A0A096NNF5_PAPAN Loading...

Endothelin-3

Endothelins are endothelium-derived vasoconstrictor peptides.

AlphaFold DB (A0A2K5NPB7), UniProt , Accession A0A096NNF5, Species PAPAN (Papio anubis, Olive baboon), Gene EDN3, Length 230 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 363.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).