G4VBL2_SCHMA Loading...

Smp_201440

AlphaFold DB , UniProt , Accession G4VBL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 109 aa.

						>G4VBL2_SCHMA|G4VBL2
MEGGQPVAEVRSYSPNKCGEVANGSMHSSSTSDSDYEYRKRNSYCLSCQRRPKASLKFILTIWYSPETSSAIAEAMSSTYTEVQLQEIVSSSTKDILQLAEKHFADLRI
					

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	41.7	Very low	51.4	Low	240 Å²	240	143.4 Å²	143.4	100%	1.182	82%	0.82	S	S	*	*				0	75.9	0	-64.7	-178.9	176.7	0	0	105.6
2	E	48.6	Very low	51.6	Low	205 Å²	205	140.4 Å²	140.4	96%	0.958	82%	0.815	S	S	*	*				68.8	123.9	66.5	-149.9	-173	145.1	0	0	112.5
3	G	46	Very low	51.5	Low	76 Å²	76	145.8 Å²	145.8	78%	0.784	82%	0.815	S	S	*	*			trans	129.8	83.3	-176.4	0	0	0	0	0	109.4
4	G	43.2	Very low	51.5	Low	78 Å²	78	143.1 Å²	143.1	80%	0.804	81%	0.811	S	S	*	*			cis	96.2	90.3	38	0	0	0	0	0	108.7
5	Q	55.5	Low	51.4	Low	175 Å²	175	141.6 Å²	141.6	82%	0.818	81%	0.809	S	S	*	*			trans	-64.8	172	175.4	-70.9	-177.4	-88.3	0	0	111.4
6	P	57.5	Low	51.3	Low	126 Å²	126	142.1 Å²	142.1	82%	0.818	81%	0.808	S	S	*	*				-134.2	139.8	113.2	28.4	-13.1	0	0	0	114.3
7	V	56.2	Low	51.2	Low	113 Å²	113	146.1 Å²	146.1	69%	0.685	82%	0.815	S	S	*	*			trans	-54.7	126	166.6	159.2	0	0	0	0	110.4	E9	V7-E9 PolarHBondContact O-N 3.46Å
8	A	55.7	Low	51	Low	90 Å²	90	144.5 Å²	144.5	74%	0.744	81%	0.814	S	S	*	*			trans	-80.8	107.1	161.6	0	0	0	0	0	108.3	V10	A8-V10 PolarHBondContact O-N 3.25Å; A8-V10 VanDerWaalsContact O-N 3.11Å
9	E	54.2	Low	50.6	Low	154 Å²	154	140.2 Å²	140.2	72%	0.72	81%	0.805	S	S	*	*			trans	-66.5	101.6	176.8	-158.3	-178.1	119.3	0	0	109.5	V7 R11	V7-E9 PolarHBondContact O-N 3.46Å; E9-R11 PolarHBondContact O-N 3.17Å
10	V	54.7	Low	49.9	Very low	131 Å²	131	143 Å²	143	79%	0.794	81%	0.81	S	S	*	*			trans	-72.5	95.7	172.3	-179.5	0	0	0	0	107.7	A8 S12	A8-V10 PolarHBondContact O-N 3.25Å; A8-V10 VanDerWaalsContact O-N 3.11Å; V10-S12 PolarHBondContact O-N 3.41Å
11	R	51.9	Low	49.8	Very low	189 Å²	189	142.8 Å²	142.8	71%	0.713	81%	0.812	S	S	*	*			trans	-68.2	100.9	169.2	-82.9	-175.3	170.7	-168.8	-2.9	109.8	E9 Y13	E9-R11 PolarHBondContact O-N 3.17Å; R11-Y13 PolarHBondContact O-N 3.18Å
12	S	53.5	Low	49.8	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	79%	0.792	S	S	*	*			trans	-60	110	166	-43.5	0	0	0	0	109.7	V10 S14	V10-S12 PolarHBondContact O-N 3.41Å; S12-S14 PolarHBondContact O-N 3.26Å
13	Y	50.3	Low	49.7	Very low	210 Å²	210	134 Å²	134	82%	0.824	79%	0.789	S	S	*	*			trans	-79.4	111.4	168.5	-86	-95.1	0	0	0	109.1	R11 P15	R11-Y13 PolarHBondContact O-N 3.18Å; Y13-P15 WeakPolarHBondContact O-CD 3.01Å
14	S	52.4	Low	49.3	Very low	108 Å²	108	134 Å²	134	76%	0.755	79%	0.789	S	S	*	*			trans	-78.1	117.2	165	-68.9	0	0	0	0	109.6	S12 N16	S12-S14 PolarHBondContact O-N 3.26Å; S14-N16 VanDerWaalsContact C-N 3.31Å; S14-N16 PolarHBondContact O-N 3.02Å; S14-N16 VanDerWaalsContact O-N 3.12Å
15	P	49.3	Very low	49.1	Very low	121 Å²	121	135.6 Å²	135.6	79%	0.786	79%	0.788	S	S	*	*			trans	-89.4	69.1	177.6	35.8	-29.6	0	0	0	108.7	Y13	Y13-P15 WeakPolarHBondContact O-CD 3.01Å
16	N	50.2	Low	48.6	Very low	149 Å²	149	135.4 Å²	135.4	80%	0.797	79%	0.789	S	S	*	*			trans	-161	72	172.7	-89	-37.6	0	0	0	111	S14	S14-N16 VanDerWaalsContact C-N 3.31Å; S14-N16 PolarHBondContact O-N 3.02Å; S14-N16 VanDerWaalsContact O-N 3.12Å
17	K	49.2	Very low	47.9	Very low	211 Å²	211	138.3 Å²	138.3	92%	0.917	79%	0.791	S	S	*	*			trans	-147.6	73.7	148.6	-77.6	-145.4	175.8	-166.3	0	108	G19	K17-G19 PolarHBondContact O-N 3.42Å
18	C	47.4	Very low	47	Very low	117 Å²	117	138.6 Å²	138.6	79%	0.791	80%	0.798	S	S	*	*			trans	-66.4	125.7	161	-162.3	0	0	0	0	106.7	E20	C18-E20 PolarHBondContact O-N 3.26Å
19	G	43.1	Very low	46.5	Very low	63 Å²	63	140.1 Å²	140.1	65%	0.649	80%	0.804	S	S	*	*			trans	-52.9	120.9	178.4	0	0	0	0	0	110.6	K17 V21	K17-G19 PolarHBondContact O-N 3.42Å; G19-V21 PolarHBondContact O-N 3.32Å
20	E	37	Very low	46.1	Very low	196 Å²	196	138.4 Å²	138.4	92%	0.916	81%	0.808	S	S	*	*			trans	-57.1	107.6	164.7	-170.9	173	101.3	0	0	108.2	C18	C18-E20 PolarHBondContact O-N 3.26Å
21	V	48.5	Very low	45.9	Very low	138 Å²	138	138.2 Å²	138.2	84%	0.836	81%	0.808	S	S	*	*			trans	-115	108.9	161.3	-75.5	0	0	0	0	107.3	G19 N23	G19-V21 PolarHBondContact O-N 3.32Å; V21-N23 PolarHBondContact O-N 3.47Å
22	A	40.8	Very low	45.5	Very low	94 Å²	94	135.3 Å²	135.3	78%	0.777	82%	0.816	S	S	*	*			trans	-56.4	128.6	178.4	0	0	0	0	0	111.4
23	N	46.2	Very low	45.3	Very low	167 Å²	167	134 Å²	134	89%	0.893	80%	0.801	S	S	*	*			trans	-149.7	122.4	141.8	-128.7	-22.7	0	0	0	109	V21	V21-N23 PolarHBondContact O-N 3.47Å
24	G	37.8	Very low	45.5	Very low	75 Å²	75	129.7 Å²	129.7	77%	0.773	80%	0.801	S	S	*	*			trans	-69.1	146.6	-175.6	0	0	0	0	0	112.3
25	S	40.4	Very low	45.6	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	80%	0.795	S	S	*	*				177.2	128.9	123.5	-172.5	0	0	0	0	107.8
26	M	44.2	Very low	45.6	Very low	171 Å²	171	129.8 Å²	129.8	84%	0.842	78%	0.779	S	S	*	*			trans	-49.5	140.7	169.7	-62.8	170.7	147.1	0	0	110.8
27	H	43.2	Very low	45.5	Very low	188 Å²	188	129.1 Å²	129.1	87%	0.87	77%	0.771	S	S	*	*			trans	-177	106.7	134.8	-91.8	-68.9	0	0	0	108.7
28	S	37.7	Very low	45.5	Very low	119 Å²	119	127.1 Å²	127.1	83%	0.832	76%	0.759	S	S	*	*			trans	-74.4	128.9	165.9	-50	0	0	0	0	109.1
29	S	45.5	Very low	45.9	Very low	122 Å²	122	130 Å²	130	85%	0.853	75%	0.753	S	S	*	*			trans	-167.7	120.4	146.5	-81.2	0	0	0	0	110.8
30	S	45.5	Very low	46.4	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	75%	0.749	S	S	*	*			trans	-39	128.3	166.7	177.6	0	0	0	0	115.3
31	T	49	Very low	47	Very low	128 Å²	128	132.6 Å²	132.6	79%	0.785	74%	0.739	S	S	*	*			trans	-155.7	127.3	141.3	40.9	0	0	0	0	109.9	D33	T31-D33 PolarHBondContact O-N 3.5Å
32	S	43.9	Very low	46.9	Very low	127 Å²	127	131 Å²	131	89%	0.888	73%	0.725	S	S	*	*			trans	-42.5	118.1	167.9	-76.9	0	0	0	0	112.1
33	D	50.3	Low	47.4	Very low	82 Å²	82	131 Å²	131	44%	0.439	72%	0.72	S	S	.	*			trans	-147.9	72.9	166.4	-153.1	-19.6	0	0	0	109.5	T31 D35 Y36	T31-D33 PolarHBondContact O-N 3.5Å; D33-D35 PolarHBondContact O-N 3.45Å; D33-D35 PolarHBondContact OD1-N 3Å; D33-Y36 PolarHBondContact OD1-N 3.33Å; D33-Y36 WeakPolarHBondContact OD2-CD2 3.48Å
34	S	54.7	Low	47.6	Very low	118 Å²	118	128.8 Å²	128.8	83%	0.825	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-2.1	172.2	65.2	0	0	0	0	112.6
35	D	54.9	Low	48.2	Very low	117 Å²	117	129.5 Å²	129.5	63%	0.626	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-21	-179.8	-125.5	-71.4	0	0	0	112.5	D33 E37	D33-D35 PolarHBondContact O-N 3.45Å; D33-D35 PolarHBondContact OD1-N 3Å; D35-E37 PolarHBondContact O-N 3.49Å
36	Y	48	Very low	48.8	Very low	115 Å²	115	126.7 Å²	126.7	45%	0.451	67%	0.668	S	S	.	*	H	α-helix	trans	-71.3	-27.6	175.1	-123.3	-99.4	0	0	0	114.2	D33 Y38 R39 K40	D33-Y36 PolarHBondContact OD1-N 3.33Å; D33-Y36 WeakPolarHBondContact OD2-CD2 3.48Å; Y36-Y38 PolarHBondContact O-N 2.97Å; Y36-R39 PolarHBondContact O-N 3.12Å; Y36-K40 PolarHBondContact O-N 3.37Å
37	E	49.2	Very low	49.3	Very low	134 Å²	134	123 Å²	123	63%	0.626	66%	0.659	S	S	*	*	H	α-helix	trans	-68.5	-23.6	-179.1	-71.1	-68.9	105.8	0	0	112.2	D35	D35-E37 PolarHBondContact O-N 3.49Å
38	Y	49.3	Very low	49.5	Very low	170 Å²	170	117.9 Å²	117.9	67%	0.667	64%	0.644	S	S	*	*	H	α-helix	trans	-77.1	-31.8	176.2	-141	-91.6	0	0	0	112.5	Y36 R41	Y36-Y38 PolarHBondContact O-N 2.97Å; Y38-R41 WeakPolarHBondContact O-CB 3.46Å; Y38-R41 PolarHBondContact O-N 2.7Å
39	R	55.1	Low	50.5	Low	177 Å²	177	122.1 Å²	122.1	67%	0.668	65%	0.65	S	S	*	*	H	α-helix	trans	-75.9	-19.9	177.2	-87.6	-169.4	-78.6	163.2	-3.9	114	Y36 R41	Y36-R39 PolarHBondContact O-N 3.12Å; R39-R41 VanDerWaalsContact C-N 3.32Å
40	K	52.6	Low	51.5	Low	131 Å²	131	122.5 Å²	122.5	57%	0.57	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-79.8	-10.1	173.9	-86.2	-178.1	178.5	173.2	0	114.5	Y36 N42 S43	Y36-K40 PolarHBondContact O-N 3.37Å; K40-N42 PolarHBondContact O-N 3.32Å; K40-S43 PolarHBondContact O-N 2.75Å; K40-S43 PolarHBondContact O-OG 3.23Å
41	R	50.5	Low	53.5	Low	182 Å²	182	126 Å²	126	69%	0.687	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-69.6	2.1	-176	-141.2	177.1	-164.6	163.4	4.5	114.9	Y38 R39	Y38-R41 WeakPolarHBondContact O-CB 3.46Å; Y38-R41 PolarHBondContact O-N 2.7Å; R39-R41 VanDerWaalsContact C-N 3.32Å
42	N	47.3	Very low	55.3	Low	105 Å²	105	120.1 Å²	120.1	56%	0.561	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-92	7.4	175.7	-135.1	66.4	0	0	0	114.6	K40 Y44 T93	K40-N42 PolarHBondContact O-N 3.32Å; N42-Y44 PolarHBondContact O-N 2.91Å; N42-T93 PolarHBondContact ND2-OG1 3.34Å; N42-T93 VanDerWaalsContact ND2-OG1 3.07Å
43	S	50.1	Low	57.7	Low	95 Å²	95	117.9 Å²	117.9	66%	0.664	57%	0.566	S	S	*	*			trans	-91.2	79.7	164.4	39.1	0	0	0	0	108.2	K40 C45	K40-S43 PolarHBondContact O-N 2.75Å; K40-S43 PolarHBondContact O-OG 3.23Å; S43-C45 PolarHBondContact O-N 2.73Å
44	Y	51.5	Low	59.6	Low	119 Å²	119	116.1 Å²	116.1	47%	0.467	56%	0.563	S	S	.	*			trans	-55.5	98.9	153.6	-78.7	-84.4	0	0	0	105.1	N42 L46 I62	N42-Y44 PolarHBondContact O-N 2.91Å; Y44-L46 PolarHBondContact O-N 3.48Å; Y44-I62 HydrophobicContact CE1-CD1 4.38Å; Y44-I62 HydrophobicContact CE2-CD1 4.03Å; Y44-I62 WeakPolarHBondContact OH-CD1 3.43Å
45	C	49.4	Very low	61.3	Low	91 Å²	91	110.8 Å²	110.8	62%	0.615	53%	0.526	S	S	*	.			trans	-68.8	79.8	174.2	-145.9	0	0	0	0	105.2	S43 S47	S43-C45 PolarHBondContact O-N 2.73Å; C45-S47 PolarHBondContact O-N 3.07Å; C45-S47 PolarHBondContact O-OG 3.09Å; C45-S47 PolarHBondContact SG-OG 3.2Å; C45-S47 VanDerWaalsContact SG-OG 3.37Å
46	L	53.1	Low	63.1	Low	53 Å²	53	105.2 Å²	105.2	28%	0.277	50%	0.496	S	S	.	.			trans	-71.9	37.1	165.1	-66.7	164.8	0	0	0	109	Y44 C48 I59	Y44-L46 PolarHBondContact O-N 3.48Å; L46-C48 PolarHBondContact O-N 3.04Å; L46-C48 VanDerWaalsContact O-O 3.07Å; L46-I59 HydrophobicContact CD1-CD1 3.84Å; L46-I59 HydrophobicContact CD1-CG1 4.27Å
47	S	54.2	Low	65.3	Low	93 Å²	93	103.6 Å²	103.6	65%	0.65	49%	0.491	S	S	*	.			trans	-69.2	-6.4	167.7	54.9	0	0	0	0	111.5	C45 Q49	C45-S47 PolarHBondContact O-N 3.07Å; C45-S47 PolarHBondContact O-OG 3.09Å; C45-S47 PolarHBondContact SG-OG 3.2Å; C45-S47 VanDerWaalsContact SG-OG 3.37Å; S47-Q49 PolarHBondContact O-N 3.04Å
48	C	48.1	Very low	67.3	Low	81 Å²	81	101.5 Å²	101.5	55%	0.547	48%	0.48	S	S	.	.	S	Bend	trans	-64.8	119.7	157.7	-68.8	0	0	0	0	108.4	L46 R50	L46-C48 PolarHBondContact O-N 3.04Å; L46-C48 VanDerWaalsContact O-O 3.07Å; C48-R50 HydrophobicContact CB-CG 4.21Å; C48-R50 PolarHBondContact O-N 3.43Å
49	Q	58.3	Low	69.3	Low	208 Å²	208	93.8 Å²	93.8	97%	0.972	45%	0.451	S	S	*	.			trans	-56.2	59.2	169.8	-70.5	177.1	-23.5	0	0	112.6	S47	S47-Q49 PolarHBondContact O-N 3.04Å
50	R	66.7	Low	71.1	Confident	130 Å²	130	85.4 Å²	85.4	49%	0.491	42%	0.419	S	S	.	.			trans	-91.1	133.1	172.4	-72	-160.5	178.2	174.1	3.1	107	C48 A54 S55	C48-R50 HydrophobicContact CB-CG 4.21Å; C48-R50 PolarHBondContact O-N 3.43Å; R50-A54 HydrophobicContact CB-CB 4.29Å; R50-S55 WeakPolarHBondContact CB-OG 3.27Å
51	R	86.7	Confident	73.1	Confident	191 Å²	191	81.9 Å²	81.9	72%	0.721	41%	0.409	S	S	*	.			trans	-52.5	142.8	171.4	-65.8	-164.5	-175.7	167.8	1.7	108.9	K53 A54 S55	R51-K53 PolarHBondContact O-N 2.92Å; R51-A54 WeakPolarHBondContact O-CA 3.47Å; R51-A54 WeakPolarHBondContact O-CB 3.45Å; R51-A54 PolarHBondContact O-N 3.31Å; R51-S55 PolarHBondContact O-N 3.29Å; R51-S55 VanDerWaalsContact O-N 3.14Å
52	P	88.6	Confident	75	Confident	3 Å²	3	77 Å²	77	2%	0.019	40%	0.395	C	S	.	.	H	α-helix	trans	-47.6	-41.3	-175.9	-33.9	38.1	0	0	0	114.3	A54 S55 L56 E82 L85 Q86	P52-A54 PolarHBondContact O-N 3.15Å; P52-S55 WeakPolarHBondContact O-CB 3.19Å; P52-S55 PolarHBondContact O-N 2.97Å; P52-L56 WeakPolarHBondContact O-CB 3.42Å; P52-L56 PolarHBondContact O-N 3.13Å; P52-E82 HydrophobicContact CG-CG 3.81Å; P52-L85 HydrophobicContact CB-CB 3.47Å; P52-L85 VanDerWaalsContact CB-CB 3.47Å; P52-L85 HydrophobicContact CB-CD1 4.47Å; P52-L85 HydrophobicContact CG-CB 4.47Å; P52-Q86 HydrophobicContact CG-CB 3.99Å; P52-Q86 VanDerWaalsContact CG-OE1 3.27Å
53	K	92.2	Very high	77.2	Confident	81 Å²	81	77.7 Å²	77.7	35%	0.352	39%	0.39	S	S	.	.	H	α-helix	trans	-57.8	-42.7	175	-177.5	-179.9	179.3	171.5	0	113.6	R51 K57 A73 E74 S77	R51-K53 PolarHBondContact O-N 2.92Å; K53-K57 WeakPolarHBondContact O-CB 3.32Å; K53-K57 PolarHBondContact O-N 3.3Å; K53-A73 HydrophobicContact CG-CB 4.45Å; K53-E74 VanDerWaalsContact NZ-CG 3.29Å; K53-S77 PolarHBondContact NZ-OG 2.89Å
54	A	91.2	Very high	79.2	Confident	45 Å²	45	75.6 Å²	75.6	37%	0.372	37%	0.368	S	S	.	.	H	α-helix	trans	-71.9	-36.2	179.8	0	0	0	0	0	111.6	R50 R51 P52 F58	R50-A54 HydrophobicContact CB-CB 4.29Å; R51-A54 WeakPolarHBondContact O-CA 3.47Å; R51-A54 WeakPolarHBondContact O-CB 3.45Å; R51-A54 PolarHBondContact O-N 3.31Å; P52-A54 PolarHBondContact O-N 3.15Å; A54-F58 WeakPolarHBondContact O-CB 3.25Å; A54-F58 PolarHBondContact O-N 3.28Å
55	S	90.7	Very high	81.2	Confident	5 Å²	5	72.3 Å²	72.3	4%	0.035	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-48	171.9	-63.3	0	0	0	0	111.1	R50 R51 P52 F58 I59	R50-S55 WeakPolarHBondContact CB-OG 3.27Å; R51-S55 PolarHBondContact O-N 3.29Å; R51-S55 VanDerWaalsContact O-N 3.14Å; P52-S55 WeakPolarHBondContact O-CB 3.19Å; P52-S55 PolarHBondContact O-N 2.97Å; S55-F58 WeakPolarHBondContact O-CB 3.42Å; S55-F58 PolarHBondContact O-N 3Å; S55-F58 VanDerWaalsContact O-N 3.17Å; S55-I59 VanDerWaalsContact O-CG1 3.29Å; S55-I59 WeakPolarHBondContact O-CG1 3.23Å; S55-I59 PolarHBondContact O-N 3.28Å
56	L	92.3	Very high	83.3	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-57.5	-51.4	175.8	180	65.4	0	0	0	111.5	P52 F58 I59 L60 A73 M76 L85 V89 I96	P52-L56 WeakPolarHBondContact O-CB 3.42Å; P52-L56 PolarHBondContact O-N 3.13Å; L56-F58 PolarHBondContact O-N 3.13Å; L56-I59 PolarHBondContact O-N 2.61Å; L56-L60 HydrophobicContact CD1-CD1 4.16Å; L56-L60 HydrophobicContact CD1-CG 4.28Å; L56-L60 HydrophobicContact CG-CD1 4.04Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 3.47Å; L56-A73 HydrophobicContact CD2-CB 4.2Å; L56-A73 HydrophobicContact CG-CB 4.33Å; L56-M76 HydrophobicContact CD1-CE 4.13Å; L56-M76 HydrophobicContact CD1-SD 4.23Å; L56-M76 HydrophobicContact CD2-CB 3.79Å; L56-M76 HydrophobicContact CD2-CE 3.79Å; L56-M76 HydrophobicContact CD2-CG 4.3Å; L56-M76 HydrophobicContact CD2-SD 3.67Å; L56-M76 HydrophobicContact CG-SD 4.42Å; L56-L85 HydrophobicContact CD2-CD2 4.11Å; L56-V89 HydrophobicContact CB-CG1 3.78Å; L56-V89 HydrophobicContact CD1-CG1 4.39Å; L56-I96 HydrophobicContact CD1-CG2 3.82Å
57	K	93.7	Very high	85.3	Confident	81 Å²	81	75.7 Å²	75.7	35%	0.352	37%	0.374	S	S	.	.	H	α-helix	trans	-52.9	-45.7	175.9	179.6	173.5	177.5	167.2	0	111.1	K53 L60 T61 S70 A73	K53-K57 WeakPolarHBondContact O-CB 3.32Å; K53-K57 PolarHBondContact O-N 3.3Å; K57-L60 PolarHBondContact O-N 3.17Å; K57-T61 VanDerWaalsContact O-CG2 3.31Å; K57-T61 WeakPolarHBondContact O-CG2 3.43Å; K57-T61 PolarHBondContact O-N 3.43Å; K57-S70 PolarHBondContact NZ-OG 3.48Å; K57-A73 HydrophobicContact CB-CB 3.86Å
58	F	92.1	Very high	87.2	Confident	90 Å²	90	72.6 Å²	72.6	40%	0.395	35%	0.351	S	S	.	.	H	α-helix	trans	-64.2	-46.4	179.3	-178.6	-100.6	0	0	0	112.4	A54 S55 L56 L60 T61	A54-F58 WeakPolarHBondContact O-CB 3.25Å; A54-F58 PolarHBondContact O-N 3.28Å; S55-F58 WeakPolarHBondContact O-CB 3.42Å; S55-F58 PolarHBondContact O-N 3Å; S55-F58 VanDerWaalsContact O-N 3.17Å; L56-F58 PolarHBondContact O-N 3.13Å; F58-L60 VanDerWaalsContact C-N 3.27Å; F58-L60 PolarHBondContact O-N 2.61Å; F58-T61 PolarHBondContact O-N 3.09Å; F58-T61 PolarHBondContact O-OG1 3.44Å
59	I	91	Very high	89.4	Confident	9 Å²	9	68.7 Å²	68.7	5%	0.046	33%	0.325	C	S	.	.	H	α-helix	trans	-56.9	-44.4	176.4	-64.8	165.6	0	0	0	110.4	L46 S55 L56 T61 I62 W63 V89 I96	L46-I59 HydrophobicContact CD1-CD1 3.84Å; L46-I59 HydrophobicContact CD1-CG1 4.27Å; S55-I59 VanDerWaalsContact O-CG1 3.29Å; S55-I59 WeakPolarHBondContact O-CG1 3.23Å; S55-I59 PolarHBondContact O-N 3.28Å; L56-I59 PolarHBondContact O-N 2.61Å; I59-T61 VanDerWaalsContact C-N 3.26Å; I59-T61 PolarHBondContact O-N 2.87Å; I59-I62 WeakPolarHBondContact O-CG1 3.39Å; I59-I62 PolarHBondContact O-N 3Å; I59-W63 HydrophobicContact CG2-CZ3 4.07Å; I59-W63 VanDerWaalsContact O-CZ3 3.26Å; I59-W63 WeakPolarHBondContact O-CZ3 3.42Å; I59-V89 HydrophobicContact CD1-CB 4.17Å; I59-V89 HydrophobicContact CD1-CG1 4.3Å; I59-I96 HydrophobicContact CD1-CD1 3.9Å; I59-I96 HydrophobicContact CG2-CD1 4.29Å; I59-I96 HydrophobicContact CG2-CG2 4.08Å
60	L	93.7	Very high	91.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-25	-177.5	-66.2	176.5	0	0	0	113.8	L56 K57 F58 I62 W63 Y64 S69 I72 I96 L97 A100	L56-L60 HydrophobicContact CD1-CD1 4.16Å; L56-L60 HydrophobicContact CD1-CG 4.28Å; L56-L60 HydrophobicContact CG-CD1 4.04Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 3.47Å; K57-L60 PolarHBondContact O-N 3.17Å; F58-L60 VanDerWaalsContact C-N 3.27Å; F58-L60 PolarHBondContact O-N 2.61Å; L60-I62 PolarHBondContact O-N 3.35Å; L60-W63 PolarHBondContact O-N 3.41Å; L60-Y64 HydrophobicContact CB-CD2 4.25Å; L60-Y64 HydrophobicContact CD2-CD2 4.25Å; L60-Y64 HydrophobicContact CD2-CE2 4.19Å; L60-Y64 PolarHBondContact O-N 2.91Å; L60-S69 VanDerWaalsContact C-OG 3.27Å; L60-S69 PolarHBondContact O-OG 3.26Å; L60-I72 HydrophobicContact CD1-CB 3.92Å; L60-I72 HydrophobicContact CD1-CG2 3.58Å; L60-I96 HydrophobicContact CD2-CG2 4.25Å; L60-L97 HydrophobicContact CD2-CD2 4.47Å; L60-A100 HydrophobicContact CD1-CB 4.35Å; L60-A100 HydrophobicContact CD2-CB 3.41Å; L60-A100 VanDerWaalsContact CD2-CB 3.41Å
61	T	93.2	Very high	92.5	Very high	58 Å²	58	55.1 Å²	55.1	36%	0.356	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.8	177.8	62.8	0	0	0	0	114.6	K57 F58 I59 W63 S69	K57-T61 VanDerWaalsContact O-CG2 3.31Å; K57-T61 WeakPolarHBondContact O-CG2 3.43Å; K57-T61 PolarHBondContact O-N 3.43Å; F58-T61 PolarHBondContact O-N 3.09Å; F58-T61 PolarHBondContact O-OG1 3.44Å; I59-T61 VanDerWaalsContact C-N 3.26Å; I59-T61 PolarHBondContact O-N 2.87Å; T61-W63 VanDerWaalsContact C-N 3.3Å; T61-S69 WeakPolarHBondContact CA-OG 3.26Å; T61-S69 PolarHBondContact N-OG 3.47Å
62	I	91.4	Very high	92.9	Very high	78 Å²	78	46 Å²	46	40%	0.4	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-28.9	173.2	-60.5	164	0	0	0	111	Y44 I59 L60	Y44-I62 HydrophobicContact CE1-CD1 4.38Å; Y44-I62 HydrophobicContact CE2-CD1 4.03Å; Y44-I62 WeakPolarHBondContact OH-CD1 3.43Å; I59-I62 WeakPolarHBondContact O-CG1 3.39Å; I59-I62 PolarHBondContact O-N 3Å; L60-I62 PolarHBondContact O-N 3.35Å
63	W	92.1	Very high	93.2	Very high	121 Å²	121	45.9 Å²	45.9	46%	0.458	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-28.5	-175	-64.1	-87	0	0	0	114.3	I59 L60 T61 T93 L97	I59-W63 HydrophobicContact CG2-CZ3 4.07Å; I59-W63 VanDerWaalsContact O-CZ3 3.26Å; I59-W63 WeakPolarHBondContact O-CZ3 3.42Å; L60-W63 PolarHBondContact O-N 3.41Å; T61-W63 VanDerWaalsContact C-N 3.3Å; W63-T93 HydrophobicContact CH2-CG2 3.09Å; W63-T93 HydrophobicContact CZ2-CG2 3.63Å; W63-T93 HydrophobicContact CZ3-CG2 3.82Å; W63-L97 HydrophobicContact CB-CD2 4.16Å; W63-L97 HydrophobicContact CD2-CD1 3.74Å; W63-L97 HydrophobicContact CD2-CD2 3.56Å; W63-L97 HydrophobicContact CD2-CG 4.15Å; W63-L97 HydrophobicContact CE3-CD1 4.11Å; W63-L97 HydrophobicContact CE3-CD2 3.5Å; W63-L97 VanDerWaalsContact CE3-CD2 3.5Å; W63-L97 HydrophobicContact CE3-CG 4.11Å; W63-L97 HydrophobicContact CG-CD1 4.26Å; W63-L97 HydrophobicContact CG-CD2 3.82Å; W63-L97 HydrophobicContact CH2-CD1 4.21Å; W63-L97 HydrophobicContact CZ2-CD1 3.78Å; W63-L97 HydrophobicContact CZ3-CD1 4.31Å; W63-L97 HydrophobicContact CZ3-CD2 4.18Å; W63-L97 HydrophobicContact CZ3-CG 4.36Å
64	Y	92.4	Very high	93.3	Very high	51 Å²	51	46.9 Å²	46.9	20%	0.2	25%	0.246	C	C	.	.	S	Bend	trans	-116.2	158.5	-177.6	-60.2	-79.4	0	0	0	111	L60 T68 S69 I72 L97 A100 F104	L60-Y64 HydrophobicContact CB-CD2 4.25Å; L60-Y64 HydrophobicContact CD2-CD2 4.25Å; L60-Y64 HydrophobicContact CD2-CE2 4.19Å; L60-Y64 PolarHBondContact O-N 2.91Å; Y64-T68 HydrophobicContact CD1-CG2 3.67Å; Y64-T68 HydrophobicContact CG-CG2 4.01Å; Y64-S69 WeakPolarHBondContact CB-OG 3.47Å; Y64-S69 PolarHBondContact O-OG 3.17Å; Y64-I72 HydrophobicContact CD1-CD1 4.06Å; Y64-I72 HydrophobicContact CD2-CD1 3.9Å; Y64-I72 HydrophobicContact CE1-CD1 4.07Å; Y64-I72 HydrophobicContact CE2-CD1 3.92Å; Y64-I72 HydrophobicContact CG-CD1 3.97Å; Y64-L97 HydrophobicContact CE2-CD2 4.29Å; Y64-A100 HydrophobicContact CE2-CB 4.24Å; Y64-F104 HydrophobicContact CE1-CD2 4.33Å; Y64-F104 HydrophobicContact CE1-CG 4.28Å
65	S	93.8	Very high	93.5	Very high	50 Å²	50	45.5 Å²	45.5	35%	0.35	24%	0.235	S	C	.	.			trans	-59.6	157.8	171	72.7	0	0	0	0	110.9	E67 T68 S69	S65-E67 WeakPolarHBondContact CB-OE2 3.22Å; S65-E67 PolarHBondContact O-N 2.9Å; S65-E67 PolarHBondContact OG-OE2 3.45Å; S65-T68 PolarHBondContact O-N 3.45Å; S65-T68 WeakPolarHBondContact OG-CB 3.29Å; S65-T68 PolarHBondContact OG-N 3.05Å; S65-T68 VanDerWaalsContact OG-N 3.16Å; S65-T68 PolarHBondContact OG-OG1 2.96Å; S65-T68 VanDerWaalsContact OG-OG1 3.11Å; S65-S69 VanDerWaalsContact O-CB 3.27Å; S65-S69 WeakPolarHBondContact O-CB 3.49Å; S65-S69 PolarHBondContact O-N 3.32Å; S65-S69 PolarHBondContact O-OG 2.89Å
66	P	93.8	Very high	93.7	Very high	78 Å²	78	45.3 Å²	45.3	51%	0.506	23%	0.233	S	C	.	.	H	α-helix	trans	-54.6	-35.6	175.7	-27.2	36.2	0	0	0	113.5	S70	P66-S70 WeakPolarHBondContact O-CB 3.43Å; P66-S70 PolarHBondContact O-N 2.65Å
67	E	94.6	Very high	93.7	Very high	136 Å²	136	47.1 Å²	47.1	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-67.6	-52.8	177.7	-61.1	73	-157	0	0	110.7	S65 S69 S70 A71	S65-E67 WeakPolarHBondContact CB-OE2 3.22Å; S65-E67 PolarHBondContact O-N 2.9Å; S65-E67 PolarHBondContact OG-OE2 3.45Å; E67-S69 VanDerWaalsContact C-N 3.35Å; E67-S69 PolarHBondContact O-N 3.28Å; E67-S70 WeakPolarHBondContact O-CB 3.43Å; E67-S70 PolarHBondContact O-N 3.19Å; E67-S70 VanDerWaalsContact O-N 3.13Å; E67-A71 PolarHBondContact O-N 3.17Å
68	T	94.1	Very high	93.7	Very high	28 Å²	28	48 Å²	48	17%	0.172	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-41.1	178.9	-61.4	0	0	0	0	111.4	Y64 S65 S70 A71 I72 F104 I109	Y64-T68 HydrophobicContact CD1-CG2 3.67Å; Y64-T68 HydrophobicContact CG-CG2 4.01Å; S65-T68 PolarHBondContact O-N 3.45Å; S65-T68 WeakPolarHBondContact OG-CB 3.29Å; S65-T68 PolarHBondContact OG-N 3.05Å; S65-T68 VanDerWaalsContact OG-N 3.16Å; S65-T68 PolarHBondContact OG-OG1 2.96Å; S65-T68 VanDerWaalsContact OG-OG1 3.11Å; T68-S70 VanDerWaalsContact C-N 3.27Å; T68-S70 PolarHBondContact O-N 3.35Å; T68-A71 PolarHBondContact O-N 3.04Å; T68-I72 HydrophobicContact CG2-CD1 3.8Å; T68-I72 HydrophobicContact CG2-CG1 4.34Å; T68-I72 VanDerWaalsContact O-CG1 3.32Å; T68-I72 WeakPolarHBondContact O-CG1 3.3Å; T68-I72 PolarHBondContact O-N 3.46Å; T68-F104 HydrophobicContact CG2-CD2 3.58Å; T68-F104 HydrophobicContact CG2-CE2 3.45Å; T68-F104 VanDerWaalsContact CG2-CE2 3.45Å; T68-I109 HydrophobicContact CG2-CD1 4.08Å
69	S	94.8	Very high	93.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-38.4	174.8	-59.7	0	0	0	0	111.8	L60 T61 Y64 S65 E67 A73	L60-S69 VanDerWaalsContact C-OG 3.27Å; L60-S69 PolarHBondContact O-OG 3.26Å; T61-S69 WeakPolarHBondContact CA-OG 3.26Å; T61-S69 PolarHBondContact N-OG 3.47Å; Y64-S69 WeakPolarHBondContact CB-OG 3.47Å; Y64-S69 PolarHBondContact O-OG 3.17Å; S65-S69 VanDerWaalsContact O-CB 3.27Å; S65-S69 WeakPolarHBondContact O-CB 3.49Å; S65-S69 PolarHBondContact O-N 3.32Å; S65-S69 PolarHBondContact O-OG 2.89Å; E67-S69 VanDerWaalsContact C-N 3.35Å; E67-S69 PolarHBondContact O-N 3.28Å; S69-A73 VanDerWaalsContact O-CB 3.22Å; S69-A73 WeakPolarHBondContact O-CB 3.4Å; S69-A73 PolarHBondContact O-N 2.84Å
70	S	94.7	Very high	93.9	Very high	24 Å²	24	49.6 Å²	49.6	17%	0.168	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-46.4	175	-153.6	0	0	0	0	111.4	K57 P66 E67 T68 A73 E74	K57-S70 PolarHBondContact NZ-OG 3.48Å; P66-S70 WeakPolarHBondContact O-CB 3.43Å; P66-S70 PolarHBondContact O-N 2.65Å; E67-S70 WeakPolarHBondContact O-CB 3.43Å; E67-S70 PolarHBondContact O-N 3.19Å; E67-S70 VanDerWaalsContact O-N 3.13Å; T68-S70 VanDerWaalsContact C-N 3.27Å; T68-S70 PolarHBondContact O-N 3.35Å; S70-A73 PolarHBondContact O-N 3.26Å; S70-E74 WeakPolarHBondContact O-CB 3.4Å; S70-E74 WeakPolarHBondContact O-CG 3.29Å; S70-E74 PolarHBondContact O-N 2.83Å; S70-E74 PolarHBondContact OG-OE1 2.8Å
71	A	95.6	Very high	93.9	Very high	28 Å²	28	53.5 Å²	53.5	23%	0.231	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-45.1	179.9	0	0	0	0	0	111.9	E67 T68 E74 A75 L107 I109	E67-A71 PolarHBondContact O-N 3.17Å; T68-A71 PolarHBondContact O-N 3.04Å; A71-E74 PolarHBondContact O-N 3.26Å; A71-A75 WeakPolarHBondContact O-CB 3.41Å; A71-A75 PolarHBondContact O-N 3.04Å; A71-L107 HydrophobicContact CB-CD1 3.95Å; A71-I109 HydrophobicContact CB-CD1 4.14Å
72	I	95.4	Very high	93.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-47.6	176.2	-63.7	166.6	0	0	0	110.5	L60 Y64 T68 E74 A75 M76 A100 H103 F104 L107	L60-I72 HydrophobicContact CD1-CB 3.92Å; L60-I72 HydrophobicContact CD1-CG2 3.58Å; Y64-I72 HydrophobicContact CD1-CD1 4.06Å; Y64-I72 HydrophobicContact CD2-CD1 3.9Å; Y64-I72 HydrophobicContact CE1-CD1 4.07Å; Y64-I72 HydrophobicContact CE2-CD1 3.92Å; Y64-I72 HydrophobicContact CG-CD1 3.97Å; T68-I72 HydrophobicContact CG2-CD1 3.8Å; T68-I72 HydrophobicContact CG2-CG1 4.34Å; T68-I72 VanDerWaalsContact O-CG1 3.32Å; T68-I72 WeakPolarHBondContact O-CG1 3.3Å; T68-I72 PolarHBondContact O-N 3.46Å; I72-E74 PolarHBondContact O-N 3.14Å; I72-A75 PolarHBondContact O-N 2.99Å; I72-M76 HydrophobicContact CG2-CG 4.29Å; I72-M76 HydrophobicContact CG2-SD 3.88Å; I72-M76 WeakPolarHBondContact O-CB 3.29Å; I72-M76 WeakPolarHBondContact O-CG 3.5Å; I72-M76 PolarHBondContact O-N 3.31Å; I72-A100 HydrophobicContact CG2-CB 3.89Å; I72-H103 HydrophobicContact CG2-CB 4.23Å; I72-F104 HydrophobicContact CD1-CB 3.91Å; I72-F104 HydrophobicContact CD1-CD2 3.93Å; I72-F104 HydrophobicContact CD1-CG 4.31Å; I72-F104 HydrophobicContact CG1-CB 4.16Å; I72-F104 HydrophobicContact CG1-CD2 4.27Å; I72-L107 HydrophobicContact CG1-CD1 4.05Å
73	A	94.6	Very high	93.8	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-32.5	178.9	0	0	0	0	0	112.3	K53 L56 K57 S69 S70 S77	K53-A73 HydrophobicContact CG-CB 4.45Å; L56-A73 HydrophobicContact CD2-CB 4.2Å; L56-A73 HydrophobicContact CG-CB 4.33Å; K57-A73 HydrophobicContact CB-CB 3.86Å; S69-A73 VanDerWaalsContact O-CB 3.22Å; S69-A73 WeakPolarHBondContact O-CB 3.4Å; S69-A73 PolarHBondContact O-N 2.84Å; S70-A73 PolarHBondContact O-N 3.26Å; A73-S77 VanDerWaalsContact O-CB 3.25Å; A73-S77 WeakPolarHBondContact O-CB 3.35Å; A73-S77 PolarHBondContact O-N 3.28Å; A73-S77 PolarHBondContact O-OG 2.93Å
74	E	94.9	Very high	93.9	Very high	101 Å²	101	55.6 Å²	55.6	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-49.6	171.8	-83.8	168.9	-151.3	0	0	112.2	K53 S70 A71 I72 M76 S77 S78	K53-E74 VanDerWaalsContact NZ-CG 3.29Å; S70-E74 WeakPolarHBondContact O-CB 3.4Å; S70-E74 WeakPolarHBondContact O-CG 3.29Å; S70-E74 PolarHBondContact O-N 2.83Å; S70-E74 PolarHBondContact OG-OE1 2.8Å; A71-E74 PolarHBondContact O-N 3.26Å; I72-E74 PolarHBondContact O-N 3.14Å; E74-M76 VanDerWaalsContact C-N 3.32Å; E74-M76 PolarHBondContact O-N 3.39Å; E74-S77 WeakPolarHBondContact CA-OG 3.43Å; E74-S77 PolarHBondContact O-N 3.3Å; E74-S77 VanDerWaalsContact O-N 3.09Å; E74-S77 PolarHBondContact O-OG 3.26Å; E74-S78 PolarHBondContact O-N 3.37Å
75	A	94.9	Very high	93.9	Very high	17 Å²	17	53.6 Å²	53.6	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-38.1	177	0	0	0	0	0	112.9	A71 I72 S78 T79 L107	A71-A75 WeakPolarHBondContact O-CB 3.41Å; A71-A75 PolarHBondContact O-N 3.04Å; I72-A75 PolarHBondContact O-N 2.99Å; A75-S78 PolarHBondContact O-N 2.92Å; A75-S78 PolarHBondContact O-OG 3.04Å; A75-T79 PolarHBondContact O-N 2.97Å; A75-T79 PolarHBondContact O-OG1 3.32Å; A75-L107 HydrophobicContact CB-CD1 4.28Å; A75-L107 HydrophobicContact CB-CD2 4.13Å; A75-L107 HydrophobicContact CB-CG 4.32Å
76	M	94.3	Very high	93.8	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68	-40.3	173.1	-71.6	-177.1	66.7	0	0	110.7	L56 I72 E74 S78 T79 Y80 L85 I88 L99 H103	L56-M76 HydrophobicContact CD1-CE 4.13Å; L56-M76 HydrophobicContact CD1-SD 4.23Å; L56-M76 HydrophobicContact CD2-CB 3.79Å; L56-M76 HydrophobicContact CD2-CE 3.79Å; L56-M76 HydrophobicContact CD2-CG 4.3Å; L56-M76 HydrophobicContact CD2-SD 3.67Å; L56-M76 HydrophobicContact CG-SD 4.42Å; I72-M76 HydrophobicContact CG2-CG 4.29Å; I72-M76 HydrophobicContact CG2-SD 3.88Å; I72-M76 WeakPolarHBondContact O-CB 3.29Å; I72-M76 WeakPolarHBondContact O-CG 3.5Å; I72-M76 PolarHBondContact O-N 3.31Å; E74-M76 VanDerWaalsContact C-N 3.32Å; E74-M76 PolarHBondContact O-N 3.39Å; M76-S78 VanDerWaalsContact C-N 3.27Å; M76-S78 PolarHBondContact O-N 3.39Å; M76-T79 PolarHBondContact O-N 3.02Å; M76-T79 VanDerWaalsContact O-N 3.08Å; M76-Y80 HydrophobicContact CB-CD2 4.14Å; M76-Y80 HydrophobicContact CE-CD2 4.41Å; M76-Y80 HydrophobicContact CE-CE2 4.26Å; M76-Y80 HydrophobicContact CG-CE2 4.47Å; M76-Y80 WeakPolarHBondContact O-CB 3.3Å; M76-Y80 VanDerWaalsContact O-CD2 3.29Å; M76-Y80 WeakPolarHBondContact O-CD2 3.42Å; M76-Y80 PolarHBondContact O-N 3.09Å; M76-L85 HydrophobicContact CB-CD2 4.23Å; M76-I88 HydrophobicContact CE-CD1 4.16Å; M76-I88 HydrophobicContact CE-CG2 3.95Å; M76-L99 HydrophobicContact CE-CB 4.43Å; M76-L99 HydrophobicContact CE-CD2 3.45Å; M76-L99 VanDerWaalsContact CE-CD2 3.45Å; M76-L99 HydrophobicContact CE-CG 3.69Å; M76-H103 HydrophobicContact CG-CB 4.23Å; M76-H103 WeakPolarHBondContact CG-CD2 3.37Å
77	S	92.7	Very high	93.7	Very high	38 Å²	38	58.1 Å²	58.1	27%	0.266	32%	0.315	S	S	.	.	H	α-helix	trans	-69.2	-19.5	178.4	71.5	0	0	0	0	115.2	K53 A73 E74	K53-S77 PolarHBondContact NZ-OG 2.89Å; A73-S77 VanDerWaalsContact O-CB 3.25Å; A73-S77 WeakPolarHBondContact O-CB 3.35Å; A73-S77 PolarHBondContact O-N 3.28Å; A73-S77 PolarHBondContact O-OG 2.93Å; E74-S77 WeakPolarHBondContact CA-OG 3.43Å; E74-S77 PolarHBondContact O-N 3.3Å; E74-S77 VanDerWaalsContact O-N 3.09Å; E74-S77 PolarHBondContact O-OG 3.26Å
78	S	93.2	Very high	93.6	Very high	99 Å²	99	52.7 Å²	52.7	69%	0.692	29%	0.291	S	S	*	.	H	α-helix	trans	-84.2	-20.1	170.6	60.8	0	0	0	0	113	E74 A75 M76	E74-S78 PolarHBondContact O-N 3.37Å; A75-S78 PolarHBondContact O-N 2.92Å; A75-S78 PolarHBondContact O-OG 3.04Å; M76-S78 VanDerWaalsContact C-N 3.27Å; M76-S78 PolarHBondContact O-N 3.39Å
79	T	94.1	Very high	93.5	Very high	80 Å²	80	52.1 Å²	52.1	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-95	-36.4	-178.1	-53.9	0	0	0	0	112.5	A75 M76 H103	A75-T79 PolarHBondContact O-N 2.97Å; A75-T79 PolarHBondContact O-OG1 3.32Å; M76-T79 PolarHBondContact O-N 3.02Å; M76-T79 VanDerWaalsContact O-N 3.08Å; T79-H103 PolarHBondContact OG1-CE1 3.49Å
80	Y	94.4	Very high	93.2	Very high	53 Å²	53	56.4 Å²	56.4	21%	0.208	32%	0.317	C	S	.	.	S	Bend	trans	-111.1	143.7	-173.1	-63.3	-68.6	0	0	0	112.3	M76 Q84 L85 I88 L99 H103	M76-Y80 HydrophobicContact CB-CD2 4.14Å; M76-Y80 HydrophobicContact CE-CD2 4.41Å; M76-Y80 HydrophobicContact CE-CE2 4.26Å; M76-Y80 HydrophobicContact CG-CE2 4.47Å; M76-Y80 WeakPolarHBondContact O-CB 3.3Å; M76-Y80 VanDerWaalsContact O-CD2 3.29Å; M76-Y80 WeakPolarHBondContact O-CD2 3.42Å; M76-Y80 PolarHBondContact O-N 3.09Å; Y80-Q84 HydrophobicContact CD1-CB 4.12Å; Y80-Q84 HydrophobicContact CG-CB 4.45Å; Y80-L85 HydrophobicContact CD2-CD2 4.3Å; Y80-L85 HydrophobicContact CG-CD2 4.44Å; Y80-I88 HydrophobicContact CD1-CD1 4.01Å; Y80-I88 HydrophobicContact CD2-CD1 3.8Å; Y80-I88 HydrophobicContact CE1-CD1 4.23Å; Y80-I88 HydrophobicContact CE2-CD1 4.04Å; Y80-I88 HydrophobicContact CG-CD1 3.8Å; Y80-L99 HydrophobicContact CE2-CD1 4.38Å; Y80-L99 HydrophobicContact CE2-CD2 3.94Å; Y80-L99 HydrophobicContact CE2-CG 4.43Å; Y80-L99 VanDerWaalsContact OH-CD1 3.3Å; Y80-L99 WeakPolarHBondContact OH-CD1 3.34Å; Y80-H103 AromaticContact CE2-NE2 3.41Å; Y80-H103 WeakPolarHBondContact CE2-NE2 3.44Å
81	T	93.5	Very high	93.1	Very high	82 Å²	82	57.9 Å²	57.9	50%	0.503	33%	0.327	S	S	.	.			trans	-68.4	163.3	170	69	0	0	0	0	111.1	V83 Q84 L85	T81-V83 PolarHBondContact O-N 2.84Å; T81-Q84 PolarHBondContact O-N 2.9Å; T81-Q84 VanDerWaalsContact O-N 3.13Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.47Å; T81-Q84 PolarHBondContact OG1-N 3.5Å; T81-Q84 PolarHBondContact OG1-OE1 2.96Å; T81-L85 WeakPolarHBondContact O-CG 3.43Å; T81-L85 PolarHBondContact O-N 3.08Å
82	E	90.4	Very high	92.9	Very high	124 Å²	124	59 Å²	59	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-58.3	-36.5	177.8	-169.3	166.6	145.8	0	0	112.5	P52 L85 Q86	P52-E82 HydrophobicContact CG-CG 3.81Å; E82-L85 PolarHBondContact O-N 3.23Å; E82-Q86 WeakPolarHBondContact O-CB 3.37Å; E82-Q86 PolarHBondContact O-N 3.34Å
83	V	90.9	Very high	92.6	Very high	98 Å²	98	60.2 Å²	60.2	59%	0.594	34%	0.341	S	S	*	.	H	α-helix	trans	-65.5	-45	175.6	-179.2	0	0	0	0	111.2	T81 L85 Q86 E87	T81-V83 PolarHBondContact O-N 2.84Å; V83-L85 PolarHBondContact O-N 2.87Å; V83-Q86 WeakPolarHBondContact O-CB 3.49Å; V83-Q86 PolarHBondContact O-N 2.84Å; V83-Q86 VanDerWaalsContact O-N 3.17Å; V83-E87 WeakPolarHBondContact O-CG 3.25Å; V83-E87 PolarHBondContact O-N 2.99Å
84	Q	93.9	Very high	92.5	Very high	80 Å²	80	67 Å²	67	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-39.3	176.7	-72.7	172.2	-32.8	0	0	111.9	Y80 T81 Q86 E87 I88	Y80-Q84 HydrophobicContact CD1-CB 4.12Å; Y80-Q84 HydrophobicContact CG-CB 4.45Å; T81-Q84 PolarHBondContact O-N 2.9Å; T81-Q84 VanDerWaalsContact O-N 3.13Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.47Å; T81-Q84 PolarHBondContact OG1-N 3.5Å; T81-Q84 PolarHBondContact OG1-OE1 2.96Å; Q84-Q86 VanDerWaalsContact C-N 3.3Å; Q84-Q86 PolarHBondContact O-N 3.48Å; Q84-E87 PolarHBondContact O-N 3.31Å; Q84-I88 WeakPolarHBondContact O-CD1 3.41Å; Q84-I88 VanDerWaalsContact O-CG1 3.23Å; Q84-I88 WeakPolarHBondContact O-CG1 3.47Å; Q84-I88 PolarHBondContact O-N 3.44Å
85	L	93	Very high	92.4	Very high	8 Å²	8	65.9 Å²	65.9	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-40	173.1	-70	174.6	0	0	0	111.2	P52 L56 M76 Y80 T81 E82 V83 E87 I88 V89	P52-L85 HydrophobicContact CB-CB 3.47Å; P52-L85 VanDerWaalsContact CB-CB 3.47Å; P52-L85 HydrophobicContact CB-CD1 4.47Å; P52-L85 HydrophobicContact CG-CB 4.47Å; L56-L85 HydrophobicContact CD2-CD2 4.11Å; M76-L85 HydrophobicContact CB-CD2 4.23Å; Y80-L85 HydrophobicContact CD2-CD2 4.3Å; Y80-L85 HydrophobicContact CG-CD2 4.44Å; T81-L85 WeakPolarHBondContact O-CG 3.43Å; T81-L85 PolarHBondContact O-N 3.08Å; E82-L85 PolarHBondContact O-N 3.23Å; V83-L85 PolarHBondContact O-N 2.87Å; L85-E87 VanDerWaalsContact C-N 3.33Å; L85-I88 HydrophobicContact CD2-CD1 4.49Å; L85-I88 PolarHBondContact O-N 2.8Å; L85-V89 WeakPolarHBondContact O-CG1 3.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.46Å; L85-V89 PolarHBondContact O-N 3.24Å
86	Q	91.2	Very high	92.3	Very high	100 Å²	100	65.2 Å²	65.2	47%	0.467	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-42.2	175.9	-173.3	83.6	40.6	0	0	111.1	P52 E82 V83 Q84 V89 S90	P52-Q86 HydrophobicContact CG-CB 3.99Å; P52-Q86 VanDerWaalsContact CG-OE1 3.27Å; E82-Q86 WeakPolarHBondContact O-CB 3.37Å; E82-Q86 PolarHBondContact O-N 3.34Å; V83-Q86 WeakPolarHBondContact O-CB 3.49Å; V83-Q86 PolarHBondContact O-N 2.84Å; V83-Q86 VanDerWaalsContact O-N 3.17Å; Q84-Q86 VanDerWaalsContact C-N 3.3Å; Q84-Q86 PolarHBondContact O-N 3.48Å; Q86-V89 VanDerWaalsContact O-CG2 3.27Å; Q86-V89 WeakPolarHBondContact O-CG2 3.3Å; Q86-S90 WeakPolarHBondContact O-CB 3.44Å; Q86-S90 PolarHBondContact O-N 3.3Å; Q86-S90 PolarHBondContact O-OG 3.37Å
87	E	92.3	Very high	92.2	Very high	123 Å²	123	67 Å²	67	58%	0.575	37%	0.37	S	S	*	.	H	α-helix	trans	-63.1	-47.5	174	-70.1	174	167.7	0	0	111	V83 Q84 L85 V89 S90 S91	V83-E87 WeakPolarHBondContact O-CG 3.25Å; V83-E87 PolarHBondContact O-N 2.99Å; Q84-E87 PolarHBondContact O-N 3.31Å; L85-E87 VanDerWaalsContact C-N 3.33Å; E87-V89 PolarHBondContact O-N 3.3Å; E87-S90 CarbonylContact O-C 3.54Å; E87-S90 WeakPolarHBondContact O-CA 3.31Å; E87-S90 WeakPolarHBondContact O-CB 3.46Å; E87-S90 PolarHBondContact O-N 3.2Å; E87-S91 PolarHBondContact O-N 3.05Å; E87-S91 VanDerWaalsContact O-N 3.09Å; E87-S91 PolarHBondContact O-OG 3.49Å
88	I	92.7	Very high	92.3	Very high	23 Å²	23	70.3 Å²	70.3	12%	0.118	38%	0.382	C	S	.	.	H	α-helix	trans	-58	-48.8	178.5	-69.5	159.9	0	0	0	111.4	M76 Y80 Q84 L85 S90 S91 I96 L99	M76-I88 HydrophobicContact CE-CD1 4.16Å; M76-I88 HydrophobicContact CE-CG2 3.95Å; Y80-I88 HydrophobicContact CD1-CD1 4.01Å; Y80-I88 HydrophobicContact CD2-CD1 3.8Å; Y80-I88 HydrophobicContact CE1-CD1 4.23Å; Y80-I88 HydrophobicContact CE2-CD1 4.04Å; Y80-I88 HydrophobicContact CG-CD1 3.8Å; Q84-I88 WeakPolarHBondContact O-CD1 3.41Å; Q84-I88 VanDerWaalsContact O-CG1 3.23Å; Q84-I88 WeakPolarHBondContact O-CG1 3.47Å; Q84-I88 PolarHBondContact O-N 3.44Å; L85-I88 HydrophobicContact CD2-CD1 4.49Å; L85-I88 PolarHBondContact O-N 2.8Å; I88-S90 PolarHBondContact O-N 3.25Å; I88-S91 VanDerWaalsContact O-CB 3.25Å; I88-S91 WeakPolarHBondContact O-CB 3.35Å; I88-S91 PolarHBondContact O-N 3.2Å; I88-I96 HydrophobicContact CG2-CG1 4.26Å; I88-I96 WeakPolarHBondContact O-CD1 3.44Å; I88-I96 WeakPolarHBondContact O-CG1 3.36Å; I88-L99 HydrophobicContact CD1-CD2 3.61Å; I88-L99 HydrophobicContact CG1-CD2 3.94Å; I88-L99 HydrophobicContact CG2-CD2 4.12Å
89	V	91.6	Very high	92.3	Very high	15 Å²	15	67.3 Å²	67.3	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-68.8	-15	180	-60.2	0	0	0	0	113.1	L56 I59 L85 Q86 E87	L56-V89 HydrophobicContact CB-CG1 3.78Å; L56-V89 HydrophobicContact CD1-CG1 4.39Å; I59-V89 HydrophobicContact CD1-CB 4.17Å; I59-V89 HydrophobicContact CD1-CG1 4.3Å; L85-V89 WeakPolarHBondContact O-CG1 3.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.46Å; L85-V89 PolarHBondContact O-N 3.24Å; Q86-V89 VanDerWaalsContact O-CG2 3.27Å; Q86-V89 WeakPolarHBondContact O-CG2 3.3Å; E87-V89 PolarHBondContact O-N 3.3Å
90	S	89.9	Confident	92.3	Very high	90 Å²	90	63.5 Å²	63.5	63%	0.629	33%	0.334	S	S	*	.	H	α-helix	trans	-91.7	-9.6	174	-53.1	0	0	0	0	112.7	Q86 E87 I88	Q86-S90 WeakPolarHBondContact O-CB 3.44Å; Q86-S90 PolarHBondContact O-N 3.3Å; Q86-S90 PolarHBondContact O-OG 3.37Å; E87-S90 CarbonylContact O-C 3.54Å; E87-S90 WeakPolarHBondContact O-CA 3.31Å; E87-S90 WeakPolarHBondContact O-CB 3.46Å; E87-S90 PolarHBondContact O-N 3.2Å; I88-S90 PolarHBondContact O-N 3.25Å
91	S	91	Very high	92.3	Very high	55 Å²	55	66.9 Å²	66.9	39%	0.385	35%	0.352	S	S	.	.	S	Bend	trans	-74	174.6	176.3	-63.2	0	0	0	0	112.2	E87 I88	E87-S91 PolarHBondContact O-N 3.05Å; E87-S91 VanDerWaalsContact O-N 3.09Å; E87-S91 PolarHBondContact O-OG 3.49Å; I88-S91 VanDerWaalsContact O-CB 3.25Å; I88-S91 WeakPolarHBondContact O-CB 3.35Å; I88-S91 PolarHBondContact O-N 3.2Å
92	S	92.1	Very high	92.3	Very high	52 Å²	52	69.1 Å²	69.1	36%	0.364	36%	0.355	S	S	.	.			trans	-63.6	149.3	174.9	83.9	0	0	0	0	110.7	K94 D95 I96	S92-K94 PolarHBondContact O-N 3.13Å; S92-K94 VanDerWaalsContact O-N 3.13Å; S92-D95 WeakPolarHBondContact CB-OD2 3.22Å; S92-D95 PolarHBondContact N-OD2 3.03Å; S92-D95 PolarHBondContact O-N 3.36Å; S92-D95 PolarHBondContact OG-N 3Å; S92-D95 PolarHBondContact OG-OD2 3.34Å; S92-I96 WeakPolarHBondContact O-CG1 3.39Å; S92-I96 PolarHBondContact O-N 3.39Å; S92-I96 VanDerWaalsContact O-N 3.09Å
93	T	90.1	Very high	92.4	Very high	26 Å²	26	63.8 Å²	63.8	16%	0.16	33%	0.33	C	S	.	.	H	α-helix	trans	-53.4	-35.2	174.9	-52.8	0	0	0	0	112.3	N42 W63 I96 L97	N42-T93 PolarHBondContact ND2-OG1 3.34Å; N42-T93 VanDerWaalsContact ND2-OG1 3.07Å; W63-T93 HydrophobicContact CH2-CG2 3.09Å; W63-T93 HydrophobicContact CZ2-CG2 3.63Å; W63-T93 HydrophobicContact CZ3-CG2 3.82Å; T93-I96 PolarHBondContact O-N 2.79Å; T93-L97 HydrophobicContact CG2-CD1 4.18Å; T93-L97 WeakPolarHBondContact O-CB 3.34Å; T93-L97 VanDerWaalsContact O-CG 3.3Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 3.32Å
94	K	91.5	Very high	92.5	Very high	143 Å²	143	62.3 Å²	62.3	62%	0.622	32%	0.316	S	S	*	.	H	α-helix	trans	-62.3	-44.2	177.1	-175.4	-176.4	175.3	-173.3	0	111.5	S92 L97 Q98	S92-K94 PolarHBondContact O-N 3.13Å; S92-K94 VanDerWaalsContact O-N 3.13Å; K94-L97 PolarHBondContact O-N 3.21Å; K94-Q98 WeakPolarHBondContact O-CG 3.48Å; K94-Q98 PolarHBondContact O-N 3.06Å
95	D	92.6	Very high	92.4	Very high	77 Å²	77	62 Å²	62	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-68.5	-40.6	-179.9	-54.8	-42.8	0	0	0	111.2	S92 L97 Q98 L99	S92-D95 WeakPolarHBondContact CB-OD2 3.22Å; S92-D95 PolarHBondContact N-OD2 3.03Å; S92-D95 PolarHBondContact O-N 3.36Å; S92-D95 PolarHBondContact OG-N 3Å; S92-D95 PolarHBondContact OG-OD2 3.34Å; D95-L97 VanDerWaalsContact C-N 3.29Å; D95-L97 PolarHBondContact O-N 3.36Å; D95-Q98 PolarHBondContact O-N 3.45Å; D95-L99 WeakPolarHBondContact O-CB 3.34Å; D95-L99 PolarHBondContact O-N 2.82Å
96	I	93	Very high	92.2	Very high	4 Å²	4	67 Å²	67	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-58.6	-44.5	175	-62.9	170.8	0	0	0	110.2	L56 I59 L60 I88 S92 T93 L99 A100	L56-I96 HydrophobicContact CD1-CG2 3.82Å; I59-I96 HydrophobicContact CD1-CD1 3.9Å; I59-I96 HydrophobicContact CG2-CD1 4.29Å; I59-I96 HydrophobicContact CG2-CG2 4.08Å; L60-I96 HydrophobicContact CD2-CG2 4.25Å; I88-I96 HydrophobicContact CG2-CG1 4.26Å; I88-I96 WeakPolarHBondContact O-CD1 3.44Å; I88-I96 WeakPolarHBondContact O-CG1 3.36Å; S92-I96 WeakPolarHBondContact O-CG1 3.39Å; S92-I96 PolarHBondContact O-N 3.39Å; S92-I96 VanDerWaalsContact O-N 3.09Å; T93-I96 PolarHBondContact O-N 2.79Å; I96-L99 PolarHBondContact O-N 2.87Å; I96-A100 VanDerWaalsContact O-CB 3.29Å; I96-A100 WeakPolarHBondContact O-CB 3.27Å; I96-A100 PolarHBondContact O-N 3.31Å
97	L	93.4	Very high	92	Very high	36 Å²	36	65.1 Å²	65.1	19%	0.188	35%	0.346	C	S	.	.	H	α-helix	trans	-69.4	-44.1	-179.4	-76.7	175.3	0	0	0	113.5	L60 W63 Y64 T93 K94 D95 L99 A100 E101	L60-L97 HydrophobicContact CD2-CD2 4.47Å; W63-L97 HydrophobicContact CB-CD2 4.16Å; W63-L97 HydrophobicContact CD2-CD1 3.74Å; W63-L97 HydrophobicContact CD2-CD2 3.56Å; W63-L97 HydrophobicContact CD2-CG 4.15Å; W63-L97 HydrophobicContact CE3-CD1 4.11Å; W63-L97 HydrophobicContact CE3-CD2 3.5Å; W63-L97 VanDerWaalsContact CE3-CD2 3.5Å; W63-L97 HydrophobicContact CE3-CG 4.11Å; W63-L97 HydrophobicContact CG-CD1 4.26Å; W63-L97 HydrophobicContact CG-CD2 3.82Å; W63-L97 HydrophobicContact CH2-CD1 4.21Å; W63-L97 HydrophobicContact CZ2-CD1 3.78Å; W63-L97 HydrophobicContact CZ3-CD1 4.31Å; W63-L97 HydrophobicContact CZ3-CD2 4.18Å; W63-L97 HydrophobicContact CZ3-CG 4.36Å; Y64-L97 HydrophobicContact CE2-CD2 4.29Å; T93-L97 HydrophobicContact CG2-CD1 4.18Å; T93-L97 WeakPolarHBondContact O-CB 3.34Å; T93-L97 VanDerWaalsContact O-CG 3.3Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 3.32Å; K94-L97 PolarHBondContact O-N 3.21Å; D95-L97 VanDerWaalsContact C-N 3.29Å; D95-L97 PolarHBondContact O-N 3.36Å; L97-L99 PolarHBondContact O-N 2.9Å; L97-A100 PolarHBondContact O-N 3.37Å; L97-E101 WeakPolarHBondContact O-CB 3.41Å; L97-E101 PolarHBondContact O-N 2.75Å
98	Q	94	Very high	91.5	Very high	109 Å²	109	70.5 Å²	70.5	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-59.2	-38.6	175.7	-75.5	-176.6	-27.3	0	0	111.4	K94 D95 K102	K94-Q98 WeakPolarHBondContact O-CG 3.48Å; K94-Q98 PolarHBondContact O-N 3.06Å; D95-Q98 PolarHBondContact O-N 3.45Å; Q98-K102 PolarHBondContact O-N 3.43Å
99	L	93.6	Very high	90.5	Very high	35 Å²	35	75.9 Å²	75.9	18%	0.183	39%	0.389	C	S	.	.	H	α-helix	trans	-71.4	-42.8	177.5	-173.4	56.4	0	0	0	112.1	M76 Y80 I88 D95 I96 L97 E101 K102 H103	M76-L99 HydrophobicContact CE-CB 4.43Å; M76-L99 HydrophobicContact CE-CD2 3.45Å; M76-L99 VanDerWaalsContact CE-CD2 3.45Å; M76-L99 HydrophobicContact CE-CG 3.69Å; Y80-L99 HydrophobicContact CE2-CD1 4.38Å; Y80-L99 HydrophobicContact CE2-CD2 3.94Å; Y80-L99 HydrophobicContact CE2-CG 4.43Å; Y80-L99 VanDerWaalsContact OH-CD1 3.3Å; Y80-L99 WeakPolarHBondContact OH-CD1 3.34Å; I88-L99 HydrophobicContact CD1-CD2 3.61Å; I88-L99 HydrophobicContact CG1-CD2 3.94Å; I88-L99 HydrophobicContact CG2-CD2 4.12Å; D95-L99 WeakPolarHBondContact O-CB 3.34Å; D95-L99 PolarHBondContact O-N 2.82Å; I96-L99 PolarHBondContact O-N 2.87Å; L97-L99 PolarHBondContact O-N 2.9Å; L99-E101 VanDerWaalsContact C-N 3.31Å; L99-E101 PolarHBondContact O-N 3.32Å; L99-K102 WeakPolarHBondContact O-CB 3.43Å; L99-K102 PolarHBondContact O-N 3.28Å; L99-H103 PolarHBondContact O-CD2 2.92Å; L99-H103 VanDerWaalsContact O-CD2 3.3Å; L99-H103 PolarHBondContact O-N 3.22Å
100	A	93.5	Very high	90.5	Very high	0 Å²	0	79 Å²	79	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-60.2	-40.1	175.1	0	0	0	0	0	112.5	L60 Y64 I72 I96 L97 K102 H103 F104	L60-A100 HydrophobicContact CD1-CB 4.35Å; L60-A100 HydrophobicContact CD2-CB 3.41Å; L60-A100 VanDerWaalsContact CD2-CB 3.41Å; Y64-A100 HydrophobicContact CE2-CB 4.24Å; I72-A100 HydrophobicContact CG2-CB 3.89Å; I96-A100 VanDerWaalsContact O-CB 3.29Å; I96-A100 WeakPolarHBondContact O-CB 3.27Å; I96-A100 PolarHBondContact O-N 3.31Å; L97-A100 PolarHBondContact O-N 3.37Å; A100-K102 VanDerWaalsContact C-N 3.35Å; A100-K102 PolarHBondContact O-N 3.22Å; A100-H103 PolarHBondContact O-N 3.19Å; A100-F104 WeakPolarHBondContact O-CB 3.44Å; A100-F104 PolarHBondContact O-N 3.14Å
101	E	93.5	Very high	90.5	Very high	125 Å²	125	78.4 Å²	78.4	58%	0.584	39%	0.392	S	S	*	.	H	α-helix	trans	-61.5	-42.1	177.3	-174.5	176.7	-169.6	0	0	111.7	L97 L99 H103 F104 A105	L97-E101 WeakPolarHBondContact O-CB 3.41Å; L97-E101 PolarHBondContact O-N 2.75Å; L99-E101 VanDerWaalsContact C-N 3.31Å; L99-E101 PolarHBondContact O-N 3.32Å; E101-H103 PolarHBondContact O-N 3.42Å; E101-F104 PolarHBondContact O-N 3.11Å; E101-A105 PolarHBondContact O-N 2.88Å
102	K	93.9	Very high	90.5	Very high	128 Å²	128	79.7 Å²	79.7	56%	0.557	39%	0.393	S	S	*	.	H	α-helix	trans	-58.4	-48.7	173.4	-178.6	-175.2	173.3	-173.9	0	111.6	Q98 L99 A100 F104 A105 D106	Q98-K102 PolarHBondContact O-N 3.43Å; L99-K102 WeakPolarHBondContact O-CB 3.43Å; L99-K102 PolarHBondContact O-N 3.28Å; A100-K102 VanDerWaalsContact C-N 3.35Å; A100-K102 PolarHBondContact O-N 3.22Å; K102-F104 VanDerWaalsContact C-N 3.35Å; K102-A105 PolarHBondContact O-N 3.27Å; K102-D106 PolarHBondContact O-N 2.99Å
103	H	92.7	Very high	90.4	Very high	12 Å²	12	81.3 Å²	81.3	6%	0.056	39%	0.394	C	S	.	.	H	α-helix	trans	-68.6	-33.3	178.9	-78.7	-76.5	0	0	0	113	I72 M76 T79 Y80 L99 A100 E101 D106 L107	I72-H103 HydrophobicContact CG2-CB 4.23Å; M76-H103 HydrophobicContact CG-CB 4.23Å; M76-H103 WeakPolarHBondContact CG-CD2 3.37Å; T79-H103 PolarHBondContact OG1-CE1 3.49Å; Y80-H103 AromaticContact CE2-NE2 3.41Å; Y80-H103 WeakPolarHBondContact CE2-NE2 3.44Å; L99-H103 PolarHBondContact O-CD2 2.92Å; L99-H103 VanDerWaalsContact O-CD2 3.3Å; L99-H103 PolarHBondContact O-N 3.22Å; A100-H103 PolarHBondContact O-N 3.19Å; E101-H103 PolarHBondContact O-N 3.42Å; H103-D106 PolarHBondContact O-N 3.2Å; H103-L107 WeakPolarHBondContact O-CG 3.45Å; H103-L107 PolarHBondContact O-N 3.11Å; H103-L107 VanDerWaalsContact O-N 3.14Å
104	F	92.3	Very high	90.4	Very high	68 Å²	68	84.8 Å²	84.8	30%	0.298	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-43.6	174.5	-179.6	-103.4	0	0	0	111.3	Y64 T68 I72 A100 E101 K102 D106 L107 I109	Y64-F104 HydrophobicContact CE1-CD2 4.33Å; Y64-F104 HydrophobicContact CE1-CG 4.28Å; T68-F104 HydrophobicContact CG2-CD2 3.58Å; T68-F104 HydrophobicContact CG2-CE2 3.45Å; T68-F104 VanDerWaalsContact CG2-CE2 3.45Å; I72-F104 HydrophobicContact CD1-CB 3.91Å; I72-F104 HydrophobicContact CD1-CD2 3.93Å; I72-F104 HydrophobicContact CD1-CG 4.31Å; I72-F104 HydrophobicContact CG1-CB 4.16Å; I72-F104 HydrophobicContact CG1-CD2 4.27Å; A100-F104 WeakPolarHBondContact O-CB 3.44Å; A100-F104 PolarHBondContact O-N 3.14Å; E101-F104 PolarHBondContact O-N 3.11Å; K102-F104 VanDerWaalsContact C-N 3.35Å; F104-D106 VanDerWaalsContact C-N 3.28Å; F104-D106 PolarHBondContact O-N 3.16Å; F104-L107 PolarHBondContact O-N 3.42Å; F104-I109 HydrophobicContact CD2-CD1 4.12Å; F104-I109 HydrophobicContact CD2-CG1 4.12Å; F104-I109 HydrophobicContact CE2-CD1 3.86Å; F104-I109 HydrophobicContact CE2-CG1 3.69Å; F104-I109 HydrophobicContact CZ-CG1 4.46Å
105	A	92.1	Very high	90.3	Very high	73 Å²	73	80.9 Å²	80.9	60%	0.603	40%	0.395	S	S	*	.	H	α-helix	trans	-61.2	-36.3	175.7	0	0	0	0	0	112.6	E101 K102	E101-A105 PolarHBondContact O-N 2.88Å; K102-A105 PolarHBondContact O-N 3.27Å
106	D	90.1	Very high	90.2	Very high	114 Å²	114	81.1 Å²	81.1	61%	0.61	39%	0.394	S	S	*	.	H	α-helix	trans	-71.5	-28.4	177.7	-70.7	-26.3	0	0	0	113	K102 H103 F104 R108	K102-D106 PolarHBondContact O-N 2.99Å; H103-D106 PolarHBondContact O-N 3.2Å; F104-D106 VanDerWaalsContact C-N 3.28Å; F104-D106 PolarHBondContact O-N 3.16Å; D106-R108 VanDerWaalsContact C-N 3.33Å; D106-R108 PolarHBondContact O-N 3.2Å
107	L	86.4	Confident	89.9	Confident	59 Å²	59	87.1 Å²	87.1	31%	0.309	42%	0.422	S	S	.	.	H	α-helix	trans	-72	-19.8	-176.8	-79.3	169.9	0	0	0	114.4	A71 I72 A75 H103 F104 I109	A71-L107 HydrophobicContact CB-CD1 3.95Å; I72-L107 HydrophobicContact CG1-CD1 4.05Å; A75-L107 HydrophobicContact CB-CD1 4.28Å; A75-L107 HydrophobicContact CB-CD2 4.13Å; A75-L107 HydrophobicContact CB-CG 4.32Å; H103-L107 WeakPolarHBondContact O-CG 3.45Å; H103-L107 PolarHBondContact O-N 3.11Å; H103-L107 VanDerWaalsContact O-N 3.14Å; F104-L107 PolarHBondContact O-N 3.42Å; L107-I109 HydrophobicContact CB-CD1 4.31Å; L107-I109 HydrophobicContact CB-CG1 3.97Å; L107-I109 HydrophobicContact CB-CG2 4.37Å; L107-I109 HydrophobicContact CD1-CD1 4.22Å; L107-I109 PolarHBondContact O-N 3.4Å
108	R	81.3	Confident	89.7	Confident	237 Å²	237	91.3 Å²	91.3	89%	0.894	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	37.1	-177.5	-57.1	-174.4	176.4	-171.1	-1	113.9	D106	D106-R108 VanDerWaalsContact C-N 3.33Å; D106-R108 PolarHBondContact O-N 3.2Å
109	I	72.5	Confident	89.3	Confident	136 Å²	136	89.7 Å²	89.7	70%	0.697	44%	0.436	S	S	*	.			trans	-99	0	174.7	58.1	171.9	0	0	0	112.1	T68 A71 F104 L107	T68-I109 HydrophobicContact CG2-CD1 4.08Å; A71-I109 HydrophobicContact CB-CD1 4.14Å; F104-I109 HydrophobicContact CD2-CD1 4.12Å; F104-I109 HydrophobicContact CD2-CG1 4.12Å; F104-I109 HydrophobicContact CE2-CD1 3.86Å; F104-I109 HydrophobicContact CE2-CG1 3.69Å; F104-I109 HydrophobicContact CZ-CG1 4.46Å; L107-I109 HydrophobicContact CB-CD1 4.31Å; L107-I109 HydrophobicContact CB-CG1 3.97Å; L107-I109 HydrophobicContact CB-CG2 4.37Å; L107-I109 HydrophobicContact CD1-CD1 4.22Å; L107-I109 PolarHBondContact O-N 3.4Å

Retrieved 109 of 109 residues in 120.3 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).