A0A077Z4R6_TRITR Loading...

Zinc finger protein ZIC 4

AlphaFold DB , UniProt , Accession A0A077Z4R6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 352 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	38.4	Very low	42.2	Very low	245 Å²	245	151.8 Å²	151.8	100%	1.207	87%	0.867	S	S	*	*				0	111.9	0	-68.7	-168.9	174.3	0	0	106.5
2	L	40.4	Very low	42.3	Very low	172 Å²	172	154.3 Å²	154.3	90%	0.901	87%	0.866	S	S	*	*			trans	-111.3	145.5	-146.2	-67.3	160.2	0	0	0	111.4
3	N	39.2	Very low	42.5	Very low	157 Å²	157	152.3 Å²	152.3	84%	0.84	86%	0.86	S	S	*	*			trans	-63.7	153.1	168	-75.1	-33.5	0	0	0	111.6
4	P	52.3	Low	41.9	Very low	124 Å²	124	156.2 Å²	156.2	81%	0.805	86%	0.863	S	S	*	*			trans	-120.8	101.9	157	32.2	-15.8	0	0	0	110.9
5	F	42.2	Very low	42.4	Very low	199 Å²	199	153.5 Å²	153.5	87%	0.873	86%	0.856	S	S	*	*			trans	-97.5	112.2	148.4	-97.6	-88.1	0	0	0	105.5
6	D	43	Very low	41.9	Very low	158 Å²	158	152.9 Å²	152.9	85%	0.845	86%	0.857	S	S	*	*			trans	170.2	118.5	150.1	-96.8	-31.5	0	0	0	108.7
7	S	48.3	Very low	41.7	Very low	128 Å²	128	153.7 Å²	153.7	90%	0.895	86%	0.858	S	S	*	*			trans	172	86.6	150.8	-75	0	0	0	0	110.3
8	L	37.7	Very low	41.5	Very low	168 Å²	168	152.6 Å²	152.6	88%	0.88	86%	0.856	S	S	*	*			trans	-87.6	168.4	139	-92.3	145.9	0	0	0	106.7
9	P	42	Very low	41	Very low	108 Å²	108	151.7 Å²	151.7	70%	0.701	86%	0.855	S	S	*	*			cis	-138.7	179.6	12.2	36.7	-15.8	0	0	0	114.1
10	S	43.5	Very low	40.7	Very low	116 Å²	116	149.2 Å²	149.2	81%	0.811	85%	0.854	S	S	*	*				172.9	133.2	129.7	-78.8	0	0	0	0	112.2
11	A	38	Very low	40.3	Very low	95 Å²	95	148.4 Å²	148.4	79%	0.785	85%	0.852	S	S	*	*			trans	-65	139.8	178.5	0	0	0	0	0	113
12	Q	43.2	Very low	40.3	Very low	181 Å²	181	142.5 Å²	142.5	85%	0.846	84%	0.835	S	S	*	*			trans	-140.7	138.1	159.8	-75.2	-72.3	-35	0	0	108.7
13	T	44.3	Very low	39.9	Very low	129 Å²	129	139.1 Å²	139.1	79%	0.791	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-72.1	147.9	-165.2	41.8	0	0	0	0	115.1
14	F	34.4	Very low	39.7	Very low	207 Å²	207	136.6 Å²	136.6	91%	0.908	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.8	144.5	170.8	-68.5	-86.6	0	0	0	112.3
15	P	49.2	Very low	38.9	Very low	115 Å²	115	135.3 Å²	135.3	75%	0.747	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-97.6	132	154.9	33.1	-24.8	0	0	0	111.1
16	T	34	Very low	38.4	Very low	144 Å²	144	130.7 Å²	130.7	88%	0.883	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-65.2	133.7	165.5	30.2	0	0	0	0	110.5
17	L	39.7	Very low	37.9	Very low	167 Å²	167	127.4 Å²	127.4	87%	0.874	83%	0.825	S	S	*	*			trans	-117.2	116.4	166.7	-97.3	162.6	0	0	0	109.7
18	T	38	Very low	37	Very low	134 Å²	134	126.3 Å²	126.3	82%	0.822	82%	0.824	S	S	*	*			trans	-60.8	139.1	177	24.4	0	0	0	0	113.5
19	V	30.8	Very low	36.9	Very low	136 Å²	136	122.9 Å²	122.9	82%	0.824	82%	0.82	S	S	*	*			trans	-71.4	128.6	168.9	174.5	0	0	0	0	109.7	T21	V19-T21 HydrophobicContact CG1-CG2 4.43Å
20	A	35.8	Very low	36.4	Very low	101 Å²	101	122.3 Å²	122.3	84%	0.835	82%	0.824	S	S	*	*			trans	-105	114.9	165.1	0	0	0	0	0	109.2
21	T	32.6	Very low	35.7	Very low	132 Å²	132	120.7 Å²	120.7	81%	0.81	82%	0.818	S	S	*	*			trans	-83.7	133.1	168.1	46.3	0	0	0	0	110.1	V19	V19-T21 HydrophobicContact CG1-CG2 4.43Å
22	S	38.4	Very low	35.4	Very low	122 Å²	122	122.9 Å²	122.9	85%	0.853	82%	0.817	S	S	*	*			trans	-138.8	110.9	157.1	59.4	0	0	0	0	109.7
23	A	30.8	Very low	34.8	Very low	101 Å²	101	123.4 Å²	123.4	84%	0.835	82%	0.816	S	S	*	*			trans	-87.6	156.8	167.6	0	0	0	0	0	110.5
24	A	35.5	Very low	33.9	Very low	104 Å²	104	122.7 Å²	122.7	86%	0.86	82%	0.815	S	S	*	*			trans	133.6	134.5	165.4	0	0	0	0	0	109.7
25	A	35.2	Very low	33.8	Very low	96 Å²	96	119.9 Å²	119.9	79%	0.793	82%	0.816	S	S	*	*			cis	-161.9	160.6	8.2	0	0	0	0	0	111.1
26	A	31.9	Very low	32.7	Very low	102 Å²	102	119.3 Å²	119.3	84%	0.843	82%	0.821	S	S	*	*			trans	-10.6	160.7	151.4	0	0	0	0	0	118.9
27	A	33.7	Very low	32.6	Very low	89 Å²	89	116.8 Å²	116.8	74%	0.736	81%	0.814	S	S	*	*			cis	-165.7	139.5	25.1	0	0	0	0	0	107.8
28	A	28.8	Very low	32.2	Very low	105 Å²	105	113.6 Å²	113.6	87%	0.868	81%	0.806	S	S	*	*				48.8	111.8	94.4	0	0	0	0	0	119
29	A	34.7	Very low	31.8	Very low	97 Å²	97	117.5 Å²	117.5	80%	0.802	81%	0.812	S	S	*	*			trans	-173	105.1	145.4	0	0	0	0	0	109.2
30	A	32	Very low	31.7	Very low	95 Å²	95	114.8 Å²	114.8	79%	0.785	81%	0.811	S	S	*	*				58	98.9	94.7	0	0	0	0	0	113.7
31	A	28.8	Very low	31.3	Very low	83 Å²	83	114.8 Å²	114.8	69%	0.686	81%	0.811	S	S	*	*				67.2	116.5	94.4	0	0	0	0	0	114.4
32	N	32.3	Very low	31.1	Very low	141 Å²	141	117.6 Å²	117.6	75%	0.754	82%	0.815	S	S	*	*				161.5	129.3	121.7	-84.2	-23.1	0	0	0	115.9
33	F	30.4	Very low	30.4	Very low	191 Å²	191	116.5 Å²	116.5	84%	0.838	81%	0.814	S	S	*	*			trans	78.7	131.9	138	-82.1	-98.8	0	0	0	124.1
34	C	25.4	Very low	30.4	Very low	114 Å²	114	116.9 Å²	116.9	77%	0.77	81%	0.81	S	S	*	*			trans	-62.6	158	175.2	-55.7	0	0	0	0	114.8
35	T	32.6	Very low	29.9	Very low	149 Å²	149	118.7 Å²	118.7	91%	0.914	81%	0.811	S	S	*	*				-165.6	135.5	121.3	25.8	0	0	0	0	110.6
36	A	25.6	Very low	29.6	Very low	103 Å²	103	120.5 Å²	120.5	85%	0.851	81%	0.812	S	S	*	*			trans	-86.5	151.4	175.6	0	0	0	0	0	112
37	A	31.8	Very low	29.3	Very low	90 Å²	90	121.7 Å²	121.7	74%	0.744	82%	0.815	S	S	*	*			trans	179.7	102.1	155.5	0	0	0	0	0	107.3
38	S	31.8	Very low	29.1	Very low	101 Å²	101	120.8 Å²	120.8	71%	0.706	81%	0.814	S	S	*	*				89.9	114.9	86.4	65.5	0	0	0	0	114
39	F	28.8	Very low	29.4	Very low	215 Å²	215	121.8 Å²	121.8	94%	0.943	81%	0.811	S	S	*	*			trans	38.7	123.7	145.1	-65.3	-86.3	0	0	0	120.8
40	G	29.1	Very low	29	Very low	79 Å²	79	126.8 Å²	126.8	81%	0.814	82%	0.815	S	S	*	*			trans	-174.1	90.5	161.4	0	0	0	0	0	109.9
41	A	26.7	Very low	29	Very low	101 Å²	101	127.1 Å²	127.1	84%	0.835	82%	0.818	S	S	*	*			trans	-74.2	125.6	170.8	0	0	0	0	0	109.2
42	E	28.7	Very low	29	Very low	191 Å²	191	127.9 Å²	127.9	89%	0.893	81%	0.814	S	S	*	*			trans	-140.5	122.7	156	-70.8	-164.6	138.2	0	0	109.7
43	A	24.7	Very low	29	Very low	100 Å²	100	126.4 Å²	126.4	83%	0.826	81%	0.81	S	S	*	*			trans	-67.8	133.3	167.8	0	0	0	0	0	108.9
44	S	30.1	Very low	29	Very low	108 Å²	108	127 Å²	127	76%	0.755	81%	0.808	S	S	*	*			trans	-144.8	101.2	159.6	-86.5	0	0	0	0	109.6	T46	S44-T46 PolarHBondContact O-N 2.86Å
45	T	24.3	Very low	29.3	Very low	143 Å²	143	132 Å²	132	88%	0.877	81%	0.813	S	S	*	*			trans	-52.6	112.3	155.5	40.7	0	0	0	0	110.1
46	T	30.3	Very low	29.5	Very low	134 Å²	134	130.4 Å²	130.4	82%	0.822	81%	0.808	S	S	*	*			trans	-137.3	105.4	158.4	44.1	0	0	0	0	109.8	S44	S44-T46 PolarHBondContact O-N 2.86Å
47	S	25.7	Very low	29.7	Very low	127 Å²	127	129.4 Å²	129.4	89%	0.888	81%	0.807	S	S	*	*			trans	-58.2	140.2	163.3	51.3	0	0	0	0	112.4
48	G	28.7	Very low	29.5	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	80%	0.804	S	S	*	*			trans	152	157.6	147.3	0	0	0	0	0	114.9
49	P	34.6	Very low	29.7	Very low	125 Å²	125	131.5 Å²	131.5	81%	0.812	81%	0.813	S	S	*	*			cis	-123.3	142.2	-7.3	32	-14	0	0	0	113.5
50	F	27.6	Very low	29.8	Very low	202 Å²	202	129.9 Å²	129.9	89%	0.886	81%	0.809	S	S	*	*			trans	-55.9	131.8	153	-80.6	-98.9	0	0	0	108.8	T52	F50-T52 PolarHBondContact O-N 3.29Å; F50-T52 VanDerWaalsContact O-N 3.08Å
51	A	30.4	Very low	30.1	Very low	102 Å²	102	133.2 Å²	133.2	84%	0.843	81%	0.807	S	S	*	*			trans	-73.6	99.4	171.5	0	0	0	0	0	109.3	V53	A51-V53 PolarHBondContact O-N 3.27Å
52	T	30	Very low	30.4	Very low	99 Å²	99	137.2 Å²	137.2	61%	0.607	81%	0.809	S	S	*	*			trans	-64.7	122.4	167.2	-54.3	0	0	0	0	109.7	F50 Y54	F50-T52 PolarHBondContact O-N 3.29Å; F50-T52 VanDerWaalsContact O-N 3.08Å; T52-Y54 HydrophobicContact CG2-CD2 3.83Å; T52-Y54 HydrophobicContact CG2-CE2 3.55Å
53	V	31	Very low	30.5	Very low	111 Å²	111	131.9 Å²	131.9	67%	0.673	81%	0.805	S	S	*	*			trans	-84.9	110.7	166.4	177.3	0	0	0	0	107.3	A51 Y55	A51-V53 PolarHBondContact O-N 3.27Å; V53-Y55 HydrophobicContact CG1-CD2 4.15Å; V53-Y55 HydrophobicContact CG1-CE2 3.84Å
54	Y	30.2	Very low	30.7	Very low	203 Å²	203	132.1 Å²	132.1	80%	0.796	81%	0.807	S	S	*	*			trans	-85.6	123.7	167.5	-76.9	-90.8	0	0	0	109.1	T52	T52-Y54 HydrophobicContact CG2-CD2 3.83Å; T52-Y54 HydrophobicContact CG2-CE2 3.55Å
55	Y	32	Very low	30.9	Very low	218 Å²	218	131.9 Å²	131.9	86%	0.855	81%	0.811	S	S	*	*			trans	-96.3	110	158.1	-74.8	-83.2	0	0	0	107.4	V53	V53-Y55 HydrophobicContact CG1-CD2 4.15Å; V53-Y55 HydrophobicContact CG1-CE2 3.84Å
56	S	37.7	Very low	31.1	Very low	117 Å²	117	129.3 Å²	129.3	82%	0.818	81%	0.813	S	S	*	*			trans	-90.2	113.7	164.3	50.1	0	0	0	0	108.1
57	G	28.6	Very low	31.1	Very low	81 Å²	81	126.6 Å²	126.6	84%	0.835	81%	0.812	S	S	*	*			trans	-75.2	164.8	167	0	0	0	0	0	112
58	G	27.9	Very low	31.4	Very low	65 Å²	65	125.6 Å²	125.6	67%	0.67	81%	0.811	S	S	*	*			trans	135.6	90.6	172.6	0	0	0	0	0	111.3
59	D	35.7	Very low	31.3	Very low	170 Å²	170	130.6 Å²	130.6	91%	0.909	82%	0.816	S	S	*	*				-167.7	135.2	113.8	-88.3	-28	0	0	0	110.6
60	Q	31.3	Very low	31.1	Very low	181 Å²	181	130.1 Å²	130.1	85%	0.846	82%	0.815	S	S	*	*			trans	-59.8	152.7	-174	-67.2	-177.1	-13.9	0	0	112.4
61	L	35.9	Very low	31	Very low	149 Å²	149	129.5 Å²	129.5	78%	0.78	81%	0.812	S	S	*	*				-174.3	112.9	121.3	-91.4	170.9	0	0	0	110.4
62	Q	32.1	Very low	30.9	Very low	186 Å²	186	129.9 Å²	129.9	87%	0.869	80%	0.804	S	S	*	*			trans	27.2	123.1	149.8	-70.6	149.9	-13.6	0	0	120.9
63	G	31.8	Very low	30.7	Very low	79 Å²	79	134.8 Å²	134.8	81%	0.814	82%	0.817	S	S	*	*			trans	160.8	88	158.4	0	0	0	0	0	115.7
64	A	29.4	Very low	30.4	Very low	105 Å²	105	140.4 Å²	140.4	87%	0.868	83%	0.826	S	S	*	*			trans	10	141.5	157.9	0	0	0	0	0	123.2
65	A	33.4	Very low	30.3	Very low	102 Å²	102	139.3 Å²	139.3	84%	0.843	83%	0.828	S	S	*	*			trans	89.6	93	145.9	0	0	0	0	0	119.8
66	G	28.6	Very low	30.2	Very low	89 Å²	89	135.5 Å²	135.5	92%	0.918	83%	0.83	S	S	*	*				73.1	111.3	115.5	0	0	0	0	0	119.3
67	G	30.3	Very low	29.6	Very low	78 Å²	78	133.3 Å²	133.3	80%	0.804	83%	0.826	S	S	*	*			trans	159.5	109.9	160.4	0	0	0	0	0	113.3
68	A	32.4	Very low	29.4	Very low	105 Å²	105	136 Å²	136	87%	0.868	83%	0.826	S	S	*	*			trans	-62.3	142.9	-168.5	0	0	0	0	0	115.8
69	H	25.9	Very low	29.3	Very low	176 Å²	176	139.2 Å²	139.2	82%	0.815	84%	0.837	S	S	*	*			trans	-71	134.9	166.5	-79.5	-98.6	0	0	0	111.6
70	S	31.2	Very low	28.8	Very low	114 Å²	114	138.6 Å²	138.6	80%	0.797	83%	0.834	S	S	*	*			trans	-127.8	112.9	151.4	53.3	0	0	0	0	109.6
71	F	24.3	Very low	28.4	Very low	189 Å²	189	135.2 Å²	135.2	83%	0.829	83%	0.83	S	S	*	*			trans	-76.5	121.1	177.7	-125	-101.1	0	0	0	108.6
72	V	29.3	Very low	28	Very low	111 Å²	111	136.5 Å²	136.5	67%	0.673	84%	0.837	S	S	*	*			trans	-123.7	106.1	165.3	179.7	0	0	0	0	108.7	R74	V72-R74 HydrophobicContact CG1-CG 4.22Å
73	K	25.1	Very low	27.7	Very low	201 Å²	201	136.3 Å²	136.3	87%	0.874	84%	0.836	S	S	*	*			trans	-63.2	124.9	162.3	-114.7	175.3	174	179.9	0	108
74	R	25.8	Very low	27.4	Very low	230 Å²	230	138.4 Å²	138.4	87%	0.868	84%	0.839	S	S	*	*			trans	-130.2	131.6	160	-82.1	-171	-151.9	-142.3	4	110.7	V72	V72-R74 HydrophobicContact CG1-CG 4.22Å
75	E	26.7	Very low	27.1	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	83%	0.832	S	S	*	*			trans	-68.2	155.4	176	-59.3	-172.4	137.3	0	0	111.7	G77	E75-G77 PolarHBondContact O-N 3.1Å; E75-G77 VanDerWaalsContact O-N 3.08Å
76	P	29.8	Very low	26.8	Very low	137 Å²	137	138.7 Å²	138.7	89%	0.89	83%	0.828	S	S	*	*			trans	-78.6	98	178.9	30.4	-29.1	0	0	0	110.4
77	G	26	Very low	26.7	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	82%	0.824	S	S	*	*			trans	-78.3	134.4	167.1	0	0	0	0	0	112	E75	E75-G77 PolarHBondContact O-N 3.1Å; E75-G77 VanDerWaalsContact O-N 3.08Å
78	T	24.3	Very low	26.3	Very low	137 Å²	137	144.5 Å²	144.5	84%	0.84	83%	0.825	S	S	*	*			trans	-51.8	135.2	169.6	46.9	0	0	0	0	113
79	C	26.6	Very low	26	Very low	134 Å²	134	144.3 Å²	144.3	91%	0.905	82%	0.815	S	S	*	*			trans	-149.3	122.2	152.6	-103.9	0	0	0	0	111.4
80	N	23.6	Very low	25.9	Very low	156 Å²	156	147.1 Å²	147.1	83%	0.834	82%	0.82	S	S	*	*			trans	-75.4	162.4	168.1	-81.1	-40.9	0	0	0	111.2
81	S	24.4	Very low	25.5	Very low	111 Å²	111	147 Å²	147	78%	0.776	82%	0.819	S	S	*	*			trans	83.1	106.3	156.2	-56.8	0	0	0	0	117.6
82	L	27.8	Very low	25.6	Very low	176 Å²	176	144.6 Å²	144.6	92%	0.921	82%	0.82	S	S	*	*				-160	128.5	112.8	-102.1	157.8	0	0	0	110.3
83	Q	24	Very low	25.4	Very low	181 Å²	181	146.9 Å²	146.9	85%	0.846	83%	0.827	S	S	*	*			trans	-70.9	146.1	179.5	-67	164.9	-41.4	0	0	111.3
84	S	26.4	Very low	25.3	Very low	124 Å²	124	141.6 Å²	141.6	87%	0.867	82%	0.821	S	S	*	*			trans	-162.1	136.1	132.1	3.9	0	0	0	0	111
85	A	23	Very low	25.2	Very low	88 Å²	88	134.8 Å²	134.8	73%	0.727	81%	0.814	S	S	*	*			trans	-54.4	153.4	-172.7	0	0	0	0	0	114.3
86	T	27.5	Very low	25	Very low	124 Å²	124	132.7 Å²	132.7	76%	0.761	81%	0.813	S	S	*	*				-165.5	120.9	86.9	26.4	0	0	0	0	112.9
87	T	25.4	Very low	24.8	Very low	136 Å²	136	130.7 Å²	130.7	83%	0.834	81%	0.808	S	S	*	*			trans	53.1	104.7	139	51.7	0	0	0	0	121.2
88	N	23.1	Very low	24.7	Very low	154 Å²	154	134.1 Å²	134.1	82%	0.824	81%	0.81	S	S	*	*			trans	-123.2	119.9	149.7	-179.2	8.2	0	0	0	107.9
89	P	25.2	Very low	24.7	Very low	101 Å²	101	135 Å²	135	66%	0.656	81%	0.809	S	S	*	*			trans	-102.3	115	169.5	33.2	-21.2	0	0	0	109.4
90	Y	24	Very low	24.7	Very low	234 Å²	234	133 Å²	133	92%	0.918	80%	0.803	S	S	*	*			trans	169.6	79.5	141	-94.5	-68.9	0	0	0	108.4
91	S	23.2	Very low	24.6	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	80%	0.796	S	S	*	*			trans	-157.5	93.4	159.2	63.3	0	0	0	0	110.3
92	T	25.8	Very low	24.6	Very low	137 Å²	137	134.6 Å²	134.6	84%	0.84	80%	0.801	S	S	*	*			trans	-156	124.9	159.5	-17.2	0	0	0	0	102.7
93	I	26.1	Very low	24.6	Very low	159 Å²	159	135.8 Å²	135.8	82%	0.815	80%	0.799	S	S	*	*			cis	-157.4	145	49.3	-74.9	159.8	0	0	0	108
94	A	22.3	Very low	24.6	Very low	90 Å²	90	134 Å²	134	74%	0.744	80%	0.795	S	S	*	*			trans	-97.1	166.7	170.8	0	0	0	0	0	111.1
95	A	23.5	Very low	24.6	Very low	88 Å²	88	135 Å²	135	73%	0.727	79%	0.786	S	S	*	*			trans	75.5	135.7	170.9	0	0	0	0	0	114.2
96	T	24.1	Very low	24.6	Very low	135 Å²	135	137.5 Å²	137.5	83%	0.828	79%	0.787	S	S	*	*			cis	-172.1	165.1	14.7	11.2	0	0	0	0	107.6
97	A	24.7	Very low	24.6	Very low	95 Å²	95	137.1 Å²	137.1	79%	0.785	79%	0.789	S	S	*	*			trans	85.7	127.1	151.8	0	0	0	0	0	119.5
98	N	24.4	Very low	24.6	Very low	143 Å²	143	134.5 Å²	134.5	77%	0.765	78%	0.781	S	S	*	*			trans	-46.8	144.9	164.2	-52.6	-44.1	0	0	0	112
99	D	24.5	Very low	24.8	Very low	155 Å²	155	134.2 Å²	134.2	83%	0.829	78%	0.78	S	S	*	*				169.6	140.9	112.3	-85.9	-28.3	0	0	0	112.5
100	A	25	Very low	25	Very low	93 Å²	93	137.5 Å²	137.5	77%	0.769	79%	0.786	S	S	*	*			trans	42.7	132	145.3	0	0	0	0	0	121.5
101	G	23.1	Very low	25.4	Very low	68 Å²	68	133.3 Å²	133.3	70%	0.701	78%	0.779	S	S	*	*			trans	-65.3	179	167.5	0	0	0	0	0	115
102	R	23.7	Very low	25.6	Very low	232 Å²	232	135.1 Å²	135.1	88%	0.875	78%	0.78	S	S	*	*			trans	79.8	117.8	-170.5	-57	176.2	162.4	-134.3	-3.4	110.6
103	F	26.9	Very low	25.8	Very low	202 Å²	202	138.4 Å²	138.4	89%	0.886	78%	0.783	S	S	*	*				-152.3	146.5	68.8	-100.3	-97.1	0	0	0	112.7
104	L	25.3	Very low	26.1	Very low	142 Å²	142	135.4 Å²	135.4	74%	0.743	78%	0.782	S	S	*	*			trans	-66.2	161.4	171.2	-70.8	156.2	0	0	0	112.5
105	Q	25.7	Very low	26.4	Very low	147 Å²	147	135.6 Å²	135.6	69%	0.687	78%	0.783	S	S	*	*			trans	87.5	124.7	139.3	-101.2	136.4	-12.8	0	0	120.6
106	N	23.5	Very low	27	Very low	140 Å²	140	136.5 Å²	136.5	75%	0.749	78%	0.782	S	S	*	*			trans	75.5	136	149.3	-49.8	-26.1	0	0	0	114.4
107	S	27	Very low	27.3	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	79%	0.787	S	S	*	*			cis	-163.1	154.3	39	-51.4	0	0	0	0	110.5
108	A	25.4	Very low	27.6	Very low	80 Å²	80	144.4 Å²	144.4	66%	0.661	79%	0.79	S	S	*	*			trans	-64.5	161.2	165.9	0	0	0	0	0	112.9
109	D	26.5	Very low	27.9	Very low	149 Å²	149	141.1 Å²	141.1	80%	0.797	79%	0.79	S	S	*	*			trans	76.6	151	152.9	-62.2	-36.5	0	0	0	121.4
110	Q	29.8	Very low	28	Very low	170 Å²	170	140.8 Å²	140.8	79%	0.794	79%	0.788	S	S	*	*			trans	94	114.5	170.4	-48.3	-89.3	-16.6	0	0	112.3
111	L	32.1	Very low	28.3	Very low	146 Å²	146	141.3 Å²	141.3	76%	0.764	79%	0.786	S	S	*	*			cis	-156.8	138.5	37.2	-73.9	164.9	0	0	0	113.3
112	N	27.3	Very low	28.6	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	79%	0.792	S	S	*	*			trans	-63	152.9	164.4	-82.6	-51.8	0	0	0	113.5
113	F	31.7	Very low	28.9	Very low	206 Å²	206	142.1 Å²	142.1	90%	0.904	79%	0.792	S	S	*	*			trans	-142.2	101.7	138.8	-87.6	-75.4	0	0	0	111.6
114	A	31.6	Very low	29	Very low	96 Å²	96	136.5 Å²	136.5	79%	0.793	79%	0.79	S	S	*	*			trans	40	123.9	143.2	0	0	0	0	0	123.5
115	A	28	Very low	28.9	Very low	94 Å²	94	141.1 Å²	141.1	78%	0.777	80%	0.798	S	S	*	*			trans	-84.9	-157.6	162.6	0	0	0	0	0	111.1
116	P	36.5	Very low	29	Very low	108 Å²	108	142.2 Å²	142.2	70%	0.701	81%	0.807	S	S	*	*			cis	-139.6	175.9	-12	37.6	-18	0	0	0	114.7
117	F	31.1	Very low	29.3	Very low	212 Å²	212	140.1 Å²	140.1	93%	0.93	80%	0.801	S	S	*	*			trans	-165.7	137.9	134.7	-102.2	-71.1	0	0	0	111.8
118	H	29.4	Very low	29.2	Very low	184 Å²	184	146 Å²	146	85%	0.852	81%	0.808	S	S	*	*			trans	-65.6	156.5	-175.2	-97.5	-102	0	0	0	115.3
119	G	30.8	Very low	29.3	Very low	74 Å²	74	148.8 Å²	148.8	76%	0.763	81%	0.811	S	S	*	*			trans	167.1	106.5	159.4	0	0	0	0	0	113.3
120	D	27.7	Very low	29.5	Very low	147 Å²	147	144 Å²	144	79%	0.786	80%	0.796	S	S	*	*			trans	-62.6	162.8	-168.4	-74.3	-61.5	0	0	0	118.3
121	S	30.2	Very low	29.7	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	80%	0.8	S	S	*	*			trans	105.4	107.9	135.1	74.4	0	0	0	0	119.8
122	Q	30.6	Very low	29.5	Very low	176 Å²	176	142.3 Å²	142.3	82%	0.822	80%	0.796	S	S	*	*			trans	86	125	138.2	-64.4	-168.3	6.2	0	0	121.6
123	T	30.4	Very low	29.6	Very low	142 Å²	142	141.6 Å²	141.6	87%	0.871	80%	0.797	S	S	*	*			trans	92.7	122.3	154	74.1	0	0	0	0	119.2
124	G	28.1	Very low	29.4	Very low	83 Å²	83	139 Å²	139	86%	0.856	79%	0.79	S	S	*	*			trans	112.2	58	153	0	0	0	0	0	118.7
125	R	24.2	Very low	29.2	Very low	240 Å²	240	139.2 Å²	139.2	91%	0.906	78%	0.782	S	S	*	*			trans	-82.7	127.7	164.5	-120.3	-172.5	-162.1	-149	5	110.3
126	L	26.2	Very low	29.3	Very low	170 Å²	170	140.9 Å²	140.9	89%	0.89	79%	0.785	S	S	*	*			trans	-155.5	115.4	136.5	-94.9	179.7	0	0	0	108.7
127	P	30	Very low	28.9	Very low	96 Å²	96	143.2 Å²	143.2	62%	0.623	79%	0.792	S	S	*	*			trans	-88.7	145	173.1	33.7	-28.1	0	0	0	111.3	L129	P127-L129 PolarHBondContact O-N 2.72Å
128	Y	25.9	Very low	28.8	Very low	240 Å²	240	137.7 Å²	137.7	94%	0.941	79%	0.785	S	S	*	*			trans	-65.2	111.7	177.7	-152.3	-102.2	0	0	0	110.1
129	L	28.1	Very low	28.9	Very low	138 Å²	138	133.1 Å²	133.1	72%	0.723	78%	0.779	S	S	*	*			trans	-87.6	123.8	174.8	-76	162.4	0	0	0	109.9	P127	P127-L129 PolarHBondContact O-N 2.72Å
130	G	29.7	Very low	28.8	Very low	47 Å²	47	136.6 Å²	136.6	49%	0.485	78%	0.78	S	S	.	*			trans	-71	162.5	166.6	0	0	0	0	0	111.6	H132	G130-H132 PolarHBondContact O-N 3.3Å; G130-H132 VanDerWaalsContact O-N 3.14Å
131	P	35.1	Very low	28.9	Very low	137 Å²	137	134.3 Å²	134.3	89%	0.89	78%	0.776	S	S	*	*			trans	-69.5	115.6	-174.9	27.1	-31.1	0	0	0	110.6
132	H	27.9	Very low	28.9	Very low	144 Å²	144	134.5 Å²	134.5	67%	0.667	78%	0.777	S	S	*	*			trans	-67.5	130.1	172.6	-81.3	-97.5	0	0	0	110.9	G130 I134	G130-H132 PolarHBondContact O-N 3.3Å; G130-H132 VanDerWaalsContact O-N 3.14Å; H132-I134 PolarHBondContact O-N 3.09Å
133	V	29.3	Very low	28.8	Very low	136 Å²	136	131.5 Å²	131.5	82%	0.824	78%	0.776	S	S	*	*			trans	-72.5	113.2	158.4	176	0	0	0	0	106.6
134	I	27.6	Very low	28.9	Very low	150 Å²	150	130.6 Å²	130.6	77%	0.769	77%	0.772	S	S	*	*			trans	-89.6	110.3	176.7	-58.6	174.7	0	0	0	107.6	H132	H132-I134 PolarHBondContact O-N 3.09Å
135	T	26.3	Very low	28.8	Very low	102 Å²	102	131.8 Å²	131.8	63%	0.626	77%	0.768	S	S	*	*			trans	-77.8	132.9	163.6	46.9	0	0	0	0	108.8	D137	T135-D137 PolarHBondContact O-N 3.45Å
136	P	30.2	Very low	29	Very low	129 Å²	129	129.3 Å²	129.3	84%	0.838	77%	0.766	S	S	*	*			trans	-85.1	102.6	176.6	32.1	-27.2	0	0	0	109
137	D	27.4	Very low	29	Very low	156 Å²	156	130.5 Å²	130.5	83%	0.834	76%	0.764	S	S	*	*			trans	-100.4	147.3	164	-87.2	-42	0	0	0	111.4	T135	T135-D137 PolarHBondContact O-N 3.45Å
138	A	29.4	Very low	28.8	Very low	96 Å²	96	131.1 Å²	131.1	79%	0.793	77%	0.771	S	S	*	*			trans	-71	163.7	-157	0	0	0	0	0	116.4
139	A	31.8	Very low	28.8	Very low	88 Å²	88	128 Å²	128	73%	0.727	77%	0.765	S	S	*	*			trans	103.2	124.2	146.4	0	0	0	0	0	118.3
140	N	29.7	Very low	28.6	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	77%	0.774	S	S	*	*			trans	90.5	89.5	148.5	-67.3	-6.4	0	0	0	119.7
141	S	28.2	Very low	28.2	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	79%	0.788	S	S	*	*				59.6	102.7	113.6	66.9	0	0	0	0	117.4
142	S	31.5	Very low	27.8	Very low	108 Å²	108	135 Å²	135	76%	0.755	78%	0.781	S	S	*	*				175.5	96.5	104.7	34.5	0	0	0	0	111.4
143	S	27.2	Very low	27.6	Very low	114 Å²	114	132.9 Å²	132.9	80%	0.797	78%	0.781	S	S	*	*			trans	60.5	148.4	133.8	45.3	0	0	0	0	122.5
144	P	32.8	Very low	27.4	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	77%	0.774	S	S	*	*				-133.5	165	-128.4	39.9	-22.8	0	0	0	114
145	S	26.3	Very low	27.3	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	78%	0.779	S	S	*	*	S	Bend	trans	-164.8	139.8	142.2	54.6	0	0	0	0	110
146	Q	28.7	Very low	27.4	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	78%	0.782	S	S	*	*	S	Bend	trans	99.3	-0.4	171.4	-52.3	-163.2	33.4	0	0	120.6
147	F	26.1	Very low	27.3	Very low	195 Å²	195	135.6 Å²	135.6	86%	0.855	77%	0.769	S	S	*	*			trans	-129.1	77.8	169.2	-94.5	-91	0	0	0	111.5
148	S	24.9	Very low	27.3	Very low	109 Å²	109	135 Å²	135	76%	0.762	77%	0.765	S	S	*	*			trans	-124.5	34.9	177	88.3	0	0	0	0	114.2
149	Q	27.1	Very low	27.3	Very low	175 Å²	175	139 Å²	139	82%	0.818	77%	0.767	S	S	*	*	S	Bend	trans	-127.5	4.3	-178.6	-83.7	-172.3	-2.1	0	0	118.2
150	W	23.2	Very low	27.3	Very low	239 Å²	239	146.8 Å²	146.8	91%	0.905	78%	0.778	S	S	*	*	S	Bend	trans	-128.9	27.3	179.2	-69.8	-35.7	0	0	0	117.1
151	S	22.6	Very low	27.4	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	77%	0.767	S	S	*	*	S	Bend	trans	-106.7	23	172.5	44.2	0	0	0	0	114.3
152	T	26.3	Very low	27.5	Very low	119 Å²	119	143.3 Å²	143.3	73%	0.73	76%	0.758	S	S	*	*	S	Bend	trans	-128.4	107.1	178.3	-46.7	0	0	0	0	110.8
153	C	22	Very low	27.5	Very low	99 Å²	99	142.8 Å²	142.8	67%	0.669	75%	0.751	S	S	*	*			trans	59.3	92.3	152.2	-59.7	0	0	0	0	117.4
154	L	25.7	Very low	27.6	Very low	131 Å²	131	146.6 Å²	146.6	69%	0.686	75%	0.754	S	S	*	*				-122.9	85.3	127	-69.6	159.1	0	0	0	108.2	F156	L154-F156 HydrophobicContact CB-CD1 4.14Å; L154-F156 HydrophobicContact CB-CD2 3.31Å; L154-F156 HydrophobicContact CB-CE1 3.98Å; L154-F156 HydrophobicContact CB-CE2 3.12Å; L154-F156 HydrophobicContact CB-CG 3.86Å; L154-F156 HydrophobicContact CB-CZ 3.52Å; L154-F156 HydrophobicContact CD1-CD2 4.42Å; L154-F156 HydrophobicContact CD1-CE1 3.83Å; L154-F156 HydrophobicContact CD1-CE2 3.38Å; L154-F156 HydrophobicContact CD1-CZ 3.03Å; L154-F156 HydrophobicContact CD2-CD1 4.26Å; L154-F156 HydrophobicContact CD2-CE1 3.72Å; L154-F156 HydrophobicContact CD2-CE2 4.34Å; L154-F156 HydrophobicContact CD2-CZ 3.82Å; L154-F156 HydrophobicContact CG-CD2 4.3Å; L154-F156 HydrophobicContact CG-CE1 4Å; L154-F156 HydrophobicContact CG-CE2 3.69Å; L154-F156 HydrophobicContact CG-CZ 3.56Å; L154-F156 PolarHBondContact O-N 3.2Å
155	K	26.3	Very low	27.7	Very low	203 Å²	203	146.8 Å²	146.8	88%	0.883	75%	0.747	S	S	*	*			trans	-56.6	85.6	144.4	-77.5	178.3	175.2	180	0	105.4
156	F	27.3	Very low	27.8	Very low	153 Å²	153	145.9 Å²	145.9	67%	0.671	74%	0.741	S	S	*	*			trans	-75.4	139.5	173.8	-78.1	-67.8	0	0	0	108.6	L154	L154-F156 HydrophobicContact CB-CD1 4.14Å; L154-F156 HydrophobicContact CB-CD2 3.31Å; L154-F156 HydrophobicContact CB-CE1 3.98Å; L154-F156 HydrophobicContact CB-CE2 3.12Å; L154-F156 HydrophobicContact CB-CG 3.86Å; L154-F156 HydrophobicContact CB-CZ 3.52Å; L154-F156 HydrophobicContact CD1-CD2 4.42Å; L154-F156 HydrophobicContact CD1-CE1 3.83Å; L154-F156 HydrophobicContact CD1-CE2 3.38Å; L154-F156 HydrophobicContact CD1-CZ 3.03Å; L154-F156 HydrophobicContact CD2-CD1 4.26Å; L154-F156 HydrophobicContact CD2-CE1 3.72Å; L154-F156 HydrophobicContact CD2-CE2 4.34Å; L154-F156 HydrophobicContact CD2-CZ 3.82Å; L154-F156 HydrophobicContact CG-CD2 4.3Å; L154-F156 HydrophobicContact CG-CE1 4Å; L154-F156 HydrophobicContact CG-CE2 3.69Å; L154-F156 HydrophobicContact CG-CZ 3.56Å; L154-F156 PolarHBondContact O-N 3.2Å
157	P	29.5	Very low	27.9	Very low	87 Å²	87	141.7 Å²	141.7	57%	0.565	74%	0.738	S	S	*	*			trans	-71.3	149.3	-155.4	-6.8	23.5	0	0	0	110.6	H159	P157-H159 PolarHBondContact O-N 2.75Å; P157-H159 VanDerWaalsContact O-N 3.1Å
158	D	25.8	Very low	28	Very low	143 Å²	143	137.4 Å²	137.4	77%	0.765	74%	0.739	S	S	*	*			trans	-35	120.2	164.7	-74	-52.7	0	0	0	110.7	R160 S161	D158-R160 PolarHBondContact O-N 3.38Å; D158-S161 PolarHBondContact O-N 3.28Å; D158-S161 PolarHBondContact O-OG 3.11Å
159	H	30.9	Very low	28.3	Very low	179 Å²	179	136.9 Å²	136.9	83%	0.829	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	9	-177.9	-82.8	-83.9	0	0	0	114.8	P157 S161	P157-H159 PolarHBondContact O-N 2.75Å; P157-H159 VanDerWaalsContact O-N 3.1Å; H159-S161 VanDerWaalsContact C-N 3.3Å
160	R	30.4	Very low	28.4	Very low	252 Å²	252	134.3 Å²	134.3	95%	0.951	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-0.8	169.5	-76.2	-170	-177.8	-143.1	1.1	114.4	D158	D158-R160 PolarHBondContact O-N 3.38Å
161	S	32.8	Very low	28.7	Very low	79 Å²	79	128.2 Å²	128.2	55%	0.552	74%	0.736	S	S	*	*			trans	-132.3	63	-176.9	58.7	0	0	0	0	112.6	D158 H159 P163	D158-S161 PolarHBondContact O-N 3.28Å; D158-S161 PolarHBondContact O-OG 3.11Å; H159-S161 VanDerWaalsContact C-N 3.3Å; S161-P163 VanDerWaalsContact O-CD 3.23Å; S161-P163 WeakPolarHBondContact O-CD 3.23Å
162	N	30.3	Very low	29	Very low	95 Å²	95	127.2 Å²	127.2	51%	0.508	73%	0.734	S	S	.	*			trans	-99	98.8	164.8	-163.2	-12.3	0	0	0	109.7	F164 I165	N162-F164 PolarHBondContact O-N 3.43Å; N162-F164 VanDerWaalsContact O-N 3.09Å; N162-I165 PolarHBondContact O-N 3.36Å
163	P	30.9	Very low	29.2	Very low	96 Å²	96	131.2 Å²	131.2	62%	0.623	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	4.8	-172.5	29.9	-34.6	0	0	0	114.3	S161	S161-P163 VanDerWaalsContact O-CD 3.23Å; S161-P163 WeakPolarHBondContact O-CD 3.23Å
164	F	30.1	Very low	29.7	Very low	195 Å²	195	133.3 Å²	133.3	86%	0.855	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-0.4	176.6	-87.8	-85.2	0	0	0	114.7	N162	N162-F164 PolarHBondContact O-N 3.43Å; N162-F164 VanDerWaalsContact O-N 3.09Å
165	I	34.2	Very low	30	Very low	127 Å²	127	130.3 Å²	130.3	65%	0.651	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-7.6	178.3	-60.9	179.6	0	0	0	112.4	N162	N162-I165 PolarHBondContact O-N 3.36Å
166	S	29.1	Very low	30.2	Very low	89 Å²	89	129 Å²	129	62%	0.622	75%	0.754	S	S	*	*	S	Bend	trans	-104.5	15.7	-166.2	64.1	0	0	0	0	117.6
167	A	29.8	Very low	30.4	Very low	98 Å²	98	127.7 Å²	127.7	81%	0.81	76%	0.762	S	S	*	*	S	Bend	trans	-116	7.9	-168.2	0	0	0	0	0	117.6
168	A	29.5	Very low	30.3	Very low	106 Å²	106	126.7 Å²	126.7	88%	0.876	77%	0.767	S	S	*	*	S	Bend	trans	-138.1	12.6	-172.3	0	0	0	0	0	117.8
169	A	30.7	Very low	30.4	Very low	98 Å²	98	125.2 Å²	125.2	81%	0.81	77%	0.768	S	S	*	*	S	Bend	trans	-140.1	14.2	-177.2	0	0	0	0	0	116
170	S	28.3	Very low	30.3	Very low	120 Å²	120	122.6 Å²	122.6	84%	0.839	76%	0.764	S	S	*	*			trans	-112.3	71.1	-175.4	-56.2	0	0	0	0	112.1
171	S	29.8	Very low	30	Very low	112 Å²	112	120 Å²	120	78%	0.783	76%	0.763	S	S	*	*	S	Bend	trans	-156.6	124.4	158.7	57.1	0	0	0	0	110
172	A	30.4	Very low	29.7	Very low	90 Å²	90	119.6 Å²	119.6	74%	0.744	77%	0.771	S	S	*	*			trans	80	96	178.8	0	0	0	0	0	115.7
173	F	30.4	Very low	29.5	Very low	204 Å²	204	119 Å²	119	90%	0.895	79%	0.787	S	S	*	*				-179.9	99.9	107.4	-107.3	-88.3	0	0	0	109.3
174	T	32.6	Very low	29.4	Very low	143 Å²	143	122 Å²	122	88%	0.877	80%	0.795	S	S	*	*			trans	-71.8	124.6	161	41.1	0	0	0	0	108.9
175	G	31.3	Very low	29.2	Very low	68 Å²	68	117 Å²	117	70%	0.701	79%	0.79	S	S	*	*			trans	154.8	95.5	165.1	0	0	0	0	0	116.5
176	L	31.1	Very low	29	Very low	175 Å²	175	119.5 Å²	119.5	92%	0.916	80%	0.796	S	S	*	*			trans	69.1	135.9	149.1	-71.7	142.4	0	0	0	120.5
177	P	30.9	Very low	29.2	Very low	126 Å²	126	122.5 Å²	122.5	82%	0.818	81%	0.805	S	S	*	*			trans	-93.6	134.1	-177.6	36.5	-29.2	0	0	0	111.8
178	G	27.6	Very low	29.5	Very low	65 Å²	65	121.4 Å²	121.4	67%	0.67	78%	0.783	S	S	*	*			trans	144.6	136.2	168.9	0	0	0	0	0	112.1
179	S	28	Very low	29.6	Very low	113 Å²	113	121.8 Å²	121.8	79%	0.79	78%	0.777	S	S	*	*			trans	92.8	94.6	170.2	-23.4	0	0	0	0	117.1
180	T	27.6	Very low	29.9	Very low	124 Å²	124	126.1 Å²	126.1	76%	0.761	77%	0.774	S	S	*	*				37.9	122.4	120.5	57.6	0	0	0	0	120.1
181	H	25.2	Very low	30.5	Very low	197 Å²	197	121.4 Å²	121.4	91%	0.912	74%	0.741	S	S	*	*			trans	57.7	93.5	156	-71.5	-85.2	0	0	0	117.4
182	G	26.9	Very low	31.4	Very low	70 Å²	70	123.3 Å²	123.3	72%	0.722	74%	0.737	S	S	*	*			trans	-136.4	95.3	164.8	0	0	0	0	0	110.3	M184	G182-M184 PolarHBondContact O-N 3.38Å
183	G	25.6	Very low	32.3	Very low	83 Å²	83	120.4 Å²	120.4	86%	0.856	71%	0.71	S	S	*	*			trans	-61.2	122.3	175.5	0	0	0	0	0	111.4
184	M	29	Very low	33	Very low	158 Å²	158	112 Å²	112	78%	0.778	68%	0.681	S	S	*	*			trans	-92.8	99.3	164.7	-69.8	-174.4	-177.7	0	0	108.2	G182 F186	G182-M184 PolarHBondContact O-N 3.38Å; M184-F186 HydrophobicContact CB-CE2 4.04Å; M184-F186 HydrophobicContact CB-CZ 4.32Å; M184-F186 VanDerWaalsContact O-CD2 3.3Å; M184-F186 WeakPolarHBondContact O-CD2 3.44Å; M184-F186 PolarHBondContact O-N 2.81Å
185	A	26.4	Very low	33.8	Very low	92 Å²	92	107.9 Å²	107.9	76%	0.76	66%	0.662	S	S	*	*			trans	-64.3	99.9	167.8	0	0	0	0	0	109.4	N187	A185-N187 PolarHBondContact O-N 2.92Å
186	F	28.3	Very low	34.7	Very low	178 Å²	178	107.4 Å²	107.4	78%	0.781	64%	0.64	S	S	*	*			trans	-75.8	91.2	168.4	-68.2	-81.3	0	0	0	109.2	M184 H188	M184-F186 HydrophobicContact CB-CE2 4.04Å; M184-F186 HydrophobicContact CB-CZ 4.32Å; M184-F186 VanDerWaalsContact O-CD2 3.3Å; M184-F186 WeakPolarHBondContact O-CD2 3.44Å; M184-F186 PolarHBondContact O-N 2.81Å; F186-H188 PolarHBondContact O-N 3.08Å
187	N	33.7	Very low	35.7	Very low	152 Å²	152	100.9 Å²	100.9	81%	0.813	61%	0.606	S	S	*	*			trans	-60.9	127.8	160.6	-91.7	-55.8	0	0	0	108.8	A185 P189	A185-N187 PolarHBondContact O-N 2.92Å; N187-P189 WeakPolarHBondContact O-CD 3.34Å
188	H	35.5	Very low	36.8	Very low	75 Å²	75	103 Å²	103	35%	0.347	60%	0.598	S	S	.	*			trans	-98.9	118.1	-170.3	161.8	-67.6	0	0	0	112.9	F186 C191 H248	F186-H188 PolarHBondContact O-N 3.08Å; H188-C191 WeakPolarHBondContact CD2-CA 3.47Å; H188-C191 PolarHBondContact CD2-N 2.88Å; H188-C191 WeakPolarHBondContact NE2-CA 3.28Å; H188-C191 WeakPolarHBondContact NE2-CB 3.42Å; H188-C191 PolarHBondContact NE2-N 3.16Å; H188-H248 WeakPolarHBondContact CB-CE1 3.25Å; H188-H248 WeakPolarHBondContact CB-NE2 3.11Å; H188-H248 AromaticContact CD2-CD2 3.47Å; H188-H248 PolarHBondContact CD2-CD2 2.71Å; H188-H248 VanDerWaalsContact CD2-CD2 3.47Å; H188-H248 AromaticContact CD2-CE1 2.95Å; H188-H248 PolarHBondContact CD2-CE1 3.37Å; H188-H248 AromaticContact CD2-CG 3.55Å; H188-H248 AromaticContact CD2-ND1 3.2Å; H188-H248 PolarHBondContact CD2-ND1 3.11Å; H188-H248 AromaticContact CD2-NE2 3.08Å; H188-H248 PolarHBondContact CD2-NE2 3.47Å; H188-H248 AromaticContact CG-CE1 3.12Å; H188-H248 AromaticContact CG-ND1 3.74Å; H188-H248 AromaticContact CG-NE2 3.45Å; H188-H248 AromaticContact ND1-CE1 3.96Å; H188-H248 AromaticContact NE2-CE1 3.73Å; H188-H248 AromaticContact NE2-CG 3.94Å; H188-H248 AromaticContact NE2-ND1 3.53Å
189	P	33.2	Very low	38	Very low	115 Å²	115	105.5 Å²	105.5	75%	0.747	59%	0.588	S	S	*	*	S	Bend	trans	-100	-22.8	161.2	-3.4	24.7	0	0	0	112.3	N187	N187-P189 WeakPolarHBondContact O-CD 3.34Å
190	Y	36.1	Very low	39.3	Very low	188 Å²	188	100.9 Å²	100.9	74%	0.737	55%	0.554	S	S	*	*	S	Bend	trans	-151.4	102.3	-176.8	-89.3	-100.9	0	0	0	109.5	Q192	Y190-Q192 PolarHBondContact O-N 3.09Å; Y190-Q192 VanDerWaalsContact O-N 3.07Å
191	C	41.3	Very low	40.4	Very low	22 Å²	22	103.4 Å²	103.4	15%	0.149	56%	0.555	C	S	.	*			trans	-54.6	116.6	175.6	-145.9	0	0	0	0	109.4	H188 T193 G194 A195 H248	H188-C191 WeakPolarHBondContact CD2-CA 3.47Å; H188-C191 PolarHBondContact CD2-N 2.88Å; H188-C191 WeakPolarHBondContact NE2-CA 3.28Å; H188-C191 WeakPolarHBondContact NE2-CB 3.42Å; H188-C191 PolarHBondContact NE2-N 3.16Å; C191-T193 PolarHBondContact O-N 3.38Å; C191-T193 VanDerWaalsContact O-N 3.12Å; C191-T193 PolarHBondContact SG-OG1 3.14Å; C191-T193 VanDerWaalsContact SG-OG1 3.36Å; C191-G194 WeakPolarHBondContact O-CA 3.42Å; C191-G194 PolarHBondContact O-N 3.39Å; C191-A195 PolarHBondContact O-N 2.83Å; C191-H248 WeakPolarHBondContact SG-CB 3.33Å
192	Q	48.5	Very low	42	Very low	151 Å²	151	101.6 Å²	101.6	71%	0.706	55%	0.547	S	S	*	.	H	α-helix	trans	-55.4	-31	172.2	-66	-158.5	7	0	0	111.4	Y190 G194 A195 F196	Y190-Q192 PolarHBondContact O-N 3.09Å; Y190-Q192 VanDerWaalsContact O-N 3.07Å; Q192-G194 VanDerWaalsContact C-N 3.33Å; Q192-G194 PolarHBondContact O-N 3.24Å; Q192-A195 PolarHBondContact O-N 3.22Å; Q192-F196 PolarHBondContact O-N 2.93Å
193	T	48.3	Very low	43.2	Very low	30 Å²	30	101.8 Å²	101.8	18%	0.184	53%	0.529	C	S	.	.	H	α-helix	trans	-62.5	-35	173.2	-28.4	0	0	0	0	113.5	C191 L197 F251	C191-T193 PolarHBondContact O-N 3.38Å; C191-T193 VanDerWaalsContact O-N 3.12Å; C191-T193 PolarHBondContact SG-OG1 3.14Å; C191-T193 VanDerWaalsContact SG-OG1 3.36Å; T193-L197 PolarHBondContact O-N 2.86Å; T193-F251 HydrophobicContact CG2-CD2 3.9Å; T193-F251 HydrophobicContact CG2-CE2 4.28Å
194	G	45.4	Very low	44.3	Very low	26 Å²	26	107.5 Å²	107.5	27%	0.268	53%	0.533	S	S	.	.	H	α-helix	trans	-75.4	-30.2	176.7	0	0	0	0	0	112.8	C191 Q192 R198	C191-G194 WeakPolarHBondContact O-CA 3.42Å; C191-G194 PolarHBondContact O-N 3.39Å; Q192-G194 VanDerWaalsContact C-N 3.33Å; Q192-G194 PolarHBondContact O-N 3.24Å; G194-R198 WeakPolarHBondContact O-CG 3.48Å; G194-R198 PolarHBondContact O-N 2.88Å
195	A	49.5	Very low	45.4	Very low	58 Å²	58	104.4 Å²	104.4	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-70.7	-41	170.9	0	0	0	0	0	111.1	C191 Q192 L197 R198 Y199	C191-A195 PolarHBondContact O-N 2.83Å; Q192-A195 PolarHBondContact O-N 3.22Å; A195-L197 PolarHBondContact O-N 3.25Å; A195-R198 WeakPolarHBondContact O-CB 3.28Å; A195-R198 PolarHBondContact O-N 3.34Å; A195-R198 VanDerWaalsContact O-N 3.14Å; A195-Y199 PolarHBondContact O-N 3.03Å
196	F	51	Low	46.6	Very low	57 Å²	57	105 Å²	105	25%	0.25	51%	0.513	C	S	.	.	H	α-helix	trans	-59.5	-44	176	-177	-112.1	0	0	0	112.6	Q192 R198 Y199 L200 M210 I231	Q192-F196 PolarHBondContact O-N 2.93Å; F196-R198 VanDerWaalsContact C-N 3.34Å; F196-R198 PolarHBondContact O-N 3.11Å; F196-Y199 WeakPolarHBondContact O-CB 3.17Å; F196-Y199 PolarHBondContact O-N 3.45Å; F196-L200 HydrophobicContact CD1-CD1 3.88Å; F196-L200 HydrophobicContact CD1-CG 4.4Å; F196-L200 HydrophobicContact CE1-CD1 3.39Å; F196-L200 HydrophobicContact CE1-CG 4.09Å; F196-L200 HydrophobicContact CE2-CD1 4.43Å; F196-L200 HydrophobicContact CE2-CD2 4.36Å; F196-L200 HydrophobicContact CE2-CG 4.28Å; F196-L200 HydrophobicContact CZ-CD1 3.7Å; F196-L200 HydrophobicContact CZ-CD2 4.14Å; F196-L200 HydrophobicContact CZ-CG 4.02Å; F196-L200 WeakPolarHBondContact O-CG 3.47Å; F196-L200 PolarHBondContact O-N 3.43Å; F196-M210 HydrophobicContact CE2-SD 4.44Å; F196-I231 HydrophobicContact CE1-CD1 4.43Å
197	L	52	Low	48	Very low	38 Å²	38	97.1 Å²	97.1	20%	0.199	48%	0.48	C	S	.	.	H	α-helix	trans	-65.4	-34.2	174.7	-71.2	178	0	0	0	113.4	T193 A195 K201 M228 F251	T193-L197 PolarHBondContact O-N 2.86Å; A195-L197 PolarHBondContact O-N 3.25Å; L197-K201 WeakPolarHBondContact O-CB 3.42Å; L197-K201 PolarHBondContact O-N 3.25Å; L197-M228 HydrophobicContact CD2-SD 4.23Å; L197-F251 HydrophobicContact CD1-CD2 4.07Å; L197-F251 HydrophobicContact CD1-CE2 3.54Å; L197-F251 HydrophobicContact CD2-CE2 4.49Å; L197-F251 HydrophobicContact CG-CE2 4.28Å
198	R	53.1	Low	49.1	Very low	171 Å²	171	91.4 Å²	91.4	65%	0.645	45%	0.454	S	S	*	.	H	α-helix	trans	-67.4	-41.4	173.7	-71	-179	-139.2	-164.4	4.2	111	G194 A195 F196 K201 Q202	G194-R198 WeakPolarHBondContact O-CG 3.48Å; G194-R198 PolarHBondContact O-N 2.88Å; A195-R198 WeakPolarHBondContact O-CB 3.28Å; A195-R198 PolarHBondContact O-N 3.34Å; A195-R198 VanDerWaalsContact O-N 3.14Å; F196-R198 VanDerWaalsContact C-N 3.34Å; F196-R198 PolarHBondContact O-N 3.11Å; R198-K201 WeakPolarHBondContact O-CB 3.49Å; R198-K201 PolarHBondContact O-N 3.26Å; R198-Q202 WeakPolarHBondContact O-CB 3.43Å; R198-Q202 PolarHBondContact O-N 2.95Å; R198-Q202 VanDerWaalsContact O-N 3.11Å
199	Y	53.1	Low	50.1	Low	117 Å²	117	88 Å²	88	46%	0.459	44%	0.439	S	S	.	.	H	α-helix	trans	-60.7	-49.6	174.4	172.9	-97	0	0	0	111.5	A195 F196 K201 Q202 Q203	A195-Y199 PolarHBondContact O-N 3.03Å; F196-Y199 WeakPolarHBondContact O-CB 3.17Å; F196-Y199 PolarHBondContact O-N 3.45Å; Y199-K201 PolarHBondContact O-N 3.17Å; Y199-Q202 WeakPolarHBondContact O-CA 3.46Å; Y199-Q202 WeakPolarHBondContact O-CB 3.44Å; Y199-Q202 PolarHBondContact O-N 3.14Å; Y199-Q203 HydrophobicContact CD1-CG 4.22Å; Y199-Q203 HydrophobicContact CD2-CG 4.14Å; Y199-Q203 HydrophobicContact CE1-CG 3.8Å; Y199-Q203 HydrophobicContact CE2-CG 3.71Å; Y199-Q203 VanDerWaalsContact CE2-NE2 3.32Å; Y199-Q203 HydrophobicContact CG-CG 4.38Å; Y199-Q203 WeakPolarHBondContact O-CG 3.4Å; Y199-Q203 PolarHBondContact O-N 3.24Å
200	L	54.5	Low	51	Low	17 Å²	17	88.1 Å²	88.1	9%	0.089	43%	0.43	C	S	.	.	H	α-helix	trans	-62.2	-28	176.1	-70.4	-179.3	0	0	0	113.3	F196 Q202 Q203 P207 M228 I231	F196-L200 HydrophobicContact CD1-CD1 3.88Å; F196-L200 HydrophobicContact CD1-CG 4.4Å; F196-L200 HydrophobicContact CE1-CD1 3.39Å; F196-L200 HydrophobicContact CE1-CG 4.09Å; F196-L200 HydrophobicContact CE2-CD1 4.43Å; F196-L200 HydrophobicContact CE2-CD2 4.36Å; F196-L200 HydrophobicContact CE2-CG 4.28Å; F196-L200 HydrophobicContact CZ-CD1 3.7Å; F196-L200 HydrophobicContact CZ-CD2 4.14Å; F196-L200 HydrophobicContact CZ-CG 4.02Å; F196-L200 WeakPolarHBondContact O-CG 3.47Å; F196-L200 PolarHBondContact O-N 3.43Å; L200-Q202 VanDerWaalsContact C-N 3.32Å; L200-Q203 VanDerWaalsContact O-O 3.13Å; L200-P207 HydrophobicContact CD1-CB 4.23Å; L200-P207 HydrophobicContact CD2-CB 4.22Å; L200-M228 HydrophobicContact CB-CE 4.12Å; L200-I231 HydrophobicContact CD1-CD1 3.85Å
201	K	52.4	Low	51.8	Low	176 Å²	176	80.6 Å²	80.6	77%	0.765	40%	0.401	S	S	*	.	H	α-helix	trans	-72.1	-29.1	172.5	-175.9	-180	178.2	-175.8	0	112.2	L197 R198 Y199	L197-K201 WeakPolarHBondContact O-CB 3.42Å; L197-K201 PolarHBondContact O-N 3.25Å; R198-K201 WeakPolarHBondContact O-CB 3.49Å; R198-K201 PolarHBondContact O-N 3.26Å; Y199-K201 PolarHBondContact O-N 3.17Å
202	Q	57.1	Low	52.2	Low	159 Å²	159	84.4 Å²	84.4	74%	0.743	42%	0.423	S	S	*	.	H	α-helix	trans	-89.4	-32.5	-173.5	-152.9	164	16	0	0	111.9	R198 Y199 L200 Q204	R198-Q202 WeakPolarHBondContact O-CB 3.43Å; R198-Q202 PolarHBondContact O-N 2.95Å; R198-Q202 VanDerWaalsContact O-N 3.11Å; Y199-Q202 WeakPolarHBondContact O-CA 3.46Å; Y199-Q202 WeakPolarHBondContact O-CB 3.44Å; Y199-Q202 PolarHBondContact O-N 3.14Å; L200-Q202 VanDerWaalsContact C-N 3.32Å; Q202-Q204 PolarHBondContact O-N 3.4Å
203	Q	53.4	Low	51.9	Low	75 Å²	75	80.9 Å²	80.9	35%	0.35	41%	0.407	S	S	.	.	S	Bend	trans	-79.1	107.4	169.1	-57.4	-62.9	-27.9	0	0	107.9	Y199 L200 T205	Y199-Q203 HydrophobicContact CD1-CG 4.22Å; Y199-Q203 HydrophobicContact CD2-CG 4.14Å; Y199-Q203 HydrophobicContact CE1-CG 3.8Å; Y199-Q203 HydrophobicContact CE2-CG 3.71Å; Y199-Q203 VanDerWaalsContact CE2-NE2 3.32Å; Y199-Q203 HydrophobicContact CG-CG 4.38Å; Y199-Q203 WeakPolarHBondContact O-CG 3.4Å; Y199-Q203 PolarHBondContact O-N 3.24Å; L200-Q203 VanDerWaalsContact O-O 3.13Å; Q203-T205 WeakPolarHBondContact CB-OG1 3.43Å; Q203-T205 PolarHBondContact O-N 2.98Å
204	Q	49	Very low	51.7	Low	203 Å²	203	83.6 Å²	83.6	95%	0.949	44%	0.441	S	S	*	.			trans	-65.8	17	174	-65.4	-177.5	-16.4	0	0	113.3	Q202	Q202-Q204 PolarHBondContact O-N 3.4Å
205	T	51.8	Low	51.2	Low	93 Å²	93	84.6 Å²	84.6	57%	0.571	45%	0.447	S	S	*	.	S	Bend	trans	-96.2	151.5	-178.3	59.5	0	0	0	0	110.1	Q203	Q203-T205 WeakPolarHBondContact CB-OG1 3.43Å; Q203-T205 PolarHBondContact O-N 2.98Å
206	L	50.1	Low	50.7	Low	104 Å²	104	87 Å²	87	55%	0.545	47%	0.467	S	S	.	.			trans	-48.3	127.7	176.8	-65.7	174.3	0	0	0	111	A208 I224	L206-A208 PolarHBondContact O-N 3.27Å; L206-A208 VanDerWaalsContact O-N 3.11Å; L206-I224 HydrophobicContact CB-CG2 3.72Å; L206-I224 HydrophobicContact CD1-CG2 4.03Å
207	P	59.8	Low	50.1	Low	13 Å²	13	91 Å²	91	8%	0.084	49%	0.491	C	S	.	.			trans	-65.9	114.2	-179.2	22.3	-30	0	0	0	110.2	L200 F225 I231	L200-P207 HydrophobicContact CD1-CB 4.23Å; L200-P207 HydrophobicContact CD2-CB 4.22Å; P207-F225 VanDerWaalsContact CD-O 3.3Å; P207-F225 WeakPolarHBondContact CD-O 3.43Å; P207-F225 HydrophobicContact CG-CB 4.22Å; P207-F225 VanDerWaalsContact O-CB 3.28Å; P207-F225 WeakPolarHBondContact O-CB 3.4Å; P207-F225 WeakPolarHBondContact O-CD2 3.48Å; P207-F225 PolarHBondContact O-N 3.38Å; P207-I231 HydrophobicContact CB-CB 4.3Å; P207-I231 HydrophobicContact CB-CD1 3.88Å; P207-I231 HydrophobicContact CB-CG2 3.93Å; P207-I231 HydrophobicContact CG-CG2 4.14Å
208	A	55.4	Low	49.4	Very low	32 Å²	32	92.1 Å²	92.1	26%	0.264	51%	0.511	S	S	.	.	B	Isolated β-bridge	trans	-91.7	138.7	171.7	0	0	0	0	0	110.1	L206 I224 I231	L206-A208 PolarHBondContact O-N 3.27Å; L206-A208 VanDerWaalsContact O-N 3.11Å; A208-I224 HydrophobicContact CB-CG1 4.41Å; A208-I231 WeakPolarHBondContact O-CD1 3.3Å
209	C	57.3	Low	49	Very low	4 Å²	4	88.4 Å²	88.4	3%	0.027	51%	0.511	C	S	.	.			trans	-67.6	135.9	160.7	-175	0	0	0	0	107.9	W211 C221 R223 F225 H234 H239	C209-W211 WeakPolarHBondContact SG-CB 3.49Å; C209-W211 PolarHBondContact SG-N 2.8Å; C209-W211 VanDerWaalsContact SG-N 3.39Å; C209-C221 CarbonylContact C-O 3.32Å; C209-C221 HydrophobicContact CB-CB 4.44Å; C209-R223 PolarHBondContact N-O 3.25Å; C209-F225 HydrophobicContact CB-CD2 4.45Å; C209-F225 HydrophobicContact CB-CE2 3.66Å; C209-H234 VanDerWaalsContact CB-NE2 3.33Å; C209-H234 WeakPolarHBondContact CB-NE2 3.22Å; C209-H234 PolarHBondContact SG-NE2 3.16Å; C209-H239 PolarHBondContact SG-NE2 2.59Å; C209-H239 VanDerWaalsContact SG-NE2 3.38Å
210	M	52.4	Low	48.5	Very low	117 Å²	117	86.1 Å²	86.1	58%	0.576	51%	0.512	S	S	*	.			trans	-125.6	30.1	175.1	-64.2	-179.5	65.8	0	0	109.5	F196 T212	F196-M210 HydrophobicContact CE2-SD 4.44Å; M210-T212 PolarHBondContact O-N 3.16Å; M210-T212 VanDerWaalsContact O-N 3.08Å
211	W	51.9	Low	48.3	Very low	30 Å²	30	86.4 Å²	86.4	11%	0.114	52%	0.515	C	S	.	.			trans	-69.7	110.6	-175.1	-165.9	-83.7	0	0	0	109.9	C209 E213 C221 L235 H239 Y247	C209-W211 WeakPolarHBondContact SG-CB 3.49Å; C209-W211 PolarHBondContact SG-N 2.8Å; C209-W211 VanDerWaalsContact SG-N 3.39Å; W211-E213 VanDerWaalsContact NE1-CG 3.32Å; W211-E213 PolarHBondContact NE1-OE1 3.13Å; W211-C221 HydrophobicContact CB-CB 4.31Å; W211-C221 PolarHBondContact O-N 3.29Å; W211-C221 VanDerWaalsContact O-N 3.09Å; W211-L235 HydrophobicContact CE3-CD2 3.52Å; W211-L235 HydrophobicContact CZ3-CD2 3.86Å; W211-H239 WeakPolarHBondContact CB-NE2 3.12Å; W211-H239 AromaticContact CD1-CE1 3.52Å; W211-H239 AromaticContact CD1-CG 3.68Å; W211-H239 AromaticContact CD1-ND1 3.11Å; W211-H239 HydrophobicContact CD2-CB 3.59Å; W211-H239 AromaticContact CD2-CD2 3.97Å; W211-H239 AromaticContact CD2-CG 3.46Å; W211-H239 VanDerWaalsContact CD2-CG 3.46Å; W211-H239 AromaticContact CD2-ND1 3.76Å; W211-H239 VanDerWaalsContact CE2-CB 3.49Å; W211-H239 AromaticContact CE2-CG 3.71Å; W211-H239 AromaticContact CE2-ND1 3.83Å; W211-H239 HydrophobicContact CE3-CB 3.83Å; W211-H239 AromaticContact CE3-CG 3.95Å; W211-H239 HydrophobicContact CG-CB 4.14Å; W211-H239 AromaticContact CG-CD2 3.79Å; W211-H239 AromaticContact CG-CE1 3.56Å; W211-H239 AromaticContact CG-CG 3.47Å; W211-H239 VanDerWaalsContact CG-CG 3.47Å; W211-H239 AromaticContact CG-ND1 3.32Å; W211-H239 VanDerWaalsContact CG-ND1 3.32Å; W211-H239 AromaticContact CG-NE2 3.84Å; W211-H239 HydrophobicContact CH2-CB 3.84Å; W211-H239 HydrophobicContact CZ2-CB 3.64Å; W211-H239 WeakPolarHBondContact CZ2-O 3.37Å; W211-H239 HydrophobicContact CZ3-CB 3.95Å; W211-H239 AromaticContact NE1-CG 3.77Å; W211-H239 AromaticContact NE1-ND1 3.38Å; W211-H239 PolarHBondContact NE1-ND1 3.47Å; W211-Y247 AromaticContact CH2-CD1 3.81Å; W211-Y247 HydrophobicContact CH2-CD1 3.81Å; W211-Y247 AromaticContact CH2-CD2 3.44Å; W211-Y247 HydrophobicContact CH2-CD2 3.44Å; W211-Y247 VanDerWaalsContact CH2-CD2 3.44Å; W211-Y247 AromaticContact CH2-CE1 3.59Å; W211-Y247 HydrophobicContact CH2-CE1 3.59Å; W211-Y247 AromaticContact CH2-CE2 3.18Å; W211-Y247 HydrophobicContact CH2-CE2 3.18Å; W211-Y247 AromaticContact CH2-CG 3.73Å; W211-Y247 HydrophobicContact CH2-CG 3.73Å; W211-Y247 AromaticContact CH2-CZ 3.25Å; W211-Y247 AromaticContact CZ2-CD2 3.81Å; W211-Y247 HydrophobicContact CZ2-CD2 3.81Å; W211-Y247 HydrophobicContact CZ2-CE1 4.42Å; W211-Y247 AromaticContact CZ2-CE2 3.29Å; W211-Y247 HydrophobicContact CZ2-CE2 3.29Å; W211-Y247 AromaticContact CZ2-CZ 3.64Å; W211-Y247 HydrophobicContact CZ3-CD1 4.07Å; W211-Y247 HydrophobicContact CZ3-CD2 4.44Å; W211-Y247 AromaticContact CZ3-CE1 3.64Å; W211-Y247 HydrophobicContact CZ3-CE1 3.64Å; W211-Y247 HydrophobicContact CZ3-CE2 4.04Å; W211-Y247 HydrophobicContact CZ3-CG 4.43Å; W211-Y247 AromaticContact CZ3-CZ 3.61Å
212	T	49.7	Very low	48.5	Very low	101 Å²	101	85.8 Å²	85.8	62%	0.62	52%	0.515	S	S	*	.	B	Isolated β-bridge	trans	-101	95.8	167.9	58.4	0	0	0	0	106.7	M210	M210-T212 PolarHBondContact O-N 3.16Å; M210-T212 VanDerWaalsContact O-N 3.08Å
213	E	43.5	Very low	48.5	Very low	77 Å²	77	84.2 Å²	84.2	36%	0.36	50%	0.502	S	S	.	.			trans	-71	142.3	173.2	-133.4	160.8	-113.9	0	0	108.5	W211 A215 H239	W211-E213 VanDerWaalsContact NE1-CG 3.32Å; W211-E213 PolarHBondContact NE1-OE1 3.13Å; E213-A215 PolarHBondContact O-N 3.18Å; E213-H239 IonicContact OE1-ND1 3.9Å
214	G	43.7	Very low	48.6	Very low	88 Å²	88	86.3 Å²	86.3	91%	0.907	51%	0.514	S	S	*	.			trans	-65.4	35.6	-179.8	0	0	0	0	0	114.8
215	A	34.4	Very low	49.3	Very low	47 Å²	47	77.7 Å²	77.7	39%	0.388	47%	0.474	S	S	.	.			trans	-73.3	131	171	0	0	0	0	0	108.5	E213 N217 G218	E213-A215 PolarHBondContact O-N 3.18Å; A215-N217 HydrophobicContact CB-CB 4.12Å; A215-N217 PolarHBondContact O-N 3.34Å; A215-G218 PolarHBondContact O-N 3.47Å
216	A	39.7	Very low	49.4	Very low	109 Å²	109	78.5 Å²	78.5	90%	0.901	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	11.1	160.6	0	0	0	0	0	113.5
217	N	38.5	Very low	49.7	Very low	141 Å²	141	76.5 Å²	76.5	75%	0.754	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	0.8	-167.4	-42.7	29	0	0	0	111.9	A215 S219	A215-N217 HydrophobicContact CB-CB 4.12Å; A215-N217 PolarHBondContact O-N 3.34Å; N217-S219 PolarHBondContact O-N 2.82Å; N217-S219 VanDerWaalsContact O-N 3.11Å
218	G	37	Very low	49.6	Very low	60 Å²	60	79 Å²	79	62%	0.619	48%	0.482	S	S	*	.			trans	60.9	26.3	153.3	0	0	0	0	0	119.6	A215 C220	A215-G218 PolarHBondContact O-N 3.47Å; G218-C220 PolarHBondContact O-N 3.41Å
219	S	44.2	Very low	49.7	Very low	93 Å²	93	80.5 Å²	80.5	65%	0.65	48%	0.483	S	S	*	.			trans	-82.4	103.4	172.8	61.6	0	0	0	0	110.8	N217	N217-S219 PolarHBondContact O-N 2.82Å; N217-S219 VanDerWaalsContact O-N 3.11Å
220	C	43.3	Very low	49.9	Very low	70 Å²	70	82.8 Å²	82.8	47%	0.473	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-71.8	136.5	169.5	-61.5	0	0	0	0	109.5	G218 E222	G218-C220 PolarHBondContact O-N 3.41Å; C220-E222 HydrophobicContact CB-CG 4.18Å; C220-E222 PolarHBondContact O-N 2.75Å
221	C	50.4	Low	50.3	Low	22 Å²	22	77.2 Å²	77.2	15%	0.149	47%	0.468	C	S	.	.			trans	-81.9	109.6	165.1	-169.3	0	0	0	0	109.2	C209 W211 H234 H239	C209-C221 CarbonylContact C-O 3.32Å; C209-C221 HydrophobicContact CB-CB 4.44Å; W211-C221 HydrophobicContact CB-CB 4.31Å; W211-C221 PolarHBondContact O-N 3.29Å; W211-C221 VanDerWaalsContact O-N 3.09Å; C221-H234 PolarHBondContact SG-CE1 3.05Å; C221-H234 PolarHBondContact SG-NE2 3.07Å; C221-H239 VanDerWaalsContact CB-CE1 3.47Å; C221-H239 WeakPolarHBondContact CB-CE1 3.12Å; C221-H239 VanDerWaalsContact CB-NE2 3.28Å; C221-H239 WeakPolarHBondContact CB-NE2 3.35Å
222	E	56.5	Low	50.8	Low	164 Å²	164	76.5 Å²	76.5	77%	0.766	47%	0.466	S	S	*	.			trans	-102.1	26.9	179.9	-63.4	-177.5	173.9	0	0	112.2	C220 I224	C220-E222 HydrophobicContact CB-CG 4.18Å; C220-E222 PolarHBondContact O-N 2.75Å; E222-I224 PolarHBondContact O-N 2.88Å
223	R	57	Low	51.4	Low	125 Å²	125	73.9 Å²	73.9	47%	0.472	45%	0.452	S	S	.	.			trans	-71.2	126	179.4	-76.8	-176.3	171.9	148.1	-3.7	110.5	C209 F225 E238	C209-R223 PolarHBondContact N-O 3.25Å; R223-F225 HydrophobicContact CB-CE1 4.38Å; R223-F225 HydrophobicContact CB-CE2 3.61Å; R223-F225 HydrophobicContact CB-CZ 3.46Å; R223-F225 VanDerWaalsContact CB-CZ 3.46Å; R223-F225 HydrophobicContact CG-CZ 4.43Å; R223-F225 WeakPolarHBondContact O-CD2 3.18Å; R223-F225 WeakPolarHBondContact O-CE2 3.38Å; R223-E238 IonicContact CZ-OE2 3.78Å; R223-E238 VanDerWaalsContact NH1-CD 3.3Å; R223-E238 IonicContact NH1-OE2 2.75Å; R223-E238 PolarHBondContact NH1-OE2 2.84Å; R223-E238 IonicContact NH2-OE2 3.94Å
224	I	54.7	Low	52.5	Low	119 Å²	119	70.7 Å²	70.7	61%	0.61	44%	0.437	S	S	*	.	B	Isolated β-bridge	trans	-92.6	131.9	172	-56.6	172	0	0	0	108.2	L206 A208 E222	L206-I224 HydrophobicContact CB-CG2 3.72Å; L206-I224 HydrophobicContact CD1-CG2 4.03Å; A208-I224 HydrophobicContact CB-CG1 4.41Å; E222-I224 PolarHBondContact O-N 2.88Å
225	F	63.5	Low	53.5	Low	22 Å²	22	67.6 Å²	67.6	10%	0.096	40%	0.4	C	S	.	.			trans	-108	140.1	-179.6	-64.3	-77.1	0	0	0	110.9	P207 C209 R223 D230 I231 H234	P207-F225 VanDerWaalsContact CD-O 3.3Å; P207-F225 WeakPolarHBondContact CD-O 3.43Å; P207-F225 HydrophobicContact CG-CB 4.22Å; P207-F225 VanDerWaalsContact O-CB 3.28Å; P207-F225 WeakPolarHBondContact O-CB 3.4Å; P207-F225 WeakPolarHBondContact O-CD2 3.48Å; P207-F225 PolarHBondContact O-N 3.38Å; C209-F225 HydrophobicContact CB-CD2 4.45Å; C209-F225 HydrophobicContact CB-CE2 3.66Å; R223-F225 HydrophobicContact CB-CE1 4.38Å; R223-F225 HydrophobicContact CB-CE2 3.61Å; R223-F225 HydrophobicContact CB-CZ 3.46Å; R223-F225 VanDerWaalsContact CB-CZ 3.46Å; R223-F225 HydrophobicContact CG-CZ 4.43Å; R223-F225 WeakPolarHBondContact O-CD2 3.18Å; R223-F225 WeakPolarHBondContact O-CE2 3.38Å; F225-D230 HydrophobicContact CB-CB 4Å; F225-D230 HydrophobicContact CD1-CB 3.37Å; F225-D230 HydrophobicContact CE1-CB 4.27Å; F225-D230 HydrophobicContact CG-CB 4.05Å; F225-I231 HydrophobicContact CB-CB 3.89Å; F225-I231 HydrophobicContact CD2-CB 3.49Å; F225-I231 VanDerWaalsContact CD2-CB 3.49Å; F225-I231 HydrophobicContact CD2-CD1 4.17Å; F225-I231 HydrophobicContact CD2-CG1 3.68Å; F225-I231 HydrophobicContact CE2-CB 4.26Å; F225-I231 HydrophobicContact CE2-CG1 4.13Å; F225-I231 HydrophobicContact CG-CB 3.66Å; F225-I231 HydrophobicContact CG-CG1 4.37Å; F225-H234 HydrophobicContact CD1-CB 4.38Å; F225-H234 HydrophobicContact CE1-CB 3.39Å; F225-H234 AromaticContact CE1-CG 3.75Å; F225-H234 HydrophobicContact CE2-CB 4.05Å; F225-H234 AromaticContact CE2-CD2 3.38Å; F225-H234 WeakPolarHBondContact CE2-CD2 3.48Å; F225-H234 AromaticContact CE2-CG 3.75Å; F225-H234 AromaticContact CE2-NE2 3.99Å; F225-H234 HydrophobicContact CZ-CB 3.22Å; F225-H234 AromaticContact CZ-CD2 3.18Å; F225-H234 WeakPolarHBondContact CZ-CD2 3.17Å; F225-H234 AromaticContact CZ-CG 3.03Å; F225-H234 AromaticContact CZ-ND1 3.62Å; F225-H234 AromaticContact CZ-NE2 3.81Å
226	T	53.9	Low	54.5	Low	110 Å²	110	67 Å²	67	68%	0.675	39%	0.392	S	S	*	.	S	Bend	trans	-79.2	-24.8	177.9	53	0	0	0	0	111.7	D230	T226-D230 PolarHBondContact OG1-OD2 2.82Å
227	T	56.7	Low	55.4	Low	62 Å²	62	66.2 Å²	66.2	38%	0.38	38%	0.375	S	S	.	.	S	Bend	trans	-133.4	156.3	177.1	77.9	0	0	0	0	112.6	F229 D230 I231	T227-F229 PolarHBondContact O-N 3.12Å; T227-F229 WeakPolarHBondContact OG1-CB 3.42Å; T227-F229 PolarHBondContact OG1-N 3.06Å; T227-D230 WeakPolarHBondContact CB-OD2 3.18Å; T227-D230 PolarHBondContact N-OD2 2.86Å; T227-D230 VanDerWaalsContact N-OD2 3.16Å; T227-D230 PolarHBondContact O-N 3.26Å; T227-D230 VanDerWaalsContact O-N 3.13Å; T227-D230 PolarHBondContact OG1-N 3.23Å; T227-D230 VanDerWaalsContact OG1-N 3.16Å; T227-D230 PolarHBondContact OG1-OD2 3.22Å; T227-I231 PolarHBondContact O-N 2.93Å
228	M	57.6	Low	56.4	Low	67 Å²	67	64.5 Å²	64.5	33%	0.33	36%	0.363	S	S	.	.	H	α-helix	trans	-57.9	-26.3	169.9	-171.5	64.7	64.1	0	0	112.1	L197 L200 I231 V232	L197-M228 HydrophobicContact CD2-SD 4.23Å; L200-M228 HydrophobicContact CB-CE 4.12Å; M228-I231 WeakPolarHBondContact O-CG2 3.31Å; M228-I231 HydrophobicContact SD-CG2 4.04Å; M228-V232 WeakPolarHBondContact O-CB 3.3Å; M228-V232 WeakPolarHBondContact O-CG2 3.18Å; M228-V232 PolarHBondContact O-N 3.21Å
229	F	59	Low	57.4	Low	62 Å²	62	62.6 Å²	62.6	27%	0.272	34%	0.338	S	S	.	.	H	α-helix	trans	-69.9	-43.5	176.6	174.8	-97.7	0	0	0	111.2	T227 I231 V232 S233 I272 T276	T227-F229 PolarHBondContact O-N 3.12Å; T227-F229 WeakPolarHBondContact OG1-CB 3.42Å; T227-F229 PolarHBondContact OG1-N 3.06Å; F229-I231 PolarHBondContact O-N 3.2Å; F229-V232 PolarHBondContact O-N 3.13Å; F229-S233 VanDerWaalsContact O-CB 3.31Å; F229-S233 WeakPolarHBondContact O-CB 3.33Å; F229-S233 PolarHBondContact O-N 3.35Å; F229-I272 HydrophobicContact CD2-CG2 3.8Å; F229-I272 HydrophobicContact CE2-CG2 4.12Å; F229-T276 HydrophobicContact CB-CG2 4.09Å; F229-T276 HydrophobicContact CD2-CG2 3.78Å; F229-T276 HydrophobicContact CE2-CG2 4.43Å; F229-T276 HydrophobicContact CG-CG2 4Å
230	D	60.7	Low	57.8	Low	52 Å²	52	60.9 Å²	60.9	28%	0.278	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-38.8	-175.7	-50.4	-50.3	0	0	0	111.1	F225 T226 T227 S233 H234	F225-D230 HydrophobicContact CB-CB 4Å; F225-D230 HydrophobicContact CD1-CB 3.37Å; F225-D230 HydrophobicContact CE1-CB 4.27Å; F225-D230 HydrophobicContact CG-CB 4.05Å; T226-D230 PolarHBondContact OG1-OD2 2.82Å; T227-D230 WeakPolarHBondContact CB-OD2 3.18Å; T227-D230 PolarHBondContact N-OD2 2.86Å; T227-D230 VanDerWaalsContact N-OD2 3.16Å; T227-D230 PolarHBondContact O-N 3.26Å; T227-D230 VanDerWaalsContact O-N 3.13Å; T227-D230 PolarHBondContact OG1-N 3.23Å; T227-D230 VanDerWaalsContact OG1-N 3.16Å; T227-D230 PolarHBondContact OG1-OD2 3.22Å; D230-S233 PolarHBondContact O-N 3.36Å; D230-H234 WeakPolarHBondContact O-CB 3.49Å; D230-H234 PolarHBondContact O-N 3.14Å
231	I	60.9	Low	57.7	Low	1 Å²	1	60.9 Å²	60.9	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-65.3	-41.6	173.3	-169.7	168.9	0	0	0	111.3	F196 L200 P207 A208 F225 T227 M228 F229 H234 L235	F196-I231 HydrophobicContact CE1-CD1 4.43Å; L200-I231 HydrophobicContact CD1-CD1 3.85Å; P207-I231 HydrophobicContact CB-CB 4.3Å; P207-I231 HydrophobicContact CB-CD1 3.88Å; P207-I231 HydrophobicContact CB-CG2 3.93Å; P207-I231 HydrophobicContact CG-CG2 4.14Å; A208-I231 WeakPolarHBondContact O-CD1 3.3Å; F225-I231 HydrophobicContact CB-CB 3.89Å; F225-I231 HydrophobicContact CD2-CB 3.49Å; F225-I231 VanDerWaalsContact CD2-CB 3.49Å; F225-I231 HydrophobicContact CD2-CD1 4.17Å; F225-I231 HydrophobicContact CD2-CG1 3.68Å; F225-I231 HydrophobicContact CE2-CB 4.26Å; F225-I231 HydrophobicContact CE2-CG1 4.13Å; F225-I231 HydrophobicContact CG-CB 3.66Å; F225-I231 HydrophobicContact CG-CG1 4.37Å; T227-I231 PolarHBondContact O-N 2.93Å; M228-I231 WeakPolarHBondContact O-CG2 3.31Å; M228-I231 HydrophobicContact SD-CG2 4.04Å; F229-I231 PolarHBondContact O-N 3.2Å; I231-H234 PolarHBondContact O-N 2.99Å; I231-L235 HydrophobicContact CG1-CD1 3.95Å; I231-L235 HydrophobicContact CG1-CG 4.19Å; I231-L235 WeakPolarHBondContact O-CB 3.49Å; I231-L235 WeakPolarHBondContact O-CD1 3.35Å; I231-L235 WeakPolarHBondContact O-CG 3.31Å; I231-L235 PolarHBondContact O-N 3.04Å
232	V	62.6	Low	57.3	Low	14 Å²	14	63.7 Å²	63.7	9%	0.085	35%	0.351	C	S	.	.	H	α-helix	trans	-65.4	-42.6	177.4	170.6	0	0	0	0	110.8	M228 F229 L235 T236 F251	M228-V232 WeakPolarHBondContact O-CB 3.3Å; M228-V232 WeakPolarHBondContact O-CG2 3.18Å; M228-V232 PolarHBondContact O-N 3.21Å; F229-V232 PolarHBondContact O-N 3.13Å; V232-L235 PolarHBondContact O-N 3.49Å; V232-T236 WeakPolarHBondContact O-CB 3.38Å; V232-T236 WeakPolarHBondContact O-CG2 3.33Å; V232-T236 PolarHBondContact O-N 3.27Å; V232-T236 PolarHBondContact O-OG1 2.84Å; V232-T236 VanDerWaalsContact O-OG1 3.13Å; V232-F251 HydrophobicContact CG1-CZ 4.31Å; V232-F251 HydrophobicContact CG2-CZ 4.41Å
233	S	62.8	Low	56.5	Low	46 Å²	46	65.4 Å²	65.4	32%	0.322	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-50	176.2	-171.9	0	0	0	0	110.7	F229 D230 T236 V237	F229-S233 VanDerWaalsContact O-CB 3.31Å; F229-S233 WeakPolarHBondContact O-CB 3.33Å; F229-S233 PolarHBondContact O-N 3.35Å; D230-S233 PolarHBondContact O-N 3.36Å; S233-T236 WeakPolarHBondContact CA-OG1 3.47Å; S233-T236 CarbonylContact O-C 3.54Å; S233-T236 WeakPolarHBondContact O-CA 3.32Å; S233-T236 PolarHBondContact O-N 3.16Å; S233-T236 PolarHBondContact O-OG1 3.44Å; S233-V237 WeakPolarHBondContact O-CG2 3.2Å; S233-V237 PolarHBondContact O-N 3.46Å
234	H	65.9	Low	55.6	Low	11 Å²	11	65.5 Å²	65.5	5%	0.051	37%	0.369	C	S	.	.	H	α-helix	trans	-57.4	-50.7	176.1	163.9	70.5	0	0	0	112.6	C209 C221 F225 D230 I231 T236 V237 E238 H239	C209-H234 VanDerWaalsContact CB-NE2 3.33Å; C209-H234 WeakPolarHBondContact CB-NE2 3.22Å; C209-H234 PolarHBondContact SG-NE2 3.16Å; C221-H234 PolarHBondContact SG-CE1 3.05Å; C221-H234 PolarHBondContact SG-NE2 3.07Å; F225-H234 HydrophobicContact CD1-CB 4.38Å; F225-H234 HydrophobicContact CE1-CB 3.39Å; F225-H234 AromaticContact CE1-CG 3.75Å; F225-H234 HydrophobicContact CE2-CB 4.05Å; F225-H234 AromaticContact CE2-CD2 3.38Å; F225-H234 WeakPolarHBondContact CE2-CD2 3.48Å; F225-H234 AromaticContact CE2-CG 3.75Å; F225-H234 AromaticContact CE2-NE2 3.99Å; F225-H234 HydrophobicContact CZ-CB 3.22Å; F225-H234 AromaticContact CZ-CD2 3.18Å; F225-H234 WeakPolarHBondContact CZ-CD2 3.17Å; F225-H234 AromaticContact CZ-CG 3.03Å; F225-H234 AromaticContact CZ-ND1 3.62Å; F225-H234 AromaticContact CZ-NE2 3.81Å; D230-H234 WeakPolarHBondContact O-CB 3.49Å; D230-H234 PolarHBondContact O-N 3.14Å; I231-H234 PolarHBondContact O-N 2.99Å; H234-T236 PolarHBondContact O-N 2.78Å; H234-V237 PolarHBondContact O-N 2.7Å; H234-V237 VanDerWaalsContact O-N 3.13Å; H234-E238 VanDerWaalsContact ND1-CG 3.35Å; H234-E238 WeakPolarHBondContact ND1-CG 3.46Å; H234-E238 WeakPolarHBondContact O-CB 3.48Å; H234-E238 PolarHBondContact O-N 3Å; H234-H239 AromaticContact CD2-CD2 3.87Å; H234-H239 AromaticContact CE1-CD2 3.65Å; H234-H239 AromaticContact CE1-NE2 3.27Å; H234-H239 PolarHBondContact CE1-NE2 3.08Å; H234-H239 VanDerWaalsContact CE1-NE2 3.27Å; H234-H239 AromaticContact NE2-CD2 3.25Å; H234-H239 PolarHBondContact NE2-CD2 3.13Å; H234-H239 VanDerWaalsContact NE2-CD2 3.25Å; H234-H239 AromaticContact NE2-NE2 2.98Å; H234-H239 PolarHBondContact NE2-NE2 2.95Å
235	L	63.9	Low	55	Low	22 Å²	22	65.7 Å²	65.7	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-56.3	-36.7	175.2	-70.4	168.9	0	0	0	110.8	W211 I231 V232 V240	W211-L235 HydrophobicContact CE3-CD2 3.52Å; W211-L235 HydrophobicContact CZ3-CD2 3.86Å; I231-L235 HydrophobicContact CG1-CD1 3.95Å; I231-L235 HydrophobicContact CG1-CG 4.19Å; I231-L235 WeakPolarHBondContact O-CB 3.49Å; I231-L235 WeakPolarHBondContact O-CD1 3.35Å; I231-L235 WeakPolarHBondContact O-CG 3.31Å; I231-L235 PolarHBondContact O-N 3.04Å; V232-L235 PolarHBondContact O-N 3.49Å; L235-V240 WeakPolarHBondContact O-CG2 3.01Å; L235-V240 PolarHBondContact O-N 3.2Å
236	T	57	Low	54.1	Low	36 Å²	36	68.6 Å²	68.6	22%	0.221	40%	0.404	C	S	.	.	H	α-helix	trans	-80.4	-14.6	179.8	60.1	0	0	0	0	116.3	V232 S233 H234 V240	V232-T236 WeakPolarHBondContact O-CB 3.38Å; V232-T236 WeakPolarHBondContact O-CG2 3.33Å; V232-T236 PolarHBondContact O-N 3.27Å; V232-T236 PolarHBondContact O-OG1 2.84Å; V232-T236 VanDerWaalsContact O-OG1 3.13Å; S233-T236 WeakPolarHBondContact CA-OG1 3.47Å; S233-T236 CarbonylContact O-C 3.54Å; S233-T236 WeakPolarHBondContact O-CA 3.32Å; S233-T236 PolarHBondContact O-N 3.16Å; S233-T236 PolarHBondContact O-OG1 3.44Å; H234-T236 PolarHBondContact O-N 2.78Å; T236-V240 WeakPolarHBondContact O-CB 3.4Å
237	V	58	Low	53.4	Low	92 Å²	92	68.7 Å²	68.7	56%	0.558	39%	0.393	S	S	*	.	H	α-helix	trans	-109.8	-46.8	-176.4	173.7	0	0	0	0	111.2	S233 H234	S233-V237 WeakPolarHBondContact O-CG2 3.2Å; S233-V237 PolarHBondContact O-N 3.46Å; H234-V237 PolarHBondContact O-N 2.7Å; H234-V237 VanDerWaalsContact O-N 3.13Å
238	E	58.8	Low	52.8	Low	105 Å²	105	68.2 Å²	68.2	49%	0.491	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-27.2	-169	-58.8	-79.1	131	0	0	112.5	R223 H234	R223-E238 IonicContact CZ-OE2 3.78Å; R223-E238 VanDerWaalsContact NH1-CD 3.3Å; R223-E238 IonicContact NH1-OE2 2.75Å; R223-E238 PolarHBondContact NH1-OE2 2.84Å; R223-E238 IonicContact NH2-OE2 3.94Å; H234-E238 VanDerWaalsContact ND1-CG 3.35Å; H234-E238 WeakPolarHBondContact ND1-CG 3.46Å; H234-E238 WeakPolarHBondContact O-CB 3.48Å; H234-E238 PolarHBondContact O-N 3Å
239	H	57.8	Low	52	Low	20 Å²	20	67.8 Å²	67.8	9%	0.093	39%	0.394	C	S	.	.	S	Bend	trans	-112.1	-3.3	-176.3	-68.2	-48.2	0	0	0	113.4	C209 W211 E213 C221 H234	C209-H239 PolarHBondContact SG-NE2 2.59Å; C209-H239 VanDerWaalsContact SG-NE2 3.38Å; W211-H239 WeakPolarHBondContact CB-NE2 3.12Å; W211-H239 AromaticContact CD1-CE1 3.52Å; W211-H239 AromaticContact CD1-CG 3.68Å; W211-H239 AromaticContact CD1-ND1 3.11Å; W211-H239 HydrophobicContact CD2-CB 3.59Å; W211-H239 AromaticContact CD2-CD2 3.97Å; W211-H239 AromaticContact CD2-CG 3.46Å; W211-H239 VanDerWaalsContact CD2-CG 3.46Å; W211-H239 AromaticContact CD2-ND1 3.76Å; W211-H239 VanDerWaalsContact CE2-CB 3.49Å; W211-H239 AromaticContact CE2-CG 3.71Å; W211-H239 AromaticContact CE2-ND1 3.83Å; W211-H239 HydrophobicContact CE3-CB 3.83Å; W211-H239 AromaticContact CE3-CG 3.95Å; W211-H239 HydrophobicContact CG-CB 4.14Å; W211-H239 AromaticContact CG-CD2 3.79Å; W211-H239 AromaticContact CG-CE1 3.56Å; W211-H239 AromaticContact CG-CG 3.47Å; W211-H239 VanDerWaalsContact CG-CG 3.47Å; W211-H239 AromaticContact CG-ND1 3.32Å; W211-H239 VanDerWaalsContact CG-ND1 3.32Å; W211-H239 AromaticContact CG-NE2 3.84Å; W211-H239 HydrophobicContact CH2-CB 3.84Å; W211-H239 HydrophobicContact CZ2-CB 3.64Å; W211-H239 WeakPolarHBondContact CZ2-O 3.37Å; W211-H239 HydrophobicContact CZ3-CB 3.95Å; W211-H239 AromaticContact NE1-CG 3.77Å; W211-H239 AromaticContact NE1-ND1 3.38Å; W211-H239 PolarHBondContact NE1-ND1 3.47Å; E213-H239 IonicContact OE1-ND1 3.9Å; C221-H239 VanDerWaalsContact CB-CE1 3.47Å; C221-H239 WeakPolarHBondContact CB-CE1 3.12Å; C221-H239 VanDerWaalsContact CB-NE2 3.28Å; C221-H239 WeakPolarHBondContact CB-NE2 3.35Å; H234-H239 AromaticContact CD2-CD2 3.87Å; H234-H239 AromaticContact CE1-CD2 3.65Å; H234-H239 AromaticContact CE1-NE2 3.27Å; H234-H239 PolarHBondContact CE1-NE2 3.08Å; H234-H239 VanDerWaalsContact CE1-NE2 3.27Å; H234-H239 AromaticContact NE2-CD2 3.25Å; H234-H239 PolarHBondContact NE2-CD2 3.13Å; H234-H239 VanDerWaalsContact NE2-CD2 3.25Å; H234-H239 AromaticContact NE2-NE2 2.98Å; H234-H239 PolarHBondContact NE2-NE2 2.95Å
240	V	52.3	Low	51.2	Low	57 Å²	57	67.4 Å²	67.4	35%	0.345	40%	0.398	S	S	.	.			trans	-110	68.7	175.2	173.3	0	0	0	0	106.8	L235 T236 W252	L235-V240 WeakPolarHBondContact O-CG2 3.01Å; L235-V240 PolarHBondContact O-N 3.2Å; T236-V240 WeakPolarHBondContact O-CB 3.4Å; V240-W252 HydrophobicContact CG1-CH2 4.37Å; V240-W252 HydrophobicContact CG1-CZ2 3.94Å; V240-W252 HydrophobicContact CG2-CZ2 4.37Å
241	G	42.6	Very low	50.5	Low	69 Å²	69	67.1 Å²	67.1	71%	0.711	39%	0.394	S	S	*	.			trans	-135	-7.6	179.5	0	0	0	0	0	114.2
242	T	41.3	Very low	50	Low	81 Å²	81	71.2 Å²	71.2	50%	0.497	41%	0.41	S	S	.	.	S	Bend	trans	-107.1	137.3	178.6	57.3	0	0	0	0	109.4	D244	T242-D244 PolarHBondContact O-N 3.47Å
243	Q	40.6	Very low	49.5	Very low	201 Å²	201	75.6 Å²	75.6	94%	0.939	43%	0.428	S	S	*	.	S	Bend	trans	-65.6	11.7	-179	-69.4	173.7	-27.8	0	0	113.4	S245	Q243-S245 PolarHBondContact O-N 2.87Å
244	D	36.6	Very low	49.1	Very low	126 Å²	126	77.3 Å²	77.3	67%	0.674	43%	0.433	S	S	*	.			trans	-86.8	97.9	178.6	-78.1	-39.9	0	0	0	111.1	T242 S246	T242-D244 PolarHBondContact O-N 3.47Å; D244-S246 PolarHBondContact O-N 3.49Å
245	S	42.4	Very low	48.8	Very low	123 Å²	123	77.2 Å²	77.2	86%	0.86	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	23.2	-179.7	71.4	0	0	0	0	117.2	Q243	Q243-S245 PolarHBondContact O-N 2.87Å
246	S	44.2	Very low	48.3	Very low	83 Å²	83	79.4 Å²	79.4	58%	0.58	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-16.5	-173.6	57.1	0	0	0	0	114.2	D244 H248	D244-S246 PolarHBondContact O-N 3.49Å; S246-H248 PolarHBondContact O-N 3.48Å; S246-H248 VanDerWaalsContact O-N 3.14Å
247	Y	40.4	Very low	48.1	Very low	113 Å²	113	85.7 Å²	85.7	44%	0.443	47%	0.469	S	S	.	.	S	Bend	trans	-85.9	90.1	172	-77.2	-85.4	0	0	0	111.5	W211 A249	W211-Y247 AromaticContact CH2-CD1 3.81Å; W211-Y247 HydrophobicContact CH2-CD1 3.81Å; W211-Y247 AromaticContact CH2-CD2 3.44Å; W211-Y247 HydrophobicContact CH2-CD2 3.44Å; W211-Y247 VanDerWaalsContact CH2-CD2 3.44Å; W211-Y247 AromaticContact CH2-CE1 3.59Å; W211-Y247 HydrophobicContact CH2-CE1 3.59Å; W211-Y247 AromaticContact CH2-CE2 3.18Å; W211-Y247 HydrophobicContact CH2-CE2 3.18Å; W211-Y247 AromaticContact CH2-CG 3.73Å; W211-Y247 HydrophobicContact CH2-CG 3.73Å; W211-Y247 AromaticContact CH2-CZ 3.25Å; W211-Y247 AromaticContact CZ2-CD2 3.81Å; W211-Y247 HydrophobicContact CZ2-CD2 3.81Å; W211-Y247 HydrophobicContact CZ2-CE1 4.42Å; W211-Y247 AromaticContact CZ2-CE2 3.29Å; W211-Y247 HydrophobicContact CZ2-CE2 3.29Å; W211-Y247 AromaticContact CZ2-CZ 3.64Å; W211-Y247 HydrophobicContact CZ3-CD1 4.07Å; W211-Y247 HydrophobicContact CZ3-CD2 4.44Å; W211-Y247 AromaticContact CZ3-CE1 3.64Å; W211-Y247 HydrophobicContact CZ3-CE1 3.64Å; W211-Y247 HydrophobicContact CZ3-CE2 4.04Å; W211-Y247 HydrophobicContact CZ3-CG 4.43Å; W211-Y247 AromaticContact CZ3-CZ 3.61Å; Y247-A249 PolarHBondContact O-N 2.92Å
248	H	43	Very low	47.8	Very low	51 Å²	51	83.5 Å²	83.5	24%	0.236	47%	0.465	C	S	.	.			trans	-13.7	117.4	174.5	-94.5	-86.7	0	0	0	117.4	H188 C191 S246 C250 F251	H188-H248 WeakPolarHBondContact CB-CE1 3.25Å; H188-H248 WeakPolarHBondContact CB-NE2 3.11Å; H188-H248 AromaticContact CD2-CD2 3.47Å; H188-H248 PolarHBondContact CD2-CD2 2.71Å; H188-H248 VanDerWaalsContact CD2-CD2 3.47Å; H188-H248 AromaticContact CD2-CE1 2.95Å; H188-H248 PolarHBondContact CD2-CE1 3.37Å; H188-H248 AromaticContact CD2-CG 3.55Å; H188-H248 AromaticContact CD2-ND1 3.2Å; H188-H248 PolarHBondContact CD2-ND1 3.11Å; H188-H248 AromaticContact CD2-NE2 3.08Å; H188-H248 PolarHBondContact CD2-NE2 3.47Å; H188-H248 AromaticContact CG-CE1 3.12Å; H188-H248 AromaticContact CG-ND1 3.74Å; H188-H248 AromaticContact CG-NE2 3.45Å; H188-H248 AromaticContact ND1-CE1 3.96Å; H188-H248 AromaticContact NE2-CE1 3.73Å; H188-H248 AromaticContact NE2-CG 3.94Å; H188-H248 AromaticContact NE2-ND1 3.53Å; C191-H248 WeakPolarHBondContact SG-CB 3.33Å; S246-H248 PolarHBondContact O-N 3.48Å; S246-H248 VanDerWaalsContact O-N 3.14Å; H248-C250 HydrophobicContact CB-CB 4.04Å; H248-C250 PolarHBondContact ND1-SG 3.21Å; H248-C250 PolarHBondContact O-N 3.17Å; H248-F251 WeakPolarHBondContact O-CB 3.48Å; H248-F251 PolarHBondContact O-N 3.24Å
249	A	41.9	Very low	48	Very low	59 Å²	59	81.2 Å²	81.2	49%	0.488	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-14.4	159.2	0	0	0	0	0	113.8	Y247 F251 K253	Y247-A249 PolarHBondContact O-N 2.92Å; A249-F251 VanDerWaalsContact C-N 3.33Å; A249-K253 VanDerWaalsContact O-CG 3.32Å; A249-K253 WeakPolarHBondContact O-CG 3.4Å
250	C	41.5	Very low	48	Very low	54 Å²	54	89 Å²	89	37%	0.365	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-30.9	170.8	-62.2	0	0	0	0	113.2	H248 K253 N254	H248-C250 HydrophobicContact CB-CB 4.04Å; H248-C250 PolarHBondContact ND1-SG 3.21Å; H248-C250 PolarHBondContact O-N 3.17Å; C250-K253 PolarHBondContact O-N 3.39Å; C250-N254 PolarHBondContact O-ND2 3.47Å
251	F	46.1	Very low	48.1	Very low	45 Å²	45	90.5 Å²	90.5	20%	0.197	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-67.9	-44	178.1	-176.3	-98.8	0	0	0	111.1	T193 L197 V232 H248 A249 K253 N254	T193-F251 HydrophobicContact CG2-CD2 3.9Å; T193-F251 HydrophobicContact CG2-CE2 4.28Å; L197-F251 HydrophobicContact CD1-CD2 4.07Å; L197-F251 HydrophobicContact CD1-CE2 3.54Å; L197-F251 HydrophobicContact CD2-CE2 4.49Å; L197-F251 HydrophobicContact CG-CE2 4.28Å; V232-F251 HydrophobicContact CG1-CZ 4.31Å; V232-F251 HydrophobicContact CG2-CZ 4.41Å; H248-F251 WeakPolarHBondContact O-CB 3.48Å; H248-F251 PolarHBondContact O-N 3.24Å; A249-F251 VanDerWaalsContact C-N 3.33Å; F251-K253 PolarHBondContact O-N 2.82Å; F251-K253 VanDerWaalsContact O-N 3.17Å; F251-N254 PolarHBondContact O-N 3.03Å
252	W	49.9	Very low	49	Very low	87 Å²	87	89.3 Å²	89.3	33%	0.33	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-75.8	-0.9	-179.4	-63.2	-26.2	0	0	0	115.2	V240 L268	V240-W252 HydrophobicContact CG1-CH2 4.37Å; V240-W252 HydrophobicContact CG1-CZ2 3.94Å; V240-W252 HydrophobicContact CG2-CZ2 4.37Å; W252-L268 VanDerWaalsContact O-CD2 3.3Å; W252-L268 WeakPolarHBondContact O-CD2 3.44Å
253	K	53.1	Low	50.1	Low	107 Å²	107	95.9 Å²	95.9	47%	0.465	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-96.4	-22.6	176.2	-70.8	175.9	-175.7	-177.6	0	112	A249 C250 F251 P261 F262	A249-K253 VanDerWaalsContact O-CG 3.32Å; A249-K253 WeakPolarHBondContact O-CG 3.4Å; C250-K253 PolarHBondContact O-N 3.39Å; F251-K253 PolarHBondContact O-N 2.82Å; F251-K253 VanDerWaalsContact O-N 3.17Å; K253-P261 HydrophobicContact CB-CB 4.16Å; K253-P261 CarbonylContact O-C 3.34Å; K253-P261 WeakPolarHBondContact O-CA 3.32Å; K253-F262 PolarHBondContact O-N 3.15Å
254	N	53.8	Low	51.1	Low	82 Å²	82	87.8 Å²	87.8	44%	0.439	48%	0.478	S	S	.	.			trans	-120	142	-168.2	-64.3	-41.9	0	0	0	113.4	C250 F251	C250-N254 PolarHBondContact O-ND2 3.47Å; F251-N254 PolarHBondContact O-N 3.03Å
255	C	60.1	Low	52.2	Low	9 Å²	9	86.1 Å²	86.1	6%	0.061	47%	0.465	C	S	.	.			trans	-79.5	138	172.2	-179.4	0	0	0	0	111.5	R257 G258 F262 L268 H271 H275	C255-R257 PolarHBondContact O-N 3.38Å; C255-R257 PolarHBondContact SG-N 3.09Å; C255-R257 VanDerWaalsContact SG-N 3.37Å; C255-G258 WeakPolarHBondContact O-CA 3.23Å; C255-G258 PolarHBondContact O-N 3.24Å; C255-F262 HydrophobicContact CB-CE2 4.32Å; C255-L268 HydrophobicContact CB-CD1 4.32Å; C255-H271 VanDerWaalsContact CB-CD2 3.48Å; C255-H271 WeakPolarHBondContact CB-CD2 3.21Å; C255-H271 WeakPolarHBondContact CB-NE2 3.32Å; C255-H271 PolarHBondContact SG-CD2 3.13Å; C255-H271 PolarHBondContact SG-NE2 3.43Å; C255-H275 PolarHBondContact SG-CD2 3.48Å; C255-H275 PolarHBondContact SG-NE2 2.87Å
256	P	52.2	Low	53.3	Low	68 Å²	68	86.6 Å²	86.6	44%	0.442	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.4	174.4	-25	33.6	0	0	0	114.8	G258	P256-G258 PolarHBondContact O-N 3.15Å
257	R	53.6	Low	54.2	Low	167 Å²	167	87.6 Å²	87.6	63%	0.63	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	8.7	175.2	-59.4	-165.2	-163.6	163.7	-4.4	113.3	C255 H275	C255-R257 PolarHBondContact O-N 3.38Å; C255-R257 PolarHBondContact SG-N 3.09Å; C255-R257 VanDerWaalsContact SG-N 3.37Å; R257-H275 WeakPolarHBondContact CD-ND1 3.48Å; R257-H275 VanDerWaalsContact NH1-CB 3.31Å; R257-H275 PolarHBondContact NH1-ND1 2.7Å; R257-H275 PolarHBondContact NH1-O 3.46Å; R257-H275 VanDerWaalsContact NH1-O 3.15Å; R257-H275 PolarHBondContact NH2-O 2.94Å
258	G	52.2	Low	55.4	Low	46 Å²	46	82.6 Å²	82.6	47%	0.474	42%	0.424	S	S	.	.			trans	79	163.3	-173	0	0	0	0	0	112.5	C255 P256	C255-G258 WeakPolarHBondContact O-CA 3.23Å; C255-G258 PolarHBondContact O-N 3.24Å; P256-G258 PolarHBondContact O-N 3.15Å
259	G	61.5	Low	56.2	Low	58 Å²	58	82.6 Å²	82.6	60%	0.598	43%	0.428	S	S	*	.			trans	142.2	177	179.1	0	0	0	0	0	113.2
260	K	58	Low	57.3	Low	184 Å²	184	82.1 Å²	82.1	80%	0.8	42%	0.417	S	S	*	.	S	Bend	trans	-61.4	143.5	176.4	-68.2	-175.5	180	-177.2	0	110.4	F262	K260-F262 WeakPolarHBondContact O-CE2 3.3Å; K260-F262 PolarHBondContact O-N 3.33Å
261	P	56.1	Low	58.5	Low	87 Å²	87	81.6 Å²	81.6	57%	0.565	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-65.6	136.7	176.8	24.9	-32.4	0	0	0	111.3	K253	K253-P261 HydrophobicContact CB-CB 4.16Å; K253-P261 CarbonylContact O-C 3.34Å; K253-P261 WeakPolarHBondContact O-CA 3.32Å
262	F	60.8	Low	59.2	Low	45 Å²	45	80.6 Å²	80.6	20%	0.197	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-85.5	131.9	176.3	-68	-86.1	0	0	0	110.4	K253 C255 K260 A264 K267 L268 H271	K253-F262 PolarHBondContact O-N 3.15Å; C255-F262 HydrophobicContact CB-CE2 4.32Å; K260-F262 WeakPolarHBondContact O-CE2 3.3Å; K260-F262 PolarHBondContact O-N 3.33Å; F262-A264 VanDerWaalsContact C-N 3.27Å; F262-A264 PolarHBondContact O-N 2.77Å; F262-K267 HydrophobicContact CB-CB 4.4Å; F262-K267 HydrophobicContact CD1-CB 3.79Å; F262-K267 HydrophobicContact CG-CB 4.49Å; F262-L268 HydrophobicContact CB-CB 4.02Å; F262-L268 HydrophobicContact CD2-CB 4.2Å; F262-L268 HydrophobicContact CD2-CD1 3.68Å; F262-L268 HydrophobicContact CE2-CD1 4.07Å; F262-L268 HydrophobicContact CG-CB 4.1Å; F262-L268 HydrophobicContact CG-CD1 4.42Å; F262-H271 HydrophobicContact CD1-CB 4.42Å; F262-H271 HydrophobicContact CE1-CB 3.59Å; F262-H271 AromaticContact CE1-CG 3.87Å; F262-H271 HydrophobicContact CE2-CB 3.96Å; F262-H271 AromaticContact CE2-CD2 3.42Å; F262-H271 VanDerWaalsContact CE2-CD2 3.42Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.44Å; F262-H271 AromaticContact CE2-CG 3.6Å; F262-H271 AromaticContact CE2-NE2 3.91Å; F262-H271 HydrophobicContact CZ-CB 3.34Å; F262-H271 AromaticContact CZ-CD2 3.44Å; F262-H271 VanDerWaalsContact CZ-CD2 3.44Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.44Å; F262-H271 AromaticContact CZ-CE1 3.9Å; F262-H271 AromaticContact CZ-CG 3.09Å; F262-H271 AromaticContact CZ-ND1 3.45Å; F262-H271 WeakPolarHBondContact CZ-ND1 3.35Å; F262-H271 AromaticContact CZ-NE2 3.91Å
263	K	63.4	Low	59.7	Low	218 Å²	218	80.4 Å²	80.4	95%	0.948	40%	0.404	S	S	*	.	S	Bend	trans	-74.9	-13.3	179.3	-63.1	-174.5	178.5	-175	0	113.8
264	A	62.2	Low	60	Low	31 Å²	31	77.6 Å²	77.6	26%	0.256	40%	0.396	S	S	.	.	S	Bend	trans	-146.6	142.8	-176.3	0	0	0	0	0	112	F262 Y266 K267 L268	F262-A264 VanDerWaalsContact C-N 3.27Å; F262-A264 PolarHBondContact O-N 2.77Å; A264-Y266 HydrophobicContact CB-CD1 3.67Å; A264-Y266 HydrophobicContact CB-CE1 3.5Å; A264-Y266 VanDerWaalsContact CB-CE1 3.5Å; A264-Y266 PolarHBondContact O-N 3.22Å; A264-K267 HydrophobicContact CB-CG 4.11Å; A264-K267 WeakPolarHBondContact O-CB 3.39Å; A264-K267 PolarHBondContact O-N 3.43Å; A264-L268 PolarHBondContact O-N 3.1Å
265	K	59.3	Low	60.1	Low	91 Å²	91	75.9 Å²	75.9	40%	0.396	39%	0.386	S	S	.	.	H	α-helix	trans	-52.6	-48.7	-179.9	-177.4	179.1	178	179.1	0	112.4	K267 L268 V269	K265-K267 PolarHBondContact O-N 2.91Å; K265-L268 WeakPolarHBondContact O-CB 3.49Å; K265-L268 PolarHBondContact O-N 3.06Å; K265-L268 VanDerWaalsContact O-N 3.1Å; K265-V269 HydrophobicContact CG-CG2 4.47Å; K265-V269 WeakPolarHBondContact O-CG2 3.47Å; K265-V269 PolarHBondContact O-N 3.38Å
266	Y	65.2	Low	59.7	Low	134 Å²	134	77.8 Å²	77.8	53%	0.525	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-29.4	-179.9	79.4	-88.5	0	0	0	113.1	A264 N270	A264-Y266 HydrophobicContact CB-CD1 3.67Å; A264-Y266 HydrophobicContact CB-CE1 3.5Å; A264-Y266 VanDerWaalsContact CB-CE1 3.5Å; A264-Y266 PolarHBondContact O-N 3.22Å; Y266-N270 VanDerWaalsContact O-CB 3.28Å; Y266-N270 WeakPolarHBondContact O-CB 3.43Å; Y266-N270 PolarHBondContact O-N 3.23Å
267	K	64.7	Low	59.8	Low	104 Å²	104	75.5 Å²	75.5	45%	0.452	39%	0.385	S	S	.	.	H	α-helix	trans	-71.2	-39.9	175.2	-64.8	-68.6	-161.5	-162.9	0	111.1	F262 A264 K265 H271	F262-K267 HydrophobicContact CB-CB 4.4Å; F262-K267 HydrophobicContact CD1-CB 3.79Å; F262-K267 HydrophobicContact CG-CB 4.49Å; A264-K267 HydrophobicContact CB-CG 4.11Å; A264-K267 WeakPolarHBondContact O-CB 3.39Å; A264-K267 PolarHBondContact O-N 3.43Å; K265-K267 PolarHBondContact O-N 2.91Å; K267-H271 VanDerWaalsContact O-CB 3.26Å; K267-H271 WeakPolarHBondContact O-CB 3.19Å; K267-H271 PolarHBondContact O-N 3.24Å
268	L	64.9	Low	59.8	Low	7 Å²	7	73.1 Å²	73.1	4%	0.037	38%	0.382	C	S	.	.	H	α-helix	trans	-64.2	-47.5	173	175.8	62.6	0	0	0	110.6	W252 C255 F262 A264 K265 N270 H271 I272	W252-L268 VanDerWaalsContact O-CD2 3.3Å; W252-L268 WeakPolarHBondContact O-CD2 3.44Å; C255-L268 HydrophobicContact CB-CD1 4.32Å; F262-L268 HydrophobicContact CB-CB 4.02Å; F262-L268 HydrophobicContact CD2-CB 4.2Å; F262-L268 HydrophobicContact CD2-CD1 3.68Å; F262-L268 HydrophobicContact CE2-CD1 4.07Å; F262-L268 HydrophobicContact CG-CB 4.1Å; F262-L268 HydrophobicContact CG-CD1 4.42Å; A264-L268 PolarHBondContact O-N 3.1Å; K265-L268 WeakPolarHBondContact O-CB 3.49Å; K265-L268 PolarHBondContact O-N 3.06Å; K265-L268 VanDerWaalsContact O-N 3.1Å; L268-N270 PolarHBondContact O-N 3.44Å; L268-H271 CarbonylContact O-C 3.6Å; L268-H271 WeakPolarHBondContact O-CA 3.27Å; L268-H271 WeakPolarHBondContact O-CB 3.42Å; L268-H271 PolarHBondContact O-N 3.32Å; L268-I272 HydrophobicContact CD1-CD1 3.92Å; L268-I272 HydrophobicContact CD1-CG1 4.04Å; L268-I272 HydrophobicContact CD2-CD1 4.36Å; L268-I272 HydrophobicContact CG-CD1 3.77Å; L268-I272 HydrophobicContact CG-CG1 4.32Å; L268-I272 WeakPolarHBondContact O-CG1 3.45Å; L268-I272 PolarHBondContact O-N 2.96Å
269	V	60.2	Low	59.9	Low	52 Å²	52	76.3 Å²	76.3	32%	0.315	39%	0.388	S	S	.	.	H	α-helix	trans	-58.6	-46.9	177.3	173.3	0	0	0	0	110.8	K265 H271 I272 R273	K265-V269 HydrophobicContact CG-CG2 4.47Å; K265-V269 WeakPolarHBondContact O-CG2 3.47Å; K265-V269 PolarHBondContact O-N 3.38Å; V269-H271 VanDerWaalsContact C-N 3.27Å; V269-H271 PolarHBondContact O-N 3.42Å; V269-I272 PolarHBondContact O-N 3.45Å; V269-R273 VanDerWaalsContact O-CD 3.31Å; V269-R273 WeakPolarHBondContact O-CD 3.35Å; V269-R273 VanDerWaalsContact O-CG 3.28Å; V269-R273 WeakPolarHBondContact O-CG 3.45Å; V269-R273 PolarHBondContact O-N 3.26Å
270	N	63.9	Low	60.1	Low	49 Å²	49	74 Å²	74	26%	0.262	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-31	175.3	-74.1	-9.3	0	0	0	113.2	Y266 L268 R273 V274	Y266-N270 VanDerWaalsContact O-CB 3.28Å; Y266-N270 WeakPolarHBondContact O-CB 3.43Å; Y266-N270 PolarHBondContact O-N 3.23Å; L268-N270 PolarHBondContact O-N 3.44Å; N270-R273 WeakPolarHBondContact O-CB 3.18Å; N270-V274 PolarHBondContact O-N 2.95Å
271	H	68.2	Low	60.2	Low	43 Å²	43	67.9 Å²	67.9	20%	0.199	35%	0.351	C	S	.	.	H	α-helix	trans	-73	-40.4	173.1	170.7	76	0	0	0	112.4	C255 F262 K267 L268 V269 R273 V274 H275	C255-H271 VanDerWaalsContact CB-CD2 3.48Å; C255-H271 WeakPolarHBondContact CB-CD2 3.21Å; C255-H271 WeakPolarHBondContact CB-NE2 3.32Å; C255-H271 PolarHBondContact SG-CD2 3.13Å; C255-H271 PolarHBondContact SG-NE2 3.43Å; F262-H271 HydrophobicContact CD1-CB 4.42Å; F262-H271 HydrophobicContact CE1-CB 3.59Å; F262-H271 AromaticContact CE1-CG 3.87Å; F262-H271 HydrophobicContact CE2-CB 3.96Å; F262-H271 AromaticContact CE2-CD2 3.42Å; F262-H271 VanDerWaalsContact CE2-CD2 3.42Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.44Å; F262-H271 AromaticContact CE2-CG 3.6Å; F262-H271 AromaticContact CE2-NE2 3.91Å; F262-H271 HydrophobicContact CZ-CB 3.34Å; F262-H271 AromaticContact CZ-CD2 3.44Å; F262-H271 VanDerWaalsContact CZ-CD2 3.44Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.44Å; F262-H271 AromaticContact CZ-CE1 3.9Å; F262-H271 AromaticContact CZ-CG 3.09Å; F262-H271 AromaticContact CZ-ND1 3.45Å; F262-H271 WeakPolarHBondContact CZ-ND1 3.35Å; F262-H271 AromaticContact CZ-NE2 3.91Å; K267-H271 VanDerWaalsContact O-CB 3.26Å; K267-H271 WeakPolarHBondContact O-CB 3.19Å; K267-H271 PolarHBondContact O-N 3.24Å; L268-H271 CarbonylContact O-C 3.6Å; L268-H271 WeakPolarHBondContact O-CA 3.27Å; L268-H271 WeakPolarHBondContact O-CB 3.42Å; L268-H271 PolarHBondContact O-N 3.32Å; V269-H271 VanDerWaalsContact C-N 3.27Å; V269-H271 PolarHBondContact O-N 3.42Å; H271-R273 PolarHBondContact O-N 2.94Å; H271-V274 WeakPolarHBondContact O-CA 3.28Å; H271-V274 WeakPolarHBondContact O-CB 3.47Å; H271-V274 PolarHBondContact O-N 3.39Å; H271-H275 AromaticContact CD2-CD2 3.98Å; H271-H275 AromaticContact CD2-NE2 3.71Å; H271-H275 AromaticContact CE1-NE2 3.33Å; H271-H275 PolarHBondContact CE1-NE2 2.96Å; H271-H275 VanDerWaalsContact CE1-NE2 3.33Å; H271-H275 AromaticContact NE2-CD2 3.67Å; H271-H275 AromaticContact NE2-CE1 3.98Å; H271-H275 AromaticContact NE2-NE2 2.94Å; H271-H275 PolarHBondContact NE2-NE2 3.35Å; H271-H275 PolarHBondContact O-N 3.23Å
272	I	60.3	Low	60.7	Low	23 Å²	23	70.2 Å²	70.2	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-62.8	-33.5	173.8	-66.2	167.3	0	0	0	110.2	F229 L268 V269 V274 H275 T276	F229-I272 HydrophobicContact CD2-CG2 3.8Å; F229-I272 HydrophobicContact CE2-CG2 4.12Å; L268-I272 HydrophobicContact CD1-CD1 3.92Å; L268-I272 HydrophobicContact CD1-CG1 4.04Å; L268-I272 HydrophobicContact CD2-CD1 4.36Å; L268-I272 HydrophobicContact CG-CD1 3.77Å; L268-I272 HydrophobicContact CG-CG1 4.32Å; L268-I272 WeakPolarHBondContact O-CG1 3.45Å; L268-I272 PolarHBondContact O-N 2.96Å; V269-I272 PolarHBondContact O-N 3.45Å; I272-V274 PolarHBondContact O-N 3.48Å; I272-H275 WeakPolarHBondContact O-CA 3.37Å; I272-H275 WeakPolarHBondContact O-CB 3.25Å; I272-H275 PolarHBondContact O-N 3.35Å; I272-T276 PolarHBondContact O-N 2.91Å
273	R	60.7	Low	61.2	Low	83 Å²	83	74.8 Å²	74.8	31%	0.313	38%	0.384	S	S	.	.	H	α-helix	trans	-63.8	-25	171.1	-72.5	155.8	165.2	-143.5	17.1	113.7	V269 N270 H271 H275 T276 G277 E278 N279 C280	V269-R273 VanDerWaalsContact O-CD 3.31Å; V269-R273 WeakPolarHBondContact O-CD 3.35Å; V269-R273 VanDerWaalsContact O-CG 3.28Å; V269-R273 WeakPolarHBondContact O-CG 3.45Å; V269-R273 PolarHBondContact O-N 3.26Å; N270-R273 WeakPolarHBondContact O-CB 3.18Å; H271-R273 PolarHBondContact O-N 2.94Å; R273-H275 VanDerWaalsContact C-N 3.27Å; R273-T276 PolarHBondContact O-OG1 3.2Å; R273-G277 PolarHBondContact O-N 3.44Å; R273-E278 WeakPolarHBondContact CB-O 3.31Å; R273-E278 VanDerWaalsContact CG-O 3.25Å; R273-E278 WeakPolarHBondContact CG-O 3.12Å; R273-E278 PolarHBondContact O-N 3.31Å; R273-N279 WeakPolarHBondContact CD-O 3.42Å; R273-N279 PolarHBondContact NH1-O 2.83Å; R273-C280 HydrophobicContact CB-CB 4.35Å
274	V	59.2	Low	61.8	Low	48 Å²	48	67.7 Å²	67.7	29%	0.291	35%	0.353	S	S	.	.	H	α-helix	trans	-67.4	-33.3	169.6	-179.7	0	0	0	0	110.9	N270 H271 I272 C280 H297	N270-V274 PolarHBondContact O-N 2.95Å; H271-V274 WeakPolarHBondContact O-CA 3.28Å; H271-V274 WeakPolarHBondContact O-CB 3.47Å; H271-V274 PolarHBondContact O-N 3.39Å; I272-V274 PolarHBondContact O-N 3.48Å; V274-C280 HydrophobicContact CG2-CB 4.45Å; V274-H297 WeakPolarHBondContact CA-ND1 3.34Å; V274-H297 CarbonylContact O-C 3.34Å; V274-H297 WeakPolarHBondContact O-CA 3.28Å; V274-H297 VanDerWaalsContact O-CB 3.27Å; V274-H297 WeakPolarHBondContact O-CB 3.46Å
275	H	56.3	Low	62.5	Low	47 Å²	47	71.5 Å²	71.5	22%	0.218	39%	0.385	C	S	.	.	H	α-helix	trans	-75.1	-28.1	-179.8	-75.1	-43.2	0	0	0	113.8	C255 R257 H271 I272 R273	C255-H275 PolarHBondContact SG-CD2 3.48Å; C255-H275 PolarHBondContact SG-NE2 2.87Å; R257-H275 WeakPolarHBondContact CD-ND1 3.48Å; R257-H275 VanDerWaalsContact NH1-CB 3.31Å; R257-H275 PolarHBondContact NH1-ND1 2.7Å; R257-H275 PolarHBondContact NH1-O 3.46Å; R257-H275 VanDerWaalsContact NH1-O 3.15Å; R257-H275 PolarHBondContact NH2-O 2.94Å; H271-H275 AromaticContact CD2-CD2 3.98Å; H271-H275 AromaticContact CD2-NE2 3.71Å; H271-H275 AromaticContact CE1-NE2 3.33Å; H271-H275 PolarHBondContact CE1-NE2 2.96Å; H271-H275 VanDerWaalsContact CE1-NE2 3.33Å; H271-H275 AromaticContact NE2-CD2 3.67Å; H271-H275 AromaticContact NE2-CE1 3.98Å; H271-H275 AromaticContact NE2-NE2 2.94Å; H271-H275 PolarHBondContact NE2-NE2 3.35Å; H271-H275 PolarHBondContact O-N 3.23Å; I272-H275 WeakPolarHBondContact O-CA 3.37Å; I272-H275 WeakPolarHBondContact O-CB 3.25Å; I272-H275 PolarHBondContact O-N 3.35Å; R273-H275 VanDerWaalsContact C-N 3.27Å
276	T	51.2	Low	63.5	Low	48 Å²	48	75.8 Å²	75.8	29%	0.294	40%	0.398	S	S	.	.	H	α-helix	trans	-99	-6.8	-176.9	58.5	0	0	0	0	113.7	F229 I272 R273 E278	F229-T276 HydrophobicContact CB-CG2 4.09Å; F229-T276 HydrophobicContact CD2-CG2 3.78Å; F229-T276 HydrophobicContact CE2-CG2 4.43Å; F229-T276 HydrophobicContact CG-CG2 4Å; I272-T276 PolarHBondContact O-N 2.91Å; R273-T276 PolarHBondContact O-OG1 3.2Å; T276-E278 PolarHBondContact O-N 3.45Å; T276-E278 VanDerWaalsContact O-N 3.13Å
277	G	54.5	Low	64.3	Low	20 Å²	20	74.4 Å²	74.4	21%	0.206	41%	0.408	C	S	.	.	S	Bend	trans	73.8	-5.7	-175	0	0	0	0	0	114.3	R273	R273-G277 PolarHBondContact O-N 3.44Å
278	E	52.8	Low	65.2	Low	117 Å²	117	74 Å²	74	55%	0.547	41%	0.408	S	S	.	.	S	Bend	trans	-103.3	103.7	-173	-73.5	-175	142.1	0	0	110.6	R273 T276	R273-E278 WeakPolarHBondContact CB-O 3.31Å; R273-E278 VanDerWaalsContact CG-O 3.25Å; R273-E278 WeakPolarHBondContact CG-O 3.12Å; R273-E278 PolarHBondContact O-N 3.31Å; T276-E278 PolarHBondContact O-N 3.45Å; T276-E278 VanDerWaalsContact O-N 3.13Å
279	N	54	Low	66.1	Low	113 Å²	113	77.1 Å²	77.1	60%	0.604	43%	0.425	S	S	*	.			trans	57.4	69	156	-60.6	-22	0	0	0	116.3	R273 G281	R273-N279 WeakPolarHBondContact CD-O 3.42Å; R273-N279 PolarHBondContact NH1-O 2.83Å; N279-G281 PolarHBondContact O-N 2.81Å
280	C	65.7	Low	67	Low	10 Å²	10	77.8 Å²	77.8	7%	0.068	43%	0.426	C	S	.	.			trans	-64.6	11.3	171	80.9	0	0	0	0	115.8	R273 V274 K282 H293	R273-C280 HydrophobicContact CB-CB 4.35Å; V274-C280 HydrophobicContact CG2-CB 4.45Å; C280-K282 PolarHBondContact O-N 3.48Å; C280-K282 VanDerWaalsContact SG-CG 3.56Å; C280-H293 PolarHBondContact SG-CE1 2.9Å; C280-H293 PolarHBondContact SG-NE2 3.24Å
281	G	61.6	Low	67.9	Low	55 Å²	55	81 Å²	81	57%	0.567	44%	0.438	S	S	*	.	S	Bend	trans	75.7	2.5	178.6	0	0	0	0	0	114.7	N279	N279-G281 PolarHBondContact O-N 2.81Å
282	K	66.5	Low	68.6	Low	136 Å²	136	80.5 Å²	80.5	59%	0.591	44%	0.436	S	S	*	.			trans	-80.3	125	174	-68.7	-178.9	-175.4	-179.6	0	110.3	C280 F284	C280-K282 PolarHBondContact O-N 3.48Å; C280-K282 VanDerWaalsContact SG-CG 3.56Å; K282-F284 HydrophobicContact CB-CD2 4.5Å; K282-F284 HydrophobicContact CB-CE2 3.61Å; K282-F284 HydrophobicContact CB-CZ 3.92Å; K282-F284 HydrophobicContact CD-CZ 4.31Å
283	V	70.9	Confident	69.6	Low	142 Å²	142	80.3 Å²	80.3	86%	0.861	44%	0.435	S	S	*	.			trans	-95.7	135.6	175.4	-175.1	0	0	0	0	108.8
284	F	75.3	Confident	70.3	Confident	69 Å²	69	81.1 Å²	81.1	30%	0.303	44%	0.441	S	S	.	.			trans	-122.5	135.3	179.6	-63.7	-92.1	0	0	0	110	K282 R286 N289 L290 H293	K282-F284 HydrophobicContact CB-CD2 4.5Å; K282-F284 HydrophobicContact CB-CE2 3.61Å; K282-F284 HydrophobicContact CB-CZ 3.92Å; K282-F284 HydrophobicContact CD-CZ 4.31Å; F284-R286 PolarHBondContact O-N 3.41Å; F284-N289 HydrophobicContact CB-CB 4.18Å; F284-N289 HydrophobicContact CD1-CB 3.82Å; F284-N289 HydrophobicContact CG-CB 4.27Å; F284-L290 HydrophobicContact CB-CB 4.26Å; F284-L290 HydrophobicContact CD2-CB 4.18Å; F284-L290 HydrophobicContact CD2-CD1 3.85Å; F284-L290 HydrophobicContact CE2-CD1 4.27Å; F284-L290 HydrophobicContact CG-CB 4.42Å; F284-H293 HydrophobicContact CD2-CB 4.49Å; F284-H293 HydrophobicContact CE1-CB 4.02Å; F284-H293 HydrophobicContact CE2-CB 3.69Å; F284-H293 AromaticContact CE2-CD2 3.24Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.37Å; F284-H293 AromaticContact CE2-CG 3.39Å; F284-H293 AromaticContact CE2-NE2 3.93Å; F284-H293 HydrophobicContact CZ-CB 3.4Å; F284-H293 VanDerWaalsContact CZ-CB 3.4Å; F284-H293 AromaticContact CZ-CD2 3.58Å; F284-H293 AromaticContact CZ-CG 3.21Å; F284-H293 AromaticContact CZ-ND1 3.68Å
285	A	76.8	Confident	71.3	Confident	110 Å²	110	81 Å²	81	91%	0.909	44%	0.435	S	S	*	.	S	Bend	trans	-70.2	-15.2	178.7	0	0	0	0	0	114.2
286	R	80.2	Confident	72.2	Confident	182 Å²	182	82.6 Å²	82.6	69%	0.687	45%	0.448	S	S	*	.	S	Bend	trans	-129.9	137.7	179.9	-61.7	-175.5	-171	169.7	1.9	110.4	F284 E288 N289 L290	F284-R286 PolarHBondContact O-N 3.41Å; R286-E288 VanDerWaalsContact C-N 3.32Å; R286-E288 PolarHBondContact O-N 3.2Å; R286-N289 HydrophobicContact CB-CB 4.5Å; R286-N289 WeakPolarHBondContact O-CB 3.49Å; R286-N289 PolarHBondContact O-N 3.03Å; R286-L290 PolarHBondContact O-N 3.35Å
287	S	82.1	Confident	73	Confident	105 Å²	105	81.2 Å²	81.2	73%	0.734	44%	0.438	S	S	*	.	H	α-helix	trans	-59.6	-38.7	178.7	55.1	0	0	0	0	113	N289 L290 K291	S287-N289 VanDerWaalsContact C-N 3.32Å; S287-N289 PolarHBondContact O-N 2.8Å; S287-L290 WeakPolarHBondContact O-CB 3.42Å; S287-L290 PolarHBondContact O-N 2.93Å; S287-K291 PolarHBondContact O-N 3.36Å
288	E	83.9	Confident	73.8	Confident	96 Å²	96	84 Å²	84	45%	0.449	45%	0.451	S	S	.	.	H	α-helix	trans	-62.5	-39.1	177.5	-174.7	56.9	-155.3	0	0	112	R286 L290 K291 I292	R286-E288 VanDerWaalsContact C-N 3.32Å; R286-E288 PolarHBondContact O-N 3.2Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 2.9Å; E288-K291 WeakPolarHBondContact O-CB 3.05Å; E288-K291 PolarHBondContact O-N 2.97Å; E288-I292 HydrophobicContact CG-CD1 4.08Å; E288-I292 WeakPolarHBondContact O-CG1 3.23Å; E288-I292 PolarHBondContact O-N 3.1Å
289	N	83.2	Confident	74.9	Confident	72 Å²	72	80.8 Å²	80.8	39%	0.385	45%	0.45	S	S	.	.	H	α-helix	trans	-66.2	-38.3	176.5	-67.5	-15.5	0	0	0	111.3	F284 R286 S287 H293	F284-N289 HydrophobicContact CB-CB 4.18Å; F284-N289 HydrophobicContact CD1-CB 3.82Å; F284-N289 HydrophobicContact CG-CB 4.27Å; R286-N289 HydrophobicContact CB-CB 4.5Å; R286-N289 WeakPolarHBondContact O-CB 3.49Å; R286-N289 PolarHBondContact O-N 3.03Å; S287-N289 VanDerWaalsContact C-N 3.32Å; S287-N289 PolarHBondContact O-N 2.8Å; N289-H293 WeakPolarHBondContact O-CB 3.45Å; N289-H293 PolarHBondContact O-N 3.43Å
290	L	79.9	Confident	76.1	Confident	66 Å²	66	80.8 Å²	80.8	35%	0.346	45%	0.446	S	S	.	.	H	α-helix	trans	-63.1	-42.9	173	176.6	63.8	0	0	0	111.2	F284 R286 S287 E288 H293 K294	F284-L290 HydrophobicContact CB-CB 4.26Å; F284-L290 HydrophobicContact CD2-CB 4.18Å; F284-L290 HydrophobicContact CD2-CD1 3.85Å; F284-L290 HydrophobicContact CE2-CD1 4.27Å; F284-L290 HydrophobicContact CG-CB 4.42Å; R286-L290 PolarHBondContact O-N 3.35Å; S287-L290 WeakPolarHBondContact O-CB 3.42Å; S287-L290 PolarHBondContact O-N 2.93Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 2.9Å; L290-H293 WeakPolarHBondContact O-CB 3.26Å; L290-H293 PolarHBondContact O-N 2.87Å; L290-K294 WeakPolarHBondContact O-CG 3.47Å; L290-K294 PolarHBondContact O-N 3.35Å
291	K	82.3	Confident	77	Confident	117 Å²	117	84.2 Å²	84.2	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-62.5	-47.2	178.1	-172	177.8	-176.8	176.8	0	111.9	S287 E288 H293 K294 R295	S287-K291 PolarHBondContact O-N 3.36Å; E288-K291 WeakPolarHBondContact O-CB 3.05Å; E288-K291 PolarHBondContact O-N 2.97Å; K291-H293 VanDerWaalsContact C-N 3.29Å; K291-H293 PolarHBondContact O-N 3.46Å; K291-K294 PolarHBondContact O-N 3.25Å; K291-R295 PolarHBondContact O-N 2.58Å
292	I	83.1	Confident	78.2	Confident	31 Å²	31	84.5 Å²	84.5	16%	0.159	45%	0.452	C	S	.	.	H	α-helix	trans	-60.6	-42.4	174.1	-67.7	164.8	0	0	0	110.3	E288 R295 N316	E288-I292 HydrophobicContact CG-CD1 4.08Å; E288-I292 WeakPolarHBondContact O-CG1 3.23Å; E288-I292 PolarHBondContact O-N 3.1Å; I292-R295 WeakPolarHBondContact O-CB 3.37Å; I292-R295 PolarHBondContact O-N 2.84Å; I292-N316 HydrophobicContact CD1-CB 3.69Å; I292-N316 HydrophobicContact CG1-CB 3.89Å; I292-N316 HydrophobicContact CG2-CB 3.81Å
293	H	81.1	Confident	79.2	Confident	20 Å²	20	80.7 Å²	80.7	9%	0.093	44%	0.435	C	S	.	.	H	α-helix	trans	-63.5	-40.8	177.6	170.4	61.7	0	0	0	112.6	C280 F284 N289 L290 K291 R295 T296 H297	C280-H293 PolarHBondContact SG-CE1 2.9Å; C280-H293 PolarHBondContact SG-NE2 3.24Å; F284-H293 HydrophobicContact CD2-CB 4.49Å; F284-H293 HydrophobicContact CE1-CB 4.02Å; F284-H293 HydrophobicContact CE2-CB 3.69Å; F284-H293 AromaticContact CE2-CD2 3.24Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.37Å; F284-H293 AromaticContact CE2-CG 3.39Å; F284-H293 AromaticContact CE2-NE2 3.93Å; F284-H293 HydrophobicContact CZ-CB 3.4Å; F284-H293 VanDerWaalsContact CZ-CB 3.4Å; F284-H293 AromaticContact CZ-CD2 3.58Å; F284-H293 AromaticContact CZ-CG 3.21Å; F284-H293 AromaticContact CZ-ND1 3.68Å; N289-H293 WeakPolarHBondContact O-CB 3.45Å; N289-H293 PolarHBondContact O-N 3.43Å; L290-H293 WeakPolarHBondContact O-CB 3.26Å; L290-H293 PolarHBondContact O-N 2.87Å; K291-H293 VanDerWaalsContact C-N 3.29Å; K291-H293 PolarHBondContact O-N 3.46Å; H293-R295 PolarHBondContact O-N 3.29Å; H293-T296 PolarHBondContact ND1-OG1 3.4Å; H293-T296 WeakPolarHBondContact O-CA 3.5Å; H293-T296 WeakPolarHBondContact O-CB 3.33Å; H293-T296 PolarHBondContact O-N 2.88Å; H293-T296 PolarHBondContact O-OG1 3.31Å; H293-H297 AromaticContact CD2-NE2 3.68Å; H293-H297 AromaticContact CE1-CE1 3.35Å; H293-H297 PolarHBondContact CE1-CE1 3.33Å; H293-H297 AromaticContact CE1-NE2 3.31Å; H293-H297 PolarHBondContact CE1-NE2 2.93Å; H293-H297 VanDerWaalsContact CE1-NE2 3.31Å; H293-H297 AromaticContact NE2-CD2 3.97Å; H293-H297 AromaticContact NE2-CE1 3.4Å; H293-H297 PolarHBondContact NE2-CE1 3.29Å; H293-H297 AromaticContact NE2-NE2 2.88Å; H293-H297 PolarHBondContact NE2-NE2 3.45Å
294	K	75	Confident	80	Confident	100 Å²	100	79 Å²	79	44%	0.435	42%	0.417	S	S	.	.	H	α-helix	trans	-57.4	-35.7	175.3	-75.7	-175.7	175.6	-166.6	0	112.4	L290 K291 T296 H297 T298	L290-K294 WeakPolarHBondContact O-CG 3.47Å; L290-K294 PolarHBondContact O-N 3.35Å; K291-K294 PolarHBondContact O-N 3.25Å; K294-T296 PolarHBondContact O-N 3.43Å; K294-H297 WeakPolarHBondContact O-CB 3.28Å; K294-H297 PolarHBondContact O-N 3.35Å; K294-T298 PolarHBondContact O-N 3.25Å
295	R	80.4	Confident	80.6	Confident	44 Å²	44	76.1 Å²	76.1	17%	0.166	41%	0.405	C	S	.	.	H	α-helix	trans	-61.7	-23.5	173.8	-66.3	179.6	176	149.1	2	113.8	K291 I292 H293 H297 T298 G299 E300 A315	K291-R295 PolarHBondContact O-N 2.58Å; I292-R295 WeakPolarHBondContact O-CB 3.37Å; I292-R295 PolarHBondContact O-N 2.84Å; H293-R295 PolarHBondContact O-N 3.29Å; R295-H297 VanDerWaalsContact C-N 3.25Å; R295-H297 PolarHBondContact O-N 2.95Å; R295-T298 WeakPolarHBondContact CA-OG1 3.45Å; R295-T298 PolarHBondContact O-OG1 2.88Å; R295-G299 WeakPolarHBondContact O-CA 3.36Å; R295-G299 PolarHBondContact O-N 2.93Å; R295-E300 HydrophobicContact CB-CB 4.36Å; R295-E300 HydrophobicContact CG-CB 4.3Å; R295-E300 PolarHBondContact O-N 3.13Å; R295-A315 HydrophobicContact CB-CB 4.15Å; R295-A315 VanDerWaalsContact CD-O 3.28Å; R295-A315 WeakPolarHBondContact CD-O 3.48Å; R295-A315 PolarHBondContact NH1-O 3.25Å
296	T	76.4	Confident	81.1	Confident	81 Å²	81	79.3 Å²	79.3	50%	0.497	40%	0.401	S	S	.	.	H	α-helix	trans	-71.7	-22.1	174.3	70.3	0	0	0	0	112.9	H293 K294	H293-T296 PolarHBondContact ND1-OG1 3.4Å; H293-T296 WeakPolarHBondContact O-CA 3.5Å; H293-T296 WeakPolarHBondContact O-CB 3.33Å; H293-T296 PolarHBondContact O-N 2.88Å; H293-T296 PolarHBondContact O-OG1 3.31Å; K294-T296 PolarHBondContact O-N 3.43Å
297	H	68.5	Low	81.3	Confident	19 Å²	19	75.6 Å²	75.6	9%	0.088	39%	0.39	C	S	.	.	H	α-helix	trans	-84.5	-42.9	175	-57.9	-40	0	0	0	111.7	V274 H293 K294 R295 G299	V274-H297 WeakPolarHBondContact CA-ND1 3.34Å; V274-H297 CarbonylContact O-C 3.34Å; V274-H297 WeakPolarHBondContact O-CA 3.28Å; V274-H297 VanDerWaalsContact O-CB 3.27Å; V274-H297 WeakPolarHBondContact O-CB 3.46Å; H293-H297 AromaticContact CD2-NE2 3.68Å; H293-H297 AromaticContact CE1-CE1 3.35Å; H293-H297 PolarHBondContact CE1-CE1 3.33Å; H293-H297 AromaticContact CE1-NE2 3.31Å; H293-H297 PolarHBondContact CE1-NE2 2.93Å; H293-H297 VanDerWaalsContact CE1-NE2 3.31Å; H293-H297 AromaticContact NE2-CD2 3.97Å; H293-H297 AromaticContact NE2-CE1 3.4Å; H293-H297 PolarHBondContact NE2-CE1 3.29Å; H293-H297 AromaticContact NE2-NE2 2.88Å; H293-H297 PolarHBondContact NE2-NE2 3.45Å; K294-H297 WeakPolarHBondContact O-CB 3.28Å; K294-H297 PolarHBondContact O-N 3.35Å; R295-H297 VanDerWaalsContact C-N 3.25Å; R295-H297 PolarHBondContact O-N 2.95Å; H297-G299 VanDerWaalsContact C-N 3.27Å; H297-G299 PolarHBondContact O-N 3.22Å
298	T	71.4	Confident	81.1	Confident	78 Å²	78	75.9 Å²	75.9	48%	0.479	39%	0.392	S	S	.	.	H	α-helix	trans	-76.4	-16.2	178.7	60.9	0	0	0	0	113	K294 R295 E300	K294-T298 PolarHBondContact O-N 3.25Å; R295-T298 WeakPolarHBondContact CA-OG1 3.45Å; R295-T298 PolarHBondContact O-OG1 2.88Å; T298-E300 PolarHBondContact O-N 3.12Å; T298-E300 WeakPolarHBondContact OG1-CB 3.24Å; T298-E300 WeakPolarHBondContact OG1-CG 3.17Å; T298-E300 PolarHBondContact OG1-N 3.05Å
299	G	75.1	Confident	81.1	Confident	50 Å²	50	75.1 Å²	75.1	52%	0.515	41%	0.409	S	S	.	.			trans	74.9	6.1	-173.5	0	0	0	0	0	113.7	R295 H297 K301	R295-G299 WeakPolarHBondContact O-CA 3.36Å; R295-G299 PolarHBondContact O-N 2.93Å; H297-G299 VanDerWaalsContact C-N 3.27Å; H297-G299 PolarHBondContact O-N 3.22Å; G299-K301 PolarHBondContact O-N 3.4Å
300	E	79.2	Confident	81.1	Confident	114 Å²	114	72.3 Å²	72.3	53%	0.533	40%	0.395	S	S	.	.			trans	-66.5	122.1	-178.8	-74.9	179.3	-177.8	0	0	112.1	R295 T298 P302	R295-E300 HydrophobicContact CB-CB 4.36Å; R295-E300 HydrophobicContact CG-CB 4.3Å; R295-E300 PolarHBondContact O-N 3.13Å; T298-E300 PolarHBondContact O-N 3.12Å; T298-E300 WeakPolarHBondContact OG1-CB 3.24Å; T298-E300 WeakPolarHBondContact OG1-CG 3.17Å; T298-E300 PolarHBondContact OG1-N 3.05Å; E300-P302 WeakPolarHBondContact O-CD 3.32Å
301	K	85.2	Confident	81.4	Confident	81 Å²	81	75.1 Å²	75.1	35%	0.352	41%	0.411	S	S	.	.			trans	-124.8	78.4	177.8	-67	171.5	174.1	-174.2	0	110.4	G299 F303 R313 F314 F351	G299-K301 PolarHBondContact O-N 3.4Å; K301-F303 VanDerWaalsContact C-N 3.29Å; K301-F303 PolarHBondContact O-N 3.45Å; K301-R313 HydrophobicContact CB-CB 3.53Å; K301-R313 HydrophobicContact CD-CB 4.26Å; K301-R313 WeakPolarHBondContact CD-O 3.41Å; K301-R313 PolarHBondContact O-NE 2.92Å; K301-R313 PolarHBondContact O-NH2 3.31Å; K301-F314 CarbonylContact C-O 3.5Å; K301-F314 WeakPolarHBondContact CA-O 3.46Å; K301-F351 VanDerWaalsContact NZ-CZ 3.27Å
302	P	85.9	Confident	81.5	Confident	62 Å²	62	73.8 Å²	73.8	40%	0.403	40%	0.403	S	S	.	.			trans	-68.8	-25.3	-173.5	24	-31.3	0	0	0	113.5	E300 K304	E300-P302 WeakPolarHBondContact O-CD 3.32Å; P302-K304 PolarHBondContact O-N 2.96Å
303	F	86.7	Confident	81.7	Confident	55 Å²	55	79.3 Å²	79.3	24%	0.241	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	100.2	-172.7	-58.5	-77.3	0	0	0	111.7	K301 R313 F314 N316 R320	K301-F303 VanDerWaalsContact C-N 3.29Å; K301-F303 PolarHBondContact O-N 3.45Å; F303-R313 CarbonylContact O-C 3.55Å; F303-R313 VanDerWaalsContact O-CA 3.32Å; F303-R313 WeakPolarHBondContact O-CA 3.5Å; F303-F314 HydrophobicContact CB-CB 4.29Å; F303-F314 PolarHBondContact N-O 3.45Å; F303-F314 VanDerWaalsContact N-O 3.1Å; F303-F314 PolarHBondContact O-N 3.34Å; F303-N316 VanDerWaalsContact CD2-CA 3.5Å; F303-N316 WeakPolarHBondContact CD2-O 3.31Å; F303-R320 HydrophobicContact CB-CB 4.22Å
304	K	87.8	Confident	82	Confident	108 Å²	108	79.2 Å²	79.2	47%	0.47	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	146	171.2	-164.6	-177	177.4	173.6	0	110.7	P302 D311 R313 R320	P302-K304 PolarHBondContact O-N 2.96Å; K304-D311 VanDerWaalsContact CE-OD1 3.23Å; K304-D311 WeakPolarHBondContact CE-OD1 3.33Å; K304-D311 IonicContact NZ-OD1 2.8Å; K304-D311 PolarHBondContact NZ-OD1 3.35Å; K304-R313 HydrophobicContact CB-CG 4.49Å; K304-R313 HydrophobicContact CG-CG 4.37Å; K304-R320 WeakPolarHBondContact O-CD 3.03Å
305	C	89.2	Confident	82.5	Confident	8 Å²	8	75.4 Å²	75.4	5%	0.054	41%	0.408	C	S	.	.			trans	-61.7	137.8	166.2	-165.7	0	0	0	0	110.1	F307 C310 R312 H323 H327	C305-F307 VanDerWaalsContact C-N 3.34Å; C305-C310 HydrophobicContact CB-CB 4.03Å; C305-R312 PolarHBondContact N-O 2.85Å; C305-H323 PolarHBondContact SG-CD2 2.78Å; C305-H327 VanDerWaalsContact SG-CD2 3.55Å; C305-H327 PolarHBondContact SG-NE2 2.99Å; C305-H327 VanDerWaalsContact SG-NE2 3.44Å
306	E	86.7	Confident	82.8	Confident	177 Å²	177	74.3 Å²	74.3	83%	0.827	41%	0.405	S	S	*	.			trans	-85.4	-11.2	-176.1	-168.6	169.8	-178.8	0	0	112.6	S308	E306-S308 PolarHBondContact O-N 2.73Å
307	F	84.9	Confident	83.5	Confident	104 Å²	104	73 Å²	73	46%	0.456	40%	0.4	S	S	.	.	S	Bend	trans	-71.2	120.7	178.2	-171.3	-97.1	0	0	0	111	C305 G309 C310 H327	C305-F307 VanDerWaalsContact C-N 3.34Å; F307-G309 PolarHBondContact O-N 3.47Å; F307-C310 HydrophobicContact CB-CB 4.25Å; F307-C310 HydrophobicContact CD1-CB 4.31Å; F307-C310 PolarHBondContact O-N 3.25Å; F307-H327 HydrophobicContact CB-CB 4.2Å; F307-H327 HydrophobicContact CD1-CB 4.46Å; F307-H327 AromaticContact CD1-CE1 3.67Å; F307-H327 AromaticContact CD1-CG 3.84Å; F307-H327 AromaticContact CD1-ND1 3.31Å; F307-H327 VanDerWaalsContact CD1-ND1 3.31Å; F307-H327 WeakPolarHBondContact CD1-ND1 3.46Å; F307-H327 HydrophobicContact CD2-CB 3.63Å; F307-H327 AromaticContact CD2-CG 3.84Å; F307-H327 AromaticContact CE1-ND1 3.75Å; F307-H327 HydrophobicContact CE2-CB 4.08Å; F307-H327 HydrophobicContact CG-CB 3.84Å; F307-H327 AromaticContact CG-CE1 3.99Å; F307-H327 AromaticContact CG-CG 3.48Å; F307-H327 VanDerWaalsContact CG-CG 3.48Å; F307-H327 AromaticContact CG-ND1 3.48Å; F307-H327 WeakPolarHBondContact CG-ND1 3.21Å
308	S	77.8	Confident	84.4	Confident	111 Å²	111	75.5 Å²	75.5	78%	0.776	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	107.8	174.5	54.8	0	0	0	0	110.1	E306	E306-S308 PolarHBondContact O-N 2.73Å
309	G	82.6	Confident	85.1	Confident	79 Å²	79	74.3 Å²	74.3	81%	0.814	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.4	-2.9	-173.7	0	0	0	0	0	114.4	F307	F307-G309 PolarHBondContact O-N 3.47Å
310	C	84.7	Confident	85.8	Confident	13 Å²	13	76 Å²	76	9%	0.088	40%	0.4	C	S	.	.			trans	-116.2	112.2	174.4	-169.7	0	0	0	0	112	C305 F307 R312 H323 H327	C305-C310 HydrophobicContact CB-CB 4.03Å; F307-C310 HydrophobicContact CB-CB 4.25Å; F307-C310 HydrophobicContact CD1-CB 4.31Å; F307-C310 PolarHBondContact O-N 3.25Å; C310-R312 VanDerWaalsContact C-N 3.3Å; C310-R312 PolarHBondContact O-N 3.18Å; C310-H323 PolarHBondContact SG-NE2 3.19Å; C310-H327 VanDerWaalsContact CB-CE1 3.46Å; C310-H327 WeakPolarHBondContact CB-CE1 3.47Å; C310-H327 WeakPolarHBondContact CB-NE2 3.47Å; C310-H327 PolarHBondContact SG-NE2 3.39Å
311	D	84.7	Confident	86.2	Confident	125 Å²	125	77.2 Å²	77.2	67%	0.668	40%	0.404	S	S	*	.			trans	-91.9	16.6	177.8	-68.1	-50.2	0	0	0	114.1	K304 R313	K304-D311 VanDerWaalsContact CE-OD1 3.23Å; K304-D311 WeakPolarHBondContact CE-OD1 3.33Å; K304-D311 IonicContact NZ-OD1 2.8Å; K304-D311 PolarHBondContact NZ-OD1 3.35Å; D311-R313 PolarHBondContact O-N 3.3Å
312	R	84.7	Confident	86.2	Confident	90 Å²	90	77.6 Å²	77.6	34%	0.34	41%	0.406	S	S	.	.			trans	-69.6	132.7	178.5	-71.7	-173.4	175.7	-174	1.1	111.4	C305 C310 F314 W346	C305-R312 PolarHBondContact N-O 2.85Å; C310-R312 VanDerWaalsContact C-N 3.3Å; C310-R312 PolarHBondContact O-N 3.18Å; R312-F314 HydrophobicContact CB-CE2 3.85Å; R312-F314 HydrophobicContact CB-CZ 3.92Å; R312-W346 VanDerWaalsContact NH1-CB 3.28Å
313	R	88.6	Confident	86.3	Confident	146 Å²	146	74.8 Å²	74.8	55%	0.551	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.8	176.4	-54.7	-178.9	73.9	160.2	8	110.7	K301 F303 K304 D311	K301-R313 HydrophobicContact CB-CB 3.53Å; K301-R313 HydrophobicContact CD-CB 4.26Å; K301-R313 WeakPolarHBondContact CD-O 3.41Å; K301-R313 PolarHBondContact O-NE 2.92Å; K301-R313 PolarHBondContact O-NH2 3.31Å; F303-R313 CarbonylContact O-C 3.55Å; F303-R313 VanDerWaalsContact O-CA 3.32Å; F303-R313 WeakPolarHBondContact O-CA 3.5Å; K304-R313 HydrophobicContact CB-CG 4.49Å; K304-R313 HydrophobicContact CG-CG 4.37Å; D311-R313 PolarHBondContact O-N 3.3Å
314	F	86.1	Confident	86.2	Confident	19 Å²	19	74.4 Å²	74.4	8%	0.083	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150	-175.4	-58.1	-88.5	0	0	0	111.3	K301 F303 R312 N316 D319 R320 H323 W346	K301-F314 CarbonylContact C-O 3.5Å; K301-F314 WeakPolarHBondContact CA-O 3.46Å; F303-F314 HydrophobicContact CB-CB 4.29Å; F303-F314 PolarHBondContact N-O 3.45Å; F303-F314 VanDerWaalsContact N-O 3.1Å; F303-F314 PolarHBondContact O-N 3.34Å; R312-F314 HydrophobicContact CB-CE2 3.85Å; R312-F314 HydrophobicContact CB-CZ 3.92Å; F314-N316 WeakPolarHBondContact CB-O 3.46Å; F314-D319 HydrophobicContact CD1-CB 3.95Å; F314-R320 HydrophobicContact CB-CB 4.17Å; F314-R320 HydrophobicContact CD2-CB 3.64Å; F314-R320 HydrophobicContact CD2-CG 3.94Å; F314-R320 HydrophobicContact CE2-CB 4.36Å; F314-R320 HydrophobicContact CE2-CG 4.39Å; F314-R320 HydrophobicContact CG-CB 4.02Å; F314-H323 HydrophobicContact CE1-CB 3.93Å; F314-H323 HydrophobicContact CE2-CB 3.95Å; F314-H323 AromaticContact CE2-CD2 3.41Å; F314-H323 VanDerWaalsContact CE2-CD2 3.41Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.05Å; F314-H323 AromaticContact CE2-CG 3.79Å; F314-H323 HydrophobicContact CZ-CB 3.39Å; F314-H323 AromaticContact CZ-CD2 3.34Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.44Å; F314-H323 AromaticContact CZ-CG 3.26Å; F314-H323 AromaticContact CZ-ND1 3.97Å; F314-W346 HydrophobicContact CD1-CH2 4.34Å; F314-W346 AromaticContact CE1-CH2 3.79Å; F314-W346 HydrophobicContact CE1-CH2 3.79Å; F314-W346 HydrophobicContact CE1-CZ2 4.24Å; F314-W346 AromaticContact CE1-CZ3 3.95Å; F314-W346 HydrophobicContact CE1-CZ3 3.95Å
315	A	85.9	Confident	86	Confident	19 Å²	19	71.2 Å²	71.2	16%	0.157	38%	0.378	C	S	.	.	S	Bend	trans	-78.4	-20.5	177.7	0	0	0	0	0	113	R295	R295-A315 HydrophobicContact CB-CB 4.15Å; R295-A315 VanDerWaalsContact CD-O 3.28Å; R295-A315 WeakPolarHBondContact CD-O 3.48Å; R295-A315 PolarHBondContact NH1-O 3.25Å
316	N	87.8	Confident	85.7	Confident	21 Å²	21	72.4 Å²	72.4	11%	0.112	39%	0.385	C	S	.	.	S	Bend	trans	-134.2	161.1	177.2	68.5	42.8	0	0	0	111.3	I292 F303 F314 S318 D319	I292-N316 HydrophobicContact CD1-CB 3.69Å; I292-N316 HydrophobicContact CG1-CB 3.89Å; I292-N316 HydrophobicContact CG2-CB 3.81Å; F303-N316 VanDerWaalsContact CD2-CA 3.5Å; F303-N316 WeakPolarHBondContact CD2-O 3.31Å; F314-N316 WeakPolarHBondContact CB-O 3.46Å; N316-S318 PolarHBondContact OD1-N 3.44Å; N316-D319 VanDerWaalsContact CG-OD2 3.3Å; N316-D319 VanDerWaalsContact ND2-CG 3.34Å; N316-D319 PolarHBondContact ND2-OD2 3.34Å; N316-D319 WeakPolarHBondContact OD1-CA 3.34Å; N316-D319 WeakPolarHBondContact OD1-CB 3.41Å; N316-D319 PolarHBondContact OD1-N 2.96Å; N316-D319 PolarHBondContact OD1-OD2 3.19Å; N316-D319 VanDerWaalsContact OD1-OD2 3.12Å
317	S	89.5	Confident	85.4	Confident	55 Å²	55	66.6 Å²	66.6	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-75.6	-33.2	-179.2	56.1	0	0	0	0	112.8	D319 R320 K321	S317-D319 PolarHBondContact O-N 3.46Å; S317-R320 WeakPolarHBondContact O-CB 3.41Å; S317-R320 PolarHBondContact O-N 3.36Å; S317-K321 PolarHBondContact O-N 3.34Å
318	S	88.4	Confident	85	Confident	70 Å²	70	65 Å²	65	49%	0.49	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-42.1	-179.9	-60.7	0	0	0	0	112.6	N316 K321 K322	N316-S318 PolarHBondContact OD1-N 3.44Å; S318-K321 PolarHBondContact O-N 2.73Å; S318-K322 WeakPolarHBondContact O-CG 3.42Å; S318-K322 PolarHBondContact O-N 3.44Å
319	D	86.7	Confident	84.6	Confident	53 Å²	53	65.5 Å²	65.5	28%	0.283	36%	0.355	S	S	.	.	H	α-helix	trans	-72.8	-36.9	179.3	-65.7	-20.7	0	0	0	111	F314 N316 S317 K321 K322 H323 W346	F314-D319 HydrophobicContact CD1-CB 3.95Å; N316-D319 VanDerWaalsContact CG-OD2 3.3Å; N316-D319 VanDerWaalsContact ND2-CG 3.34Å; N316-D319 PolarHBondContact ND2-OD2 3.34Å; N316-D319 WeakPolarHBondContact OD1-CA 3.34Å; N316-D319 WeakPolarHBondContact OD1-CB 3.41Å; N316-D319 PolarHBondContact OD1-N 2.96Å; N316-D319 PolarHBondContact OD1-OD2 3.19Å; N316-D319 VanDerWaalsContact OD1-OD2 3.12Å; S317-D319 PolarHBondContact O-N 3.46Å; D319-K321 VanDerWaalsContact C-N 3.32Å; D319-K321 PolarHBondContact O-N 3.49Å; D319-K322 PolarHBondContact O-N 3.31Å; D319-K322 IonicContact OD1-NZ 4Å; D319-H323 VanDerWaalsContact O-CB 3.29Å; D319-H323 WeakPolarHBondContact O-CB 3.29Å; D319-H323 PolarHBondContact O-N 3.21Å; D319-W346 HydrophobicContact CB-CH2 4.24Å
320	R	89.7	Confident	83.9	Confident	85 Å²	85	65.6 Å²	65.6	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-57.8	-45.1	169	-176.5	-158.6	58.5	179	4.3	111.1	F303 K304 F314 S317 H323 S324	F303-R320 HydrophobicContact CB-CB 4.22Å; K304-R320 WeakPolarHBondContact O-CD 3.03Å; F314-R320 HydrophobicContact CB-CB 4.17Å; F314-R320 HydrophobicContact CD2-CB 3.64Å; F314-R320 HydrophobicContact CD2-CG 3.94Å; F314-R320 HydrophobicContact CE2-CB 4.36Å; F314-R320 HydrophobicContact CE2-CG 4.39Å; F314-R320 HydrophobicContact CG-CB 4.02Å; S317-R320 WeakPolarHBondContact O-CB 3.41Å; S317-R320 PolarHBondContact O-N 3.36Å; R320-H323 WeakPolarHBondContact O-CB 3.5Å; R320-H323 PolarHBondContact O-N 2.87Å; R320-S324 PolarHBondContact O-N 3.12Å
321	K	86.9	Confident	83.2	Confident	141 Å²	141	69.6 Å²	69.6	61%	0.613	35%	0.353	S	S	*	.	H	α-helix	trans	-67	-39.5	178.7	-171.7	175.7	-177.9	177.1	0	112.2	S317 S318 D319 H323 S324 H325	S317-K321 PolarHBondContact O-N 3.34Å; S318-K321 PolarHBondContact O-N 2.73Å; D319-K321 VanDerWaalsContact C-N 3.32Å; D319-K321 PolarHBondContact O-N 3.49Å; K321-H323 VanDerWaalsContact C-N 3.25Å; K321-H323 PolarHBondContact O-N 3.43Å; K321-S324 PolarHBondContact O-N 2.64Å; K321-S324 PolarHBondContact O-OG 2.92Å; K321-H325 PolarHBondContact O-CD2 2.91Å; K321-H325 VanDerWaalsContact O-CD2 3.29Å
322	K	84.9	Confident	82.5	Confident	89 Å²	89	66.1 Å²	66.1	39%	0.387	34%	0.337	S	S	.	.	H	α-helix	trans	-62.4	-37.6	171.9	-72.2	173.2	-173.6	171.3	0	111.6	S318 D319 W346	S318-K322 WeakPolarHBondContact O-CG 3.42Å; S318-K322 PolarHBondContact O-N 3.44Å; D319-K322 PolarHBondContact O-N 3.31Å; D319-K322 IonicContact OD1-NZ 4Å; K322-W346 HydrophobicContact CB-CZ2 4.43Å
323	H	87.4	Confident	81.7	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.009	34%	0.34	C	S	.	.	H	α-helix	trans	-68.7	-31.4	177.1	172.6	62.6	0	0	0	113.3	C305 C310 F314 D319 R320 K321 H325 V326 H327 W346	C305-H323 PolarHBondContact SG-CD2 2.78Å; C310-H323 PolarHBondContact SG-NE2 3.19Å; F314-H323 HydrophobicContact CE1-CB 3.93Å; F314-H323 HydrophobicContact CE2-CB 3.95Å; F314-H323 AromaticContact CE2-CD2 3.41Å; F314-H323 VanDerWaalsContact CE2-CD2 3.41Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.05Å; F314-H323 AromaticContact CE2-CG 3.79Å; F314-H323 HydrophobicContact CZ-CB 3.39Å; F314-H323 AromaticContact CZ-CD2 3.34Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.44Å; F314-H323 AromaticContact CZ-CG 3.26Å; F314-H323 AromaticContact CZ-ND1 3.97Å; D319-H323 VanDerWaalsContact O-CB 3.29Å; D319-H323 WeakPolarHBondContact O-CB 3.29Å; D319-H323 PolarHBondContact O-N 3.21Å; R320-H323 WeakPolarHBondContact O-CB 3.5Å; R320-H323 PolarHBondContact O-N 2.87Å; K321-H323 VanDerWaalsContact C-N 3.25Å; K321-H323 PolarHBondContact O-N 3.43Å; H323-H325 PolarHBondContact O-N 3.13Å; H323-V326 WeakPolarHBondContact O-CB 3.48Å; H323-V326 VanDerWaalsContact O-CG2 3.25Å; H323-V326 WeakPolarHBondContact O-CG2 3.25Å; H323-V326 PolarHBondContact O-N 2.88Å; H323-H327 AromaticContact CE1-NE2 3.6Å; H323-H327 AromaticContact NE2-CD2 3.91Å; H323-H327 AromaticContact NE2-NE2 3.19Å; H323-H327 PolarHBondContact NE2-NE2 2.75Å; H323-H327 VanDerWaalsContact NE2-NE2 3.19Å; H323-W346 HydrophobicContact CB-CZ2 3.9Å
324	S	84.4	Confident	81	Confident	48 Å²	48	67.4 Å²	67.4	34%	0.336	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-25.8	178.6	58.5	0	0	0	0	113.4	R320 K321 V326 H327 T328	R320-S324 PolarHBondContact O-N 3.12Å; K321-S324 PolarHBondContact O-N 2.64Å; K321-S324 PolarHBondContact O-OG 2.92Å; S324-V326 PolarHBondContact O-N 3.16Å; S324-V326 VanDerWaalsContact O-N 3.13Å; S324-H327 PolarHBondContact O-N 3.29Å; S324-T328 PolarHBondContact O-N 3.41Å; S324-T328 VanDerWaalsContact O-N 3.16Å
325	H	84.1	Confident	80.5	Confident	40 Å²	40	68.7 Å²	68.7	19%	0.185	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.4	170.8	-59.2	-71.6	0	0	0	114.1	K321 H323 T328 D330 P332	K321-H325 PolarHBondContact O-CD2 2.91Å; K321-H325 VanDerWaalsContact O-CD2 3.29Å; H323-H325 PolarHBondContact O-N 3.13Å; H325-T328 CarbonylContact C-O 3.53Å; H325-T328 WeakPolarHBondContact CA-OG1 3.38Å; H325-D330 IonicContact ND1-OD2 3.97Å; H325-P332 HydrophobicContact CB-CG 4.44Å
326	V	82.4	Confident	79.9	Confident	33 Å²	33	78.3 Å²	78.3	20%	0.2	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-29.2	168.3	-173.5	0	0	0	0	110.3	H323 S324 R343 W346	H323-V326 WeakPolarHBondContact O-CB 3.48Å; H323-V326 VanDerWaalsContact O-CG2 3.25Å; H323-V326 WeakPolarHBondContact O-CG2 3.25Å; H323-V326 PolarHBondContact O-N 2.88Å; S324-V326 PolarHBondContact O-N 3.16Å; S324-V326 VanDerWaalsContact O-N 3.13Å; V326-R343 PolarHBondContact O-NH2 3.19Å; V326-W346 HydrophobicContact CG2-CG 4.35Å
327	H	82.3	Confident	79.2	Confident	56 Å²	56	81.2 Å²	81.2	26%	0.259	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-37.8	178.8	-65.4	-64.9	0	0	0	111.6	C305 F307 C310 H323 S324	C305-H327 VanDerWaalsContact SG-CD2 3.55Å; C305-H327 PolarHBondContact SG-NE2 2.99Å; C305-H327 VanDerWaalsContact SG-NE2 3.44Å; F307-H327 HydrophobicContact CB-CB 4.2Å; F307-H327 HydrophobicContact CD1-CB 4.46Å; F307-H327 AromaticContact CD1-CE1 3.67Å; F307-H327 AromaticContact CD1-CG 3.84Å; F307-H327 AromaticContact CD1-ND1 3.31Å; F307-H327 VanDerWaalsContact CD1-ND1 3.31Å; F307-H327 WeakPolarHBondContact CD1-ND1 3.46Å; F307-H327 HydrophobicContact CD2-CB 3.63Å; F307-H327 AromaticContact CD2-CG 3.84Å; F307-H327 AromaticContact CE1-ND1 3.75Å; F307-H327 HydrophobicContact CE2-CB 4.08Å; F307-H327 HydrophobicContact CG-CB 3.84Å; F307-H327 AromaticContact CG-CE1 3.99Å; F307-H327 AromaticContact CG-CG 3.48Å; F307-H327 VanDerWaalsContact CG-CG 3.48Å; F307-H327 AromaticContact CG-ND1 3.48Å; F307-H327 WeakPolarHBondContact CG-ND1 3.21Å; C310-H327 VanDerWaalsContact CB-CE1 3.46Å; C310-H327 WeakPolarHBondContact CB-CE1 3.47Å; C310-H327 WeakPolarHBondContact CB-NE2 3.47Å; C310-H327 PolarHBondContact SG-NE2 3.39Å; H323-H327 AromaticContact CE1-NE2 3.6Å; H323-H327 AromaticContact NE2-CD2 3.91Å; H323-H327 AromaticContact NE2-NE2 3.19Å; H323-H327 PolarHBondContact NE2-NE2 2.75Å; H323-H327 VanDerWaalsContact NE2-NE2 3.19Å; S324-H327 PolarHBondContact O-N 3.29Å
328	T	75.2	Confident	78.2	Confident	71 Å²	71	85 Å²	85	44%	0.436	43%	0.425	S	S	.	.	S	Bend	trans	-80.1	140.6	170.3	59.8	0	0	0	0	109.2	S324 H325 D330	S324-T328 PolarHBondContact O-N 3.41Å; S324-T328 VanDerWaalsContact O-N 3.16Å; H325-T328 CarbonylContact C-O 3.53Å; H325-T328 WeakPolarHBondContact CA-OG1 3.38Å; T328-D330 PolarHBondContact O-N 3.29Å
329	T	68.9	Low	77.3	Confident	121 Å²	121	84.6 Å²	84.6	74%	0.742	43%	0.432	S	S	*	.			trans	-69.3	16.5	172.5	-40.5	0	0	0	0	112.1
330	D	68.6	Low	76.5	Confident	80 Å²	80	88.9 Å²	88.9	43%	0.428	45%	0.448	S	S	.	.			trans	-74.8	130.4	-176.6	-164.6	4.6	0	0	0	109.6	H325 T328 P332	H325-D330 IonicContact ND1-OD2 3.97Å; T328-D330 PolarHBondContact O-N 3.29Å; D330-P332 VanDerWaalsContact C-CD 3.42Å; D330-P332 WeakPolarHBondContact O-CD 3.16Å
331	K	70.4	Confident	75.5	Confident	98 Å²	98	93.2 Å²	93.2	43%	0.426	47%	0.465	S	S	.	.			trans	-113.3	78.7	179	-61.7	-179	-178.5	179.6	0	107.3	Y333 R341 R343	K331-Y333 PolarHBondContact O-N 3.08Å; K331-R341 HydrophobicContact CB-CB 3.68Å; K331-R341 HydrophobicContact CD-CB 3.77Å; K331-R341 HydrophobicContact CG-CB 4.39Å; K331-R343 HydrophobicContact CG-CB 4.22Å
332	P	69	Low	74.7	Confident	51 Å²	51	91.1 Å²	91.1	33%	0.331	46%	0.459	S	S	.	.			trans	-71.3	-13.5	-170.2	28	-35.9	0	0	0	113.2	H325 D330	H325-P332 HydrophobicContact CB-CG 4.44Å; D330-P332 VanDerWaalsContact C-CD 3.42Å; D330-P332 WeakPolarHBondContact O-CD 3.16Å
333	Y	69.6	Low	73.8	Confident	102 Å²	102	92 Å²	92	40%	0.4	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.6	-179.1	-56.6	-72.6	0	0	0	109.9	K331 R341 I342 M344	K331-Y333 PolarHBondContact O-N 3.08Å; Y333-R341 CarbonylContact O-C 3.52Å; Y333-R341 WeakPolarHBondContact O-CA 3.44Å; Y333-I342 PolarHBondContact O-N 3.2Å; Y333-M344 HydrophobicContact CD2-CG 3.99Å; Y333-M344 HydrophobicContact CE2-CG 3.47Å; Y333-M344 VanDerWaalsContact CE2-CG 3.47Å; Y333-M344 HydrophobicContact CE2-SD 4.01Å
334	Y	73.2	Confident	72.7	Confident	161 Å²	161	95.1 Å²	95.1	63%	0.631	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	136.1	172.6	70.3	-84.8	0	0	0	109.6	R336 F340	Y334-R336 HydrophobicContact CE2-CB 4.31Å; Y334-F340 WeakPolarHBondContact CA-O 3.5Å
335	C	75.6	Confident	71.9	Confident	46 Å²	46	98.9 Å²	98.9	31%	0.311	50%	0.496	S	S	.	.			trans	-79.2	119.8	168.8	-175.7	0	0	0	0	108.5	A337 G339 F340	C335-A337 VanDerWaalsContact C-N 3.29Å; C335-A337 PolarHBondContact O-N 3.5Å; C335-G339 WeakPolarHBondContact O-CA 3.32Å; C335-G339 PolarHBondContact O-N 3.32Å; C335-F340 PolarHBondContact N-O 2.79Å
336	R	72.3	Confident	71	Confident	221 Å²	221	100.9 Å²	100.9	83%	0.834	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.9	178	-177.8	175.8	-109.3	-172.7	-3	112.8	Y334	Y334-R336 HydrophobicContact CE2-CB 4.31Å
337	A	74.4	Confident	69.9	Low	82 Å²	82	108.1 Å²	108.1	68%	0.678	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-36.1	-177.1	0	0	0	0	0	112.9	C335	C335-A337 VanDerWaalsContact C-N 3.29Å; C335-A337 PolarHBondContact O-N 3.5Å
338	E	68.3	Low	68.3	Low	135 Å²	135	115.4 Å²	115.4	63%	0.631	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	5	-167.1	-61.8	-63.8	150.3	0	0	113.3	F340	E338-F340 HydrophobicContact CB-CD2 3.45Å; E338-F340 VanDerWaalsContact CB-CD2 3.45Å; E338-F340 HydrophobicContact CB-CE2 3.64Å; E338-F340 VanDerWaalsContact O-CD2 3.29Å; E338-F340 WeakPolarHBondContact O-CD2 3.46Å; E338-F340 WeakPolarHBondContact O-CE2 3.29Å; E338-F340 PolarHBondContact O-N 2.87Å
339	G	69.1	Low	66.7	Low	61 Å²	61	119.3 Å²	119.3	63%	0.629	57%	0.57	S	S	*	*			trans	70.1	-3.6	176.7	0	0	0	0	0	116.1	C335	C335-G339 WeakPolarHBondContact O-CA 3.32Å; C335-G339 PolarHBondContact O-N 3.32Å
340	F	70.4	Confident	64.9	Low	143 Å²	143	121.6 Å²	121.6	63%	0.627	57%	0.571	S	S	*	*			trans	-71.4	134	-178.8	-62.7	-70.8	0	0	0	112.8	Y334 C335 E338	Y334-F340 WeakPolarHBondContact CA-O 3.5Å; C335-F340 PolarHBondContact N-O 2.79Å; E338-F340 HydrophobicContact CB-CD2 3.45Å; E338-F340 VanDerWaalsContact CB-CD2 3.45Å; E338-F340 HydrophobicContact CB-CE2 3.64Å; E338-F340 VanDerWaalsContact O-CD2 3.29Å; E338-F340 WeakPolarHBondContact O-CD2 3.46Å; E338-F340 WeakPolarHBondContact O-CE2 3.29Å; E338-F340 PolarHBondContact O-N 2.87Å
341	R	68.1	Low	63.1	Low	176 Å²	176	124.5 Å²	124.5	66%	0.664	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.2	128.8	169.3	-61	-168.9	-175.2	-169.6	2.5	110.7	K331 Y333	K331-R341 HydrophobicContact CB-CB 3.68Å; K331-R341 HydrophobicContact CD-CB 3.77Å; K331-R341 HydrophobicContact CG-CB 4.39Å; Y333-R341 CarbonylContact O-C 3.52Å; Y333-R341 WeakPolarHBondContact O-CA 3.44Å
342	I	69.7	Low	61.2	Low	98 Å²	98	129.2 Å²	129.2	50%	0.503	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.9	132.7	-176	-53	173.2	0	0	0	109.5	Y333	Y333-I342 PolarHBondContact O-N 3.2Å
343	R	66.6	Low	60.8	Low	108 Å²	108	133.1 Å²	133.1	41%	0.408	64%	0.635	S	S	.	*			trans	-94.2	139.5	169.6	-170.3	-179.1	-179	-173.8	2.5	109.4	V326 K331 V345	V326-R343 PolarHBondContact O-NH2 3.19Å; K331-R343 HydrophobicContact CG-CB 4.22Å; R343-V345 PolarHBondContact O-N 2.86Å
344	M	65.1	Low	60.3	Low	67 Å²	67	134.7 Å²	134.7	33%	0.33	65%	0.648	S	S	.	*			trans	-70.4	119.7	169.2	-71.1	-77.3	-85.5	0	0	109.4	Y333	Y333-M344 HydrophobicContact CD2-CG 3.99Å; Y333-M344 HydrophobicContact CE2-CG 3.47Å; Y333-M344 VanDerWaalsContact CE2-CG 3.47Å; Y333-M344 HydrophobicContact CE2-SD 4.01Å
345	V	67.7	Low	59.6	Low	127 Å²	127	133.3 Å²	133.3	77%	0.77	65%	0.649	S	S	*	*			trans	-105.6	118.9	169.8	-177.4	0	0	0	0	107.8	R343	R343-V345 PolarHBondContact O-N 2.86Å
346	W	64.5	Low	58.7	Low	81 Å²	81	138.4 Å²	138.4	31%	0.307	67%	0.669	S	S	.	*			trans	-83	122.4	175.1	-75.5	68	0	0	0	109.3	R312 F314 D319 K322 H323 V326 R348	R312-W346 VanDerWaalsContact NH1-CB 3.28Å; F314-W346 HydrophobicContact CD1-CH2 4.34Å; F314-W346 AromaticContact CE1-CH2 3.79Å; F314-W346 HydrophobicContact CE1-CH2 3.79Å; F314-W346 HydrophobicContact CE1-CZ2 4.24Å; F314-W346 AromaticContact CE1-CZ3 3.95Å; F314-W346 HydrophobicContact CE1-CZ3 3.95Å; D319-W346 HydrophobicContact CB-CH2 4.24Å; K322-W346 HydrophobicContact CB-CZ2 4.43Å; H323-W346 HydrophobicContact CB-CZ2 3.9Å; V326-W346 HydrophobicContact CG2-CG 4.35Å; W346-R348 PolarHBondContact O-N 3.08Å
347	K	58	Low	57.8	Low	186 Å²	186	133.3 Å²	133.3	81%	0.809	66%	0.658	S	S	*	*			trans	-55.3	131	168.8	-69.1	-175.3	179.5	-179.1	0	108.2	E349	K347-E349 VanDerWaalsContact C-N 3.29Å; K347-E349 PolarHBondContact O-N 2.99Å
348	R	50	Low	56.7	Low	208 Å²	208	136.7 Å²	136.7	79%	0.785	66%	0.657	S	S	*	*			trans	-66.9	95.4	167.1	-73.1	-173.5	-164.1	164.7	4.4	106.6	W346 H350	W346-R348 PolarHBondContact O-N 3.08Å; R348-H350 PolarHBondContact O-N 3.01Å; R348-H350 VanDerWaalsContact O-N 3.12Å
349	E	41.7	Very low	55.9	Low	154 Å²	154	136.8 Å²	136.8	72%	0.72	66%	0.659	S	S	*	*			trans	-66.6	109.6	162.4	-68.6	-177.1	171.8	0	0	106.5	K347 F351	K347-E349 VanDerWaalsContact C-N 3.29Å; K347-E349 PolarHBondContact O-N 2.99Å; E349-F351 PolarHBondContact O-N 3.46Å; E349-F351 VanDerWaalsContact O-N 3.13Å
350	H	31.2	Very low	54.9	Low	168 Å²	168	142.6 Å²	142.6	78%	0.778	66%	0.661	S	S	*	*			trans	-65.3	108.1	165.5	-77.7	33.1	0	0	0	106.2	R348	R348-H350 PolarHBondContact O-N 3.01Å; R348-H350 VanDerWaalsContact O-N 3.12Å
351	F	29.8	Very low	53.6	Low	142 Å²	142	142.6 Å²	142.6	62%	0.623	66%	0.664	S	S	*	*			trans	-69.8	128.7	161.7	-85.9	-92.7	0	0	0	106.9	K301 E349	K301-F351 VanDerWaalsContact NZ-CZ 3.27Å; E349-F351 PolarHBondContact O-N 3.46Å; E349-F351 VanDerWaalsContact O-N 3.13Å
352	P	31	Very low	52.3	Low	196 Å²	196	139.5 Å²	139.5	100%	1.273	66%	0.664	S	S	*	*			trans	-65.7	0	172.9	29.5	-34.1	0	0	0	111.9

Retrieved 352 of 352 residues in 132.1 ms (Link to these results)

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