A0A075BPH5_HUMAN Loading...

Methyl CpG binding protein 2

AlphaFold DB , UniProt , Accession A0A075BPH5, Species HUMAN (Homo sapiens, Human), Gene MECP2, Length 116 aa.

						>A0A075BPH5_HUMAN|A0A075BPH5|MECP2
EEKSEDQDLQGLKDKPLKFKKVKKDKKEEKEGKHEPVQPSAHHSAEPAEAGKAETSEGSGSAPAVPEASASPKQRRSIIRDRGPMYDDPTLPEGWTRKLKQRKSGRSAGKYDVYLI
					

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(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	E	43	Very low	48	Very low	247 Å²	247	137.5 Å²	137.5	100%	1.154	71%	0.71	S	S	*	*				0	5.9	0	-146.2	172.1	93.5	0	0	113.9
2	E	50.1	Low	48.3	Very low	193 Å²	193	136.2 Å²	136.2	90%	0.902	70%	0.704	S	S	*	*			trans	-96.7	5.2	-170.3	-141.9	-171.5	110.6	0	0	115.4
3	K	42.6	Very low	48.6	Very low	183 Å²	183	136.8 Å²	136.8	80%	0.796	70%	0.698	S	S	*	*	S	Bend	trans	-103.1	3.4	-170.4	-146.4	171.8	-179	176.2	0	114.7
4	S	51.2	Low	48.6	Very low	95 Å²	95	137.4 Å²	137.4	66%	0.664	70%	0.704	S	S	*	*	S	Bend	trans	-92.3	-28.9	-175.8	-161.9	0	0	0	0	113.5
5	E	50.4	Low	49	Very low	165 Å²	165	138.3 Å²	138.3	77%	0.771	70%	0.701	S	S	*	*	H	α-helix	trans	-78.4	-31.7	-172.3	-171.3	133.3	77.7	0	0	112.8	Q7	E5-Q7 VanDerWaalsContact C-N 3.32Å; E5-Q7 PolarHBondContact O-N 2.66Å
6	D	48	Very low	48.8	Very low	109 Å²	109	136.8 Å²	136.8	58%	0.583	70%	0.703	S	S	*	*	H	α-helix	trans	-71	-26.8	177.8	-168.2	-103.8	0	0	0	112.5	Q10	D6-Q10 WeakPolarHBondContact O-CG 3.46Å; D6-Q10 PolarHBondContact O-NE2 3.47Å; D6-Q10 PolarHBondContact OD1-NE2 3.33Å
7	Q	46.9	Very low	49.2	Very low	132 Å²	132	138.8 Å²	138.8	62%	0.617	71%	0.714	S	S	*	*	H	α-helix	trans	-75.8	-32.2	-180	-89.2	-171.7	83.9	0	0	114.2	E5 L9 Q10	E5-Q7 VanDerWaalsContact C-N 3.32Å; E5-Q7 PolarHBondContact O-N 2.66Å; Q7-L9 VanDerWaalsContact C-N 3.25Å; Q7-L9 PolarHBondContact O-N 2.68Å; Q7-Q10 WeakPolarHBondContact O-CB 2.99Å; Q7-Q10 PolarHBondContact O-N 3.14Å
8	D	50	Low	49.5	Very low	122 Å²	122	140.7 Å²	140.7	65%	0.652	72%	0.716	S	S	*	*	H	α-helix	trans	-65.4	-33	178.4	-169.1	-105.1	0	0	0	111.7	Q10 G11	D8-Q10 PolarHBondContact O-N 3.22Å; D8-G11 PolarHBondContact O-N 2.94Å
9	L	52.1	Low	49.7	Very low	124 Å²	124	143.7 Å²	143.7	65%	0.649	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-16.9	174.9	-59.1	178.5	0	0	0	112.9	Q7	Q7-L9 VanDerWaalsContact C-N 3.25Å; Q7-L9 PolarHBondContact O-N 2.68Å
10	Q	48.3	Very low	49.6	Very low	80 Å²	80	146 Å²	146	37%	0.374	73%	0.729	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.7	-25.2	-177.6	-41.9	-166.6	61.7	0	0	113.9	D6 Q7 D8 L12 K13	D6-Q10 WeakPolarHBondContact O-CG 3.46Å; D6-Q10 PolarHBondContact O-NE2 3.47Å; D6-Q10 PolarHBondContact OD1-NE2 3.33Å; Q7-Q10 WeakPolarHBondContact O-CB 2.99Å; Q7-Q10 PolarHBondContact O-N 3.14Å; D8-Q10 PolarHBondContact O-N 3.22Å; Q10-L12 PolarHBondContact O-N 2.68Å; Q10-K13 VanDerWaalsContact O-CE 3.26Å; Q10-K13 WeakPolarHBondContact O-CE 3.32Å; Q10-K13 WeakPolarHBondContact O-CG 3.3Å
11	G	45.3	Very low	49.6	Very low	63 Å²	63	148.9 Å²	148.9	65%	0.649	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-72.1	-12.5	178.3	0	0	0	0	0	114.1	D8	D8-G11 PolarHBondContact O-N 2.94Å
12	L	51.7	Low	50	Low	121 Å²	121	143.5 Å²	143.5	63%	0.634	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-87.7	-8.2	-177.1	-113.5	119.6	0	0	0	114.9	Q10	Q10-L12 PolarHBondContact O-N 2.68Å
13	K	52.4	Low	49.9	Very low	145 Å²	145	143.3 Å²	143.3	63%	0.63	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-85.3	-7.7	-179	28.5	176.7	164.6	167.5	0	114.4	Q10	Q10-K13 VanDerWaalsContact O-CE 3.26Å; Q10-K13 WeakPolarHBondContact O-CE 3.32Å; Q10-K13 WeakPolarHBondContact O-CG 3.3Å
14	D	48.4	Very low	49.9	Very low	145 Å²	145	144.2 Å²	144.2	78%	0.775	72%	0.721	S	S	*	*			trans	-99.5	22.5	-175.3	-108.8	-78.7	0	0	0	115.4	P16	D14-P16 VanDerWaalsContact O-CD 3.31Å; D14-P16 WeakPolarHBondContact O-CD 3.25Å
15	K	54.2	Low	49.7	Very low	151 Å²	151	146.2 Å²	146.2	66%	0.657	72%	0.724	S	S	*	*			trans	-92.7	112	173.6	-82.5	162.1	170.8	169.9	0	110.4	L17	K15-L17 PolarHBondContact O-N 2.86Å
16	P	46.4	Very low	49.3	Very low	114 Å²	114	147.1 Å²	147.1	74%	0.74	73%	0.726	S	S	*	*			trans	-69.8	101.2	175.5	27.4	-32.7	0	0	0	110.1	D14 K18	D14-P16 VanDerWaalsContact O-CD 3.31Å; D14-P16 WeakPolarHBondContact O-CD 3.25Å; P16-K18 PolarHBondContact O-N 2.81Å
17	L	55.2	Low	48.8	Very low	171 Å²	171	149.4 Å²	149.4	90%	0.895	73%	0.731	S	S	*	*			trans	-73.5	86.7	176.3	-130.4	86.9	0	0	0	110	K15	K15-L17 PolarHBondContact O-N 2.86Å
18	K	54	Low	48.7	Very low	172 Å²	172	152.4 Å²	152.4	75%	0.748	74%	0.744	S	S	*	*			trans	-95.3	87.2	171.6	-67.6	-165.1	-174.5	177.3	0	111.3	P16	P16-K18 PolarHBondContact O-N 2.81Å
19	F	54.3	Low	48.3	Very low	199 Å²	199	153.2 Å²	153.2	87%	0.873	75%	0.745	S	S	*	*			trans	-148.4	100.1	156.4	-78.6	-68.7	0	0	0	114.3
20	K	47.3	Very low	48	Very low	188 Å²	188	156.9 Å²	156.9	82%	0.817	76%	0.755	S	S	*	*			trans	42.2	107.3	132.3	-53	-173.7	90.7	165.1	0	119.1	V22	K20-V22 PolarHBondContact O-N 2.98Å
21	K	49.7	Very low	47.4	Very low	207 Å²	207	162.7 Å²	162.7	90%	0.9	78%	0.782	S	S	*	*			trans	-36.1	121.1	153.1	-170.9	166.9	-176.9	168.8	0	113.1
22	V	50.9	Low	47.1	Very low	135 Å²	135	163.1 Å²	163.1	82%	0.818	79%	0.787	S	S	*	*			trans	-134.4	111.6	154.5	-170.3	0	0	0	0	108.6	K20	K20-V22 PolarHBondContact O-N 2.98Å
23	K	47.5	Very low	46.4	Very low	189 Å²	189	166.5 Å²	166.5	82%	0.822	80%	0.796	S	S	*	*			trans	-70.1	116.4	168.5	176.2	173.5	175.7	172.4	0	107.7
24	K	44.2	Very low	45.7	Very low	202 Å²	202	168 Å²	168	88%	0.878	81%	0.805	S	S	*	*			trans	-143.6	99.3	157.3	-164.9	142.1	-178.9	175.2	0	110.9
25	D	46.3	Very low	45	Very low	136 Å²	136	168.8 Å²	168.8	73%	0.727	80%	0.804	S	S	*	*			trans	-59.7	167.6	160	-148.2	-87.3	0	0	0	111
26	K	42	Very low	44.7	Very low	185 Å²	185	167.7 Å²	167.7	80%	0.804	81%	0.812	S	S	*	*			trans	88	103.7	168.1	-154.7	105.1	84.9	173.8	0	116.8
27	K	38.3	Very low	44.3	Very low	157 Å²	157	167.1 Å²	167.1	68%	0.683	81%	0.806	S	S	*	*				171.3	112	81	-162.9	173.3	177.4	-160.1	0	109.5	E29	K27-E29 WeakPolarHBondContact CE-OE2 3.37Å; K27-E29 IonicContact NZ-OE2 3.14Å; K27-E29 PolarHBondContact NZ-OE2 3.29Å
28	E	44.3	Very low	43.6	Very low	194 Å²	194	168 Å²	168	91%	0.907	81%	0.806	S	S	*	*			trans	-73.3	121.6	159.4	-165.2	-172.6	120.9	0	0	107.3
29	E	41.5	Very low	43.3	Very low	140 Å²	140	165.3 Å²	165.3	65%	0.654	81%	0.806	S	S	*	*			trans	-153.5	100.6	162.1	-155	177.3	131.1	0	0	110.7	K27	K27-E29 WeakPolarHBondContact CE-OE2 3.37Å; K27-E29 IonicContact NZ-OE2 3.14Å; K27-E29 PolarHBondContact NZ-OE2 3.29Å
30	K	44.8	Very low	42.7	Very low	201 Å²	201	161.4 Å²	161.4	87%	0.874	80%	0.803	S	S	*	*			trans	36.6	98.9	144.6	-65.5	-160.1	172.4	-171.7	0	118.9
31	E	36.2	Very low	42.6	Very low	202 Å²	202	155.6 Å²	155.6	94%	0.944	79%	0.791	S	S	*	*			trans	-94.9	123.4	150.5	-66.5	-162.5	106.7	0	0	110.4
32	G	39.2	Very low	42	Very low	72 Å²	72	152.9 Å²	152.9	74%	0.742	78%	0.781	S	S	*	*			trans	69	86.6	133.6	0	0	0	0	0	118.2	H34	G32-H34 PolarHBondContact O-N 3.08Å
33	K	36.8	Very low	41.6	Very low	192 Å²	192	153.9 Å²	153.9	84%	0.835	78%	0.776	S	S	*	*			trans	-21.8	117.9	150.8	-107.9	161.2	167.8	-92.4	0	114.5	E35	K33-E35 PolarHBondContact O-N 2.8Å
34	H	37.3	Very low	41.2	Very low	175 Å²	175	151.3 Å²	151.3	81%	0.81	78%	0.782	S	S	*	*			trans	-29	119.9	142.6	1.4	-100.9	0	0	0	113.8	G32	G32-H34 PolarHBondContact O-N 3.08Å
35	E	34.3	Very low	41	Very low	163 Å²	163	145.7 Å²	145.7	76%	0.762	77%	0.773	S	S	*	*			trans	-149.3	117.2	154.7	-166.8	-172.6	105.5	0	0	108.9	K33 V37	K33-E35 PolarHBondContact O-N 2.8Å; E35-V37 HydrophobicContact CG-CB 4.23Å; E35-V37 HydrophobicContact CG-CG2 3.89Å
36	P	47.2	Very low	40.7	Very low	127 Å²	127	148 Å²	148	83%	0.825	78%	0.78	S	S	*	*			trans	-119.8	97.6	145.6	32.6	-23.7	0	0	0	108.1
37	V	38.3	Very low	41	Very low	102 Å²	102	144.9 Å²	144.9	62%	0.618	78%	0.778	S	S	*	*			trans	-128.6	89.5	172.3	-172.1	0	0	0	0	109.2	E35	E35-V37 HydrophobicContact CG-CB 4.23Å; E35-V37 HydrophobicContact CG-CG2 3.89Å
38	Q	41.3	Very low	41.3	Very low	190 Å²	190	142 Å²	142	89%	0.888	78%	0.784	S	S	*	*			trans	-135.7	104.3	142.8	-75.6	-158.5	11.3	0	0	109.1
39	P	47.3	Very low	41.3	Very low	115 Å²	115	141.9 Å²	141.9	75%	0.747	78%	0.783	S	S	*	*			trans	-95.3	104.8	155.4	32.5	-22	0	0	0	107.8
40	S	42.6	Very low	41.2	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	79%	0.788	S	S	*	*			trans	-116.1	83.7	156.5	-147.4	0	0	0	0	107.6
41	A	44.5	Very low	41.1	Very low	66 Å²	66	133.4 Å²	133.4	55%	0.545	78%	0.782	S	S	.	*			trans	-58.6	138.3	150.3	0	0	0	0	0	107.3
42	H	37.8	Very low	41.5	Very low	150 Å²	150	133.8 Å²	133.8	69%	0.694	78%	0.78	S	S	*	*				172.4	106.4	109.8	-92.4	-100.3	0	0	0	110.2
43	H	41.8	Very low	41.6	Very low	157 Å²	157	134.5 Å²	134.5	73%	0.727	78%	0.779	S	S	*	*				81.4	104.7	123.8	-58.4	-158	0	0	0	117.9
44	S	39.2	Very low	41.6	Very low	135 Å²	135	134.1 Å²	134.1	94%	0.944	78%	0.78	S	S	*	*			trans	-137.9	111.2	134.2	-149	0	0	0	0	107.3
45	A	40.7	Very low	41.8	Very low	83 Å²	83	131.9 Å²	131.9	69%	0.686	78%	0.779	S	S	*	*			trans	-112	140.4	-176.6	0	0	0	0	0	109.6
46	E	39.1	Very low	42.4	Very low	186 Å²	186	129.9 Å²	129.9	87%	0.869	78%	0.783	S	S	*	*			trans	76.9	150.6	148.3	-136.2	162.1	95.8	0	0	117.8
47	P	47.8	Very low	42.2	Very low	119 Å²	119	132.9 Å²	132.9	77%	0.773	79%	0.786	S	S	*	*			cis	-131.8	168	20	21.9	5.5	0	0	0	120.5
48	A	45.8	Very low	42.4	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	79%	0.793	S	S	*	*			trans	-44.2	148.3	170	0	0	0	0	0	116
49	E	44.6	Very low	42.8	Very low	191 Å²	191	128.8 Å²	128.8	89%	0.893	79%	0.794	S	S	*	*			trans	-123.9	135.7	143.9	-147	-167.2	110	0	0	109.8
50	A	39.4	Very low	42.6	Very low	92 Å²	92	126.5 Å²	126.5	76%	0.76	79%	0.792	S	S	*	*			trans	-38.5	149.9	165.6	0	0	0	0	0	112.2
51	G	41.1	Very low	42.6	Very low	72 Å²	72	126.8 Å²	126.8	74%	0.742	79%	0.794	S	S	*	*				144.6	159.4	51.7	0	0	0	0	0	107.4
52	K	46.1	Very low	42.6	Very low	210 Å²	210	128 Å²	128	91%	0.913	80%	0.804	S	S	*	*			trans	-73.7	145	-171.1	-54	-175	171.8	-170.4	0	112.1
53	A	39.9	Very low	43.4	Very low	86 Å²	86	126.9 Å²	126.9	71%	0.711	81%	0.81	S	S	*	*			trans	-172.7	105.4	143.7	0	0	0	0	0	107
54	E	37.7	Very low	43.8	Very low	184 Å²	184	124.1 Å²	124.1	86%	0.86	81%	0.814	S	S	*	*				86.5	121.8	88.4	-77.6	-174.5	104.8	0	0	113.7
55	T	41.5	Very low	44.3	Very low	129 Å²	129	124 Å²	124	79%	0.791	81%	0.808	S	S	*	*			trans	-13	135.2	159.6	51.6	0	0	0	0	118
56	S	47.6	Very low	44.9	Very low	121 Å²	121	125.3 Å²	125.3	85%	0.846	81%	0.809	S	S	*	*			trans	-141.5	107.8	137.9	-170.5	0	0	0	0	109.1	G58	S56-G58 PolarHBondContact O-N 2.85Å
57	E	43	Very low	45.5	Very low	189 Å²	189	125.9 Å²	125.9	88%	0.883	81%	0.812	S	S	*	*			trans	-56.7	130.6	159.8	-68.9	-176.7	77.8	0	0	109.2
58	G	42.5	Very low	45.8	Very low	74 Å²	74	123.7 Å²	123.7	76%	0.763	80%	0.804	S	S	*	*			trans	-127.5	82	169.4	0	0	0	0	0	108.2	S56 G60	S56-G58 PolarHBondContact O-N 2.85Å; G58-G60 PolarHBondContact O-N 3.18Å
59	S	49.1	Very low	46.4	Very low	132 Å²	132	124.7 Å²	124.7	92%	0.923	81%	0.805	S	S	*	*			trans	-62.5	124.3	167.5	179.7	0	0	0	0	109.2
60	G	43	Very low	47.1	Very low	68 Å²	68	119.1 Å²	119.1	70%	0.701	79%	0.792	S	S	*	*			trans	-162.7	86.4	-178.9	0	0	0	0	0	112.6	G58	G58-G60 PolarHBondContact O-N 3.18Å
61	S	42.1	Very low	48.2	Very low	122 Å²	122	118 Å²	118	85%	0.853	78%	0.778	S	S	*	*			trans	54.3	116	143.1	-126.9	0	0	0	0	121.3
62	A	45.1	Very low	49.1	Very low	92 Å²	92	120 Å²	120	76%	0.76	78%	0.778	S	S	*	*			trans	20.2	146.9	143.1	0	0	0	0	0	122.9
63	P	53.6	Low	49.9	Very low	126 Å²	126	119 Å²	119	82%	0.818	77%	0.774	S	S	*	*			trans	-88.7	128.7	-163.9	35.8	-32.7	0	0	0	113.6
64	A	50.6	Low	51	Low	99 Å²	99	120 Å²	120	82%	0.818	76%	0.764	S	S	*	*			trans	-151.1	71.8	158.5	0	0	0	0	0	109
65	V	50.5	Low	52.3	Low	133 Å²	133	122.4 Å²	122.4	81%	0.806	77%	0.765	S	S	*	*			trans	-81.4	132.4	166.3	-68.7	0	0	0	0	108.2	E67	V65-E67 PolarHBondContact O-N 3.31Å
66	P	51.9	Low	53.4	Low	111 Å²	111	123.4 Å²	123.4	72%	0.721	75%	0.754	S	S	*	*			trans	-58	132.2	177.6	23.9	-33	0	0	0	109.8	A68	P66-A68 PolarHBondContact O-N 2.9Å
67	E	53	Low	54.1	Low	197 Å²	197	119 Å²	119	92%	0.921	72%	0.723	S	S	*	*			trans	-66.1	52.6	163.6	-167.3	-154.3	104.8	0	0	110	V65 S69	V65-E67 PolarHBondContact O-N 3.31Å; E67-S69 PolarHBondContact O-N 2.93Å
68	A	54.6	Low	55.3	Low	73 Å²	73	114.2 Å²	114.2	60%	0.603	70%	0.703	S	S	*	*			trans	-74.8	109.3	156.5	0	0	0	0	0	104.7	P66 A70	P66-A68 PolarHBondContact O-N 2.9Å; A68-A70 PolarHBondContact O-N 2.94Å
69	S	57.8	Low	56.4	Low	117 Å²	117	117.8 Å²	117.8	82%	0.818	70%	0.703	S	S	*	*			trans	-58.9	71.8	165.3	-171.6	0	0	0	0	109.2	E67 S71	E67-S69 PolarHBondContact O-N 2.93Å; S69-S71 PolarHBondContact O-N 3.46Å
70	A	60	Low	57.4	Low	75 Å²	75	121 Å²	121	62%	0.62	70%	0.695	S	S	*	*			trans	-75	84	173.9	0	0	0	0	0	105.3	A68 P72	A68-A70 PolarHBondContact O-N 2.94Å; A70-P72 WeakPolarHBondContact O-CD 3.32Å
71	S	61	Low	58.7	Low	68 Å²	68	123 Å²	123	48%	0.476	69%	0.689	S	S	.	*			trans	-40.9	107.5	171.9	-172.8	0	0	0	0	107.9	S69 K73	S69-S71 PolarHBondContact O-N 3.46Å; S71-K73 PolarHBondContact O-N 3.1Å
72	P	60	Low	60.2	Low	113 Å²	113	125.4 Å²	125.4	73%	0.734	68%	0.68	S	S	*	*			trans	-61	108.1	-165.9	-24	31.9	0	0	0	108.2	A70 Q74	A70-P72 WeakPolarHBondContact O-CD 3.32Å; P72-Q74 VanDerWaalsContact C-N 3.33Å; P72-Q74 PolarHBondContact O-N 3.47Å
73	K	63.2	Low	61.9	Low	191 Å²	191	123.5 Å²	123.5	83%	0.83	67%	0.669	S	S	*	*			trans	7.4	82	171.9	-73.3	85.1	174.4	-180	0	110.5	S71 R75	S71-K73 PolarHBondContact O-N 3.1Å; K73-R75 PolarHBondContact O-N 3.49Å
74	Q	63.7	Low	63.2	Low	106 Å²	106	119.5 Å²	119.5	50%	0.495	64%	0.643	S	S	.	*			trans	-61	92.5	-178	-74	170.2	119.7	0	0	106.5	P72 R76	P72-Q74 VanDerWaalsContact C-N 3.33Å; P72-Q74 PolarHBondContact O-N 3.47Å; Q74-R76 VanDerWaalsContact CD-NH2 3.32Å; Q74-R76 PolarHBondContact O-N 3.2Å
75	R	63.5	Low	64.6	Low	235 Å²	235	119.4 Å²	119.4	89%	0.887	63%	0.627	S	S	*	*			trans	-77.3	48.2	179.5	-157.5	-175.1	-165.7	-93.2	3.9	107.9	K73 S77	K73-R75 PolarHBondContact O-N 3.49Å; R75-S77 PolarHBondContact O-N 3.28Å
76	R	64.7	Low	65.6	Low	150 Å²	150	118.5 Å²	118.5	57%	0.566	61%	0.61	S	S	*	*			trans	-54.8	111.4	160.4	-79.9	159.8	-175.9	140.7	5.5	104.4	Q74 I78 D81	Q74-R76 VanDerWaalsContact CD-NH2 3.32Å; Q74-R76 PolarHBondContact O-N 3.2Å; R76-I78 VanDerWaalsContact C-N 3.35Å; R76-I78 PolarHBondContact O-N 2.79Å; R76-D81 VanDerWaalsContact CB-OD2 3.31Å; R76-D81 WeakPolarHBondContact CB-OD2 3.47Å
77	S	63.6	Low	66.7	Low	28 Å²	28	119.6 Å²	119.6	20%	0.196	61%	0.61	C	S	.	*			trans	-58.5	103.4	-169.5	44.8	0	0	0	0	107.4	R75 I79 R80 D81	R75-S77 PolarHBondContact O-N 3.28Å; S77-I79 PolarHBondContact O-N 2.96Å; S77-R80 PolarHBondContact O-N 2.98Å; S77-R80 PolarHBondContact OG-NH1 3.31Å; S77-D81 PolarHBondContact O-N 2.96Å
78	I	67	Low	68.1	Low	89 Å²	89	111.7 Å²	111.7	46%	0.456	57%	0.574	S	S	.	*	H	α-helix	trans	-50.6	-25.5	173.7	58.7	92.8	0	0	0	111.7	R76 R80 R82	R76-I78 VanDerWaalsContact C-N 3.35Å; R76-I78 PolarHBondContact O-N 2.79Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 2.85Å; I78-R82 HydrophobicContact CB-CG 4.31Å; I78-R82 VanDerWaalsContact O-CB 3.24Å; I78-R82 WeakPolarHBondContact O-CB 3.22Å; I78-R82 VanDerWaalsContact O-CG 3.31Å; I78-R82 WeakPolarHBondContact O-CG 3.47Å; I78-R82 PolarHBondContact O-N 3.26Å
79	I	65.7	Low	69.4	Low	149 Å²	149	113.8 Å²	113.8	76%	0.764	58%	0.581	S	S	*	*	H	α-helix	trans	-70.6	-25.5	-179.6	-51.8	169.3	0	0	0	111.5	S77	S77-I79 PolarHBondContact O-N 2.96Å
80	R	71.1	Confident	70.7	Confident	198 Å²	198	113.6 Å²	113.6	75%	0.747	58%	0.576	S	S	*	*	H	α-helix	trans	-111.8	-32.4	179.8	-56.1	-171.2	-164.9	103.6	-5.2	113	S77 I78	S77-R80 PolarHBondContact O-N 2.98Å; S77-R80 PolarHBondContact OG-NH1 3.31Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 2.85Å
81	D	69.3	Low	72	Confident	110 Å²	110	111.9 Å²	111.9	59%	0.588	56%	0.556	S	S	*	*	H	α-helix	trans	-87.5	-13.2	-174.5	-69.3	-33.5	0	0	0	113.7	R76 S77	R76-D81 VanDerWaalsContact CB-OD2 3.31Å; R76-D81 WeakPolarHBondContact CB-OD2 3.47Å; S77-D81 PolarHBondContact O-N 2.96Å
82	R	74.7	Confident	73.5	Confident	173 Å²	173	112.3 Å²	112.3	65%	0.653	56%	0.557	S	S	*	*	S	Bend	trans	-84.7	-12.3	179.2	-71.6	-151.2	-70.6	-124.7	9	115.1	I78	I78-R82 HydrophobicContact CB-CG 4.31Å; I78-R82 VanDerWaalsContact O-CB 3.24Å; I78-R82 WeakPolarHBondContact O-CB 3.22Å; I78-R82 VanDerWaalsContact O-CG 3.31Å; I78-R82 WeakPolarHBondContact O-CG 3.47Å; I78-R82 PolarHBondContact O-N 3.26Å
83	G	80.1	Confident	74.8	Confident	52 Å²	52	116.6 Å²	116.6	54%	0.536	57%	0.567	S	S	.	*			trans	53	-162.8	174.8	0	0	0	0	0	114.2	M85	G83-M85 PolarHBondContact O-N 2.96Å
84	P	81.6	Confident	76	Confident	42 Å²	42	110.8 Å²	110.8	27%	0.273	56%	0.561	S	S	.	*	S	Bend	trans	-64.4	129.2	172.8	-13.2	27.8	0	0	0	109.9	Y86 L99 Y111	P84-Y86 HydrophobicContact CB-CE2 3.99Å; P84-Y86 HydrophobicContact CG-CE2 4.36Å; P84-Y86 WeakPolarHBondContact O-CD2 3.31Å; P84-Y86 WeakPolarHBondContact O-CE2 3.39Å; P84-Y86 PolarHBondContact O-N 3.37Å; P84-L99 HydrophobicContact CB-CD1 3.56Å; P84-Y111 HydrophobicContact CB-CE1 4.06Å; P84-Y111 HydrophobicContact CB-CE2 4.16Å; P84-Y111 HydrophobicContact CG-CE1 3.96Å; P84-Y111 HydrophobicContact CG-CE2 3.8Å; P84-Y111 VanDerWaalsContact CG-OH 3.24Å; P84-Y111 WeakPolarHBondContact CG-OH 3.37Å
85	M	79.8	Confident	77.1	Confident	98 Å²	98	112.5 Å²	112.5	48%	0.483	56%	0.563	S	S	.	*			trans	-85.9	96.7	-172.8	-168.7	172.9	164.5	0	0	111.1	G83 R97	G83-M85 PolarHBondContact O-N 2.96Å; M85-R97 PolarHBondContact O-NE 3.02Å; M85-R97 PolarHBondContact O-NH2 3.44Å
86	Y	72.2	Confident	78.3	Confident	114 Å²	114	104.6 Å²	104.6	45%	0.447	54%	0.541	S	S	.	.			trans	-75.7	-50.9	-178.3	-61	-79.8	0	0	0	112.2	P84 L99	P84-Y86 HydrophobicContact CB-CE2 3.99Å; P84-Y86 HydrophobicContact CG-CE2 4.36Å; P84-Y86 WeakPolarHBondContact O-CD2 3.31Å; P84-Y86 WeakPolarHBondContact O-CE2 3.39Å; P84-Y86 PolarHBondContact O-N 3.37Å; Y86-L99 HydrophobicContact CD1-CB 4.21Å; Y86-L99 HydrophobicContact CD1-CD1 4.06Å; Y86-L99 HydrophobicContact CD1-CG 4.3Å; Y86-L99 HydrophobicContact CE1-CB 4Å; Y86-L99 HydrophobicContact CE1-CD1 4.09Å; Y86-L99 HydrophobicContact CE1-CG 4.45Å
87	D	74.2	Confident	79.5	Confident	134 Å²	134	99.8 Å²	99.8	72%	0.717	52%	0.523	S	S	*	.			trans	-98.8	111.6	-175.8	-55.6	-51.5	0	0	0	110.3	P89	D87-P89 WeakPolarHBondContact O-CD 3.31Å
88	D	83.1	Confident	80.7	Confident	31 Å²	31	105 Å²	105	17%	0.166	54%	0.542	C	S	.	.			trans	-104.1	105	179.4	-158.1	-15.1	0	0	0	111	T90 L91 R97	D88-T90 VanDerWaalsContact CG-OG1 3.29Å; D88-T90 PolarHBondContact O-N 3.49Å; D88-T90 VanDerWaalsContact O-N 3.08Å; D88-T90 PolarHBondContact OD1-N 3.23Å; D88-T90 PolarHBondContact OD1-OG1 3.43Å; D88-L91 HydrophobicContact CB-CD1 4.15Å; D88-L91 HydrophobicContact CB-CG 4.16Å; D88-L91 PolarHBondContact O-N 3.24Å; D88-R97 IonicContact OD2-CZ 3.31Å; D88-R97 IonicContact OD2-NH1 2.66Å; D88-R97 PolarHBondContact OD2-NH1 3.38Å; D88-R97 IonicContact OD2-NH2 2.68Å; D88-R97 PolarHBondContact OD2-NH2 2.93Å
89	P	81.4	Confident	81.9	Confident	117 Å²	117	102.1 Å²	102.1	76%	0.76	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.5	-178.9	31.4	-36.8	0	0	0	113.1	D87 L91	D87-P89 WeakPolarHBondContact O-CD 3.31Å; P89-L91 VanDerWaalsContact C-N 3.28Å
90	T	86	Confident	83.2	Confident	113 Å²	113	101.4 Å²	101.4	69%	0.693	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.7	174.1	70.7	0	0	0	0	113.1	D88	D88-T90 VanDerWaalsContact CG-OG1 3.29Å; D88-T90 PolarHBondContact O-N 3.49Å; D88-T90 VanDerWaalsContact O-N 3.08Å; D88-T90 PolarHBondContact OD1-N 3.23Å; D88-T90 PolarHBondContact OD1-OG1 3.43Å
91	L	85.7	Confident	84.4	Confident	39 Å²	39	95 Å²	95	20%	0.204	50%	0.498	C	S	.	.	S	Bend	trans	-85	149.4	176.1	-64.8	177.2	0	0	0	110.9	D88 P89 W95 R97 L115	D88-L91 HydrophobicContact CB-CD1 4.15Å; D88-L91 HydrophobicContact CB-CG 4.16Å; D88-L91 PolarHBondContact O-N 3.24Å; P89-L91 VanDerWaalsContact C-N 3.28Å; L91-W95 HydrophobicContact CB-CB 3.94Å; L91-R97 HydrophobicContact CD1-CB 4.07Å; L91-L115 HydrophobicContact CD1-CD2 3.54Å; L91-L115 HydrophobicContact CD2-CD2 3.55Å; L91-L115 HydrophobicContact CG-CD2 4.21Å
92	P	92.7	Very high	85.6	Confident	77 Å²	77	94.8 Å²	94.8	50%	0.5	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-54.9	155	173.7	-24.5	34.1	0	0	0	112.2	G94 W95	P92-G94 PolarHBondContact O-N 3.43Å; P92-W95 HydrophobicContact CB-CG 4.12Å; P92-W95 HydrophobicContact CG-CD2 4.32Å; P92-W95 HydrophobicContact CG-CG 4.26Å; P92-W95 VanDerWaalsContact O-CB 3.3Å; P92-W95 WeakPolarHBondContact O-CB 3.48Å; P92-W95 PolarHBondContact O-N 3.45Å
93	E	87.6	Confident	86.7	Confident	203 Å²	203	94.3 Å²	94.3	95%	0.949	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	131.9	176	-170.7	175	178.2	0	0	110.8	W95	E93-W95 VanDerWaalsContact C-N 3.28Å; E93-W95 PolarHBondContact O-N 3.22Å
94	G	88.3	Confident	87.5	Confident	68 Å²	68	96.4 Å²	96.4	70%	0.701	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-13.7	-173.8	0	0	0	0	0	114.9	P92	P92-G94 PolarHBondContact O-N 3.43Å
95	W	87.4	Confident	88.2	Confident	142 Å²	142	97.4 Å²	97.4	54%	0.538	52%	0.515	S	S	.	.			trans	-88.4	132.8	175.6	-71.6	45.4	0	0	0	110.3	L91 P92 E93 I116	L91-W95 HydrophobicContact CB-CB 3.94Å; P92-W95 HydrophobicContact CB-CG 4.12Å; P92-W95 HydrophobicContact CG-CD2 4.32Å; P92-W95 HydrophobicContact CG-CG 4.26Å; P92-W95 VanDerWaalsContact O-CB 3.3Å; P92-W95 WeakPolarHBondContact O-CB 3.48Å; P92-W95 PolarHBondContact O-N 3.45Å; E93-W95 VanDerWaalsContact C-N 3.28Å; E93-W95 PolarHBondContact O-N 3.22Å; W95-I116 CarbonylContact C-O 3.56Å; W95-I116 VanDerWaalsContact CA-O 3.22Å; W95-I116 WeakPolarHBondContact CA-O 3.41Å
96	T	87.3	Confident	89.1	Confident	69 Å²	69	105.7 Å²	105.7	42%	0.423	54%	0.541	S	S	.	.			trans	-131.4	150.2	-177.1	61.4	0	0	0	0	111.9	L115 I116	T96-L115 WeakPolarHBondContact O-CA 3.17Å; T96-I116 PolarHBondContact N-O 3.35Å; T96-I116 PolarHBondContact O-N 3.3Å
97	R	91.2	Very high	90.2	Very high	50 Å²	50	102.4 Å²	102.4	19%	0.189	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.9	176.4	179.9	165.5	66.2	-151.5	-6.2	110.5	M85 D88 L91 L99 V113 Y114	M85-R97 PolarHBondContact O-NE 3.02Å; M85-R97 PolarHBondContact O-NH2 3.44Å; D88-R97 IonicContact OD2-CZ 3.31Å; D88-R97 IonicContact OD2-NH1 2.66Å; D88-R97 PolarHBondContact OD2-NH1 3.38Å; D88-R97 IonicContact OD2-NH2 2.68Å; D88-R97 PolarHBondContact OD2-NH2 2.93Å; L91-R97 HydrophobicContact CD1-CB 4.07Å; R97-L99 HydrophobicContact CG-CD2 4.29Å; R97-V113 HydrophobicContact CG-CG1 3.64Å; R97-Y114 CarbonylContact C-O 3.51Å; R97-Y114 WeakPolarHBondContact CA-O 3.31Å
98	K	89.4	Confident	91.2	Very high	136 Å²	136	98.4 Å²	98.4	59%	0.591	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.1	173	-169.6	171.2	-176.1	172.1	0	110.4	Y114 I116	K98-Y114 PolarHBondContact N-O 2.64Å; K98-Y114 PolarHBondContact O-N 2.76Å; K98-I116 HydrophobicContact CB-CD1 3.83Å; K98-I116 HydrophobicContact CD-CD1 3.96Å
99	L	91.6	Very high	91.7	Very high	30 Å²	30	98.7 Å²	98.7	16%	0.157	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.5	177.3	-63.7	178.1	0	0	0	110.6	P84 Y86 R97 Y111 D112 V113	P84-L99 HydrophobicContact CB-CD1 3.56Å; Y86-L99 HydrophobicContact CD1-CB 4.21Å; Y86-L99 HydrophobicContact CD1-CD1 4.06Å; Y86-L99 HydrophobicContact CD1-CG 4.3Å; Y86-L99 HydrophobicContact CE1-CB 4Å; Y86-L99 HydrophobicContact CE1-CD1 4.09Å; Y86-L99 HydrophobicContact CE1-CG 4.45Å; R97-L99 HydrophobicContact CG-CD2 4.29Å; L99-Y111 HydrophobicContact CB-CD1 3.86Å; L99-Y111 HydrophobicContact CB-CG 4.48Å; L99-D112 CarbonylContact C-O 3.58Å; L99-D112 WeakPolarHBondContact CA-O 3.31Å; L99-V113 HydrophobicContact CD2-CB 4.31Å; L99-V113 HydrophobicContact CD2-CG1 4.46Å; L99-V113 HydrophobicContact CD2-CG2 3.61Å
100	K	92.7	Very high	92.3	Very high	134 Å²	134	99.9 Å²	99.9	58%	0.583	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.3	173.2	-171.7	172.5	176.9	172.4	0	110.1	Y111 D112 Y114	K100-Y111 CarbonylContact O-C 3.54Å; K100-Y111 WeakPolarHBondContact O-CA 3.47Å; K100-D112 HydrophobicContact CB-CB 4.5Å; K100-D112 PolarHBondContact N-O 3.45Å; K100-D112 PolarHBondContact O-N 3.03Å; K100-Y114 HydrophobicContact CB-CD2 4.42Å; K100-Y114 HydrophobicContact CB-CE2 3.81Å; K100-Y114 HydrophobicContact CD-CE2 4.36Å
101	Q	95.5	Very high	92.7	Very high	64 Å²	64	98.6 Å²	98.6	30%	0.299	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.8	177.7	-160.4	-176	30.5	0	0	111	K103 G109 K110 Y111	Q101-K103 WeakPolarHBondContact O-CE 3.24Å; Q101-G109 PolarHBondContact NE2-O 2.64Å; Q101-K110 CarbonylContact C-O 3.57Å; Q101-K110 WeakPolarHBondContact CA-O 3.1Å; Q101-Y111 HydrophobicContact CB-CD1 3.73Å; Q101-Y111 HydrophobicContact CB-CE1 3.54Å; Q101-Y111 HydrophobicContact CB-CG 4.44Å; Q101-Y111 HydrophobicContact CG-CD1 4.13Å; Q101-Y111 HydrophobicContact CG-CD2 4.49Å; Q101-Y111 HydrophobicContact CG-CE1 3.84Å; Q101-Y111 HydrophobicContact CG-CE2 4.17Å; Q101-Y111 HydrophobicContact CG-CG 4.46Å; Q101-Y111 PolarHBondContact NE2-OH 3.36Å
102	R	96	Very high	93.1	Very high	105 Å²	105	98.7 Å²	98.7	40%	0.396	51%	0.508	S	S	.	.			trans	-68.6	131.5	170.9	-62.4	-175.4	-174.4	170.6	3.4	109.8	S107 A108 G109 K110 D112	R102-S107 WeakPolarHBondContact CD-OG 2.94Å; R102-S107 PolarHBondContact NH1-OG 3.49Å; R102-A108 WeakPolarHBondContact O-CA 3.26Å; R102-G109 PolarHBondContact O-N 3.46Å; R102-K110 PolarHBondContact N-O 2.8Å; R102-D112 VanDerWaalsContact CG-OD2 3.25Å; R102-D112 WeakPolarHBondContact CG-OD2 3.24Å; R102-D112 IonicContact CZ-OD1 3.85Å; R102-D112 VanDerWaalsContact CZ-OD1 3.31Å; R102-D112 IonicContact CZ-OD2 2.68Å; R102-D112 IonicContact NE-OD1 2.94Å; R102-D112 PolarHBondContact NE-OD1 2.84Å; R102-D112 VanDerWaalsContact NE-OD1 3.14Å; R102-D112 IonicContact NE-OD2 3.26Å; R102-D112 PolarHBondContact NE-OD2 2.91Å; R102-D112 IonicContact NH2-OD1 3.88Å; R102-D112 PolarHBondContact NH2-OD1 2.86Å; R102-D112 IonicContact NH2-OD2 3.22Å
103	K	97.1	Very high	93.1	Very high	163 Å²	163	99.2 Å²	99.2	71%	0.709	51%	0.509	S	S	*	.			trans	-99	-18.2	-171.9	-60.6	-66.9	163.4	-178.4	0	114.4	Q101	Q101-K103 WeakPolarHBondContact O-CE 3.24Å
104	S	96.5	Very high	93.2	Very high	96 Å²	96	95 Å²	95	67%	0.671	49%	0.486	S	S	*	.	S	Bend	trans	-143.1	169.2	-174.2	66.2	0	0	0	0	113.2
105	G	97.4	Very high	93.3	Very high	63 Å²	63	96.8 Å²	96.8	65%	0.649	48%	0.479	S	S	*	.	S	Bend	trans	75.4	-172.6	179.8	0	0	0	0	0	114	S107 A108	G105-S107 PolarHBondContact O-N 2.78Å; G105-A108 VanDerWaalsContact O-CB 3.31Å; G105-A108 WeakPolarHBondContact O-CB 3.14Å; G105-A108 PolarHBondContact O-N 3.2Å; G105-A108 VanDerWaalsContact O-N 3.1Å
106	R	97.1	Very high	93.3	Very high	271 Å²	271	96 Å²	96	100%	1.023	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.3	-177.2	-74	173.7	157.6	130.2	-6.9	114
107	S	95.3	Very high	93.6	Very high	45 Å²	45	97.4 Å²	97.4	32%	0.315	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	13.4	178.5	63.7	0	0	0	0	113.5	R102 G105 G109 K110	R102-S107 WeakPolarHBondContact CD-OG 2.94Å; R102-S107 PolarHBondContact NH1-OG 3.49Å; G105-S107 PolarHBondContact O-N 2.78Å; S107-G109 PolarHBondContact O-N 2.9Å; S107-K110 WeakPolarHBondContact O-CB 3.02Å; S107-K110 PolarHBondContact O-N 2.83Å
108	A	96.1	Very high	93.8	Very high	51 Å²	51	99.8 Å²	99.8	42%	0.421	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	140.8	174	0	0	0	0	0	110.3	R102 G105 K110	R102-A108 WeakPolarHBondContact O-CA 3.26Å; G105-A108 VanDerWaalsContact O-CB 3.31Å; G105-A108 WeakPolarHBondContact O-CB 3.14Å; G105-A108 PolarHBondContact O-N 3.2Å; G105-A108 VanDerWaalsContact O-N 3.1Å; A108-K110 VanDerWaalsContact C-N 3.34Å
109	G	93.6	Very high	94	Very high	37 Å²	37	97.8 Å²	97.8	38%	0.381	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-17.9	-178.7	0	0	0	0	0	115.1	Q101 R102 S107	Q101-G109 PolarHBondContact NE2-O 2.64Å; R102-G109 PolarHBondContact O-N 3.46Å; S107-G109 PolarHBondContact O-N 2.9Å
110	K	94.7	Very high	94.2	Very high	141 Å²	141	101.8 Å²	101.8	61%	0.613	52%	0.517	S	S	*	.			trans	-76.1	153.8	172.5	-60.4	-69.6	-70.8	-167	0	110.8	Q101 R102 S107 A108	Q101-K110 CarbonylContact C-O 3.57Å; Q101-K110 WeakPolarHBondContact CA-O 3.1Å; R102-K110 PolarHBondContact N-O 2.8Å; S107-K110 WeakPolarHBondContact O-CB 3.02Å; S107-K110 PolarHBondContact O-N 2.83Å; A108-K110 VanDerWaalsContact C-N 3.34Å
111	Y	93.3	Very high	94.2	Very high	86 Å²	86	99.8 Å²	99.8	34%	0.337	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.6	177.6	-64.3	-95.6	0	0	0	110.3	P84 L99 K100 Q101	P84-Y111 HydrophobicContact CB-CE1 4.06Å; P84-Y111 HydrophobicContact CB-CE2 4.16Å; P84-Y111 HydrophobicContact CG-CE1 3.96Å; P84-Y111 HydrophobicContact CG-CE2 3.8Å; P84-Y111 VanDerWaalsContact CG-OH 3.24Å; P84-Y111 WeakPolarHBondContact CG-OH 3.37Å; L99-Y111 HydrophobicContact CB-CD1 3.86Å; L99-Y111 HydrophobicContact CB-CG 4.48Å; K100-Y111 CarbonylContact O-C 3.54Å; K100-Y111 WeakPolarHBondContact O-CA 3.47Å; Q101-Y111 HydrophobicContact CB-CD1 3.73Å; Q101-Y111 HydrophobicContact CB-CE1 3.54Å; Q101-Y111 HydrophobicContact CB-CG 4.44Å; Q101-Y111 HydrophobicContact CG-CD1 4.13Å; Q101-Y111 HydrophobicContact CG-CD2 4.49Å; Q101-Y111 HydrophobicContact CG-CE1 3.84Å; Q101-Y111 HydrophobicContact CG-CE2 4.17Å; Q101-Y111 HydrophobicContact CG-CG 4.46Å; Q101-Y111 PolarHBondContact NE2-OH 3.36Å
112	D	93.4	Very high	94.2	Very high	42 Å²	42	102.2 Å²	102.2	23%	0.225	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.1	161	-64.4	-59.3	0	0	0	108.6	L99 K100 R102 Y114	L99-D112 CarbonylContact C-O 3.58Å; L99-D112 WeakPolarHBondContact CA-O 3.31Å; K100-D112 HydrophobicContact CB-CB 4.5Å; K100-D112 PolarHBondContact N-O 3.45Å; K100-D112 PolarHBondContact O-N 3.03Å; R102-D112 VanDerWaalsContact CG-OD2 3.25Å; R102-D112 WeakPolarHBondContact CG-OD2 3.24Å; R102-D112 IonicContact CZ-OD1 3.85Å; R102-D112 VanDerWaalsContact CZ-OD1 3.31Å; R102-D112 IonicContact CZ-OD2 2.68Å; R102-D112 IonicContact NE-OD1 2.94Å; R102-D112 PolarHBondContact NE-OD1 2.84Å; R102-D112 VanDerWaalsContact NE-OD1 3.14Å; R102-D112 IonicContact NE-OD2 3.26Å; R102-D112 PolarHBondContact NE-OD2 2.91Å; R102-D112 IonicContact NH2-OD1 3.88Å; R102-D112 PolarHBondContact NH2-OD1 2.86Å; R102-D112 IonicContact NH2-OD2 3.22Å; D112-Y114 HydrophobicContact CB-CE2 3.91Å
113	V	92.8	Very high	94	Very high	87 Å²	87	102 Å²	102	53%	0.527	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.4	-176.7	179.1	0	0	0	0	108.8	R97 L99	R97-V113 HydrophobicContact CG-CG1 3.64Å; L99-V113 HydrophobicContact CD2-CB 4.31Å; L99-V113 HydrophobicContact CD2-CG1 4.46Å; L99-V113 HydrophobicContact CD2-CG2 3.61Å
114	Y	91.2	Very high	93.8	Very high	115 Å²	115	97.3 Å²	97.3	45%	0.451	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.1	172.6	-59	-85.7	0	0	0	109.4	R97 K98 K100 D112	R97-Y114 CarbonylContact C-O 3.51Å; R97-Y114 WeakPolarHBondContact CA-O 3.31Å; K98-Y114 PolarHBondContact N-O 2.64Å; K98-Y114 PolarHBondContact O-N 2.76Å; K100-Y114 HydrophobicContact CB-CD2 4.42Å; K100-Y114 HydrophobicContact CB-CE2 3.81Å; K100-Y114 HydrophobicContact CD-CE2 4.36Å; D112-Y114 HydrophobicContact CB-CE2 3.91Å
115	L	90.6	Very high	93.6	Very high	105 Å²	105	97.4 Å²	97.4	55%	0.55	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.8	171.8	-66.7	154.5	0	0	0	106.5	L91 T96	L91-L115 HydrophobicContact CD1-CD2 3.54Å; L91-L115 HydrophobicContact CD2-CD2 3.55Å; L91-L115 HydrophobicContact CG-CD2 4.21Å; T96-L115 WeakPolarHBondContact O-CA 3.17Å
116	I	87.6	Confident	93.2	Very high	126 Å²	126	100.5 Å²	100.5	65%	0.646	50%	0.499	S	S	*	.			trans	-119.2	0	-179	-58	167.2	0	0	0	107.2	W95 T96 K98	W95-I116 CarbonylContact C-O 3.56Å; W95-I116 VanDerWaalsContact CA-O 3.22Å; W95-I116 WeakPolarHBondContact CA-O 3.41Å; T96-I116 PolarHBondContact N-O 3.35Å; T96-I116 PolarHBondContact O-N 3.3Å; K98-I116 HydrophobicContact CB-CD1 3.83Å; K98-I116 HydrophobicContact CD-CD1 3.96Å

Retrieved 116 of 116 residues in 43.6 ms (Link to these results)

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