-71.7	-43.4	177.9	-159.4	-157.5	151.4	0	0	111.2	N83 S88 M89 R90	N83-E86 HydrophobicContact CB-CB 3.99Å; N83-E86 WeakPolarHBondContact O-CA 3.42Å; N83-E86 WeakPolarHBondContact O-CB 3.35Å; N83-E86 PolarHBondContact O-N 3.39Å; E86-S88 VanDerWaalsContact C-N 3.33Å; E86-S88 PolarHBondContact O-N 3.38Å; E86-M89 PolarHBondContact O-N 3.02Å; E86-R90 WeakPolarHBondContact O-CG 3.44Å; E86-R90 PolarHBondContact O-N 2.95Å; E86-R90 IonicContact OE1-CZ 3.19Å; E86-R90 IonicContact OE1-NE 2.96Å; E86-R90 PolarHBondContact OE1-NE 3.04Å; E86-R90 IonicContact OE1-NH2 2.64Å; E86-R90 PolarHBondContact OE1-NH2 3.37Å
87	Q	69.8	Low	67.5	Low	99 Å²	99	111.3 Å²	111.3	46%	0.463	56%	0.561	S	S	.	*	H	α-helix	trans	-61.2	-41	174.7	-64.2	-170.1	9.5	0	0	112	V82 N83 K91	V82-Q87 HydrophobicContact CG1-CG 4.4Å; N83-Q87 PolarHBondContact O-N 3.21Å; Q87-K91 PolarHBondContact O-N 3.3Å; Q87-K91 VanDerWaalsContact O-N 3.16Å
88	S	71.2	Confident	68.8	Low	64 Å²	64	113.6 Å²	113.6	45%	0.448	57%	0.565	S	S	.	*	H	α-helix	trans	-68.2	-37.6	176.4	74.1	0	0	0	0	111.7	L84 A85 E86 K91 L92	L84-S88 VanDerWaalsContact O-CB 3.32Å; L84-S88 WeakPolarHBondContact O-CB 3.33Å; L84-S88 PolarHBondContact O-N 3.1Å; L84-S88 PolarHBondContact O-OG 3.04Å; A85-S88 WeakPolarHBondContact CA-OG 3.32Å; A85-S88 PolarHBondContact O-OG 2.91Å; E86-S88 VanDerWaalsContact C-N 3.33Å; E86-S88 PolarHBondContact O-N 3.38Å; S88-K91 PolarHBondContact O-N 3.21Å; S88-L92 WeakPolarHBondContact O-CB 3.4Å; S88-L92 PolarHBondContact O-N 3.43Å
89	M	78	Confident	69.8	Low	95 Å²	95	112.9 Å²	112.9	47%	0.468	56%	0.555	S	S	.	*	H	α-helix	trans	-66.2	-40.2	176.4	-168.7	57.2	61.8	0	0	112.4	A85 E86 L92 K93	A85-M89 VanDerWaalsContact O-CB 3.25Å; A85-M89 WeakPolarHBondContact O-CB 3.49Å; A85-M89 PolarHBondContact O-N 2.87Å; E86-M89 PolarHBondContact O-N 3.02Å; M89-L92 PolarHBondContact O-N 3.01Å; M89-L92 HydrophobicContact SD-CD2 4.25Å; M89-K93 WeakPolarHBondContact O-CG 3.44Å; M89-K93 PolarHBondContact O-N 3.41Å
90	R	76	Confident	70.6	Confident	169 Å²	169	112.5 Å²	112.5	64%	0.638	55%	0.554	S	S	*	*	H	α-helix	trans	-59.8	-48.9	173	-70.7	176.6	-175.2	-148.9	5.6	111	E86 L92 K93 E94	E86-R90 WeakPolarHBondContact O-CG 3.44Å; E86-R90 PolarHBondContact O-N 2.95Å; E86-R90 IonicContact OE1-CZ 3.19Å; E86-R90 IonicContact OE1-NE 2.96Å; E86-R90 PolarHBondContact OE1-NE 3.04Å; E86-R90 IonicContact OE1-NH2 2.64Å; E86-R90 PolarHBondContact OE1-NH2 3.37Å; R90-L92 VanDerWaalsContact C-N 3.34Å; R90-L92 PolarHBondContact O-N 3.29Å; R90-K93 PolarHBondContact O-N 2.92Å; R90-E94 PolarHBondContact O-N 3.16Å; R90-E94 VanDerWaalsContact O-N 3.1Å
91	K	81	Confident	71.5	Confident	139 Å²	139	111.6 Å²	111.6	60%	0.604	53%	0.532	S	S	*	.	H	α-helix	trans	-61	-37.7	174.8	-74.5	-177.5	175.9	178.8	0	113.2	Q87 S88 E94 L95	Q87-K91 PolarHBondContact O-N 3.3Å; Q87-K91 VanDerWaalsContact O-N 3.16Å; S88-K91 PolarHBondContact O-N 3.21Å; K91-E94 PolarHBondContact O-N 2.87Å; K91-L95 WeakPolarHBondContact O-CG 3.28Å; K91-L95 PolarHBondContact O-N 2.92Å
92	L	82.1	Confident	72	Confident	79 Å²	79	112.5 Å²	112.5	41%	0.414	54%	0.537	S	S	.	.	H	α-helix	trans	-66.6	-40.2	177.9	-178.1	61	0	0	0	112	S88 M89 R90 K96	S88-L92 WeakPolarHBondContact O-CB 3.4Å; S88-L92 PolarHBondContact O-N 3.43Å; M89-L92 PolarHBondContact O-N 3.01Å; M89-L92 HydrophobicContact SD-CD2 4.25Å; R90-L92 VanDerWaalsContact C-N 3.34Å; R90-L92 PolarHBondContact O-N 3.29Å; L92-K96 WeakPolarHBondContact O-CG 3.48Å; L92-K96 PolarHBondContact O-N 3.31Å
93	K	81.1	Confident	72.1	Confident	145 Å²	145	115.5 Å²	115.5	63%	0.63	54%	0.542	S	S	*	.	H	α-helix	trans	-62.9	-45.5	174.4	-72.4	-179.4	179.2	-175.4	0	111.4	M89 R90 L95 K96 H97	M89-K93 WeakPolarHBondContact O-CG 3.44Å; M89-K93 PolarHBondContact O-N 3.41Å; R90-K93 PolarHBondContact O-N 2.92Å; K93-L95 PolarHBondContact O-N 2.9Å; K93-K96 PolarHBondContact O-N 3.22Å; K93-H97 PolarHBondContact O-N 3.27Å
94	E	79.7	Confident	72	Confident	123 Å²	123	118.8 Å²	118.8	58%	0.575	55%	0.549	S	S	*	.	H	α-helix	trans	-57.8	-48.7	175.9	-170.7	-167.1	157.1	0	0	112	R90 K91 K96 H97 R98	R90-E94 PolarHBondContact O-N 3.16Å; R90-E94 VanDerWaalsContact O-N 3.1Å; K91-E94 PolarHBondContact O-N 2.87Å; E94-K96 PolarHBondContact O-N 3.14Å; E94-H97 PolarHBondContact O-N 2.93Å; E94-R98 PolarHBondContact O-N 2.93Å
95	L	80.4	Confident	71.3	Confident	87 Å²	87	120.1 Å²	120.1	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-62.7	-39.4	177.9	-73.4	171.4	0	0	0	112.9	K91 K93 K99	K91-L95 WeakPolarHBondContact O-CG 3.28Å; K91-L95 PolarHBondContact O-N 2.92Å; K93-L95 PolarHBondContact O-N 2.9Å; L95-K99 WeakPolarHBondContact O-CB 3.44Å; L95-K99 PolarHBondContact O-N 2.95Å
96	K	78.2	Confident	70.3	Confident	146 Å²	146	119.5 Å²	119.5	64%	0.635	55%	0.549	S	S	*	.	H	α-helix	trans	-63.3	-44.3	174.7	-78.4	-175	177.8	-174.5	0	111.4	L92 K93 E94 K99 Y100	L92-K96 WeakPolarHBondContact O-CG 3.48Å; L92-K96 PolarHBondContact O-N 3.31Å; K93-K96 PolarHBondContact O-N 3.22Å; E94-K96 PolarHBondContact O-N 3.14Å; K96-K99 PolarHBondContact O-N 3.44Å; K96-Y100 WeakPolarHBondContact O-CB 3.25Å; K96-Y100 PolarHBondContact O-N 3.34Å
97	H	71.3	Confident	69.5	Low	118 Å²	118	123.4 Å²	123.4	55%	0.546	57%	0.572	S	S	.	*	H	α-helix	trans	-64.8	-45.1	178.5	-173.8	67.9	0	0	0	111.8	K93 E94 K99 Y100 N101	K93-H97 PolarHBondContact O-N 3.27Å; E94-H97 PolarHBondContact O-N 2.93Å; H97-K99 PolarHBondContact O-N 2.82Å; H97-Y100 WeakPolarHBondContact O-CB 3.39Å; H97-Y100 PolarHBondContact O-N 3.01Å; H97-N101 PolarHBondContact CD2-ND2 3.02Å; H97-N101 PolarHBondContact NE2-ND2 3.26Å; H97-N101 VanDerWaalsContact O-CG 3.32Å; H97-N101 PolarHBondContact O-N 3.42Å; H97-N101 PolarHBondContact O-OD1 2.76Å
98	R	74	Confident	68.4	Low	148 Å²	148	125.9 Å²	125.9	56%	0.558	59%	0.589	S	S	*	*	H	α-helix	trans	-59.3	-45.3	175.6	-170.2	173.3	72.4	-154.9	5.6	112.1	E94 Y100 N101 E102	E94-R98 PolarHBondContact O-N 2.93Å; R98-Y100 VanDerWaalsContact C-N 3.33Å; R98-Y100 PolarHBondContact O-N 2.96Å; R98-N101 PolarHBondContact O-N 3.24Å; R98-E102 VanDerWaalsContact O-CB 3.32Å; R98-E102 WeakPolarHBondContact O-CB 3.43Å; R98-E102 PolarHBondContact O-N 3.1Å
99	K	71.9	Confident	66.9	Low	132 Å²	132	132 Å²	132	57%	0.574	61%	0.61	S	S	*	*	H	α-helix	trans	-68.1	-30.3	178.5	-172.7	175.1	-177.2	176.8	0	113.1	L95 K96 H97 K103	L95-K99 WeakPolarHBondContact O-CB 3.44Å; L95-K99 PolarHBondContact O-N 2.95Å; K96-K99 PolarHBondContact O-N 3.44Å; H97-K99 PolarHBondContact O-N 2.82Å; K99-K103 WeakPolarHBondContact O-CB 3.32Å; K99-K103 PolarHBondContact O-N 2.83Å; K99-K103 VanDerWaalsContact O-N 3.13Å
100	Y	66.9	Low	65.2	Low	138 Å²	138	135.1 Å²	135.1	54%	0.541	62%	0.623	S	S	.	*	H	α-helix	trans	-66.8	-50.7	171.6	-176.8	-93	0	0	0	110.1	K96 H97 R98 E102 K103 Y104	K96-Y100 WeakPolarHBondContact O-CB 3.25Å; K96-Y100 PolarHBondContact O-N 3.34Å; H97-Y100 WeakPolarHBondContact O-CB 3.39Å; H97-Y100 PolarHBondContact O-N 3.01Å; R98-Y100 VanDerWaalsContact C-N 3.33Å; R98-Y100 PolarHBondContact O-N 2.96Å; Y100-E102 VanDerWaalsContact C-N 3.3Å; Y100-E102 PolarHBondContact O-N 2.82Å; Y100-K103 PolarHBondContact O-N 2.64Å; Y100-K103 VanDerWaalsContact O-N 3.09Å; Y100-Y104 HydrophobicContact CD1-CD2 4.36Å; Y100-Y104 AromaticContact CD2-CD2 3.51Å; Y100-Y104 HydrophobicContact CD2-CD2 3.51Å; Y100-Y104 AromaticContact CD2-CE2 3.7Å; Y100-Y104 HydrophobicContact CD2-CE2 3.7Å; Y100-Y104 HydrophobicContact CE1-CD2 4.32Å; Y100-Y104 AromaticContact CE2-CD2 3.45Å; Y100-Y104 HydrophobicContact CE2-CD2 3.45Å; Y100-Y104 VanDerWaalsContact CE2-CD2 3.45Å; Y100-Y104 AromaticContact CE2-CE2 3.6Å; Y100-Y104 HydrophobicContact CE2-CE2 3.6Å; Y100-Y104 HydrophobicContact CE2-CG 4.23Å; Y100-Y104 AromaticContact CG-CD2 3.98Å; Y100-Y104 HydrophobicContact CG-CD2 3.98Å; Y100-Y104 AromaticContact CZ-CD2 3.88Å; Y100-Y104 WeakPolarHBondContact O-CB 3.46Å; Y100-Y104 WeakPolarHBondContact O-CD2 3.44Å; Y100-Y104 PolarHBondContact O-N 2.72Å
101	N	67.1	Low	63.4	Low	52 Å²	52	135.3 Å²	135.3	28%	0.278	63%	0.632	S	S	.	*	H	α-helix	trans	-60.3	-39.7	177.4	-63.5	-8.8	0	0	0	111.7	H97 R98 K103 Y104 K105	H97-N101 PolarHBondContact CD2-ND2 3.02Å; H97-N101 PolarHBondContact NE2-ND2 3.26Å; H97-N101 VanDerWaalsContact O-CG 3.32Å; H97-N101 PolarHBondContact O-N 3.42Å; H97-N101 PolarHBondContact O-OD1 2.76Å; R98-N101 PolarHBondContact O-N 3.24Å; N101-K103 VanDerWaalsContact C-N 3.33Å; N101-K103 PolarHBondContact O-N 2.87Å; N101-Y104 PolarHBondContact O-N 3.11Å; N101-K105 WeakPolarHBondContact O-CB 3.35Å; N101-K105 PolarHBondContact O-N 2.78Å
102	E	63.4	Low	61.4	Low	152 Å²	152	137.5 Å²	137.5	71%	0.71	64%	0.644	S	S	*	*	H	α-helix	trans	-66.9	-28.2	176.3	-172.9	176.7	-152.9	0	0	113.7	R98 Y100	R98-E102 VanDerWaalsContact O-CB 3.32Å; R98-E102 WeakPolarHBondContact O-CB 3.43Å; R98-E102 PolarHBondContact O-N 3.1Å; Y100-E102 VanDerWaalsContact C-N 3.3Å; Y100-E102 PolarHBondContact O-N 2.82Å
103	K	60	Low	59.4	Low	156 Å²	156	141.6 Å²	141.6	68%	0.678	66%	0.661	S	S	*	*	H	α-helix	trans	-88.4	-24.5	176	-87.8	-159.5	165.9	-156.7	0	114.8	K99 Y100 N101	K99-K103 WeakPolarHBondContact O-CB 3.32Å; K99-K103 PolarHBondContact O-N 2.83Å; K99-K103 VanDerWaalsContact O-N 3.13Å; Y100-K103 PolarHBondContact O-N 2.64Å; Y100-K103 VanDerWaalsContact O-N 3.09Å; N101-K103 VanDerWaalsContact C-N 3.33Å; N101-K103 PolarHBondContact O-N 2.87Å
104	Y	59.6	Low	57.3	Low	163 Å²	163	138.9 Å²	138.9	64%	0.639	67%	0.674	S	S	*	*	H	α-helix	trans	-122.2	-9.3	-169.3	-67.2	-76.4	0	0	0	114.5	Y100 N101 G106	Y100-Y104 HydrophobicContact CD1-CD2 4.36Å; Y100-Y104 AromaticContact CD2-CD2 3.51Å; Y100-Y104 HydrophobicContact CD2-CD2 3.51Å; Y100-Y104 AromaticContact CD2-CE2 3.7Å; Y100-Y104 HydrophobicContact CD2-CE2 3.7Å; Y100-Y104 HydrophobicContact CE1-CD2 4.32Å; Y100-Y104 AromaticContact CE2-CD2 3.45Å; Y100-Y104 HydrophobicContact CE2-CD2 3.45Å; Y100-Y104 VanDerWaalsContact CE2-CD2 3.45Å; Y100-Y104 AromaticContact CE2-CE2 3.6Å; Y100-Y104 HydrophobicContact CE2-CE2 3.6Å; Y100-Y104 HydrophobicContact CE2-CG 4.23Å; Y100-Y104 AromaticContact CG-CD2 3.98Å; Y100-Y104 HydrophobicContact CG-CD2 3.98Å; Y100-Y104 AromaticContact CZ-CD2 3.88Å; Y100-Y104 WeakPolarHBondContact O-CB 3.46Å; Y100-Y104 WeakPolarHBondContact O-CD2 3.44Å; Y100-Y104 PolarHBondContact O-N 2.72Å; N101-Y104 PolarHBondContact O-N 3.11Å; Y104-G106 VanDerWaalsContact C-N 3.33Å; Y104-G106 PolarHBondContact O-N 3.11Å
105	K	51.3	Low	55.1	Low	169 Å²	169	134.3 Å²	134.3	74%	0.735	66%	0.66	S	S	*	*			trans	-82.6	81.7	159.9	-71.1	-161.1	167.2	-158.9	0	109.7	N101	N101-K105 WeakPolarHBondContact O-CB 3.35Å; N101-K105 PolarHBondContact O-N 2.78Å
106	G	47.2	Very low	52.9	Low	53 Å²	53	139 Å²	139	55%	0.546	68%	0.68	S	S	.	*			trans	-80.7	123.1	154.1	0	0	0	0	0	109.4	Y104 N108	Y104-G106 VanDerWaalsContact C-N 3.33Å; Y104-G106 PolarHBondContact O-N 3.11Å; G106-N108 VanDerWaalsContact C-N 3.26Å; G106-N108 PolarHBondContact O-N 2.85Å
107	D	49.7	Very low	51	Low	164 Å²	164	140 Å²	140	88%	0.877	68%	0.681	S	S	*	*	S	Bend	trans	46.5	16.4	143.1	-53.6	-10.1	0	0	0	121.4
108	N	46.1	Very low	49.6	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	68%	0.677	S	S	*	*			trans	-98.2	84.3	164.5	-84	25.9	0	0	0	110.9	G106 E110	G106-N108 VanDerWaalsContact C-N 3.26Å; G106-N108 PolarHBondContact O-N 2.85Å; N108-E110 VanDerWaalsContact C-N 3.32Å; N108-E110 PolarHBondContact O-N 3.03Å
109	E	39.2	Very low	48.1	Very low	193 Å²	193	139.8 Å²	139.8	90%	0.902	70%	0.695	S	S	*	*			trans	-74	84.3	152.4	-71.2	-172.8	154.7	0	0	108.9
110	E	42.3	Very low	46.7	Very low	159 Å²	159	142.2 Å²	142.2	74%	0.743	70%	0.7	S	S	*	*			trans	-154.9	117.7	164.5	-117.4	157.4	-149.4	0	0	111.7	N108	N108-E110 VanDerWaalsContact C-N 3.32Å; N108-E110 PolarHBondContact O-N 3.03Å
111	E	39.1	Very low	45.7	Very low	173 Å²	173	146.9 Å²	146.9	81%	0.808	72%	0.718	S	S	*	*			trans	69	147.8	147	-63	-177.2	155.7	0	0	122.2
112	E	37.9	Very low	44.5	Very low	186 Å²	186	154.9 Å²	154.9	87%	0.869	75%	0.746	S	S	*	*			trans	41.9	102.1	162.8	-61.6	-166.5	138	0	0	120.8
113	E	42	Very low	43.5	Very low	164 Å²	164	158.3 Å²	158.3	77%	0.766	75%	0.753	S	S	*	*			trans	-143.4	59.3	131.1	-147.4	171.3	-160.8	0	0	112.7	G115 Y117	E113-G115 PolarHBondContact O-N 2.74Å; E113-Y117 HydrophobicContact CG-CE2 4.31Å
114	G	35.2	Very low	42.6	Very low	88 Å²	88	156.3 Å²	156.3	91%	0.907	76%	0.756	S	S	*	*			trans	-73	71.8	149.4	0	0	0	0	0	108.7
115	G	33.7	Very low	41.5	Very low	27 Å²	27	159.1 Å²	159.1	28%	0.278	77%	0.765	S	S	.	*			trans	-130.2	98.7	-161.3	0	0	0	0	0	114.4	E113 Y117	E113-G115 PolarHBondContact O-N 2.74Å; G115-Y117 VanDerWaalsContact C-N 3.3Å; G115-Y117 PolarHBondContact O-N 2.9Å
116	E	34.2	Very low	41	Very low	186 Å²	186	157.5 Å²	157.5	87%	0.869	77%	0.765	S	S	*	*			trans	-72.2	81	170.4	-66.4	-177.2	147.4	0	0	110.8	N118	E116-N118 PolarHBondContact O-ND2 3.02Å
117	Y	39.5	Very low	41.1	Very low	166 Å²	166	164 Å²	164	65%	0.651	78%	0.781	S	S	*	*			trans	-129.2	127.3	-177.9	-45	-58.1	0	0	0	113.1	E113 G115	E113-Y117 HydrophobicContact CG-CE2 4.31Å; G115-Y117 VanDerWaalsContact C-N 3.3Å; G115-Y117 PolarHBondContact O-N 2.9Å
118	N	41.4	Very low	40.7	Very low	89 Å²	89	161.1 Å²	161.1	48%	0.476	77%	0.771	S	S	.	*			cis	-164.7	127.7	-24.8	-139.1	-86.2	0	0	0	106.3	E116 R120	E116-N118 PolarHBondContact O-ND2 3.02Å; N118-R120 HydrophobicContact CB-CG 4.11Å; N118-R120 PolarHBondContact O-N 2.77Å; N118-R120 WeakPolarHBondContact OD1-CG 3.24Å; N118-R120 PolarHBondContact OD1-NE 2.73Å
119	N	42.4	Very low	40.5	Very low	173 Å²	173	161.2 Å²	161.2	93%	0.925	77%	0.772	S	S	*	*			trans	-74.2	59.6	-178	-84.8	-28.6	0	0	0	112.7
120	R	43.5	Very low	40.6	Very low	184 Å²	184	159 Å²	159	69%	0.694	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	4.3	-170	-76.7	-168.5	-78.2	-161.9	-7.6	116.4	N118 Y122	N118-R120 HydrophobicContact CB-CG 4.11Å; N118-R120 PolarHBondContact O-N 2.77Å; N118-R120 WeakPolarHBondContact OD1-CG 3.24Å; N118-R120 PolarHBondContact OD1-NE 2.73Å; R120-Y122 VanDerWaalsContact C-N 3.34Å
121	Y	44	Very low	40.8	Very low	235 Å²	235	160.5 Å²	160.5	92%	0.922	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-0.3	174.6	-77.3	-75.9	0	0	0	114.9
122	Y	43.3	Very low	41.1	Very low	220 Å²	220	157.1 Å²	157.1	86%	0.863	77%	0.767	S	S	*	*			trans	-112.8	86.7	166.3	-84.2	-88.1	0	0	0	110.3	R120	R120-Y122 VanDerWaalsContact C-N 3.34Å
123	R	42.9	Very low	41.4	Very low	225 Å²	225	153 Å²	153	85%	0.849	75%	0.754	S	S	*	*			trans	-130.4	110.3	155.3	-161.8	172.9	-177.5	-170.9	-3.2	109.1
124	P	40.2	Very low	41.5	Very low	113 Å²	113	153.6 Å²	153.6	73%	0.734	76%	0.757	S	S	*	*			trans	-59.1	160.8	172.4	-24.1	35.1	0	0	0	112.1
125	R	37.2	Very low	42	Very low	222 Å²	222	158 Å²	158	84%	0.838	75%	0.754	S	S	*	*	S	Bend	trans	-37.5	155.8	164.6	-115.1	175.7	-176.2	159.2	-0.9	113.7
126	D	39.5	Very low	42.3	Very low	136 Å²	136	162.9 Å²	162.9	73%	0.727	78%	0.779	S	S	*	*			trans	83.4	97.8	160.7	-43.4	-32.1	0	0	0	116.6
127	E	49.4	Very low	43	Very low	190 Å²	190	160.5 Å²	160.5	89%	0.888	78%	0.777	S	S	*	*				169.9	137	121.4	-91.2	173.7	177.8	0	0	111.7
128	P	41.4	Very low	43.2	Very low	103 Å²	103	162 Å²	162	67%	0.669	79%	0.79	S	S	*	*			trans	-104.6	157.7	-179	39.8	-33.5	0	0	0	114.2
129	D	41.5	Very low	43.9	Very low	154 Å²	154	160.6 Å²	160.6	82%	0.824	80%	0.796	S	S	*	*			trans	172.4	98.9	154.4	-88.8	-21.8	0	0	0	105.7
130	I	41.3	Very low	44.4	Very low	146 Å²	146	158.4 Å²	158.4	75%	0.749	79%	0.791	S	S	*	*				71.2	129	65.9	-51.3	166.5	0	0	0	113
131	E	46.2	Very low	45	Very low	190 Å²	190	161 Å²	161	89%	0.888	80%	0.801	S	S	*	*			trans	72.3	137.5	173.5	-141.6	155.3	-137.6	0	0	114.2
132	S	46.5	Very low	45.3	Very low	103 Å²	103	161.2 Å²	161.2	72%	0.72	80%	0.8	S	S	*	*			cis	-166	163.6	0.9	129.4	0	0	0	0	108
133	T	43.2	Very low	46.1	Very low	98 Å²	98	156.3 Å²	156.3	60%	0.601	79%	0.794	S	S	*	*			cis	-175.2	147.7	-19.3	-84.9	0	0	0	0	107.9
134	E	44.7	Very low	46.5	Very low	178 Å²	178	152.2 Å²	152.2	83%	0.832	79%	0.794	S	S	*	*			trans	66.4	150.4	169.6	-77	153	-144.4	0	0	117.1
135	E	45.5	Very low	47.5	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	79%	0.794	S	S	*	*			cis	-135.1	137.7	37.9	-170.6	175.1	-147.8	0	0	113.6
136	T	39.5	Very low	48.9	Very low	129 Å²	129	147.2 Å²	147.2	79%	0.791	79%	0.786	S	S	*	*			trans	-103.2	124.1	179.1	46.7	0	0	0	0	112.4
137	T	49	Very low	50.2	Low	135 Å²	135	146.1 Å²	146.1	83%	0.828	79%	0.786	S	S	*	*			trans	-108.8	118.9	169.5	-54.4	0	0	0	0	110.6
138	E	45	Very low	50.9	Low	199 Å²	199	144.5 Å²	144.5	93%	0.93	78%	0.782	S	S	*	*			trans	-68.9	135.2	-179.7	-73.9	-172.6	111	0	0	113.1
139	G	55	Low	51.8	Low	58 Å²	58	148.9 Å²	148.9	60%	0.598	79%	0.791	S	S	*	*			trans	-135.4	147.5	166.6	0	0	0	0	0	109.9	R141	G139-R141 PolarHBondContact O-N 2.7Å; G139-R141 VanDerWaalsContact O-N 3.12Å
140	P	52.8	Low	52.4	Low	127 Å²	127	147.8 Å²	147.8	83%	0.825	79%	0.79	S	S	*	*			trans	-66.1	114.6	-159.9	24	-34.3	0	0	0	113.2	R142	P140-R142 PolarHBondContact O-N 3.41Å
141	R	57	Low	53.2	Low	238 Å²	238	143.7 Å²	143.7	90%	0.898	78%	0.784	S	S	*	*			trans	-59.9	105.2	169.9	-70.7	177.3	170.6	175	-2.9	109.8	G139 T143	G139-R141 PolarHBondContact O-N 2.7Å; G139-R141 VanDerWaalsContact O-N 3.12Å; R141-T143 PolarHBondContact O-N 2.64Å; R141-T143 VanDerWaalsContact O-N 3.11Å
142	R	50.1	Low	53.1	Low	240 Å²	240	147.9 Å²	147.9	91%	0.906	80%	0.804	S	S	*	*			trans	-70.4	104.3	169.1	-68.5	-177.4	70.8	176.5	1.6	108.6	P140	P140-R142 PolarHBondContact O-N 3.41Å
143	T	60.1	Low	53.4	Low	118 Å²	118	150.2 Å²	150.2	72%	0.724	81%	0.808	S	S	*	*			trans	-69.9	127	174.6	44.8	0	0	0	0	110.6	R141 T145	R141-T143 PolarHBondContact O-N 2.64Å; R141-T143 VanDerWaalsContact O-N 3.11Å; T143-T145 PolarHBondContact O-N 3.25Å
144	T	52.2	Low	53.9	Low	139 Å²	139	152.9 Å²	152.9	85%	0.853	82%	0.819	S	S	*	*			trans	-76.2	87.5	173.6	-40.9	0	0	0	0	109.5
145	T	60.1	Low	54.5	Low	119 Å²	119	151.5 Å²	151.5	73%	0.73	82%	0.818	S	S	*	*			trans	-85.9	109.2	171.5	-55.8	0	0	0	0	109.2	T143	T143-T145 PolarHBondContact O-N 3.25Å
146	T	67.9	Low	55	Low	111 Å²	111	149.8 Å²	149.8	68%	0.681	82%	0.816	S	S	*	*			trans	-69.7	138	168.4	40.9	0	0	0	0	110.1	I148	T146-I148 PolarHBondContact O-N 2.91Å
147	P	66.5	Low	56	Low	113 Å²	113	151.1 Å²	151.1	73%	0.734	82%	0.818	S	S	*	*			trans	-70.3	125.4	175.9	28.2	-32.9	0	0	0	110.1	F149	P147-F149 PolarHBondContact O-N 3.14Å
148	I	63.7	Low	56.4	Low	155 Å²	155	152.1 Å²	152.1	80%	0.795	82%	0.817	S	S	*	*			trans	-73	114.3	167.3	-60.1	172.9	0	0	0	107.1	T146 T150	T146-I148 PolarHBondContact O-N 2.91Å; I148-T150 HydrophobicContact CG2-CG2 4.21Å; I148-T150 PolarHBondContact O-N 2.74Å
149	F	60.7	Low	57.2	Low	195 Å²	195	148.8 Å²	148.8	86%	0.855	81%	0.809	S	S	*	*			trans	-82.6	93.5	177.5	-134	-89	0	0	0	109.5	P147	P147-F149 PolarHBondContact O-N 3.14Å
150	T	53.1	Low	57.4	Low	131 Å²	131	155.8 Å²	155.8	80%	0.804	83%	0.826	S	S	*	*			trans	-95.6	101	164.2	51.2	0	0	0	0	108.8	I148	I148-T150 HydrophobicContact CG2-CG2 4.21Å; I148-T150 PolarHBondContact O-N 2.74Å
151	G	58	Low	57.8	Low	61 Å²	61	158.2 Å²	158.2	63%	0.629	83%	0.826	S	S	*	*			trans	-115.2	115.3	171.7	0	0	0	0	0	110.2
152	E	44.4	Very low	57.9	Low	278 Å²	278	150.9 Å²	150.9	100%	1.299	82%	0.819	S	S	*	*			trans	64.6	0	173	-56.5	-169.7	159.7	0	0	118.2

Retrieved 152 of 152 residues in 81.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).