A0A5K4FD85_SCHMA Loading...

UBA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 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	46.4	Very low	48.7	Very low	231 Å²	231	157 Å²	157	100%	1.138	84%	0.839	S	S	*	*				0	88.1	0	-77.6	-59.5	-117.5	0	0	105.7
2	D	41.1	Very low	47.9	Very low	135 Å²	135	162.7 Å²	162.7	72%	0.722	84%	0.843	S	S	*	*			trans	-107.5	129.5	-149.1	-66.9	-88.1	0	0	0	111.4
3	L	46.4	Very low	47.5	Very low	151 Å²	151	162.2 Å²	162.2	79%	0.791	84%	0.842	S	S	*	*			trans	37.5	87.9	143.7	-69.2	155.4	0	0	0	117.8	L5	L3-L5 PolarHBondContact O-N 3.43Å
4	F	53.8	Low	47	Very low	214 Å²	214	162.6 Å²	162.6	94%	0.939	84%	0.838	S	S	*	*			trans	-88	24.6	172.8	-112.6	-88.2	0	0	0	114.8
5	L	54.8	Low	47	Very low	160 Å²	160	160.9 Å²	160.9	84%	0.838	83%	0.83	S	S	*	*			trans	-107	22.1	-168.5	-94.9	163.6	0	0	0	116.2	L3	L3-L5 PolarHBondContact O-N 3.43Å
6	S	45.5	Very low	46.6	Very low	106 Å²	106	158.6 Å²	158.6	74%	0.741	82%	0.819	S	S	*	*			trans	-122.4	70.3	-174.6	-55.8	0	0	0	0	112.3
7	S	48.2	Very low	45.8	Very low	116 Å²	116	162.4 Å²	162.4	81%	0.811	82%	0.823	S	S	*	*			trans	-175.5	87.1	161.4	-82.6	0	0	0	0	111.9
8	L	47.3	Very low	45.8	Very low	164 Å²	164	163.7 Å²	163.7	86%	0.859	83%	0.828	S	S	*	*			trans	-156.4	61.9	155.8	-102.7	157.8	0	0	0	108.2
9	Q	45.1	Very low	45.7	Very low	191 Å²	191	165.5 Å²	165.5	89%	0.893	83%	0.83	S	S	*	*			trans	-94.5	105.5	170.3	-175.7	158.2	-37.3	0	0	107.8
10	L	54.3	Low	45.6	Very low	143 Å²	143	165.2 Å²	165.2	75%	0.749	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-82.7	130.5	174.1	-77.5	120.4	0	0	0	110.1	Y12	L10-Y12 PolarHBondContact O-N 3.49Å
11	P	53.1	Low	45.9	Very low	116 Å²	116	163.1 Å²	163.1	75%	0.753	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-80.1	122.6	175.8	30.4	-29.8	0	0	0	110.7	N13	P11-N13 PolarHBondContact O-N 3.34Å
12	Y	38.5	Very low	45.7	Very low	225 Å²	225	160.5 Å²	160.5	88%	0.882	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-61.2	121.5	155.6	-82	-98.3	0	0	0	109	L10	L10-Y12 PolarHBondContact O-N 3.49Å
13	N	43.4	Very low	45.7	Very low	156 Å²	156	159.6 Å²	159.6	83%	0.834	81%	0.808	S	S	*	*			trans	-157.5	100.9	153.2	-101.5	-38.6	0	0	0	111.7	P11	P11-N13 PolarHBondContact O-N 3.34Å
14	H	40.6	Very low	45.6	Very low	168 Å²	168	161.4 Å²	161.4	78%	0.778	81%	0.806	S	S	*	*			trans	-2.1	131	137.1	-122.9	-94.3	0	0	0	116.8
15	L	46.2	Very low	44.9	Very low	138 Å²	138	158.1 Å²	158.1	72%	0.723	79%	0.793	S	S	*	*				154.7	120.6	123.5	-78	157.3	0	0	0	113.9
16	N	40.9	Very low	44.2	Very low	123 Å²	123	155.4 Å²	155.4	66%	0.658	79%	0.794	S	S	*	*			trans	67.7	112.1	136.3	-67.3	-28.6	0	0	0	122.7
17	Y	33.5	Very low	44.1	Very low	224 Å²	224	159.4 Å²	159.4	88%	0.878	79%	0.794	S	S	*	*				27.2	97.7	127.2	-75.7	-89.5	0	0	0	117.1
18	M	46.2	Very low	43.7	Very low	185 Å²	185	158.6 Å²	158.6	91%	0.911	80%	0.795	S	S	*	*			trans	-127	93.7	157.6	-84.8	-78	176.6	0	0	109.8
19	K	43.5	Very low	43.8	Very low	199 Å²	199	156.8 Å²	156.8	87%	0.865	79%	0.79	S	S	*	*			trans	10.4	118.8	142.3	-129.8	167.1	178.7	179.2	0	117
20	L	42.8	Very low	43.6	Very low	159 Å²	159	153.9 Å²	153.9	83%	0.832	79%	0.786	S	S	*	*			trans	-70.6	126.8	169	-147.6	79.9	0	0	0	110.6
21	P	51.9	Low	43.1	Very low	121 Å²	121	153.4 Å²	153.4	79%	0.786	79%	0.789	S	S	*	*			trans	-87.2	113.1	163.1	28.8	-23.2	0	0	0	109.6
22	Q	42.4	Very low	42.7	Very low	177 Å²	177	153.3 Å²	153.3	83%	0.827	79%	0.786	S	S	*	*			trans	-66.3	151.8	158.5	-70.4	-167.3	-6	0	0	109.5
23	N	42.1	Very low	43	Very low	116 Å²	116	151.8 Å²	151.8	62%	0.62	78%	0.78	S	S	*	*			trans	94.8	109.7	161.8	-143.3	-20.8	0	0	0	115.5
24	Y	43.4	Very low	43.5	Very low	189 Å²	189	151 Å²	151	74%	0.741	77%	0.774	S	S	*	*				166.5	123	103	-93.5	-80.8	0	0	0	110.7
25	Q	38.7	Very low	44.1	Very low	144 Å²	144	147.3 Å²	147.3	67%	0.673	77%	0.766	S	S	*	*			trans	27.9	99.1	147.3	-63.6	-168.3	-31	0	0	118.5
26	A	40.7	Very low	43.7	Very low	104 Å²	104	150.3 Å²	150.3	86%	0.86	77%	0.769	S	S	*	*			trans	-104.7	109.8	153.5	0	0	0	0	0	108.4	A28	A26-A28 PolarHBondContact O-N 3.25Å
27	Y	43.3	Very low	43.6	Very low	190 Å²	190	153.1 Å²	153.1	75%	0.745	78%	0.778	S	S	*	*			trans	-48.2	124.4	-179.3	-61.5	-92.4	0	0	0	112.1	T29	Y27-T29 PolarHBondContact O-N 3.36Å
28	A	39.6	Very low	44.2	Very low	99 Å²	99	149.1 Å²	149.1	82%	0.818	77%	0.767	S	S	*	*			trans	-66.2	100.9	168.5	0	0	0	0	0	108.8	A26 T30	A26-A28 PolarHBondContact O-N 3.25Å; A28-T30 PolarHBondContact O-N 3.05Å; A28-T30 VanDerWaalsContact O-N 3.17Å
29	T	49.2	Very low	43.8	Very low	126 Å²	126	145 Å²	145	77%	0.773	75%	0.754	S	S	*	*			trans	-74.8	104	168.4	50.7	0	0	0	0	108.6	Y27 T31	Y27-T29 PolarHBondContact O-N 3.36Å; T29-T31 PolarHBondContact O-N 3.36Å; T29-T31 VanDerWaalsContact O-N 3.16Å
30	T	41.2	Very low	43.4	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	74%	0.744	S	S	*	*			trans	-47.5	108.6	167.2	43.7	0	0	0	0	111.3	A28	A28-T30 PolarHBondContact O-N 3.05Å; A28-T30 VanDerWaalsContact O-N 3.17Å
31	T	44.6	Very low	43.4	Very low	133 Å²	133	144 Å²	144	82%	0.816	75%	0.747	S	S	*	*			trans	-91.7	102.6	157.2	-71.7	0	0	0	0	107.5	T29 Y33	T29-T31 PolarHBondContact O-N 3.36Å; T29-T31 VanDerWaalsContact O-N 3.16Å; T31-Y33 PolarHBondContact O-N 3.37Å; T31-Y33 VanDerWaalsContact O-N 3.16Å
32	T	45.1	Very low	42.7	Very low	114 Å²	114	146.8 Å²	146.8	70%	0.699	75%	0.75	S	S	*	*			trans	-62.7	105.9	171.8	-52.7	0	0	0	0	109	I34	T32-I34 HydrophobicContact CG2-CG1 4.12Å
33	Y	44.4	Very low	42.8	Very low	194 Å²	194	146.1 Å²	146.1	76%	0.761	75%	0.752	S	S	*	*			trans	-83.6	114.4	170.1	-178.8	-101.4	0	0	0	109.2	T31 P35	T31-Y33 PolarHBondContact O-N 3.37Å; T31-Y33 VanDerWaalsContact O-N 3.16Å; Y33-P35 HydrophobicContact CE1-CB 3.96Å; Y33-P35 HydrophobicContact CE1-CG 4.33Å; Y33-P35 WeakPolarHBondContact O-CD 2.97Å
34	I	52.8	Low	42.8	Very low	138 Å²	138	149.7 Å²	149.7	71%	0.708	76%	0.762	S	S	*	*			trans	-101.2	108	174.2	-57.1	174.5	0	0	0	107.2	T32 Y36	T32-I34 HydrophobicContact CG2-CG1 4.12Å; I34-Y36 PolarHBondContact O-N 2.78Å
35	P	53.5	Low	43.3	Very low	91 Å²	91	149.1 Å²	149.1	59%	0.591	77%	0.768	S	S	*	*			trans	-75.3	114.9	169.5	26.4	-28.2	0	0	0	109.8	Y33 Q37	Y33-P35 HydrophobicContact CE1-CB 3.96Å; Y33-P35 HydrophobicContact CE1-CG 4.33Å; Y33-P35 WeakPolarHBondContact O-CD 2.97Å; P35-Q37 PolarHBondContact O-N 3.3Å
36	Y	37.3	Very low	43.5	Very low	202 Å²	202	149.1 Å²	149.1	79%	0.792	77%	0.773	S	S	*	*			trans	-63.9	124.1	171.7	-156.5	-94.6	0	0	0	109.6	I34 Q38	I34-Y36 PolarHBondContact O-N 2.78Å; Y36-Q38 HydrophobicContact CD1-CG 4.12Å; Y36-Q38 HydrophobicContact CE1-CG 4.3Å
37	Q	38.9	Very low	44.1	Very low	181 Å²	181	151.9 Å²	151.9	85%	0.846	77%	0.772	S	S	*	*			trans	-71	127.9	173.5	-67.9	177.5	-21.7	0	0	109.8	P35	P35-Q37 PolarHBondContact O-N 3.3Å
38	Q	46.7	Very low	44.4	Very low	140 Å²	140	148.6 Å²	148.6	65%	0.654	77%	0.772	S	S	*	*			trans	-134.2	119.9	162.5	-87.4	-135.3	-10.5	0	0	109.9	Y36 Y40	Y36-Q38 HydrophobicContact CD1-CG 4.12Å; Y36-Q38 HydrophobicContact CE1-CG 4.3Å; Q38-Y40 HydrophobicContact CB-CD2 4.28Å; Q38-Y40 HydrophobicContact CB-CE2 3.73Å; Q38-Y40 HydrophobicContact CG-CE2 4.11Å; Q38-Y40 VanDerWaalsContact OE1-CE2 3.31Å
39	P	38.2	Very low	44.8	Very low	99 Å²	99	153.5 Å²	153.5	64%	0.643	78%	0.775	S	S	*	*			trans	-101.2	87.3	-167.4	37.1	-36.2	0	0	0	113.2
40	Y	35.1	Very low	45	Very low	167 Å²	167	155.5 Å²	155.5	66%	0.655	78%	0.78	S	S	*	*			trans	-145.7	132.9	175.8	-38.3	-80.8	0	0	0	113	Q38	Q38-Y40 HydrophobicContact CB-CD2 4.28Å; Q38-Y40 HydrophobicContact CB-CE2 3.73Å; Q38-Y40 HydrophobicContact CG-CE2 4.11Å; Q38-Y40 VanDerWaalsContact OE1-CE2 3.31Å
41	L	42.9	Very low	45.6	Very low	171 Å²	171	155.2 Å²	155.2	90%	0.895	78%	0.78	S	S	*	*			trans	87	83.8	170.2	-56.8	173.1	0	0	0	116.7	N43	L41-N43 PolarHBondContact O-N 3.49Å
42	Q	37.5	Very low	45.7	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	78%	0.779	S	S	*	*			trans	-41.3	122.6	152.3	-57.6	-179.9	17.1	0	0	111.5
43	N	43.9	Very low	45.3	Very low	163 Å²	163	154.7 Å²	154.7	87%	0.872	78%	0.783	S	S	*	*			trans	-142.7	105.2	146.9	-128.3	-5.6	0	0	0	108.9	L41 M45	L41-N43 PolarHBondContact O-N 3.49Å; N43-M45 PolarHBondContact O-N 3.47Å
44	K	42.1	Very low	45.2	Very low	191 Å²	191	150.7 Å²	150.7	83%	0.83	78%	0.784	S	S	*	*			trans	-70.3	110.6	179.3	-75.2	173.5	172.6	178.6	0	108.8
45	M	52.8	Low	44.7	Very low	176 Å²	176	149.2 Å²	149.2	87%	0.867	79%	0.786	S	S	*	*			trans	-107.5	105.2	152.7	-71.7	-154.2	-68.8	0	0	108.4	N43 L47	N43-M45 PolarHBondContact O-N 3.47Å; M45-L47 PolarHBondContact O-N 3.45Å
46	N	43.7	Very low	44.1	Very low	144 Å²	144	149.9 Å²	149.9	77%	0.77	79%	0.793	S	S	*	*			trans	-76.4	94.1	179.7	-158.5	-10	0	0	0	108	T48	N46-T48 VanDerWaalsContact C-N 3.34Å; N46-T48 PolarHBondContact O-N 3.19Å; N46-T48 VanDerWaalsContact O-N 3.12Å
47	L	53	Low	44.2	Very low	163 Å²	163	145.7 Å²	145.7	85%	0.853	79%	0.793	S	S	*	*			trans	-81.6	86.1	172.8	-68	172.3	0	0	0	108.3	M45 K49	M45-L47 PolarHBondContact O-N 3.45Å; L47-K49 PolarHBondContact O-N 2.86Å
48	T	50.6	Low	44.2	Very low	120 Å²	120	141.2 Å²	141.2	74%	0.736	79%	0.787	S	S	*	*			trans	-59.6	126.6	169	38.6	0	0	0	0	110.1	N46 L50	N46-T48 VanDerWaalsContact C-N 3.34Å; N46-T48 PolarHBondContact O-N 3.19Å; N46-T48 VanDerWaalsContact O-N 3.12Å; T48-L50 PolarHBondContact O-N 3.08Å
49	K	48.2	Very low	44	Very low	203 Å²	203	142.4 Å²	142.4	88%	0.883	80%	0.797	S	S	*	*			trans	-42.3	126	178.4	-66.2	168.2	176	179	0	112.7	L47	L47-K49 PolarHBondContact O-N 2.86Å
50	L	52.7	Low	43.9	Very low	168 Å²	168	143.7 Å²	143.7	88%	0.88	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-62.2	130.9	164.5	-77.7	155.1	0	0	0	109.7	T48	T48-L50 PolarHBondContact O-N 3.08Å
51	P	53.9	Low	44	Very low	123 Å²	123	144 Å²	144	80%	0.799	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-75.9	128.5	168.1	6.7	7	0	0	0	110.2
52	S	45.6	Very low	44.3	Very low	113 Å²	113	147.9 Å²	147.9	79%	0.79	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-61.8	141.3	169.4	41.7	0	0	0	0	111.8
53	P	37.4	Very low	44.3	Very low	122 Å²	122	144.8 Å²	144.8	79%	0.792	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-83.4	125.7	-175.1	33.4	-30.5	0	0	0	110
54	S	43	Very low	44	Very low	110 Å²	110	144.8 Å²	144.8	77%	0.769	82%	0.82	S	S	*	*			trans	-160.8	138	160.3	-78.2	0	0	0	0	110.6
55	S	41.7	Very low	43.8	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	82%	0.817	S	S	*	*			trans	69.3	105.3	162.4	46.9	0	0	0	0	119.3
56	S	40.3	Very low	43.3	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	81%	0.812	S	S	*	*				80.4	119.2	125.8	68.7	0	0	0	0	119.8
57	S	39.7	Very low	43	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	81%	0.812	S	S	*	*			trans	107.2	132.2	133.7	-55	0	0	0	0	118.1
58	A	39	Very low	42.6	Very low	86 Å²	86	132.6 Å²	132.6	71%	0.711	81%	0.807	S	S	*	*			trans	79.9	95.6	155.9	0	0	0	0	0	116.7
59	L	41.7	Very low	42.6	Very low	166 Å²	166	135.2 Å²	135.2	87%	0.869	82%	0.815	S	S	*	*				75.9	107.3	91.3	-72.9	173	0	0	0	113
60	S	37.6	Very low	42.3	Very low	125 Å²	125	136.9 Å²	136.9	87%	0.874	82%	0.816	S	S	*	*				175.9	113.6	123.4	-77.9	0	0	0	0	111.8
61	L	36.8	Very low	41.5	Very low	175 Å²	175	133.9 Å²	133.9	92%	0.916	81%	0.809	S	S	*	*			trans	-87.1	130.5	164	-74.9	160.9	0	0	0	109.1
62	R	50	Low	40.8	Very low	251 Å²	251	133.4 Å²	133.4	95%	0.947	81%	0.809	S	S	*	*			trans	178.9	137.8	161.4	-100.1	163	-176.9	-138.2	0.5	106.2
63	S	35.9	Very low	40.7	Very low	114 Å²	114	133.2 Å²	133.2	80%	0.797	81%	0.808	S	S	*	*			cis	-166.9	145.4	-1.8	-169.4	0	0	0	0	106
64	L	38.3	Very low	40.9	Very low	163 Å²	163	132.2 Å²	132.2	85%	0.853	80%	0.803	S	S	*	*			trans	-75.6	150.7	169.2	-70.9	108.5	0	0	0	111.3
65	S	38.9	Very low	40.8	Very low	109 Å²	109	132 Å²	132	76%	0.762	80%	0.801	S	S	*	*			trans	175.8	105.8	148.5	-74.2	0	0	0	0	109.3
66	S	40.4	Very low	40.9	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	81%	0.806	S	S	*	*				56.7	124.5	102.6	66	0	0	0	0	113.7
67	S	37.6	Very low	41.1	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	81%	0.812	S	S	*	*				167.5	173.4	57.1	44.6	0	0	0	0	109.8
68	A	44.3	Very low	41.1	Very low	89 Å²	89	140.2 Å²	140.2	74%	0.736	81%	0.81	S	S	*	*			trans	80.7	123.4	170.6	0	0	0	0	0	115.1
69	L	51.1	Low	41.3	Very low	176 Å²	176	141.3 Å²	141.3	92%	0.921	81%	0.813	S	S	*	*				-150.3	134.7	65.5	-71.1	164	0	0	0	112.4
70	R	41.6	Very low	41.2	Very low	238 Å²	238	138.4 Å²	138.4	90%	0.898	81%	0.807	S	S	*	*			trans	-91.1	134.7	172.2	-92.6	170.8	118.1	-143.2	5.4	110.7
71	S	35.9	Very low	41.3	Very low	105 Å²	105	138.4 Å²	138.4	73%	0.734	81%	0.807	S	S	*	*				38.7	125	127.8	-43.9	0	0	0	0	121.2
72	S	40	Very low	41.3	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	80%	0.801	S	S	*	*			trans	-169.7	108.4	143.8	-68.6	0	0	0	0	107.8
73	S	43.6	Very low	40.9	Very low	110 Å²	110	129 Å²	129	77%	0.769	79%	0.794	S	S	*	*				48.9	131.7	102.6	63.5	0	0	0	0	113.9
74	S	42.5	Very low	41.2	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	80%	0.795	S	S	*	*			cis	177.1	161.1	28.4	42.7	0	0	0	0	110.3
75	S	39.3	Very low	40.9	Very low	104 Å²	104	127.9 Å²	127.9	73%	0.727	79%	0.793	S	S	*	*			trans	71.2	128.4	153.3	-49	0	0	0	0	117.3
76	L	44.9	Very low	41.2	Very low	161 Å²	161	130.2 Å²	130.2	84%	0.843	80%	0.796	S	S	*	*				-162.8	137.3	61	-76.2	160.1	0	0	0	112.5
77	R	44.4	Very low	41.1	Very low	229 Å²	229	132.9 Å²	132.9	86%	0.864	80%	0.796	S	S	*	*			trans	4.7	136.1	141.1	-68.2	171.3	157.2	-163.6	-7.2	117.5
78	S	40.4	Very low	41.1	Very low	110 Å²	110	132.7 Å²	132.7	77%	0.769	79%	0.794	S	S	*	*				-172.2	143.6	73	-52.6	0	0	0	0	113.6
79	S	41.4	Very low	40.9	Very low	109 Å²	109	134 Å²	134	76%	0.762	79%	0.789	S	S	*	*			trans	-22.4	145.1	158.6	39.9	0	0	0	0	117.7
80	S	40	Very low	40.3	Very low	106 Å²	106	134 Å²	134	74%	0.741	79%	0.785	S	S	*	*				-173	131.8	66.5	-37.9	0	0	0	0	107.1
81	S	39.7	Very low	40.1	Very low	124 Å²	124	130.3 Å²	130.3	87%	0.867	78%	0.781	S	S	*	*				171.9	134.1	89	-56.9	0	0	0	0	107.1
82	S	37.6	Very low	40.2	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	79%	0.785	S	S	*	*			trans	-116.9	130	-170.9	43.2	0	0	0	0	110.9
83	S	40.2	Very low	40.4	Very low	113 Å²	113	134.3 Å²	134.3	79%	0.79	79%	0.785	S	S	*	*			trans	159.5	125.6	155.1	49.5	0	0	0	0	107.5
84	T	43.9	Very low	40.2	Very low	133 Å²	133	138.8 Å²	138.8	82%	0.816	79%	0.791	S	S	*	*			cis	-165	134.7	13.3	20.6	0	0	0	0	105.7
85	C	31.6	Very low	40.1	Very low	122 Å²	122	141.8 Å²	141.8	82%	0.824	79%	0.794	S	S	*	*			trans	-74.6	139.6	168.3	44.6	0	0	0	0	110.4
86	I	45.8	Very low	40.1	Very low	158 Å²	158	147.6 Å²	147.6	81%	0.81	80%	0.8	S	S	*	*			trans	-121.6	103.5	155	-61.3	-173.7	0	0	0	107.5
87	Q	37.2	Very low	40	Very low	164 Å²	164	147.1 Å²	147.1	77%	0.766	80%	0.796	S	S	*	*			trans	-79.5	122	162.2	179.3	175.6	8.8	0	0	107.1
88	S	37.3	Very low	40	Very low	107 Å²	107	142.5 Å²	142.5	75%	0.748	79%	0.788	S	S	*	*			trans	-138.7	106.8	165	56.4	0	0	0	0	109.5
89	N	40.8	Very low	40.1	Very low	118 Å²	118	142.6 Å²	142.6	63%	0.631	78%	0.784	S	S	*	*			trans	-59	156.2	175.4	-78.4	-29.8	0	0	0	113
90	Q	37.7	Very low	39.8	Very low	176 Å²	176	145 Å²	145	82%	0.822	79%	0.789	S	S	*	*			trans	57.7	115	144.3	-68.4	-179.9	28.7	0	0	117.6
91	I	39	Very low	40	Very low	159 Å²	159	147.7 Å²	147.7	82%	0.815	79%	0.789	S	S	*	*				-170.5	116.6	122.4	-87.8	144.6	0	0	0	105.6	D93	I91-D93 PolarHBondContact O-N 3.1Å
92	N	36.9	Very low	40	Very low	153 Å²	153	153.2 Å²	153.2	82%	0.818	79%	0.793	S	S	*	*			trans	-59.5	129.5	162	-72.4	-54.1	0	0	0	107.3
93	D	43.6	Very low	40	Very low	149 Å²	149	150.9 Å²	150.9	80%	0.797	79%	0.786	S	S	*	*			trans	-173.1	135.5	135.8	-92.6	-38.7	0	0	0	112.3	I91 Q95	I91-D93 PolarHBondContact O-N 3.1Å; D93-Q95 PolarHBondContact O-N 3.42Å
94	K	39.4	Very low	40.1	Very low	203 Å²	203	153.9 Å²	153.9	88%	0.883	79%	0.793	S	S	*	*			trans	-66.4	110.7	174.6	-62.7	167.2	177.8	178.4	0	109
95	Q	42	Very low	40.3	Very low	165 Å²	165	157 Å²	157	77%	0.771	80%	0.795	S	S	*	*			trans	-168.3	97.3	162	-106.1	167.9	77.8	0	0	108.1	D93	D93-Q95 PolarHBondContact O-N 3.42Å
96	R	37.6	Very low	40.7	Very low	226 Å²	226	162.6 Å²	162.6	85%	0.853	80%	0.799	S	S	*	*				39.1	86.7	91.1	-158.6	-178.3	-174.2	-166.7	1.7	113.2
97	I	44.7	Very low	40.7	Very low	150 Å²	150	161 Å²	161	77%	0.769	79%	0.792	S	S	*	*			trans	-133.9	90.1	166.4	-62.2	174.4	0	0	0	104.4
98	L	43	Very low	40.8	Very low	133 Å²	133	158.1 Å²	158.1	70%	0.696	79%	0.79	S	S	*	*				29.6	105.1	87.8	-74.3	173.3	0	0	0	112.6
99	T	42	Very low	41.2	Very low	111 Å²	111	159.9 Å²	159.9	68%	0.681	79%	0.786	S	S	*	*				177.4	106.8	118.2	27.2	0	0	0	0	111	H101	T99-H101 PolarHBondContact O-N 3.14Å
100	N	36.2	Very low	41	Very low	160 Å²	160	165.3 Å²	165.3	86%	0.856	80%	0.8	S	S	*	*			trans	-69.2	107.5	149.4	-75.3	-40.1	0	0	0	106.8
101	H	44.1	Very low	41.5	Very low	163 Å²	163	161.8 Å²	161.8	76%	0.755	79%	0.79	S	S	*	*			trans	-136.5	111.8	162	-88.3	-68.8	0	0	0	109.6	T99 G103	T99-H101 PolarHBondContact O-N 3.14Å; H101-G103 PolarHBondContact O-N 3.44Å
102	Y	38.6	Very low	41.7	Very low	240 Å²	240	161.3 Å²	161.3	94%	0.941	80%	0.795	S	S	*	*			trans	-56.3	101.8	159.3	-71	-92.2	0	0	0	108.2
103	G	39.4	Very low	42	Very low	65 Å²	65	157.8 Å²	157.8	67%	0.67	78%	0.782	S	S	*	*			trans	-125.8	97.4	176.1	0	0	0	0	0	109.7	H101 K105	H101-G103 PolarHBondContact O-N 3.44Å; G103-K105 VanDerWaalsContact C-N 3.31Å; G103-K105 PolarHBondContact O-N 3.44Å
104	L	42.2	Very low	42.1	Very low	177 Å²	177	156.6 Å²	156.6	93%	0.927	78%	0.784	S	S	*	*			trans	-61	88.3	167.4	-82.9	146.3	0	0	0	109.8
105	K	46.8	Very low	42.8	Very low	198 Å²	198	153.7 Å²	153.7	86%	0.861	78%	0.775	S	S	*	*			trans	-95.5	101.1	161.5	-91.2	-172.7	172.3	-175.9	0	109	G103 N107	G103-K105 VanDerWaalsContact C-N 3.31Å; G103-K105 PolarHBondContact O-N 3.44Å; K105-N107 PolarHBondContact O-N 3.18Å; K105-N107 VanDerWaalsContact O-N 3.1Å
106	R	40.7	Very low	43	Very low	239 Å²	239	152 Å²	152	90%	0.902	77%	0.772	S	S	*	*			trans	-59	104.3	162.4	-71.6	176.7	-80.3	164.1	-4.4	108.2
107	N	44.7	Very low	43.7	Very low	124 Å²	124	146 Å²	146	66%	0.663	76%	0.756	S	S	*	*			trans	-120	95.1	160.9	-167	-7.9	0	0	0	107.6	K105 Q109	K105-N107 PolarHBondContact O-N 3.18Å; K105-N107 VanDerWaalsContact O-N 3.1Å; N107-Q109 VanDerWaalsContact C-N 3.35Å; N107-Q109 PolarHBondContact O-N 3.41Å; N107-Q109 VanDerWaalsContact O-N 3.08Å
108	S	39.3	Very low	44.2	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	75%	0.749	S	S	*	*			trans	-72.3	90.8	170.5	-66.3	0	0	0	0	108.8
109	Q	47.5	Very low	44.5	Very low	145 Å²	145	147.5 Å²	147.5	68%	0.678	75%	0.754	S	S	*	*			trans	-122.7	102	155.5	-75.9	-177.1	-21.5	0	0	106.9	N107 T111	N107-Q109 VanDerWaalsContact C-N 3.35Å; N107-Q109 PolarHBondContact O-N 3.41Å; N107-Q109 VanDerWaalsContact O-N 3.08Å; Q109-T111 VanDerWaalsContact C-N 3.25Å; Q109-T111 PolarHBondContact O-N 2.69Å
110	Y	36.5	Very low	45.1	Very low	231 Å²	231	148.5 Å²	148.5	91%	0.906	76%	0.755	S	S	*	*			trans	-61	91.1	167.1	-74.3	-92	0	0	0	108.1
111	T	46.6	Very low	45.6	Very low	103 Å²	103	146.9 Å²	146.9	63%	0.632	75%	0.753	S	S	*	*			trans	-104.1	113.2	161.3	65.4	0	0	0	0	106.8	Q109 S113	Q109-T111 VanDerWaalsContact C-N 3.25Å; Q109-T111 PolarHBondContact O-N 2.69Å; T111-S113 PolarHBondContact O-N 2.66Å
112	T	43.3	Very low	45.6	Very low	149 Å²	149	145.9 Å²	145.9	91%	0.914	75%	0.753	S	S	*	*			trans	-63.1	77.5	164.6	49.7	0	0	0	0	108.6
113	S	44.4	Very low	45.9	Very low	78 Å²	78	139.3 Å²	139.3	55%	0.545	74%	0.742	S	S	.	*			trans	-87	113.7	167.5	59.7	0	0	0	0	107.2	T111 M115	T111-S113 PolarHBondContact O-N 2.66Å; S113-M115 VanDerWaalsContact C-N 3.34Å; S113-M115 PolarHBondContact O-N 2.7Å
114	C	45.5	Very low	46	Very low	124 Å²	124	141.4 Å²	141.4	84%	0.838	75%	0.747	S	S	*	*			trans	-55	98.2	168.1	41.6	0	0	0	0	108.6	N116	C114-N116 VanDerWaalsContact C-N 3.31Å; C114-N116 PolarHBondContact O-N 3.16Å
115	M	54.6	Low	45.6	Very low	142 Å²	142	138.8 Å²	138.8	70%	0.7	74%	0.742	S	S	*	*			trans	-66.6	92.1	173.9	-78.5	-148.8	-172.9	0	0	109.3	S113 L117	S113-M115 VanDerWaalsContact C-N 3.34Å; S113-M115 PolarHBondContact O-N 2.7Å; M115-L117 VanDerWaalsContact C-N 3.25Å; M115-L117 HydrophobicContact CB-CD1 3.73Å; M115-L117 HydrophobicContact CB-CG 4.04Å; M115-L117 HydrophobicContact CG-CD1 4.42Å; M115-L117 PolarHBondContact O-N 3.48Å; M115-L117 HydrophobicContact SD-CD1 3.78Å; M115-L117 HydrophobicContact SD-CG 4.24Å
116	N	44.3	Very low	45.3	Very low	129 Å²	129	138.2 Å²	138.2	69%	0.69	74%	0.742	S	S	*	*			trans	-77.4	81.4	167	-146	-27.1	0	0	0	107.9	C114 T118	C114-N116 VanDerWaalsContact C-N 3.31Å; C114-N116 PolarHBondContact O-N 3.16Å; N116-T118 PolarHBondContact O-N 3.14Å; N116-T118 PolarHBondContact OD1-OG1 3.44Å
117	L	53.5	Low	45.3	Very low	100 Å²	100	131 Å²	131	52%	0.524	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82	15.6	-173.2	-86.8	150.6	0	0	0	114.2	M115 R119	M115-L117 VanDerWaalsContact C-N 3.25Å; M115-L117 HydrophobicContact CB-CD1 3.73Å; M115-L117 HydrophobicContact CB-CG 4.04Å; M115-L117 HydrophobicContact CG-CD1 4.42Å; M115-L117 PolarHBondContact O-N 3.48Å; M115-L117 HydrophobicContact SD-CD1 3.78Å; M115-L117 HydrophobicContact SD-CG 4.24Å; L117-R119 PolarHBondContact O-N 3.04Å
118	T	55.7	Low	44.8	Very low	102 Å²	102	131.6 Å²	131.6	63%	0.626	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-6.8	175.1	43.2	0	0	0	0	113.5	N116	N116-T118 PolarHBondContact O-N 3.14Å; N116-T118 PolarHBondContact OD1-OG1 3.44Å
119	R	49.5	Very low	45	Very low	214 Å²	214	134.3 Å²	134.3	81%	0.808	74%	0.737	S	S	*	*			trans	-114.3	84.7	177.3	-55.5	-174.1	-145.3	-150.8	3.9	109.4	L117	L117-R119 PolarHBondContact O-N 3.04Å
120	L	53.2	Low	44.7	Very low	132 Å²	132	134 Å²	134	69%	0.691	74%	0.741	S	S	*	*			trans	-57.3	140.9	151.6	-101.5	82	0	0	0	107.2	N122	L120-N122 PolarHBondContact O-N 2.86Å
121	P	47.6	Very low	45.6	Very low	125 Å²	125	132.6 Å²	132.6	81%	0.812	74%	0.739	S	S	*	*			trans	-70.3	82.8	170.1	30.7	-31.4	0	0	0	107.5	S123	P121-S123 PolarHBondContact O-N 3.34Å
122	N	44	Very low	46.3	Very low	143 Å²	143	134.4 Å²	134.4	77%	0.765	75%	0.745	S	S	*	*			trans	-74	109.3	164.5	-106.7	11.4	0	0	0	106.9	L120	L120-N122 PolarHBondContact O-N 2.86Å
123	S	44.4	Very low	47.9	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	74%	0.744	S	S	*	*			trans	-46.9	146	157	51.7	0	0	0	0	109.9	P121	P121-S123 PolarHBondContact O-N 3.34Å
124	S	42.3	Very low	49.8	Very low	110 Å²	110	135 Å²	135	77%	0.769	73%	0.73	S	S	*	*	S	Bend	trans	76.2	101.3	173.8	70.7	0	0	0	0	117.3	H126	S124-H126 PolarHBondContact O-N 2.94Å
125	C	32.9	Very low	51.9	Low	122 Å²	122	133.7 Å²	133.7	82%	0.824	71%	0.714	S	S	*	*			trans	-8.8	117.7	141.6	-70.2	0	0	0	0	115.6
126	H	40.3	Very low	53.7	Low	185 Å²	185	129 Å²	129	86%	0.856	69%	0.692	S	S	*	*			trans	-167.4	102.2	134.3	-106.6	49.7	0	0	0	107.3	S124	S124-H126 PolarHBondContact O-N 2.94Å
127	S	40.2	Very low	56	Low	87 Å²	87	126.6 Å²	126.6	61%	0.608	69%	0.685	S	S	*	*				85.1	99.2	96.4	-166.6	0	0	0	0	112.6
128	N	36	Very low	57.8	Low	137 Å²	137	124.2 Å²	124.2	73%	0.733	68%	0.68	S	S	*	*	S	Bend	trans	34.6	123.2	142.3	-64	-14.7	0	0	0	119.9
129	N	42.8	Very low	59.6	Low	161 Å²	161	120.6 Å²	120.6	86%	0.861	66%	0.657	S	S	*	*			trans	98.5	8.4	158	-54.9	-23.1	0	0	0	119.7
130	N	41.9	Very low	61.7	Low	139 Å²	139	111.2 Å²	111.2	74%	0.743	62%	0.622	S	S	*	*			trans	-108.8	121	-172.9	-64.3	-42.9	0	0	0	111.9	D132	N130-D132 PolarHBondContact O-N 2.94Å
131	K	55.2	Low	63.7	Low	201 Å²	201	109.4 Å²	109.4	87%	0.874	61%	0.612	S	S	*	*			trans	-33	124	162.7	-70.7	171.3	175.1	174.3	0	108.8	Q133	K131-Q133 PolarHBondContact O-N 3.36Å
132	D	61	Low	65.8	Low	142 Å²	142	109 Å²	109	76%	0.759	59%	0.594	S	S	*	*			trans	-41.4	113.2	175.6	-68.9	-52.2	0	0	0	108.8	N130 I134	N130-D132 PolarHBondContact O-N 2.94Å; D132-I134 PolarHBondContact O-N 2.79Å
133	Q	76.9	Confident	68.1	Low	191 Å²	191	102.1 Å²	102.1	89%	0.893	56%	0.558	S	S	*	*			trans	-67.1	101.4	-175.2	-173.9	-176.6	36.9	0	0	107.6	K131 N135	K131-Q133 PolarHBondContact O-N 3.36Å; Q133-N135 PolarHBondContact O-N 2.85Å; Q133-N135 VanDerWaalsContact O-N 3.12Å
134	I	84	Confident	70.4	Confident	47 Å²	47	102.7 Å²	102.7	24%	0.241	55%	0.545	C	S	.	.			trans	-65.7	116.1	178.5	-60.8	155.8	0	0	0	107.5	D132 I136 I139 I159 N163	D132-I134 PolarHBondContact O-N 2.79Å; I134-I136 VanDerWaalsContact C-N 3.27Å; I134-I136 HydrophobicContact CG2-CG1 4.2Å; I134-I136 PolarHBondContact O-N 3.27Å; I134-I139 HydrophobicContact CG2-CD1 3.67Å; I134-I159 HydrophobicContact CG2-CG2 3.64Å; I134-N163 HydrophobicContact CD1-CB 4.37Å
135	N	90.4	Very high	72.8	Confident	97 Å²	97	105.1 Å²	105.1	52%	0.519	54%	0.543	S	S	.	.			trans	-77.6	82.6	173.6	-167	-33	0	0	0	109.3	Q133 S137 A138 I139	Q133-N135 PolarHBondContact O-N 2.85Å; Q133-N135 VanDerWaalsContact O-N 3.12Å; N135-S137 VanDerWaalsContact C-N 3.27Å; N135-S137 PolarHBondContact O-N 3.02Å; N135-A138 HydrophobicContact CB-CB 4.03Å; N135-A138 PolarHBondContact O-N 3.37Å; N135-A138 WeakPolarHBondContact OD1-CB 3.36Å; N135-A138 PolarHBondContact OD1-N 3.12Å; N135-I139 PolarHBondContact O-N 3.13Å
136	I	91.6	Very high	75.6	Confident	43 Å²	43	103.2 Å²	103.2	22%	0.221	52%	0.523	C	S	.	.	H	α-helix	trans	-54.9	-45	-177	-60.5	175.6	0	0	0	110.5	I134 A138 I139 I140 I159 Q160	I134-I136 VanDerWaalsContact C-N 3.27Å; I134-I136 HydrophobicContact CG2-CG1 4.2Å; I134-I136 PolarHBondContact O-N 3.27Å; I136-A138 PolarHBondContact O-N 3.07Å; I136-I139 PolarHBondContact O-N 2.88Å; I136-I139 VanDerWaalsContact O-N 3.13Å; I136-I140 HydrophobicContact CG2-CD1 3.78Å; I136-I140 HydrophobicContact CG2-CG1 4.24Å; I136-I140 WeakPolarHBondContact O-CG1 3.48Å; I136-I140 PolarHBondContact O-N 3.33Å; I136-I159 HydrophobicContact CB-CG2 4.41Å; I136-I159 HydrophobicContact CG1-CG2 4.01Å; I136-I159 HydrophobicContact CG2-CB 4.47Å; I136-I159 HydrophobicContact CG2-CD1 3.91Å; I136-I159 HydrophobicContact CG2-CG2 4.33Å; I136-Q160 HydrophobicContact CD1-CG 3.88Å
137	S	92.7	Very high	78	Confident	79 Å²	79	96.9 Å²	96.9	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-60.2	-43.5	-179	-51.5	0	0	0	0	112.5	N135 I139 I140 I141	N135-S137 VanDerWaalsContact C-N 3.27Å; N135-S137 PolarHBondContact O-N 3.02Å; S137-I139 VanDerWaalsContact C-N 3.3Å; S137-I139 PolarHBondContact O-N 3.33Å; S137-I140 PolarHBondContact O-N 2.85Å; S137-I141 VanDerWaalsContact O-CG1 3.3Å; S137-I141 WeakPolarHBondContact O-CG1 3.4Å; S137-I141 PolarHBondContact O-N 3.04Å
138	A	92.2	Very high	80.4	Confident	51 Å²	51	93.8 Å²	93.8	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-38.9	177	0	0	0	0	0	112	N135 I136 R142	N135-A138 HydrophobicContact CB-CB 4.03Å; N135-A138 PolarHBondContact O-N 3.37Å; N135-A138 WeakPolarHBondContact OD1-CB 3.36Å; N135-A138 PolarHBondContact OD1-N 3.12Å; I136-A138 PolarHBondContact O-N 3.07Å; A138-R142 WeakPolarHBondContact O-CB 3.31Å; A138-R142 PolarHBondContact O-N 3.48Å; A138-R142 VanDerWaalsContact O-N 3.1Å
139	I	93.4	Very high	83	Confident	26 Å²	26	95.7 Å²	95.7	13%	0.133	49%	0.488	C	S	.	.	H	α-helix	trans	-68.6	-43.4	177.2	-62.1	168.2	0	0	0	110.7	I134 N135 I136 S137 I141 R142 L143 I159 I166	I134-I139 HydrophobicContact CG2-CD1 3.67Å; N135-I139 PolarHBondContact O-N 3.13Å; I136-I139 PolarHBondContact O-N 2.88Å; I136-I139 VanDerWaalsContact O-N 3.13Å; S137-I139 VanDerWaalsContact C-N 3.3Å; S137-I139 PolarHBondContact O-N 3.33Å; I139-I141 PolarHBondContact O-N 3.28Å; I139-R142 WeakPolarHBondContact O-CB 3.3Å; I139-R142 PolarHBondContact O-N 3.25Å; I139-L143 HydrophobicContact CG2-CD1 4.06Å; I139-L143 HydrophobicContact CG2-CG 4.32Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.4Å; I139-L143 PolarHBondContact O-N 3.49Å; I139-I159 HydrophobicContact CB-CD1 3.85Å; I139-I159 HydrophobicContact CB-CG1 4.26Å; I139-I159 HydrophobicContact CB-CG2 4.49Å; I139-I159 HydrophobicContact CD1-CG2 3.68Å; I139-I159 HydrophobicContact CG2-CD1 3.61Å; I139-I159 HydrophobicContact CG2-CG1 3.68Å; I139-I166 HydrophobicContact CG2-CD1 3.92Å
140	I	93.6	Very high	85.2	Confident	16 Å²	16	89.6 Å²	89.6	8%	0.082	46%	0.455	C	S	.	.	H	α-helix	trans	-58.9	-47.9	175.9	-69.3	175.4	0	0	0	111.2	I136 S137 R142 L143 R144 D152 L155 I159	I136-I140 HydrophobicContact CG2-CD1 3.78Å; I136-I140 HydrophobicContact CG2-CG1 4.24Å; I136-I140 WeakPolarHBondContact O-CG1 3.48Å; I136-I140 PolarHBondContact O-N 3.33Å; S137-I140 PolarHBondContact O-N 2.85Å; I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 3.23Å; I140-L143 WeakPolarHBondContact O-CB 3.47Å; I140-L143 PolarHBondContact O-N 2.97Å; I140-L143 VanDerWaalsContact O-N 3.11Å; I140-R144 WeakPolarHBondContact O-CG 3.21Å; I140-R144 PolarHBondContact O-N 3.23Å; I140-D152 HydrophobicContact CD1-CB 4.41Å; I140-D152 WeakPolarHBondContact CG2-OD1 3.29Å; I140-L155 HydrophobicContact CD1-CB 4.37Å; I140-L155 HydrophobicContact CG1-CB 3.99Å; I140-L155 HydrophobicContact CG1-CD1 4.48Å; I140-L155 HydrophobicContact CG2-CD1 4.16Å; I140-I159 HydrophobicContact CD1-CD1 4.33Å; I140-I159 HydrophobicContact CG1-CD1 3.52Å
141	I	93.9	Very high	87.7	Confident	94 Å²	94	86.4 Å²	86.4	48%	0.482	44%	0.443	S	S	.	.	H	α-helix	trans	-57	-45.2	177.6	-70.2	165.1	0	0	0	109.9	S137 I139 L143 R144 H145	S137-I141 VanDerWaalsContact O-CG1 3.3Å; S137-I141 WeakPolarHBondContact O-CG1 3.4Å; S137-I141 PolarHBondContact O-N 3.04Å; I139-I141 PolarHBondContact O-N 3.28Å; I141-L143 PolarHBondContact O-N 3.47Å; I141-R144 PolarHBondContact O-N 2.9Å; I141-H145 PolarHBondContact O-CD2 3.41Å; I141-H145 PolarHBondContact O-N 3.34Å
142	R	92.4	Very high	89.5	Confident	116 Å²	116	80.6 Å²	80.6	44%	0.438	42%	0.422	S	S	.	.	H	α-helix	trans	-61.2	-43.6	176.3	-168.7	177.7	179.7	170.5	0.1	112.3	A138 I139 I140 R144 H145 M146	A138-R142 WeakPolarHBondContact O-CB 3.31Å; A138-R142 PolarHBondContact O-N 3.48Å; A138-R142 VanDerWaalsContact O-N 3.1Å; I139-R142 WeakPolarHBondContact O-CB 3.3Å; I139-R142 PolarHBondContact O-N 3.25Å; I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 3.23Å; R142-R144 VanDerWaalsContact C-N 3.32Å; R142-R144 PolarHBondContact O-N 3.47Å; R142-H145 PolarHBondContact O-N 3.1Å; R142-M146 HydrophobicContact CG-CE 4.09Å; R142-M146 WeakPolarHBondContact O-CE 3.5Å; R142-M146 WeakPolarHBondContact O-CG 3.48Å; R142-M146 PolarHBondContact O-N 3.01Å; R142-M146 VanDerWaalsContact O-N 3.12Å
143	L	92.6	Very high	91	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-59.8	-42.2	175.8	-69.4	169.6	0	0	0	111.3	I139 I140 I141 H145 M146 G147 F148 L155 I159 I166 I169 L170 L173	I139-L143 HydrophobicContact CG2-CD1 4.06Å; I139-L143 HydrophobicContact CG2-CG 4.32Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.4Å; I139-L143 PolarHBondContact O-N 3.49Å; I140-L143 WeakPolarHBondContact O-CB 3.47Å; I140-L143 PolarHBondContact O-N 2.97Å; I140-L143 VanDerWaalsContact O-N 3.11Å; I141-L143 PolarHBondContact O-N 3.47Å; L143-H145 PolarHBondContact O-N 3.08Å; L143-M146 HydrophobicContact CD2-CE 3.68Å; L143-M146 HydrophobicContact CG-CE 4.32Å; L143-M146 PolarHBondContact O-N 3.44Å; L143-M146 VanDerWaalsContact O-N 3.07Å; L143-G147 PolarHBondContact O-N 3.18Å; L143-F148 HydrophobicContact CB-CB 4.28Å; L143-F148 HydrophobicContact CB-CD2 4.41Å; L143-F148 HydrophobicContact CD2-CD2 4.03Å; L143-F148 HydrophobicContact CD2-CE2 4.49Å; L143-F148 WeakPolarHBondContact O-CB 3.46Å; L143-F148 WeakPolarHBondContact O-CD2 3.45Å; L143-F148 PolarHBondContact O-N 3.11Å; L143-F148 VanDerWaalsContact O-N 3.13Å; L143-L155 HydrophobicContact CB-CD1 4.34Å; L143-L155 HydrophobicContact CD1-CB 4.43Å; L143-L155 HydrophobicContact CD1-CD1 4.2Å; L143-L155 HydrophobicContact CD1-CD2 3.99Å; L143-L155 HydrophobicContact CD1-CG 4.43Å; L143-I159 HydrophobicContact CD1-CD1 4.23Å; L143-I166 HydrophobicContact CD2-CD1 3.83Å; L143-I166 HydrophobicContact CG-CD1 4.27Å; L143-I169 HydrophobicContact CD1-CG2 4.1Å; L143-I169 HydrophobicContact CD2-CG2 4.09Å; L143-L170 HydrophobicContact CD2-CD2 4.02Å; L143-L173 HydrophobicContact CD1-CD1 4.28Å; L143-L173 HydrophobicContact CD2-CD1 3.67Å
144	R	92.2	Very high	91.9	Very high	113 Å²	113	75 Å²	75	43%	0.426	39%	0.391	S	S	.	.	H	α-helix	trans	-63.6	-40.2	175	-68.1	-165.3	-176.4	-80.4	6.7	112.6	I140 I141 R142 M146 G147 D152	I140-R144 WeakPolarHBondContact O-CG 3.21Å; I140-R144 PolarHBondContact O-N 3.23Å; I141-R144 PolarHBondContact O-N 2.9Å; R142-R144 VanDerWaalsContact C-N 3.32Å; R142-R144 PolarHBondContact O-N 3.47Å; R144-M146 PolarHBondContact O-N 3.12Å; R144-G147 PolarHBondContact O-N 2.94Å; R144-D152 IonicContact CZ-OD1 2.65Å; R144-D152 IonicContact NE-OD1 3.49Å; R144-D152 VanDerWaalsContact NH2-CG 3.33Å; R144-D152 IonicContact NH2-OD1 3.6Å; R144-D152 PolarHBondContact NH2-OD1 3.19Å; R144-D152 IonicContact NH2-OD2 3.77Å; R144-D152 PolarHBondContact NH2-OD2 3.11Å
145	H	93	Very high	92.3	Very high	160 Å²	160	72.8 Å²	72.8	74%	0.741	38%	0.379	S	S	*	.	H	α-helix	trans	-63	-24.2	173.3	-76.9	-68.5	0	0	0	113.4	I141 R142 L143 G147	I141-H145 PolarHBondContact O-CD2 3.41Å; I141-H145 PolarHBondContact O-N 3.34Å; R142-H145 PolarHBondContact O-N 3.1Å; L143-H145 PolarHBondContact O-N 3.08Å; H145-G147 VanDerWaalsContact C-N 3.31Å
146	M	90.6	Very high	92.5	Very high	83 Å²	83	69.6 Å²	69.6	41%	0.409	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.6	174.3	-66.6	-178.7	-65.3	0	0	113.4	R142 L143 R144 F148 I166 L170	R142-M146 HydrophobicContact CG-CE 4.09Å; R142-M146 WeakPolarHBondContact O-CE 3.5Å; R142-M146 WeakPolarHBondContact O-CG 3.48Å; R142-M146 PolarHBondContact O-N 3.01Å; R142-M146 VanDerWaalsContact O-N 3.12Å; L143-M146 HydrophobicContact CD2-CE 3.68Å; L143-M146 HydrophobicContact CG-CE 4.32Å; L143-M146 PolarHBondContact O-N 3.44Å; L143-M146 VanDerWaalsContact O-N 3.07Å; R144-M146 PolarHBondContact O-N 3.12Å; M146-F148 HydrophobicContact CB-CD2 3.95Å; M146-F148 HydrophobicContact CB-CE2 4.04Å; M146-I166 HydrophobicContact CE-CD1 4.18Å; M146-L170 HydrophobicContact CE-CD1 4.45Å; M146-L170 HydrophobicContact CE-CD2 3.57Å; M146-L170 HydrophobicContact CE-CG 4.41Å; M146-L170 HydrophobicContact SD-CD1 4.3Å; M146-L170 HydrophobicContact SD-CD2 3.94Å
147	G	91.3	Very high	92.6	Very high	52 Å²	52	70.9 Å²	70.9	54%	0.536	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	5	177.3	0	0	0	0	0	115	L143 R144 H145 Q149	L143-G147 PolarHBondContact O-N 3.18Å; R144-G147 PolarHBondContact O-N 2.94Å; H145-G147 VanDerWaalsContact C-N 3.31Å; G147-Q149 PolarHBondContact O-N 3.35Å
148	F	90.3	Very high	92.6	Very high	22 Å²	22	67.2 Å²	67.2	10%	0.096	35%	0.352	C	S	.	.			trans	-76.3	119	176.2	-67.8	-68.8	0	0	0	110.8	L143 M146 Q150 L170 L173 N177	L143-F148 HydrophobicContact CB-CB 4.28Å; L143-F148 HydrophobicContact CB-CD2 4.41Å; L143-F148 HydrophobicContact CD2-CD2 4.03Å; L143-F148 HydrophobicContact CD2-CE2 4.49Å; L143-F148 WeakPolarHBondContact O-CB 3.46Å; L143-F148 WeakPolarHBondContact O-CD2 3.45Å; L143-F148 PolarHBondContact O-N 3.11Å; L143-F148 VanDerWaalsContact O-N 3.13Å; M146-F148 HydrophobicContact CB-CD2 3.95Å; M146-F148 HydrophobicContact CB-CE2 4.04Å; F148-Q150 VanDerWaalsContact CB-OE1 3.25Å; F148-L170 HydrophobicContact CD2-CD2 4.27Å; F148-L170 HydrophobicContact CE2-CD2 3.38Å; F148-L170 HydrophobicContact CZ-CD2 3.98Å; F148-L173 HydrophobicContact CB-CD1 4.49Å; F148-L173 HydrophobicContact CD1-CB 3.68Å; F148-L173 HydrophobicContact CD1-CD1 3.98Å; F148-L173 HydrophobicContact CD1-CG 4.3Å; F148-L173 HydrophobicContact CD2-CD1 4.18Å; F148-L173 HydrophobicContact CE1-CB 3.33Å; F148-L173 HydrophobicContact CE1-CD1 4.26Å; F148-L173 HydrophobicContact CE1-CG 4.37Å; F148-L173 HydrophobicContact CE2-CD1 4.45Å; F148-L173 HydrophobicContact CG-CB 4.45Å; F148-L173 HydrophobicContact CG-CD1 3.94Å; F148-L173 HydrophobicContact CZ-CB 3.83Å; F148-L173 HydrophobicContact CZ-CD1 4.47Å; F148-N177 WeakPolarHBondContact CE1-ND2 3.45Å
149	Q	91.4	Very high	92.6	Very high	177 Å²	177	64.8 Å²	64.8	83%	0.827	33%	0.332	S	S	*	.			trans	-107.4	11.3	-175.3	-65	-173.6	-16.2	0	0	113.7	G147	G147-Q149 PolarHBondContact O-N 3.35Å
150	Q	89.7	Confident	92.5	Very high	33 Å²	33	69.4 Å²	69.4	15%	0.154	35%	0.352	C	S	.	.			trans	-60.8	161.7	177	-65.1	82.1	-4.1	0	0	112.2	F148 Y154 L155 L173 N177	F148-Q150 VanDerWaalsContact CB-OE1 3.25Å; Q150-Y154 HydrophobicContact CB-CD1 3.75Å; Q150-Y154 HydrophobicContact CB-CE1 4.49Å; Q150-Y154 HydrophobicContact CG-CD1 3.86Å; Q150-Y154 HydrophobicContact CG-CE1 4.13Å; Q150-L155 HydrophobicContact CB-CD2 3.95Å; Q150-L155 HydrophobicContact CB-CG 4.17Å; Q150-L173 HydrophobicContact CG-CD2 4.23Å; Q150-N177 PolarHBondContact NE2-OD1 3.43Å
151	S	93.7	Very high	92.5	Very high	72 Å²	72	74.4 Å²	74.4	50%	0.503	38%	0.375	S	S	.	.			trans	-66	146.9	179.2	66	0	0	0	0	111.8	M153 Y154 L155	S151-M153 PolarHBondContact O-N 2.97Å; S151-Y154 WeakPolarHBondContact O-CB 3.38Å; S151-Y154 PolarHBondContact O-N 2.93Å; S151-Y154 WeakPolarHBondContact OG-CB 3.3Å; S151-Y154 PolarHBondContact OG-N 3.4Å; S151-L155 PolarHBondContact O-N 3.04Å
152	D	92.5	Very high	92.4	Very high	79 Å²	79	73.2 Å²	73.2	42%	0.422	37%	0.365	S	S	.	.	H	α-helix	trans	-61.2	-31.9	-179.8	-70.2	-24.4	0	0	0	112.2	I140 R144 S156	I140-D152 HydrophobicContact CD1-CB 4.41Å; I140-D152 WeakPolarHBondContact CG2-OD1 3.29Å; R144-D152 IonicContact CZ-OD1 2.65Å; R144-D152 IonicContact NE-OD1 3.49Å; R144-D152 VanDerWaalsContact NH2-CG 3.33Å; R144-D152 IonicContact NH2-OD1 3.6Å; R144-D152 PolarHBondContact NH2-OD1 3.19Å; R144-D152 IonicContact NH2-OD2 3.77Å; R144-D152 PolarHBondContact NH2-OD2 3.11Å; D152-S156 WeakPolarHBondContact O-CB 3.23Å; D152-S156 PolarHBondContact O-N 3.23Å; D152-S156 PolarHBondContact O-OG 2.87Å
153	M	94	Very high	92.2	Very high	155 Å²	155	73.3 Å²	73.3	76%	0.764	38%	0.375	S	S	*	.	H	α-helix	trans	-63.3	-42.7	174.4	-61.5	-155.1	-38.2	0	0	111.9	S151 S157	S151-M153 PolarHBondContact O-N 2.97Å; M153-S157 PolarHBondContact O-N 3.4Å; M153-S157 VanDerWaalsContact O-N 3.1Å; M153-S157 PolarHBondContact O-OG 3.44Å
154	Y	94.5	Very high	92	Very high	61 Å²	61	73.9 Å²	73.9	24%	0.239	38%	0.38	C	S	.	.	H	α-helix	trans	-66.4	-48.2	178.5	-179.6	-110.6	0	0	0	111.1	Q150 S151 S156 S157 L158 L173 E176	Q150-Y154 HydrophobicContact CB-CD1 3.75Å; Q150-Y154 HydrophobicContact CB-CE1 4.49Å; Q150-Y154 HydrophobicContact CG-CD1 3.86Å; Q150-Y154 HydrophobicContact CG-CE1 4.13Å; S151-Y154 WeakPolarHBondContact O-CB 3.38Å; S151-Y154 PolarHBondContact O-N 2.93Å; S151-Y154 WeakPolarHBondContact OG-CB 3.3Å; S151-Y154 PolarHBondContact OG-N 3.4Å; Y154-S156 VanDerWaalsContact C-N 3.35Å; Y154-S156 PolarHBondContact O-N 2.86Å; Y154-S157 WeakPolarHBondContact O-CB 3.24Å; Y154-S157 PolarHBondContact O-N 3.26Å; Y154-L158 HydrophobicContact CD1-CD1 3.96Å; Y154-L158 HydrophobicContact CE1-CD1 3.38Å; Y154-L158 HydrophobicContact CE1-CG 4.17Å; Y154-L158 HydrophobicContact CE2-CD1 4.39Å; Y154-L158 HydrophobicContact CE2-CG 4.34Å; Y154-L158 PolarHBondContact O-N 2.83Å; Y154-L173 HydrophobicContact CD1-CD2 4.48Å; Y154-L173 HydrophobicContact CE1-CD2 3.83Å; Y154-E176 WeakPolarHBondContact CE1-OE2 3.44Å; Y154-E176 VanDerWaalsContact CZ-OE2 3.29Å; Y154-E176 PolarHBondContact OH-OE1 3.31Å; Y154-E176 PolarHBondContact OH-OE2 3.16Å
155	L	93.6	Very high	91.9	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-61.6	-42.8	177.5	-63.8	-175.7	0	0	0	111.7	I140 L143 Q150 S151 S157 L158 I159 L173	I140-L155 HydrophobicContact CD1-CB 4.37Å; I140-L155 HydrophobicContact CG1-CB 3.99Å; I140-L155 HydrophobicContact CG1-CD1 4.48Å; I140-L155 HydrophobicContact CG2-CD1 4.16Å; L143-L155 HydrophobicContact CB-CD1 4.34Å; L143-L155 HydrophobicContact CD1-CB 4.43Å; L143-L155 HydrophobicContact CD1-CD1 4.2Å; L143-L155 HydrophobicContact CD1-CD2 3.99Å; L143-L155 HydrophobicContact CD1-CG 4.43Å; Q150-L155 HydrophobicContact CB-CD2 3.95Å; Q150-L155 HydrophobicContact CB-CG 4.17Å; S151-L155 PolarHBondContact O-N 3.04Å; L155-S157 VanDerWaalsContact C-N 3.29Å; L155-S157 PolarHBondContact O-N 3.45Å; L155-L158 PolarHBondContact O-N 3.01Å; L155-I159 HydrophobicContact CB-CD1 4.45Å; L155-I159 WeakPolarHBondContact O-CB 3.5Å; L155-I159 VanDerWaalsContact O-CD1 3.29Å; L155-I159 WeakPolarHBondContact O-CD1 3.47Å; L155-I159 WeakPolarHBondContact O-CG1 3.13Å; L155-I159 PolarHBondContact O-N 3.44Å; L155-L173 HydrophobicContact CD2-CD1 4.02Å; L155-L173 HydrophobicContact CD2-CD2 3.93Å
156	S	93.2	Very high	91.7	Very high	29 Å²	29	66.2 Å²	66.2	20%	0.203	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-41.8	176.8	-62.5	0	0	0	0	111.9	D152 Y154 I159 Q160	D152-S156 WeakPolarHBondContact O-CB 3.23Å; D152-S156 PolarHBondContact O-N 3.23Å; D152-S156 PolarHBondContact O-OG 2.87Å; Y154-S156 VanDerWaalsContact C-N 3.35Å; Y154-S156 PolarHBondContact O-N 2.86Å; S156-I159 PolarHBondContact O-N 3.03Å; S156-Q160 VanDerWaalsContact O-CG 3.3Å; S156-Q160 WeakPolarHBondContact O-CG 3.46Å; S156-Q160 PolarHBondContact O-N 3.29Å
157	S	93.2	Very high	91.7	Very high	71 Å²	71	67.2 Å²	67.2	50%	0.497	36%	0.36	S	S	.	.	H	α-helix	trans	-65.2	-44.2	178.5	-57	0	0	0	0	111.5	M153 Y154 L155 Q160 Q161	M153-S157 PolarHBondContact O-N 3.4Å; M153-S157 VanDerWaalsContact O-N 3.1Å; M153-S157 PolarHBondContact O-OG 3.44Å; Y154-S157 WeakPolarHBondContact O-CB 3.24Å; Y154-S157 PolarHBondContact O-N 3.26Å; L155-S157 VanDerWaalsContact C-N 3.29Å; L155-S157 PolarHBondContact O-N 3.45Å; S157-Q160 PolarHBondContact O-N 3.36Å; S157-Q161 WeakPolarHBondContact O-CB 3.31Å; S157-Q161 PolarHBondContact O-N 3.27Å
158	L	92.8	Very high	91.7	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-61.4	-46	174.3	-74.3	176.9	0	0	0	112.2	Y154 L155 Q160 Q161 Y162 I169 R172 L173	Y154-L158 HydrophobicContact CD1-CD1 3.96Å; Y154-L158 HydrophobicContact CE1-CD1 3.38Å; Y154-L158 HydrophobicContact CE1-CG 4.17Å; Y154-L158 HydrophobicContact CE2-CD1 4.39Å; Y154-L158 HydrophobicContact CE2-CG 4.34Å; Y154-L158 PolarHBondContact O-N 2.83Å; L155-L158 PolarHBondContact O-N 3.01Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.21Å; L158-Q161 PolarHBondContact O-N 3.22Å; L158-Y162 HydrophobicContact CD2-CE2 4.01Å; L158-Y162 VanDerWaalsContact O-CD2 3.23Å; L158-Y162 WeakPolarHBondContact O-CD2 3.46Å; L158-Y162 PolarHBondContact O-N 3.13Å; L158-I169 HydrophobicContact CB-CG2 4.49Å; L158-R172 HydrophobicContact CD2-CG 4.46Å; L158-L173 HydrophobicContact CD1-CD2 3.62Å; L158-L173 HydrophobicContact CD1-CG 4.05Å
159	I	92.4	Very high	91.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-42.3	-179	-68.3	160.6	0	0	0	110.9	I134 I136 I139 I140 L143 L155 S156 N163 G164 I169	I134-I159 HydrophobicContact CG2-CG2 3.64Å; I136-I159 HydrophobicContact CB-CG2 4.41Å; I136-I159 HydrophobicContact CG1-CG2 4.01Å; I136-I159 HydrophobicContact CG2-CB 4.47Å; I136-I159 HydrophobicContact CG2-CD1 3.91Å; I136-I159 HydrophobicContact CG2-CG2 4.33Å; I139-I159 HydrophobicContact CB-CD1 3.85Å; I139-I159 HydrophobicContact CB-CG1 4.26Å; I139-I159 HydrophobicContact CB-CG2 4.49Å; I139-I159 HydrophobicContact CD1-CG2 3.68Å; I139-I159 HydrophobicContact CG2-CD1 3.61Å; I139-I159 HydrophobicContact CG2-CG1 3.68Å; I140-I159 HydrophobicContact CD1-CD1 4.33Å; I140-I159 HydrophobicContact CG1-CD1 3.52Å; L143-I159 HydrophobicContact CD1-CD1 4.23Å; L155-I159 HydrophobicContact CB-CD1 4.45Å; L155-I159 WeakPolarHBondContact O-CB 3.5Å; L155-I159 VanDerWaalsContact O-CD1 3.29Å; L155-I159 WeakPolarHBondContact O-CD1 3.47Å; L155-I159 WeakPolarHBondContact O-CG1 3.13Å; L155-I159 PolarHBondContact O-N 3.44Å; S156-I159 PolarHBondContact O-N 3.03Å; I159-N163 PolarHBondContact O-N 3.48Å; I159-G164 PolarHBondContact O-N 2.65Å; I159-I169 HydrophobicContact CB-CD1 4.3Å; I159-I169 HydrophobicContact CG1-CD1 3.83Å
160	Q	92	Very high	91.8	Very high	122 Å²	122	59 Å²	59	57%	0.57	31%	0.312	S	S	*	.	H	α-helix	trans	-66.7	-44	175.2	-71.3	176.1	31.2	0	0	111.5	I136 S156 S157 L158 Y162 N163	I136-Q160 HydrophobicContact CD1-CG 3.88Å; S156-Q160 VanDerWaalsContact O-CG 3.3Å; S156-Q160 WeakPolarHBondContact O-CG 3.46Å; S156-Q160 PolarHBondContact O-N 3.29Å; S157-Q160 PolarHBondContact O-N 3.36Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.21Å; Q160-Y162 VanDerWaalsContact C-N 3.31Å; Q160-Y162 PolarHBondContact O-N 3.42Å; Q160-N163 PolarHBondContact O-N 2.87Å; Q160-N163 VanDerWaalsContact O-N 3.12Å
161	Q	92.4	Very high	91.8	Very high	121 Å²	121	61.9 Å²	61.9	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-58.4	-41.7	179.4	-177	179.6	-4.7	0	0	112.2	S157 L158 N163	S157-Q161 WeakPolarHBondContact O-CB 3.31Å; S157-Q161 PolarHBondContact O-N 3.27Å; L158-Q161 PolarHBondContact O-N 3.22Å; Q161-N163 VanDerWaalsContact C-N 3.33Å
162	Y	92.2	Very high	91.6	Very high	69 Å²	69	62.1 Å²	62.1	27%	0.271	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	17	179.8	-64	-71.3	0	0	0	113.6	L158 Q160 G164 N165 P168 I169 R172	L158-Y162 HydrophobicContact CD2-CE2 4.01Å; L158-Y162 VanDerWaalsContact O-CD2 3.23Å; L158-Y162 WeakPolarHBondContact O-CD2 3.46Å; L158-Y162 PolarHBondContact O-N 3.13Å; Q160-Y162 VanDerWaalsContact C-N 3.31Å; Q160-Y162 PolarHBondContact O-N 3.42Å; Y162-G164 PolarHBondContact O-N 2.9Å; Y162-G164 VanDerWaalsContact O-N 3.11Å; Y162-N165 VanDerWaalsContact O-CB 3.29Å; Y162-N165 WeakPolarHBondContact O-CB 3.5Å; Y162-N165 PolarHBondContact O-N 3.32Å; Y162-P168 HydrophobicContact CD1-CB 3.59Å; Y162-P168 HydrophobicContact CD1-CG 3.64Å; Y162-P168 HydrophobicContact CE1-CB 3.79Å; Y162-P168 HydrophobicContact CE1-CG 4.37Å; Y162-P168 HydrophobicContact CG-CB 4.05Å; Y162-P168 HydrophobicContact CG-CG 3.82Å; Y162-I169 HydrophobicContact CD2-CG1 3.66Å; Y162-I169 HydrophobicContact CG-CG1 4.11Å; Y162-R172 WeakPolarHBondContact OH-CD 3.41Å
163	N	89.7	Confident	91.5	Very high	118 Å²	118	58.3 Å²	58.3	63%	0.631	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	38.5	176.2	-152.8	69.8	0	0	0	113.4	I134 I159 Q160 Q161 N165	I134-N163 HydrophobicContact CD1-CB 4.37Å; I159-N163 PolarHBondContact O-N 3.48Å; Q160-N163 PolarHBondContact O-N 2.87Å; Q160-N163 VanDerWaalsContact O-N 3.12Å; Q161-N163 VanDerWaalsContact C-N 3.33Å; N163-N165 VanDerWaalsContact C-N 3.32Å; N163-N165 PolarHBondContact O-N 3.2Å
164	G	87.1	Confident	91	Very high	12 Å²	12	53.2 Å²	53.2	12%	0.124	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	3	-179.8	0	0	0	0	0	116	I159 Y162 I166	I159-G164 PolarHBondContact O-N 2.65Å; Y162-G164 PolarHBondContact O-N 2.9Å; Y162-G164 VanDerWaalsContact O-N 3.11Å; G164-I166 PolarHBondContact O-N 2.96Å
165	N	90.5	Very high	90.5	Very high	83 Å²	83	57.1 Å²	57.1	44%	0.444	30%	0.296	S	S	.	.			trans	-75.1	115.7	178.3	-169.9	-14.2	0	0	0	111.1	Y162 N163 N167 P168 I169	Y162-N165 VanDerWaalsContact O-CB 3.29Å; Y162-N165 WeakPolarHBondContact O-CB 3.5Å; Y162-N165 PolarHBondContact O-N 3.32Å; N163-N165 VanDerWaalsContact C-N 3.32Å; N163-N165 PolarHBondContact O-N 3.2Å; N165-N167 PolarHBondContact O-N 3.49Å; N165-N167 PolarHBondContact OD1-N 3.23Å; N165-P168 HydrophobicContact CB-CG 3.95Å; N165-P168 WeakPolarHBondContact O-CD 3.11Å; N165-P168 WeakPolarHBondContact O-CG 3.49Å; N165-P168 VanDerWaalsContact OD1-CD 3.3Å; N165-P168 WeakPolarHBondContact OD1-CD 3.42Å; N165-I169 WeakPolarHBondContact O-CD1 3.49Å; N165-I169 VanDerWaalsContact O-CG1 3.24Å; N165-I169 WeakPolarHBondContact O-CG1 3.38Å
166	I	89.7	Confident	89.7	Confident	30 Å²	30	60.5 Å²	60.5	15%	0.154	31%	0.312	C	S	.	.	H	α-helix	trans	-68.4	-33.8	-175.3	-167.2	65.2	0	0	0	113.5	I139 L143 M146 G164 I169 L170	I139-I166 HydrophobicContact CG2-CD1 3.92Å; L143-I166 HydrophobicContact CD2-CD1 3.83Å; L143-I166 HydrophobicContact CG-CD1 4.27Å; M146-I166 HydrophobicContact CE-CD1 4.18Å; G164-I166 PolarHBondContact O-N 2.96Å; I166-I169 WeakPolarHBondContact O-CB 3.34Å; I166-I169 PolarHBondContact O-N 2.81Å; I166-L170 HydrophobicContact CD1-CG 4.43Å; I166-L170 HydrophobicContact CG1-CD1 3.93Å; I166-L170 HydrophobicContact CG1-CG 4.09Å; I166-L170 VanDerWaalsContact O-CG 3.31Å; I166-L170 WeakPolarHBondContact O-CG 3.4Å; I166-L170 PolarHBondContact O-N 3.1Å
167	N	90.2	Very high	88.5	Confident	103 Å²	103	62.6 Å²	62.6	55%	0.551	32%	0.321	S	S	*	.	H	α-helix	trans	-62.8	-54.6	-173.2	-62.7	-28.2	0	0	0	113	N165 I169 L170 D171	N165-N167 PolarHBondContact O-N 3.49Å; N165-N167 PolarHBondContact OD1-N 3.23Å; N167-I169 PolarHBondContact O-N 2.86Å; N167-L170 WeakPolarHBondContact O-CB 3.45Å; N167-L170 PolarHBondContact O-N 3.34Å; N167-L170 VanDerWaalsContact O-N 3.14Å; N167-D171 PolarHBondContact O-N 3Å
168	P	91.4	Very high	87.3	Confident	33 Å²	33	65.1 Å²	65.1	21%	0.214	33%	0.329	C	S	.	.	H	α-helix	trans	-66.3	-27.1	178.6	28.3	-37.1	0	0	0	112.9	Y162 N165 R172	Y162-P168 HydrophobicContact CD1-CB 3.59Å; Y162-P168 HydrophobicContact CD1-CG 3.64Å; Y162-P168 HydrophobicContact CE1-CB 3.79Å; Y162-P168 HydrophobicContact CE1-CG 4.37Å; Y162-P168 HydrophobicContact CG-CB 4.05Å; Y162-P168 HydrophobicContact CG-CG 3.82Å; N165-P168 HydrophobicContact CB-CG 3.95Å; N165-P168 WeakPolarHBondContact O-CD 3.11Å; N165-P168 WeakPolarHBondContact O-CG 3.49Å; N165-P168 VanDerWaalsContact OD1-CD 3.3Å; N165-P168 WeakPolarHBondContact OD1-CD 3.42Å; P168-R172 WeakPolarHBondContact O-CB 3.44Å; P168-R172 PolarHBondContact O-N 3.33Å; P168-R172 VanDerWaalsContact O-N 3.14Å
169	I	91.9	Very high	85.8	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-45.7	174	-63.2	166.8	0	0	0	109.7	L143 L158 I159 Y162 N165 I166 N167 R172 L173	L143-I169 HydrophobicContact CD1-CG2 4.1Å; L143-I169 HydrophobicContact CD2-CG2 4.09Å; L158-I169 HydrophobicContact CB-CG2 4.49Å; I159-I169 HydrophobicContact CB-CD1 4.3Å; I159-I169 HydrophobicContact CG1-CD1 3.83Å; Y162-I169 HydrophobicContact CD2-CG1 3.66Å; Y162-I169 HydrophobicContact CG-CG1 4.11Å; N165-I169 WeakPolarHBondContact O-CD1 3.49Å; N165-I169 VanDerWaalsContact O-CG1 3.24Å; N165-I169 WeakPolarHBondContact O-CG1 3.38Å; I166-I169 WeakPolarHBondContact O-CB 3.34Å; I166-I169 PolarHBondContact O-N 2.81Å; N167-I169 PolarHBondContact O-N 2.86Å; I169-R172 PolarHBondContact O-N 3.12Å; I169-L173 HydrophobicContact CG2-CD1 3.68Å; I169-L173 HydrophobicContact CG2-CG 4.24Å; I169-L173 WeakPolarHBondContact O-CB 3.35Å; I169-L173 WeakPolarHBondContact O-CG 3.29Å; I169-L173 PolarHBondContact O-N 3.05Å
170	L	91.6	Very high	84.1	Confident	45 Å²	45	81.8 Å²	81.8	24%	0.236	41%	0.406	C	S	.	.	H	α-helix	trans	-62.8	-45.7	178	-74.9	176.4	0	0	0	112.4	L143 M146 F148 I166 N167 R172 L173 S174	L143-L170 HydrophobicContact CD2-CD2 4.02Å; M146-L170 HydrophobicContact CE-CD1 4.45Å; M146-L170 HydrophobicContact CE-CD2 3.57Å; M146-L170 HydrophobicContact CE-CG 4.41Å; M146-L170 HydrophobicContact SD-CD1 4.3Å; M146-L170 HydrophobicContact SD-CD2 3.94Å; F148-L170 HydrophobicContact CD2-CD2 4.27Å; F148-L170 HydrophobicContact CE2-CD2 3.38Å; F148-L170 HydrophobicContact CZ-CD2 3.98Å; I166-L170 HydrophobicContact CD1-CG 4.43Å; I166-L170 HydrophobicContact CG1-CD1 3.93Å; I166-L170 HydrophobicContact CG1-CG 4.09Å; I166-L170 VanDerWaalsContact O-CG 3.31Å; I166-L170 WeakPolarHBondContact O-CG 3.4Å; I166-L170 PolarHBondContact O-N 3.1Å; N167-L170 WeakPolarHBondContact O-CB 3.45Å; N167-L170 PolarHBondContact O-N 3.34Å; N167-L170 VanDerWaalsContact O-N 3.14Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.4Å; L170-L173 PolarHBondContact O-N 3.49Å; L170-S174 VanDerWaalsContact O-CB 3.3Å; L170-S174 WeakPolarHBondContact O-CB 3.3Å; L170-S174 PolarHBondContact O-N 3.23Å; L170-S174 PolarHBondContact O-OG 2.93Å
171	D	89.5	Confident	81.9	Confident	95 Å²	95	83.9 Å²	83.9	51%	0.508	43%	0.434	S	S	.	.	H	α-helix	trans	-55.4	-53.4	177	-70.3	-22.5	0	0	0	109.6	N167 L173 S174 F175	N167-D171 PolarHBondContact O-N 3Å; D171-L173 PolarHBondContact O-N 2.67Å; D171-S174 PolarHBondContact O-N 2.93Å; D171-S174 PolarHBondContact O-OG 3.22Å; D171-F175 HydrophobicContact CB-CE2 4.31Å; D171-F175 WeakPolarHBondContact O-CD2 3.19Å; D171-F175 PolarHBondContact O-N 3.2Å
172	R	89.6	Confident	81.4	Confident	76 Å²	76	82 Å²	82	29%	0.287	43%	0.427	S	S	.	.	H	α-helix	trans	-60.5	-44.9	-179.8	-175.4	165.7	172.4	-171.1	-2.9	113.3	L158 Y162 P168 I169 L170 S174 F175 E176	L158-R172 HydrophobicContact CD2-CG 4.46Å; Y162-R172 WeakPolarHBondContact OH-CD 3.41Å; P168-R172 WeakPolarHBondContact O-CB 3.44Å; P168-R172 PolarHBondContact O-N 3.33Å; P168-R172 VanDerWaalsContact O-N 3.14Å; I169-R172 PolarHBondContact O-N 3.12Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.4Å; R172-S174 VanDerWaalsContact C-N 3.3Å; R172-S174 PolarHBondContact O-N 2.78Å; R172-F175 PolarHBondContact O-N 3.29Å; R172-E176 IonicContact NE-OE1 3.45Å; R172-E176 PolarHBondContact O-N 3.05Å; R172-E176 VanDerWaalsContact O-N 3.16Å
173	L	89.3	Confident	80.8	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-66.2	-33.5	178.7	-69.8	172.7	0	0	0	112.3	L143 F148 Q150 Y154 L155 L158 I169 L170 D171 N177	L143-L173 HydrophobicContact CD1-CD1 4.28Å; L143-L173 HydrophobicContact CD2-CD1 3.67Å; F148-L173 HydrophobicContact CB-CD1 4.49Å; F148-L173 HydrophobicContact CD1-CB 3.68Å; F148-L173 HydrophobicContact CD1-CD1 3.98Å; F148-L173 HydrophobicContact CD1-CG 4.3Å; F148-L173 HydrophobicContact CD2-CD1 4.18Å; F148-L173 HydrophobicContact CE1-CB 3.33Å; F148-L173 HydrophobicContact CE1-CD1 4.26Å; F148-L173 HydrophobicContact CE1-CG 4.37Å; F148-L173 HydrophobicContact CE2-CD1 4.45Å; F148-L173 HydrophobicContact CG-CB 4.45Å; F148-L173 HydrophobicContact CG-CD1 3.94Å; F148-L173 HydrophobicContact CZ-CB 3.83Å; F148-L173 HydrophobicContact CZ-CD1 4.47Å; Q150-L173 HydrophobicContact CG-CD2 4.23Å; Y154-L173 HydrophobicContact CD1-CD2 4.48Å; Y154-L173 HydrophobicContact CE1-CD2 3.83Å; L155-L173 HydrophobicContact CD2-CD1 4.02Å; L155-L173 HydrophobicContact CD2-CD2 3.93Å; L158-L173 HydrophobicContact CD1-CD2 3.62Å; L158-L173 HydrophobicContact CD1-CG 4.05Å; I169-L173 HydrophobicContact CG2-CD1 3.68Å; I169-L173 HydrophobicContact CG2-CG 4.24Å; I169-L173 WeakPolarHBondContact O-CB 3.35Å; I169-L173 WeakPolarHBondContact O-CG 3.29Å; I169-L173 PolarHBondContact O-N 3.05Å; L170-L173 PolarHBondContact O-N 3.49Å; D171-L173 PolarHBondContact O-N 2.67Å; L173-N177 PolarHBondContact O-N 3.17Å
174	S	85	Confident	80.3	Confident	47 Å²	47	80.7 Å²	80.7	33%	0.329	43%	0.425	S	S	.	.	H	α-helix	trans	-68.4	-41	176.3	76.6	0	0	0	0	111.8	L170 D171 R172 E176 N177 N178	L170-S174 VanDerWaalsContact O-CB 3.3Å; L170-S174 WeakPolarHBondContact O-CB 3.3Å; L170-S174 PolarHBondContact O-N 3.23Å; L170-S174 PolarHBondContact O-OG 2.93Å; D171-S174 PolarHBondContact O-N 2.93Å; D171-S174 PolarHBondContact O-OG 3.22Å; R172-S174 VanDerWaalsContact C-N 3.3Å; R172-S174 PolarHBondContact O-N 2.78Å; S174-E176 VanDerWaalsContact C-N 3.35Å; S174-E176 PolarHBondContact O-N 3.39Å; S174-N177 PolarHBondContact O-N 3.41Å; S174-N178 PolarHBondContact O-N 3.3Å; S174-N178 PolarHBondContact O-ND2 3.12Å
175	F	82.8	Confident	79.9	Confident	144 Å²	144	84.8 Å²	84.8	63%	0.632	44%	0.442	S	S	*	.	H	α-helix	trans	-62.6	-41.5	175.3	-74.7	-66.6	0	0	0	111.9	D171 R172 N178 M179	D171-F175 HydrophobicContact CB-CE2 4.31Å; D171-F175 WeakPolarHBondContact O-CD2 3.19Å; D171-F175 PolarHBondContact O-N 3.2Å; R172-F175 PolarHBondContact O-N 3.29Å; F175-N178 PolarHBondContact O-N 3.46Å; F175-M179 WeakPolarHBondContact O-CG 3.3Å; F175-M179 PolarHBondContact O-N 3.16Å
176	E	77	Confident	79.2	Confident	71 Å²	71	84.9 Å²	84.9	33%	0.332	44%	0.442	S	S	.	.	H	α-helix	trans	-68.1	-36.6	-179.3	-75.2	178.2	177.3	0	0	113.3	Y154 R172 S174 N178 M179	Y154-E176 WeakPolarHBondContact CE1-OE2 3.44Å; Y154-E176 VanDerWaalsContact CZ-OE2 3.29Å; Y154-E176 PolarHBondContact OH-OE1 3.31Å; Y154-E176 PolarHBondContact OH-OE2 3.16Å; R172-E176 IonicContact NE-OE1 3.45Å; R172-E176 PolarHBondContact O-N 3.05Å; R172-E176 VanDerWaalsContact O-N 3.16Å; S174-E176 VanDerWaalsContact C-N 3.35Å; S174-E176 PolarHBondContact O-N 3.39Å; E176-N178 VanDerWaalsContact C-N 3.32Å; E176-N178 PolarHBondContact O-N 3.18Å; E176-M179 PolarHBondContact O-N 3.49Å
177	N	68.7	Low	78.6	Confident	73 Å²	73	88.5 Å²	88.5	39%	0.39	46%	0.461	S	S	.	.	H	α-helix	trans	-66.3	-34.8	175.9	-81.4	-15.3	0	0	0	112.2	F148 Q150 L173 S174 M179 K180	F148-N177 WeakPolarHBondContact CE1-ND2 3.45Å; Q150-N177 PolarHBondContact NE2-OD1 3.43Å; L173-N177 PolarHBondContact O-N 3.17Å; S174-N177 PolarHBondContact O-N 3.41Å; N177-M179 VanDerWaalsContact C-N 3.34Å; N177-K180 PolarHBondContact O-N 3.35Å
178	N	67	Low	77.7	Confident	123 Å²	123	87.5 Å²	87.5	66%	0.658	46%	0.455	S	S	*	.	H	α-helix	trans	-72.4	-25.8	177.6	-76.4	-71.1	0	0	0	113.1	S174 F175 E176 K180	S174-N178 PolarHBondContact O-N 3.3Å; S174-N178 PolarHBondContact O-ND2 3.12Å; F175-N178 PolarHBondContact O-N 3.46Å; E176-N178 VanDerWaalsContact C-N 3.32Å; E176-N178 PolarHBondContact O-N 3.18Å; N178-K180 VanDerWaalsContact C-N 3.29Å
179	M	61.6	Low	76.7	Confident	163 Å²	163	91.7 Å²	91.7	80%	0.803	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.8	178.2	-67.7	-96.5	92.1	0	0	113.5	F175 E176 N177	F175-M179 WeakPolarHBondContact O-CG 3.3Å; F175-M179 PolarHBondContact O-N 3.16Å; E176-M179 PolarHBondContact O-N 3.49Å; N177-M179 VanDerWaalsContact C-N 3.34Å
180	K	57.5	Low	75.4	Confident	189 Å²	189	99.3 Å²	99.3	82%	0.822	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	5.1	-170.4	-146.7	159.3	176.2	178.2	0	113.8	N177 N178	N177-K180 PolarHBondContact O-N 3.35Å; N178-K180 VanDerWaalsContact C-N 3.29Å
181	S	45.2	Very low	73.9	Confident	166 Å²	166	104.3 Å²	104.3	100%	1.161	54%	0.538	S	S	*	.			trans	-99.1	0	167.9	-56.4	0	0	0	0	109.7

Retrieved 181 of 181 residues in 24.4 ms (Link to these results)

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