A0A2K5NPB7_CERAT Loading...

Endothelin-3

Endothelins are endothelium-derived vasoconstrictor peptides.

AlphaFold DB , UniProt , Accession A0A2K5NPB7, Species CERAT (Cercocebus atys, Sooty mangabey), Gene EDN3, Length 230 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	52.9	Low	234 Å²	234	160.1 Å²	160.1	100%	1.153	85%	0.846	S	S	*	*				0	123.2	0	-86.5	58.9	173.6	0	0	108.6
2	E	50.8	Low	52.8	Low	191 Å²	191	157.1 Å²	157.1	89%	0.893	84%	0.839	S	S	*	*			trans	-80.7	145.2	151	-67	172.4	80.9	0	0	108.7
3	P	53.6	Low	52.8	Low	125 Å²	125	156.3 Å²	156.3	81%	0.812	84%	0.843	S	S	*	*			trans	-121.9	78.7	158.4	35	-21.6	0	0	0	109.6
4	G	55.3	Low	52.5	Low	60 Å²	60	154.6 Å²	154.6	62%	0.619	84%	0.841	S	S	*	*			trans	-68.9	153.3	168	0	0	0	0	0	111.7
5	L	57.4	Low	51.9	Low	159 Å²	159	151.9 Å²	151.9	83%	0.832	84%	0.838	S	S	*	*			trans	59.5	80.8	168.3	-76.6	64.9	0	0	0	116.3
6	W	53.9	Low	51.5	Low	242 Å²	242	148.3 Å²	148.3	92%	0.917	84%	0.835	S	S	*	*			trans	-107.9	89	133.2	-82	86.5	0	0	0	110.2
7	L	53.3	Low	51.4	Low	133 Å²	133	145.4 Å²	145.4	70%	0.696	83%	0.834	S	S	*	*			trans	36.8	103.3	136	-60.7	172	0	0	0	118.1	F9	L7-F9 PolarHBondContact O-N 3.46Å
8	L	58	Low	51.2	Low	169 Å²	169	141.6 Å²	141.6	89%	0.885	83%	0.831	S	S	*	*			trans	-13.7	108.8	136.7	-68.5	155.1	0	0	0	114.5
9	F	53.7	Low	50.7	Low	218 Å²	218	143 Å²	143	96%	0.956	83%	0.834	S	S	*	*			trans	-157.7	112.4	146.7	-122.7	-77.3	0	0	0	112.6	L7	L7-F9 PolarHBondContact O-N 3.46Å
10	G	54.8	Low	51.1	Low	68 Å²	68	142.2 Å²	142.2	70%	0.701	83%	0.831	S	S	*	*			trans	76.2	101.4	158.6	0	0	0	0	0	118.3
11	L	52.5	Low	51	Low	162 Å²	162	141.5 Å²	141.5	85%	0.848	83%	0.831	S	S	*	*			trans	-154.6	101.4	130.4	-110.5	157.4	0	0	0	111.7
12	T	52	Low	51	Low	124 Å²	124	135.3 Å²	135.3	76%	0.761	81%	0.809	S	S	*	*			trans	52.3	105.3	153.4	50.3	0	0	0	0	120.5
13	V	52.4	Low	50.3	Low	147 Å²	147	131.3 Å²	131.3	89%	0.891	80%	0.802	S	S	*	*			trans	-69.4	124.6	153.3	172.6	0	0	0	0	110.3
14	T	48	Very low	49.9	Very low	133 Å²	133	134.5 Å²	134.5	82%	0.816	81%	0.806	S	S	*	*			trans	-178.4	140.4	160.9	-81.4	0	0	0	0	105.8
15	S	44.5	Very low	49	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	82%	0.818	S	S	*	*			cis	-133.8	165.1	24.1	-165.2	0	0	0	0	113.5
16	A	45.3	Very low	48.3	Very low	94 Å²	94	133.9 Å²	133.9	78%	0.777	82%	0.819	S	S	*	*			trans	-96.1	145	169.1	0	0	0	0	0	111.5
17	A	49.5	Very low	47.7	Very low	99 Å²	99	130.1 Å²	130.1	82%	0.818	82%	0.816	S	S	*	*			trans	-135.3	112.6	157	0	0	0	0	0	106.8
18	G	47.3	Very low	47.1	Very low	77 Å²	77	128.5 Å²	128.5	79%	0.794	82%	0.823	S	S	*	*			trans	-77.2	134.8	-172.3	0	0	0	0	0	112.5
19	L	42.3	Very low	46.2	Very low	168 Å²	168	123.8 Å²	123.8	88%	0.88	81%	0.814	S	S	*	*			trans	-112.1	124.6	164.4	-68.2	179.2	0	0	0	109.3	P21	L19-P21 WeakPolarHBondContact O-CD 3.37Å
20	V	58.1	Low	45.6	Very low	127 Å²	127	125.4 Å²	125.4	77%	0.77	81%	0.814	S	S	*	*			trans	-80.1	125.1	177.8	174.2	0	0	0	0	109.7	C22	V20-C22 HydrophobicContact CG1-CB 4.38Å
21	P	48.9	Very low	44.5	Very low	128 Å²	128	133.6 Å²	133.6	83%	0.831	82%	0.824	S	S	*	*			trans	-101.8	104.2	165.1	20.2	-1.3	0	0	0	109.7	L19	L19-P21 WeakPolarHBondContact O-CD 3.37Å
22	C	39.8	Very low	43.8	Very low	103 Å²	103	129.4 Å²	129.4	70%	0.696	82%	0.82	S	S	*	*			trans	-116	134.7	170.3	-83.8	0	0	0	0	111.7	V20	V20-C22 HydrophobicContact CG1-CB 4.38Å
23	S	35.4	Very low	43	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	82%	0.824	S	S	*	*			trans	68.1	100	153	-55.4	0	0	0	0	119.7
24	Q	45.2	Very low	42.3	Very low	192 Å²	192	128.2 Å²	128.2	90%	0.897	82%	0.817	S	S	*	*				31.5	129.3	123.6	-59.6	-175.6	47.3	0	0	119.9
25	S	37.6	Very low	41.6	Very low	124 Å²	124	130.9 Å²	130.9	87%	0.867	82%	0.82	S	S	*	*				-152.5	150	98	68.1	0	0	0	0	110.1
26	G	42.4	Very low	41.1	Very low	82 Å²	82	132 Å²	132	85%	0.845	82%	0.821	S	S	*	*			trans	-112.8	134.9	177	0	0	0	0	0	111.2
27	D	40.9	Very low	41.1	Very low	163 Å²	163	132.5 Å²	132.5	87%	0.872	82%	0.817	S	S	*	*			trans	-129.9	117.8	156.7	179.6	44.9	0	0	0	109.7
28	A	41	Very low	40.2	Very low	100 Å²	100	134.1 Å²	134.1	83%	0.826	82%	0.817	S	S	*	*			trans	-169.7	114.6	170.8	0	0	0	0	0	109
29	G	37.6	Very low	39.6	Very low	69 Å²	69	135.2 Å²	135.2	71%	0.711	82%	0.818	S	S	*	*			trans	147.5	45.6	169.8	0	0	0	0	0	117.9	R31	G29-R31 PolarHBondContact O-N 3.42Å
30	R	41.3	Very low	39.2	Very low	252 Å²	252	131.9 Å²	131.9	95%	0.951	82%	0.815	S	S	*	*			trans	-43.3	113.5	164.6	172	-158.8	-84.5	-105.1	1.4	110.5
31	R	31.9	Very low	37.9	Very low	241 Å²	241	135.4 Å²	135.4	91%	0.909	82%	0.815	S	S	*	*			trans	-137.3	90.1	163.6	-150.7	-162.2	-51.3	-100.5	5.9	110.2	G29	G29-R31 PolarHBondContact O-N 3.42Å
32	G	38.8	Very low	37.4	Very low	73 Å²	73	133.6 Å²	133.6	75%	0.753	81%	0.805	S	S	*	*			trans	-86.5	123.6	175.3	0	0	0	0	0	111.3
33	V	34.9	Very low	37.4	Very low	142 Å²	142	135.7 Å²	135.7	86%	0.861	80%	0.804	S	S	*	*			trans	-146.5	149	164.6	138.2	0	0	0	0	107.3
34	S	38.1	Very low	37.4	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	81%	0.807	S	S	*	*			trans	-60.4	145.2	-165.7	-47.8	0	0	0	0	115.9
35	Q	32.5	Very low	36.6	Very low	189 Å²	189	132.7 Å²	132.7	88%	0.883	81%	0.805	S	S	*	*				-161.3	145.4	124.7	-111	155.9	108.1	0	0	114.1
36	V	34.9	Very low	36.7	Very low	137 Å²	137	131.2 Å²	131.2	83%	0.83	79%	0.793	S	S	*	*			trans	-145.8	122.9	168.9	166.4	0	0	0	0	102.6
37	P	45	Very low	36.9	Very low	106 Å²	106	135.7 Å²	135.7	69%	0.688	79%	0.792	S	S	*	*				-153.6	151.7	89	38.2	-18	0	0	0	118.9
38	T	30.4	Very low	36.6	Very low	132 Å²	132	135.8 Å²	135.8	81%	0.81	79%	0.787	S	S	*	*			trans	60.9	104.4	134.6	-50.8	0	0	0	0	123
39	A	34.9	Very low	36.2	Very low	100 Å²	100	136.6 Å²	136.6	83%	0.826	78%	0.782	S	S	*	*				43.4	119.5	129.3	0	0	0	0	0	124.6
40	A	33.5	Very low	35.9	Very low	98 Å²	98	139.4 Å²	139.4	81%	0.81	79%	0.785	S	S	*	*			trans	-153.1	131.3	133.6	0	0	0	0	0	105.9
41	R	30	Very low	35.5	Very low	202 Å²	202	132.1 Å²	132.1	76%	0.762	78%	0.779	S	S	*	*			cis	86.5	133.4	48.1	-176.9	170.2	-178.6	117.8	21.5	113.7	E43	R41-E43 IonicContact CZ-OE2 3.01Å; R41-E43 IonicContact NE-OE2 2.77Å; R41-E43 PolarHBondContact NE-OE2 2.97Å; R41-E43 VanDerWaalsContact NH2-CD 3.28Å; R41-E43 IonicContact NH2-OE1 3.99Å; R41-E43 PolarHBondContact NH2-OE1 3.49Å; R41-E43 IonicContact NH2-OE2 3.52Å; R41-E43 PolarHBondContact NH2-OE2 3.22Å
42	S	40	Very low	35.6	Very low	89 Å²	89	124.3 Å²	124.3	62%	0.622	77%	0.773	S	S	*	*			trans	77.8	151.2	168.5	-63.6	0	0	0	0	117.4
43	E	38.2	Very low	36.2	Very low	148 Å²	148	127.3 Å²	127.3	69%	0.692	78%	0.779	S	S	*	*			cis	-174.9	149.5	-38.6	-111.7	151.2	135.5	0	0	107.5	R41	R41-E43 IonicContact CZ-OE2 3.01Å; R41-E43 IonicContact NE-OE2 2.77Å; R41-E43 PolarHBondContact NE-OE2 2.97Å; R41-E43 VanDerWaalsContact NH2-CD 3.28Å; R41-E43 IonicContact NH2-OE1 3.99Å; R41-E43 PolarHBondContact NH2-OE1 3.49Å; R41-E43 IonicContact NH2-OE2 3.52Å; R41-E43 PolarHBondContact NH2-OE2 3.22Å
44	G	35.9	Very low	36.2	Very low	78 Å²	78	124.1 Å²	124.1	80%	0.804	78%	0.775	S	S	*	*			trans	92.5	148.3	179.4	0	0	0	0	0	115.2
45	D	28.5	Very low	35.9	Very low	158 Å²	158	128.7 Å²	128.7	85%	0.845	79%	0.785	S	S	*	*			cis	-150.3	174.2	-3.6	-154.9	-174.6	0	0	0	112.7
46	C	39.4	Very low	36	Very low	92 Å²	92	122.7 Å²	122.7	62%	0.622	77%	0.774	S	S	*	*			trans	-77.2	-179.8	-169.7	74.5	0	0	0	0	115
47	E	46.8	Very low	35.8	Very low	177 Å²	177	122.7 Å²	122.7	83%	0.827	77%	0.774	S	S	*	*			cis	-158.6	-165.9	-10.1	-130.1	159.6	-32.1	0	0	106.3
48	E	34.7	Very low	35.3	Very low	165 Å²	165	124.1 Å²	124.1	77%	0.771	78%	0.781	S	S	*	*			cis	-160.4	162	-1.8	146.9	166.8	37.1	0	0	103.9
49	T	32.2	Very low	35.6	Very low	116 Å²	116	122 Å²	122	71%	0.712	78%	0.777	S	S	*	*			cis	-147.7	-171.2	18.8	-152.4	0	0	0	0	113.6
50	V	32.8	Very low	36.3	Very low	129 Å²	129	122.8 Å²	122.8	78%	0.782	77%	0.773	S	S	*	*			trans	-104.5	146.3	175.2	160.5	0	0	0	0	112.6
51	A	31.4	Very low	36.3	Very low	99 Å²	99	124.6 Å²	124.6	82%	0.818	78%	0.775	S	S	*	*			trans	-176.1	120.4	140.7	0	0	0	0	0	116.7
52	G	35.2	Very low	36.7	Very low	76 Å²	76	119.5 Å²	119.5	78%	0.784	78%	0.775	S	S	*	*				90.5	142.4	124.6	0	0	0	0	0	121.6
53	P	51.8	Low	36.7	Very low	137 Å²	137	123.4 Å²	123.4	89%	0.89	79%	0.789	S	S	*	*			trans	-123.6	174.4	173	42.4	-30.5	0	0	0	115.4
54	G	34.3	Very low	36.7	Very low	75 Å²	75	125 Å²	125	77%	0.773	80%	0.796	S	S	*	*			trans	95.9	154.2	176.7	0	0	0	0	0	113.2
55	E	32	Very low	36.5	Very low	199 Å²	199	125 Å²	125	93%	0.93	80%	0.796	S	S	*	*			cis	-145.6	145.8	-3.6	-126.3	169.3	87.1	0	0	105.6
56	G	34.6	Very low	37.2	Very low	63 Å²	63	123 Å²	123	65%	0.649	79%	0.791	S	S	*	*				92.6	98.9	61.7	0	0	0	0	0	111.8
57	T	30.2	Very low	37.2	Very low	137 Å²	137	123.9 Å²	123.9	84%	0.84	80%	0.799	S	S	*	*			trans	-175.2	118.9	158.9	-87.1	0	0	0	0	114.2
58	V	33.8	Very low	36.9	Very low	137 Å²	137	121.8 Å²	121.8	83%	0.83	80%	0.801	S	S	*	*			trans	55.6	116	146.1	-177.5	0	0	0	0	121.5
59	A	37.5	Very low	36.7	Very low	87 Å²	87	116.7 Å²	116.7	72%	0.719	79%	0.792	S	S	*	*			trans	-105.5	176.4	148.4	0	0	0	0	0	108.4
60	P	50.3	Low	37	Very low	116 Å²	116	116.8 Å²	116.8	75%	0.753	80%	0.798	S	S	*	*			cis	-139	-179.1	10.6	43.9	-26.6	0	0	0	115.9
61	T	32.7	Very low	37.5	Very low	137 Å²	137	116.3 Å²	116.3	84%	0.84	80%	0.797	S	S	*	*			trans	-151.9	132.3	141.4	-76.2	0	0	0	0	108.3
62	A	38.7	Very low	37.5	Very low	94 Å²	94	115.5 Å²	115.5	78%	0.777	80%	0.799	S	S	*	*			trans	-109.7	137	176	0	0	0	0	0	110.1
63	L	40.6	Very low	37.9	Very low	172 Å²	172	120.4 Å²	120.4	90%	0.901	80%	0.801	S	S	*	*			trans	-139.3	136.3	164.5	-125.9	166.9	0	0	0	108.2
64	Q	37.3	Very low	37.3	Very low	180 Å²	180	121.4 Å²	121.4	84%	0.841	79%	0.794	S	S	*	*			trans	-95.1	152.8	-164.9	-58.3	170.9	15.4	0	0	111.5
65	G	31.8	Very low	37.4	Very low	79 Å²	79	127 Å²	127	81%	0.814	80%	0.8	S	S	*	*			trans	-169	89	169.8	0	0	0	0	0	114
66	P	42.3	Very low	37.8	Very low	115 Å²	115	123.6 Å²	123.6	75%	0.747	79%	0.793	S	S	*	*			trans	-104.8	158.1	173.4	9.8	11.8	0	0	0	113.5
67	S	39.7	Very low	38	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	80%	0.799	S	S	*	*			trans	70.9	160.1	177.5	-114.4	0	0	0	0	115.3
68	P	41	Very low	38.7	Very low	132 Å²	132	128.4 Å²	128.4	86%	0.857	81%	0.805	S	S	*	*			cis	-88.3	170.7	17.4	36.7	-37.8	0	0	0	115
69	G	30.5	Very low	39	Very low	58 Å²	58	125 Å²	125	60%	0.598	80%	0.797	S	S	*	*			cis	138	77.3	-5.4	0	0	0	0	0	114.5
70	S	38.7	Very low	39.6	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	80%	0.798	S	S	*	*			trans	-166.6	128.9	162.6	-81.8	0	0	0	0	108.8
71	P	43.9	Very low	39.4	Very low	119 Å²	119	125 Å²	125	77%	0.773	80%	0.797	S	S	*	*				-126	136.6	89.3	36	-30.5	0	0	0	113.2	Q73	P71-Q73 PolarHBondContact O-N 2.97Å
72	G	31.8	Very low	40.7	Very low	82 Å²	82	126.3 Å²	126.3	85%	0.845	79%	0.794	S	S	*	*			trans	-80.5	101.6	172.5	0	0	0	0	0	111.5
73	Q	42.3	Very low	41.6	Very low	180 Å²	180	130.4 Å²	130.4	84%	0.841	80%	0.797	S	S	*	*			trans	-125	99.2	165.4	-74	-174.8	-22.8	0	0	108.6	P71	P71-Q73 PolarHBondContact O-N 2.97Å
74	E	39.2	Very low	42.5	Very low	157 Å²	157	127.9 Å²	127.9	73%	0.734	78%	0.78	S	S	*	*			trans	-159.9	105	164.8	-173.9	68.7	107.8	0	0	110
75	Q	37.7	Very low	43.8	Very low	192 Å²	192	129.9 Å²	129.9	90%	0.897	78%	0.78	S	S	*	*			trans	-157.1	104.6	138.4	-80.7	-141.5	-20.6	0	0	107.5
76	V	39.7	Very low	45.1	Very low	129 Å²	129	130 Å²	130	78%	0.782	77%	0.768	S	S	*	*			trans	-70.9	125.6	173	175.7	0	0	0	0	110
77	A	37.9	Very low	46.2	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	75%	0.752	S	S	*	*			trans	-128.2	128.4	155.6	0	0	0	0	0	107.5	G79	A77-G79 PolarHBondContact O-N 3.42Å
78	E	44.8	Very low	47.3	Very low	206 Å²	206	131.2 Å²	131.2	96%	0.963	74%	0.741	S	S	*	*			trans	-69.2	118.1	-175	-170.5	-172.5	133.6	0	0	111
79	G	41.3	Very low	49	Very low	64 Å²	64	126.8 Å²	126.8	66%	0.66	71%	0.713	S	S	*	*			trans	-160.5	143.3	173.3	0	0	0	0	0	108.7	A77	A77-G79 PolarHBondContact O-N 3.42Å
80	A	48.9	Very low	51	Low	90 Å²	90	126.3 Å²	126.3	74%	0.744	70%	0.698	S	S	*	*			trans	-58.6	146.2	180	0	0	0	0	0	110.7	E82	A80-E82 VanDerWaalsContact C-N 3.26Å; A80-E82 PolarHBondContact O-N 3.32Å
81	P	47.5	Very low	52.7	Low	113 Å²	113	122.4 Å²	122.4	73%	0.734	67%	0.67	S	S	*	*			trans	-71.2	83.3	178.1	30.4	-35.3	0	0	0	110.1	H83	P81-H83 PolarHBondContact O-N 3.03Å
82	E	59.1	Low	53.8	Low	166 Å²	166	125.4 Å²	125.4	78%	0.776	67%	0.671	S	S	*	*			trans	-49.5	126.2	158.6	-73.9	-155.5	116.5	0	0	107.6	A80 H84	A80-E82 VanDerWaalsContact C-N 3.26Å; A80-E82 PolarHBondContact O-N 3.32Å; E82-H84 PolarHBondContact O-N 3.12Å
83	H	56.6	Low	55.5	Low	180 Å²	180	124 Å²	124	83%	0.833	65%	0.646	S	S	*	*			trans	-73.3	73.2	-176.9	-67.6	-49.6	0	0	0	110.7	P81 R85	P81-H83 PolarHBondContact O-N 3.03Å; H83-R85 VanDerWaalsContact C-N 3.29Å; H83-R85 PolarHBondContact O-N 3.28Å
84	H	59.9	Low	56.6	Low	119 Å²	119	125.1 Å²	125.1	55%	0.551	65%	0.645	S	S	*	*			trans	-54.2	94.1	164.7	-94.1	-65.5	0	0	0	108.5	E82 R87 D106	E82-H84 PolarHBondContact O-N 3.12Å; H84-R87 PolarHBondContact CE1-NH2 3.26Å; H84-R87 VanDerWaalsContact CE1-NH2 3.33Å; H84-D106 IonicContact CE1-OD2 3.47Å; H84-D106 PolarHBondContact CE1-OD2 2.87Å; H84-D106 IonicContact CG-OD2 2.78Å; H84-D106 IonicContact ND1-OD2 3.43Å; H84-D106 PolarHBondContact ND1-OD2 3.2Å
85	R	65.1	Low	58	Low	221 Å²	221	126.5 Å²	126.5	83%	0.834	65%	0.648	S	S	*	*			trans	-58.9	142.5	168.7	-77.7	-169.5	166.3	113.3	-0.5	108	H83 R87	H83-R85 VanDerWaalsContact C-N 3.29Å; H83-R85 PolarHBondContact O-N 3.28Å; R85-R87 PolarHBondContact O-N 3.01Å
86	S	60.1	Low	59.8	Low	81 Å²	81	120.5 Å²	120.5	57%	0.566	62%	0.622	S	S	*	*			trans	-40.6	113.5	172.6	62.2	0	0	0	0	110.3	R88	S86-R88 WeakPolarHBondContact O-CG 3.03Å; S86-R88 PolarHBondContact O-N 3.04Å; S86-R88 PolarHBondContact OG-NE 3.4Å
87	R	64.3	Low	61.5	Low	111 Å²	111	122.4 Å²	122.4	42%	0.419	62%	0.62	S	S	.	*			trans	-59.9	127.1	-170.9	-54.1	-166.1	177.5	-117.2	12.3	109.9	H84 R85 C103 H104 D106	H84-R87 PolarHBondContact CE1-NH2 3.26Å; H84-R87 VanDerWaalsContact CE1-NH2 3.33Å; R85-R87 PolarHBondContact O-N 3.01Å; R87-C103 PolarHBondContact NH1-O 2.78Å; R87-H104 VanDerWaalsContact CZ-O 3.23Å; R87-H104 VanDerWaalsContact NH1-CA 3.35Å; R87-H104 PolarHBondContact NH1-O 3.02Å; R87-H104 PolarHBondContact NH2-O 3.11Å; R87-D106 VanDerWaalsContact CD-OD1 3.26Å; R87-D106 WeakPolarHBondContact CD-OD1 3.4Å; R87-D106 WeakPolarHBondContact CG-OD1 3.25Å; R87-D106 IonicContact CZ-OD1 3.51Å; R87-D106 IonicContact CZ-OD2 3.15Å; R87-D106 IonicContact NE-OD1 3.63Å; R87-D106 IonicContact NE-OD2 3.39Å; R87-D106 VanDerWaalsContact NH1-N 3.1Å; R87-D106 IonicContact NH1-OD1 2.78Å; R87-D106 PolarHBondContact NH1-OD1 3.03Å; R87-D106 IonicContact NH1-OD2 3.73Å; R87-D106 PolarHBondContact NH1-OD2 2.79Å; R87-D106 VanDerWaalsContact NH1-OD2 3.15Å
88	R	63.5	Low	63.7	Low	142 Å²	142	123.4 Å²	123.4	54%	0.536	61%	0.608	S	S	.	*			trans	-130.4	84.9	-174.7	-77.2	157.1	177.2	-86.7	-0.6	108.3	S86 W109 I110 N111	S86-R88 WeakPolarHBondContact O-CG 3.03Å; S86-R88 PolarHBondContact O-N 3.04Å; S86-R88 PolarHBondContact OG-NE 3.4Å; R88-W109 CarbonylContact O-C 3.43Å; R88-W109 VanDerWaalsContact O-CA 3.29Å; R88-W109 WeakPolarHBondContact O-CA 3.37Å; R88-I110 CarbonylContact C-O 3.45Å; R88-I110 CarbonylContact O-C 3.47Å; R88-I110 PolarHBondContact O-N 3.48Å; R88-N111 WeakPolarHBondContact CB-ND2 3.16Å; R88-N111 WeakPolarHBondContact CD-OD1 3.46Å; R88-N111 PolarHBondContact NH1-OD1 3.07Å; R88-N111 VanDerWaalsContact NH1-OD1 3.15Å
89	C	76.6	Confident	65.2	Low	40 Å²	40	114.9 Å²	114.9	27%	0.27	57%	0.571	S	S	.	*			trans	-127.2	144.2	175.5	76.3	0	0	0	0	109.5	C103 I108 I110	C89-C103 HydrophobicContact CB-CB 3.79Å; C89-C103 WeakPolarHBondContact CB-SG 3.4Å; C89-C103 WeakPolarHBondContact SG-CB 2.99Å; C89-C103 CovalentContact SG-SG 2.03Å; C89-C103 PolarHBondContact SG-SG 3.41Å; C89-I108 WeakPolarHBondContact CB-O 3.26Å; C89-I110 WeakPolarHBondContact CA-O 3.37Å
90	T	72.9	Confident	67.1	Low	48 Å²	48	113.9 Å²	113.9	29%	0.294	55%	0.552	S	S	.	*			trans	-113.6	70.2	177.6	53.1	0	0	0	0	110.5	I110	T90-I110 PolarHBondContact N-O 3.3Å; T90-I110 WeakPolarHBondContact OG1-CG2 3.34Å
91	C	74	Confident	68.8	Low	36 Å²	36	114.9 Å²	114.9	24%	0.243	54%	0.538	C	S	.	.			trans	-65.7	133.4	170.2	-64.5	0	0	0	0	110.2	T93 C99	C91-T93 PolarHBondContact O-N 2.04Å; C91-C99 WeakPolarHBondContact CA-SG 3.2Å; C91-C99 HydrophobicContact CB-CB 3.88Å; C91-C99 WeakPolarHBondContact CB-SG 3.32Å; C91-C99 WeakPolarHBondContact SG-CB 3.28Å; C91-C99 PolarHBondContact SG-O 2.78Å; C91-C99 VanDerWaalsContact SG-O 3.41Å; C91-C99 CovalentContact SG-SG 2.04Å; C91-C99 PolarHBondContact SG-SG 3.45Å
92	F	66	Low	70.4	Confident	181 Å²	181	113.7 Å²	113.7	79%	0.794	52%	0.519	S	S	*	.	S	Bend	trans	-65	-39.6	-174.1	-177.4	-112.9	0	0	0	111.9
93	T	67.3	Low	71.4	Confident	52 Å²	52	106.4 Å²	106.4	32%	0.319	49%	0.486	S	S	.	.			trans	-143.1	162.1	169.3	72.2	0	0	0	0	111.9	C91 K95 D96	C91-T93 PolarHBondContact O-N 2.04Å; T93-K95 PolarHBondContact O-N 3.08Å; T93-K95 WeakPolarHBondContact OG1-CB 3.39Å; T93-K95 PolarHBondContact OG1-N 2.92Å; T93-K95 VanDerWaalsContact OG1-N 3.09Å; T93-D96 WeakPolarHBondContact CA-OD2 3.12Å; T93-D96 WeakPolarHBondContact CB-OD2 3.09Å; T93-D96 PolarHBondContact N-OD2 2.04Å; T93-D96 WeakPolarHBondContact O-CB 3.37Å; T93-D96 PolarHBondContact O-N 3.23Å; T93-D96 VanDerWaalsContact O-OD2 3.14Å; T93-D96 PolarHBondContact OG1-N 3.42Å; T93-D96 PolarHBondContact OG1-OD2 3.3Å
94	Y	66.1	Low	72.6	Confident	205 Å²	205	102.7 Å²	102.7	80%	0.804	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-4.6	166.8	-172.6	-105.3	0	0	0	113.3	D96 V100	Y94-D96 VanDerWaalsContact C-N 3.34Å; Y94-V100 HydrophobicContact CD2-CG1 4.35Å; Y94-V100 HydrophobicContact CD2-CG2 3.99Å; Y94-V100 HydrophobicContact CE2-CG1 4.01Å; Y94-V100 HydrophobicContact CE2-CG2 4.44Å
95	K	68	Low	73.8	Confident	186 Å²	186	100.4 Å²	100.4	81%	0.809	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-20.2	172.9	-56.7	-178.2	178.1	179.9	0	112	T93 K97	T93-K95 PolarHBondContact O-N 3.08Å; T93-K95 WeakPolarHBondContact OG1-CB 3.39Å; T93-K95 PolarHBondContact OG1-N 2.92Å; T93-K95 VanDerWaalsContact OG1-N 3.09Å; K95-K97 PolarHBondContact O-N 2.8Å
96	D	76.6	Confident	74	Confident	65 Å²	65	92.1 Å²	92.1	35%	0.348	43%	0.433	S	S	.	.			trans	-75.7	73.3	179.8	-58.3	-60.9	0	0	0	110.4	T93 Y94 E98 C99 V100	T93-D96 WeakPolarHBondContact CA-OD2 3.12Å; T93-D96 WeakPolarHBondContact CB-OD2 3.09Å; T93-D96 PolarHBondContact N-OD2 2.04Å; T93-D96 WeakPolarHBondContact O-CB 3.37Å; T93-D96 PolarHBondContact O-N 3.23Å; T93-D96 VanDerWaalsContact O-OD2 3.14Å; T93-D96 PolarHBondContact OG1-N 3.42Å; T93-D96 PolarHBondContact OG1-OD2 3.3Å; Y94-D96 VanDerWaalsContact C-N 3.34Å; D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.22Å; D96-C99 HydrophobicContact CB-CB 3.92Å; D96-C99 WeakPolarHBondContact O-CA 3.3Å; D96-C99 WeakPolarHBondContact O-CB 3.27Å; D96-C99 PolarHBondContact O-N 2.84Å; D96-V100 PolarHBondContact O-N 3.25Å
97	K	75.7	Confident	74.7	Confident	169 Å²	169	93.7 Å²	93.7	74%	0.735	43%	0.434	S	S	*	.	H	α-helix	trans	-51.1	-42.4	-173	-70.2	-118	179.4	179.7	0	113	K95 V100 Y101	K95-K97 PolarHBondContact O-N 2.8Å; K97-V100 PolarHBondContact O-N 3.49Å; K97-Y101 VanDerWaalsContact O-CB 3.23Å; K97-Y101 WeakPolarHBondContact O-CB 3.47Å; K97-Y101 PolarHBondContact O-N 2.86Å
98	E	82.3	Confident	75	Confident	117 Å²	117	89.4 Å²	89.4	55%	0.547	42%	0.419	S	S	.	.	H	α-helix	trans	-61.3	-43.3	175	-60.7	-54.5	108.3	0	0	112.3	D96 Y101 Y102	D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.22Å; E98-Y101 WeakPolarHBondContact O-CB 3.41Å; E98-Y101 PolarHBondContact O-N 2.93Å; E98-Y102 HydrophobicContact CB-CD2 4.4Å; E98-Y102 HydrophobicContact CB-CE2 4.14Å; E98-Y102 WeakPolarHBondContact O-CD2 3.46Å; E98-Y102 PolarHBondContact O-N 3.41Å; E98-Y102 WeakPolarHBondContact OE2-CE2 3.45Å; E98-Y102 PolarHBondContact OE2-OH 2.83Å
99	C	78.2	Confident	75.5	Confident	27 Å²	27	91.7 Å²	91.7	18%	0.182	43%	0.428	C	S	.	.	H	α-helix	trans	-66.3	-45.1	178.6	-171.5	0	0	0	0	111.3	C91 D96 Y101 C103	C91-C99 WeakPolarHBondContact CA-SG 3.2Å; C91-C99 HydrophobicContact CB-CB 3.88Å; C91-C99 WeakPolarHBondContact CB-SG 3.32Å; C91-C99 WeakPolarHBondContact SG-CB 3.28Å; C91-C99 PolarHBondContact SG-O 2.78Å; C91-C99 VanDerWaalsContact SG-O 3.41Å; C91-C99 CovalentContact SG-SG 2.04Å; C91-C99 PolarHBondContact SG-SG 3.45Å; D96-C99 HydrophobicContact CB-CB 3.92Å; D96-C99 WeakPolarHBondContact O-CA 3.3Å; D96-C99 WeakPolarHBondContact O-CB 3.27Å; D96-C99 PolarHBondContact O-N 2.84Å; C99-Y101 PolarHBondContact O-N 3.47Å; C99-C103 WeakPolarHBondContact O-CB 3.14Å; C99-C103 PolarHBondContact O-N 3.08Å
100	V	80.6	Confident	75	Confident	43 Å²	43	91.2 Å²	91.2	26%	0.261	42%	0.422	S	S	.	.	H	α-helix	trans	-63.4	-33.3	174.7	-180	0	0	0	0	111	Y94 D96 K97 H104	Y94-V100 HydrophobicContact CD2-CG1 4.35Å; Y94-V100 HydrophobicContact CD2-CG2 3.99Å; Y94-V100 HydrophobicContact CE2-CG1 4.01Å; Y94-V100 HydrophobicContact CE2-CG2 4.44Å; D96-V100 PolarHBondContact O-N 3.25Å; K97-V100 PolarHBondContact O-N 3.49Å; V100-H104 PolarHBondContact O-N 3.27Å; V100-H104 PolarHBondContact O-ND1 3.03Å
101	Y	83.4	Confident	74.2	Confident	111 Å²	111	92.3 Å²	92.3	44%	0.435	43%	0.426	S	S	.	.	H	α-helix	trans	-65.4	-63.7	174.9	-174	-96.4	0	0	0	111.5	K97 E98 C99 C103 H104 L105	K97-Y101 VanDerWaalsContact O-CB 3.23Å; K97-Y101 WeakPolarHBondContact O-CB 3.47Å; K97-Y101 PolarHBondContact O-N 2.86Å; E98-Y101 WeakPolarHBondContact O-CB 3.41Å; E98-Y101 PolarHBondContact O-N 2.93Å; C99-Y101 PolarHBondContact O-N 3.47Å; Y101-C103 PolarHBondContact O-N 3.36Å; Y101-H104 WeakPolarHBondContact CA-ND1 3.48Å; Y101-H104 AromaticContact CD2-CE1 3.6Å; Y101-H104 PolarHBondContact O-N 3.03Å; Y101-H104 VanDerWaalsContact O-N 3.08Å; Y101-H104 PolarHBondContact O-ND1 2.74Å; Y101-H104 VanDerWaalsContact O-ND1 3.12Å; Y101-L105 HydrophobicContact CE1-CD1 4.42Å; Y101-L105 HydrophobicContact CE1-CD2 3.78Å; Y101-L105 HydrophobicContact CE2-CD1 4.46Å; Y101-L105 PolarHBondContact O-N 3.23Å
102	Y	81.2	Confident	73.3	Confident	87 Å²	87	95 Å²	95	34%	0.341	44%	0.442	S	S	.	.	H	α-helix	trans	-68.3	-19.7	-177.7	-58.3	-62.6	0	0	0	113.8	E98 D106 I107 I108	E98-Y102 HydrophobicContact CB-CD2 4.4Å; E98-Y102 HydrophobicContact CB-CE2 4.14Å; E98-Y102 WeakPolarHBondContact O-CD2 3.46Å; E98-Y102 PolarHBondContact O-N 3.41Å; E98-Y102 WeakPolarHBondContact OE2-CE2 3.45Å; E98-Y102 PolarHBondContact OE2-OH 2.83Å; Y102-D106 PolarHBondContact O-N 2.96Å; Y102-I107 HydrophobicContact CD1-CD1 4.22Å; Y102-I107 PolarHBondContact O-N 3.25Å; Y102-I107 VanDerWaalsContact O-N 3.13Å; Y102-I108 HydrophobicContact CD2-CD1 4.4Å; Y102-I108 HydrophobicContact CG-CD1 4.41Å; Y102-I108 PolarHBondContact O-N 3.15Å
103	C	81.8	Confident	72.7	Confident	14 Å²	14	91.2 Å²	91.2	10%	0.095	44%	0.435	C	S	.	.	H	α-helix	trans	-70.9	-40.4	169.2	178	0	0	0	0	112.7	R87 C89 C99 Y101 L105 D106	R87-C103 PolarHBondContact NH1-O 2.78Å; C89-C103 HydrophobicContact CB-CB 3.79Å; C89-C103 WeakPolarHBondContact CB-SG 3.4Å; C89-C103 WeakPolarHBondContact SG-CB 2.99Å; C89-C103 CovalentContact SG-SG 2.03Å; C89-C103 PolarHBondContact SG-SG 3.41Å; C99-C103 WeakPolarHBondContact O-CB 3.14Å; C99-C103 PolarHBondContact O-N 3.08Å; Y101-C103 PolarHBondContact O-N 3.36Å; C103-L105 PolarHBondContact O-N 3.46Å; C103-D106 PolarHBondContact O-N 2.94Å
104	H	80.7	Confident	72.2	Confident	101 Å²	101	97.5 Å²	97.5	47%	0.468	46%	0.461	S	S	.	.	H	α-helix	trans	-78.1	-3	174.5	82	-97	0	0	0	113.9	R87 V100 Y101	R87-H104 VanDerWaalsContact CZ-O 3.23Å; R87-H104 VanDerWaalsContact NH1-CA 3.35Å; R87-H104 PolarHBondContact NH1-O 3.02Å; R87-H104 PolarHBondContact NH2-O 3.11Å; V100-H104 PolarHBondContact O-N 3.27Å; V100-H104 PolarHBondContact O-ND1 3.03Å; Y101-H104 WeakPolarHBondContact CA-ND1 3.48Å; Y101-H104 AromaticContact CD2-CE1 3.6Å; Y101-H104 PolarHBondContact O-N 3.03Å; Y101-H104 VanDerWaalsContact O-N 3.08Å; Y101-H104 PolarHBondContact O-ND1 2.74Å; Y101-H104 VanDerWaalsContact O-ND1 3.12Å
105	L	86.2	Confident	71.7	Confident	71 Å²	71	95.6 Å²	95.6	37%	0.372	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	0.6	162.6	-85.6	60.2	0	0	0	113.2	Y101 C103 I107	Y101-L105 HydrophobicContact CE1-CD1 4.42Å; Y101-L105 HydrophobicContact CE1-CD2 3.78Å; Y101-L105 HydrophobicContact CE2-CD1 4.46Å; Y101-L105 PolarHBondContact O-N 3.23Å; C103-L105 PolarHBondContact O-N 3.46Å; L105-I107 HydrophobicContact CB-CD1 3.78Å; L105-I107 HydrophobicContact CB-CG1 4.02Å; L105-I107 HydrophobicContact CD2-CD1 3.87Å; L105-I107 HydrophobicContact CG-CD1 4.45Å; L105-I107 PolarHBondContact O-N 2.98Å
106	D	68.2	Low	71.1	Confident	47 Å²	47	89.3 Å²	89.3	25%	0.251	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	7.8	-174.4	-79.1	-20	0	0	0	116.2	H84 R87 Y102 C103 I108	H84-D106 IonicContact CE1-OD2 3.47Å; H84-D106 PolarHBondContact CE1-OD2 2.87Å; H84-D106 IonicContact CG-OD2 2.78Å; H84-D106 IonicContact ND1-OD2 3.43Å; H84-D106 PolarHBondContact ND1-OD2 3.2Å; R87-D106 VanDerWaalsContact CD-OD1 3.26Å; R87-D106 WeakPolarHBondContact CD-OD1 3.4Å; R87-D106 WeakPolarHBondContact CG-OD1 3.25Å; R87-D106 IonicContact CZ-OD1 3.51Å; R87-D106 IonicContact CZ-OD2 3.15Å; R87-D106 IonicContact NE-OD1 3.63Å; R87-D106 IonicContact NE-OD2 3.39Å; R87-D106 VanDerWaalsContact NH1-N 3.1Å; R87-D106 IonicContact NH1-OD1 2.78Å; R87-D106 PolarHBondContact NH1-OD1 3.03Å; R87-D106 IonicContact NH1-OD2 3.73Å; R87-D106 PolarHBondContact NH1-OD2 2.79Å; R87-D106 VanDerWaalsContact NH1-OD2 3.15Å; Y102-D106 PolarHBondContact O-N 2.96Å; C103-D106 PolarHBondContact O-N 2.94Å; D106-I108 PolarHBondContact O-N 3.44Å
107	I	74.8	Confident	69.8	Low	115 Å²	115	90.5 Å²	90.5	59%	0.59	45%	0.446	S	S	*	.	S	Bend	trans	-63.1	-32.3	175.3	-66.5	167.6	0	0	0	110.9	Y102 L105	Y102-I107 HydrophobicContact CD1-CD1 4.22Å; Y102-I107 PolarHBondContact O-N 3.25Å; Y102-I107 VanDerWaalsContact O-N 3.13Å; L105-I107 HydrophobicContact CB-CD1 3.78Å; L105-I107 HydrophobicContact CB-CG1 4.02Å; L105-I107 HydrophobicContact CD2-CD1 3.87Å; L105-I107 HydrophobicContact CG-CD1 4.45Å; L105-I107 PolarHBondContact O-N 2.98Å
108	I	71.4	Confident	68.9	Low	20 Å²	20	87.4 Å²	87.4	10%	0.103	44%	0.443	C	S	.	.			trans	-111.9	98.7	176.1	-58.5	-177.7	0	0	0	110	C89 Y102 D106 I110 Y119	C89-I108 WeakPolarHBondContact CB-O 3.26Å; Y102-I108 HydrophobicContact CD2-CD1 4.4Å; Y102-I108 HydrophobicContact CG-CD1 4.41Å; Y102-I108 PolarHBondContact O-N 3.15Å; D106-I108 PolarHBondContact O-N 3.44Å; I108-I110 HydrophobicContact CG2-CD1 3.61Å; I108-I110 HydrophobicContact CG2-CG1 3.79Å; I108-Y119 HydrophobicContact CD1-CD2 4.17Å; I108-Y119 HydrophobicContact CD1-CE2 4.22Å
109	W	73.4	Confident	67.7	Low	191 Å²	191	90.2 Å²	90.2	72%	0.723	45%	0.45	S	S	*	.			trans	-104.3	122.6	163.7	82	-76.8	0	0	0	109.6	R88 N111	R88-W109 CarbonylContact O-C 3.43Å; R88-W109 VanDerWaalsContact O-CA 3.29Å; R88-W109 WeakPolarHBondContact O-CA 3.37Å; W109-N111 VanDerWaalsContact CE3-ND2 3.29Å; W109-N111 WeakPolarHBondContact CZ3-ND2 3.19Å
110	I	66.6	Low	66.8	Low	29 Å²	29	92.3 Å²	92.3	15%	0.149	48%	0.476	C	S	.	.			trans	-142	122.6	-179.4	-59.2	177.9	0	0	0	107.6	R88 C89 T90 I108	R88-I110 CarbonylContact C-O 3.45Å; R88-I110 CarbonylContact O-C 3.47Å; R88-I110 PolarHBondContact O-N 3.48Å; C89-I110 WeakPolarHBondContact CA-O 3.37Å; T90-I110 PolarHBondContact N-O 3.3Å; T90-I110 WeakPolarHBondContact OG1-CG2 3.34Å; I108-I110 HydrophobicContact CG2-CD1 3.61Å; I108-I110 HydrophobicContact CG2-CG1 3.79Å
111	N	55	Low	65.2	Low	71 Å²	71	98.1 Å²	98.1	38%	0.38	51%	0.505	S	S	.	.			trans	-106	5	178.5	-78.5	-98.7	0	0	0	113.1	R88 W109	R88-N111 WeakPolarHBondContact CB-ND2 3.16Å; R88-N111 WeakPolarHBondContact CD-OD1 3.46Å; R88-N111 PolarHBondContact NH1-OD1 3.07Å; R88-N111 VanDerWaalsContact NH1-OD1 3.15Å; W109-N111 VanDerWaalsContact CE3-ND2 3.29Å; W109-N111 WeakPolarHBondContact CZ3-ND2 3.19Å
112	T	56.4	Low	63.7	Low	94 Å²	94	97.5 Å²	97.5	58%	0.577	52%	0.517	S	S	*	.			trans	-131.1	115.2	-170.2	44.8	0	0	0	0	111.2	E114	T112-E114 VanDerWaalsContact C-N 3.34Å; T112-E114 PolarHBondContact O-N 3.35Å
113	P	52.7	Low	62.2	Low	101 Å²	101	100.1 Å²	100.1	66%	0.656	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-76.1	-15.9	-172.4	30.4	-36.2	0	0	0	114.5	Q115	P113-Q115 PolarHBondContact O-N 2.72Å
114	E	56.9	Low	60.5	Low	184 Å²	184	110.6 Å²	110.6	86%	0.86	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-78.7	-15.1	-167.9	-59.4	-171.5	152	0	0	115	T112	T112-E114 VanDerWaalsContact C-N 3.34Å; T112-E114 PolarHBondContact O-N 3.35Å
115	Q	56.2	Low	59.2	Low	165 Å²	165	116.7 Å²	116.7	77%	0.771	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-141.8	58.2	174.5	-69.7	-169.9	37.1	0	0	112.3	P113 V117	P113-Q115 PolarHBondContact O-N 2.72Å; Q115-V117 PolarHBondContact O-N 2.96Å
116	T	55.3	Low	57.4	Low	54 Å²	54	117 Å²	117	33%	0.331	62%	0.616	S	S	.	*			trans	-66.9	99.6	160.5	-59.9	0	0	0	0	108.6	P118	T116-P118 WeakPolarHBondContact O-CD 3.43Å
117	V	49.4	Very low	56.8	Low	90 Å²	90	119 Å²	119	55%	0.545	63%	0.633	S	S	.	*			trans	-69.8	120.6	172.7	-168.6	0	0	0	0	107.9	Q115 Y119	Q115-V117 PolarHBondContact O-N 2.96Å; V117-Y119 WeakPolarHBondContact O-CD2 3.5Å; V117-Y119 PolarHBondContact O-N 2.75Å
118	P	55.9	Low	55.9	Low	103 Å²	103	123 Å²	123	67%	0.669	65%	0.646	S	S	*	*			trans	-70.3	103.9	175.2	27.9	-32.5	0	0	0	109.1	T116 G120	T116-P118 WeakPolarHBondContact O-CD 3.43Å; P118-G120 PolarHBondContact O-N 2.92Å
119	Y	56.9	Low	55.3	Low	177 Å²	177	133.2 Å²	133.2	69%	0.694	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	79.8	174.8	-67.1	-91.2	0	0	0	110	I108 V117	I108-Y119 HydrophobicContact CD1-CD2 4.17Å; I108-Y119 HydrophobicContact CD1-CE2 4.22Å; V117-Y119 WeakPolarHBondContact O-CD2 3.5Å; V117-Y119 PolarHBondContact O-N 2.75Å
120	G	59.9	Low	54.3	Low	70 Å²	70	127.1 Å²	127.1	72%	0.722	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173.2	-19.1	-176	0	0	0	0	0	116.1	P118	P118-G120 PolarHBondContact O-N 2.92Å
121	L	46.4	Very low	53.5	Low	165 Å²	165	135.1 Å²	135.1	86%	0.864	71%	0.713	S	S	*	*			trans	-131.7	129.6	173.9	-69.1	175	0	0	0	111.3
122	S	52.1	Low	53.4	Low	99 Å²	99	143.6 Å²	143.6	69%	0.692	74%	0.74	S	S	*	*			trans	-77.5	161.3	169.4	57.8	0	0	0	0	110.9
123	N	49.8	Very low	52.9	Low	141 Å²	141	144 Å²	144	75%	0.754	75%	0.746	S	S	*	*			trans	69.3	71.7	167.9	-51.4	-49.7	0	0	0	118
124	Y	45.4	Very low	52.9	Low	234 Å²	234	143.5 Å²	143.5	92%	0.918	75%	0.751	S	S	*	*	S	Bend	trans	-124.8	82.7	133.9	-107.9	-87.2	0	0	0	111.4	G126	Y124-G126 PolarHBondContact O-N 3.26Å
125	R	54.1	Low	52.2	Low	229 Å²	229	138.2 Å²	138.2	86%	0.864	75%	0.746	S	S	*	*			trans	32	69.4	160.6	-155.6	-178.4	-161.9	-160.4	6.3	116.2	S127	R125-S127 PolarHBondContact O-N 2.77Å
126	G	48.1	Very low	51.6	Low	79 Å²	79	138 Å²	138	81%	0.814	75%	0.749	S	S	*	*			trans	-65.8	64.2	-178.5	0	0	0	0	0	116	Y124	Y124-G126 PolarHBondContact O-N 3.26Å
127	S	56.3	Low	50.9	Low	87 Å²	87	142.4 Å²	142.4	61%	0.608	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	6.1	-177.9	-167.2	0	0	0	0	114.2	R125	R125-S127 PolarHBondContact O-N 2.77Å
128	F	54.9	Low	50.7	Low	200 Å²	200	143.8 Å²	143.8	88%	0.877	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	13.3	-174.8	-71.1	-72.5	0	0	0	115.4	G130	F128-G130 PolarHBondContact O-N 2.73Å
129	R	59.1	Low	49.8	Very low	235 Å²	235	141.9 Å²	141.9	89%	0.887	78%	0.78	S	S	*	*	S	Bend	trans	-71.4	84	145.7	-75.4	-167.9	-175.6	-85.8	-0.7	107.1	K131	R129-K131 PolarHBondContact O-N 2.98Å; R129-K131 VanDerWaalsContact O-N 3.13Å
130	G	52.8	Low	49.3	Very low	62 Å²	62	140.4 Å²	140.4	64%	0.639	78%	0.784	S	S	*	*			trans	-47.8	119.8	-175.9	0	0	0	0	0	110.6	F128 R132	F128-G130 PolarHBondContact O-N 2.73Å; G130-R132 PolarHBondContact O-N 2.77Å
131	K	50.3	Low	48.3	Very low	198 Å²	198	145 Å²	145	86%	0.861	79%	0.791	S	S	*	*			trans	-58.4	108.3	179.9	-70.5	166.2	66.6	177.1	0	107.3	R129 S133	R129-K131 PolarHBondContact O-N 2.98Å; R129-K131 VanDerWaalsContact O-N 3.13Å; K131-S133 PolarHBondContact O-N 3.15Å
132	R	51.5	Low	48.3	Very low	249 Å²	249	146 Å²	146	94%	0.94	79%	0.791	S	S	*	*			trans	-67.8	75.1	163.7	-66.8	-171.1	-170	177.6	4.1	107.6	G130 A134	G130-R132 PolarHBondContact O-N 2.77Å; R132-A134 VanDerWaalsContact C-N 3.33Å; R132-A134 PolarHBondContact O-N 3.27Å
133	S	46.7	Very low	47.8	Very low	101 Å²	101	149 Å²	149	71%	0.706	80%	0.799	S	S	*	*			trans	-58.6	103	161.5	47.1	0	0	0	0	106.4	K131 G135	K131-S133 PolarHBondContact O-N 3.15Å; S133-G135 PolarHBondContact O-N 3.47Å
134	A	51.9	Low	47.8	Very low	92 Å²	92	147.8 Å²	147.8	76%	0.76	80%	0.801	S	S	*	*			trans	-51.4	115.8	157	0	0	0	0	0	105.8	R132 L136	R132-A134 VanDerWaalsContact C-N 3.33Å; R132-A134 PolarHBondContact O-N 3.27Å; A134-L136 PolarHBondContact O-N 3.39Å
135	G	42.3	Very low	47.9	Very low	72 Å²	72	142.9 Å²	142.9	74%	0.742	79%	0.787	S	S	*	*			trans	-57.7	110.7	-174.3	0	0	0	0	0	108.5	S133 L137	S133-G135 PolarHBondContact O-N 3.47Å; G135-L137 PolarHBondContact O-N 2.78Å
136	L	43.8	Very low	47.6	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	79%	0.786	S	S	*	*			trans	-79.1	72.3	-177.1	-155.2	167.8	0	0	0	107.7	A134 P138	A134-L136 PolarHBondContact O-N 3.39Å; L136-P138 WeakPolarHBondContact O-CD 3.29Å
137	L	42.1	Very low	47.7	Very low	146 Å²	146	143.5 Å²	143.5	76%	0.764	78%	0.777	S	S	*	*			trans	-66.3	118.6	179.8	-156.1	-62.2	0	0	0	107.1	G135 G139	G135-L137 PolarHBondContact O-N 2.78Å; L137-G139 PolarHBondContact O-N 3.32Å
138	P	44.2	Very low	47.7	Very low	119 Å²	119	141.6 Å²	141.6	77%	0.773	76%	0.758	S	S	*	*			trans	-76.2	66.8	-173.3	31	-36.4	0	0	0	112	L136	L136-P138 WeakPolarHBondContact O-CD 3.29Å
139	G	37.3	Very low	48.1	Very low	63 Å²	63	138.1 Å²	138.1	65%	0.649	76%	0.759	S	S	*	*			trans	-87.4	111.3	168.8	0	0	0	0	0	110.5	L137 L141	L137-G139 PolarHBondContact O-N 3.32Å; G139-L141 PolarHBondContact O-N 3.13Å
140	N	46.1	Very low	48.9	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	75%	0.752	S	S	*	*			trans	-70.3	113.4	-179.4	-179.5	-4.7	0	0	0	111.6
141	L	39.3	Very low	50.4	Low	165 Å²	165	135 Å²	135	86%	0.864	73%	0.732	S	S	*	*			trans	-162	122	135.9	-110.7	151	0	0	0	111.2	G139	G139-L141 PolarHBondContact O-N 3.13Å
142	Q	47	Very low	52.2	Low	186 Å²	186	130.2 Å²	130.2	87%	0.869	73%	0.73	S	S	*	*			trans	-82.9	112.6	-177.8	179.1	-176.1	64.3	0	0	110.7
143	L	41.3	Very low	54	Low	163 Å²	163	120.1 Å²	120.1	85%	0.853	70%	0.696	S	S	*	*			trans	-141.9	135.2	162	-164.4	61.7	0	0	0	110.8	H145	L143-H145 PolarHBondContact O-N 3.3Å
144	S	48.4	Very low	55.9	Low	115 Å²	115	122.8 Å²	122.8	80%	0.804	71%	0.708	S	S	*	*	S	Bend	trans	-81.6	23.9	-155.9	-163.3	0	0	0	0	116.4
145	H	48.8	Very low	57.3	Low	132 Å²	132	119.9 Å²	119.9	61%	0.611	69%	0.687	S	S	*	*			trans	-115.3	105.9	169.8	-85.9	-103.7	0	0	0	109.8	L143 P147	L143-H145 PolarHBondContact O-N 3.3Å; H145-P147 WeakPolarHBondContact O-CD 3.5Å
146	R	46.7	Very low	58.9	Low	225 Å²	225	127 Å²	127	85%	0.849	69%	0.692	S	S	*	*			trans	-69	108.2	163.8	174	178.2	-69.6	157.8	0.4	107.1	H148	R146-H148 PolarHBondContact O-N 2.91Å
147	P	51.7	Low	60.7	Low	96 Å²	96	129.1 Å²	129.1	62%	0.623	69%	0.69	S	S	*	*			trans	-61.7	142.3	171.9	28.8	-34.3	0	0	0	108.1	H145 S149	H145-P147 WeakPolarHBondContact O-CD 3.5Å; P147-S149 PolarHBondContact O-N 3.06Å
148	H	56.2	Low	63	Low	47 Å²	47	125.2 Å²	125.2	22%	0.218	67%	0.67	C	S	.	*			trans	-53.6	129.3	159.9	-110.4	158	0	0	0	107	R146 R150 C151 L169	R146-H148 PolarHBondContact O-N 2.91Å; H148-R150 PolarHBondContact CE1-NH2 3.42Å; H148-R150 PolarHBondContact NE2-NH2 2.93Å; H148-R150 PolarHBondContact O-N 3.4Å; H148-C151 HydrophobicContact CB-CB 4.38Å; H148-C151 PolarHBondContact O-N 3.13Å; H148-L169 HydrophobicContact CB-CD2 4.01Å
149	S	63.1	Low	65.1	Low	127 Å²	127	127.7 Å²	127.7	89%	0.888	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	22.7	175.3	52	0	0	0	0	113.9	P147	P147-S149 PolarHBondContact O-N 3.06Å
150	R	76.3	Confident	67.6	Low	198 Å²	198	128.2 Å²	128.2	75%	0.747	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.4	-5.3	-176	-59.8	-175.7	-72.1	-177.6	-1.7	112.2	H148	H148-R150 PolarHBondContact CE1-NH2 3.42Å; H148-R150 PolarHBondContact NE2-NH2 2.93Å; H148-R150 PolarHBondContact O-N 3.4Å
151	C	84.1	Confident	69.5	Low	34 Å²	34	122.6 Å²	122.6	23%	0.23	64%	0.638	C	S	.	*			trans	-120	127	180	-142.8	0	0	0	0	109.6	H148 C165	H148-C151 HydrophobicContact CB-CB 4.38Å; H148-C151 PolarHBondContact O-N 3.13Å; C151-C165 HydrophobicContact CB-CB 3.92Å; C151-C165 WeakPolarHBondContact CB-SG 3.21Å; C151-C165 WeakPolarHBondContact SG-CA 3.26Å; C151-C165 WeakPolarHBondContact SG-CB 3.36Å; C151-C165 CovalentContact SG-SG 2.04Å; C151-C165 PolarHBondContact SG-SG 3.43Å
152	A	87.4	Confident	71.8	Confident	97 Å²	97	118.4 Å²	118.4	80%	0.802	62%	0.616	S	S	*	*			trans	-145.7	132.8	179.2	0	0	0	0	0	109.6
153	C	88.6	Confident	73.7	Confident	36 Å²	36	115.1 Å²	115.1	24%	0.243	60%	0.601	C	S	.	*			trans	-102.4	139.9	179.4	-58.9	0	0	0	0	110.8	G155 C161	C153-G155 VanDerWaalsContact C-N 3.34Å; C153-G155 WeakPolarHBondContact CB-O 3.34Å; C153-G155 PolarHBondContact O-N 3.29Å; C153-C161 WeakPolarHBondContact CA-SG 3.04Å; C153-C161 HydrophobicContact CB-CB 3.76Å; C153-C161 WeakPolarHBondContact CB-SG 3.07Å; C153-C161 WeakPolarHBondContact SG-CB 3.45Å; C153-C161 CovalentContact SG-SG 2.04Å; C153-C161 PolarHBondContact SG-SG 3.37Å
154	V	87.3	Confident	75.8	Confident	158 Å²	158	113.9 Å²	113.9	96%	0.958	59%	0.589	S	S	*	*	S	Bend	trans	-61	-44.9	178.3	-178.7	0	0	0	0	110.6
155	G	81.7	Confident	77.5	Confident	30 Å²	30	109.3 Å²	109.3	31%	0.309	56%	0.557	S	S	.	*	S	Bend	trans	-102.2	137.8	172.2	0	0	0	0	0	112.3	C153 Y157 D158	C153-G155 VanDerWaalsContact C-N 3.34Å; C153-G155 WeakPolarHBondContact CB-O 3.34Å; C153-G155 PolarHBondContact O-N 3.29Å; G155-Y157 PolarHBondContact O-N 3.33Å; G155-Y157 VanDerWaalsContact O-N 3.12Å; G155-D158 PolarHBondContact O-N 3.39Å
156	R	75.6	Confident	79.1	Confident	223 Å²	223	105.4 Å²	105.4	84%	0.842	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.5	170.8	-65.7	-67.8	-176.2	158.3	0.8	114
157	Y	82.3	Confident	80.4	Confident	206 Å²	206	99.3 Å²	99.3	81%	0.808	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	15.8	-178.3	-57.8	-77.8	0	0	0	113	G155 K159	G155-Y157 PolarHBondContact O-N 3.33Å; G155-Y157 VanDerWaalsContact O-N 3.12Å; Y157-K159 PolarHBondContact O-N 2.78Å
158	D	90.4	Very high	81	Confident	64 Å²	64	97.1 Å²	97.1	34%	0.342	51%	0.508	S	S	.	.			trans	-69.9	95	171	-179.6	-10.3	0	0	0	109.4	G155 A160 C161 L162	G155-D158 PolarHBondContact O-N 3.39Å; D158-A160 PolarHBondContact O-N 2.88Å; D158-A160 PolarHBondContact OD1-N 2.97Å; D158-C161 HydrophobicContact CB-CB 4.01Å; D158-C161 PolarHBondContact O-N 2.98Å; D158-C161 PolarHBondContact OD1-N 2.03Å; D158-C161 WeakPolarHBondContact OD2-CB 3.39Å; D158-L162 VanDerWaalsContact O-CB 3.32Å; D158-L162 WeakPolarHBondContact O-CB 3.35Å; D158-L162 WeakPolarHBondContact O-CG 3.08Å; D158-L162 PolarHBondContact O-N 2.95Å
159	K	88.1	Confident	81.5	Confident	170 Å²	170	96.4 Å²	96.4	74%	0.739	51%	0.506	S	S	*	.	H	α-helix	trans	-62.5	-29.8	-177.8	-68.4	-178.9	-67.2	-66.1	0	112.7	Y157 H163	Y157-K159 PolarHBondContact O-N 2.78Å; K159-H163 VanDerWaalsContact O-CB 3.28Å; K159-H163 WeakPolarHBondContact O-CB 3.07Å; K159-H163 PolarHBondContact O-N 3.25Å; K159-H163 VanDerWaalsContact O-N 3.08Å
160	A	88.5	Confident	81.5	Confident	75 Å²	75	94.3 Å²	94.3	62%	0.62	49%	0.485	S	S	*	.	H	α-helix	trans	-74.9	-48.3	179.4	0	0	0	0	0	110.6	D158 H163 F164	D158-A160 PolarHBondContact O-N 2.88Å; D158-A160 PolarHBondContact OD1-N 2.97Å; A160-H163 PolarHBondContact O-N 3.3Å; A160-F164 PolarHBondContact O-N 3Å
161	C	87.5	Confident	80.8	Confident	27 Å²	27	89.4 Å²	89.4	18%	0.182	48%	0.476	C	S	.	.	H	α-helix	trans	-63	-41.9	174.6	177.5	0	0	0	0	112.2	C153 D158 F164 C165	C153-C161 WeakPolarHBondContact CA-SG 3.04Å; C153-C161 HydrophobicContact CB-CB 3.76Å; C153-C161 WeakPolarHBondContact CB-SG 3.07Å; C153-C161 WeakPolarHBondContact SG-CB 3.45Å; C153-C161 CovalentContact SG-SG 2.04Å; C153-C161 PolarHBondContact SG-SG 3.37Å; D158-C161 HydrophobicContact CB-CB 4.01Å; D158-C161 PolarHBondContact O-N 2.98Å; D158-C161 PolarHBondContact OD1-N 2.03Å; D158-C161 WeakPolarHBondContact OD2-CB 3.39Å; C161-F164 PolarHBondContact O-N 3.21Å; C161-C165 WeakPolarHBondContact O-CB 3.43Å; C161-C165 PolarHBondContact O-N 3.33Å; C161-C165 PolarHBondContact O-SG 3.02Å
162	L	87.3	Confident	79.7	Confident	78 Å²	78	89.4 Å²	89.4	41%	0.408	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-46.8	176.7	-73.4	171	0	0	0	111.6	D158 F164 C165 T166	D158-L162 VanDerWaalsContact O-CB 3.32Å; D158-L162 WeakPolarHBondContact O-CB 3.35Å; D158-L162 WeakPolarHBondContact O-CG 3.08Å; D158-L162 PolarHBondContact O-N 2.95Å; L162-F164 VanDerWaalsContact C-N 3.33Å; L162-F164 PolarHBondContact O-N 3.45Å; L162-C165 CarbonylContact O-C 3.59Å; L162-C165 PolarHBondContact O-N 3.13Å; L162-T166 PolarHBondContact O-N 3.34Å; L162-T166 PolarHBondContact O-OG1 3.17Å
163	H	86.4	Confident	78.4	Confident	117 Å²	117	87.8 Å²	87.8	54%	0.542	46%	0.46	S	S	.	.	H	α-helix	trans	-60.6	-40.7	177	-171	-68.8	0	0	0	112.2	K159 A160 T166 Q167	K159-H163 VanDerWaalsContact O-CB 3.28Å; K159-H163 WeakPolarHBondContact O-CB 3.07Å; K159-H163 PolarHBondContact O-N 3.25Å; K159-H163 VanDerWaalsContact O-N 3.08Å; A160-H163 PolarHBondContact O-N 3.3Å; H163-T166 PolarHBondContact O-N 3.01Å; H163-T166 PolarHBondContact O-OG1 3.08Å; H163-Q167 PolarHBondContact CE1-OE1 3.23Å; H163-Q167 VanDerWaalsContact CE1-OE1 3.25Å; H163-Q167 VanDerWaalsContact O-CB 3.3Å; H163-Q167 WeakPolarHBondContact O-CB 3.23Å; H163-Q167 PolarHBondContact O-N 2.89Å
164	F	85.3	Confident	77	Confident	137 Å²	137	91.3 Å²	91.3	60%	0.601	48%	0.476	S	S	*	.	H	α-helix	trans	-66	-43.7	174.8	-179.3	-95.5	0	0	0	112.3	A160 C161 L162 T166 T168	A160-F164 PolarHBondContact O-N 3Å; C161-F164 PolarHBondContact O-N 3.21Å; L162-F164 VanDerWaalsContact C-N 3.33Å; L162-F164 PolarHBondContact O-N 3.45Å; F164-T166 VanDerWaalsContact C-N 3.27Å; F164-T166 PolarHBondContact O-N 2.72Å; F164-T168 HydrophobicContact CE1-CG2 4.34Å; F164-T168 HydrophobicContact CE2-CG2 4.4Å; F164-T168 HydrophobicContact CZ-CG2 4.18Å; F164-T168 WeakPolarHBondContact O-CG2 3.03Å; F164-T168 PolarHBondContact O-N 2.96Å; F164-T168 PolarHBondContact O-OG1 3.2Å
165	C	84.9	Confident	75.5	Confident	19 Å²	19	87.6 Å²	87.6	13%	0.128	46%	0.457	C	S	.	.	H	α-helix	trans	-67.6	-20.6	176.3	-73.2	0	0	0	0	113.7	C151 C161 L162 T168 L169	C151-C165 HydrophobicContact CB-CB 3.92Å; C151-C165 WeakPolarHBondContact CB-SG 3.21Å; C151-C165 WeakPolarHBondContact SG-CA 3.26Å; C151-C165 WeakPolarHBondContact SG-CB 3.36Å; C151-C165 CovalentContact SG-SG 2.04Å; C151-C165 PolarHBondContact SG-SG 3.43Å; C161-C165 WeakPolarHBondContact O-CB 3.43Å; C161-C165 PolarHBondContact O-N 3.33Å; C161-C165 PolarHBondContact O-SG 3.02Å; L162-C165 CarbonylContact O-C 3.59Å; L162-C165 PolarHBondContact O-N 3.13Å; C165-T168 PolarHBondContact O-OG1 2.9Å; C165-L169 WeakPolarHBondContact O-CG 3.47Å
166	T	81.1	Confident	74.1	Confident	50 Å²	50	95.3 Å²	95.3	31%	0.307	48%	0.477	S	S	.	.	H	α-helix	trans	-87.5	-47.1	170.8	52.2	0	0	0	0	112.4	L162 H163 F164 T168 L169 D170	L162-T166 PolarHBondContact O-N 3.34Å; L162-T166 PolarHBondContact O-OG1 3.17Å; H163-T166 PolarHBondContact O-N 3.01Å; H163-T166 PolarHBondContact O-OG1 3.08Å; F164-T166 VanDerWaalsContact C-N 3.27Å; F164-T166 PolarHBondContact O-N 2.72Å; T166-T168 PolarHBondContact O-N 3.25Å; T166-T168 VanDerWaalsContact O-N 3.08Å; T166-L169 WeakPolarHBondContact O-CA 3.36Å; T166-L169 VanDerWaalsContact O-CB 3.27Å; T166-L169 WeakPolarHBondContact O-CB 3.46Å; T166-L169 PolarHBondContact O-N 3.33Å; T166-D170 PolarHBondContact O-N 3.12Å
167	Q	74.4	Confident	73.1	Confident	97 Å²	97	89.6 Å²	89.6	45%	0.453	47%	0.467	S	S	.	.	H	α-helix	trans	-54.3	-35.2	-179.2	-166.5	78.2	58.4	0	0	112.6	H163 L169 D170 V171	H163-Q167 PolarHBondContact CE1-OE1 3.23Å; H163-Q167 VanDerWaalsContact CE1-OE1 3.25Å; H163-Q167 VanDerWaalsContact O-CB 3.3Å; H163-Q167 WeakPolarHBondContact O-CB 3.23Å; H163-Q167 PolarHBondContact O-N 2.89Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 2.9Å; Q167-D170 PolarHBondContact O-N 3.39Å; Q167-V171 WeakPolarHBondContact O-CG2 3.46Å; Q167-V171 PolarHBondContact O-N 3.08Å
168	T	64.9	Low	71.6	Confident	50 Å²	50	83.7 Å²	83.7	31%	0.307	46%	0.46	S	S	.	.	H	α-helix	trans	-74.2	-15.3	177.5	49.1	0	0	0	0	114.3	F164 C165 T166 S172	F164-T168 HydrophobicContact CE1-CG2 4.34Å; F164-T168 HydrophobicContact CE2-CG2 4.4Å; F164-T168 HydrophobicContact CZ-CG2 4.18Å; F164-T168 WeakPolarHBondContact O-CG2 3.03Å; F164-T168 PolarHBondContact O-N 2.96Å; F164-T168 PolarHBondContact O-OG1 3.2Å; C165-T168 PolarHBondContact O-OG1 2.9Å; T166-T168 PolarHBondContact O-N 3.25Å; T166-T168 VanDerWaalsContact O-N 3.08Å; T168-S172 VanDerWaalsContact O-CB 3.26Å; T168-S172 WeakPolarHBondContact O-CB 3.03Å
169	L	66.1	Low	69.9	Low	31 Å²	31	89.2 Å²	89.2	16%	0.162	48%	0.484	C	S	.	.	H	α-helix	trans	-78.2	-42.8	169.9	-57.3	173.5	0	0	0	110.9	H148 C165 T166 Q167 S172 S173	H148-L169 HydrophobicContact CB-CD2 4.01Å; C165-L169 WeakPolarHBondContact O-CG 3.47Å; T166-L169 WeakPolarHBondContact O-CA 3.36Å; T166-L169 VanDerWaalsContact O-CB 3.27Å; T166-L169 WeakPolarHBondContact O-CB 3.46Å; T166-L169 PolarHBondContact O-N 3.33Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 2.9Å; L169-S172 CarbonylContact O-C 3.53Å; L169-S172 PolarHBondContact O-N 2.8Å; L169-S173 WeakPolarHBondContact O-CB 3.45Å; L169-S173 PolarHBondContact O-N 3.42Å; L169-S173 PolarHBondContact O-OG 2.99Å
170	D	62.4	Low	68	Low	84 Å²	84	90 Å²	90	45%	0.449	49%	0.488	S	S	.	.	H	α-helix	trans	-66.7	-47	-176.3	-57.2	-48.4	0	0	0	111.1	T166 Q167 S172 S173 N174	T166-D170 PolarHBondContact O-N 3.12Å; Q167-D170 PolarHBondContact O-N 3.39Å; D170-S172 VanDerWaalsContact C-N 3.32Å; D170-S172 PolarHBondContact O-N 3Å; D170-S173 PolarHBondContact O-N 3.41Å; D170-N174 PolarHBondContact O-N 2.04Å
171	V	63.4	Low	65.8	Low	94 Å²	94	92.6 Å²	92.6	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-59.2	-43.3	174.4	177	0	0	0	0	111.2	Q167 S173 S175	Q167-V171 WeakPolarHBondContact O-CG2 3.46Å; Q167-V171 PolarHBondContact O-N 3.08Å; V171-S173 PolarHBondContact O-N 3.46Å; V171-S175 WeakPolarHBondContact O-CB 3.37Å; V171-S175 PolarHBondContact O-N 3.22Å; V171-S175 VanDerWaalsContact O-N 3.13Å
172	S	59.3	Low	63.8	Low	34 Å²	34	99.1 Å²	99.1	24%	0.238	53%	0.529	C	S	.	.	H	α-helix	trans	-74.1	-7	178	-175.5	0	0	0	0	114.4	T168 L169 D170 R176	T168-S172 VanDerWaalsContact O-CB 3.26Å; T168-S172 WeakPolarHBondContact O-CB 3.03Å; L169-S172 CarbonylContact O-C 3.53Å; L169-S172 PolarHBondContact O-N 2.8Å; D170-S172 VanDerWaalsContact C-N 3.32Å; D170-S172 PolarHBondContact O-N 3Å; S172-R176 PolarHBondContact O-NE 3.23Å
173	S	61.5	Low	61.7	Low	64 Å²	64	104.8 Å²	104.8	45%	0.448	55%	0.55	S	S	.	*	H	α-helix	trans	-98.2	-45	175.1	-59.9	0	0	0	0	110.4	L169 D170 V171 S175 R176 T177	L169-S173 WeakPolarHBondContact O-CB 3.45Å; L169-S173 PolarHBondContact O-N 3.42Å; L169-S173 PolarHBondContact O-OG 2.99Å; D170-S173 PolarHBondContact O-N 3.41Å; V171-S173 PolarHBondContact O-N 3.46Å; S173-S175 VanDerWaalsContact C-N 3.26Å; S173-S175 PolarHBondContact O-N 3.45Å; S173-R176 WeakPolarHBondContact O-CB 3.42Å; S173-R176 PolarHBondContact O-N 3.09Å; S173-T177 PolarHBondContact O-N 2.68Å
174	N	58.4	Low	60.1	Low	110 Å²	110	108.6 Å²	108.6	59%	0.588	57%	0.568	S	S	*	*	H	α-helix	trans	-61.4	-34.6	174.9	-68.5	-9.7	0	0	0	112.1	D170 R176 T177 A178	D170-N174 PolarHBondContact O-N 2.04Å; N174-R176 PolarHBondContact O-N 3.32Å; N174-R176 VanDerWaalsContact O-N 3.08Å; N174-T177 PolarHBondContact O-N 3.2Å; N174-T177 PolarHBondContact O-OG1 3.24Å; N174-A178 PolarHBondContact O-N 2.8Å
175	S	56.2	Low	58.1	Low	79 Å²	79	111.5 Å²	111.5	55%	0.552	58%	0.584	S	S	*	*	H	α-helix	trans	-66.5	-4.6	173.3	80.9	0	0	0	0	114.5	V171 S173	V171-S175 WeakPolarHBondContact O-CB 3.37Å; V171-S175 PolarHBondContact O-N 3.22Å; V171-S175 VanDerWaalsContact O-N 3.13Å; S173-S175 VanDerWaalsContact C-N 3.26Å; S173-S175 PolarHBondContact O-N 3.45Å
176	R	52.6	Low	55.9	Low	193 Å²	193	119.6 Å²	119.6	73%	0.728	62%	0.62	S	S	*	*	H	α-helix	trans	-108.3	-17.2	176.6	-60.3	178.3	176.9	-142.2	-5	113.3	S172 S173 N174	S172-R176 PolarHBondContact O-NE 3.23Å; S173-R176 WeakPolarHBondContact O-CB 3.42Å; S173-R176 PolarHBondContact O-N 3.09Å; N174-R176 PolarHBondContact O-N 3.32Å; N174-R176 VanDerWaalsContact O-N 3.08Å
177	T	53.3	Low	53.8	Low	103 Å²	103	120.6 Å²	120.6	63%	0.632	64%	0.639	S	S	*	*	H	α-helix	trans	-95.6	-18.3	174.8	42.6	0	0	0	0	112.6	S173 N174 E179	S173-T177 PolarHBondContact O-N 2.68Å; N174-T177 PolarHBondContact O-N 3.2Å; N174-T177 PolarHBondContact O-OG1 3.24Å; T177-E179 VanDerWaalsContact C-N 3.26Å; T177-E179 PolarHBondContact O-N 2.86Å
178	A	51.3	Low	51.7	Low	81 Å²	81	124.1 Å²	124.1	67%	0.669	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-18.7	177	0	0	0	0	0	114.8	N174 K180	N174-A178 PolarHBondContact O-N 2.8Å; A178-K180 VanDerWaalsContact C-N 3.26Å; A178-K180 PolarHBondContact O-N 3.47Å
179	E	54.6	Low	50.7	Low	180 Å²	180	128.4 Å²	128.4	84%	0.841	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	20.9	-175.2	-152.3	-170.8	119.7	0	0	113.9	T177	T177-E179 VanDerWaalsContact C-N 3.26Å; T177-E179 PolarHBondContact O-N 2.86Å
180	K	48.5	Very low	49.2	Very low	188 Å²	188	133.9 Å²	133.9	82%	0.817	70%	0.704	S	S	*	*			trans	-153.2	60.3	-179.6	-154.7	175.3	-179.5	172	0	116.7	A178	A178-K180 VanDerWaalsContact C-N 3.26Å; A178-K180 PolarHBondContact O-N 3.47Å
181	T	43.1	Very low	48.2	Very low	128 Å²	128	136 Å²	136	79%	0.785	72%	0.72	S	S	*	*			trans	-145.1	53.2	160.6	-8.3	0	0	0	0	114.5	K183	T181-K183 PolarHBondContact O-N 2.9Å
182	D	44.8	Very low	46.9	Very low	164 Å²	164	140.8 Å²	140.8	88%	0.877	73%	0.733	S	S	*	*			trans	-80.6	98.5	158.7	-66.3	-61.7	0	0	0	109.6
183	K	43.9	Very low	46	Very low	198 Å²	198	145.2 Å²	145.2	86%	0.861	75%	0.754	S	S	*	*			trans	-141.6	127.5	156.6	-82.6	-151.3	168.2	-161.2	0	109.2	T181	T181-K183 PolarHBondContact O-N 2.9Å
184	E	51.9	Low	45.2	Very low	197 Å²	197	153.3 Å²	153.3	92%	0.921	77%	0.774	S	S	*	*			trans	-66.8	140.1	175.9	-60.1	152.3	127.1	0	0	110.4
185	E	44.4	Very low	44.5	Very low	197 Å²	197	156.3 Å²	156.3	92%	0.921	79%	0.785	S	S	*	*			trans	-131.9	104.6	147.4	-172.2	168.7	-132.5	0	0	107.9	G187	E185-G187 PolarHBondContact O-N 3.19Å
186	E	37.5	Very low	43.7	Very low	190 Å²	190	157.9 Å²	157.9	89%	0.888	80%	0.796	S	S	*	*			trans	-83.4	112	177.4	-171.1	-173.3	132.7	0	0	110.1
187	G	37.3	Very low	43.4	Very low	70 Å²	70	157.7 Å²	157.7	72%	0.722	80%	0.8	S	S	*	*			trans	57.4	113.9	138.9	0	0	0	0	0	119.7	E185	E185-G187 PolarHBondContact O-N 3.19Å
188	K	30.4	Very low	42.8	Very low	172 Å²	172	161 Å²	161	75%	0.748	81%	0.809	S	S	*	*				-145.6	119.2	128.3	-155.6	177.1	178.2	-166.4	0	113	E190	K188-E190 WeakPolarHBondContact CE-OE2 3.49Å; K188-E190 IonicContact NZ-OE2 2.62Å; K188-E190 PolarHBondContact NZ-OE2 3.26Å
189	V	43.1	Very low	42.2	Very low	139 Å²	139	161.1 Å²	161.1	84%	0.842	81%	0.81	S	S	*	*			trans	-88.9	119.6	161	176.5	0	0	0	0	107.6	V191	V189-V191 HydrophobicContact CG1-CG2 4.48Å
190	E	35.8	Very low	41.7	Very low	146 Å²	146	160.6 Å²	160.6	68%	0.682	81%	0.812	S	S	*	*			trans	-139.8	129.7	166.6	-165.7	169.8	128.6	0	0	109.8	K188	K188-E190 WeakPolarHBondContact CE-OE2 3.49Å; K188-E190 IonicContact NZ-OE2 2.62Å; K188-E190 PolarHBondContact NZ-OE2 3.26Å
191	V	42.1	Very low	41.1	Very low	129 Å²	129	157.7 Å²	157.7	78%	0.782	81%	0.805	S	S	*	*			trans	-120.5	115.4	-175.3	174.6	0	0	0	0	109	V189	V189-V191 HydrophobicContact CG1-CG2 4.48Å
192	K	35	Very low	41.2	Very low	194 Å²	194	159 Å²	159	84%	0.843	81%	0.807	S	S	*	*			trans	-155.2	104.8	161.4	-151.3	163	-171.9	170.8	0	115.8
193	D	41.2	Very low	41.1	Very low	127 Å²	127	158.7 Å²	158.7	68%	0.679	80%	0.799	S	S	*	*			trans	11.6	118.8	137.2	-141.7	-79	0	0	0	118.9
194	R	43.3	Very low	41	Very low	234 Å²	234	158.2 Å²	158.2	88%	0.883	80%	0.8	S	S	*	*				-170.7	161	102.1	-103.4	-173.7	169.1	173.4	-4.4	115.9
195	Q	44	Very low	41	Very low	173 Å²	173	153.2 Å²	153.2	81%	0.808	78%	0.784	S	S	*	*			trans	-79.1	153	-173	-54.9	160.4	-50.9	0	0	114.4
196	S	40.7	Very low	40.7	Very low	113 Å²	113	153.3 Å²	153.3	79%	0.79	78%	0.782	S	S	*	*			trans	-162.7	131	130.1	-85.9	0	0	0	0	114.1
197	K	46.4	Very low	40.6	Very low	188 Å²	188	151.4 Å²	151.4	82%	0.817	78%	0.777	S	S	*	*			trans	12.9	142.7	138.4	-60.2	174.4	-174.5	178.8	0	117.8
198	Q	40.8	Very low	40.8	Very low	174 Å²	174	154 Å²	154	81%	0.813	78%	0.778	S	S	*	*			cis	-153.2	139	25.5	-115.3	147	-31.7	0	0	108.2
199	A	37.8	Very low	41.6	Very low	83 Å²	83	151.5 Å²	151.5	69%	0.686	78%	0.78	S	S	*	*				82.8	146.8	81.8	0	0	0	0	0	115.8
200	L	44	Very low	41.1	Very low	168 Å²	168	148.2 Å²	148.2	88%	0.88	77%	0.774	S	S	*	*			trans	72.5	140.7	-167.9	-75	71.7	0	0	0	115.3
201	D	35.8	Very low	41.3	Very low	127 Å²	127	147.5 Å²	147.5	68%	0.679	79%	0.785	S	S	*	*			cis	156.5	109.3	-25.3	172.7	15.7	0	0	0	105.8
202	L	44.8	Very low	41.3	Very low	157 Å²	157	145 Å²	145	82%	0.822	79%	0.785	S	S	*	*				-166.5	142.7	128.6	-125.9	72.1	0	0	0	111.3
203	H	42.4	Very low	41.8	Very low	156 Å²	156	143.6 Å²	143.6	72%	0.722	79%	0.787	S	S	*	*			trans	-59.8	148.3	170.1	-96.9	-148.7	0	0	0	112.9
204	H	43.3	Very low	42.1	Very low	189 Å²	189	142.6 Å²	142.6	88%	0.875	80%	0.796	S	S	*	*			trans	-161.4	100.2	133	-102.2	91	0	0	0	110.9
205	P	51.1	Low	42.2	Very low	91 Å²	91	139.1 Å²	139.1	59%	0.591	79%	0.794	S	S	*	*			trans	-90.9	156.7	168.6	35.5	-33	0	0	0	111.7
206	K	37.7	Very low	42.4	Very low	199 Å²	199	135 Å²	135	87%	0.865	79%	0.789	S	S	*	*				-175.5	148.3	124.9	-93	-59.6	173.9	174.3	0	111.2
207	L	36.3	Very low	42.7	Very low	150 Å²	150	135.6 Å²	135.6	79%	0.785	79%	0.791	S	S	*	*			trans	-83.7	140	173.1	-77.1	101.6	0	0	0	109.4
208	V	41.1	Very low	43	Very low	124 Å²	124	132 Å²	132	75%	0.752	79%	0.789	S	S	*	*				63.8	133.3	70.5	174.4	0	0	0	0	111.9
209	P	46.2	Very low	43.5	Very low	120 Å²	120	129.9 Å²	129.9	78%	0.779	79%	0.788	S	S	*	*			cis	-134.6	179.8	-17.3	38.8	-21.5	0	0	0	115.3
210	G	33.7	Very low	43.8	Very low	70 Å²	70	132 Å²	132	72%	0.722	80%	0.797	S	S	*	*				95.9	117	130	0	0	0	0	0	120.3
211	S	39.9	Very low	44.2	Very low	131 Å²	131	129.4 Å²	129.4	92%	0.916	79%	0.79	S	S	*	*			trans	-165.2	116.9	147	-81.3	0	0	0	0	108.1
212	G	42.7	Very low	44.6	Very low	76 Å²	76	132.8 Å²	132.8	78%	0.784	79%	0.793	S	S	*	*			trans	-98.3	131.3	-173.4	0	0	0	0	0	113.1
213	L	45.2	Very low	44.5	Very low	166 Å²	166	131.7 Å²	131.7	87%	0.869	80%	0.797	S	S	*	*			trans	-134.5	118.9	157.6	-76.9	177.4	0	0	0	108.5
214	A	47.8	Very low	44.6	Very low	105 Å²	105	129.7 Å²	129.7	87%	0.868	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-83.6	117.5	173.1	0	0	0	0	0	109.3
215	L	44	Very low	44.5	Very low	162 Å²	162	128.1 Å²	128.1	85%	0.848	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-103.4	125.3	162.7	-100.1	68.7	0	0	0	108.9
216	A	48.9	Very low	44	Very low	86 Å²	86	132.4 Å²	132.4	71%	0.711	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.5	157.5	174.3	0	0	0	0	0	111.1	S218	A216-S218 PolarHBondContact O-N 3.29Å; A216-S218 VanDerWaalsContact O-N 3.11Å
217	P	46.9	Very low	44.3	Very low	126 Å²	126	130.4 Å²	130.4	82%	0.818	79%	0.788	S	S	*	*			trans	-62.7	114.4	174.9	25.9	-34.5	0	0	0	110.6	T219	P217-T219 PolarHBondContact O-N 2.8Å
218	S	52.2	Low	44.4	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	79%	0.786	S	S	*	*			trans	-72.9	97.2	173.4	49.3	0	0	0	0	110.4	A216	A216-S218 PolarHBondContact O-N 3.29Å; A216-S218 VanDerWaalsContact O-N 3.11Å
219	T	52.2	Low	44.2	Very low	129 Å²	129	125.1 Å²	125.1	79%	0.791	79%	0.786	S	S	*	*			trans	-10.7	124	155.5	24.7	0	0	0	0	115.6	P217 P221	P217-T219 PolarHBondContact O-N 2.8Å; T219-P221 VanDerWaalsContact O-CD 3.25Å; T219-P221 WeakPolarHBondContact O-CD 3.43Å
220	C	44.3	Very low	44.6	Very low	128 Å²	128	128.9 Å²	128.9	87%	0.865	81%	0.81	S	S	*	*			trans	-59.6	117.8	169.9	-59.5	0	0	0	0	110.8
221	P	52.3	Low	45.2	Very low	113 Å²	113	131.9 Å²	131.9	73%	0.734	82%	0.815	S	S	*	*			trans	-81.6	149.8	171.1	33.9	-32.5	0	0	0	110.5	T219	T219-P221 VanDerWaalsContact O-CD 3.25Å; T219-P221 WeakPolarHBondContact O-CD 3.43Å
222	R	43.4	Very low	45.4	Very low	198 Å²	198	131.9 Å²	131.9	75%	0.747	81%	0.809	S	S	*	*			trans	70.2	61.7	172.3	-40.8	-162.3	82.4	97.1	5.4	116.9	L224	R222-L224 VanDerWaalsContact C-N 3.3Å; R222-L224 PolarHBondContact O-N 3.45Å
223	C	43.6	Very low	45.6	Very low	134 Å²	134	135 Å²	135	91%	0.905	81%	0.811	S	S	*	*				-63.9	102.8	126.1	-66.7	0	0	0	0	106.8	F225	C223-F225 PolarHBondContact O-N 2.62Å
224	L	44.7	Very low	45.6	Very low	113 Å²	113	133.2 Å²	133.2	59%	0.592	81%	0.807	S	S	*	*			trans	-87.1	104.4	175.2	-122.8	174.6	0	0	0	108.3	R222 E226	R222-L224 VanDerWaalsContact C-N 3.3Å; R222-L224 PolarHBondContact O-N 3.45Å; L224-E226 PolarHBondContact O-N 3.22Å
225	F	40.5	Very low	45.5	Very low	157 Å²	157	134.9 Å²	134.9	69%	0.689	80%	0.804	S	S	*	*			trans	-82.2	104.4	175	-178.1	-97.9	0	0	0	107.9	C223 E227	C223-F225 PolarHBondContact O-N 2.62Å; F225-E227 HydrophobicContact CD1-CB 4.18Å; F225-E227 HydrophobicContact CD1-CG 4.29Å; F225-E227 HydrophobicContact CE1-CB 3.71Å; F225-E227 VanDerWaalsContact CE1-CD 3.43Å; F225-E227 HydrophobicContact CE1-CG 3.48Å; F225-E227 VanDerWaalsContact CE1-CG 3.48Å; F225-E227 WeakPolarHBondContact CE1-OE2 3.11Å; F225-E227 HydrophobicContact CZ-CB 4.42Å; F225-E227 VanDerWaalsContact CZ-CD 3.47Å; F225-E227 HydrophobicContact CZ-CG 3.7Å
226	E	41.4	Very low	45.6	Very low	180 Å²	180	133.1 Å²	133.1	84%	0.841	80%	0.801	S	S	*	*			trans	-88.6	98.9	173	-83.6	-83.5	104.4	0	0	109.1	L224	L224-E226 PolarHBondContact O-N 3.22Å
227	E	42.3	Very low	45.3	Very low	157 Å²	157	136.5 Å²	136.5	73%	0.734	81%	0.807	S	S	*	*			trans	-114.9	135.8	163.6	-102	-167.3	169.2	0	0	110.1	F225	F225-E227 HydrophobicContact CD1-CB 4.18Å; F225-E227 HydrophobicContact CD1-CG 4.29Å; F225-E227 HydrophobicContact CE1-CB 3.71Å; F225-E227 VanDerWaalsContact CE1-CD 3.43Å; F225-E227 HydrophobicContact CE1-CG 3.48Å; F225-E227 VanDerWaalsContact CE1-CG 3.48Å; F225-E227 WeakPolarHBondContact CE1-OE2 3.11Å; F225-E227 HydrophobicContact CZ-CB 4.42Å; F225-E227 VanDerWaalsContact CZ-CD 3.47Å; F225-E227 HydrophobicContact CZ-CG 3.7Å
228	G	39.2	Very low	45.2	Very low	72 Å²	72	137.3 Å²	137.3	74%	0.742	81%	0.806	S	S	*	*			trans	96.9	72.8	139.9	0	0	0	0	0	119.7
229	A	38	Very low	44.6	Very low	91 Å²	91	139.3 Å²	139.3	75%	0.752	81%	0.808	S	S	*	*			trans	65.1	-169.9	141.6	0	0	0	0	0	115.6
230	P	53.8	Low	43.9	Very low	200 Å²	200	140.3 Å²	140.3	100%	1.299	81%	0.809	S	S	*	*			cis	-69.8	0	4.6	31.8	-37.2	0	0	0	114.9

Retrieved 230 of 230 residues in 39.9 ms (Link to these results)

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