A0A5K4F621_SCHMA Loading...

GATA-binding transcription factor

AlphaFold DB , UniProt , Accession A0A5K4F621, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	29.8	Very low	229 Å²	229	184.3 Å²	184.3	100%	1.128	87%	0.867	S	S	*	*				0	106.1	0	-78	178	169.6	0	0	107.4
2	N	35.1	Very low	29.6	Very low	170 Å²	170	180.6 Å²	180.6	91%	0.909	87%	0.866	S	S	*	*			trans	-113.3	103.6	170.4	-83.6	-10.9	0	0	0	107.1	Q4	N2-Q4 PolarHBondContact O-N 3.36Å
3	Q	35.4	Very low	29.2	Very low	180 Å²	180	176.1 Å²	176.1	84%	0.841	86%	0.857	S	S	*	*			trans	-73.9	114.6	176.1	-65	175.7	2.8	0	0	107.6	E5	Q3-E5 PolarHBondContact O-N 3.41Å
4	Q	36.2	Very low	28.9	Very low	192 Å²	192	173.8 Å²	173.8	90%	0.897	84%	0.844	S	S	*	*			trans	-73.2	110	163.7	-94.1	174.1	-19.5	0	0	107	N2	N2-Q4 PolarHBondContact O-N 3.36Å
5	E	30.9	Very low	28.9	Very low	174 Å²	174	174.3 Å²	174.3	81%	0.813	85%	0.851	S	S	*	*			trans	-63.3	137.1	169	-79	-155.5	151.5	0	0	110	Q3	Q3-E5 PolarHBondContact O-N 3.41Å
6	P	30.3	Very low	28.6	Very low	109 Å²	109	174.2 Å²	174.2	71%	0.708	85%	0.845	S	S	*	*			trans	-67.9	134.1	177.1	25.9	-31.2	0	0	0	111.1	N8	P6-N8 PolarHBondContact O-N 3.16Å; P6-N8 VanDerWaalsContact O-N 3.16Å
7	F	29.7	Very low	28.7	Very low	202 Å²	202	170.3 Å²	170.3	89%	0.886	84%	0.84	S	S	*	*			trans	-63.5	111.3	174	-79	-93.3	0	0	0	110.6
8	N	23.3	Very low	28.7	Very low	137 Å²	137	165.8 Å²	165.8	73%	0.733	83%	0.834	S	S	*	*			trans	-87.5	122.5	169.3	-84.8	-36.3	0	0	0	110.4	P6 Y10	P6-N8 PolarHBondContact O-N 3.16Å; P6-N8 VanDerWaalsContact O-N 3.16Å; N8-Y10 PolarHBondContact O-N 3.09Å
9	Y	27.2	Very low	28.5	Very low	230 Å²	230	164.2 Å²	164.2	90%	0.902	83%	0.833	S	S	*	*			trans	-73.3	116.1	168.3	-75.3	-93.9	0	0	0	109.2	Q11	Y9-Q11 PolarHBondContact O-N 3.25Å
10	Y	24.3	Very low	28.5	Very low	223 Å²	223	166.8 Å²	166.8	88%	0.875	83%	0.834	S	S	*	*			trans	-73.4	110.8	168.3	-72.7	-83.7	0	0	0	109.4	N8 T12	N8-Y10 PolarHBondContact O-N 3.09Å; Y10-T12 PolarHBondContact O-N 3.27Å
11	Q	26.1	Very low	28.3	Very low	181 Å²	181	164.4 Å²	164.4	85%	0.846	83%	0.834	S	S	*	*			trans	-67.1	110.3	167	-174.2	174.9	5.9	0	0	108.2	Y9 T13	Y9-Q11 PolarHBondContact O-N 3.25Å; Q11-T13 PolarHBondContact O-N 3.41Å; Q11-T13 VanDerWaalsContact O-N 3.09Å
12	T	27.6	Very low	28.1	Very low	140 Å²	140	160.4 Å²	160.4	86%	0.859	82%	0.817	S	S	*	*			trans	-69.6	107	176.4	45	0	0	0	0	110.1	Y10	Y10-T12 PolarHBondContact O-N 3.27Å
13	T	24	Very low	27.7	Very low	122 Å²	122	159.4 Å²	159.4	75%	0.748	81%	0.811	S	S	*	*			trans	-73.6	134.9	172.8	-21.9	0	0	0	0	110.7	Q11	Q11-T13 PolarHBondContact O-N 3.41Å; Q11-T13 VanDerWaalsContact O-N 3.09Å
14	Q	24.4	Very low	27.2	Very low	144 Å²	144	155.3 Å²	155.3	67%	0.673	80%	0.802	S	S	*	*			trans	79.4	90	160.2	-48.3	-168.4	9.5	0	0	119
15	L	29.2	Very low	26.9	Very low	181 Å²	181	154.6 Å²	154.6	95%	0.948	80%	0.803	S	S	*	*			trans	-98.3	102.5	135.9	-86.6	162.4	0	0	0	107.6
16	K	24.7	Very low	26.6	Very low	173 Å²	173	152.6 Å²	152.6	75%	0.752	80%	0.798	S	S	*	*			trans	-62.4	132	170.9	-80.4	174.3	174.9	174.8	0	109.4	A18	K16-A18 PolarHBondContact O-N 3.49Å
17	S	30.4	Very low	26.4	Very low	108 Å²	108	153.5 Å²	153.5	76%	0.755	80%	0.797	S	S	*	*			trans	-18.9	117.8	164.7	53	0	0	0	0	115.9
18	A	28.5	Very low	26.3	Very low	89 Å²	89	151.5 Å²	151.5	74%	0.736	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-84.4	118.5	155.5	0	0	0	0	0	108.1	K16 Y20	K16-A18 PolarHBondContact O-N 3.49Å; A18-Y20 PolarHBondContact O-N 3.13Å
19	T	25	Very low	26.6	Very low	135 Å²	135	153.6 Å²	153.6	83%	0.828	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68	122.5	176.4	-42.4	0	0	0	0	109.2	S21	T19-S21 PolarHBondContact O-N 3.45Å
20	Y	28	Very low	26.5	Very low	217 Å²	217	146.9 Å²	146.9	85%	0.851	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.7	123	174.8	-65.6	-91	0	0	0	109.6	A18	A18-Y20 PolarHBondContact O-N 3.13Å
21	S	24.8	Very low	26.6	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-98.2	117.4	163.5	59	0	0	0	0	108.7	T19	T19-S21 PolarHBondContact O-N 3.45Å
22	D	25.6	Very low	26.7	Very low	144 Å²	144	141.6 Å²	141.6	77%	0.77	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-48.6	133.5	174.4	-61.9	-60.1	0	0	0	112.9
23	N	25.2	Very low	26.6	Very low	150 Å²	150	140.1 Å²	140.1	80%	0.802	78%	0.778	S	S	*	*				-171.4	115.2	121.8	-92.4	-28.7	0	0	0	112.4
24	S	25.3	Very low	27.2	Very low	93 Å²	93	139.8 Å²	139.8	65%	0.65	78%	0.781	S	S	*	*	S	Bend	trans	48	94.6	146.6	69.1	0	0	0	0	118.3
25	I	29.9	Very low	27.7	Very low	178 Å²	178	138.5 Å²	138.5	91%	0.913	79%	0.785	S	S	*	*				-143.6	94.1	98.4	-78.4	150.2	0	0	0	104.8
26	N	24.9	Very low	27.9	Very low	132 Å²	132	135.6 Å²	135.6	71%	0.706	77%	0.774	S	S	*	*			trans	-79.8	145.9	173.7	-83.1	-30.8	0	0	0	109.7
27	N	27.1	Very low	28.1	Very low	127 Å²	127	135.1 Å²	135.1	68%	0.679	78%	0.78	S	S	*	*			trans	79.8	123.4	147.9	-64	-15.9	0	0	0	116.5
28	H	26.3	Very low	28.1	Very low	161 Å²	161	136.6 Å²	136.6	75%	0.745	78%	0.778	S	S	*	*			cis	-152.3	109.4	24.8	-77.9	-84.9	0	0	0	110.6
29	L	30.5	Very low	28.1	Very low	180 Å²	180	137.1 Å²	137.1	94%	0.942	77%	0.774	S	S	*	*			trans	-138	91.7	140.6	-153.7	72.6	0	0	0	107	T31	L29-T31 PolarHBondContact O-N 3.3Å
30	S	25.6	Very low	28.4	Very low	89 Å²	89	136.5 Å²	136.5	62%	0.622	77%	0.77	S	S	*	*			trans	-56.7	121.6	-179.2	40.9	0	0	0	0	111.7	I32	S30-I32 PolarHBondContact O-N 3.14Å
31	T	26.7	Very low	28.7	Very low	131 Å²	131	134 Å²	134	80%	0.804	76%	0.764	S	S	*	*			trans	39.5	78.1	136.9	57.1	0	0	0	0	115.9	L29	L29-T31 PolarHBondContact O-N 3.3Å
32	I	26.8	Very low	29	Very low	162 Å²	162	135.8 Å²	135.8	83%	0.831	76%	0.763	S	S	*	*			trans	-95.7	116.3	147.5	-58.2	175.9	0	0	0	106.3	S30 S34	S30-I32 PolarHBondContact O-N 3.14Å; I32-S34 PolarHBondContact O-N 3.17Å
33	S	26.7	Very low	29.2	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	75%	0.748	S	S	*	*			trans	-52.1	128.9	171.5	-39.3	0	0	0	0	110
34	S	34.7	Very low	29.5	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	74%	0.74	S	S	*	*			trans	-39.2	148.7	167.3	-68	0	0	0	0	112.2	I32	I32-S34 PolarHBondContact O-N 3.17Å
35	P	36.8	Very low	30.1	Very low	118 Å²	118	130.9 Å²	130.9	77%	0.766	74%	0.74	S	S	*	*				-150.7	171.8	57.6	38	-16.5	0	0	0	115.6
36	V	31.7	Very low	30	Very low	119 Å²	119	128 Å²	128	72%	0.721	73%	0.727	S	S	*	*			trans	160.1	127.1	135.6	162.5	0	0	0	0	105.4	I38	V36-I38 VanDerWaalsContact C-N 3.25Å; V36-I38 PolarHBondContact O-N 3.39Å
37	N	30.2	Very low	30.3	Very low	164 Å²	164	132.6 Å²	132.6	88%	0.877	74%	0.736	S	S	*	*			trans	-55.6	83.9	177.1	-66.3	-40.7	0	0	0	110.7	P39	N37-P39 VanDerWaalsContact O-CD 3.25Å; N37-P39 WeakPolarHBondContact O-CD 3.46Å
38	I	30.7	Very low	30.3	Very low	138 Å²	138	132.9 Å²	132.9	71%	0.708	74%	0.737	S	S	*	*			trans	-71.7	117	168.7	-59.2	177.5	0	0	0	105.8	V36 T40	V36-I38 VanDerWaalsContact C-N 3.25Å; V36-I38 PolarHBondContact O-N 3.39Å; I38-T40 PolarHBondContact O-N 2.94Å; I38-T40 PolarHBondContact O-OG1 3.17Å
39	P	27.8	Very low	30.4	Very low	100 Å²	100	130.8 Å²	130.8	65%	0.649	74%	0.736	S	S	*	*			trans	-58.8	113.5	175.5	-18.6	31.3	0	0	0	108.3	N37 F41	N37-P39 VanDerWaalsContact O-CD 3.25Å; N37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-F41 PolarHBondContact O-N 2.67Å
40	T	31.7	Very low	30.5	Very low	123 Å²	123	127.6 Å²	127.6	76%	0.755	72%	0.719	S	S	*	*			trans	-81.8	117.9	177.1	-46.9	0	0	0	0	107.6	I38 I42	I38-T40 PolarHBondContact O-N 2.94Å; I38-T40 PolarHBondContact O-OG1 3.17Å; T40-I42 PolarHBondContact O-N 2.68Å
41	F	34.2	Very low	30.5	Very low	165 Å²	165	129.5 Å²	129.5	72%	0.724	72%	0.722	S	S	*	*			trans	-73.9	107.7	177.1	-65.7	-88.6	0	0	0	108.8	P39 D43	P39-F41 PolarHBondContact O-N 2.67Å; F41-D43 PolarHBondContact O-N 3.03Å
42	I	29.7	Very low	30.6	Very low	153 Å²	153	130.7 Å²	130.7	79%	0.785	72%	0.723	S	S	*	*			trans	-86	109.4	174.4	-48.4	175	0	0	0	107	T40 S44	T40-I42 PolarHBondContact O-N 2.68Å; I42-S44 PolarHBondContact O-N 2.96Å
43	D	30.4	Very low	30.8	Very low	88 Å²	88	128 Å²	128	47%	0.471	71%	0.71	S	S	.	*			trans	-68.6	114	166.7	-175.2	-12	0	0	0	108.2	F41 T45	F41-D43 PolarHBondContact O-N 3.03Å; D43-T45 VanDerWaalsContact C-N 3.25Å; D43-T45 PolarHBondContact O-N 2.94Å; D43-T45 PolarHBondContact OD1-N 3.13Å; D43-T45 PolarHBondContact OD1-OG1 2.84Å; D43-T45 PolarHBondContact OD2-OG1 2.99Å
44	S	31.5	Very low	30.9	Very low	88 Å²	88	128.3 Å²	128.3	62%	0.615	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-1.4	-177.9	54.7	0	0	0	0	113.7	I42	I42-S44 PolarHBondContact O-N 2.96Å
45	T	37.3	Very low	30.6	Very low	108 Å²	108	127.8 Å²	127.8	66%	0.663	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-12.9	-178.7	61.2	0	0	0	0	113.9	D43	D43-T45 VanDerWaalsContact C-N 3.25Å; D43-T45 PolarHBondContact O-N 2.94Å; D43-T45 PolarHBondContact OD1-N 3.13Å; D43-T45 PolarHBondContact OD1-OG1 2.84Å; D43-T45 PolarHBondContact OD2-OG1 2.99Å
46	N	29.4	Very low	30.5	Very low	118 Å²	118	127.4 Å²	127.4	63%	0.631	70%	0.7	S	S	*	*			trans	-140.4	113.2	170.2	-83.8	-46.2	0	0	0	110.5	N48	N46-N48 PolarHBondContact O-N 3.48Å
47	Y	30.8	Very low	30.4	Very low	229 Å²	229	127.2 Å²	127.2	90%	0.898	69%	0.694	S	S	*	*			trans	-62.6	17.6	172.3	-90.8	-88.2	0	0	0	114.6
48	N	26.2	Very low	30.3	Very low	133 Å²	133	126.6 Å²	126.6	71%	0.711	69%	0.69	S	S	*	*	S	Bend	trans	-96.2	105.4	167.9	-77.8	-18.3	0	0	0	108.2	N46 I50	N46-N48 PolarHBondContact O-N 3.48Å; N48-I50 PolarHBondContact O-N 3.45Å
49	T	29.2	Very low	30.1	Very low	117 Å²	117	124.1 Å²	124.1	72%	0.718	69%	0.685	S	S	*	*			trans	-39	111.3	165.8	-24.1	0	0	0	0	108.5	N51	T49-N51 PolarHBondContact O-N 3.43Å
50	I	31.8	Very low	30	Very low	113 Å²	113	127.2 Å²	127.2	58%	0.579	69%	0.691	S	S	*	*			trans	-71.9	73.5	176.6	-61.1	169.2	0	0	0	106.9	N48 N52 I53	N48-I50 PolarHBondContact O-N 3.45Å; I50-N52 PolarHBondContact O-N 2.91Å; I50-I53 HydrophobicContact CG1-CD1 4.4Å; I50-I53 HydrophobicContact CG2-CB 4.16Å; I50-I53 HydrophobicContact CG2-CD1 3.61Å; I50-I53 HydrophobicContact CG2-CG1 3.77Å
51	N	25.3	Very low	30	Very low	129 Å²	129	126.7 Å²	126.7	69%	0.69	69%	0.688	S	S	*	*			trans	-70.7	117.1	159.8	-76	-23.8	0	0	0	105.8	T49 I53	T49-N51 PolarHBondContact O-N 3.43Å; N51-I53 PolarHBondContact O-N 3.01Å
52	N	30.1	Very low	29.6	Very low	155 Å²	155	127.8 Å²	127.8	83%	0.829	69%	0.692	S	S	*	*			trans	47.9	69.5	163.8	-70.6	-15.6	0	0	0	115.6	I50 S54	I50-N52 PolarHBondContact O-N 2.91Å; N52-S54 VanDerWaalsContact C-N 3.29Å; N52-S54 PolarHBondContact O-N 3.15Å
53	I	29.6	Very low	29.6	Very low	107 Å²	107	129.3 Å²	129.3	55%	0.549	69%	0.693	S	S	.	*			trans	-84.9	86.5	156.1	-66.2	174	0	0	0	107.6	I50 N51 N55	I50-I53 HydrophobicContact CG1-CD1 4.4Å; I50-I53 HydrophobicContact CG2-CB 4.16Å; I50-I53 HydrophobicContact CG2-CD1 3.61Å; I50-I53 HydrophobicContact CG2-CG1 3.77Å; N51-I53 PolarHBondContact O-N 3.01Å; I53-N55 HydrophobicContact CG2-CB 3.34Å; I53-N55 WeakPolarHBondContact CG2-ND2 3.31Å; I53-N55 PolarHBondContact O-N 3.1Å
54	S	30.2	Very low	29.4	Very low	114 Å²	114	129.5 Å²	129.5	80%	0.797	70%	0.701	S	S	*	*			trans	-66.8	77.4	150.4	50	0	0	0	0	108.3	N52	N52-S54 VanDerWaalsContact C-N 3.29Å; N52-S54 PolarHBondContact O-N 3.15Å
55	N	27.4	Very low	29.4	Very low	104 Å²	104	130.4 Å²	130.4	56%	0.556	71%	0.708	S	S	*	*			trans	-108.2	125.5	171	-84.4	-10.1	0	0	0	110.8	I53 I57	I53-N55 HydrophobicContact CG2-CB 3.34Å; I53-N55 WeakPolarHBondContact CG2-ND2 3.31Å; I53-N55 PolarHBondContact O-N 3.1Å; N55-I57 PolarHBondContact O-N 3.36Å
56	S	34.8	Very low	29.2	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-67.2	24.8	-177.5	57.2	0	0	0	0	115.7	D58	S56-D58 VanDerWaalsContact C-N 3.26Å; S56-D58 PolarHBondContact O-N 3.41Å
57	I	29.2	Very low	29.1	Very low	115 Å²	115	133.8 Å²	133.8	59%	0.59	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-80.1	-11.5	-178.1	-61.2	174.2	0	0	0	111.6	N55 S59 E60 V61	N55-I57 PolarHBondContact O-N 3.36Å; I57-S59 PolarHBondContact O-N 3.48Å; I57-E60 PolarHBondContact O-N 3.5Å; I57-V61 HydrophobicContact CG2-CG2 4.44Å
58	D	28.7	Very low	28.9	Very low	151 Å²	151	131.2 Å²	131.2	81%	0.807	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-64.2	-5.8	171.8	-73.3	-23.4	0	0	0	114.4	S56	S56-D58 VanDerWaalsContact C-N 3.26Å; S56-D58 PolarHBondContact O-N 3.41Å
59	S	27.9	Very low	29.2	Very low	85 Å²	85	134 Å²	134	59%	0.594	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-92.8	-34.3	-180	-178.9	0	0	0	0	114.5	I57	I57-S59 PolarHBondContact O-N 3.48Å
60	E	25.4	Very low	29.2	Very low	166 Å²	166	136.7 Å²	136.7	78%	0.776	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-20	-169.7	-87.3	-174	161.4	0	0	114.9	I57 F62 K63	I57-E60 PolarHBondContact O-N 3.5Å; E60-F62 PolarHBondContact O-N 3.49Å; E60-F62 VanDerWaalsContact O-N 3.15Å; E60-K63 PolarHBondContact O-N 3.04Å
61	V	30.2	Very low	29.2	Very low	112 Å²	112	138.7 Å²	138.7	68%	0.679	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-17.7	-178.3	-174.3	0	0	0	0	112.4	I57	I57-V61 HydrophobicContact CG2-CG2 4.44Å
62	F	26.8	Very low	29.4	Very low	187 Å²	187	137.7 Å²	137.7	82%	0.82	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	2.1	-178.5	-76.9	-74.9	0	0	0	115.8	E60	E60-F62 PolarHBondContact O-N 3.49Å; E60-F62 VanDerWaalsContact O-N 3.15Å
63	K	29.7	Very low	29.5	Very low	185 Å²	185	135 Å²	135	80%	0.804	72%	0.717	S	S	*	*	S	Bend	trans	-110.3	5.7	-172.7	-83.4	-166.9	178.6	-179.8	0	118.6	E60	E60-K63 PolarHBondContact O-N 3.04Å
64	S	25.7	Very low	29.7	Very low	92 Å²	92	137.8 Å²	137.8	64%	0.643	73%	0.728	S	S	*	*			trans	-121.3	93.4	167.8	77.3	0	0	0	0	112.8
65	S	31.7	Very low	29.7	Very low	107 Å²	107	138.8 Å²	138.8	75%	0.748	73%	0.725	S	S	*	*			trans	-59.2	139.5	157.8	40.8	0	0	0	0	110.1
66	I	33.8	Very low	29.9	Very low	158 Å²	158	138.2 Å²	138.2	81%	0.81	73%	0.725	S	S	*	*	S	Bend	trans	103.1	-23.6	164.4	-55.2	163.5	0	0	0	117.8	K68	I66-K68 PolarHBondContact O-N 3.32Å
67	N	25.8	Very low	29.9	Very low	140 Å²	140	140.5 Å²	140.5	75%	0.749	72%	0.721	S	S	*	*	S	Bend	trans	-92.6	101.3	176.3	-78	-24.7	0	0	0	112.3
68	K	28.2	Very low	30	Very low	175 Å²	175	141.7 Å²	141.7	76%	0.761	72%	0.724	S	S	*	*			trans	19.4	112.2	151.6	-64	177.7	-179	177.4	0	113.9	I66 Q70	I66-K68 PolarHBondContact O-N 3.32Å; K68-Q70 PolarHBondContact O-N 3.06Å
69	H	31.2	Very low	30.1	Very low	192 Å²	192	141.6 Å²	141.6	89%	0.889	72%	0.722	S	S	*	*			trans	-55.3	77.1	160.2	-62.1	-77.6	0	0	0	110	L71	H69-L71 PolarHBondContact O-N 2.83Å
70	Q	29.1	Very low	30.1	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.804	72%	0.724	S	S	*	*			trans	-67.8	91.7	152.9	-72.8	-171.7	-15.8	0	0	103.3	K68 N72	K68-Q70 PolarHBondContact O-N 3.06Å; Q70-N72 VanDerWaalsContact C-N 3.25Å; Q70-N72 PolarHBondContact O-N 2.99Å
71	L	32.6	Very low	30.3	Very low	156 Å²	156	140.4 Å²	140.4	82%	0.817	71%	0.711	S	S	*	*			trans	-47.5	104.9	161.9	-75.4	163.8	0	0	0	104.8	H69 N73	H69-L71 PolarHBondContact O-N 2.83Å; L71-N73 VanDerWaalsContact C-N 3.28Å; L71-N73 PolarHBondContact O-N 2.99Å
72	N	29.8	Very low	30.2	Very low	107 Å²	107	142 Å²	142	57%	0.572	72%	0.716	S	S	*	*			trans	-62.7	101.8	179	-170.9	-3.7	0	0	0	105.3	Q70 H74 N75	Q70-N72 VanDerWaalsContact C-N 3.25Å; Q70-N72 PolarHBondContact O-N 2.99Å; N72-H74 PolarHBondContact O-N 3.4Å; N72-H74 PolarHBondContact OD1-N 2.77Å; N72-N75 PolarHBondContact O-N 2.79Å
73	N	32.5	Very low	30.4	Very low	98 Å²	98	141.3 Å²	141.3	52%	0.524	72%	0.72	S	S	.	*	G	3₁₀ helix	trans	-62.2	-3.3	-176.1	-121.2	-5.8	0	0	0	111.8	L71 N75 T76	L71-N73 VanDerWaalsContact C-N 3.28Å; L71-N73 PolarHBondContact O-N 2.99Å; N73-N75 PolarHBondContact O-N 2.82Å; N73-T76 PolarHBondContact O-OG1 3Å; N73-T76 PolarHBondContact OD1-OG1 2.85Å
74	H	32.4	Very low	30.2	Very low	167 Å²	167	135.5 Å²	135.5	77%	0.773	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-69	-18.6	169.1	-74.8	31.1	0	0	0	113.3	N72	N72-H74 PolarHBondContact O-N 3.4Å; N72-H74 PolarHBondContact OD1-N 2.77Å
75	N	31.3	Very low	30.4	Very low	135 Å²	135	139.5 Å²	139.5	72%	0.722	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-102.1	4.3	-179.9	-75.4	-5.7	0	0	0	114.5	N72 N73 K77	N72-N75 PolarHBondContact O-N 2.79Å; N73-N75 PolarHBondContact O-N 2.82Å; N75-K77 VanDerWaalsContact C-N 3.28Å; N75-K77 PolarHBondContact O-N 3.2Å
76	T	31.6	Very low	30.4	Very low	91 Å²	91	140.6 Å²	140.6	56%	0.558	71%	0.712	S	S	*	*			trans	-70.6	91.3	171.2	36.1	0	0	0	0	108.7	N73 Q78	N73-T76 PolarHBondContact O-OG1 3Å; N73-T76 PolarHBondContact OD1-OG1 2.85Å; T76-Q78 PolarHBondContact O-N 3.43Å
77	K	35.1	Very low	30.4	Very low	160 Å²	160	140.2 Å²	140.2	70%	0.696	71%	0.705	S	S	*	*			trans	-48.1	106.1	174.5	-63	179.3	-179.8	-177.9	0	109.2	N75 I79	N75-K77 VanDerWaalsContact C-N 3.28Å; N75-K77 PolarHBondContact O-N 3.2Å; K77-I79 PolarHBondContact O-N 2.94Å
78	Q	30.7	Very low	30.7	Very low	139 Å²	139	138 Å²	138	65%	0.65	69%	0.693	S	S	*	*			trans	-64.4	121	170.8	-78.1	-177.6	-6.5	0	0	108.3	T76 I80	T76-Q78 PolarHBondContact O-N 3.43Å; Q78-I80 PolarHBondContact O-N 3.31Å; Q78-I80 VanDerWaalsContact O-N 3.15Å
79	I	30.9	Very low	31.2	Very low	150 Å²	150	139.5 Å²	139.5	77%	0.769	69%	0.694	S	S	*	*			trans	-77	100.2	167.9	-60.5	174.7	0	0	0	106.6	K77 M81	K77-I79 PolarHBondContact O-N 2.94Å; I79-M81 HydrophobicContact CG2-CG 4.25Å; I79-M81 PolarHBondContact O-N 3.48Å; I79-M81 VanDerWaalsContact O-N 3.1Å
80	I	27.4	Very low	31.3	Very low	125 Å²	125	133.9 Å²	133.9	64%	0.641	68%	0.676	S	S	*	*			trans	-70.6	102.7	173.2	-58.1	173.9	0	0	0	107.5	Q78	Q78-I80 PolarHBondContact O-N 3.31Å; Q78-I80 VanDerWaalsContact O-N 3.15Å
81	M	29.9	Very low	31.3	Very low	101 Å²	101	132.2 Å²	132.2	50%	0.498	67%	0.673	S	S	.	*			trans	-86.6	112.8	167.3	-70.7	-170.6	-76.1	0	0	108.3	I79 N83 S84 R195	I79-M81 HydrophobicContact CG2-CG 4.25Å; I79-M81 PolarHBondContact O-N 3.48Å; I79-M81 VanDerWaalsContact O-N 3.1Å; M81-N83 PolarHBondContact O-N 2.97Å; M81-N83 VanDerWaalsContact O-N 3.14Å; M81-S84 PolarHBondContact O-N 3.22Å; M81-R195 PolarHBondContact SD-NH2 2.94Å
82	N	27.2	Very low	31.2	Very low	146 Å²	146	128.8 Å²	128.8	78%	0.781	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.8	123.2	176.4	-77.5	-21.1	0	0	0	110.3	S84	N82-S84 PolarHBondContact O-N 3.46Å
83	N	32.5	Very low	31.4	Very low	171 Å²	171	131.3 Å²	131.3	91%	0.914	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.7	15.9	172.8	-56.8	-8.3	0	0	0	118.4	M81	M81-N83 PolarHBondContact O-N 2.97Å; M81-N83 VanDerWaalsContact O-N 3.14Å
84	S	25.7	Very low	31.5	Very low	63 Å²	63	130.4 Å²	130.4	44%	0.441	67%	0.673	S	S	.	*	S	Bend	trans	-101.9	134.7	167.3	-54.6	0	0	0	0	110.6	M81 N82 I86	M81-S84 PolarHBondContact O-N 3.22Å; N82-S84 PolarHBondContact O-N 3.46Å; S84-I86 PolarHBondContact O-N 3.49Å; S84-I86 VanDerWaalsContact O-N 3.13Å
85	L	28.3	Very low	31.5	Very low	176 Å²	176	125.7 Å²	125.7	92%	0.921	66%	0.659	S	S	*	*			trans	-49.4	121.4	169.5	-108	136.5	0	0	0	108.8	K87	L85-K87 PolarHBondContact O-N 2.99Å
86	I	32.7	Very low	31.7	Very low	130 Å²	130	125.2 Å²	125.2	67%	0.667	66%	0.656	S	S	*	*			trans	-55.8	105.5	-179.2	-59.5	168.8	0	0	0	107.1	S84 D88	S84-I86 PolarHBondContact O-N 3.49Å; S84-I86 VanDerWaalsContact O-N 3.13Å; I86-D88 VanDerWaalsContact C-N 3.31Å; I86-D88 PolarHBondContact O-N 3.29Å
87	K	33.1	Very low	31.6	Very low	151 Å²	151	126.8 Å²	126.8	66%	0.657	66%	0.661	S	S	*	*			trans	-73.6	99.2	167.7	-160.8	176.1	-175.3	-173.2	0	104.9	L85 W89	L85-K87 PolarHBondContact O-N 2.99Å; K87-W89 HydrophobicContact CD-CZ2 3.89Å; K87-W89 PolarHBondContact O-N 3.24Å
88	D	33.1	Very low	31.4	Very low	93 Å²	93	124.9 Å²	124.9	50%	0.497	65%	0.654	S	S	.	*			trans	-67.7	100.3	179.6	-158.9	-8.5	0	0	0	108.1	I86 S90	I86-D88 VanDerWaalsContact C-N 3.31Å; I86-D88 PolarHBondContact O-N 3.29Å; D88-S90 PolarHBondContact O-N 3.33Å; D88-S90 WeakPolarHBondContact OD1-CB 3.36Å; D88-S90 PolarHBondContact OD1-N 2.9Å; D88-S90 VanDerWaalsContact OD1-N 3.12Å; D88-S90 PolarHBondContact OD1-OG 3.06Å; D88-S90 PolarHBondContact OD2-OG 2.73Å
89	W	38.2	Very low	31.8	Very low	207 Å²	207	124.5 Å²	124.5	78%	0.784	66%	0.656	S	S	*	*			trans	-79.9	2.1	174	-64.6	91.2	0	0	0	111.3	K87 N91	K87-W89 HydrophobicContact CD-CZ2 3.89Å; K87-W89 PolarHBondContact O-N 3.24Å; W89-N91 PolarHBondContact O-N 2.95Å
90	S	32.4	Very low	32	Very low	74 Å²	74	125.9 Å²	125.9	52%	0.517	66%	0.657	S	S	.	*			trans	-73.4	46.7	165.8	77.7	0	0	0	0	111.5	D88 S92	D88-S90 PolarHBondContact O-N 3.33Å; D88-S90 WeakPolarHBondContact OD1-CB 3.36Å; D88-S90 PolarHBondContact OD1-N 2.9Å; D88-S90 VanDerWaalsContact OD1-N 3.12Å; D88-S90 PolarHBondContact OD1-OG 3.06Å; D88-S90 PolarHBondContact OD2-OG 2.73Å; S90-S92 PolarHBondContact O-N 3.13Å
91	N	29.5	Very low	32.4	Very low	136 Å²	136	126.4 Å²	126.4	73%	0.727	66%	0.661	S	S	*	*			trans	-62.5	100.6	150.9	-82	-16.3	0	0	0	105.3	W89 L93	W89-N91 PolarHBondContact O-N 2.95Å; N91-L93 VanDerWaalsContact C-N 3.29Å; N91-L93 PolarHBondContact O-N 3.47Å
92	S	31.3	Very low	32.7	Very low	84 Å²	84	126.9 Å²	126.9	59%	0.587	66%	0.66	S	S	*	*			trans	-37.7	99.3	162.4	167.7	0	0	0	0	107.7	S90 T94	S90-S92 PolarHBondContact O-N 3.13Å; S92-T94 PolarHBondContact O-N 3.05Å; S92-T94 VanDerWaalsContact OG-CG2 3.28Å; S92-T94 WeakPolarHBondContact OG-CG2 3.15Å; S92-T94 PolarHBondContact OG-N 2.83Å
93	L	34.6	Very low	33.3	Very low	160 Å²	160	128.6 Å²	128.6	84%	0.838	66%	0.661	S	S	*	*			trans	-69	74.8	158.7	-79.2	158.9	0	0	0	104.6	N91 S95	N91-L93 VanDerWaalsContact C-N 3.29Å; N91-L93 PolarHBondContact O-N 3.47Å; L93-S95 PolarHBondContact O-N 3.21Å; L93-S95 VanDerWaalsContact O-N 3.09Å
94	T	33	Very low	33.4	Very low	80 Å²	80	126.9 Å²	126.9	49%	0.491	65%	0.652	S	S	.	*			trans	-50.9	116.3	162.4	30.6	0	0	0	0	105.7	S92	S92-T94 PolarHBondContact O-N 3.05Å; S92-T94 VanDerWaalsContact OG-CG2 3.28Å; S92-T94 WeakPolarHBondContact OG-CG2 3.15Å; S92-T94 PolarHBondContact OG-N 2.83Å
95	S	33.5	Very low	33.8	Very low	68 Å²	68	129.9 Å²	129.9	48%	0.476	65%	0.654	S	S	.	*			trans	26.5	128.6	166.7	52.9	0	0	0	0	117.8	L93 D97 E98	L93-S95 PolarHBondContact O-N 3.21Å; L93-S95 VanDerWaalsContact O-N 3.09Å; S95-D97 PolarHBondContact O-N 2.84Å; S95-E98 PolarHBondContact O-N 3.1Å
96	N	34.8	Very low	34.1	Very low	124 Å²	124	126 Å²	126	66%	0.663	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-41.4	-19.6	168.1	-72.7	-28.7	0	0	0	115.6	E98 L99 F100	N96-E98 VanDerWaalsContact C-N 3.34Å; N96-E98 PolarHBondContact O-N 3.12Å; N96-L99 PolarHBondContact O-N 3.29Å; N96-F100 WeakPolarHBondContact O-CD2 3.13Å
97	D	30.1	Very low	34.3	Very low	125 Å²	125	127.2 Å²	127.2	67%	0.668	65%	0.645	S	S	*	*	H	α-helix	trans	-63.8	-30.4	177.7	-58.3	-35.6	0	0	0	113.9	S95	S95-D97 PolarHBondContact O-N 2.84Å
98	E	31.2	Very low	34.5	Very low	119 Å²	119	127.5 Å²	127.5	56%	0.556	65%	0.646	S	S	*	*	H	α-helix	trans	-80.5	-24.2	176.6	-80.9	-170.5	159.3	0	0	113.4	S95 N96 F100	S95-E98 PolarHBondContact O-N 3.1Å; N96-E98 VanDerWaalsContact C-N 3.34Å; N96-E98 PolarHBondContact O-N 3.12Å; E98-F100 VanDerWaalsContact C-N 3.32Å; E98-F100 PolarHBondContact O-N 3.4Å
99	L	38.9	Very low	34.4	Very low	131 Å²	131	131.8 Å²	131.8	69%	0.686	66%	0.66	S	S	*	*	H	α-helix	trans	-70.4	-30.7	-178.4	-153.1	80.9	0	0	0	112	N96	N96-L99 PolarHBondContact O-N 3.29Å
100	F	34.9	Very low	34.2	Very low	180 Å²	180	127.7 Å²	127.7	79%	0.789	66%	0.658	S	S	*	*	H	α-helix	trans	-83.9	-19.7	-179.3	-75.2	-73.4	0	0	0	114.3	N96 E98	N96-F100 WeakPolarHBondContact O-CD2 3.13Å; E98-F100 VanDerWaalsContact C-N 3.32Å; E98-F100 PolarHBondContact O-N 3.4Å
101	N	36	Very low	34.4	Very low	135 Å²	135	126 Å²	126	72%	0.722	65%	0.647	S	S	*	*			trans	-98.9	3.7	-176.6	-97.4	-17.9	0	0	0	115.3	K103	N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 3.5Å
102	K	36.6	Very low	34.7	Very low	111 Å²	111	127.5 Å²	127.5	48%	0.483	66%	0.655	S	S	.	*			trans	-75.7	83.4	173	-76.9	-170.6	178.1	-179.1	0	111.6	D104 Y105	K102-D104 PolarHBondContact O-N 2.71Å; K102-D104 VanDerWaalsContact O-N 3.11Å; K102-Y105 HydrophobicContact CB-CD2 3.98Å; K102-Y105 HydrophobicContact CB-CE2 4.29Å; K102-Y105 HydrophobicContact CD-CD2 3.96Å; K102-Y105 HydrophobicContact CD-CE2 3.39Å; K102-Y105 HydrophobicContact CG-CE2 4.46Å
103	K	39.5	Very low	34.9	Very low	182 Å²	182	131.8 Å²	131.8	79%	0.791	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-9.9	159	-76.1	-175	175.7	177.4	0	113.2	N101	N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 3.5Å
104	D	34.4	Very low	34.8	Very low	135 Å²	135	129.1 Å²	129.1	72%	0.722	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	9.3	-170.4	-55.9	-35.4	0	0	0	115.3	K102 P106	K102-D104 PolarHBondContact O-N 2.71Å; K102-D104 VanDerWaalsContact O-N 3.11Å; D104-P106 VanDerWaalsContact C-CD 3.42Å; D104-P106 WeakPolarHBondContact O-CD 3.4Å
105	Y	33.5	Very low	34.7	Very low	126 Å²	126	130.5 Å²	130.5	49%	0.494	67%	0.666	S	S	.	*			trans	-107.3	83.5	165.7	-68.5	-70.8	0	0	0	111.2	K102 M107 F108	K102-Y105 HydrophobicContact CB-CD2 3.98Å; K102-Y105 HydrophobicContact CB-CE2 4.29Å; K102-Y105 HydrophobicContact CD-CD2 3.96Å; K102-Y105 HydrophobicContact CD-CE2 3.39Å; K102-Y105 HydrophobicContact CG-CE2 4.46Å; Y105-M107 PolarHBondContact O-N 2.56Å; Y105-M107 VanDerWaalsContact O-N 3.12Å; Y105-F108 HydrophobicContact CG-CD2 4.39Å; Y105-F108 HydrophobicContact CG-CE2 4.41Å; Y105-F108 PolarHBondContact O-N 3.49Å
106	P	34.8	Very low	34.5	Very low	96 Å²	96	138.6 Å²	138.6	62%	0.623	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-60.3	-20	173.3	22.6	-30.7	0	0	0	112.8	D104 F108 K109	D104-P106 VanDerWaalsContact C-CD 3.42Å; D104-P106 WeakPolarHBondContact O-CD 3.4Å; P106-F108 PolarHBondContact O-N 2.72Å; P106-K109 PolarHBondContact O-N 3.46Å; P106-K109 VanDerWaalsContact O-N 3.07Å
107	M	37.6	Very low	34.2	Very low	155 Å²	155	138.3 Å²	138.3	76%	0.764	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-62.5	-22.6	179.8	-124.9	176.7	91	0	0	114.4	Y105 S111	Y105-M107 PolarHBondContact O-N 2.56Å; Y105-M107 VanDerWaalsContact O-N 3.12Å; M107-S111 WeakPolarHBondContact O-CB 3.27Å
108	F	36.2	Very low	34.2	Very low	157 Å²	157	138.3 Å²	138.3	69%	0.689	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-91.6	-12.2	176.3	-68.1	-73.8	0	0	0	113.7	Y105 P106	Y105-F108 HydrophobicContact CG-CD2 4.39Å; Y105-F108 HydrophobicContact CG-CE2 4.41Å; Y105-F108 PolarHBondContact O-N 3.49Å; P106-F108 PolarHBondContact O-N 2.72Å
109	K	31.1	Very low	34	Very low	183 Å²	183	137 Å²	137	80%	0.796	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-25.8	177.9	-77.8	-165.9	176.7	-177.4	0	113.6	P106	P106-K109 PolarHBondContact O-N 3.46Å; P106-K109 VanDerWaalsContact O-N 3.07Å
110	T	34.7	Very low	34.1	Very low	121 Å²	121	135.7 Å²	135.7	74%	0.742	71%	0.705	S	S	*	*	S	Bend	trans	-112.4	3.4	-177.2	59	0	0	0	0	113.6
111	S	37.1	Very low	33.9	Very low	39 Å²	39	133.4 Å²	133.4	27%	0.273	70%	0.7	S	S	.	*			trans	-82.4	125.9	176.7	77.3	0	0	0	0	108.8	M107 F113	M107-S111 WeakPolarHBondContact O-CB 3.27Å; S111-F113 PolarHBondContact O-N 2.86Å
112	N	34.6	Very low	33.4	Very low	167 Å²	167	132 Å²	132	89%	0.893	69%	0.693	S	S	*	*			trans	-67	16.8	173.4	-78.4	-15	0	0	0	112.4	P114	N112-P114 WeakPolarHBondContact O-CD 3.38Å
113	F	35.6	Very low	33.2	Very low	173 Å²	173	133.5 Å²	133.5	76%	0.759	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-71.6	121.1	173.7	-72.2	-72.6	0	0	0	107.9	S111	S111-F113 PolarHBondContact O-N 2.86Å
114	P	32.9	Very low	32.8	Very low	105 Å²	105	128.6 Å²	128.6	68%	0.682	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-58	132.5	174.2	22.6	-30	0	0	0	108.3	N112 Y116	N112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-Y116 PolarHBondContact O-N 3.43Å
115	P	29.6	Very low	32.6	Very low	109 Å²	109	125 Å²	125	71%	0.708	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-56.7	133	175.3	21.2	-30.2	0	0	0	109.1	T117	P115-T117 PolarHBondContact O-N 2.81Å
116	Y	30.7	Very low	32.7	Very low	238 Å²	238	125.7 Å²	125.7	93%	0.933	69%	0.691	S	S	*	*			trans	-66.3	81.6	171.8	-83.3	-86.6	0	0	0	109.4	P114 C118	P114-Y116 PolarHBondContact O-N 3.43Å; Y116-C118 PolarHBondContact O-N 2.93Å
117	T	28.1	Very low	32.6	Very low	118 Å²	118	128.9 Å²	128.9	72%	0.724	70%	0.702	S	S	*	*			trans	-84.3	92.5	164.3	56.7	0	0	0	0	107.4	P115 S119	P115-T117 PolarHBondContact O-N 2.81Å; T117-S119 VanDerWaalsContact C-N 3.26Å; T117-S119 PolarHBondContact O-N 3.12Å
118	C	29.3	Very low	32.2	Very low	125 Å²	125	125.9 Å²	125.9	85%	0.845	70%	0.696	S	S	*	*			trans	-70.9	88.8	166.5	-166.9	0	0	0	0	107.5	Y116 S120	Y116-C118 PolarHBondContact O-N 2.93Å; C118-S120 PolarHBondContact O-N 2.85Å
119	S	28.8	Very low	32	Very low	91 Å²	91	121 Å²	121	64%	0.636	68%	0.681	S	S	*	*			trans	-72.4	110.1	165.7	66.3	0	0	0	0	106.5	T117 N121	T117-S119 VanDerWaalsContact C-N 3.26Å; T117-S119 PolarHBondContact O-N 3.12Å; S119-N121 PolarHBondContact O-N 3.44Å
120	S	39	Very low	31.9	Very low	104 Å²	104	119.6 Å²	119.6	73%	0.727	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	10.1	-172.2	54.7	0	0	0	0	115.3	C118	C118-S120 PolarHBondContact O-N 2.85Å
121	N	30.7	Very low	31.8	Very low	131 Å²	131	119.8 Å²	119.8	70%	0.701	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	3.6	-162.6	-69.1	5.9	0	0	0	115.4	S119	S119-N121 PolarHBondContact O-N 3.44Å
122	N	27.5	Very low	31.5	Very low	105 Å²	105	125 Å²	125	56%	0.561	70%	0.695	S	S	*	*			trans	-138.4	76.2	172.9	-81	-36	0	0	0	112.3	S124 S125	N122-S124 PolarHBondContact O-N 3.4Å; N122-S125 PolarHBondContact O-N 2.87Å; N122-S125 PolarHBondContact O-OG 3.46Å
123	L	32.2	Very low	31.7	Very low	144 Å²	144	124 Å²	124	75%	0.754	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-51.4	-18.9	167.7	-88	157	0	0	0	113.5	S125 L126	L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 3.23Å; L123-L126 HydrophobicContact CD2-CD1 4.23Å
124	S	29.5	Very low	31.7	Very low	78 Å²	78	119.8 Å²	119.8	55%	0.545	67%	0.673	S	S	.	*	G	3₁₀ helix	trans	-68.2	-25.5	175.7	47.4	0	0	0	0	114	N122 L127	N122-S124 PolarHBondContact O-N 3.4Å; S124-L127 PolarHBondContact O-N 3.08Å
125	S	30.7	Very low	32	Very low	61 Å²	61	119.8 Å²	119.8	43%	0.427	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-74	-23.7	179.8	64.3	0	0	0	0	114	N122 L123 L127 S128 S129	N122-S125 PolarHBondContact O-N 2.87Å; N122-S125 PolarHBondContact O-OG 3.46Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 3.23Å; S125-L127 PolarHBondContact O-N 2.77Å; S125-S128 PolarHBondContact O-N 3.1Å; S125-S129 PolarHBondContact O-OG 3.29Å
126	L	36.1	Very low	32.4	Very low	140 Å²	140	121.6 Å²	121.6	73%	0.733	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-64.7	-23	173.5	-93.6	149.7	0	0	0	112.3	L123	L123-L126 HydrophobicContact CD2-CD1 4.23Å
127	L	31.9	Very low	32.7	Very low	163 Å²	163	116.7 Å²	116.7	85%	0.853	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-91.6	-18.1	179.6	-66.2	172.9	0	0	0	113.4	S124 S125	S124-L127 PolarHBondContact O-N 3.08Å; S125-L127 PolarHBondContact O-N 2.77Å
128	S	30.1	Very low	33.2	Very low	92 Å²	92	116.7 Å²	116.7	64%	0.643	65%	0.651	S	S	*	*	S	Bend	trans	-113.3	10.4	-170.9	74.2	0	0	0	0	114.9	S125	S125-S128 PolarHBondContact O-N 3.1Å
129	S	31.1	Very low	33.7	Very low	53 Å²	53	116.3 Å²	116.3	37%	0.371	64%	0.64	S	S	.	*			trans	-99	109.3	-179.3	-55.6	0	0	0	0	108.5	S125 H131	S125-S129 PolarHBondContact O-OG 3.29Å; S129-H131 WeakPolarHBondContact CB-CD2 3.25Å; S129-H131 WeakPolarHBondContact CB-NE2 3.46Å; S129-H131 PolarHBondContact O-N 3.46Å
130	D	29.2	Very low	34.4	Very low	154 Å²	154	117 Å²	117	82%	0.824	63%	0.633	S	S	*	*			trans	-61.3	59.9	163.5	-72.3	-47.1	0	0	0	110	Q132	D130-Q132 PolarHBondContact O-N 2.83Å
131	H	33.9	Very low	34.6	Very low	125 Å²	125	115.2 Å²	115.2	58%	0.579	61%	0.612	S	S	*	*			trans	-69.9	84.8	168.2	-69	-50	0	0	0	106.5	S129 F133	S129-H131 WeakPolarHBondContact CB-CD2 3.25Å; S129-H131 WeakPolarHBondContact CB-NE2 3.46Å; S129-H131 PolarHBondContact O-N 3.46Å; H131-F133 HydrophobicContact CB-CE2 4.41Å; H131-F133 WeakPolarHBondContact O-CD2 3.4Å; H131-F133 PolarHBondContact O-N 3.48Å
132	Q	31	Very low	35	Very low	148 Å²	148	111.3 Å²	111.3	69%	0.692	59%	0.591	S	S	*	*			trans	-62.8	89.3	155.7	-159.8	160.4	10.8	0	0	105.1	D130	D130-Q132 PolarHBondContact O-N 2.83Å
133	F	37.2	Very low	35.7	Very low	146 Å²	146	108.2 Å²	108.2	64%	0.64	58%	0.575	S	S	*	*			trans	-49	138.4	165.5	-67.6	-84.3	0	0	0	106.7	H131 E135	H131-F133 HydrophobicContact CB-CE2 4.41Å; H131-F133 WeakPolarHBondContact O-CD2 3.4Å; H131-F133 PolarHBondContact O-N 3.48Å; F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 3.49Å
134	P	36.4	Very low	36.1	Very low	85 Å²	85	105.2 Å²	105.2	55%	0.552	57%	0.566	S	S	*	*			trans	-58	103	171.6	22	-29.1	0	0	0	107.2	D136 N137	P134-D136 PolarHBondContact O-N 3.22Å; P134-D136 VanDerWaalsContact O-N 3.08Å; P134-N137 PolarHBondContact O-N 3.01Å; P134-N137 VanDerWaalsContact O-N 3.1Å
135	E	39.6	Very low	36.7	Very low	106 Å²	106	107.8 Å²	107.8	50%	0.495	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-55.8	-27.3	-177.3	-72.3	177.4	179.1	0	0	110.3	F133 N137 M138	F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 3.49Å; E135-N137 VanDerWaalsContact C-N 3.25Å; E135-N137 PolarHBondContact O-N 3.19Å; E135-M138 PolarHBondContact O-N 3.17Å
136	D	37.3	Very low	37.4	Very low	146 Å²	146	115.5 Å²	115.5	78%	0.781	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-66.3	-16.5	-179.7	-56.7	-25.3	0	0	0	115	P134	P134-D136 PolarHBondContact O-N 3.22Å; P134-D136 VanDerWaalsContact O-N 3.08Å
137	N	36.2	Very low	37.6	Very low	136 Å²	136	111.3 Å²	111.3	73%	0.727	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-107.9	1.8	-176.3	-81.7	8	0	0	0	114.3	P134 E135	P134-N137 PolarHBondContact O-N 3.01Å; P134-N137 VanDerWaalsContact O-N 3.1Å; E135-N137 VanDerWaalsContact C-N 3.25Å; E135-N137 PolarHBondContact O-N 3.19Å
138	M	39.2	Very low	38.1	Very low	117 Å²	117	106.3 Å²	106.3	58%	0.576	55%	0.547	S	S	*	.	S	Bend	trans	-89.8	133.8	177.5	-64.7	-64.7	-74	0	0	109.3	E135 H140	E135-M138 PolarHBondContact O-N 3.17Å; M138-H140 PolarHBondContact O-N 3.2Å
139	D	40.8	Very low	38.8	Very low	118 Å²	118	103.2 Å²	103.2	63%	0.631	52%	0.523	S	S	*	.			trans	-53.8	117.5	174.2	-71.3	-44.2	0	0	0	109.3	F141	D139-F141 HydrophobicContact CB-CD2 4.33Å; D139-F141 HydrophobicContact CB-CE2 3.78Å; D139-F141 HydrophobicContact CB-CZ 4.06Å; D139-F141 WeakPolarHBondContact O-CD2 3.19Å; D139-F141 WeakPolarHBondContact O-CE2 3.31Å; D139-F141 PolarHBondContact O-N 3.45Å
140	H	42.5	Very low	39.4	Very low	105 Å²	105	103.5 Å²	103.5	49%	0.486	52%	0.521	S	S	.	.			trans	-68	98.7	173.2	-70.7	-87.9	0	0	0	108.2	M138 D148	M138-H140 PolarHBondContact O-N 3.2Å; H140-D148 IonicContact CE1-OD2 3.56Å; H140-D148 IonicContact CG-OD2 3.96Å; H140-D148 IonicContact ND1-OD1 3.58Å; H140-D148 IonicContact ND1-OD2 2.85Å; H140-D148 PolarHBondContact ND1-OD2 3.12Å
141	F	43.2	Very low	39.9	Very low	66 Å²	66	101.4 Å²	101.4	29%	0.289	51%	0.506	S	S	.	.			trans	-78.6	122.9	168.9	-64	-87.1	0	0	0	107.8	D139 I149 C191 H193	D139-F141 HydrophobicContact CB-CD2 4.33Å; D139-F141 HydrophobicContact CB-CE2 3.78Å; D139-F141 HydrophobicContact CB-CZ 4.06Å; D139-F141 WeakPolarHBondContact O-CD2 3.19Å; D139-F141 WeakPolarHBondContact O-CE2 3.31Å; D139-F141 PolarHBondContact O-N 3.45Å; F141-I149 HydrophobicContact CB-CB 4.02Å; F141-I149 HydrophobicContact CB-CD1 3.21Å; F141-I149 HydrophobicContact CB-CG1 4.05Å; F141-I149 HydrophobicContact CG-CD1 4.41Å; F141-I149 WeakPolarHBondContact O-CB 3.48Å; F141-I149 WeakPolarHBondContact O-CD1 3.48Å; F141-I149 WeakPolarHBondContact O-CG1 3.07Å; F141-I149 PolarHBondContact O-N 3.47Å; F141-C191 HydrophobicContact CD1-CB 3.89Å; F141-H193 AromaticContact CE1-CE1 3.4Å; F141-H193 VanDerWaalsContact CE1-CE1 3.4Å; F141-H193 WeakPolarHBondContact CE1-CE1 3.47Å; F141-H193 AromaticContact CE1-ND1 3.9Å; F141-H193 AromaticContact CE1-NE2 3.46Å; F141-H193 WeakPolarHBondContact CE1-NE2 3.49Å; F141-H193 AromaticContact CZ-NE2 3.93Å
142	I	40.2	Very low	40.1	Very low	50 Å²	50	98.7 Å²	98.7	26%	0.256	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-106.5	128.9	177.1	-58.8	176.8	0	0	0	107.1	R146 Q192	I142-R146 VanDerWaalsContact CG2-CA 3.44Å; I142-R146 HydrophobicContact CG2-CB 4.29Å; I142-Q192 PolarHBondContact O-N 2.77Å
143	D	41.9	Very low	40.4	Very low	40 Å²	40	96.2 Å²	96.2	21%	0.214	49%	0.486	C	S	.	.			trans	-72.9	172.8	173.9	74.9	12.6	0	0	0	111.7	N145 R146 T147	D143-N145 PolarHBondContact O-N 2.89Å; D143-N145 VanDerWaalsContact O-N 3.13Å; D143-N145 VanDerWaalsContact OD1-C 3.27Å; D143-N145 VanDerWaalsContact OD1-CA 3.27Å; D143-N145 WeakPolarHBondContact OD1-CA 3.39Å; D143-N145 WeakPolarHBondContact OD1-CB 3.23Å; D143-N145 PolarHBondContact OD1-N 3.46Å; D143-R146 PolarHBondContact O-N 3.03Å; D143-R146 PolarHBondContact OD1-N 2.78Å; D143-T147 VanDerWaalsContact CG-OG1 3.23Å; D143-T147 PolarHBondContact N-O 2.9Å; D143-T147 PolarHBondContact OD1-N 2.78Å; D143-T147 PolarHBondContact OD1-OG1 3.41Å; D143-T147 WeakPolarHBondContact OD2-CB 3.46Å; D143-T147 PolarHBondContact OD2-OG1 2.91Å
144	S	39.4	Very low	40.1	Very low	81 Å²	81	95.7 Å²	95.7	57%	0.566	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.6	178.1	52.9	0	0	0	0	114.5	R146	S144-R146 VanDerWaalsContact C-N 3.3Å
145	N	42.7	Very low	40	Very low	132 Å²	132	100 Å²	100	71%	0.706	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	4.6	176.3	-65.4	-26.9	0	0	0	112.5	D143 T147	D143-N145 PolarHBondContact O-N 2.89Å; D143-N145 VanDerWaalsContact O-N 3.13Å; D143-N145 VanDerWaalsContact OD1-C 3.27Å; D143-N145 VanDerWaalsContact OD1-CA 3.27Å; D143-N145 WeakPolarHBondContact OD1-CA 3.39Å; D143-N145 WeakPolarHBondContact OD1-CB 3.23Å; D143-N145 PolarHBondContact OD1-N 3.46Å; N145-T147 VanDerWaalsContact C-N 3.26Å; N145-T147 PolarHBondContact O-N 3Å
146	R	45.9	Very low	40	Very low	222 Å²	222	101.1 Å²	101.1	84%	0.838	50%	0.5	S	S	*	.			trans	65.9	23.4	-175.3	-57.6	-178.3	175.6	-174.1	-1.4	114.4	I142 D143 S144	I142-R146 VanDerWaalsContact CG2-CA 3.44Å; I142-R146 HydrophobicContact CG2-CB 4.29Å; D143-R146 PolarHBondContact O-N 3.03Å; D143-R146 PolarHBondContact OD1-N 2.78Å; S144-R146 VanDerWaalsContact C-N 3.3Å
147	T	41.1	Very low	39.8	Very low	52 Å²	52	102 Å²	102	32%	0.319	49%	0.492	S	S	.	.			trans	-83.8	121.6	170.2	-10	0	0	0	0	108.7	D143 N145 I149 H151	D143-T147 VanDerWaalsContact CG-OG1 3.23Å; D143-T147 PolarHBondContact N-O 2.9Å; D143-T147 PolarHBondContact OD1-N 2.78Å; D143-T147 PolarHBondContact OD1-OG1 3.41Å; D143-T147 WeakPolarHBondContact OD2-CB 3.46Å; D143-T147 PolarHBondContact OD2-OG1 2.91Å; N145-T147 VanDerWaalsContact C-N 3.26Å; N145-T147 PolarHBondContact O-N 3Å; T147-I149 PolarHBondContact O-N 3.36Å; T147-H151 HydrophobicContact CG2-CB 4.31Å
148	D	41.2	Very low	39.5	Very low	58 Å²	58	101 Å²	101	31%	0.31	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-59.4	128.2	169.7	-174.3	-18.4	0	0	0	108.8	H140 N150 H151	H140-D148 IonicContact CE1-OD2 3.56Å; H140-D148 IonicContact CG-OD2 3.96Å; H140-D148 IonicContact ND1-OD1 3.58Å; H140-D148 IonicContact ND1-OD2 2.85Å; H140-D148 PolarHBondContact ND1-OD2 3.12Å; D148-N150 PolarHBondContact O-N 2.72Å; D148-N150 VanDerWaalsContact O-N 3.1Å; D148-N150 PolarHBondContact OD1-N 2.84Å; D148-H151 WeakPolarHBondContact O-CB 3.33Å; D148-H151 PolarHBondContact O-N 2.87Å
149	I	45.2	Very low	39.3	Very low	27 Å²	27	97.4 Å²	97.4	14%	0.138	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.4	-178	-75.4	164.9	0	0	0	112.4	F141 T147 H151 M152 N153 I189 C191	F141-I149 HydrophobicContact CB-CB 4.02Å; F141-I149 HydrophobicContact CB-CD1 3.21Å; F141-I149 HydrophobicContact CB-CG1 4.05Å; F141-I149 HydrophobicContact CG-CD1 4.41Å; F141-I149 WeakPolarHBondContact O-CB 3.48Å; F141-I149 WeakPolarHBondContact O-CD1 3.48Å; F141-I149 WeakPolarHBondContact O-CG1 3.07Å; F141-I149 PolarHBondContact O-N 3.47Å; T147-I149 PolarHBondContact O-N 3.36Å; I149-H151 PolarHBondContact O-N 3.09Å; I149-M152 HydrophobicContact CG2-CB 4.25Å; I149-M152 WeakPolarHBondContact O-CA 3.22Å; I149-M152 VanDerWaalsContact O-CB 3.31Å; I149-M152 WeakPolarHBondContact O-CB 3.42Å; I149-M152 PolarHBondContact O-N 2.93Å; I149-N153 PolarHBondContact O-N 3.07Å; I149-N153 VanDerWaalsContact O-N 3.12Å; I149-I189 HydrophobicContact CD1-CG2 3.88Å; I149-C191 VanDerWaalsContact CD1-SG 3.53Å
150	N	43.6	Very low	39.1	Very low	59 Å²	59	97.5 Å²	97.5	32%	0.316	49%	0.485	S	S	.	.	H	α-helix	trans	-57.7	-26.9	162.7	-82.1	-27.4	0	0	0	112.9	D148 M152 N153 M154	D148-N150 PolarHBondContact O-N 2.72Å; D148-N150 VanDerWaalsContact O-N 3.1Å; D148-N150 PolarHBondContact OD1-N 2.84Å; N150-M152 VanDerWaalsContact C-N 3.29Å; N150-M152 PolarHBondContact O-N 3.11Å; N150-N153 PolarHBondContact O-N 3.12Å; N150-M154 PolarHBondContact O-N 3.45Å
151	H	39.2	Very low	38.8	Very low	110 Å²	110	98.8 Å²	98.8	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-33.2	169.6	-130.2	144	0	0	0	111.6	T147 D148 I149 M154 Y155	T147-H151 HydrophobicContact CG2-CB 4.31Å; D148-H151 WeakPolarHBondContact O-CB 3.33Å; D148-H151 PolarHBondContact O-N 2.87Å; I149-H151 PolarHBondContact O-N 3.09Å; H151-M154 WeakPolarHBondContact O-CB 3.16Å; H151-M154 PolarHBondContact O-N 2.8Å; H151-Y155 VanDerWaalsContact O-CD2 3.23Å; H151-Y155 WeakPolarHBondContact O-CD2 3.28Å; H151-Y155 PolarHBondContact O-N 2.8Å
152	M	37.8	Very low	38.5	Very low	69 Å²	69	100.5 Å²	100.5	34%	0.34	50%	0.501	S	S	.	.	H	α-helix	trans	-75.3	-34.3	179.7	-143.8	172.2	-170.9	0	0	112.1	I149 N150 M154 Y155 M156 I189	I149-M152 HydrophobicContact CG2-CB 4.25Å; I149-M152 WeakPolarHBondContact O-CA 3.22Å; I149-M152 VanDerWaalsContact O-CB 3.31Å; I149-M152 WeakPolarHBondContact O-CB 3.42Å; I149-M152 PolarHBondContact O-N 2.93Å; N150-M152 VanDerWaalsContact C-N 3.29Å; N150-M152 PolarHBondContact O-N 3.11Å; M152-M154 VanDerWaalsContact C-N 3.32Å; M152-M154 PolarHBondContact O-N 3.33Å; M152-Y155 PolarHBondContact O-N 3.07Å; M152-M156 PolarHBondContact O-N 3.47Å; M152-I189 HydrophobicContact CE-CD1 4.07Å; M152-I189 HydrophobicContact CE-CG1 4.16Å; M152-I189 HydrophobicContact SD-CD1 3.48Å; M152-I189 WeakPolarHBondContact SD-CD1 3.29Å; M152-I189 HydrophobicContact SD-CG1 4.03Å
153	N	38.2	Very low	38.4	Very low	95 Å²	95	107.4 Å²	107.4	51%	0.508	53%	0.529	S	S	.	.	H	α-helix	trans	-62.5	-37.8	170.7	-81.6	-21.8	0	0	0	111.8	I149 N150 Y155 M156 R157	I149-N153 PolarHBondContact O-N 3.07Å; I149-N153 VanDerWaalsContact O-N 3.12Å; N150-N153 PolarHBondContact O-N 3.12Å; N153-Y155 PolarHBondContact O-N 3.18Å; N153-M156 CarbonylContact O-C 3.56Å; N153-M156 PolarHBondContact O-N 3.34Å; N153-R157 WeakPolarHBondContact O-CB 3.34Å; N153-R157 PolarHBondContact O-N 3.03Å
154	M	31.7	Very low	38.4	Very low	136 Å²	136	114.2 Å²	114.2	67%	0.67	56%	0.56	S	S	*	*	H	α-helix	trans	-61	-39.7	172.1	-88.9	-98.5	-179.1	0	0	112.8	N150 H151 M152 R157 N158	N150-M154 PolarHBondContact O-N 3.45Å; H151-M154 WeakPolarHBondContact O-CB 3.16Å; H151-M154 PolarHBondContact O-N 2.8Å; M152-M154 VanDerWaalsContact C-N 3.32Å; M152-M154 PolarHBondContact O-N 3.33Å; M154-R157 CarbonylContact O-C 3.59Å; M154-R157 PolarHBondContact O-N 3.43Å; M154-R157 VanDerWaalsContact O-N 3.12Å; M154-N158 PolarHBondContact O-N 2.84Å
155	Y	33.4	Very low	38.8	Very low	175 Å²	175	113.4 Å²	113.4	69%	0.686	55%	0.549	S	S	*	.	H	α-helix	trans	-69.1	-31.7	174.5	-79.4	-74.7	0	0	0	113	H151 M152 N153 R157	H151-Y155 VanDerWaalsContact O-CD2 3.23Å; H151-Y155 WeakPolarHBondContact O-CD2 3.28Å; H151-Y155 PolarHBondContact O-N 2.8Å; M152-Y155 PolarHBondContact O-N 3.07Å; N153-Y155 PolarHBondContact O-N 3.18Å; Y155-R157 VanDerWaalsContact C-N 3.32Å
156	M	38.5	Very low	39	Very low	129 Å²	129	109.7 Å²	109.7	64%	0.635	53%	0.529	S	S	*	.	H	α-helix	trans	-72.9	-25.9	169.1	-64.4	-159.2	-177	0	0	112.6	M152 N153	M152-M156 PolarHBondContact O-N 3.47Å; N153-M156 CarbonylContact O-C 3.56Å; N153-M156 PolarHBondContact O-N 3.34Å
157	R	33.4	Very low	39	Very low	164 Å²	164	103.7 Å²	103.7	62%	0.619	51%	0.513	S	S	*	.	H	α-helix	trans	-85	-6.1	-179.6	-131.2	179.2	-177.6	177.2	-0.1	114.9	N153 M154 Y155 G159	N153-R157 WeakPolarHBondContact O-CB 3.34Å; N153-R157 PolarHBondContact O-N 3.03Å; M154-R157 CarbonylContact O-C 3.59Å; M154-R157 PolarHBondContact O-N 3.43Å; M154-R157 VanDerWaalsContact O-N 3.12Å; Y155-R157 VanDerWaalsContact C-N 3.32Å; R157-G159 PolarHBondContact O-N 3.49Å
158	N	31.3	Very low	39.3	Very low	116 Å²	116	109.5 Å²	109.5	62%	0.62	53%	0.53	S	S	*	.			trans	-69.6	59.6	161.3	-102.4	-11.5	0	0	0	109.8	M154 T160	M154-N158 PolarHBondContact O-N 2.84Å; N158-T160 PolarHBondContact O-N 2.89Å
159	G	35.3	Very low	39.7	Very low	42 Å²	42	113.1 Å²	113.1	43%	0.433	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	11.5	-175.6	0	0	0	0	0	114.2	R157 N161	R157-G159 PolarHBondContact O-N 3.49Å; G159-N161 VanDerWaalsContact C-N 3.33Å
160	T	35.4	Very low	40	Very low	119 Å²	119	119 Å²	119	73%	0.73	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-28.3	171.7	41.2	0	0	0	0	112.2	N158	N158-T160 PolarHBondContact O-N 2.89Å
161	N	36.1	Very low	40.6	Very low	133 Å²	133	119.4 Å²	119.4	71%	0.711	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-19.6	-177.4	-75.4	-14.5	0	0	0	115.1	G159	G159-N161 VanDerWaalsContact C-N 3.33Å
162	Y	37.9	Very low	41.8	Very low	102 Å²	102	116.5 Å²	116.5	40%	0.4	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-75.6	-24.3	-177.2	-104.3	-72.1	0	0	0	114.3	Q164 L165 F184	Y162-Q164 PolarHBondContact O-N 2.94Å; Y162-L165 HydrophobicContact CD1-CD1 4.4Å; Y162-L165 HydrophobicContact CE1-CD1 4.39Å; Y162-L165 PolarHBondContact O-N 2.97Å; Y162-F184 AromaticContact CD1-CZ 3.91Å; Y162-F184 HydrophobicContact CD1-CZ 3.91Å; Y162-F184 AromaticContact CE1-CE1 3.58Å; Y162-F184 HydrophobicContact CE1-CE1 3.58Å; Y162-F184 AromaticContact CE1-CE2 3.72Å; Y162-F184 HydrophobicContact CE1-CE2 3.72Å; Y162-F184 AromaticContact CE1-CZ 3.08Å; Y162-F184 HydrophobicContact CE1-CZ 3.08Å; Y162-F184 AromaticContact CZ-CE1 3.52Å; Y162-F184 AromaticContact CZ-CZ 3.58Å; Y162-F184 WeakPolarHBondContact OH-CE1 3.38Å
163	K	37.9	Very low	43	Very low	195 Å²	195	118.7 Å²	118.7	85%	0.848	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-62.5	-14.2	-176.5	-89	-172.1	176.2	179.7	0	114.6
164	Q	42.2	Very low	44.4	Very low	183 Å²	183	117.6 Å²	117.6	86%	0.855	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-105.8	-12.3	-179.2	-76.8	-175.1	-2.2	0	0	115.5	Y162	Y162-Q164 PolarHBondContact O-N 2.94Å
165	L	46.6	Very low	46.2	Very low	64 Å²	64	115 Å²	115	34%	0.335	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	-27.7	-173	-83.9	158	0	0	0	113.7	Y162 Y183	Y162-L165 HydrophobicContact CD1-CD1 4.4Å; Y162-L165 HydrophobicContact CE1-CD1 4.39Å; Y162-L165 PolarHBondContact O-N 2.97Å; L165-Y183 HydrophobicContact CB-CD2 4.49Å; L165-Y183 HydrophobicContact CD2-CD1 3.71Å; L165-Y183 HydrophobicContact CD2-CD2 4.3Å; L165-Y183 HydrophobicContact CD2-CE1 3.39Å; L165-Y183 HydrophobicContact CD2-CE2 4.02Å; L165-Y183 HydrophobicContact CD2-CG 4.16Å
166	L	46	Very low	47.6	Very low	53 Å²	53	108.5 Å²	108.5	28%	0.277	56%	0.556	S	S	.	*			trans	-109.6	95.9	-179.6	-62.4	171.9	0	0	0	109.1	Y168 L176 Q179 L180	L166-Y168 PolarHBondContact O-N 2.83Å; L166-L176 HydrophobicContact CD2-CD1 4.24Å; L166-Q179 HydrophobicContact CD2-CB 3.74Å; L166-L180 HydrophobicContact CD1-CD2 3.9Å; L166-L180 HydrophobicContact CD2-CD2 4.24Å
167	N	46.4	Very low	48.9	Very low	96 Å²	96	104.8 Å²	104.8	51%	0.513	54%	0.542	S	S	.	.			trans	-75.7	81.2	171.8	-167.8	3.8	0	0	0	109.2	N169 H171	N167-N169 PolarHBondContact O-N 3.23Å; N167-H171 PolarHBondContact O-CD2 2.87Å
168	Y	47.9	Very low	50.3	Low	174 Å²	174	101.4 Å²	101.4	68%	0.682	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-58.6	-23.1	-175.6	-156.8	-92.1	0	0	0	113.2	L166 N170 L176	L166-Y168 PolarHBondContact O-N 2.83Å; Y168-N170 VanDerWaalsContact C-N 3.33Å; Y168-N170 PolarHBondContact O-N 2.7Å; Y168-N170 VanDerWaalsContact O-N 3.16Å; Y168-L176 HydrophobicContact CD2-CD1 4.11Å; Y168-L176 HydrophobicContact CD2-CD2 4.3Å; Y168-L176 HydrophobicContact CE2-CD1 4.5Å; Y168-L176 HydrophobicContact CE2-CD2 3.86Å
169	N	48.8	Very low	51.7	Low	135 Å²	135	97.6 Å²	97.6	72%	0.722	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-78	-1.3	-160	-76.8	-12.4	0	0	0	116.6	N167	N167-N169 PolarHBondContact O-N 3.23Å
170	N	51.7	Low	52.9	Low	150 Å²	150	99 Å²	99	80%	0.802	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-151.8	12.2	177.1	-89.1	-29.7	0	0	0	115.3	Y168	Y168-N170 VanDerWaalsContact C-N 3.33Å; Y168-N170 PolarHBondContact O-N 2.7Å; Y168-N170 VanDerWaalsContact O-N 3.16Å
171	H	57	Low	54.1	Low	68 Å²	68	100.4 Å²	100.4	32%	0.315	51%	0.508	S	S	.	.			trans	-99.8	136.7	-173.8	-73.9	-47.3	0	0	0	113	N167 E175 Q179	N167-H171 PolarHBondContact O-CD2 2.87Å; H171-E175 WeakPolarHBondContact CA-OE2 3.38Å; H171-E175 HydrophobicContact CB-CB 3.76Å; H171-E175 WeakPolarHBondContact CB-OE2 3.4Å; H171-E175 IonicContact CG-OE2 3.55Å; H171-E175 IonicContact ND1-OE1 3.81Å; H171-E175 IonicContact ND1-OE2 2.91Å; H171-E175 PolarHBondContact ND1-OE2 3.46Å; H171-Q179 PolarHBondContact CD2-NE2 3.1Å; H171-Q179 VanDerWaalsContact CD2-NE2 3.27Å; H171-Q179 PolarHBondContact NE2-NE2 2.88Å
172	S	64.4	Low	55.3	Low	49 Å²	49	99.2 Å²	99.2	34%	0.343	51%	0.506	S	S	.	.			trans	-62	154	167.8	60.6	0	0	0	0	110.1	S174 E175 L176	S172-S174 PolarHBondContact O-N 3.49Å; S172-S174 PolarHBondContact OG-OG 3.04Å; S172-E175 PolarHBondContact N-OE2 2.7Å; S172-E175 WeakPolarHBondContact O-CB 3.14Å; S172-E175 PolarHBondContact O-N 3.02Å; S172-E175 WeakPolarHBondContact OG-CG 3.44Å; S172-E175 PolarHBondContact OG-OE2 2.64Å; S172-L176 PolarHBondContact O-N 2.86Å; S172-L176 VanDerWaalsContact O-N 3.1Å
173	P	63	Low	55.9	Low	115 Å²	115	99.5 Å²	99.5	75%	0.747	51%	0.507	S	S	*	.	H	α-helix	trans	-53.1	-30.1	178.4	-28.3	35.2	0	0	0	114	S177	P173-S177 WeakPolarHBondContact O-CB 3.24Å; P173-S177 PolarHBondContact O-N 3.46Å
174	S	68.6	Low	56.4	Low	71 Å²	71	94.6 Å²	94.6	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-69.6	-41.2	175.2	53.4	0	0	0	0	112.7	S172 S177 N178	S172-S174 PolarHBondContact O-N 3.49Å; S172-S174 PolarHBondContact OG-OG 3.04Å; S174-S177 PolarHBondContact O-N 3.44Å; S174-N178 WeakPolarHBondContact O-CB 3.43Å; S174-N178 VanDerWaalsContact O-CG 3.24Å; S174-N178 PolarHBondContact O-N 3.31Å; S174-N178 PolarHBondContact O-ND2 3.23Å
175	E	67.6	Low	56.7	Low	83 Å²	83	93.7 Å²	93.7	39%	0.388	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-40.6	174.8	-75.2	172.4	146.3	0	0	111.4	H171 S172 N178 Q179	H171-E175 WeakPolarHBondContact CA-OE2 3.38Å; H171-E175 HydrophobicContact CB-CB 3.76Å; H171-E175 WeakPolarHBondContact CB-OE2 3.4Å; H171-E175 IonicContact CG-OE2 3.55Å; H171-E175 IonicContact ND1-OE1 3.81Å; H171-E175 IonicContact ND1-OE2 2.91Å; H171-E175 PolarHBondContact ND1-OE2 3.46Å; S172-E175 PolarHBondContact N-OE2 2.7Å; S172-E175 WeakPolarHBondContact O-CB 3.14Å; S172-E175 PolarHBondContact O-N 3.02Å; S172-E175 WeakPolarHBondContact OG-CG 3.44Å; S172-E175 PolarHBondContact OG-OE2 2.64Å; E175-N178 PolarHBondContact O-N 3.38Å; E175-Q179 WeakPolarHBondContact O-CG 3.39Å; E175-Q179 PolarHBondContact O-N 3.38Å
176	L	64.5	Low	56.6	Low	38 Å²	38	96.3 Å²	96.3	20%	0.199	50%	0.502	C	S	.	.	H	α-helix	trans	-63.8	-45	174.8	-167.6	77.9	0	0	0	111.4	L166 Y168 S172 N178 Q179 L180	L166-L176 HydrophobicContact CD2-CD1 4.24Å; Y168-L176 HydrophobicContact CD2-CD1 4.11Å; Y168-L176 HydrophobicContact CD2-CD2 4.3Å; Y168-L176 HydrophobicContact CE2-CD1 4.5Å; Y168-L176 HydrophobicContact CE2-CD2 3.86Å; S172-L176 PolarHBondContact O-N 2.86Å; S172-L176 VanDerWaalsContact O-N 3.1Å; L176-N178 VanDerWaalsContact C-N 3.27Å; L176-N178 PolarHBondContact O-N 3.45Å; L176-Q179 PolarHBondContact O-N 3.36Å; L176-L180 WeakPolarHBondContact O-CG 3.39Å; L176-L180 PolarHBondContact O-N 3.26Å
177	S	64.4	Low	56.4	Low	50 Å²	50	98.9 Å²	98.9	35%	0.35	52%	0.52	S	S	.	.	H	α-helix	trans	-59.4	-38.9	174.3	173	0	0	0	0	111.9	P173 S174 L180 K181	P173-S177 WeakPolarHBondContact O-CB 3.24Å; P173-S177 PolarHBondContact O-N 3.46Å; S174-S177 PolarHBondContact O-N 3.44Å; S177-L180 PolarHBondContact O-N 2.91Å; S177-K181 WeakPolarHBondContact O-CG 3.42Å; S177-K181 PolarHBondContact O-N 3.25Å
178	N	64.2	Low	56.2	Low	94 Å²	94	101.9 Å²	101.9	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-69.2	-40.3	177	-72.8	-17.1	0	0	0	111.4	S174 E175 L176 L180 K181 T182	S174-N178 WeakPolarHBondContact O-CB 3.43Å; S174-N178 VanDerWaalsContact O-CG 3.24Å; S174-N178 PolarHBondContact O-N 3.31Å; S174-N178 PolarHBondContact O-ND2 3.23Å; E175-N178 PolarHBondContact O-N 3.38Å; L176-N178 VanDerWaalsContact C-N 3.27Å; L176-N178 PolarHBondContact O-N 3.45Å; N178-L180 VanDerWaalsContact C-N 3.35Å; N178-K181 PolarHBondContact O-N 3.27Å; N178-T182 PolarHBondContact O-N 3.33Å; N178-T182 PolarHBondContact O-OG1 3.37Å
179	Q	59.8	Low	55.7	Low	35 Å²	35	97 Å²	97	16%	0.164	52%	0.519	C	S	.	.	H	α-helix	trans	-60.8	-44.5	172.9	-73.9	178	-3.3	0	0	111.5	L166 H171 E175 L176 K181 T182 Y183	L166-Q179 HydrophobicContact CD2-CB 3.74Å; H171-Q179 PolarHBondContact CD2-NE2 3.1Å; H171-Q179 VanDerWaalsContact CD2-NE2 3.27Å; H171-Q179 PolarHBondContact NE2-NE2 2.88Å; E175-Q179 WeakPolarHBondContact O-CG 3.39Å; E175-Q179 PolarHBondContact O-N 3.38Å; L176-Q179 PolarHBondContact O-N 3.36Å; Q179-K181 VanDerWaalsContact C-N 3.35Å; Q179-K181 PolarHBondContact O-N 3.03Å; Q179-T182 PolarHBondContact O-N 3.27Å; Q179-Y183 HydrophobicContact CB-CD2 4.13Å; Q179-Y183 HydrophobicContact CB-CE2 4.12Å; Q179-Y183 HydrophobicContact CG-CE2 4.3Å; Q179-Y183 WeakPolarHBondContact O-CB 3.46Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.4Å; Q179-Y183 PolarHBondContact O-N 3.15Å
180	L	60.5	Low	54.9	Low	71 Å²	71	96.6 Å²	96.6	37%	0.372	52%	0.517	S	S	.	.	H	α-helix	trans	-60.1	-44.7	176.7	-71.6	173.3	0	0	0	111.6	L166 L176 S177 N178 T182 Y183 F184	L166-L180 HydrophobicContact CD1-CD2 3.9Å; L166-L180 HydrophobicContact CD2-CD2 4.24Å; L176-L180 WeakPolarHBondContact O-CG 3.39Å; L176-L180 PolarHBondContact O-N 3.26Å; S177-L180 PolarHBondContact O-N 2.91Å; N178-L180 VanDerWaalsContact C-N 3.35Å; L180-T182 VanDerWaalsContact C-N 3.33Å; L180-T182 PolarHBondContact O-N 2.88Å; L180-Y183 PolarHBondContact O-N 3.29Å; L180-F184 HydrophobicContact CB-CD2 4.47Å; L180-F184 HydrophobicContact CD2-CD2 3.76Å; L180-F184 HydrophobicContact CD2-CE2 3.51Å; L180-F184 HydrophobicContact CD2-CZ 4.38Å; L180-F184 WeakPolarHBondContact O-CA 3.15Å; L180-F184 VanDerWaalsContact O-CB 3.24Å; L180-F184 WeakPolarHBondContact O-CB 3.07Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 3.34Å
181	K	61.4	Low	54.2	Low	150 Å²	150	91.7 Å²	91.7	65%	0.652	50%	0.495	S	S	*	.	H	α-helix	trans	-63.8	-37.2	176.6	-73.5	178	-178.2	-179.6	0	113	S177 N178 Q179	S177-K181 WeakPolarHBondContact O-CG 3.42Å; S177-K181 PolarHBondContact O-N 3.25Å; N178-K181 PolarHBondContact O-N 3.27Å; Q179-K181 VanDerWaalsContact C-N 3.35Å; Q179-K181 PolarHBondContact O-N 3.03Å
182	T	60.1	Low	53	Low	107 Å²	107	95 Å²	95	66%	0.656	51%	0.51	S	S	*	.	H	α-helix	trans	-72.6	-38.4	179.6	-57.6	0	0	0	0	112.4	N178 Q179 L180	N178-T182 PolarHBondContact O-N 3.33Å; N178-T182 PolarHBondContact O-OG1 3.37Å; Q179-T182 PolarHBondContact O-N 3.27Å; L180-T182 VanDerWaalsContact C-N 3.33Å; L180-T182 PolarHBondContact O-N 2.88Å
183	Y	52	Low	51.7	Low	108 Å²	108	99.1 Å²	99.1	42%	0.424	52%	0.524	S	S	.	.	H	α-helix	trans	-93.8	-22.2	-175.4	-64.1	-55.5	0	0	0	114.2	L165 Q179 L180	L165-Y183 HydrophobicContact CB-CD2 4.49Å; L165-Y183 HydrophobicContact CD2-CD1 3.71Å; L165-Y183 HydrophobicContact CD2-CD2 4.3Å; L165-Y183 HydrophobicContact CD2-CE1 3.39Å; L165-Y183 HydrophobicContact CD2-CE2 4.02Å; L165-Y183 HydrophobicContact CD2-CG 4.16Å; Q179-Y183 HydrophobicContact CB-CD2 4.13Å; Q179-Y183 HydrophobicContact CB-CE2 4.12Å; Q179-Y183 HydrophobicContact CG-CE2 4.3Å; Q179-Y183 WeakPolarHBondContact O-CB 3.46Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.4Å; Q179-Y183 PolarHBondContact O-N 3.15Å; L180-Y183 PolarHBondContact O-N 3.29Å
184	F	47.8	Very low	50.2	Low	93 Å²	93	100.8 Å²	100.8	41%	0.408	52%	0.521	S	S	.	.			trans	-116	78.6	179.2	-60.6	-98.9	0	0	0	109	Y162 L180 P186	Y162-F184 AromaticContact CD1-CZ 3.91Å; Y162-F184 HydrophobicContact CD1-CZ 3.91Å; Y162-F184 AromaticContact CE1-CE1 3.58Å; Y162-F184 HydrophobicContact CE1-CE1 3.58Å; Y162-F184 AromaticContact CE1-CE2 3.72Å; Y162-F184 HydrophobicContact CE1-CE2 3.72Å; Y162-F184 AromaticContact CE1-CZ 3.08Å; Y162-F184 HydrophobicContact CE1-CZ 3.08Å; Y162-F184 AromaticContact CZ-CE1 3.52Å; Y162-F184 AromaticContact CZ-CZ 3.58Å; Y162-F184 WeakPolarHBondContact OH-CE1 3.38Å; L180-F184 HydrophobicContact CB-CD2 4.47Å; L180-F184 HydrophobicContact CD2-CD2 3.76Å; L180-F184 HydrophobicContact CD2-CE2 3.51Å; L180-F184 HydrophobicContact CD2-CZ 4.38Å; L180-F184 WeakPolarHBondContact O-CA 3.15Å; L180-F184 VanDerWaalsContact O-CB 3.24Å; L180-F184 WeakPolarHBondContact O-CB 3.07Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 3.34Å; F184-P186 WeakPolarHBondContact O-CD 3.17Å
185	E	47.1	Very low	48.5	Very low	164 Å²	164	106.4 Å²	106.4	77%	0.766	53%	0.532	S	S	*	.			trans	-67.6	123.7	158.3	-81.8	-168	150.1	0	0	108	T187	E185-T187 PolarHBondContact O-N 3.28Å
186	P	45.3	Very low	46.8	Very low	119 Å²	119	108.5 Å²	108.5	77%	0.773	55%	0.551	S	S	*	*			trans	-62.9	104.8	173.3	24.1	-29.9	0	0	0	108.1	F184 I188	F184-P186 WeakPolarHBondContact O-CD 3.17Å; P186-I188 PolarHBondContact O-N 3.21Å; P186-I188 VanDerWaalsContact O-N 3.13Å
187	T	42.3	Very low	45.2	Very low	106 Å²	106	111.9 Å²	111.9	65%	0.65	58%	0.577	S	S	*	*			trans	-67.1	113.9	169.8	-51.8	0	0	0	0	106.4	E185 I189	E185-T187 PolarHBondContact O-N 3.28Å; T187-I189 VanDerWaalsContact C-N 3.34Å; T187-I189 PolarHBondContact O-N 2.99Å
188	I	42.9	Very low	43.7	Very low	160 Å²	160	118.2 Å²	118.2	82%	0.821	60%	0.601	S	S	*	*			trans	-68	97.3	175.2	-60.4	174.1	0	0	0	106.7	P186 N190	P186-I188 PolarHBondContact O-N 3.21Å; P186-I188 VanDerWaalsContact O-N 3.13Å; I188-N190 PolarHBondContact O-N 2.99Å
189	I	36.3	Very low	42	Very low	70 Å²	70	117.9 Å²	117.9	36%	0.359	61%	0.606	S	S	.	*			trans	-77.6	114.2	174.7	-54.2	170.8	0	0	0	107.1	I149 M152 T187 C191	I149-I189 HydrophobicContact CD1-CG2 3.88Å; M152-I189 HydrophobicContact CE-CD1 4.07Å; M152-I189 HydrophobicContact CE-CG1 4.16Å; M152-I189 HydrophobicContact SD-CD1 3.48Å; M152-I189 WeakPolarHBondContact SD-CD1 3.29Å; M152-I189 HydrophobicContact SD-CG1 4.03Å; T187-I189 VanDerWaalsContact C-N 3.34Å; T187-I189 PolarHBondContact O-N 2.99Å; I189-C191 VanDerWaalsContact C-N 3.31Å; I189-C191 VanDerWaalsContact CG2-SG 3.52Å; I189-C191 PolarHBondContact O-N 3.04Å
190	N	32.9	Very low	40.5	Very low	127 Å²	127	122.3 Å²	122.3	68%	0.679	64%	0.636	S	S	*	*			trans	-80.2	82.5	175.8	-153.1	4.2	0	0	0	108.5	I188 Q192	I188-N190 PolarHBondContact O-N 2.99Å; N190-Q192 PolarHBondContact O-N 2.95Å
191	C	36.5	Very low	38.8	Very low	48 Å²	48	124.4 Å²	124.4	32%	0.324	65%	0.651	S	S	.	*			trans	-77.8	120.4	179.3	-61.8	0	0	0	0	110.4	F141 I149 I189 H193	F141-C191 HydrophobicContact CD1-CB 3.89Å; I149-C191 VanDerWaalsContact CD1-SG 3.53Å; I189-C191 VanDerWaalsContact C-N 3.31Å; I189-C191 VanDerWaalsContact CG2-SG 3.52Å; I189-C191 PolarHBondContact O-N 3.04Å; C191-H193 PolarHBondContact O-N 2.88Å
192	Q	32.6	Very low	37.1	Very low	136 Å²	136	124.8 Å²	124.8	64%	0.636	66%	0.66	S	S	*	*	B	Isolated β-bridge	trans	-82.7	107.7	162.2	-73.3	-173.7	-19.8	0	0	107.9	I142 N190 Q194	I142-Q192 PolarHBondContact O-N 2.77Å; N190-Q192 PolarHBondContact O-N 2.95Å; Q192-Q194 PolarHBondContact O-N 3.02Å
193	H	37	Very low	35.4	Very low	137 Å²	137	127.7 Å²	127.7	63%	0.634	67%	0.667	S	S	*	*			trans	-65.4	97.6	167.1	-97.3	102.2	0	0	0	108.5	F141 C191 R195	F141-H193 AromaticContact CE1-CE1 3.4Å; F141-H193 VanDerWaalsContact CE1-CE1 3.4Å; F141-H193 WeakPolarHBondContact CE1-CE1 3.47Å; F141-H193 AromaticContact CE1-ND1 3.9Å; F141-H193 AromaticContact CE1-NE2 3.46Å; F141-H193 WeakPolarHBondContact CE1-NE2 3.49Å; F141-H193 AromaticContact CZ-NE2 3.93Å; C191-H193 PolarHBondContact O-N 2.88Å; H193-R195 PolarHBondContact O-N 3.06Å
194	Q	30.3	Very low	34	Very low	149 Å²	149	131.6 Å²	131.6	70%	0.696	68%	0.682	S	S	*	*			trans	-73.2	102.9	160.1	-110	-179.1	-15.8	0	0	106.9	Q192 T196	Q192-Q194 PolarHBondContact O-N 3.02Å; Q194-T196 PolarHBondContact O-N 3.33Å
195	R	33.8	Very low	33	Very low	190 Å²	190	133 Å²	133	72%	0.717	70%	0.702	S	S	*	*			trans	-56.5	110.3	161.6	-83.1	-176.8	170.8	177.8	-1.8	106.3	M81 H193 S197	M81-R195 PolarHBondContact SD-NH2 2.94Å; H193-R195 PolarHBondContact O-N 3.06Å; R195-S197 PolarHBondContact O-N 2.94Å
196	T	31.4	Very low	31.9	Very low	127 Å²	127	134.2 Å²	134.2	78%	0.779	71%	0.708	S	S	*	*			trans	-52.5	117.7	159.5	31.7	0	0	0	0	106	Q194 Q198	Q194-T196 PolarHBondContact O-N 3.33Å; T196-Q198 PolarHBondContact O-N 2.91Å
197	S	30.8	Very low	30.9	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	70%	0.702	S	S	*	*			trans	-51.5	115.4	172.5	49.4	0	0	0	0	105.7	R195 S199	R195-S197 PolarHBondContact O-N 2.94Å; S197-S199 VanDerWaalsContact C-N 3.3Å; S197-S199 PolarHBondContact O-N 3.47Å
198	Q	32.8	Very low	30.1	Very low	183 Å²	183	137.9 Å²	137.9	86%	0.855	71%	0.707	S	S	*	*			trans	-36	97.6	-177.9	-79.3	172.2	-33.1	0	0	108.6	T196 T200	T196-Q198 PolarHBondContact O-N 2.91Å; Q198-T200 PolarHBondContact O-N 3.31Å
199	S	27.5	Very low	29.4	Very low	87 Å²	87	138.8 Å²	138.8	61%	0.608	71%	0.712	S	S	*	*			trans	-62.7	140	167.6	69.5	0	0	0	0	103.7	S197 V201	S197-S199 VanDerWaalsContact C-N 3.3Å; S197-S199 PolarHBondContact O-N 3.47Å; S199-V201 PolarHBondContact O-N 3.05Å; S199-V201 VanDerWaalsContact OG-CG2 3.31Å; S199-V201 WeakPolarHBondContact OG-CG2 3.2Å
200	T	28.4	Very low	28.8	Very low	128 Å²	128	141.9 Å²	141.9	79%	0.785	73%	0.729	S	S	*	*	S	Bend	trans	-63.7	38.6	-173.7	35.1	0	0	0	0	113.7	Q198 N202	Q198-T200 PolarHBondContact O-N 3.31Å; T200-N202 VanDerWaalsContact C-N 3.29Å; T200-N202 PolarHBondContact O-N 3.12Å
201	V	25.5	Very low	28.5	Very low	114 Å²	114	144.8 Å²	144.8	69%	0.691	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	13.3	-179.9	-168.4	0	0	0	0	111.5	S199	S199-V201 PolarHBondContact O-N 3.05Å; S199-V201 VanDerWaalsContact OG-CG2 3.31Å; S199-V201 WeakPolarHBondContact OG-CG2 3.2Å
202	N	25.2	Very low	28.1	Very low	158 Å²	158	157.3 Å²	157.3	85%	0.845	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	21.7	171	-87.7	-17.6	0	0	0	114.1	T200	T200-N202 VanDerWaalsContact C-N 3.29Å; T200-N202 PolarHBondContact O-N 3.12Å
203	Q	25.4	Very low	27.8	Very low	168 Å²	168	158.4 Å²	158.4	79%	0.785	79%	0.788	S	S	*	*	S	Bend	trans	-115.7	1.5	174.1	-84	-172	-17	0	0	116.4
204	Y	23.2	Very low	27.4	Very low	191 Å²	191	159.5 Å²	159.5	75%	0.749	80%	0.796	S	S	*	*	S	Bend	trans	-108.1	95.5	171.5	-101.8	-91	0	0	0	110.6	H207	Y204-H207 AromaticContact CD1-CD2 3.98Å; Y204-H207 AromaticContact CE1-CD2 3.84Å; Y204-H207 AromaticContact CE1-NE2 3.46Å; Y204-H207 WeakPolarHBondContact CE1-NE2 3.47Å
205	C	25.1	Very low	27.2	Very low	123 Å²	123	160.1 Å²	160.1	83%	0.831	80%	0.802	S	S	*	*	S	Bend	trans	164.7	20.7	147.2	-86.5	0	0	0	0	112.7	H207	C205-H207 PolarHBondContact O-N 2.78Å
206	Q	24.5	Very low	26.8	Very low	189 Å²	189	158.3 Å²	158.3	88%	0.883	81%	0.807	S	S	*	*			trans	-86.2	46.8	152.4	-129.2	179.9	1.6	0	0	109.3	H208	Q206-H208 PolarHBondContact O-N 2.93Å
207	H	24.8	Very low	26.5	Very low	140 Å²	140	160.3 Å²	160.3	65%	0.648	81%	0.809	S	S	*	*			trans	-79.7	116	173.1	-107.8	-83.2	0	0	0	108.5	Y204 C205 L209	Y204-H207 AromaticContact CD1-CD2 3.98Å; Y204-H207 AromaticContact CE1-CD2 3.84Å; Y204-H207 AromaticContact CE1-NE2 3.46Å; Y204-H207 WeakPolarHBondContact CE1-NE2 3.47Å; C205-H207 PolarHBondContact O-N 2.78Å; H207-L209 PolarHBondContact O-N 3.16Å
208	H	24.6	Very low	26.2	Very low	162 Å²	162	163.7 Å²	163.7	75%	0.75	81%	0.812	S	S	*	*			trans	-43.4	117	176.3	-62.1	-180	0	0	0	112.3	Q206 N210	Q206-H208 PolarHBondContact O-N 2.93Å; H208-N210 VanDerWaalsContact C-N 3.34Å
209	L	28.6	Very low	25.8	Very low	179 Å²	179	162.3 Å²	162.3	94%	0.937	81%	0.809	S	S	*	*			trans	-101.1	66.2	152.1	-76.2	167.2	0	0	0	107.9	H207	H207-L209 PolarHBondContact O-N 3.16Å
210	N	23.8	Very low	25.6	Very low	134 Å²	134	168.1 Å²	168.1	72%	0.717	82%	0.824	S	S	*	*			trans	-98	98.6	152.7	-89.7	-21.7	0	0	0	105.8	H208	H208-N210 VanDerWaalsContact C-N 3.34Å
211	H	26	Very low	25.4	Very low	189 Å²	189	171.4 Å²	171.4	88%	0.875	83%	0.827	S	S	*	*			trans	-147.2	118.5	147.4	-86.5	-66.9	0	0	0	107.8
212	Y	28.2	Very low	25.4	Very low	310 Å²	310	176.6 Å²	176.6	100%	1.216	84%	0.84	S	S	*	*			trans	-33.1	0	171.4	-74.8	-95.7	0	0	0	115.5

Retrieved 212 of 212 residues in 169.4 ms (Link to these results)

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