A0A077Z2A8_TRITR Loading...

Homeobox domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2A8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	37.1	Very low	222 Å²	222	150 Å²	150	100%	1.094	80%	0.795	S	S	*	*				0	69.6	0	-64.8	-85.5	-148.5	0	0	107.2
2	L	30.2	Very low	36.7	Very low	139 Å²	139	152.7 Å²	152.7	73%	0.728	80%	0.8	S	S	*	*				64.5	69.1	105.1	-80.7	152.3	0	0	0	112.1	L4	L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 HydrophobicContact CB-CG 4.43Å; L2-L4 WeakPolarHBondContact O-CD1 3.35Å; L2-L4 VanDerWaalsContact O-CG 3.3Å; L2-L4 WeakPolarHBondContact O-CG 3.37Å
3	F	38.8	Very low	36.3	Very low	211 Å²	211	146.8 Å²	146.8	93%	0.925	80%	0.798	S	S	*	*			trans	-87.2	78.3	144.7	-81.9	-89.1	0	0	0	105
4	L	35.7	Very low	36.4	Very low	115 Å²	115	146.5 Å²	146.5	60%	0.602	80%	0.803	S	S	*	*				45.1	98.8	81.7	-73.8	170	0	0	0	112.3	L2	L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 HydrophobicContact CB-CG 4.43Å; L2-L4 WeakPolarHBondContact O-CD1 3.35Å; L2-L4 VanDerWaalsContact O-CG 3.3Å; L2-L4 WeakPolarHBondContact O-CG 3.37Å
5	L	33	Very low	36.6	Very low	148 Å²	148	144.7 Å²	144.7	78%	0.775	81%	0.805	S	S	*	*				44.3	89.4	125.6	-66.2	166.8	0	0	0	115.7
6	I	44.4	Very low	36.5	Very low	159 Å²	159	143 Å²	143	82%	0.815	81%	0.806	S	S	*	*			trans	-129.7	76.6	141.6	-55.6	177	0	0	0	106.5	D8	I6-D8 HydrophobicContact CG2-CB 4.09Å
7	N	40.7	Very low	37.4	Very low	164 Å²	164	145.5 Å²	145.5	88%	0.877	81%	0.813	S	S	*	*			trans	-83.9	97.4	146.2	-127.5	0.9	0	0	0	103.8
8	D	40.1	Very low	37.3	Very low	120 Å²	120	145.5 Å²	145.5	64%	0.642	81%	0.811	S	S	*	*			trans	-151.2	103.4	166.9	-159.1	-126.1	0	0	0	106.9	I6	I6-D8 HydrophobicContact CG2-CB 4.09Å
9	S	38	Very low	37.6	Very low	98 Å²	98	143.4 Å²	143.4	69%	0.685	81%	0.807	S	S	*	*				54.4	104.4	102.3	-43.8	0	0	0	0	111.8
10	S	36.3	Very low	38.3	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	80%	0.801	S	S	*	*				155.1	96.9	129.4	-165.9	0	0	0	0	109.3
11	I	34.2	Very low	38.6	Very low	169 Å²	169	141.4 Å²	141.4	87%	0.867	80%	0.799	S	S	*	*			trans	-73.8	115.2	163.2	-69	-172.5	0	0	0	106.9
12	Q	32.5	Very low	39	Very low	182 Å²	182	135.8 Å²	135.8	85%	0.85	78%	0.782	S	S	*	*			trans	-142.8	119.9	154.5	-71.1	-168	-17.5	0	0	109.4
13	G	31.2	Very low	40.3	Very low	76 Å²	76	136.4 Å²	136.4	78%	0.784	79%	0.785	S	S	*	*			trans	106.4	54.8	148.4	0	0	0	0	0	118.5
14	V	38.5	Very low	41	Very low	143 Å²	143	134.6 Å²	134.6	87%	0.867	78%	0.779	S	S	*	*			trans	-125.3	136.2	147.6	-56.8	0	0	0	0	105
15	S	39.3	Very low	42.3	Very low	119 Å²	119	137.9 Å²	137.9	83%	0.832	79%	0.793	S	S	*	*			cis	-166.7	128.9	23.1	42.6	0	0	0	0	106.3
16	S	35.2	Very low	42.9	Very low	118 Å²	118	136.9 Å²	136.9	83%	0.825	79%	0.789	S	S	*	*			trans	-120.1	96.6	165.5	-177.1	0	0	0	0	107.3
17	M	50.9	Low	43.1	Very low	185 Å²	185	134.1 Å²	134.1	91%	0.911	78%	0.783	S	S	*	*			trans	-162.8	88.8	147	-136.6	93.9	99.8	0	0	107.2
18	D	36.7	Very low	43.9	Very low	146 Å²	146	131.7 Å²	131.7	78%	0.781	77%	0.774	S	S	*	*			trans	-80.1	158.8	159.1	-163.2	-78.8	0	0	0	108.4
19	S	42.8	Very low	44.4	Very low	106 Å²	106	133.8 Å²	133.8	74%	0.741	78%	0.78	S	S	*	*			trans	78.1	143.5	173.6	-55	0	0	0	0	117.3
20	C	50.2	Low	44.9	Very low	102 Å²	102	137.8 Å²	137.8	69%	0.689	79%	0.785	S	S	*	*			cis	-174	139.7	-15.3	175.2	0	0	0	0	103.2
21	D	45.5	Very low	45.4	Very low	142 Å²	142	144.9 Å²	144.9	76%	0.759	80%	0.796	S	S	*	*				169.7	129.3	115.7	-112.9	-74.9	0	0	0	113
22	S	44	Very low	46.4	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	79%	0.79	S	S	*	*			trans	-73	121.8	175.6	-74.6	0	0	0	0	110.1
23	I	57.6	Low	47	Very low	152 Å²	152	139 Å²	139	78%	0.779	79%	0.788	S	S	*	*			trans	-97.4	102.2	159.5	-62.2	-179.7	0	0	0	108.2	M25	I23-M25 HydrophobicContact CG2-CG 4.36Å
24	Q	55.2	Low	48	Very low	173 Å²	173	143.5 Å²	143.5	81%	0.808	79%	0.792	S	S	*	*			trans	-79.5	124.7	168.4	-161.1	168	-76.3	0	0	107.9
25	M	62.3	Low	48.1	Very low	183 Å²	183	141.9 Å²	141.9	90%	0.901	79%	0.785	S	S	*	*			trans	-116.9	113.1	163.3	-74.7	-159.9	153.3	0	0	108.3	I23	I23-M25 HydrophobicContact CG2-CG 4.36Å
26	D	44.7	Very low	48.3	Very low	128 Å²	128	144.1 Å²	144.1	68%	0.684	79%	0.787	S	S	*	*			trans	-110	140.4	178.6	-171.1	-89.9	0	0	0	109.1
27	S	50	Low	48.8	Very low	100 Å²	100	148 Å²	148	70%	0.699	79%	0.792	S	S	*	*			trans	63.2	145.7	160	-69.6	0	0	0	0	118.1
28	V	55.8	Low	48.5	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.685	78%	0.784	S	S	*	*			cis	-173.8	137.1	5.9	127.1	0	0	0	0	101.3
29	E	50.9	Low	49.3	Very low	165 Å²	165	142.8 Å²	142.8	77%	0.771	78%	0.782	S	S	*	*				170.1	119.8	83.1	-159.1	155.6	98.4	0	0	109.5
30	K	48.4	Very low	49.8	Very low	181 Å²	181	142.8 Å²	142.8	79%	0.787	78%	0.78	S	S	*	*				42.5	109.4	125.9	-132.9	174.6	-166	176	0	117.8
31	R	46.9	Very low	50	Low	254 Å²	254	144.3 Å²	144.3	96%	0.958	79%	0.785	S	S	*	*			trans	-157.5	125.3	131.3	-104.8	164.4	-152.7	-145.8	7.4	110.2
32	S	55.7	Low	50.8	Low	105 Å²	105	144.6 Å²	144.6	73%	0.734	79%	0.792	S	S	*	*			trans	-69.7	157.3	-165.7	-49.8	0	0	0	0	114.8
33	P	45.5	Very low	51.2	Low	124 Å²	124	144.2 Å²	144.2	81%	0.805	80%	0.796	S	S	*	*			trans	-90.1	145.1	173.1	31.6	-24.4	0	0	0	112
34	L	51.3	Low	51.1	Low	169 Å²	169	145 Å²	145	89%	0.885	80%	0.801	S	S	*	*			trans	-126.1	145.3	170.9	-72.1	179	0	0	0	112.4
35	P	42.2	Very low	50.8	Low	110 Å²	110	144.3 Å²	144.3	71%	0.714	80%	0.803	S	S	*	*			trans	-105.4	156.9	-169	26.5	-7.5	0	0	0	114.8
36	L	42.2	Very low	50	Low	166 Å²	166	138.4 Å²	138.4	87%	0.869	79%	0.789	S	S	*	*			trans	44.3	111.6	148.3	-71	161.6	0	0	0	119.6
37	Q	46	Very low	50.3	Low	199 Å²	199	142.5 Å²	142.5	93%	0.93	80%	0.801	S	S	*	*			trans	-158.9	125.4	137	-112.2	166.7	39.5	0	0	110.8
38	S	45.1	Very low	50.3	Low	107 Å²	107	146.9 Å²	146.9	75%	0.748	81%	0.811	S	S	*	*			trans	-102.9	149.1	153.1	57.5	0	0	0	0	106.1
39	P	53.3	Low	49.8	Very low	115 Å²	115	146.3 Å²	146.3	75%	0.747	82%	0.817	S	S	*	*				-156.5	-151.4	81.5	36	-10.1	0	0	0	112.2
40	P	52.1	Low	50	Low	106 Å²	106	146.6 Å²	146.6	69%	0.688	82%	0.824	S	S	*	*				-123.9	171.4	-76	37	-19.4	0	0	0	114.5
41	V	55.7	Low	50.1	Low	133 Å²	133	143.3 Å²	143.3	81%	0.806	82%	0.823	S	S	*	*			trans	49	107	153	-61.8	0	0	0	0	121
42	V	61.3	Low	50.5	Low	149 Å²	149	140.2 Å²	140.2	90%	0.903	82%	0.82	S	S	*	*			trans	-135.5	121.3	143.3	-179.1	0	0	0	0	108.2
43	A	52.9	Low	50.6	Low	97 Å²	97	145.1 Å²	145.1	80%	0.802	83%	0.828	S	S	*	*			trans	-63.1	133.2	175	0	0	0	0	0	110.8
44	N	56.4	Low	51.3	Low	167 Å²	167	148.7 Å²	148.7	89%	0.893	83%	0.83	S	S	*	*			trans	-139.7	117.3	156	-154.7	15.4	0	0	0	109.4
45	D	48.9	Very low	51.8	Low	159 Å²	159	151.6 Å²	151.6	85%	0.85	83%	0.83	S	S	*	*			trans	-77.3	146.9	-178.3	-137.2	-70.3	0	0	0	110.3
46	G	44.1	Very low	53	Low	60 Å²	60	158.2 Å²	158.2	62%	0.619	84%	0.84	S	S	*	*			trans	82.7	92.3	163.3	0	0	0	0	0	118.2
47	K	51.2	Low	54.3	Low	213 Å²	213	159.7 Å²	159.7	93%	0.926	84%	0.84	S	S	*	*				179.8	111.2	126	-94.7	164.2	-164.2	-168.6	0	110.7
48	Q	49.7	Very low	55.4	Low	193 Å²	193	161 Å²	161	90%	0.902	84%	0.836	S	S	*	*			trans	-65.6	130.4	-173.5	-66.2	169	-23	0	0	113.2
49	A	45.7	Very low	56.9	Low	100 Å²	100	162 Å²	162	83%	0.826	84%	0.838	S	S	*	*			trans	41.3	82.7	140.3	0	0	0	0	0	118.9
50	L	55	Low	57.9	Low	172 Å²	172	167.2 Å²	167.2	90%	0.901	84%	0.842	S	S	*	*			trans	-148.6	55.2	164.5	-153.7	92.1	0	0	0	113.5
51	S	50.7	Low	59.1	Low	111 Å²	111	164.7 Å²	164.7	78%	0.776	83%	0.825	S	S	*	*			trans	-157.9	33.1	178.6	65.3	0	0	0	0	118.3
52	E	56.5	Low	60.6	Low	190 Å²	190	162.6 Å²	162.6	89%	0.888	82%	0.822	S	S	*	*			trans	-117.2	4.9	-179.8	-74.6	178.2	161.4	0	0	116.7	K54	E52-K54 PolarHBondContact O-N 3.09Å; E52-K54 VanDerWaalsContact O-N 3.09Å
53	K	56.2	Low	61.8	Low	207 Å²	207	158.6 Å²	158.6	90%	0.9	79%	0.792	S	S	*	*			trans	-86	49.8	168.3	-77.3	174.6	179.2	169.5	0	112.3	R55	K53-R55 VanDerWaalsContact C-N 3.31Å; K53-R55 PolarHBondContact O-N 2.95Å
54	K	60.5	Low	63.8	Low	199 Å²	199	157.5 Å²	157.5	87%	0.865	78%	0.776	S	S	*	*			trans	-75	87.7	169.4	-159.6	171.2	-173.8	174.1	0	108.2	E52 R56	E52-K54 PolarHBondContact O-N 3.09Å; E52-K54 VanDerWaalsContact O-N 3.09Å; K54-R56 PolarHBondContact O-N 2.77Å; K54-R56 VanDerWaalsContact O-N 3.07Å
55	R	61.2	Low	65.6	Low	231 Å²	231	154.6 Å²	154.6	87%	0.872	76%	0.764	S	S	*	*			trans	-39	114.9	178.2	-63.1	173.1	86.4	-174.6	7	109.8	K53 K57	K53-R55 VanDerWaalsContact C-N 3.31Å; K53-R55 PolarHBondContact O-N 2.95Å; R55-K57 PolarHBondContact O-N 3.12Å
56	R	67.4	Low	67.9	Low	249 Å²	249	152.7 Å²	152.7	94%	0.94	75%	0.748	S	S	*	*			trans	-55.3	102.1	173.2	-68.2	-179.6	178.6	176.4	-0.8	107.8	K54 R58	K54-R56 PolarHBondContact O-N 2.77Å; K54-R56 VanDerWaalsContact O-N 3.07Å; R56-R58 PolarHBondContact O-N 2.87Å
57	K	70.7	Confident	70.3	Confident	197 Å²	197	151 Å²	151	86%	0.857	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-61.7	126.6	176	-73.4	177.9	179.4	176.7	0	107.3	R55 V59	R55-K57 PolarHBondContact O-N 3.12Å; K57-V59 PolarHBondContact O-N 3.07Å
58	R	68.8	Low	72.5	Confident	226 Å²	226	144.3 Å²	144.3	85%	0.853	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-58.9	127.7	178	-174.7	-176.3	-72.9	-179.6	-4.2	108.6	R56 R60	R56-R58 PolarHBondContact O-N 2.87Å; R58-R60 PolarHBondContact O-N 3.1Å
59	V	77.4	Confident	74.7	Confident	128 Å²	128	140.8 Å²	140.8	78%	0.776	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-58.4	129.5	175.6	178.7	0	0	0	0	109	K57 T61	K57-V59 PolarHBondContact O-N 3.07Å; V59-T61 PolarHBondContact O-N 2.87Å
60	R	74.6	Confident	77.1	Confident	225 Å²	225	137.4 Å²	137.4	85%	0.849	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-68.8	126.2	174.9	-176.7	175.6	-179.6	166.5	-1.3	108.2	R58	R58-R60 PolarHBondContact O-N 3.1Å
61	T	76.7	Confident	79	Confident	53 Å²	53	129.2 Å²	129.2	33%	0.325	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-76.8	128.1	172.6	-53.9	0	0	0	0	108.7	V59 F63 L95 K99	V59-T61 PolarHBondContact O-N 2.87Å; T61-F63 HydrophobicContact CG2-CD1 4.49Å; T61-F63 HydrophobicContact CG2-CE1 4.3Å; T61-L95 HydrophobicContact CG2-CD2 4.49Å; T61-K99 WeakPolarHBondContact OG1-CE 3.24Å; T61-K99 PolarHBondContact OG1-NZ 2.9Å
62	A	87.6	Confident	81.2	Confident	89 Å²	89	127.3 Å²	127.3	74%	0.736	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-93.6	132.3	163.8	0	0	0	0	0	108
63	F	86.3	Confident	83	Confident	64 Å²	64	123.4 Å²	123.4	28%	0.281	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-88.4	140	175.3	-60.3	-67.7	0	0	0	109.2	T61 Q67 L68 L95 W103	T61-F63 HydrophobicContact CG2-CD1 4.49Å; T61-F63 HydrophobicContact CG2-CE1 4.3Å; F63-Q67 VanDerWaalsContact CA-OE1 3.27Å; F63-Q67 HydrophobicContact CB-CB 4.39Å; F63-L68 HydrophobicContact CB-CD2 3.75Å; F63-L68 HydrophobicContact CB-CG 3.87Å; F63-L68 HydrophobicContact CD2-CD2 4.21Å; F63-L68 HydrophobicContact CG-CD2 4.22Å; F63-L95 HydrophobicContact CD1-CD1 3.62Å; F63-L95 HydrophobicContact CD1-CD2 4.01Å; F63-L95 HydrophobicContact CD1-CG 4.48Å; F63-L95 HydrophobicContact CE1-CD1 3.51Å; F63-L95 HydrophobicContact CE1-CD2 3.94Å; F63-L95 HydrophobicContact CE1-CG 4.37Å; F63-W103 AromaticContact CD2-CD1 3.98Å; F63-W103 AromaticContact CE2-CD1 3.67Å; F63-W103 HydrophobicContact CZ-CB 4.33Å
64	T	94.3	Very high	84.9	Confident	75 Å²	75	114 Å²	114	46%	0.46	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-74.7	163.8	171.6	69.8	0	0	0	0	110.5	F66 Q67 L68	T64-F66 VanDerWaalsContact C-N 3.35Å; T64-F66 PolarHBondContact O-N 2.8Å; T64-Q67 PolarHBondContact O-N 3.28Å; T64-Q67 VanDerWaalsContact OG1-CG 3.24Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.42Å; T64-Q67 PolarHBondContact OG1-N 3.43Å; T64-L68 WeakPolarHBondContact O-CG 3.36Å; T64-L68 PolarHBondContact O-N 3.46Å
65	T	94.5	Very high	86.4	Confident	105 Å²	105	104.7 Å²	104.7	64%	0.644	48%	0.484	S	S	*	.	H	α-helix	trans	-57.5	-47.8	177.3	-18.2	0	0	0	0	111.4	Q67 L68 E69	T65-Q67 VanDerWaalsContact C-N 3.32Å; T65-Q67 PolarHBondContact O-N 2.9Å; T65-L68 WeakPolarHBondContact O-CB 3.27Å; T65-L68 PolarHBondContact O-N 3.43Å; T65-L68 VanDerWaalsContact O-N 3.09Å; T65-E69 WeakPolarHBondContact O-CG 3.2Å; T65-E69 PolarHBondContact O-N 3.44Å
66	F	96.4	Very high	88	Confident	119 Å²	119	97.7 Å²	97.7	52%	0.522	48%	0.475	S	S	.	.	H	α-helix	trans	-55	-44	174.9	171.6	-102.8	0	0	0	112.9	T64 L68 E69 E70	T64-F66 VanDerWaalsContact C-N 3.35Å; T64-F66 PolarHBondContact O-N 2.8Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.35Å; F66-E69 PolarHBondContact O-N 3.3Å; F66-E70 HydrophobicContact CE1-CG 4.42Å; F66-E70 HydrophobicContact CE2-CG 4.03Å; F66-E70 HydrophobicContact CZ-CG 3.96Å; F66-E70 PolarHBondContact O-N 3.25Å; F66-E70 VanDerWaalsContact O-N 3.08Å
67	Q	95.8	Very high	89.3	Confident	25 Å²	25	93 Å²	93	12%	0.117	46%	0.461	C	S	.	.	H	α-helix	trans	-63.8	-41.3	178.1	-71.1	171.8	-17.2	0	0	111.5	F63 T64 T65 L71 T93 L95	F63-Q67 VanDerWaalsContact CA-OE1 3.27Å; F63-Q67 HydrophobicContact CB-CB 4.39Å; T64-Q67 PolarHBondContact O-N 3.28Å; T64-Q67 VanDerWaalsContact OG1-CG 3.24Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.42Å; T64-Q67 PolarHBondContact OG1-N 3.43Å; T65-Q67 VanDerWaalsContact C-N 3.32Å; T65-Q67 PolarHBondContact O-N 2.9Å; Q67-L71 WeakPolarHBondContact O-CB 3.09Å; Q67-L71 WeakPolarHBondContact O-CD1 2.95Å; Q67-L71 WeakPolarHBondContact O-CG 3.33Å; Q67-L71 PolarHBondContact O-N 3.11Å; Q67-T93 HydrophobicContact CB-CG2 4.49Å; Q67-T93 WeakPolarHBondContact CG-O 3.38Å; Q67-T93 PolarHBondContact NE2-O 3.02Å; Q67-L95 HydrophobicContact CB-CD1 4.49Å; Q67-L95 HydrophobicContact CG-CD1 4.49Å
68	L	95.6	Very high	90.3	Very high	72 Å²	72	86.5 Å²	86.5	38%	0.377	44%	0.438	S	S	.	.	H	α-helix	trans	-65.8	-41.3	178.1	-67.8	173.5	0	0	0	111.8	F63 T64 T65 F66 L71 E72	F63-L68 HydrophobicContact CB-CD2 3.75Å; F63-L68 HydrophobicContact CB-CG 3.87Å; F63-L68 HydrophobicContact CD2-CD2 4.21Å; F63-L68 HydrophobicContact CG-CD2 4.22Å; T64-L68 WeakPolarHBondContact O-CG 3.36Å; T64-L68 PolarHBondContact O-N 3.46Å; T65-L68 WeakPolarHBondContact O-CB 3.27Å; T65-L68 PolarHBondContact O-N 3.43Å; T65-L68 VanDerWaalsContact O-N 3.09Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.35Å; L68-L71 PolarHBondContact O-N 2.77Å; L68-E72 VanDerWaalsContact O-CB 3.3Å; L68-E72 WeakPolarHBondContact O-CB 3.46Å; L68-E72 PolarHBondContact O-N 3.25Å
69	E	96.3	Very high	91.5	Very high	119 Å²	119	78.6 Å²	78.6	56%	0.556	41%	0.411	S	S	*	.	H	α-helix	trans	-60.6	-48	176.8	-72.7	167.8	-164.8	0	0	111.6	T65 F66 L71 E72 R73	T65-E69 WeakPolarHBondContact O-CG 3.2Å; T65-E69 PolarHBondContact O-N 3.44Å; F66-E69 PolarHBondContact O-N 3.3Å; E69-L71 PolarHBondContact O-N 3.18Å; E69-E72 PolarHBondContact O-N 2.91Å; E69-R73 VanDerWaalsContact O-CB 3.27Å; E69-R73 WeakPolarHBondContact O-CB 3.26Å; E69-R73 PolarHBondContact O-N 3.28Å
70	E	96.5	Very high	92.3	Very high	30 Å²	30	79.9 Å²	79.9	14%	0.14	40%	0.403	C	S	.	.	H	α-helix	trans	-63.7	-40.7	177.5	-78.9	-65.5	100.1	0	0	112.4	F66 R73 G74 T93	F66-E70 HydrophobicContact CE1-CG 4.42Å; F66-E70 HydrophobicContact CE2-CG 4.03Å; F66-E70 HydrophobicContact CZ-CG 3.96Å; F66-E70 PolarHBondContact O-N 3.25Å; F66-E70 VanDerWaalsContact O-N 3.08Å; E70-R73 VanDerWaalsContact CD-NH2 3.33Å; E70-R73 PolarHBondContact O-N 3.17Å; E70-R73 IonicContact OE1-CZ 2.87Å; E70-R73 VanDerWaalsContact OE1-CZ 3.28Å; E70-R73 IonicContact OE1-NE 3.31Å; E70-R73 PolarHBondContact OE1-NE 3.32Å; E70-R73 IonicContact OE1-NH2 3.07Å; E70-R73 PolarHBondContact OE1-NH2 2.69Å; E70-R73 VanDerWaalsContact OE1-NH2 3.12Å; E70-R73 IonicContact OE2-CZ 3.28Å; E70-R73 IonicContact OE2-NE 2.83Å; E70-R73 IonicContact OE2-NH2 2.8Å; E70-R73 PolarHBondContact OE2-NH2 3.14Å; E70-G74 PolarHBondContact O-N 3.45Å; E70-T93 HydrophobicContact CB-CG2 3.74Å
71	L	95.5	Very high	93.1	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-65.8	-42.5	176.7	-72.8	166.9	0	0	0	112	Q67 L68 E69 G74 F75 T93 L95 V100 W103 F104	Q67-L71 WeakPolarHBondContact O-CB 3.09Å; Q67-L71 WeakPolarHBondContact O-CD1 2.95Å; Q67-L71 WeakPolarHBondContact O-CG 3.33Å; Q67-L71 PolarHBondContact O-N 3.11Å; L68-L71 PolarHBondContact O-N 2.77Å; E69-L71 PolarHBondContact O-N 3.18Å; L71-G74 PolarHBondContact O-N 2.85Å; L71-F75 WeakPolarHBondContact O-CB 3.4Å; L71-F75 PolarHBondContact O-N 3.35Å; L71-T93 HydrophobicContact CG-CG2 4.36Å; L71-L95 HydrophobicContact CD1-CD1 4.15Å; L71-V100 HydrophobicContact CD2-CB 4.46Å; L71-V100 HydrophobicContact CD2-CG1 3.92Å; L71-V100 HydrophobicContact CD2-CG2 4.23Å; L71-W103 VanDerWaalsContact C-CH2 3.49Å; L71-W103 HydrophobicContact CB-CD2 3.89Å; L71-W103 HydrophobicContact CB-CE3 3.88Å; L71-W103 HydrophobicContact CB-CH2 3.67Å; L71-W103 HydrophobicContact CB-CZ2 3.63Å; L71-W103 HydrophobicContact CB-CZ3 3.78Å; L71-W103 HydrophobicContact CD1-CB 4.44Å; L71-W103 HydrophobicContact CD1-CD2 3.84Å; L71-W103 HydrophobicContact CD1-CE3 4.46Å; L71-W103 HydrophobicContact CD1-CG 3.78Å; L71-W103 HydrophobicContact CD2-CD2 4.31Å; L71-W103 HydrophobicContact CD2-CE3 4.14Å; L71-W103 HydrophobicContact CG-CD2 4.24Å; L71-W103 HydrophobicContact CG-CE3 4.39Å; L71-W103 WeakPolarHBondContact O-CH2 3.42Å; L71-F104 HydrophobicContact CD2-CE2 4.1Å
72	E	95.5	Very high	94	Very high	70 Å²	70	71.6 Å²	71.6	33%	0.327	37%	0.374	S	S	.	.	H	α-helix	trans	-68.6	-37.9	177.3	-163.9	65.3	-151.1	0	0	111.4	L68 E69 G74 F75 A76 W103 R107	L68-E72 VanDerWaalsContact O-CB 3.3Å; L68-E72 WeakPolarHBondContact O-CB 3.46Å; L68-E72 PolarHBondContact O-N 3.25Å; E69-E72 PolarHBondContact O-N 2.91Å; E72-G74 VanDerWaalsContact C-N 3.3Å; E72-G74 PolarHBondContact O-N 3.16Å; E72-F75 WeakPolarHBondContact O-CB 3.27Å; E72-F75 PolarHBondContact O-N 3.12Å; E72-F75 VanDerWaalsContact O-N 3.13Å; E72-A76 PolarHBondContact O-N 3.37Å; E72-W103 WeakPolarHBondContact OE2-CH2 3.47Å; E72-R107 IonicContact OE1-CZ 3.65Å; E72-R107 VanDerWaalsContact OE1-CZ 3.3Å; E72-R107 IonicContact OE1-NE 3.81Å; E72-R107 PolarHBondContact OE1-NE 3.38Å; E72-R107 IonicContact OE1-NH2 3.75Å; E72-R107 PolarHBondContact OE1-NH2 2.93Å; E72-R107 WeakPolarHBondContact OE2-CD 3.22Å; E72-R107 IonicContact OE2-CZ 3.75Å; E72-R107 IonicContact OE2-NE 3.3Å; E72-R107 PolarHBondContact OE2-NE 3.19Å; E72-R107 IonicContact OE2-NH2 2.69Å
73	R	95.6	Very high	94.3	Very high	108 Å²	108	70.1 Å²	70.1	41%	0.408	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-40.4	171.4	-173.6	177.8	72.4	114.8	-3.3	111.7	E69 E70	E69-R73 VanDerWaalsContact O-CB 3.27Å; E69-R73 WeakPolarHBondContact O-CB 3.26Å; E69-R73 PolarHBondContact O-N 3.28Å; E70-R73 VanDerWaalsContact CD-NH2 3.33Å; E70-R73 PolarHBondContact O-N 3.17Å; E70-R73 IonicContact OE1-CZ 2.87Å; E70-R73 VanDerWaalsContact OE1-CZ 3.28Å; E70-R73 IonicContact OE1-NE 3.31Å; E70-R73 PolarHBondContact OE1-NE 3.32Å; E70-R73 IonicContact OE1-NH2 3.07Å; E70-R73 PolarHBondContact OE1-NH2 2.69Å; E70-R73 VanDerWaalsContact OE1-NH2 3.12Å; E70-R73 IonicContact OE2-CZ 3.28Å; E70-R73 IonicContact OE2-NE 2.83Å; E70-R73 IonicContact OE2-NH2 2.8Å; E70-R73 PolarHBondContact OE2-NH2 3.14Å
74	G	94.8	Very high	94.7	Very high	10 Å²	10	74.6 Å²	74.6	10%	0.103	38%	0.375	C	S	.	.	H	α-helix	trans	-64.1	-43.9	171.7	0	0	0	0	0	112.3	E70 L71 E72 A76 K77 T78	E70-G74 PolarHBondContact O-N 3.45Å; L71-G74 PolarHBondContact O-N 2.85Å; E72-G74 VanDerWaalsContact C-N 3.3Å; E72-G74 PolarHBondContact O-N 3.16Å; G74-A76 VanDerWaalsContact C-N 3.33Å; G74-A76 PolarHBondContact O-N 3.18Å; G74-K77 WeakPolarHBondContact O-CB 3.46Å; G74-K77 PolarHBondContact O-N 2.78Å; G74-K77 VanDerWaalsContact O-N 3.14Å; G74-T78 PolarHBondContact O-N 3.25Å; G74-T78 VanDerWaalsContact O-N 3.09Å
75	F	93.7	Very high	94.8	Very high	4 Å²	4	73 Å²	73	2%	0.018	37%	0.369	C	S	.	.	H	α-helix	trans	-61	-39.9	178.4	-169	-101.5	0	0	0	112.7	L71 E72 K77 T78 H79 W103 F104 R107 R108 W111	L71-F75 WeakPolarHBondContact O-CB 3.4Å; L71-F75 PolarHBondContact O-N 3.35Å; E72-F75 WeakPolarHBondContact O-CB 3.27Å; E72-F75 PolarHBondContact O-N 3.12Å; E72-F75 VanDerWaalsContact O-N 3.13Å; F75-K77 VanDerWaalsContact C-N 3.26Å; F75-K77 PolarHBondContact O-N 3.36Å; F75-T78 CarbonylContact O-C 3.23Å; F75-T78 VanDerWaalsContact O-C 3.23Å; F75-T78 PolarHBondContact O-N 3.35Å; F75-H79 AromaticContact CD1-CD2 3.54Å; F75-H79 AromaticContact CD1-NE2 3.97Å; F75-H79 AromaticContact CD2-CD2 3.9Å; F75-H79 AromaticContact CE1-CD2 3.15Å; F75-H79 WeakPolarHBondContact CE1-CD2 3.24Å; F75-H79 AromaticContact CE1-NE2 3.49Å; F75-H79 WeakPolarHBondContact CE1-NE2 3.42Å; F75-H79 HydrophobicContact CE2-CB 3.96Å; F75-H79 AromaticContact CE2-CD2 3.56Å; F75-H79 AromaticContact CG-CD2 3.89Å; F75-H79 HydrophobicContact CZ-CB 4.2Å; F75-H79 AromaticContact CZ-CD2 3.15Å; F75-H79 WeakPolarHBondContact CZ-CD2 3.35Å; F75-H79 AromaticContact CZ-CG 3.84Å; F75-H79 AromaticContact CZ-NE2 3.85Å; F75-H79 PolarHBondContact O-CD2 3.01Å; F75-H79 VanDerWaalsContact O-CD2 3.24Å; F75-W103 HydrophobicContact CB-CH2 4.08Å; F75-W103 HydrophobicContact CB-CZ3 4.08Å; F75-W103 HydrophobicContact CD2-CZ3 4.29Å; F75-W103 HydrophobicContact CG-CH2 4.5Å; F75-W103 HydrophobicContact CG-CZ3 4.45Å; F75-F104 HydrophobicContact CB-CE1 4.1Å; F75-F104 AromaticContact CD2-CD1 3.8Å; F75-F104 HydrophobicContact CD2-CD1 3.8Å; F75-F104 AromaticContact CD2-CE1 3.82Å; F75-F104 HydrophobicContact CD2-CE1 3.82Å; F75-F104 HydrophobicContact CG-CE1 4.47Å; F75-R107 HydrophobicContact CD1-CG 3.95Å; F75-R107 HydrophobicContact CD2-CB 4.23Å; F75-R107 HydrophobicContact CD2-CG 3.56Å; F75-R107 HydrophobicContact CE1-CG 3.89Å; F75-R107 HydrophobicContact CE2-CB 4.06Å; F75-R107 HydrophobicContact CE2-CG 3.5Å; F75-R107 VanDerWaalsContact CE2-CG 3.5Å; F75-R107 HydrophobicContact CG-CG 3.8Å; F75-R107 HydrophobicContact CZ-CG 3.68Å; F75-R108 HydrophobicContact CE2-CG 3.89Å; F75-R108 HydrophobicContact CZ-CG 4.44Å; F75-W111 HydrophobicContact CE1-CB 4.49Å; F75-W111 HydrophobicContact CZ-CB 4.04Å; F75-W111 HydrophobicContact CZ-CG 4.25Å
76	A	94.2	Very high	94.8	Very high	83 Å²	83	70.6 Å²	70.6	69%	0.686	35%	0.349	S	S	*	.	H	α-helix	trans	-62.8	-30.5	175.9	0	0	0	0	0	113.1	E72 G74	E72-A76 PolarHBondContact O-N 3.37Å; G74-A76 VanDerWaalsContact C-N 3.33Å; G74-A76 PolarHBondContact O-N 3.18Å
77	K	94.6	Very high	94.9	Very high	151 Å²	151	68 Å²	68	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-76.4	-45.3	174.7	-64.9	175.3	-177.4	179.6	0	111.8	G74 F75	G74-K77 WeakPolarHBondContact O-CB 3.46Å; G74-K77 PolarHBondContact O-N 2.78Å; G74-K77 VanDerWaalsContact O-N 3.14Å; F75-K77 VanDerWaalsContact C-N 3.26Å; F75-K77 PolarHBondContact O-N 3.36Å
78	T	92.5	Very high	94.9	Very high	60 Å²	60	69.7 Å²	69.7	37%	0.368	35%	0.35	S	S	.	.			trans	-155.1	130.5	176.5	175.7	0	0	0	0	111.1	G74 F75 Y80 P81	G74-T78 PolarHBondContact O-N 3.25Å; G74-T78 VanDerWaalsContact O-N 3.09Å; F75-T78 CarbonylContact O-C 3.23Å; F75-T78 VanDerWaalsContact O-C 3.23Å; F75-T78 PolarHBondContact O-N 3.35Å; T78-Y80 PolarHBondContact O-N 3.49Å; T78-Y80 PolarHBondContact OG1-N 2.88Å; T78-Y80 VanDerWaalsContact OG1-N 3.12Å; T78-Y80 PolarHBondContact OG1-O 3.09Å; T78-P81 HydrophobicContact CG2-CB 4.2Å
79	H	92.9	Very high	94.9	Very high	60 Å²	60	66.9 Å²	66.9	28%	0.278	34%	0.335	S	S	.	.	S	Bend	trans	-71.2	-17.4	173	-55.7	137.3	0	0	0	112.9	F75 R108	F75-H79 AromaticContact CD1-CD2 3.54Å; F75-H79 AromaticContact CD1-NE2 3.97Å; F75-H79 AromaticContact CD2-CD2 3.9Å; F75-H79 AromaticContact CE1-CD2 3.15Å; F75-H79 WeakPolarHBondContact CE1-CD2 3.24Å; F75-H79 AromaticContact CE1-NE2 3.49Å; F75-H79 WeakPolarHBondContact CE1-NE2 3.42Å; F75-H79 HydrophobicContact CE2-CB 3.96Å; F75-H79 AromaticContact CE2-CD2 3.56Å; F75-H79 AromaticContact CG-CD2 3.89Å; F75-H79 HydrophobicContact CZ-CB 4.2Å; F75-H79 AromaticContact CZ-CD2 3.15Å; F75-H79 WeakPolarHBondContact CZ-CD2 3.35Å; F75-H79 AromaticContact CZ-CG 3.84Å; F75-H79 AromaticContact CZ-NE2 3.85Å; F75-H79 PolarHBondContact O-CD2 3.01Å; F75-H79 VanDerWaalsContact O-CD2 3.24Å; H79-R108 HydrophobicContact CB-CG 4.47Å; H79-R108 WeakPolarHBondContact O-CD 3.34Å; H79-R108 PolarHBondContact O-NH1 3.37Å
80	Y	93.8	Very high	94.9	Very high	155 Å²	155	61.6 Å²	61.6	61%	0.608	31%	0.312	S	S	*	.	S	Bend	trans	-126.2	74.8	-178.1	-63.4	-85.3	0	0	0	109.8	T78	T78-Y80 PolarHBondContact O-N 3.49Å; T78-Y80 PolarHBondContact OG1-N 2.88Å; T78-Y80 VanDerWaalsContact OG1-N 3.12Å; T78-Y80 PolarHBondContact OG1-O 3.09Å
81	P	92.8	Very high	94.9	Very high	6 Å²	6	67.5 Å²	67.5	4%	0.039	34%	0.34	C	S	.	.			trans	-67.4	138.2	177.2	29.8	-37.8	0	0	0	110.9	T78 A85 R86 F104	T78-P81 HydrophobicContact CG2-CB 4.2Å; P81-A85 HydrophobicContact CB-CB 4Å; P81-R86 HydrophobicContact CB-CG 3.66Å; P81-R86 HydrophobicContact CG-CG 3.48Å; P81-R86 VanDerWaalsContact CG-CG 3.48Å; P81-R86 PolarHBondContact O-NH1 3.5Å; P81-F104 HydrophobicContact CB-CE1 4.44Å; P81-F104 HydrophobicContact CB-CZ 4.44Å; P81-F104 VanDerWaalsContact CD-CD1 3.42Å; P81-F104 HydrophobicContact CG-CD1 3.59Å; P81-F104 HydrophobicContact CG-CD2 3.96Å; P81-F104 HydrophobicContact CG-CE1 3.53Å; P81-F104 HydrophobicContact CG-CE2 3.94Å; P81-F104 HydrophobicContact CG-CG 3.82Å; P81-F104 HydrophobicContact CG-CZ 3.73Å
82	D	94.5	Very high	94.9	Very high	98 Å²	98	72.7 Å²	72.7	52%	0.524	36%	0.359	S	S	.	.			trans	-70.8	167.8	173.2	-173.5	32	0	0	0	112	F84 A85 R86	D82-F84 VanDerWaalsContact C-N 3.29Å; D82-F84 PolarHBondContact O-N 3.37Å; D82-A85 PolarHBondContact O-N 2.87Å; D82-A85 VanDerWaalsContact O-N 3.09Å; D82-R86 WeakPolarHBondContact O-CG 3.39Å; D82-R86 PolarHBondContact O-N 3.22Å
83	V	94.2	Very high	94.8	Very high	59 Å²	59	69.5 Å²	69.5	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-50.1	-46.8	-179.9	64.8	0	0	0	0	112.4	A85 R86 D87	V83-A85 PolarHBondContact O-N 3.19Å; V83-R86 PolarHBondContact O-N 2.94Å; V83-D87 PolarHBondContact O-N 2.98Å
84	F	95.5	Very high	94.9	Very high	157 Å²	157	72.9 Å²	72.9	69%	0.689	37%	0.365	S	S	*	.	H	α-helix	trans	-67.2	-39	179.6	-61.9	-71.4	0	0	0	112.9	D82 R86 D87 D88	D82-F84 VanDerWaalsContact C-N 3.29Å; D82-F84 PolarHBondContact O-N 3.37Å; F84-R86 VanDerWaalsContact C-N 3.31Å; F84-R86 PolarHBondContact O-N 3.34Å; F84-D87 PolarHBondContact O-N 2.78Å; F84-D88 PolarHBondContact O-N 3.48Å
85	A	95.3	Very high	94.7	Very high	41 Å²	41	73.3 Å²	73.3	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-68.4	-34	179.2	0	0	0	0	0	111.7	P81 D82 V83 L89	P81-A85 HydrophobicContact CB-CB 4Å; D82-A85 PolarHBondContact O-N 2.87Å; D82-A85 VanDerWaalsContact O-N 3.09Å; V83-A85 PolarHBondContact O-N 3.19Å; A85-L89 WeakPolarHBondContact O-CG 3.06Å; A85-L89 PolarHBondContact O-N 3.48Å
86	R	95.6	Very high	94.7	Very high	55 Å²	55	79 Å²	79	21%	0.208	40%	0.395	C	S	.	.	H	α-helix	trans	-73	-39.7	175.5	-62.6	-169.6	-60.2	-102.8	2.2	111.4	P81 D82 V83 F84 D88 L89 A90 E97 V100	P81-R86 HydrophobicContact CB-CG 3.66Å; P81-R86 HydrophobicContact CG-CG 3.48Å; P81-R86 VanDerWaalsContact CG-CG 3.48Å; P81-R86 PolarHBondContact O-NH1 3.5Å; D82-R86 WeakPolarHBondContact O-CG 3.39Å; D82-R86 PolarHBondContact O-N 3.22Å; V83-R86 PolarHBondContact O-N 2.94Å; F84-R86 VanDerWaalsContact C-N 3.31Å; F84-R86 PolarHBondContact O-N 3.34Å; R86-D88 PolarHBondContact O-N 3.13Å; R86-L89 WeakPolarHBondContact O-CB 3.39Å; R86-L89 PolarHBondContact O-N 3.48Å; R86-A90 WeakPolarHBondContact O-CB 3.31Å; R86-A90 PolarHBondContact O-N 2.95Å; R86-E97 WeakPolarHBondContact CA-OE2 3.33Å; R86-E97 WeakPolarHBondContact CB-OE1 3.49Å; R86-E97 WeakPolarHBondContact CB-OE2 3.13Å; R86-E97 WeakPolarHBondContact CD-OE1 3.36Å; R86-E97 IonicContact CZ-OE1 2.88Å; R86-E97 IonicContact NE-OE1 2.98Å; R86-E97 PolarHBondContact NE-OE1 2.85Å; R86-E97 IonicContact NH2-OE1 2.97Å; R86-E97 VanDerWaalsContact O-OE2 3.1Å; R86-V100 HydrophobicContact CB-CG1 4.19Å; R86-V100 HydrophobicContact CG-CG1 4.41Å
87	D	96.7	Very high	94.7	Very high	65 Å²	65	76.9 Å²	76.9	35%	0.348	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-41.6	174	-82.6	-13.8	0	0	0	112.5	V83 F84 A90 Q91 E97	V83-D87 PolarHBondContact O-N 2.98Å; F84-D87 PolarHBondContact O-N 2.78Å; D87-A90 WeakPolarHBondContact O-CB 3.49Å; D87-A90 PolarHBondContact O-N 3.34Å; D87-Q91 WeakPolarHBondContact O-CG 3.48Å; D87-Q91 PolarHBondContact O-N 2.86Å; D87-E97 PolarHBondContact N-OE2 2.89Å; D87-E97 WeakPolarHBondContact OD1-CB 3Å; D87-E97 WeakPolarHBondContact OD1-CG 2.67Å
88	D	96.6	Very high	94.5	Very high	60 Å²	60	72.7 Å²	72.7	32%	0.321	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-43.1	174	171.6	70.9	0	0	0	111.7	F84 R86 A90 Q91 R92	F84-D88 PolarHBondContact O-N 3.48Å; R86-D88 PolarHBondContact O-N 3.13Å; D88-A90 VanDerWaalsContact C-N 3.35Å; D88-A90 PolarHBondContact O-N 3.35Å; D88-Q91 PolarHBondContact O-N 3.49Å; D88-R92 VanDerWaalsContact CG-NE 3.27Å; D88-R92 VanDerWaalsContact CG-NH2 3.28Å; D88-R92 WeakPolarHBondContact O-CG 3.48Å; D88-R92 PolarHBondContact O-N 3.19Å; D88-R92 VanDerWaalsContact O-N 3.08Å; D88-R92 IonicContact OD1-CZ 2.97Å; D88-R92 VanDerWaalsContact OD1-CZ 3.31Å; D88-R92 IonicContact OD1-NE 2.69Å; D88-R92 PolarHBondContact OD1-NE 3.45Å; D88-R92 IonicContact OD1-NH2 3.8Å; D88-R92 PolarHBondContact OD1-NH2 3.25Å; D88-R92 IonicContact OD2-CZ 3.12Å; D88-R92 IonicContact OD2-NE 3.68Å; D88-R92 PolarHBondContact OD2-NE 2.99Å; D88-R92 IonicContact OD2-NH1 3.58Å; D88-R92 IonicContact OD2-NH2 2.7Å; D88-R92 PolarHBondContact OD2-NH2 2.65Å
89	L	95.8	Very high	94.5	Very high	13 Å²	13	72.7 Å²	72.7	7%	0.068	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-39.8	174.1	-73.4	170.3	0	0	0	112.1	A85 R86 Q91 R92 T93 V100 F104	A85-L89 WeakPolarHBondContact O-CG 3.06Å; A85-L89 PolarHBondContact O-N 3.48Å; R86-L89 WeakPolarHBondContact O-CB 3.39Å; R86-L89 PolarHBondContact O-N 3.48Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3Å; L89-R92 PolarHBondContact O-N 2.82Å; L89-T93 WeakPolarHBondContact O-CB 3.38Å; L89-T93 WeakPolarHBondContact O-CG2 3.38Å; L89-T93 PolarHBondContact O-N 3.36Å; L89-T93 PolarHBondContact O-OG1 2.99Å; L89-V100 HydrophobicContact CB-CG1 4.17Å; L89-V100 HydrophobicContact CD1-CG1 4.36Å; L89-F104 HydrophobicContact CD1-CE2 3.64Å; L89-F104 HydrophobicContact CD1-CZ 3.73Å
90	A	96.2	Very high	94.5	Very high	9 Å²	9	69.8 Å²	69.8	7%	0.074	35%	0.346	C	S	.	.	H	α-helix	trans	-59.9	-43.8	177.2	0	0	0	0	0	111	R86 D87 D88 Q94 L95 E97 V100	R86-A90 WeakPolarHBondContact O-CB 3.31Å; R86-A90 PolarHBondContact O-N 2.95Å; D87-A90 WeakPolarHBondContact O-CB 3.49Å; D87-A90 PolarHBondContact O-N 3.34Å; D88-A90 VanDerWaalsContact C-N 3.35Å; D88-A90 PolarHBondContact O-N 3.35Å; A90-Q94 WeakPolarHBondContact O-CA 3.37Å; A90-Q94 PolarHBondContact O-N 2.96Å; A90-L95 CarbonylContact C-O 3.53Å; A90-L95 WeakPolarHBondContact CA-O 3.47Å; A90-L95 VanDerWaalsContact CB-O 3.27Å; A90-L95 WeakPolarHBondContact CB-O 3.47Å; A90-L95 PolarHBondContact O-N 3.27Å; A90-E97 HydrophobicContact CB-CB 4.43Å; A90-V100 HydrophobicContact CB-CG2 4.01Å
91	Q	96.6	Very high	94.4	Very high	153 Å²	153	66.1 Å²	66.1	72%	0.715	34%	0.335	S	S	*	.	H	α-helix	trans	-63	-48.4	175.6	-69.8	177	25.4	0	0	112.1	D87 D88 L89 T93 Q94	D87-Q91 WeakPolarHBondContact O-CG 3.48Å; D87-Q91 PolarHBondContact O-N 2.86Å; D88-Q91 PolarHBondContact O-N 3.49Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3Å; Q91-T93 PolarHBondContact O-N 3.09Å; Q91-Q94 PolarHBondContact O-N 3.28Å
92	R	95.4	Very high	94.3	Very high	110 Å²	110	69 Å²	69	42%	0.415	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-38.6	-179	-67.6	171.6	-167.3	-153.6	2	113.2	D88 L89	D88-R92 VanDerWaalsContact CG-NE 3.27Å; D88-R92 VanDerWaalsContact CG-NH2 3.28Å; D88-R92 WeakPolarHBondContact O-CG 3.48Å; D88-R92 PolarHBondContact O-N 3.19Å; D88-R92 VanDerWaalsContact O-N 3.08Å; D88-R92 IonicContact OD1-CZ 2.97Å; D88-R92 VanDerWaalsContact OD1-CZ 3.31Å; D88-R92 IonicContact OD1-NE 2.69Å; D88-R92 PolarHBondContact OD1-NE 3.45Å; D88-R92 IonicContact OD1-NH2 3.8Å; D88-R92 PolarHBondContact OD1-NH2 3.25Å; D88-R92 IonicContact OD2-CZ 3.12Å; D88-R92 IonicContact OD2-NE 3.68Å; D88-R92 PolarHBondContact OD2-NE 2.99Å; D88-R92 IonicContact OD2-NH1 3.58Å; D88-R92 IonicContact OD2-NH2 2.7Å; D88-R92 PolarHBondContact OD2-NH2 2.65Å; L89-R92 PolarHBondContact O-N 2.82Å
93	T	94.4	Very high	94.3	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-89.9	-5.1	-177.1	58.9	0	0	0	0	113.5	Q67 E70 L71 L89 Q91 L95	Q67-T93 HydrophobicContact CB-CG2 4.49Å; Q67-T93 WeakPolarHBondContact CG-O 3.38Å; Q67-T93 PolarHBondContact NE2-O 3.02Å; E70-T93 HydrophobicContact CB-CG2 3.74Å; L71-T93 HydrophobicContact CG-CG2 4.36Å; L89-T93 WeakPolarHBondContact O-CB 3.38Å; L89-T93 WeakPolarHBondContact O-CG2 3.38Å; L89-T93 PolarHBondContact O-N 3.36Å; L89-T93 PolarHBondContact O-OG1 2.99Å; Q91-T93 PolarHBondContact O-N 3.09Å; T93-L95 PolarHBondContact O-N 3.49Å; T93-L95 WeakPolarHBondContact OG1-CD1 2.95Å
94	Q	95.7	Very high	94.2	Very high	179 Å²	179	62.7 Å²	62.7	84%	0.836	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	39.7	-171.9	-55	-173.5	-70.8	0	0	112.6	A90 Q91	A90-Q94 WeakPolarHBondContact O-CA 3.37Å; A90-Q94 PolarHBondContact O-N 2.96Å; Q91-Q94 PolarHBondContact O-N 3.28Å
95	L	91.5	Very high	94	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.105	29%	0.287	C	S	.	.			trans	-111	157.5	176.5	-65.1	173.2	0	0	0	109.6	T61 F63 Q67 L71 A90 T93 K99 V100	T61-L95 HydrophobicContact CG2-CD2 4.49Å; F63-L95 HydrophobicContact CD1-CD1 3.62Å; F63-L95 HydrophobicContact CD1-CD2 4.01Å; F63-L95 HydrophobicContact CD1-CG 4.48Å; F63-L95 HydrophobicContact CE1-CD1 3.51Å; F63-L95 HydrophobicContact CE1-CD2 3.94Å; F63-L95 HydrophobicContact CE1-CG 4.37Å; Q67-L95 HydrophobicContact CB-CD1 4.49Å; Q67-L95 HydrophobicContact CG-CD1 4.49Å; L71-L95 HydrophobicContact CD1-CD1 4.15Å; A90-L95 CarbonylContact C-O 3.53Å; A90-L95 WeakPolarHBondContact CA-O 3.47Å; A90-L95 VanDerWaalsContact CB-O 3.27Å; A90-L95 WeakPolarHBondContact CB-O 3.47Å; A90-L95 PolarHBondContact O-N 3.27Å; T93-L95 PolarHBondContact O-N 3.49Å; T93-L95 WeakPolarHBondContact OG1-CD1 2.95Å; L95-K99 HydrophobicContact CB-CB 4.34Å; L95-V100 HydrophobicContact CB-CG2 4.26Å
96	N	92.8	Very high	93.7	Very high	123 Å²	123	58.4 Å²	58.4	66%	0.658	29%	0.292	S	S	*	.			trans	-71.6	146.5	168.7	-63.9	34.1	0	0	0	109.6	A98 K99 V100	N96-A98 PolarHBondContact O-N 3.45Å; N96-A98 VanDerWaalsContact O-N 3.14Å; N96-K99 HydrophobicContact CB-CG 4.24Å; N96-K99 WeakPolarHBondContact O-CA 3.38Å; N96-K99 VanDerWaalsContact O-CB 3.26Å; N96-K99 WeakPolarHBondContact O-CB 3.45Å; N96-K99 PolarHBondContact O-N 2.92Å; N96-V100 PolarHBondContact O-N 3.35Å
97	E	94.6	Very high	93.6	Very high	39 Å²	39	58.7 Å²	58.7	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-50.5	-41.4	175	169.3	52.4	-161.1	0	0	112.9	R86 D87 A90 K99 V100 Q101	R86-E97 WeakPolarHBondContact CA-OE2 3.33Å; R86-E97 WeakPolarHBondContact CB-OE1 3.49Å; R86-E97 WeakPolarHBondContact CB-OE2 3.13Å; R86-E97 WeakPolarHBondContact CD-OE1 3.36Å; R86-E97 IonicContact CZ-OE1 2.88Å; R86-E97 IonicContact NE-OE1 2.98Å; R86-E97 PolarHBondContact NE-OE1 2.85Å; R86-E97 IonicContact NH2-OE1 2.97Å; R86-E97 VanDerWaalsContact O-OE2 3.1Å; D87-E97 PolarHBondContact N-OE2 2.89Å; D87-E97 WeakPolarHBondContact OD1-CB 3Å; D87-E97 WeakPolarHBondContact OD1-CG 2.67Å; A90-E97 HydrophobicContact CB-CB 4.43Å; E97-K99 PolarHBondContact O-N 2.87Å; E97-V100 PolarHBondContact O-N 2.77Å; E97-V100 VanDerWaalsContact O-N 3.16Å; E97-Q101 WeakPolarHBondContact O-CB 3.4Å; E97-Q101 PolarHBondContact O-N 3.29Å
98	A	91.4	Very high	93.3	Very high	63 Å²	63	57.7 Å²	57.7	52%	0.521	29%	0.285	S	S	.	.	H	α-helix	trans	-58.7	-31.2	174.9	0	0	0	0	0	113.8	N96 V102	N96-A98 PolarHBondContact O-N 3.45Å; N96-A98 VanDerWaalsContact O-N 3.14Å; A98-V102 VanDerWaalsContact O-CG2 3.27Å; A98-V102 WeakPolarHBondContact O-CG2 3.49Å; A98-V102 PolarHBondContact O-N 3.13Å; A98-V102 VanDerWaalsContact O-N 3.12Å
99	K	92.4	Very high	92.7	Very high	59 Å²	59	56 Å²	56	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-74.5	-42.9	176.9	-64.2	-72.7	178.3	167.2	0	111	T61 L95 N96 E97 Q101 V102 W103	T61-K99 WeakPolarHBondContact OG1-CE 3.24Å; T61-K99 PolarHBondContact OG1-NZ 2.9Å; L95-K99 HydrophobicContact CB-CB 4.34Å; N96-K99 HydrophobicContact CB-CG 4.24Å; N96-K99 WeakPolarHBondContact O-CA 3.38Å; N96-K99 VanDerWaalsContact O-CB 3.26Å; N96-K99 WeakPolarHBondContact O-CB 3.45Å; N96-K99 PolarHBondContact O-N 2.92Å; E97-K99 PolarHBondContact O-N 2.87Å; K99-Q101 VanDerWaalsContact C-N 3.35Å; K99-V102 PolarHBondContact O-N 3.36Å; K99-W103 WeakPolarHBondContact O-CB 3.35Å; K99-W103 PolarHBondContact O-N 3.4Å
100	V	92.5	Very high	92	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.8	-49.6	173.4	178.6	0	0	0	0	109.3	L71 R86 L89 A90 L95 N96 E97 V102 W103 F104	L71-V100 HydrophobicContact CD2-CB 4.46Å; L71-V100 HydrophobicContact CD2-CG1 3.92Å; L71-V100 HydrophobicContact CD2-CG2 4.23Å; R86-V100 HydrophobicContact CB-CG1 4.19Å; R86-V100 HydrophobicContact CG-CG1 4.41Å; L89-V100 HydrophobicContact CB-CG1 4.17Å; L89-V100 HydrophobicContact CD1-CG1 4.36Å; A90-V100 HydrophobicContact CB-CG2 4.01Å; L95-V100 HydrophobicContact CB-CG2 4.26Å; N96-V100 PolarHBondContact O-N 3.35Å; E97-V100 PolarHBondContact O-N 2.77Å; E97-V100 VanDerWaalsContact O-N 3.16Å; V100-V102 PolarHBondContact O-N 3.13Å; V100-W103 WeakPolarHBondContact O-CB 3.33Å; V100-W103 PolarHBondContact O-N 3.28Å; V100-W103 VanDerWaalsContact O-N 3.09Å; V100-F104 HydrophobicContact CG1-CD2 3.68Å; V100-F104 HydrophobicContact CG1-CE2 3.67Å; V100-F104 WeakPolarHBondContact O-CD2 3.35Å; V100-F104 PolarHBondContact O-N 3.26Å
101	Q	92.8	Very high	91.4	Very high	78 Å²	78	66.4 Å²	66.4	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-54.2	-49.9	176.7	-174	-179.1	-93.2	0	0	112.6	E97 K99 W103 F104 Q105	E97-Q101 WeakPolarHBondContact O-CB 3.4Å; E97-Q101 PolarHBondContact O-N 3.29Å; K99-Q101 VanDerWaalsContact C-N 3.35Å; Q101-W103 VanDerWaalsContact C-N 3.33Å; Q101-W103 PolarHBondContact O-N 3.14Å; Q101-F104 PolarHBondContact O-N 3.42Å; Q101-Q105 VanDerWaalsContact O-CG 3.24Å; Q101-Q105 WeakPolarHBondContact O-CG 3.36Å; Q101-Q105 PolarHBondContact O-N 3.3Å
102	V	89.8	Confident	90.6	Very high	66 Å²	66	65.9 Å²	65.9	40%	0.4	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-38	178	170.6	0	0	0	0	111.5	A98 K99 V100 Q105 N106	A98-V102 VanDerWaalsContact O-CG2 3.27Å; A98-V102 WeakPolarHBondContact O-CG2 3.49Å; A98-V102 PolarHBondContact O-N 3.13Å; A98-V102 VanDerWaalsContact O-N 3.12Å; K99-V102 PolarHBondContact O-N 3.36Å; V100-V102 PolarHBondContact O-N 3.13Å; V102-Q105 PolarHBondContact O-N 3.33Å; V102-N106 PolarHBondContact O-N 3Å; V102-N106 PolarHBondContact O-ND2 3.28Å
103	W	93.9	Very high	89.2	Confident	23 Å²	23	62.6 Å²	62.6	9%	0.087	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-48.4	175.2	-176.4	100.1	0	0	0	110.8	F63 L71 E72 F75 K99 V100 Q101 Q105 N106 R107	F63-W103 AromaticContact CD2-CD1 3.98Å; F63-W103 AromaticContact CE2-CD1 3.67Å; F63-W103 HydrophobicContact CZ-CB 4.33Å; L71-W103 VanDerWaalsContact C-CH2 3.49Å; L71-W103 HydrophobicContact CB-CD2 3.89Å; L71-W103 HydrophobicContact CB-CE3 3.88Å; L71-W103 HydrophobicContact CB-CH2 3.67Å; L71-W103 HydrophobicContact CB-CZ2 3.63Å; L71-W103 HydrophobicContact CB-CZ3 3.78Å; L71-W103 HydrophobicContact CD1-CB 4.44Å; L71-W103 HydrophobicContact CD1-CD2 3.84Å; L71-W103 HydrophobicContact CD1-CE3 4.46Å; L71-W103 HydrophobicContact CD1-CG 3.78Å; L71-W103 HydrophobicContact CD2-CD2 4.31Å; L71-W103 HydrophobicContact CD2-CE3 4.14Å; L71-W103 HydrophobicContact CG-CD2 4.24Å; L71-W103 HydrophobicContact CG-CE3 4.39Å; L71-W103 WeakPolarHBondContact O-CH2 3.42Å; E72-W103 WeakPolarHBondContact OE2-CH2 3.47Å; F75-W103 HydrophobicContact CB-CH2 4.08Å; F75-W103 HydrophobicContact CB-CZ3 4.08Å; F75-W103 HydrophobicContact CD2-CZ3 4.29Å; F75-W103 HydrophobicContact CG-CH2 4.5Å; F75-W103 HydrophobicContact CG-CZ3 4.45Å; K99-W103 WeakPolarHBondContact O-CB 3.35Å; K99-W103 PolarHBondContact O-N 3.4Å; V100-W103 WeakPolarHBondContact O-CB 3.33Å; V100-W103 PolarHBondContact O-N 3.28Å; V100-W103 VanDerWaalsContact O-N 3.09Å; Q101-W103 VanDerWaalsContact C-N 3.33Å; Q101-W103 PolarHBondContact O-N 3.14Å; W103-Q105 VanDerWaalsContact C-N 3.32Å; W103-Q105 PolarHBondContact O-N 3.49Å; W103-N106 PolarHBondContact O-N 3.46Å; W103-R107 HydrophobicContact CD2-CB 4.4Å; W103-R107 HydrophobicContact CE3-CB 4.08Å; W103-R107 HydrophobicContact CH2-CB 4Å; W103-R107 HydrophobicContact CH2-CG 3.66Å; W103-R107 HydrophobicContact CZ2-CB 4.36Å; W103-R107 HydrophobicContact CZ2-CG 4.2Å; W103-R107 HydrophobicContact CZ3-CB 3.86Å; W103-R107 HydrophobicContact CZ3-CG 3.89Å; W103-R107 VanDerWaalsContact O-CB 3.31Å; W103-R107 WeakPolarHBondContact O-CB 3.48Å; W103-R107 PolarHBondContact O-N 3.13Å
104	F	93.4	Very high	88	Confident	1 Å²	1	65.5 Å²	65.5	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-37.8	177.4	-89.6	-89	0	0	0	112.4	L71 F75 P81 L89 V100 Q101 R107 R108	L71-F104 HydrophobicContact CD2-CE2 4.1Å; F75-F104 HydrophobicContact CB-CE1 4.1Å; F75-F104 AromaticContact CD2-CD1 3.8Å; F75-F104 HydrophobicContact CD2-CD1 3.8Å; F75-F104 AromaticContact CD2-CE1 3.82Å; F75-F104 HydrophobicContact CD2-CE1 3.82Å; F75-F104 HydrophobicContact CG-CE1 4.47Å; P81-F104 HydrophobicContact CB-CE1 4.44Å; P81-F104 HydrophobicContact CB-CZ 4.44Å; P81-F104 VanDerWaalsContact CD-CD1 3.42Å; P81-F104 HydrophobicContact CG-CD1 3.59Å; P81-F104 HydrophobicContact CG-CD2 3.96Å; P81-F104 HydrophobicContact CG-CE1 3.53Å; P81-F104 HydrophobicContact CG-CE2 3.94Å; P81-F104 HydrophobicContact CG-CG 3.82Å; P81-F104 HydrophobicContact CG-CZ 3.73Å; L89-F104 HydrophobicContact CD1-CE2 3.64Å; L89-F104 HydrophobicContact CD1-CZ 3.73Å; V100-F104 HydrophobicContact CG1-CD2 3.68Å; V100-F104 HydrophobicContact CG1-CE2 3.67Å; V100-F104 WeakPolarHBondContact O-CD2 3.35Å; V100-F104 PolarHBondContact O-N 3.26Å; Q101-F104 PolarHBondContact O-N 3.42Å; F104-R107 PolarHBondContact O-N 3.04Å; F104-R108 WeakPolarHBondContact O-CB 3.46Å; F104-R108 WeakPolarHBondContact O-CG 3.48Å; F104-R108 PolarHBondContact O-N 2.8Å
105	Q	89.9	Confident	86.4	Confident	25 Å²	25	64 Å²	64	12%	0.117	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-47.7	174.4	-69.6	167.3	9.9	0	0	111.8	Q101 V102 W103 R108 A109 F134	Q101-Q105 VanDerWaalsContact O-CG 3.24Å; Q101-Q105 WeakPolarHBondContact O-CG 3.36Å; Q101-Q105 PolarHBondContact O-N 3.3Å; V102-Q105 PolarHBondContact O-N 3.33Å; W103-Q105 VanDerWaalsContact C-N 3.32Å; W103-Q105 PolarHBondContact O-N 3.49Å; Q105-R108 PolarHBondContact O-N 3.4Å; Q105-A109 WeakPolarHBondContact O-CB 3.39Å; Q105-A109 PolarHBondContact O-N 3.03Å; Q105-F134 HydrophobicContact CB-CD2 3.94Å; Q105-F134 HydrophobicContact CB-CE2 3.81Å; Q105-F134 HydrophobicContact CB-CZ 4.47Å; Q105-F134 HydrophobicContact CG-CD2 4.06Å; Q105-F134 HydrophobicContact CG-CE2 3.41Å; Q105-F134 VanDerWaalsContact CG-CE2 3.41Å; Q105-F134 HydrophobicContact CG-CZ 3.74Å; Q105-F134 VanDerWaalsContact OE1-CE2 3.29Å
106	N	90.3	Very high	84.9	Confident	83 Å²	83	69.4 Å²	69.4	44%	0.444	34%	0.339	S	S	.	.	H	α-helix	trans	-66.4	-39.6	177.6	-73.3	-22.2	0	0	0	111.9	V102 W103 A109 K110	V102-N106 PolarHBondContact O-N 3Å; V102-N106 PolarHBondContact O-ND2 3.28Å; W103-N106 PolarHBondContact O-N 3.46Å; N106-A109 WeakPolarHBondContact O-CB 3.32Å; N106-A109 PolarHBondContact O-N 3.47Å; N106-K110 PolarHBondContact O-N 3.35Å
107	R	92.8	Very high	83.2	Confident	61 Å²	61	69 Å²	69	23%	0.23	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-44.1	177.8	-175	66.3	-173.4	92.8	-3.6	111.5	E72 F75 W103 F104 A109 K110 W111	E72-R107 IonicContact OE1-CZ 3.65Å; E72-R107 VanDerWaalsContact OE1-CZ 3.3Å; E72-R107 IonicContact OE1-NE 3.81Å; E72-R107 PolarHBondContact OE1-NE 3.38Å; E72-R107 IonicContact OE1-NH2 3.75Å; E72-R107 PolarHBondContact OE1-NH2 2.93Å; E72-R107 WeakPolarHBondContact OE2-CD 3.22Å; E72-R107 IonicContact OE2-CZ 3.75Å; E72-R107 IonicContact OE2-NE 3.3Å; E72-R107 PolarHBondContact OE2-NE 3.19Å; E72-R107 IonicContact OE2-NH2 2.69Å; F75-R107 HydrophobicContact CD1-CG 3.95Å; F75-R107 HydrophobicContact CD2-CB 4.23Å; F75-R107 HydrophobicContact CD2-CG 3.56Å; F75-R107 HydrophobicContact CE1-CG 3.89Å; F75-R107 HydrophobicContact CE2-CB 4.06Å; F75-R107 HydrophobicContact CE2-CG 3.5Å; F75-R107 VanDerWaalsContact CE2-CG 3.5Å; F75-R107 HydrophobicContact CG-CG 3.8Å; F75-R107 HydrophobicContact CZ-CG 3.68Å; W103-R107 HydrophobicContact CD2-CB 4.4Å; W103-R107 HydrophobicContact CE3-CB 4.08Å; W103-R107 HydrophobicContact CH2-CB 4Å; W103-R107 HydrophobicContact CH2-CG 3.66Å; W103-R107 HydrophobicContact CZ2-CB 4.36Å; W103-R107 HydrophobicContact CZ2-CG 4.2Å; W103-R107 HydrophobicContact CZ3-CB 3.86Å; W103-R107 HydrophobicContact CZ3-CG 3.89Å; W103-R107 VanDerWaalsContact O-CB 3.31Å; W103-R107 WeakPolarHBondContact O-CB 3.48Å; W103-R107 PolarHBondContact O-N 3.13Å; F104-R107 PolarHBondContact O-N 3.04Å; R107-A109 VanDerWaalsContact C-N 3.32Å; R107-A109 PolarHBondContact O-N 2.97Å; R107-K110 PolarHBondContact O-N 3.08Å; R107-W111 WeakPolarHBondContact O-CB 3.45Å; R107-W111 PolarHBondContact O-N 3.45Å
108	R	90	Very high	81.5	Confident	45 Å²	45	71.4 Å²	71.4	17%	0.17	35%	0.348	C	S	.	.	H	α-helix	trans	-62.6	-37	171.4	-76.4	-164.6	-61.3	-86.5	0.2	112.4	F75 H79 F104 Q105 W111 R112	F75-R108 HydrophobicContact CE2-CG 3.89Å; F75-R108 HydrophobicContact CZ-CG 4.44Å; H79-R108 HydrophobicContact CB-CG 4.47Å; H79-R108 WeakPolarHBondContact O-CD 3.34Å; H79-R108 PolarHBondContact O-NH1 3.37Å; F104-R108 WeakPolarHBondContact O-CB 3.46Å; F104-R108 WeakPolarHBondContact O-CG 3.48Å; F104-R108 PolarHBondContact O-N 2.8Å; Q105-R108 PolarHBondContact O-N 3.4Å; R108-W111 PolarHBondContact O-N 3.22Å; R108-R112 WeakPolarHBondContact O-CG 3.27Å; R108-R112 PolarHBondContact O-N 3.47Å
109	A	84.2	Confident	79.7	Confident	24 Å²	24	74.4 Å²	74.4	20%	0.198	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-47.8	174.5	0	0	0	0	0	110.7	Q105 N106 R107 K113	Q105-A109 WeakPolarHBondContact O-CB 3.39Å; Q105-A109 PolarHBondContact O-N 3.03Å; N106-A109 WeakPolarHBondContact O-CB 3.32Å; N106-A109 PolarHBondContact O-N 3.47Å; R107-A109 VanDerWaalsContact C-N 3.32Å; R107-A109 PolarHBondContact O-N 2.97Å; A109-K113 WeakPolarHBondContact O-CG 3.4Å; A109-K113 PolarHBondContact O-N 3.08Å
110	K	80.6	Confident	78	Confident	139 Å²	139	78.2 Å²	78.2	60%	0.604	37%	0.374	S	S	*	.	H	α-helix	trans	-57.3	-51.2	173.5	-71.3	-174.2	176.3	-171.9	0	111.5	N106 R107 R112 K113 S114 R121	N106-K110 PolarHBondContact O-N 3.35Å; R107-K110 PolarHBondContact O-N 3.08Å; K110-R112 PolarHBondContact O-N 3.19Å; K110-K113 PolarHBondContact O-N 3.37Å; K110-K113 VanDerWaalsContact O-N 3.14Å; K110-S114 PolarHBondContact O-N 3.46Å; K110-S114 VanDerWaalsContact O-N 3.13Å; K110-S114 PolarHBondContact O-OG 3.09Å; K110-R121 PolarHBondContact O-NH2 3.05Å; K110-R121 VanDerWaalsContact O-NH2 3.13Å
111	W	85.2	Confident	76.3	Confident	101 Å²	101	79.5 Å²	79.5	38%	0.383	38%	0.379	S	S	.	.	H	α-helix	trans	-55.4	-49	-178.9	178.1	80.9	0	0	0	112.8	F75 R107 R108 K113 S114	F75-W111 HydrophobicContact CE1-CB 4.49Å; F75-W111 HydrophobicContact CZ-CB 4.04Å; F75-W111 HydrophobicContact CZ-CG 4.25Å; R107-W111 WeakPolarHBondContact O-CB 3.45Å; R107-W111 PolarHBondContact O-N 3.45Å; R108-W111 PolarHBondContact O-N 3.22Å; W111-K113 PolarHBondContact O-N 3.45Å; W111-S114 PolarHBondContact O-N 3.32Å
112	R	78.3	Confident	74.5	Confident	143 Å²	143	81.1 Å²	81.1	54%	0.54	39%	0.386	S	S	.	.	H	α-helix	trans	-56.3	-42.8	178.7	-81.6	-172.7	-69.6	116.2	-5.2	111.9	R108 K110	R108-R112 WeakPolarHBondContact O-CG 3.27Å; R108-R112 PolarHBondContact O-N 3.47Å; K110-R112 PolarHBondContact O-N 3.19Å
113	K	67	Low	72.9	Confident	41 Å²	41	85.4 Å²	85.4	18%	0.178	40%	0.402	C	S	.	.	H	α-helix	trans	-85.1	-15.6	-170.2	53.8	145.6	129.4	-163.1	0	112.6	A109 K110 W111 Q115 M116 R121 M125	A109-K113 WeakPolarHBondContact O-CG 3.4Å; A109-K113 PolarHBondContact O-N 3.08Å; K110-K113 PolarHBondContact O-N 3.37Å; K110-K113 VanDerWaalsContact O-N 3.14Å; W111-K113 PolarHBondContact O-N 3.45Å; K113-Q115 PolarHBondContact O-N 3.12Å; K113-Q115 VanDerWaalsContact O-N 3.13Å; K113-M116 HydrophobicContact CB-SD 4.49Å; K113-M116 PolarHBondContact O-N 3.37Å; K113-R121 VanDerWaalsContact O-CD 3.22Å; K113-R121 WeakPolarHBondContact O-CD 3.42Å; K113-R121 PolarHBondContact O-NE 3.24Å; K113-R121 PolarHBondContact O-NH1 3.13Å; K113-M125 HydrophobicContact CD-SD 3.48Å; K113-M125 WeakPolarHBondContact CD-SD 3.46Å
114	S	69.1	Low	71	Confident	62 Å²	62	90.6 Å²	90.6	43%	0.434	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8	173	-69.9	0	0	0	0	113.9	K110 W111 R121	K110-S114 PolarHBondContact O-N 3.46Å; K110-S114 VanDerWaalsContact O-N 3.13Å; K110-S114 PolarHBondContact O-OG 3.09Å; W111-S114 PolarHBondContact O-N 3.32Å; S114-R121 VanDerWaalsContact N-CZ 3.3Å
115	Q	62.1	Low	69.2	Low	149 Å²	149	94.2 Å²	94.2	70%	0.696	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	2.5	177.4	-60.9	-66.5	-23.9	0	0	113.8	K113	K113-Q115 PolarHBondContact O-N 3.12Å; K113-Q115 VanDerWaalsContact O-N 3.13Å
116	M	59.1	Low	67.6	Low	133 Å²	133	97.3 Å²	97.3	66%	0.655	48%	0.479	S	S	*	.	S	Bend	trans	-119	39.6	-164.1	-60.9	177.1	70.6	0	0	114.8	K113	K113-M116 HydrophobicContact CB-SD 4.49Å; K113-M116 PolarHBondContact O-N 3.37Å
117	N	57.6	Low	65.9	Low	113 Å²	113	96.1 Å²	96.1	60%	0.604	48%	0.481	S	S	*	.			trans	76.4	111.9	-174.2	-45.8	-47.5	0	0	0	112.7	D119 R121	N117-D119 PolarHBondContact O-N 3.33Å; N117-R121 WeakPolarHBondContact O-CB 3.3Å
118	E	58.7	Low	64	Low	90 Å²	90	102.8 Å²	102.8	42%	0.421	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-24.5	-175.4	-164.9	59.2	-144.7	0	0	112.1	Q122	E118-Q122 VanDerWaalsContact O-CG 3.27Å; E118-Q122 WeakPolarHBondContact O-CG 3.49Å; E118-Q122 PolarHBondContact O-N 2.87Å; E118-Q122 PolarHBondContact OE1-NE2 3.36Å
119	D	54.7	Low	62.1	Low	127 Å²	127	102.7 Å²	102.7	68%	0.679	52%	0.524	S	S	*	.	H	α-helix	trans	-88.9	-43.8	-166	-56.7	-50	0	0	0	115.1	N117 R121	N117-D119 PolarHBondContact O-N 3.33Å; D119-R121 VanDerWaalsContact C-N 3.32Å
120	E	56.9	Low	60.7	Low	138 Å²	138	105.4 Å²	105.4	65%	0.645	54%	0.538	S	S	*	.	H	α-helix	trans	-77.6	-25.9	176.8	-66.8	-175	121.9	0	0	112.5	L124	E120-L124 PolarHBondContact O-N 3.43Å
121	R	55.5	Low	59.3	Low	28 Å²	28	107 Å²	107	11%	0.106	55%	0.546	C	S	.	.	H	α-helix	trans	-69.6	-48	-177.7	170.9	-176.3	164.9	72.6	-3.3	110.2	K110 K113 S114 N117 D119 Q123 L124 M125	K110-R121 PolarHBondContact O-NH2 3.05Å; K110-R121 VanDerWaalsContact O-NH2 3.13Å; K113-R121 VanDerWaalsContact O-CD 3.22Å; K113-R121 WeakPolarHBondContact O-CD 3.42Å; K113-R121 PolarHBondContact O-NE 3.24Å; K113-R121 PolarHBondContact O-NH1 3.13Å; S114-R121 VanDerWaalsContact N-CZ 3.3Å; N117-R121 WeakPolarHBondContact O-CB 3.3Å; D119-R121 VanDerWaalsContact C-N 3.32Å; R121-Q123 PolarHBondContact O-N 3.14Å; R121-Q123 VanDerWaalsContact O-N 3.13Å; R121-L124 PolarHBondContact O-N 3.09Å; R121-M125 VanDerWaalsContact C-CG 3.48Å; R121-M125 HydrophobicContact CB-CE 3.87Å; R121-M125 HydrophobicContact CB-CG 4.25Å; R121-M125 HydrophobicContact CG-CE 3.6Å; R121-M125 HydrophobicContact CG-CG 3.62Å; R121-M125 HydrophobicContact CG-SD 3.77Å; R121-M125 WeakPolarHBondContact O-CB 3.15Å; R121-M125 WeakPolarHBondContact O-CG 3.15Å; R121-M125 PolarHBondContact O-N 2.87Å
122	Q	56	Low	57.5	Low	111 Å²	111	109.4 Å²	109.4	52%	0.519	56%	0.559	S	S	.	*	H	α-helix	trans	-58.2	-33.9	-179.4	-72.2	174.1	19.1	0	0	112.8	E118 A126	E118-Q122 VanDerWaalsContact O-CG 3.27Å; E118-Q122 WeakPolarHBondContact O-CG 3.49Å; E118-Q122 PolarHBondContact O-N 2.87Å; E118-Q122 PolarHBondContact OE1-NE2 3.36Å; Q122-A126 WeakPolarHBondContact O-CB 3.48Å; Q122-A126 PolarHBondContact O-N 3.37Å
123	Q	55.2	Low	56.3	Low	156 Å²	156	107.1 Å²	107.1	73%	0.729	56%	0.558	S	S	*	*	H	α-helix	trans	-77.5	-38.9	-178.9	-75.1	165.3	24.5	0	0	114.4	R121	R121-Q123 PolarHBondContact O-N 3.14Å; R121-Q123 VanDerWaalsContact O-N 3.13Å
124	L	55.5	Low	55.5	Low	133 Å²	133	110.2 Å²	110.2	70%	0.696	57%	0.571	S	S	*	*	H	α-helix	trans	-84.8	-27.9	177.7	-84.5	162.5	0	0	0	113.6	E120 R121	E120-L124 PolarHBondContact O-N 3.43Å; R121-L124 PolarHBondContact O-N 3.09Å
125	M	54.4	Low	54.9	Low	76 Å²	76	112.2 Å²	112.2	37%	0.374	57%	0.572	S	S	.	*	H	α-helix	trans	-85.1	-24.3	-176.8	-37.9	-107.9	155.5	0	0	111.3	K113 R121	K113-M125 HydrophobicContact CD-SD 3.48Å; K113-M125 WeakPolarHBondContact CD-SD 3.46Å; R121-M125 VanDerWaalsContact C-CG 3.48Å; R121-M125 HydrophobicContact CB-CE 3.87Å; R121-M125 HydrophobicContact CB-CG 4.25Å; R121-M125 HydrophobicContact CG-CE 3.6Å; R121-M125 HydrophobicContact CG-CG 3.62Å; R121-M125 HydrophobicContact CG-SD 3.77Å; R121-M125 WeakPolarHBondContact O-CB 3.15Å; R121-M125 WeakPolarHBondContact O-CG 3.15Å; R121-M125 PolarHBondContact O-N 2.87Å
126	A	56.9	Low	54.5	Low	91 Å²	91	112.7 Å²	112.7	75%	0.752	57%	0.572	S	S	*	*	H	α-helix	trans	-72.4	-26.4	171.2	0	0	0	0	0	113	Q122	Q122-A126 WeakPolarHBondContact O-CB 3.48Å; Q122-A126 PolarHBondContact O-N 3.37Å
127	A	53.6	Low	54.3	Low	58 Å²	58	116 Å²	116	48%	0.479	58%	0.583	S	S	.	*	H	α-helix	trans	-87.1	-30.6	-171.3	0	0	0	0	0	115
128	F	52.6	Low	54.3	Low	201 Å²	201	112.7 Å²	112.7	88%	0.882	57%	0.565	S	S	*	*	S	Bend	trans	-147	-34.7	-167.3	-85.5	-79.2	0	0	0	122.1
129	G	52	Low	54.2	Low	42 Å²	42	112.5 Å²	112.5	43%	0.433	57%	0.572	S	S	.	*			trans	-169.7	80.7	-154.7	0	0	0	0	0	119.6
130	V	54.1	Low	54.3	Low	82 Å²	82	113.1 Å²	113.1	50%	0.497	57%	0.574	S	S	.	*	S	Bend	trans	-115.3	3	161	-53.7	0	0	0	0	113.6
131	F	50.8	Low	54.5	Low	172 Å²	172	111.1 Å²	111.1	75%	0.754	58%	0.581	S	S	*	*	S	Bend	trans	-83.8	-13.8	-174.5	-159.7	-98.3	0	0	0	113.9
132	F	47	Very low	54.3	Low	151 Å²	151	115.8 Å²	115.8	66%	0.662	61%	0.607	S	S	*	*	S	Bend	trans	-120.4	-14.9	-169.1	-98.4	-92.2	0	0	0	116.4	F134 F135	F132-F134 PolarHBondContact O-N 2.85Å; F132-F134 VanDerWaalsContact O-N 3.11Å; F132-F135 HydrophobicContact CD1-CD2 4.43Å; F132-F135 PolarHBondContact O-N 2.94Å; F132-F135 VanDerWaalsContact O-N 3.17Å
133	D	53.8	Low	54.4	Low	96 Å²	96	115.7 Å²	115.7	51%	0.513	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-67.3	-16.9	-172.4	-72.5	-57.9	0	0	0	114.8	F135 K136	D133-F135 VanDerWaalsContact C-N 3.3Å; D133-F135 PolarHBondContact O-N 2.7Å; D133-K136 WeakPolarHBondContact O-CB 3.27Å; D133-K136 PolarHBondContact O-N 2.8Å
134	F	49.9	Very low	54.6	Low	105 Å²	105	112.6 Å²	112.6	46%	0.461	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-68.1	-28.1	175.7	-170.7	-99.1	0	0	0	112.9	Q105 F132 K136	Q105-F134 HydrophobicContact CB-CD2 3.94Å; Q105-F134 HydrophobicContact CB-CE2 3.81Å; Q105-F134 HydrophobicContact CB-CZ 4.47Å; Q105-F134 HydrophobicContact CG-CD2 4.06Å; Q105-F134 HydrophobicContact CG-CE2 3.41Å; Q105-F134 VanDerWaalsContact CG-CE2 3.41Å; Q105-F134 HydrophobicContact CG-CZ 3.74Å; Q105-F134 VanDerWaalsContact OE1-CE2 3.29Å; F132-F134 PolarHBondContact O-N 2.85Å; F132-F134 VanDerWaalsContact O-N 3.11Å; F134-K136 PolarHBondContact O-N 2.84Å
135	F	56	Low	54.5	Low	105 Å²	105	110.9 Å²	110.9	46%	0.461	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-70.9	-8.1	175.8	-77.5	-85.7	0	0	0	113.4	F132 D133 I138	F132-F135 HydrophobicContact CD1-CD2 4.43Å; F132-F135 PolarHBondContact O-N 2.94Å; F132-F135 VanDerWaalsContact O-N 3.17Å; D133-F135 VanDerWaalsContact C-N 3.3Å; D133-F135 PolarHBondContact O-N 2.7Å; F135-I138 HydrophobicContact CD1-CD1 3.74Å; F135-I138 HydrophobicContact CE1-CD1 4.3Å
136	K	54.3	Low	54.5	Low	158 Å²	158	113 Å²	113	69%	0.687	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-81	-19	-176.6	-146.5	-177.9	177.7	166.7	0	113.9	D133 F134 R143	D133-K136 WeakPolarHBondContact O-CB 3.27Å; D133-K136 PolarHBondContact O-N 2.8Å; F134-K136 PolarHBondContact O-N 2.84Å; K136-R143 PolarHBondContact O-NH2 2.69Å
137	F	55.1	Low	54.1	Low	202 Å²	202	114 Å²	114	89%	0.886	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-96	2.4	179.1	-144.5	-97.7	0	0	0	114.1
138	I	58	Low	53.6	Low	45 Å²	45	122.3 Å²	122.3	23%	0.231	64%	0.643	C	S	.	*	S	Bend	trans	-76.1	125.1	167.6	-60.1	177.2	0	0	0	107	F135 L140 L142 R143	F135-I138 HydrophobicContact CD1-CD1 3.74Å; F135-I138 HydrophobicContact CE1-CD1 4.3Å; I138-L140 PolarHBondContact O-N 2.87Å; I138-L142 HydrophobicContact CG2-CB 3.43Å; I138-L142 VanDerWaalsContact CG2-CB 3.43Å; I138-L142 WeakPolarHBondContact CG2-O 3.39Å; I138-R143 HydrophobicContact CB-CG 4.41Å; I138-R143 HydrophobicContact CG2-CG 4.32Å
139	P	56.4	Low	53	Low	86 Å²	86	121.2 Å²	121.2	56%	0.558	67%	0.671	S	S	*	*			trans	-47	141	171.9	-26.5	33.4	0	0	0	110	A141 L142 R143	P139-A141 PolarHBondContact O-N 2.97Å; P139-L142 HydrophobicContact CB-CD1 4.43Å; P139-L142 PolarHBondContact O-N 2.88Å; P139-R143 PolarHBondContact O-N 3.07Å
140	L	55.9	Low	53.1	Low	139 Å²	139	125.2 Å²	125.2	73%	0.728	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-51.5	-26.9	-178.2	-71.9	169.7	0	0	0	112.6	I138 L142	I138-L140 PolarHBondContact O-N 2.87Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 2.97Å
141	A	60.9	Low	53	Low	96 Å²	96	127.4 Å²	127.4	79%	0.793	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-70.1	-16.5	175.5	0	0	0	0	0	115.8	P139	P139-A141 PolarHBondContact O-N 2.97Å
142	L	51.6	Low	53.1	Low	126 Å²	126	124.9 Å²	124.9	66%	0.66	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-116.5	5.9	178.8	-80.7	100.2	0	0	0	113.2	I138 P139 L140 P144	I138-L142 HydrophobicContact CG2-CB 3.43Å; I138-L142 VanDerWaalsContact CG2-CB 3.43Å; I138-L142 WeakPolarHBondContact CG2-O 3.39Å; P139-L142 HydrophobicContact CB-CD1 4.43Å; P139-L142 PolarHBondContact O-N 2.88Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 2.97Å; L142-P144 WeakPolarHBondContact O-CD 3.3Å
143	R	59.5	Low	53.5	Low	109 Å²	109	123.4 Å²	123.4	41%	0.411	69%	0.691	S	S	.	*	S	Bend	trans	-69.3	120.4	171.2	-75.8	-171.7	-178.4	168.9	5.7	108.1	K136 I138 P139 A145	K136-R143 PolarHBondContact O-NH2 2.69Å; I138-R143 HydrophobicContact CB-CG 4.41Å; I138-R143 HydrophobicContact CG2-CG 4.32Å; P139-R143 PolarHBondContact O-N 3.07Å; R143-A145 PolarHBondContact O-N 3.12Å; R143-A145 VanDerWaalsContact O-N 3.1Å
144	P	58.2	Low	53.5	Low	92 Å²	92	125.1 Å²	125.1	60%	0.597	70%	0.702	S	S	*	*			trans	-58.2	124.3	171.6	24.7	-31.8	0	0	0	107.3	L142 S146	L142-P144 WeakPolarHBondContact O-CD 3.3Å; P144-S146 PolarHBondContact O-N 3.43Å
145	A	52.6	Low	53.7	Low	96 Å²	96	126.5 Å²	126.5	79%	0.793	72%	0.718	S	S	*	*			trans	-54.4	108	169.5	0	0	0	0	0	106.9	R143 S147	R143-A145 PolarHBondContact O-N 3.12Å; R143-A145 VanDerWaalsContact O-N 3.1Å; A145-S147 PolarHBondContact O-N 3.28Å
146	S	55.6	Low	53.6	Low	120 Å²	120	128 Å²	128	84%	0.839	74%	0.737	S	S	*	*			trans	-68.8	80	165.3	-178.9	0	0	0	0	105.9	P144 R148	P144-S146 PolarHBondContact O-N 3.43Å; S146-R148 PolarHBondContact O-N 2.83Å; S146-R148 VanDerWaalsContact O-N 3.12Å
147	S	48.2	Very low	53.5	Low	112 Å²	112	125.7 Å²	125.7	78%	0.783	74%	0.74	S	S	*	*			trans	-58.2	117.9	172.6	-172.5	0	0	0	0	107.6	A145	A145-S147 PolarHBondContact O-N 3.28Å
148	R	43.7	Very low	53.4	Low	234 Å²	234	119.3 Å²	119.3	88%	0.883	73%	0.728	S	S	*	*			trans	-37.4	147	163.9	-72.3	167.4	157.9	172.3	-7.6	112.3	S146	S146-R148 PolarHBondContact O-N 2.83Å; S146-R148 VanDerWaalsContact O-N 3.12Å
149	A	40	Very low	53	Low	177 Å²	177	126.1 Å²	126.1	100%	1.463	77%	0.774	S	S	*	*				164.9	0	128.6	0	0	0	0	0	108.1

Retrieved 149 of 149 residues in 132.3 ms (Link to these results)

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