A0A077ZC88_TRITR Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZC88, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 371 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	31.1	Very low	28.3	Very low	231 Å²	231	133.2 Å²	133.2	100%	1.138	81%	0.814	S	S	*	*				0	90.7	0	-76.6	168.3	124.1	0	0	106.8
2	T	26.3	Very low	28.2	Very low	126 Å²	126	128.4 Å²	128.4	77%	0.773	80%	0.799	S	S	*	*				53.2	109	103.8	54.6	0	0	0	0	110.1
3	I	30.4	Very low	28.4	Very low	164 Å²	164	127.5 Å²	127.5	84%	0.841	78%	0.783	S	S	*	*				-144.9	125.2	64.4	-73.1	152.8	0	0	0	110.9
4	V	28.2	Very low	28.3	Very low	154 Å²	154	123.5 Å²	123.5	93%	0.933	77%	0.77	S	S	*	*			trans	-81.2	122.8	156.8	170.3	0	0	0	0	106.5
5	G	28.4	Very low	28.2	Very low	71 Å²	71	121.5 Å²	121.5	73%	0.732	76%	0.762	S	S	*	*			trans	-173	124.9	172.6	0	0	0	0	0	107.9
6	G	26.5	Very low	28	Very low	64 Å²	64	122.8 Å²	122.8	66%	0.66	76%	0.761	S	S	*	*			cis	152	109.3	15	0	0	0	0	0	106	L8	G6-L8 VanDerWaalsContact C-N 3.3Å; G6-L8 PolarHBondContact O-N 3.14Å
7	N	29	Very low	27.9	Very low	170 Å²	170	125.5 Å²	125.5	91%	0.909	76%	0.759	S	S	*	*	S	Bend	trans	-11.9	64.9	156.4	-68.6	-19.6	0	0	0	118.3
8	L	27.5	Very low	27.8	Very low	149 Å²	149	126.2 Å²	126.2	78%	0.78	76%	0.757	S	S	*	*			trans	-141.1	7.1	174.2	-88.2	167.6	0	0	0	115.2	G6	G6-L8 VanDerWaalsContact C-N 3.3Å; G6-L8 PolarHBondContact O-N 3.14Å
9	L	27.6	Very low	27.6	Very low	157 Å²	157	125.4 Å²	125.4	82%	0.822	75%	0.752	S	S	*	*	S	Bend	trans	-106.4	1.9	176.6	-104.3	128.8	0	0	0	114.7
10	A	27.9	Very low	27.3	Very low	92 Å²	92	128.7 Å²	128.7	76%	0.76	76%	0.756	S	S	*	*	S	Bend	trans	-92.2	-9.3	-179	0	0	0	0	0	114.5
11	S	28.9	Very low	27.2	Very low	87 Å²	87	127.5 Å²	127.5	61%	0.608	76%	0.755	S	S	*	*	S	Bend	trans	-105	-3.9	-177.4	62.8	0	0	0	0	115.2
12	A	27.2	Very low	26.8	Very low	76 Å²	76	123 Å²	123	63%	0.628	74%	0.74	S	S	*	*	S	Bend	trans	-90.3	-10.5	175.9	0	0	0	0	0	113.6
13	I	30	Very low	26.6	Very low	116 Å²	116	128.6 Å²	128.6	60%	0.595	75%	0.747	S	S	*	*	S	Bend	trans	-88.4	-17.2	-178.7	-62.4	174.5	0	0	0	111.7
14	A	27.1	Very low	26.2	Very low	72 Å²	72	125.4 Å²	125.4	60%	0.595	75%	0.745	S	S	*	*	S	Bend	trans	-84.5	-18.8	-177.7	0	0	0	0	0	114.5
15	S	26.5	Very low	25.9	Very low	93 Å²	93	126.3 Å²	126.3	65%	0.65	74%	0.739	S	S	*	*	S	Bend	trans	-103.2	-3.9	-172.3	-50.2	0	0	0	0	114.6
16	L	26.1	Very low	25.5	Very low	143 Å²	143	129.3 Å²	129.3	75%	0.749	74%	0.744	S	S	*	*	S	Bend	trans	-89.9	-8.8	175.5	-148.5	81.5	0	0	0	113
17	F	26.5	Very low	25.2	Very low	168 Å²	168	132.1 Å²	132.1	74%	0.737	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	2.2	-176.7	-89.8	-81.6	0	0	0	115.2
18	I	26	Very low	24.8	Very low	138 Å²	138	131.3 Å²	131.3	71%	0.708	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-4.1	-174.6	-61.2	178.9	0	0	0	113.1
19	V	22.6	Very low	24.4	Very low	111 Å²	111	127.9 Å²	127.9	67%	0.673	73%	0.73	S	S	*	*	S	Bend	trans	-112.9	-2.2	-168.7	-177	0	0	0	0	115.7
20	F	23.1	Very low	24.1	Very low	191 Å²	191	125.7 Å²	125.7	84%	0.838	73%	0.725	S	S	*	*	S	Bend	trans	-125.2	15.6	-176.2	-81.6	-73.7	0	0	0	118.2
21	S	23.7	Very low	23.8	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	73%	0.727	S	S	*	*	S	Bend	trans	-120	2.3	-179.3	-50.2	0	0	0	0	115.5	R23	S21-R23 PolarHBondContact O-N 3.48Å
22	V	23	Very low	23.6	Very low	136 Å²	136	135.6 Å²	135.6	82%	0.824	74%	0.739	S	S	*	*			trans	-102.8	63.1	-177.2	-152	0	0	0	0	111.3
23	R	21.8	Very low	23.6	Very low	245 Å²	245	135.7 Å²	135.7	93%	0.925	73%	0.728	S	S	*	*			trans	-154.5	55.3	159.9	-105.6	-176.5	-171.4	174.3	2.4	108.7	S21	S21-R23 PolarHBondContact O-N 3.48Å
24	A	23.1	Very low	23.5	Very low	97 Å²	97	133.1 Å²	133.1	80%	0.802	72%	0.715	S	S	*	*			trans	-86.2	108	155.7	0	0	0	0	0	106.2	T26	A24-T26 PolarHBondContact O-N 2.75Å
25	E	20.9	Very low	23.5	Very low	172 Å²	172	132 Å²	132	80%	0.804	71%	0.706	S	S	*	*			trans	-52.7	133.5	177.3	-73.2	162.7	153.2	0	0	110.9	T27	E25-T27 PolarHBondContact O-N 3.04Å; E25-T27 PolarHBondContact O-OG1 3.27Å
26	T	20.7	Very low	23.7	Very low	134 Å²	134	136.3 Å²	136.3	82%	0.822	72%	0.716	S	S	*	*			trans	-40.7	93.5	166.9	46.4	0	0	0	0	111.7	A24	A24-T26 PolarHBondContact O-N 2.75Å
27	T	20.7	Very low	23.9	Very low	123 Å²	123	136.9 Å²	136.9	76%	0.755	71%	0.713	S	S	*	*			trans	-106.4	89.8	165.2	-41.8	0	0	0	0	106.6	E25 C29	E25-T27 PolarHBondContact O-N 3.04Å; E25-T27 PolarHBondContact O-OG1 3.27Å; T27-C29 PolarHBondContact O-N 3.35Å
28	I	19.1	Very low	23.9	Very low	154 Å²	154	132.8 Å²	132.8	79%	0.79	70%	0.698	S	S	*	*			trans	-57.2	108.1	176.8	-64.6	166.6	0	0	0	107.9
29	C	20	Very low	24	Very low	77 Å²	77	130.1 Å²	130.1	52%	0.52	69%	0.69	S	S	.	*			trans	-74.2	131.2	164.4	-80	0	0	0	0	107.9	T27 Y31	T27-C29 PolarHBondContact O-N 3.35Å; C29-Y31 PolarHBondContact O-N 2.93Å
30	P	20.5	Very low	24.6	Very low	111 Å²	111	127.4 Å²	127.4	72%	0.721	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	10	-176.4	-18.2	30.6	0	0	0	115.9
31	Y	22.8	Very low	25.1	Very low	206 Å²	206	123.1 Å²	123.1	81%	0.808	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.3	59.2	-177	-61.3	-77.8	0	0	0	111.5	C29 I33	C29-Y31 PolarHBondContact O-N 2.93Å; Y31-I33 PolarHBondContact O-N 3.34Å
32	E	23.7	Very low	25.6	Very low	181 Å²	181	121.4 Å²	121.4	85%	0.846	64%	0.642	S	S	*	*			trans	-82.4	93.8	155.9	-101.2	179.9	164.2	0	0	107.8	D34	E32-D34 PolarHBondContact O-N 3.39Å
33	I	27.1	Very low	26.4	Very low	77 Å²	77	118.7 Å²	118.7	40%	0.395	62%	0.623	S	S	.	*			trans	-78.2	104.9	162.3	-63.6	171.6	0	0	0	105.5	Y31 A35 N38 W41	Y31-I33 PolarHBondContact O-N 3.34Å; I33-A35 PolarHBondContact O-N 2.82Å; I33-N38 HydrophobicContact CG2-CB 4.25Å; I33-W41 HydrophobicContact CB-CE3 4.37Å; I33-W41 HydrophobicContact CB-CH2 4.33Å; I33-W41 HydrophobicContact CB-CZ3 4.03Å; I33-W41 HydrophobicContact CD1-CD2 4.24Å; I33-W41 HydrophobicContact CD1-CE3 4.38Å; I33-W41 HydrophobicContact CD1-CH2 3.68Å; I33-W41 HydrophobicContact CD1-CZ2 3.51Å; I33-W41 HydrophobicContact CD1-CZ3 4.11Å; I33-W41 HydrophobicContact CG2-CD2 4.2Å; I33-W41 HydrophobicContact CG2-CE3 3.69Å; I33-W41 HydrophobicContact CG2-CH2 4.5Å; I33-W41 HydrophobicContact CG2-CZ3 3.85Å
34	D	28.1	Very low	27.5	Very low	63 Å²	63	113.7 Å²	113.7	34%	0.337	61%	0.605	S	S	.	*			trans	-59.3	105.1	175.1	-172.4	-13.7	0	0	0	109.4	E32 E36 K37 N38	E32-D34 PolarHBondContact O-N 3.39Å; D34-E36 PolarHBondContact O-N 3.12Å; D34-E36 PolarHBondContact OD1-N 2.79Å; D34-K37 HydrophobicContact CB-CB 4.13Å; D34-K37 HydrophobicContact CB-CD 4.27Å; D34-K37 HydrophobicContact CB-CG 4.21Å; D34-K37 PolarHBondContact O-N 2.03Å; D34-K37 WeakPolarHBondContact OD2-CD 3.39Å; D34-K37 WeakPolarHBondContact OD2-CE 3.43Å; D34-K37 WeakPolarHBondContact OD2-CG 3.27Å; D34-K37 IonicContact OD2-NZ 2.84Å; D34-K37 PolarHBondContact OD2-NZ 2Å; D34-N38 PolarHBondContact O-N 2.66Å
35	A	27.1	Very low	28.4	Very low	49 Å²	49	109.4 Å²	109.4	41%	0.405	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	-27.1	-174.7	0	0	0	0	0	112.1	I33 K37 F42	I33-A35 PolarHBondContact O-N 2.82Å; A35-K37 VanDerWaalsContact C-N 3.3Å; A35-F42 HydrophobicContact CB-CD2 4.38Å
36	E	30.2	Very low	29.4	Very low	182 Å²	182	104.7 Å²	104.7	85%	0.85	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.9	174.4	-66	-172.2	160.3	0	0	112	D34	D34-E36 PolarHBondContact O-N 3.12Å; D34-E36 PolarHBondContact OD1-N 2.79Å
37	K	31	Very low	30.5	Very low	156 Å²	156	104.3 Å²	104.3	68%	0.678	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.7	179.4	-67.9	-172.3	-179.8	112.5	0	114.4	D34 A35	D34-K37 HydrophobicContact CB-CB 4.13Å; D34-K37 HydrophobicContact CB-CD 4.27Å; D34-K37 HydrophobicContact CB-CG 4.21Å; D34-K37 PolarHBondContact O-N 2.03Å; D34-K37 WeakPolarHBondContact OD2-CD 3.39Å; D34-K37 WeakPolarHBondContact OD2-CE 3.43Å; D34-K37 WeakPolarHBondContact OD2-CG 3.27Å; D34-K37 IonicContact OD2-NZ 2.84Å; D34-K37 PolarHBondContact OD2-NZ 2Å; A35-K37 VanDerWaalsContact C-N 3.3Å
38	N	27	Very low	31.6	Very low	81 Å²	81	100 Å²	100	43%	0.433	50%	0.503	S	S	.	.			trans	-137.4	60	-176.2	-68.6	-82.8	0	0	0	113.5	I33 D34 G40 W41 F42	I33-N38 HydrophobicContact CG2-CB 4.25Å; D34-N38 PolarHBondContact O-N 2.66Å; N38-G40 VanDerWaalsContact C-N 3.29Å; N38-G40 PolarHBondContact O-N 3.17Å; N38-W41 HydrophobicContact CB-CB 4.24Å; N38-W41 PolarHBondContact O-N 3.22Å; N38-W41 VanDerWaalsContact O-N 3.11Å; N38-F42 PolarHBondContact O-N 3.12Å
39	P	28.4	Very low	32.5	Very low	82 Å²	82	92.8 Å²	92.8	53%	0.532	47%	0.467	S	S	.	.	H	α-helix	trans	-59.6	-35.4	-173.8	22.1	-32.7	0	0	0	113.5	W41 F42 D43	P39-W41 VanDerWaalsContact C-N 3.34Å; P39-W41 PolarHBondContact O-N 3.26Å; P39-F42 PolarHBondContact O-N 3.07Å; P39-D43 PolarHBondContact O-N 3.49Å
40	G	33.6	Very low	33.4	Very low	54 Å²	54	91.4 Å²	91.4	56%	0.557	45%	0.454	S	S	*	.	H	α-helix	trans	-67.9	-28.3	178.9	0	0	0	0	0	114.6	N38 Y44	N38-G40 VanDerWaalsContact C-N 3.29Å; N38-G40 PolarHBondContact O-N 3.17Å; G40-Y44 WeakPolarHBondContact O-CB 3.07Å; G40-Y44 PolarHBondContact O-N 2.7Å
41	W	34.8	Very low	34.2	Very low	102 Å²	102	89.6 Å²	89.6	39%	0.386	44%	0.441	S	S	.	.	H	α-helix	trans	-74.8	-38.3	175.7	178.2	84.9	0	0	0	111.3	I33 N38 P39 T45 L75	I33-W41 HydrophobicContact CB-CE3 4.37Å; I33-W41 HydrophobicContact CB-CH2 4.33Å; I33-W41 HydrophobicContact CB-CZ3 4.03Å; I33-W41 HydrophobicContact CD1-CD2 4.24Å; I33-W41 HydrophobicContact CD1-CE3 4.38Å; I33-W41 HydrophobicContact CD1-CH2 3.68Å; I33-W41 HydrophobicContact CD1-CZ2 3.51Å; I33-W41 HydrophobicContact CD1-CZ3 4.11Å; I33-W41 HydrophobicContact CG2-CD2 4.2Å; I33-W41 HydrophobicContact CG2-CE3 3.69Å; I33-W41 HydrophobicContact CG2-CH2 4.5Å; I33-W41 HydrophobicContact CG2-CZ3 3.85Å; N38-W41 HydrophobicContact CB-CB 4.24Å; N38-W41 PolarHBondContact O-N 3.22Å; N38-W41 VanDerWaalsContact O-N 3.11Å; P39-W41 VanDerWaalsContact C-N 3.34Å; P39-W41 PolarHBondContact O-N 3.26Å; W41-T45 WeakPolarHBondContact O-CB 3.3Å; W41-T45 PolarHBondContact O-N 2.95Å; W41-T45 VanDerWaalsContact O-N 3.12Å; W41-T45 PolarHBondContact O-OG1 2.91Å; W41-L75 HydrophobicContact CE3-CD2 4.25Å; W41-L75 HydrophobicContact CH2-CD1 4.3Å; W41-L75 HydrophobicContact CH2-CD2 4Å; W41-L75 HydrophobicContact CH2-CG 3.85Å; W41-L75 HydrophobicContact CZ3-CD2 3.53Å; W41-L75 HydrophobicContact CZ3-CG 3.93Å
42	F	33.5	Very low	34.8	Very low	67 Å²	67	80.6 Å²	80.6	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-49.9	175.4	-175.9	-94.8	0	0	0	111.3	A35 N38 P39 T45 R46 L75	A35-F42 HydrophobicContact CB-CD2 4.38Å; N38-F42 PolarHBondContact O-N 3.12Å; P39-F42 PolarHBondContact O-N 3.07Å; F42-T45 PolarHBondContact O-N 3.07Å; F42-R46 WeakPolarHBondContact O-CB 3.49Å; F42-R46 PolarHBondContact O-N 3.39Å; F42-L75 HydrophobicContact CD2-CD2 3.35Å; F42-L75 HydrophobicContact CE2-CD2 3.77Å; F42-L75 HydrophobicContact CG-CD2 4.31Å
43	D	40.1	Very low	35.3	Very low	79 Å²	79	72.2 Å²	72.2	42%	0.422	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-43.7	-179.7	-81.3	-31.2	0	0	0	113.2	P39 T45 R46 Q47	P39-D43 PolarHBondContact O-N 3.49Å; D43-T45 PolarHBondContact O-N 3.26Å; D43-R46 PolarHBondContact O-N 2.91Å; D43-R46 IonicContact OD1-NH1 3.8Å; D43-Q47 PolarHBondContact O-N 3.44Å
44	Y	44.7	Very low	35.3	Very low	141 Å²	141	70.6 Å²	70.6	55%	0.553	37%	0.372	S	S	*	.	H	α-helix	trans	-61.7	-43.5	177.5	174.7	-102.3	0	0	0	112.2	G40 Q47 K48	G40-Y44 WeakPolarHBondContact O-CB 3.07Å; G40-Y44 PolarHBondContact O-N 2.7Å; Y44-Q47 PolarHBondContact O-N 2.76Å; Y44-K48 HydrophobicContact CD1-CD 4.4Å; Y44-K48 HydrophobicContact CE1-CD 3.78Å; Y44-K48 HydrophobicContact CE1-CG 4.48Å; Y44-K48 PolarHBondContact O-N 3.5Å
45	T	42	Very low	35.4	Very low	6 Å²	6	69.5 Å²	69.5	4%	0.037	37%	0.369	C	S	.	.	H	α-helix	trans	-76.1	-34.7	-177.6	-45	0	0	0	0	111.3	W41 F42 D43 K48 C49 E71 L75	W41-T45 WeakPolarHBondContact O-CB 3.3Å; W41-T45 PolarHBondContact O-N 2.95Å; W41-T45 VanDerWaalsContact O-N 3.12Å; W41-T45 PolarHBondContact O-OG1 2.91Å; F42-T45 PolarHBondContact O-N 3.07Å; D43-T45 PolarHBondContact O-N 3.26Å; T45-K48 WeakPolarHBondContact O-CB 3.31Å; T45-K48 PolarHBondContact O-N 3.21Å; T45-C49 PolarHBondContact O-N 3.32Å; T45-C49 PolarHBondContact O-SG 3.24Å; T45-E71 HydrophobicContact CG2-CB 4.45Å; T45-L75 HydrophobicContact CG2-CD1 3.07Å; T45-L75 HydrophobicContact CG2-CG 4.49Å
46	R	42.7	Very low	35.5	Very low	73 Å²	73	76.6 Å²	76.6	28%	0.275	39%	0.394	S	S	.	.	H	α-helix	trans	-57.5	-47.9	168.3	172.9	170.8	172.2	-119	-0	112	F42 D43 K48 C49 I50 I105 S107	F42-R46 WeakPolarHBondContact O-CB 3.49Å; F42-R46 PolarHBondContact O-N 3.39Å; D43-R46 PolarHBondContact O-N 2.91Å; D43-R46 IonicContact OD1-NH1 3.8Å; R46-K48 PolarHBondContact O-N 3.11Å; R46-C49 WeakPolarHBondContact O-CB 2.95Å; R46-C49 PolarHBondContact O-N 2.92Å; R46-I50 HydrophobicContact CG-CD1 3.96Å; R46-I50 VanDerWaalsContact O-CG1 3.31Å; R46-I50 WeakPolarHBondContact O-CG1 3.18Å; R46-I50 PolarHBondContact O-N 2.82Å; R46-I105 WeakPolarHBondContact CD-O 3.35Å; R46-I105 VanDerWaalsContact CG-O 3.26Å; R46-I105 WeakPolarHBondContact CG-O 3.45Å; R46-I105 PolarHBondContact NE-O 3.28Å; R46-S107 VanDerWaalsContact NH2-CB 3.28Å; R46-S107 PolarHBondContact NH2-OG 2.98Å
47	Q	43.3	Very low	35.4	Very low	127 Å²	127	73.5 Å²	73.5	59%	0.593	38%	0.383	S	S	*	.	H	α-helix	trans	-64.5	-37.6	175.2	-94.3	165.2	-25.3	0	0	113	D43 Y44 I50 T51	D43-Q47 PolarHBondContact O-N 3.44Å; Y44-Q47 PolarHBondContact O-N 2.76Å; Q47-I50 PolarHBondContact O-N 3.26Å; Q47-T51 VanDerWaalsContact O-CB 3.3Å; Q47-T51 WeakPolarHBondContact O-CB 3.02Å; Q47-T51 PolarHBondContact O-N 2.84Å; Q47-T51 PolarHBondContact O-OG1 2.97Å
48	K	43.3	Very low	35.2	Very low	31 Å²	31	71.8 Å²	71.8	14%	0.135	39%	0.388	C	S	.	.	H	α-helix	trans	-57.9	-46.7	170.2	-104.2	-179.7	163.1	-164.8	0	111.8	Y44 T45 R46 T51 A52 E71	Y44-K48 HydrophobicContact CD1-CD 4.4Å; Y44-K48 HydrophobicContact CE1-CD 3.78Å; Y44-K48 HydrophobicContact CE1-CG 4.48Å; Y44-K48 PolarHBondContact O-N 3.5Å; T45-K48 WeakPolarHBondContact O-CB 3.31Å; T45-K48 PolarHBondContact O-N 3.21Å; R46-K48 PolarHBondContact O-N 3.11Å; K48-T51 PolarHBondContact O-N 2.91Å; K48-A52 WeakPolarHBondContact O-CB 3.02Å; K48-A52 PolarHBondContact O-N 3.01Å; K48-E71 IonicContact NZ-OE1 2.7Å; K48-E71 PolarHBondContact NZ-OE1 3.39Å; K48-E71 IonicContact NZ-OE2 3.27Å; K48-E71 PolarHBondContact NZ-OE2 2.98Å
49	C	39.4	Very low	35.2	Very low	4 Å²	4	76.3 Å²	76.3	3%	0.027	41%	0.407	C	S	.	.	H	α-helix	trans	-63.5	-46.2	177.9	-63	0	0	0	0	111.6	T45 R46 T51 A52 F53 C72 L106	T45-C49 PolarHBondContact O-N 3.32Å; T45-C49 PolarHBondContact O-SG 3.24Å; R46-C49 WeakPolarHBondContact O-CB 2.95Å; R46-C49 PolarHBondContact O-N 2.92Å; C49-T51 VanDerWaalsContact C-N 3.35Å; C49-T51 PolarHBondContact O-N 3Å; C49-A52 WeakPolarHBondContact O-CB 3.43Å; C49-A52 PolarHBondContact O-N 2.64Å; C49-A52 VanDerWaalsContact O-N 3.16Å; C49-F53 HydrophobicContact CB-CD2 4.42Å; C49-F53 HydrophobicContact CB-CE2 4.28Å; C49-F53 WeakPolarHBondContact O-CD2 3.3Å; C49-F53 PolarHBondContact O-N 2.8Å; C49-F53 VanDerWaalsContact O-N 3.08Å; C49-C72 HydrophobicContact CB-CB 4.26Å; C49-C72 WeakPolarHBondContact CB-SG 3.47Å; C49-C72 WeakPolarHBondContact SG-CB 2.96Å; C49-C72 CovalentContact SG-SG 2.02Å; C49-C72 PolarHBondContact SG-SG 3.14Å; C49-L106 HydrophobicContact CB-CD2 3.3Å
50	I	38.3	Very low	35.2	Very low	48 Å²	48	77.3 Å²	77.3	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-59.2	-46.1	175.8	-65.5	163.8	0	0	0	110.9	R46 Q47 A52 F53 G54 L106 V108	R46-I50 HydrophobicContact CG-CD1 3.96Å; R46-I50 VanDerWaalsContact O-CG1 3.31Å; R46-I50 WeakPolarHBondContact O-CG1 3.18Å; R46-I50 PolarHBondContact O-N 2.82Å; Q47-I50 PolarHBondContact O-N 3.26Å; I50-A52 VanDerWaalsContact C-N 3.27Å; I50-A52 PolarHBondContact O-N 3.19Å; I50-F53 PolarHBondContact O-N 3.07Å; I50-G54 PolarHBondContact O-N 3.19Å; I50-L106 WeakPolarHBondContact CD1-O 3.37Å; I50-L106 HydrophobicContact CG1-CB 3.97Å; I50-L106 HydrophobicContact CG1-CD2 3.91Å; I50-L106 WeakPolarHBondContact CG1-O 3.47Å; I50-V108 HydrophobicContact CG1-CG2 4.43Å; I50-V108 HydrophobicContact CG2-CG2 4.08Å
51	T	37.3	Very low	35.1	Very low	73 Å²	73	77.9 Å²	77.9	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-71	-22.8	179.3	-45.7	0	0	0	0	112.5	Q47 K48 C49 S55 R60	Q47-T51 VanDerWaalsContact O-CB 3.3Å; Q47-T51 WeakPolarHBondContact O-CB 3.02Å; Q47-T51 PolarHBondContact O-N 2.84Å; Q47-T51 PolarHBondContact O-OG1 2.97Å; K48-T51 PolarHBondContact O-N 2.91Å; C49-T51 VanDerWaalsContact C-N 3.35Å; C49-T51 PolarHBondContact O-N 3Å; T51-S55 WeakPolarHBondContact O-CB 3.48Å; T51-R60 PolarHBondContact O-NH1 3.06Å
52	A	34.5	Very low	34.8	Very low	16 Å²	16	75 Å²	75	13%	0.132	40%	0.397	C	S	.	.	H	α-helix	trans	-74.7	-38.8	174.8	0	0	0	0	0	112.7	K48 C49 I50 W68	K48-A52 WeakPolarHBondContact O-CB 3.02Å; K48-A52 PolarHBondContact O-N 3.01Å; C49-A52 WeakPolarHBondContact O-CB 3.43Å; C49-A52 PolarHBondContact O-N 2.64Å; C49-A52 VanDerWaalsContact O-N 3.16Å; I50-A52 VanDerWaalsContact C-N 3.27Å; I50-A52 PolarHBondContact O-N 3.19Å; A52-W68 HydrophobicContact CB-CB 4.43Å; A52-W68 HydrophobicContact CB-CD2 4.07Å; A52-W68 HydrophobicContact CB-CE3 3.2Å; A52-W68 HydrophobicContact CB-CZ3 3.56Å
53	F	35.3	Very low	34.8	Very low	5 Å²	5	76.2 Å²	76.2	2%	0.022	41%	0.406	C	S	.	.	H	α-helix	trans	-101	-20.2	-171.6	-60.8	-59.9	0	0	0	113.7	C49 I50 W69 C72 L106 L113 S114 A117 I121	C49-F53 HydrophobicContact CB-CD2 4.42Å; C49-F53 HydrophobicContact CB-CE2 4.28Å; C49-F53 WeakPolarHBondContact O-CD2 3.3Å; C49-F53 PolarHBondContact O-N 2.8Å; C49-F53 VanDerWaalsContact O-N 3.08Å; I50-F53 PolarHBondContact O-N 3.07Å; F53-W69 AromaticContact CZ-CE3 3.99Å; F53-W69 HydrophobicContact CZ-CE3 3.99Å; F53-C72 HydrophobicContact CE2-CB 4.47Å; F53-L106 HydrophobicContact CD2-CD1 4.26Å; F53-L113 HydrophobicContact CB-CD2 3.71Å; F53-S114 PolarHBondContact O-N 2.93Å; F53-S114 PolarHBondContact O-OG 3.31Å; F53-A117 HydrophobicContact CB-CB 3.68Å; F53-A117 HydrophobicContact CD1-CB 3.55Å; F53-A117 HydrophobicContact CG-CB 4.06Å; F53-A117 WeakPolarHBondContact O-CB 3.48Å; F53-I121 HydrophobicContact CD1-CD1 3.99Å; F53-I121 HydrophobicContact CE1-CD1 3.86Å; F53-I121 HydrophobicContact CE1-CG1 4.14Å; F53-I121 HydrophobicContact CG-CD1 4.4Å; F53-I121 HydrophobicContact CZ-CD1 4.19Å
54	G	26.9	Very low	34.5	Very low	44 Å²	44	74.3 Å²	74.3	45%	0.454	40%	0.397	S	S	.	.	S	Bend	trans	-110.8	4.7	-179.3	0	0	0	0	0	116.8	I50	I50-G54 PolarHBondContact O-N 3.19Å
55	S	30.4	Very low	34	Very low	39 Å²	39	68.7 Å²	68.7	27%	0.273	38%	0.377	S	S	.	.			trans	-79.5	121	177.5	143.1	0	0	0	0	111.4	T51 N57	T51-S55 WeakPolarHBondContact O-CB 3.48Å; S55-N57 PolarHBondContact O-N 2.72Å; S55-N57 WeakPolarHBondContact OG-CB 3.49Å; S55-N57 PolarHBondContact OG-N 3.25Å
56	E	28.9	Very low	33.8	Very low	198 Å²	198	74.8 Å²	74.8	93%	0.925	40%	0.4	S	S	*	.			trans	-62.1	-3.4	170.6	-70.1	-171.6	152.7	0	0	114.5	P58	E56-P58 WeakPolarHBondContact O-CD 3.36Å
57	N	29.1	Very low	33.7	Very low	117 Å²	117	75.1 Å²	75.1	63%	0.626	41%	0.407	S	S	*	.			trans	-86.5	114.4	-174.3	-143.2	-25.2	0	0	0	112.5	S55 Q59	S55-N57 PolarHBondContact O-N 2.72Å; S55-N57 WeakPolarHBondContact OG-CB 3.49Å; S55-N57 PolarHBondContact OG-N 3.25Å; N57-Q59 VanDerWaalsContact C-N 3.28Å; N57-Q59 PolarHBondContact O-N 3.24Å; N57-Q59 VanDerWaalsContact O-N 3.16Å
58	P	26.5	Very low	33.5	Very low	121 Å²	121	70.8 Å²	70.8	79%	0.786	39%	0.385	S	S	*	.			trans	-76.8	4.1	-169.5	28.1	-33.3	0	0	0	116	E56 R60	E56-P58 WeakPolarHBondContact O-CD 3.36Å; P58-R60 PolarHBondContact O-N 3.21Å
59	Q	26.7	Very low	33.4	Very low	176 Å²	176	71.2 Å²	71.2	82%	0.822	39%	0.386	S	S	*	.			trans	-93.1	18.9	-166.9	-70.3	-159.1	-7.2	0	0	117.4	N57	N57-Q59 VanDerWaalsContact C-N 3.28Å; N57-Q59 PolarHBondContact O-N 3.24Å; N57-Q59 VanDerWaalsContact O-N 3.16Å
60	R	29.2	Very low	33.5	Very low	102 Å²	102	73.5 Å²	73.5	39%	0.385	40%	0.398	S	S	.	.			trans	-95.9	113.5	-179.9	-71.1	-173.3	175.3	149.4	-2.8	112.6	T51 P58 I65	T51-R60 PolarHBondContact O-NH1 3.06Å; P58-R60 PolarHBondContact O-N 3.21Å; R60-I65 HydrophobicContact CB-CD1 4.08Å; R60-I65 HydrophobicContact CB-CG1 4.26Å
61	S	30.6	Very low	33.6	Very low	67 Å²	67	74 Å²	74	47%	0.469	40%	0.399	S	S	.	.			trans	-51.2	148.9	176.9	79.8	0	0	0	0	111.8	I63 T64	S61-I63 PolarHBondContact O-N 3.09Å; S61-T64 PolarHBondContact O-N 2.89Å; S61-T64 VanDerWaalsContact O-N 3.15Å; S61-T64 PolarHBondContact OG-OG1 3.12Å; S61-T64 VanDerWaalsContact OG-OG1 3.13Å
62	G	28.2	Very low	33.7	Very low	41 Å²	41	70.7 Å²	70.7	42%	0.423	38%	0.379	S	S	.	.	H	α-helix	trans	-50.3	-32.4	-179.3	0	0	0	0	0	114.4	Y66	G62-Y66 PolarHBondContact O-N 3.16Å
63	I	33.4	Very low	34	Very low	92 Å²	92	73.4 Å²	73.4	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-67.8	-46	-177.8	-133.5	93.7	0	0	0	111.8	S61 I65 Y66 D67	S61-I63 PolarHBondContact O-N 3.09Å; I63-I65 VanDerWaalsContact C-N 3.26Å; I63-I65 PolarHBondContact O-N 3.33Å; I63-Y66 WeakPolarHBondContact O-CA 3.33Å; I63-Y66 WeakPolarHBondContact O-CB 3.49Å; I63-Y66 PolarHBondContact O-N 3.11Å; I63-D67 PolarHBondContact O-N 2.88Å
64	T	34.3	Very low	34.1	Very low	40 Å²	40	76.2 Å²	76.2	25%	0.245	41%	0.406	C	S	.	.	H	α-helix	trans	-66.5	-32.9	-173.8	-44.6	0	0	0	0	111.7	S61 W68	S61-T64 PolarHBondContact O-N 2.89Å; S61-T64 VanDerWaalsContact O-N 3.15Å; S61-T64 PolarHBondContact OG-OG1 3.12Å; S61-T64 VanDerWaalsContact OG-OG1 3.13Å; T64-W68 HydrophobicContact CG2-CD2 4.24Å; T64-W68 HydrophobicContact CG2-CZ2 4.31Å; T64-W68 VanDerWaalsContact O-CB 3.32Å; T64-W68 WeakPolarHBondContact O-CB 3.49Å; T64-W68 PolarHBondContact O-N 2.88Å
65	I	34.9	Very low	34.5	Very low	22 Å²	22	75.4 Å²	75.4	11%	0.113	39%	0.391	C	S	.	.	H	α-helix	trans	-76.6	-30.5	175.8	-66.2	164.8	0	0	0	111.1	R60 I63 W69 R120	R60-I65 HydrophobicContact CB-CD1 4.08Å; R60-I65 HydrophobicContact CB-CG1 4.26Å; I63-I65 VanDerWaalsContact C-N 3.26Å; I63-I65 PolarHBondContact O-N 3.33Å; I65-W69 WeakPolarHBondContact O-CB 3.45Å; I65-W69 PolarHBondContact O-N 2.08Å; I65-R120 VanDerWaalsContact CD1-CZ 3.44Å; I65-R120 VanDerWaalsContact CG2-CD 3.47Å; I65-R120 VanDerWaalsContact CG2-NH1 3.27Å
66	Y	37.2	Very low	34.8	Very low	135 Å²	135	74.6 Å²	74.6	53%	0.529	38%	0.384	S	S	.	.	H	α-helix	trans	-69	-43	174.7	-141.4	-83.4	0	0	0	111.1	G62 I63 W69 D70	G62-Y66 PolarHBondContact O-N 3.16Å; I63-Y66 WeakPolarHBondContact O-CA 3.33Å; I63-Y66 WeakPolarHBondContact O-CB 3.49Å; I63-Y66 PolarHBondContact O-N 3.11Å; Y66-W69 WeakPolarHBondContact O-CB 3.31Å; Y66-W69 PolarHBondContact O-N 2.91Å; Y66-D70 PolarHBondContact O-N 3.44Å
67	D	39.9	Very low	34.9	Very low	79 Å²	79	72.5 Å²	72.5	42%	0.422	37%	0.368	S	S	.	.	H	α-helix	trans	-66.5	-41.1	176.8	-62.8	-26.3	0	0	0	111.2	I63 D70 E71	I63-D67 PolarHBondContact O-N 2.88Å; D67-D70 PolarHBondContact O-N 2.98Å; D67-E71 PolarHBondContact O-N 3.12Å
68	W	39.4	Very low	34.8	Very low	36 Å²	36	70.3 Å²	70.3	14%	0.136	37%	0.373	C	S	.	.	H	α-helix	trans	-68.2	-36.6	173.8	-72.3	-8.9	0	0	0	113	A52 T64 D70 E71 C72	A52-W68 HydrophobicContact CB-CB 4.43Å; A52-W68 HydrophobicContact CB-CD2 4.07Å; A52-W68 HydrophobicContact CB-CE3 3.2Å; A52-W68 HydrophobicContact CB-CZ3 3.56Å; T64-W68 HydrophobicContact CG2-CD2 4.24Å; T64-W68 HydrophobicContact CG2-CZ2 4.31Å; T64-W68 VanDerWaalsContact O-CB 3.32Å; T64-W68 WeakPolarHBondContact O-CB 3.49Å; T64-W68 PolarHBondContact O-N 2.88Å; W68-D70 VanDerWaalsContact C-N 3.31Å; W68-D70 PolarHBondContact O-N 3.34Å; W68-E71 PolarHBondContact O-N 3.25Å; W68-C72 WeakPolarHBondContact O-CB 3.15Å; W68-C72 PolarHBondContact O-N 3.14Å; W68-C72 PolarHBondContact O-SG 3.42Å
69	W	40.5	Very low	34.7	Very low	40 Å²	40	69 Å²	69	15%	0.152	36%	0.359	C	S	.	.	H	α-helix	trans	-61	-40.5	171.3	172.8	-105.2	0	0	0	111.5	F53 I65 Y66 C72 R73 I121 A124	F53-W69 AromaticContact CZ-CE3 3.99Å; F53-W69 HydrophobicContact CZ-CE3 3.99Å; I65-W69 WeakPolarHBondContact O-CB 3.45Å; I65-W69 PolarHBondContact O-N 2.08Å; Y66-W69 WeakPolarHBondContact O-CB 3.31Å; Y66-W69 PolarHBondContact O-N 2.91Å; W69-C72 PolarHBondContact O-N 3.33Å; W69-R73 WeakPolarHBondContact O-CB 3.48Å; W69-R73 PolarHBondContact O-N 2.87Å; W69-I121 HydrophobicContact CE3-CD1 4.43Å; W69-I121 HydrophobicContact CE3-CG1 3.79Å; W69-I121 HydrophobicContact CH2-CB 4.1Å; W69-I121 HydrophobicContact CH2-CG1 4.08Å; W69-I121 HydrophobicContact CH2-CG2 3.55Å; W69-I121 HydrophobicContact CZ3-CB 3.94Å; W69-I121 HydrophobicContact CZ3-CD1 3.95Å; W69-I121 HydrophobicContact CZ3-CG1 3.4Å; W69-I121 VanDerWaalsContact CZ3-CG1 3.4Å; W69-I121 HydrophobicContact CZ3-CG2 3.71Å; W69-A124 HydrophobicContact CD2-CB 4.46Å; W69-A124 HydrophobicContact CZ2-CB 3.67Å; W69-A124 VanDerWaalsContact NE1-CB 3.33Å
70	D	43	Very low	34.8	Very low	52 Å²	52	64.1 Å²	64.1	28%	0.278	34%	0.338	S	S	.	.	H	α-helix	trans	-71.5	-33.8	176.6	-106	28.6	0	0	0	113.4	Y66 D67 W68 R73 S74	Y66-D70 PolarHBondContact O-N 3.44Å; D67-D70 PolarHBondContact O-N 2.98Å; W68-D70 VanDerWaalsContact C-N 3.31Å; W68-D70 PolarHBondContact O-N 3.34Å; D70-R73 VanDerWaalsContact CG-NH1 3.31Å; D70-R73 VanDerWaalsContact CG-NH2 3.33Å; D70-R73 IonicContact OD1-CZ 2.72Å; D70-R73 IonicContact OD1-NE 2.96Å; D70-R73 PolarHBondContact OD1-NE 3.38Å; D70-R73 IonicContact OD1-NH1 3.22Å; D70-R73 PolarHBondContact OD1-NH1 3.28Å; D70-R73 IonicContact OD1-NH2 3.5Å; D70-R73 PolarHBondContact OD1-NH2 3.03Å; D70-R73 IonicContact OD2-CZ 3.05Å; D70-R73 VanDerWaalsContact OD2-CZ 3.22Å; D70-R73 IonicContact OD2-NH1 3.53Å; D70-R73 PolarHBondContact OD2-NH1 2.04Å; D70-R73 IonicContact OD2-NH2 2.73Å; D70-R73 PolarHBondContact OD2-NH2 3.06Å; D70-S74 PolarHBondContact O-N 3.17Å; D70-S74 VanDerWaalsContact O-N 3.12Å; D70-S74 PolarHBondContact O-OG 3.5Å
71	E	40	Very low	34.6	Very low	58 Å²	58	63.7 Å²	63.7	27%	0.271	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-50.2	169.4	-79.2	-174.5	159.4	0	0	110.8	T45 K48 D67 W68 R73 S74 L75 F331	T45-E71 HydrophobicContact CG2-CB 4.45Å; K48-E71 IonicContact NZ-OE1 2.7Å; K48-E71 PolarHBondContact NZ-OE1 3.39Å; K48-E71 IonicContact NZ-OE2 3.27Å; K48-E71 PolarHBondContact NZ-OE2 2.98Å; D67-E71 PolarHBondContact O-N 3.12Å; W68-E71 PolarHBondContact O-N 3.25Å; E71-R73 PolarHBondContact O-N 3.45Å; E71-S74 PolarHBondContact O-N 3.36Å; E71-L75 PolarHBondContact O-N 2.86Å; E71-F331 WeakPolarHBondContact OE1-CE1 3.44Å
72	C	38.6	Very low	34.3	Very low	5 Å²	5	67.2 Å²	67.2	3%	0.034	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-40.9	176.9	-56.6	0	0	0	0	111	C49 F53 W68 W69 S74 L75 L76	C49-C72 HydrophobicContact CB-CB 4.26Å; C49-C72 WeakPolarHBondContact CB-SG 3.47Å; C49-C72 WeakPolarHBondContact SG-CB 2.96Å; C49-C72 CovalentContact SG-SG 2.02Å; C49-C72 PolarHBondContact SG-SG 3.14Å; F53-C72 HydrophobicContact CE2-CB 4.47Å; W68-C72 WeakPolarHBondContact O-CB 3.15Å; W68-C72 PolarHBondContact O-N 3.14Å; W68-C72 PolarHBondContact O-SG 3.42Å; W69-C72 PolarHBondContact O-N 3.33Å; C72-S74 PolarHBondContact O-N 3.08Å; C72-L75 WeakPolarHBondContact O-CB 3.13Å; C72-L75 PolarHBondContact O-N 3.14Å; C72-L75 VanDerWaalsContact O-N 3.09Å; C72-L76 WeakPolarHBondContact O-CB 3.4Å; C72-L76 WeakPolarHBondContact O-CG 3.41Å; C72-L76 PolarHBondContact O-N 2.81Å
73	R	40.7	Very low	34.1	Very low	73 Å²	73	69 Å²	69	28%	0.275	37%	0.365	S	S	.	.	H	α-helix	trans	-56.4	-35.1	175	-174.2	-167.9	77.1	-170.3	-3	112.1	W69 D70 E71 R77	W69-R73 WeakPolarHBondContact O-CB 3.48Å; W69-R73 PolarHBondContact O-N 2.87Å; D70-R73 VanDerWaalsContact CG-NH1 3.31Å; D70-R73 VanDerWaalsContact CG-NH2 3.33Å; D70-R73 IonicContact OD1-CZ 2.72Å; D70-R73 IonicContact OD1-NE 2.96Å; D70-R73 PolarHBondContact OD1-NE 3.38Å; D70-R73 IonicContact OD1-NH1 3.22Å; D70-R73 PolarHBondContact OD1-NH1 3.28Å; D70-R73 IonicContact OD1-NH2 3.5Å; D70-R73 PolarHBondContact OD1-NH2 3.03Å; D70-R73 IonicContact OD2-CZ 3.05Å; D70-R73 VanDerWaalsContact OD2-CZ 3.22Å; D70-R73 IonicContact OD2-NH1 3.53Å; D70-R73 PolarHBondContact OD2-NH1 2.04Å; D70-R73 IonicContact OD2-NH2 2.73Å; D70-R73 PolarHBondContact OD2-NH2 3.06Å; E71-R73 PolarHBondContact O-N 3.45Å; R73-R77 WeakPolarHBondContact O-CG 3.47Å; R73-R77 PolarHBondContact O-N 2.58Å
74	S	38.8	Very low	33.5	Very low	63 Å²	63	67.6 Å²	67.6	44%	0.441	36%	0.363	S	S	.	.	H	α-helix	trans	-73.1	-33.7	178.4	-61	0	0	0	0	112.5	D70 E71 C72	D70-S74 PolarHBondContact O-N 3.17Å; D70-S74 VanDerWaalsContact O-N 3.12Å; D70-S74 PolarHBondContact O-OG 3.5Å; E71-S74 PolarHBondContact O-N 3.36Å; C72-S74 PolarHBondContact O-N 3.08Å
75	L	35.4	Very low	32.9	Very low	27 Å²	27	73.4 Å²	73.4	14%	0.141	39%	0.392	C	S	.	.	H	α-helix	trans	-71.7	-37.2	170.1	-85.2	146.6	0	0	0	113.2	W41 F42 T45 E71 C72 R77	W41-L75 HydrophobicContact CE3-CD2 4.25Å; W41-L75 HydrophobicContact CH2-CD1 4.3Å; W41-L75 HydrophobicContact CH2-CD2 4Å; W41-L75 HydrophobicContact CH2-CG 3.85Å; W41-L75 HydrophobicContact CZ3-CD2 3.53Å; W41-L75 HydrophobicContact CZ3-CG 3.93Å; F42-L75 HydrophobicContact CD2-CD2 3.35Å; F42-L75 HydrophobicContact CE2-CD2 3.77Å; F42-L75 HydrophobicContact CG-CD2 4.31Å; T45-L75 HydrophobicContact CG2-CD1 3.07Å; T45-L75 HydrophobicContact CG2-CG 4.49Å; E71-L75 PolarHBondContact O-N 2.86Å; C72-L75 WeakPolarHBondContact O-CB 3.13Å; C72-L75 PolarHBondContact O-N 3.14Å; C72-L75 VanDerWaalsContact O-N 3.09Å; L75-R77 PolarHBondContact O-N 3.04Å
76	L	35.1	Very low	32.4	Very low	23 Å²	23	80.6 Å²	80.6	12%	0.12	43%	0.425	C	S	.	.	H	α-helix	trans	-71.9	-13.9	179.2	-64.6	169.9	0	0	0	112.4	C72 G78 N79 L80 V101 I105	C72-L76 WeakPolarHBondContact O-CB 3.4Å; C72-L76 WeakPolarHBondContact O-CG 3.41Å; C72-L76 PolarHBondContact O-N 2.81Å; L76-G78 PolarHBondContact O-N 3.1Å; L76-N79 CarbonylContact O-C 3.56Å; L76-N79 PolarHBondContact O-N 3.45Å; L76-L80 HydrophobicContact CB-CD1 3.31Å; L76-L80 HydrophobicContact CB-CG 3.85Å; L76-L80 HydrophobicContact CD1-CD1 4.3Å; L76-L80 HydrophobicContact CG-CD1 4.39Å; L76-L80 WeakPolarHBondContact O-CB 3.41Å; L76-L80 PolarHBondContact O-N 3.29Å; L76-V101 HydrophobicContact CD2-CG1 4.04Å; L76-I105 HydrophobicContact CD2-CB 4.05Å; L76-I105 HydrophobicContact CD2-CD1 3.24Å; L76-I105 HydrophobicContact CD2-CG1 4.18Å; L76-I105 HydrophobicContact CD2-CG2 3.71Å
77	R	31	Very low	31.7	Very low	154 Å²	154	78.9 Å²	78.9	58%	0.581	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.1	-176	-98.6	-179.9	177.3	-174.5	-1.2	115.5	R73 L75	R73-R77 WeakPolarHBondContact O-CG 3.47Å; R73-R77 PolarHBondContact O-N 2.58Å; L75-R77 PolarHBondContact O-N 3.04Å
78	G	26.6	Very low	31	Very low	71 Å²	71	78.8 Å²	78.8	73%	0.732	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-18.4	169	0	0	0	0	0	114.4	L76	L76-G78 PolarHBondContact O-N 3.1Å
79	N	26	Very low	30.3	Very low	93 Å²	93	88.1 Å²	88.1	50%	0.497	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-0.3	-170.7	-75.1	-31	0	0	0	114.5	L76 V81 I105	L76-N79 CarbonylContact O-C 3.56Å; L76-N79 PolarHBondContact O-N 3.45Å; N79-V81 VanDerWaalsContact C-N 3.33Å; N79-V81 PolarHBondContact O-N 3.07Å; N79-I105 HydrophobicContact CB-CD1 3.96Å
80	L	27.6	Very low	29.5	Very low	73 Å²	73	86.7 Å²	86.7	38%	0.382	47%	0.468	S	S	.	.			trans	-77.5	86.4	174.9	-94.3	160	0	0	0	109.4	L76 T82	L76-L80 HydrophobicContact CB-CD1 3.31Å; L76-L80 HydrophobicContact CB-CG 3.85Å; L76-L80 HydrophobicContact CD1-CD1 4.3Å; L76-L80 HydrophobicContact CG-CD1 4.39Å; L76-L80 WeakPolarHBondContact O-CB 3.41Å; L76-L80 PolarHBondContact O-N 3.29Å; L80-T82 PolarHBondContact O-N 3.06Å
81	V	25.5	Very low	28.8	Very low	94 Å²	94	86.8 Å²	86.8	57%	0.57	48%	0.476	S	S	*	.			trans	-46.2	121.2	172.8	-175.8	0	0	0	0	110.1	N79 L83	N79-V81 VanDerWaalsContact C-N 3.33Å; N79-V81 PolarHBondContact O-N 3.07Å; V81-L83 VanDerWaalsContact C-N 3.31Å; V81-L83 HydrophobicContact CB-CD1 4.32Å; V81-L83 HydrophobicContact CB-CG 4.4Å; V81-L83 HydrophobicContact CG1-CD1 4.24Å; V81-L83 HydrophobicContact CG1-CD2 4.32Å; V81-L83 HydrophobicContact CG1-CG 3.86Å; V81-L83 PolarHBondContact O-N 2.79Å
82	T	23.7	Very low	28.2	Very low	140 Å²	140	93.3 Å²	93.3	86%	0.859	50%	0.499	S	S	*	.			trans	-67.2	88	168	-26.3	0	0	0	0	108	L80 S84	L80-T82 PolarHBondContact O-N 3.06Å; T82-S84 PolarHBondContact O-N 3.33Å
83	L	23.5	Very low	27.7	Very low	79 Å²	79	98 Å²	98	41%	0.414	53%	0.525	S	S	.	.			trans	-79.3	105.8	176.9	-78.9	146.7	0	0	0	108.7	V81 L94	V81-L83 VanDerWaalsContact C-N 3.31Å; V81-L83 HydrophobicContact CB-CD1 4.32Å; V81-L83 HydrophobicContact CB-CG 4.4Å; V81-L83 HydrophobicContact CG1-CD1 4.24Å; V81-L83 HydrophobicContact CG1-CD2 4.32Å; V81-L83 HydrophobicContact CG1-CG 3.86Å; V81-L83 PolarHBondContact O-N 2.79Å; L83-L94 HydrophobicContact CB-CD1 4.33Å; L83-L94 HydrophobicContact CD1-CD1 3.13Å; L83-L94 HydrophobicContact CD1-CG 4.43Å; L83-L94 HydrophobicContact CG-CD1 4.19Å
84	S	21.7	Very low	27.3	Very low	62 Å²	62	98.4 Å²	98.4	43%	0.434	53%	0.531	S	S	.	.			trans	-64.1	147.9	169.4	80.5	0	0	0	0	109.6	T82 E86 D87	T82-S84 PolarHBondContact O-N 3.33Å; S84-E86 PolarHBondContact O-N 3.07Å; S84-D87 PolarHBondContact O-N 2.62Å
85	L	22.4	Very low	27	Very low	162 Å²	162	96.5 Å²	96.5	85%	0.848	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-63.2	-7.5	179.2	-92.6	140.6	0	0	0	114
86	E	23.4	Very low	27	Very low	174 Å²	174	99.3 Å²	99.3	81%	0.813	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-76.6	-22.5	177.3	-96.8	178.3	139.1	0	0	113.6	S84 A88	S84-E86 PolarHBondContact O-N 3.07Å; E86-A88 VanDerWaalsContact C-N 3.31Å; E86-A88 PolarHBondContact O-N 2.91Å
87	D	23.4	Very low	27	Very low	99 Å²	99	99.6 Å²	99.6	53%	0.529	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-92.2	26.3	179.5	-70.9	-42.9	0	0	0	113.2	S84 R89 G90	S84-D87 PolarHBondContact O-N 2.62Å; D87-R89 PolarHBondContact O-N 2Å; D87-G90 CarbonylContact O-C 3.57Å; D87-G90 WeakPolarHBondContact O-CA 3.32Å; D87-G90 PolarHBondContact O-N 3.13Å
88	A	24.4	Very low	27.4	Very low	76 Å²	76	94 Å²	94	63%	0.628	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-64.7	-8.5	177.7	0	0	0	0	0	114.2	E86 G90 A91	E86-A88 VanDerWaalsContact C-N 3.31Å; E86-A88 PolarHBondContact O-N 2.91Å; A88-G90 VanDerWaalsContact C-N 3.3Å; A88-A91 PolarHBondContact O-N 3.43Å
89	R	24.5	Very low	28.2	Very low	233 Å²	233	93.2 Å²	93.2	88%	0.879	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-70.1	-30	162.2	-118.5	178.1	-176	167.3	1.5	112	D87 A91	D87-R89 PolarHBondContact O-N 2Å; R89-A91 PolarHBondContact O-N 2.83Å
90	G	25.1	Very low	28.8	Very low	10 Å²	10	92.3 Å²	92.3	10%	0.103	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-80.5	33.2	166.6	0	0	0	0	0	113.3	D87 A88 Y92 D93 L94	D87-G90 CarbonylContact O-C 3.57Å; D87-G90 WeakPolarHBondContact O-CA 3.32Å; D87-G90 PolarHBondContact O-N 3.13Å; A88-G90 VanDerWaalsContact C-N 3.3Å; G90-Y92 PolarHBondContact O-N 2.94Å; G90-D93 WeakPolarHBondContact CA-OD2 3.32Å; G90-D93 CarbonylContact O-C 3.47Å; G90-D93 WeakPolarHBondContact O-CA 3.42Å; G90-D93 PolarHBondContact O-N 3.4Å; G90-D93 VanDerWaalsContact O-N 3.08Å; G90-L94 WeakPolarHBondContact O-CA 3.28Å; G90-L94 WeakPolarHBondContact O-CB 3.32Å; G90-L94 PolarHBondContact O-N 3.14Å
91	A	27.8	Very low	29.4	Very low	54 Å²	54	90.2 Å²	90.2	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-32.4	164.3	0	0	0	0	0	111.2	A88 R89 G95	A88-A91 PolarHBondContact O-N 3.43Å; R89-A91 PolarHBondContact O-N 2.83Å; A91-G95 PolarHBondContact O-N 2.85Å
92	Y	26.6	Very low	30.2	Very low	194 Å²	194	87 Å²	87	76%	0.761	47%	0.474	S	S	*	.	H	α-helix	trans	-65.6	-40.3	165.3	-115.4	-85.2	0	0	0	111.1	G90 G95 N96	G90-Y92 PolarHBondContact O-N 2.94Å; Y92-G95 PolarHBondContact O-N 3Å; Y92-N96 VanDerWaalsContact O-CB 3.26Å; Y92-N96 WeakPolarHBondContact O-CB 3.45Å; Y92-N96 PolarHBondContact O-N 2.96Å; Y92-N96 PolarHBondContact O-ND2 2.83Å
93	D	28.6	Very low	31	Very low	105 Å²	105	83.9 Å²	83.9	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-75.2	-20.9	178.4	-59.4	-41.1	0	0	0	113.6	G90 A97	G90-D93 WeakPolarHBondContact CA-OD2 3.32Å; G90-D93 CarbonylContact O-C 3.47Å; G90-D93 WeakPolarHBondContact O-CA 3.42Å; G90-D93 PolarHBondContact O-N 3.4Å; G90-D93 VanDerWaalsContact O-N 3.08Å; D93-A97 WeakPolarHBondContact O-CA 3.05Å; D93-A97 WeakPolarHBondContact O-CB 3.37Å; D93-A97 PolarHBondContact O-N 2.67Å
94	L	31.8	Very low	31.6	Very low	80 Å²	80	83.7 Å²	83.7	42%	0.419	46%	0.458	S	S	.	.	H	α-helix	trans	-81.5	-42.2	173.5	176.8	71.8	0	0	0	109.3	L83 G90 N96 A97 V98	L83-L94 HydrophobicContact CB-CD1 4.33Å; L83-L94 HydrophobicContact CD1-CD1 3.13Å; L83-L94 HydrophobicContact CD1-CG 4.43Å; L83-L94 HydrophobicContact CG-CD1 4.19Å; G90-L94 WeakPolarHBondContact O-CA 3.28Å; G90-L94 WeakPolarHBondContact O-CB 3.32Å; G90-L94 PolarHBondContact O-N 3.14Å; L94-N96 VanDerWaalsContact C-N 3.32Å; L94-A97 PolarHBondContact O-N 2.72Å; L94-V98 HydrophobicContact CD1-CG2 4.31Å; L94-V98 WeakPolarHBondContact O-CB 3.29Å; L94-V98 WeakPolarHBondContact O-CG2 3.24Å; L94-V98 PolarHBondContact O-N 3.31Å
95	G	32.3	Very low	32.3	Very low	23 Å²	23	81.4 Å²	81.4	24%	0.237	44%	0.44	C	S	.	.	H	α-helix	trans	-58	-46.9	167.2	0	0	0	0	0	111	A91 Y92 D99	A91-G95 PolarHBondContact O-N 2.85Å; Y92-G95 PolarHBondContact O-N 3Å; G95-D99 WeakPolarHBondContact O-CB 2.99Å; G95-D99 VanDerWaalsContact O-CG 3.27Å; G95-D99 PolarHBondContact O-N 2.91Å
96	N	36.2	Very low	33	Very low	86 Å²	86	74.2 Å²	74.2	46%	0.46	40%	0.403	S	S	.	.	H	α-helix	trans	-69.7	-34.8	175.8	-72.5	-25.3	0	0	0	113.1	Y92 L94 S100	Y92-N96 VanDerWaalsContact O-CB 3.26Å; Y92-N96 WeakPolarHBondContact O-CB 3.45Å; Y92-N96 PolarHBondContact O-N 2.96Å; Y92-N96 PolarHBondContact O-ND2 2.83Å; L94-N96 VanDerWaalsContact C-N 3.32Å; N96-S100 WeakPolarHBondContact O-CA 3.35Å; N96-S100 WeakPolarHBondContact O-CB 3.28Å; N96-S100 PolarHBondContact O-N 3.46Å
97	A	35.8	Very low	34.1	Very low	29 Å²	29	69.1 Å²	69.1	24%	0.24	39%	0.386	C	S	.	.	H	α-helix	trans	-73.9	-39.3	177.2	0	0	0	0	0	110.5	D93 L94 S100 V101	D93-A97 WeakPolarHBondContact O-CA 3.05Å; D93-A97 WeakPolarHBondContact O-CB 3.37Å; D93-A97 PolarHBondContact O-N 2.67Å; L94-A97 PolarHBondContact O-N 2.72Å; A97-S100 PolarHBondContact O-N 3.05Å; A97-V101 WeakPolarHBondContact O-CB 3.28Å; A97-V101 WeakPolarHBondContact O-CG2 3.49Å; A97-V101 PolarHBondContact O-N 2.95Å
98	V	39	Very low	34.9	Very low	37 Å²	37	66 Å²	66	22%	0.224	37%	0.371	C	S	.	.	H	α-helix	trans	-63	-50.8	170.7	170.2	0	0	0	0	109.1	L94 S100 V101 F102	L94-V98 HydrophobicContact CD1-CG2 4.31Å; L94-V98 WeakPolarHBondContact O-CB 3.29Å; L94-V98 WeakPolarHBondContact O-CG2 3.24Å; L94-V98 PolarHBondContact O-N 3.31Å; V98-S100 VanDerWaalsContact C-N 3.3Å; V98-S100 PolarHBondContact O-N 3.47Å; V98-V101 PolarHBondContact O-N 3.49Å; V98-F102 HydrophobicContact CG1-CD2 3.5Å; V98-F102 VanDerWaalsContact CG1-CD2 3.5Å; V98-F102 HydrophobicContact CG1-CE2 3.51Å; V98-F102 WeakPolarHBondContact O-CB 3.5Å; V98-F102 WeakPolarHBondContact O-CD2 3.5Å; V98-F102 PolarHBondContact O-N 3.3Å
99	D	43.4	Very low	35.7	Very low	55 Å²	55	64.4 Å²	64.4	29%	0.294	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-35.7	176	-79.5	2.1	0	0	0	112.7	G95 N103 R110	G95-D99 WeakPolarHBondContact O-CB 2.99Å; G95-D99 VanDerWaalsContact O-CG 3.27Å; G95-D99 PolarHBondContact O-N 2.91Å; D99-N103 WeakPolarHBondContact O-CB 3.45Å; D99-N103 PolarHBondContact O-N 3.13Å; D99-N103 PolarHBondContact O-ND2 2.66Å; D99-R110 WeakPolarHBondContact OD1-CB 3.09Å; D99-R110 WeakPolarHBondContact OD1-CD 3.43Å
100	S	38.4	Very low	36.4	Very low	74 Å²	74	57.1 Å²	57.1	52%	0.517	33%	0.326	S	S	.	.	H	α-helix	trans	-72.5	-38.2	176.6	-179	0	0	0	0	111.3	N96 A97 V98 N103 S104	N96-S100 WeakPolarHBondContact O-CA 3.35Å; N96-S100 WeakPolarHBondContact O-CB 3.28Å; N96-S100 PolarHBondContact O-N 3.46Å; A97-S100 PolarHBondContact O-N 3.05Å; V98-S100 VanDerWaalsContact C-N 3.3Å; V98-S100 PolarHBondContact O-N 3.47Å; S100-N103 PolarHBondContact O-N 2.88Å; S100-S104 WeakPolarHBondContact O-CA 3.41Å; S100-S104 WeakPolarHBondContact O-CB 3.15Å; S100-S104 PolarHBondContact O-N 3.45Å
101	V	39.8	Very low	37.1	Very low	29 Å²	29	64.8 Å²	64.8	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-69.1	-41.4	173.4	166.8	0	0	0	0	110	L76 A97 V98 S104 I105	L76-V101 HydrophobicContact CD2-CG1 4.04Å; A97-V101 WeakPolarHBondContact O-CB 3.28Å; A97-V101 WeakPolarHBondContact O-CG2 3.49Å; A97-V101 PolarHBondContact O-N 2.95Å; V98-V101 PolarHBondContact O-N 3.49Å; V101-S104 PolarHBondContact O-N 3.41Å; V101-I105 HydrophobicContact CG1-CD1 3.72Å; V101-I105 WeakPolarHBondContact O-CB 3.01Å; V101-I105 VanDerWaalsContact O-CG1 3.32Å; V101-I105 WeakPolarHBondContact O-CG1 3.45Å; V101-I105 PolarHBondContact O-N 2.86Å
102	F	42.4	Very low	37.6	Very low	27 Å²	27	66.7 Å²	66.7	12%	0.118	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-46	172.3	-88.2	-75.2	0	0	0	111.7	V98 L106 S107 L113 I121	V98-F102 HydrophobicContact CG1-CD2 3.5Å; V98-F102 VanDerWaalsContact CG1-CD2 3.5Å; V98-F102 HydrophobicContact CG1-CE2 3.51Å; V98-F102 WeakPolarHBondContact O-CB 3.5Å; V98-F102 WeakPolarHBondContact O-CD2 3.5Å; V98-F102 PolarHBondContact O-N 3.3Å; F102-L106 HydrophobicContact CD1-CD1 3.55Å; F102-L106 HydrophobicContact CD1-CG 4.49Å; F102-L106 HydrophobicContact CE1-CD1 3.71Å; F102-L106 CarbonylContact O-C 3.49Å; F102-L106 VanDerWaalsContact O-CA 3.31Å; F102-L106 WeakPolarHBondContact O-CA 3.35Å; F102-L106 VanDerWaalsContact O-CB 3.31Å; F102-L106 WeakPolarHBondContact O-CB 3.47Å; F102-L106 PolarHBondContact O-N 3.34Å; F102-S107 PolarHBondContact O-N 2.84Å; F102-S107 VanDerWaalsContact O-N 3.15Å; F102-L113 HydrophobicContact CD1-CD1 3.7Å; F102-L113 HydrophobicContact CE1-CD1 3.49Å; F102-L113 VanDerWaalsContact CE1-CD1 3.49Å; F102-L113 HydrophobicContact CZ-CD1 4.13Å; F102-I121 HydrophobicContact CE1-CD1 3.87Å; F102-I121 HydrophobicContact CZ-CD1 3.52Å; F102-I121 HydrophobicContact CZ-CG2 4.09Å
103	N	40.9	Very low	38.1	Very low	73 Å²	73	58.3 Å²	58.3	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-67.7	-36.9	175.3	-85.4	-30.4	0	0	0	112.9	D99 S100 S107 P109	D99-N103 WeakPolarHBondContact O-CB 3.45Å; D99-N103 PolarHBondContact O-N 3.13Å; D99-N103 PolarHBondContact O-ND2 2.66Å; S100-N103 PolarHBondContact O-N 2.88Å; N103-S107 WeakPolarHBondContact O-CA 3.26Å; N103-S107 PolarHBondContact O-N 3.32Å; N103-S107 VanDerWaalsContact O-N 3.11Å; N103-S107 PolarHBondContact O-OG 3.05Å; N103-P109 VanDerWaalsContact OD1-CA 3.32Å; N103-P109 WeakPolarHBondContact OD1-CA 3.46Å
104	S	36.3	Very low	38.2	Very low	76 Å²	76	55.5 Å²	55.5	53%	0.531	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-42.7	179	167.1	0	0	0	0	111.2	S100 V101	S100-S104 WeakPolarHBondContact O-CA 3.41Å; S100-S104 WeakPolarHBondContact O-CB 3.15Å; S100-S104 PolarHBondContact O-N 3.45Å; V101-S104 PolarHBondContact O-N 3.41Å
105	I	35	Very low	38.1	Very low	13 Å²	13	59.1 Å²	59.1	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-101.5	-38	-166.7	-60.8	173.8	0	0	0	111.5	R46 L76 N79 V101	R46-I105 WeakPolarHBondContact CD-O 3.35Å; R46-I105 VanDerWaalsContact CG-O 3.26Å; R46-I105 WeakPolarHBondContact CG-O 3.45Å; R46-I105 PolarHBondContact NE-O 3.28Å; L76-I105 HydrophobicContact CD2-CB 4.05Å; L76-I105 HydrophobicContact CD2-CD1 3.24Å; L76-I105 HydrophobicContact CD2-CG1 4.18Å; L76-I105 HydrophobicContact CD2-CG2 3.71Å; N79-I105 HydrophobicContact CB-CD1 3.96Å; V101-I105 HydrophobicContact CG1-CD1 3.72Å; V101-I105 WeakPolarHBondContact O-CB 3.01Å; V101-I105 VanDerWaalsContact O-CG1 3.32Å; V101-I105 WeakPolarHBondContact O-CG1 3.45Å; V101-I105 PolarHBondContact O-N 2.86Å
106	L	38.7	Very low	38.2	Very low	11 Å²	11	62.1 Å²	62.1	6%	0.058	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-14	178.8	-59.6	176.4	0	0	0	112.3	C49 I50 F53 F102 V108	C49-L106 HydrophobicContact CB-CD2 3.3Å; I50-L106 WeakPolarHBondContact CD1-O 3.37Å; I50-L106 HydrophobicContact CG1-CB 3.97Å; I50-L106 HydrophobicContact CG1-CD2 3.91Å; I50-L106 WeakPolarHBondContact CG1-O 3.47Å; F53-L106 HydrophobicContact CD2-CD1 4.26Å; F102-L106 HydrophobicContact CD1-CD1 3.55Å; F102-L106 HydrophobicContact CD1-CG 4.49Å; F102-L106 HydrophobicContact CE1-CD1 3.71Å; F102-L106 CarbonylContact O-C 3.49Å; F102-L106 VanDerWaalsContact O-CA 3.31Å; F102-L106 WeakPolarHBondContact O-CA 3.35Å; F102-L106 VanDerWaalsContact O-CB 3.31Å; F102-L106 WeakPolarHBondContact O-CB 3.47Å; F102-L106 PolarHBondContact O-N 3.34Å; L106-V108 WeakPolarHBondContact O-CG2 3.01Å; L106-V108 PolarHBondContact O-N 3.07Å; L106-V108 VanDerWaalsContact O-N 3.1Å
107	S	46.2	Very low	38.1	Very low	67 Å²	67	58.2 Å²	58.2	47%	0.469	32%	0.319	S	S	.	.	S	Bend	trans	51.8	28.8	-175.4	-55.6	0	0	0	0	113.9	R46 F102 N103	R46-S107 VanDerWaalsContact NH2-CB 3.28Å; R46-S107 PolarHBondContact NH2-OG 2.98Å; F102-S107 PolarHBondContact O-N 2.84Å; F102-S107 VanDerWaalsContact O-N 3.15Å; N103-S107 WeakPolarHBondContact O-CA 3.26Å; N103-S107 PolarHBondContact O-N 3.32Å; N103-S107 VanDerWaalsContact O-N 3.11Å; N103-S107 PolarHBondContact O-OG 3.05Å
108	V	39.5	Very low	38	Very low	35 Å²	35	58 Å²	58	21%	0.212	32%	0.317	C	S	.	.	S	Bend	trans	-129.4	128.9	173.8	-172.5	0	0	0	0	107.4	I50 L106 D112	I50-V108 HydrophobicContact CG1-CG2 4.43Å; I50-V108 HydrophobicContact CG2-CG2 4.08Å; L106-V108 WeakPolarHBondContact O-CG2 3.01Å; L106-V108 PolarHBondContact O-N 3.07Å; L106-V108 VanDerWaalsContact O-N 3.1Å; V108-D112 HydrophobicContact CG1-CB 3.8Å
109	P	40.7	Very low	37.9	Very low	41 Å²	41	58.8 Å²	58.8	27%	0.266	32%	0.316	S	S	.	.			trans	-63.4	141.4	175.1	-16.8	29.1	0	0	0	110.5	N103 K111 D112	N103-P109 VanDerWaalsContact OD1-CA 3.32Å; N103-P109 WeakPolarHBondContact OD1-CA 3.46Å; P109-K111 HydrophobicContact CB-CD 4.45Å; P109-K111 HydrophobicContact CB-CG 3.81Å; P109-K111 PolarHBondContact O-N 3.47Å; P109-D112 VanDerWaalsContact CD-OD2 3.25Å; P109-D112 WeakPolarHBondContact CD-OD2 3.41Å; P109-D112 VanDerWaalsContact CG-OD2 3.27Å; P109-D112 WeakPolarHBondContact CG-OD2 3.45Å; P109-D112 WeakPolarHBondContact O-CB 3.33Å; P109-D112 PolarHBondContact O-N 3.1Å
110	R	40.1	Very low	37.6	Very low	81 Å²	81	59.5 Å²	59.5	31%	0.306	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-51.3	-35	-179.9	-179.2	-175.2	176.2	179.1	3.2	113.9	D99 D112 L113 D122	D99-R110 WeakPolarHBondContact OD1-CB 3.09Å; D99-R110 WeakPolarHBondContact OD1-CD 3.43Å; R110-D112 PolarHBondContact O-N 3.01Å; R110-L113 WeakPolarHBondContact O-CB 3.46Å; R110-L113 PolarHBondContact O-N 3.44Å; R110-L113 VanDerWaalsContact O-N 3.16Å; R110-D122 IonicContact NH2-OD1 3.58Å; R110-D122 IonicContact NH2-OD2 3.45Å
111	K	39.7	Very low	37.6	Very low	171 Å²	171	56.3 Å²	56.3	74%	0.743	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-61.8	-20	176.7	58.5	169.7	-169.4	-177	0	114.2	P109	P109-K111 HydrophobicContact CB-CD 4.45Å; P109-K111 HydrophobicContact CB-CG 3.81Å; P109-K111 PolarHBondContact O-N 3.47Å
112	D	38.2	Very low	37.6	Very low	93 Å²	93	58 Å²	58	50%	0.497	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-99.8	5.4	-178.9	-54.9	-33.1	0	0	0	111.6	V108 P109 R110	V108-D112 HydrophobicContact CG1-CB 3.8Å; P109-D112 VanDerWaalsContact CD-OD2 3.25Å; P109-D112 WeakPolarHBondContact CD-OD2 3.41Å; P109-D112 VanDerWaalsContact CG-OD2 3.27Å; P109-D112 WeakPolarHBondContact CG-OD2 3.45Å; P109-D112 WeakPolarHBondContact O-CB 3.33Å; P109-D112 PolarHBondContact O-N 3.1Å; R110-D112 PolarHBondContact O-N 3.01Å
113	L	36.2	Very low	37.4	Very low	19 Å²	19	57.7 Å²	57.7	10%	0.099	30%	0.302	C	S	.	.	S	Bend	trans	-83.7	147.1	169.9	-63.9	178.2	0	0	0	111.1	F53 F102 R110 A117	F53-L113 HydrophobicContact CB-CD2 3.71Å; F102-L113 HydrophobicContact CD1-CD1 3.7Å; F102-L113 HydrophobicContact CE1-CD1 3.49Å; F102-L113 VanDerWaalsContact CE1-CD1 3.49Å; F102-L113 HydrophobicContact CZ-CD1 4.13Å; R110-L113 WeakPolarHBondContact O-CB 3.46Å; R110-L113 PolarHBondContact O-N 3.44Å; R110-L113 VanDerWaalsContact O-N 3.16Å; L113-A117 HydrophobicContact CB-CB 4.41Å
114	S	30.7	Very low	37.2	Very low	45 Å²	45	55.1 Å²	55.1	32%	0.315	29%	0.291	S	S	.	.			trans	-61.2	144.8	173.7	66.1	0	0	0	0	111.2	F53 L116 A117 A118	F53-S114 PolarHBondContact O-N 2.93Å; F53-S114 PolarHBondContact O-OG 3.31Å; S114-L116 PolarHBondContact O-N 3.1Å; S114-L116 VanDerWaalsContact O-N 3.1Å; S114-A117 WeakPolarHBondContact O-CA 2.82Å; S114-A117 VanDerWaalsContact O-CB 3.29Å; S114-A117 WeakPolarHBondContact O-CB 3.34Å; S114-A117 PolarHBondContact O-N 3.47Å; S114-A117 WeakPolarHBondContact OG-CB 3.29Å; S114-A117 PolarHBondContact OG-N 3.35Å; S114-A118 PolarHBondContact O-N 2.82Å; S114-A118 VanDerWaalsContact O-N 3.15Å
115	F	31.5	Very low	37.3	Very low	156 Å²	156	54.3 Å²	54.3	68%	0.684	28%	0.28	S	S	*	.	H	α-helix	trans	-50.2	-39.2	178	173	-97.8	0	0	0	112.8	A117 A118 Y119 I184	F115-A117 VanDerWaalsContact C-N 3.33Å; F115-A117 PolarHBondContact O-N 3.08Å; F115-A118 PolarHBondContact O-N 3.47Å; F115-Y119 VanDerWaalsContact O-CB 3.29Å; F115-Y119 WeakPolarHBondContact O-CB 3.33Å; F115-Y119 PolarHBondContact O-N 3.47Å; F115-I184 HydrophobicContact CZ-CG2 4.48Å
116	L	33.6	Very low	37.4	Very low	86 Å²	86	56 Å²	56	45%	0.45	29%	0.289	S	S	.	.	H	α-helix	trans	-67.5	-32.3	179.3	-151.2	83.4	0	0	0	112.7	S114 R120	S114-L116 PolarHBondContact O-N 3.1Å; S114-L116 VanDerWaalsContact O-N 3.1Å; L116-R120 VanDerWaalsContact O-CG 3.31Å; L116-R120 WeakPolarHBondContact O-CG 3.36Å; L116-R120 PolarHBondContact O-N 2.73Å
117	A	33.6	Very low	37.4	Very low	5 Å²	5	58.5 Å²	58.5	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-69.7	-50.4	174.9	0	0	0	0	0	111	F53 L113 S114 F115 Y119 R120 I121	F53-A117 HydrophobicContact CB-CB 3.68Å; F53-A117 HydrophobicContact CD1-CB 3.55Å; F53-A117 HydrophobicContact CG-CB 4.06Å; F53-A117 WeakPolarHBondContact O-CB 3.48Å; L113-A117 HydrophobicContact CB-CB 4.41Å; S114-A117 WeakPolarHBondContact O-CA 2.82Å; S114-A117 VanDerWaalsContact O-CB 3.29Å; S114-A117 WeakPolarHBondContact O-CB 3.34Å; S114-A117 PolarHBondContact O-N 3.47Å; S114-A117 WeakPolarHBondContact OG-CB 3.29Å; S114-A117 PolarHBondContact OG-N 3.35Å; F115-A117 VanDerWaalsContact C-N 3.33Å; F115-A117 PolarHBondContact O-N 3.08Å; A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 3.03Å; A117-R120 PolarHBondContact O-N 2.88Å; A117-I121 WeakPolarHBondContact O-CD1 3.47Å; A117-I121 WeakPolarHBondContact O-CG1 3.12Å; A117-I121 PolarHBondContact O-N 3.42Å
118	A	34.6	Very low	36.7	Very low	25 Å²	25	63.7 Å²	63.7	21%	0.207	31%	0.309	C	S	.	.	H	α-helix	trans	-56.5	-44.3	175.5	0	0	0	0	0	111.7	S114 F115 R120 I121 D122	S114-A118 PolarHBondContact O-N 2.82Å; S114-A118 VanDerWaalsContact O-N 3.15Å; F115-A118 PolarHBondContact O-N 3.47Å; A118-R120 PolarHBondContact O-N 3.27Å; A118-I121 PolarHBondContact O-N 3.41Å; A118-D122 PolarHBondContact O-N 3.33Å
119	Y	37	Very low	36.4	Very low	52 Å²	52	67.4 Å²	67.4	20%	0.204	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-43.7	178.1	170.3	-117.7	0	0	0	114.5	F115 A117 S123 I184	F115-Y119 VanDerWaalsContact O-CB 3.29Å; F115-Y119 WeakPolarHBondContact O-CB 3.33Å; F115-Y119 PolarHBondContact O-N 3.47Å; A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 3.03Å; Y119-S123 WeakPolarHBondContact O-CB 3.31Å; Y119-S123 PolarHBondContact O-N 3.44Å; Y119-S123 PolarHBondContact O-OG 3.5Å; Y119-I184 HydrophobicContact CD2-CD1 3.53Å; Y119-I184 HydrophobicContact CD2-CG1 3.72Å; Y119-I184 HydrophobicContact CE2-CD1 3.05Å; Y119-I184 HydrophobicContact CE2-CG1 3.52Å
120	R	35.8	Very low	35.9	Very low	70 Å²	70	71.5 Å²	71.5	26%	0.264	34%	0.341	S	S	.	.	H	α-helix	trans	-73.9	-31.5	-177.7	-73.5	179	-175.8	-150.2	11.7	112.4	I65 L116 A117 A118 A124	I65-R120 VanDerWaalsContact CD1-CZ 3.44Å; I65-R120 VanDerWaalsContact CG2-CD 3.47Å; I65-R120 VanDerWaalsContact CG2-NH1 3.27Å; L116-R120 VanDerWaalsContact O-CG 3.31Å; L116-R120 WeakPolarHBondContact O-CG 3.36Å; L116-R120 PolarHBondContact O-N 2.73Å; A117-R120 PolarHBondContact O-N 2.88Å; A118-R120 PolarHBondContact O-N 3.27Å; R120-A124 VanDerWaalsContact O-CB 3.31Å; R120-A124 WeakPolarHBondContact O-CB 3.23Å; R120-A124 PolarHBondContact O-N 2.62Å
121	I	39.8	Very low	35.4	Very low	8 Å²	8	69.7 Å²	69.7	4%	0.041	35%	0.348	C	S	.	.	H	α-helix	trans	-70.5	-46.5	176.9	-64	176.9	0	0	0	110	F53 W69 F102 A117 A118 A124 L125	F53-I121 HydrophobicContact CD1-CD1 3.99Å; F53-I121 HydrophobicContact CE1-CD1 3.86Å; F53-I121 HydrophobicContact CE1-CG1 4.14Å; F53-I121 HydrophobicContact CG-CD1 4.4Å; F53-I121 HydrophobicContact CZ-CD1 4.19Å; W69-I121 HydrophobicContact CE3-CD1 4.43Å; W69-I121 HydrophobicContact CE3-CG1 3.79Å; W69-I121 HydrophobicContact CH2-CB 4.1Å; W69-I121 HydrophobicContact CH2-CG1 4.08Å; W69-I121 HydrophobicContact CH2-CG2 3.55Å; W69-I121 HydrophobicContact CZ3-CB 3.94Å; W69-I121 HydrophobicContact CZ3-CD1 3.95Å; W69-I121 HydrophobicContact CZ3-CG1 3.4Å; W69-I121 VanDerWaalsContact CZ3-CG1 3.4Å; W69-I121 HydrophobicContact CZ3-CG2 3.71Å; F102-I121 HydrophobicContact CE1-CD1 3.87Å; F102-I121 HydrophobicContact CZ-CD1 3.52Å; F102-I121 HydrophobicContact CZ-CG2 4.09Å; A117-I121 WeakPolarHBondContact O-CD1 3.47Å; A117-I121 WeakPolarHBondContact O-CG1 3.12Å; A117-I121 PolarHBondContact O-N 3.42Å; A118-I121 PolarHBondContact O-N 3.41Å; I121-A124 PolarHBondContact O-N 3.23Å; I121-L125 HydrophobicContact CG2-CD1 4.12Å; I121-L125 WeakPolarHBondContact O-CG 3.36Å; I121-L125 PolarHBondContact O-N 2.85Å
122	D	39.4	Very low	35.1	Very low	64 Å²	64	68.7 Å²	68.7	34%	0.342	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-43.2	174.7	-75.9	-19.6	0	0	0	111.5	R110 A118 A124 L125 L126	R110-D122 IonicContact NH2-OD1 3.58Å; R110-D122 IonicContact NH2-OD2 3.45Å; A118-D122 PolarHBondContact O-N 3.33Å; D122-A124 VanDerWaalsContact C-N 3.35Å; D122-A124 PolarHBondContact O-N 3.06Å; D122-L125 PolarHBondContact O-N 3.35Å; D122-L126 VanDerWaalsContact O-CB 3.23Å; D122-L126 WeakPolarHBondContact O-CB 3.32Å; D122-L126 VanDerWaalsContact O-CD1 3.32Å; D122-L126 WeakPolarHBondContact O-CD1 3.29Å; D122-L126 WeakPolarHBondContact O-CG 3.38Å; D122-L126 PolarHBondContact O-N 3.43Å
123	S	38.5	Very low	34.6	Very low	21 Å²	21	69.5 Å²	69.5	15%	0.147	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-38.7	174.5	-84.5	0	0	0	0	113.4	Y119 L126 K127	Y119-S123 WeakPolarHBondContact O-CB 3.31Å; Y119-S123 PolarHBondContact O-N 3.44Å; Y119-S123 PolarHBondContact O-OG 3.5Å; S123-L126 PolarHBondContact O-N 2.75Å; S123-K127 WeakPolarHBondContact O-CB 3.12Å; S123-K127 PolarHBondContact O-N 2.98Å
124	A	37	Very low	34.1	Very low	19 Å²	19	73 Å²	73	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-70	-39.6	178.6	0	0	0	0	0	112.1	W69 R120 I121 D122 L126 R128	W69-A124 HydrophobicContact CD2-CB 4.46Å; W69-A124 HydrophobicContact CZ2-CB 3.67Å; W69-A124 VanDerWaalsContact NE1-CB 3.33Å; R120-A124 VanDerWaalsContact O-CB 3.31Å; R120-A124 WeakPolarHBondContact O-CB 3.23Å; R120-A124 PolarHBondContact O-N 2.62Å; I121-A124 PolarHBondContact O-N 3.23Å; D122-A124 VanDerWaalsContact C-N 3.35Å; D122-A124 PolarHBondContact O-N 3.06Å; A124-L126 VanDerWaalsContact C-N 3.33Å; A124-R128 WeakPolarHBondContact O-CB 3.46Å; A124-R128 PolarHBondContact O-N 3.11Å; A124-R128 VanDerWaalsContact O-N 3.1Å
125	L	37.5	Very low	33.9	Very low	59 Å²	59	73.4 Å²	73.4	31%	0.309	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-41.3	172	-73.5	165	0	0	0	111.3	I121 D122 R128 N129	I121-L125 HydrophobicContact CG2-CD1 4.12Å; I121-L125 WeakPolarHBondContact O-CG 3.36Å; I121-L125 PolarHBondContact O-N 2.85Å; D122-L125 PolarHBondContact O-N 3.35Å; L125-R128 PolarHBondContact O-N 3.37Å; L125-N129 WeakPolarHBondContact O-CB 3.36Å; L125-N129 PolarHBondContact O-N 2.85Å; L125-N129 VanDerWaalsContact O-N 3.1Å; L125-N129 PolarHBondContact O-ND2 3.19Å
126	L	36.7	Very low	33.6	Very low	49 Å²	49	69.9 Å²	69.9	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-73.6	-37.6	-179.4	-72.8	165.9	0	0	0	113.2	D122 S123 A124 N129 F130 R183	D122-L126 VanDerWaalsContact O-CB 3.23Å; D122-L126 WeakPolarHBondContact O-CB 3.32Å; D122-L126 VanDerWaalsContact O-CD1 3.32Å; D122-L126 WeakPolarHBondContact O-CD1 3.29Å; D122-L126 WeakPolarHBondContact O-CG 3.38Å; D122-L126 PolarHBondContact O-N 3.43Å; S123-L126 PolarHBondContact O-N 2.75Å; A124-L126 VanDerWaalsContact C-N 3.33Å; L126-N129 PolarHBondContact O-N 3.03Å; L126-F130 HydrophobicContact CD2-CD2 3.96Å; L126-F130 HydrophobicContact CD2-CE2 3.84Å; L126-F130 WeakPolarHBondContact O-CB 3.3Å; L126-F130 WeakPolarHBondContact O-CD2 3.22Å; L126-F130 PolarHBondContact O-N 3.22Å; L126-R183 HydrophobicContact CD1-CB 3.99Å; L126-R183 HydrophobicContact CD1-CG 4.18Å; L126-R183 PolarHBondContact O-NH1 3.01Å
127	K	38.1	Very low	33.3	Very low	63 Å²	63	66.3 Å²	66.3	27%	0.274	35%	0.347	S	S	.	.	H	α-helix	trans	-62.4	-43.2	170.8	-89.3	-164.3	-179.9	-163.1	0	111.7	S123 N129 G131 E132 E180	S123-K127 WeakPolarHBondContact O-CB 3.12Å; S123-K127 PolarHBondContact O-N 2.98Å; K127-N129 VanDerWaalsContact C-N 3.3Å; K127-N129 PolarHBondContact O-N 3.19Å; K127-G131 PolarHBondContact O-N 3.36Å; K127-E132 HydrophobicContact CD-CG 4.34Å; K127-E132 WeakPolarHBondContact CE-OE1 3.4Å; K127-E132 IonicContact NZ-OE1 3.85Å; K127-E132 PolarHBondContact NZ-OE1 2.96Å; K127-E180 WeakPolarHBondContact CE-OE1 3.2Å; K127-E180 IonicContact NZ-OE1 2.68Å; K127-E180 PolarHBondContact NZ-OE1 2.99Å
128	R	32.8	Very low	32.9	Very low	176 Å²	176	73.1 Å²	73.1	66%	0.664	38%	0.376	S	S	*	.	H	α-helix	trans	-65.3	-34.8	-179.5	-167.4	-179.3	-178.3	-164.6	-3.1	112.3	A124 L125	A124-R128 WeakPolarHBondContact O-CB 3.46Å; A124-R128 PolarHBondContact O-N 3.11Å; A124-R128 VanDerWaalsContact O-N 3.1Å; L125-R128 PolarHBondContact O-N 3.37Å
129	N	32.4	Very low	32.6	Very low	112 Å²	112	72.7 Å²	72.7	60%	0.599	37%	0.37	S	S	*	.	H	α-helix	trans	-92.1	-20.9	-177.6	-70.6	-36.4	0	0	0	114.1	L125 L126 K127	L125-N129 WeakPolarHBondContact O-CB 3.36Å; L125-N129 PolarHBondContact O-N 2.85Å; L125-N129 VanDerWaalsContact O-N 3.1Å; L125-N129 PolarHBondContact O-ND2 3.19Å; L126-N129 PolarHBondContact O-N 3.03Å; K127-N129 VanDerWaalsContact C-N 3.3Å; K127-N129 PolarHBondContact O-N 3.19Å
130	F	31.5	Very low	32.1	Very low	128 Å²	128	76.1 Å²	76.1	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-137.4	-2.5	-169.5	-59.9	-88.4	0	0	0	116.9	L126	L126-F130 HydrophobicContact CD2-CD2 3.96Å; L126-F130 HydrophobicContact CD2-CE2 3.84Å; L126-F130 WeakPolarHBondContact O-CB 3.3Å; L126-F130 WeakPolarHBondContact O-CD2 3.22Å; L126-F130 PolarHBondContact O-N 3.22Å
131	G	29.6	Very low	31.7	Very low	43 Å²	43	75 Å²	75	44%	0.443	39%	0.391	S	S	.	.			trans	73.6	-173.6	179.1	0	0	0	0	0	115.5	K127	K127-G131 PolarHBondContact O-N 3.36Å
132	E	31.9	Very low	31	Very low	150 Å²	150	80.1 Å²	80.1	70%	0.701	42%	0.423	S	S	*	.	S	Bend	trans	-107.1	7.7	-164.1	-64.6	-165.7	143.6	0	0	116.7	K127	K127-E132 HydrophobicContact CD-CG 4.34Å; K127-E132 WeakPolarHBondContact CE-OE1 3.4Å; K127-E132 IonicContact NZ-OE1 3.85Å; K127-E132 PolarHBondContact NZ-OE1 2.96Å
133	E	28.1	Very low	30.3	Very low	109 Å²	109	88.1 Å²	88.1	51%	0.509	45%	0.448	S	S	.	.			trans	-78	140.4	-174.6	-87	169.7	-168.2	0	0	114.3	M179 K220	E133-M179 WeakPolarHBondContact O-CG 3.18Å; E133-K220 IonicContact OE1-NZ 2.88Å; E133-K220 PolarHBondContact OE1-NZ 3.18Å; E133-K220 WeakPolarHBondContact OE2-CD 3.36Å; E133-K220 IonicContact OE2-NZ 2.64Å; E133-K220 PolarHBondContact OE2-NZ 3.46Å
134	P	25.7	Very low	29.8	Very low	93 Å²	93	92.3 Å²	92.3	60%	0.604	46%	0.464	S	S	*	.			trans	-81.8	142.3	-179.3	32.2	-32.7	0	0	0	112.3
135	V	26.6	Very low	29.3	Very low	53 Å²	53	97 Å²	97	32%	0.321	50%	0.496	S	S	.	.			trans	-128.2	128	179.8	-178.5	0	0	0	0	108.1	V137 I177 M179	V135-V137 HydrophobicContact CG1-CG2 4Å; V135-I177 PolarHBondContact N-O 2.69Å; V135-M179 HydrophobicContact CB-CG 3.53Å; V135-M179 HydrophobicContact CB-SD 3.47Å; V135-M179 WeakPolarHBondContact CB-SD 3.49Å; V135-M179 HydrophobicContact CG1-SD 4.32Å; V135-M179 HydrophobicContact CG2-CE 4.01Å; V135-M179 HydrophobicContact CG2-CG 3.31Å; V135-M179 HydrophobicContact CG2-SD 3.51Å; V135-M179 VanDerWaalsContact CG2-SD 3.51Å
136	S	25.6	Very low	28.7	Very low	83 Å²	83	104.5 Å²	104.5	58%	0.58	52%	0.52	S	S	*	.			trans	-84.7	124.4	177.9	-172.7	0	0	0	0	111
137	V	26.5	Very low	28.6	Very low	11 Å²	11	108.7 Å²	108.7	7%	0.067	54%	0.538	C	S	.	.			trans	-138.6	129.3	179.6	-178	0	0	0	0	110.1	V135 I139 I177 L182	V135-V137 HydrophobicContact CG1-CG2 4Å; V137-I139 HydrophobicContact CG1-CG1 4.09Å; V137-I177 HydrophobicContact CB-CD1 4.48Å; V137-I177 WeakPolarHBondContact O-CD1 3.45Å; V137-L182 HydrophobicContact CB-CD1 3.58Å; V137-L182 HydrophobicContact CB-CD2 3.74Å; V137-L182 HydrophobicContact CB-CG 4.31Å; V137-L182 HydrophobicContact CG1-CD1 4.1Å; V137-L182 HydrophobicContact CG1-CD2 4.01Å; V137-L182 HydrophobicContact CG2-CD1 4.12Å; V137-L182 HydrophobicContact CG2-CD2 3.43Å; V137-L182 VanDerWaalsContact CG2-CD2 3.43Å; V137-L182 HydrophobicContact CG2-CG 4.43Å
138	K	26.8	Very low	28.4	Very low	147 Å²	147	106.6 Å²	106.6	64%	0.639	53%	0.531	S	S	*	.			trans	-86.7	113.7	172.5	-168.7	177.4	-177.3	179.4	0	108.8
139	I	27.7	Very low	28.6	Very low	16 Å²	16	103 Å²	103	8%	0.082	53%	0.529	C	S	.	.			trans	-109.5	121	176.8	-52.4	175.8	0	0	0	109.3	V137 L141 L182 L186	V137-I139 HydrophobicContact CG1-CG1 4.09Å; I139-L141 HydrophobicContact CB-CG 4.4Å; I139-L141 HydrophobicContact CG2-CD1 4.36Å; I139-L141 HydrophobicContact CG2-CD2 3.64Å; I139-L141 HydrophobicContact CG2-CG 3.62Å; I139-L141 PolarHBondContact O-N 3.28Å; I139-L182 HydrophobicContact CD1-CD1 3.42Å; I139-L182 VanDerWaalsContact CD1-CD1 3.42Å; I139-L182 HydrophobicContact CD1-CG 3.99Å; I139-L182 HydrophobicContact CG1-CD1 4.05Å; I139-L186 HydrophobicContact CD1-CD1 4.24Å; I139-L186 HydrophobicContact CD1-CG 4.45Å
140	N	26.8	Very low	28.8	Very low	124 Å²	124	105.6 Å²	105.6	66%	0.663	53%	0.534	S	S	*	.			trans	-87.6	96.1	168.1	-90.9	-16.6	0	0	0	109.4	T142	N140-T142 PolarHBondContact O-N 3.03Å
141	L	26.5	Very low	28.9	Very low	47 Å²	47	105.7 Å²	105.7	25%	0.246	54%	0.541	C	S	.	.			trans	-88.1	93.3	178.6	-67.2	163.9	0	0	0	110	I139 R143 F144	I139-L141 HydrophobicContact CB-CG 4.4Å; I139-L141 HydrophobicContact CG2-CD1 4.36Å; I139-L141 HydrophobicContact CG2-CD2 3.64Å; I139-L141 HydrophobicContact CG2-CG 3.62Å; I139-L141 PolarHBondContact O-N 3.28Å; L141-R143 VanDerWaalsContact C-N 3.31Å; L141-R143 PolarHBondContact O-N 3.45Å; L141-F144 HydrophobicContact CB-CD2 4.01Å; L141-F144 HydrophobicContact CB-CE2 4.15Å; L141-F144 HydrophobicContact CD1-CD2 4.36Å; L141-F144 HydrophobicContact CD1-CE2 3.84Å; L141-F144 HydrophobicContact CD2-CE2 4.2Å; L141-F144 HydrophobicContact CG-CE2 4.27Å
142	T	24.6	Very low	29.2	Very low	116 Å²	116	108.8 Å²	108.8	71%	0.712	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	12.2	-177.1	42.9	0	0	0	0	114.9	N140	N140-T142 PolarHBondContact O-N 3.03Å
143	R	25.3	Very low	29.3	Very low	231 Å²	231	105.2 Å²	105.2	87%	0.872	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.1	18.6	-171.2	-75.6	-168.5	177.5	-175.6	0.3	117.6	L141 S145	L141-R143 VanDerWaalsContact C-N 3.31Å; L141-R143 PolarHBondContact O-N 3.45Å; R143-S145 PolarHBondContact O-N 2.84Å; R143-S145 VanDerWaalsContact O-N 3.17Å
144	F	28.4	Very low	29.7	Very low	110 Å²	110	105.4 Å²	105.4	48%	0.482	53%	0.531	S	S	.	.			trans	-79.5	101.3	166	-78.3	-86.5	0	0	0	109.4	L141 R146 H185	L141-F144 HydrophobicContact CB-CD2 4.01Å; L141-F144 HydrophobicContact CB-CE2 4.15Å; L141-F144 HydrophobicContact CD1-CD2 4.36Å; L141-F144 HydrophobicContact CD1-CE2 3.84Å; L141-F144 HydrophobicContact CD2-CE2 4.2Å; L141-F144 HydrophobicContact CG-CE2 4.27Å; F144-R146 VanDerWaalsContact C-N 3.3Å; F144-H185 AromaticContact CZ-NE2 3.96Å
145	S	25.3	Very low	30	Very low	118 Å²	118	109.4 Å²	109.4	83%	0.825	54%	0.536	S	S	*	.			trans	-89.2	9.8	175.5	57.1	0	0	0	0	113.5	R143	R143-S145 PolarHBondContact O-N 2.84Å; R143-S145 VanDerWaalsContact O-N 3.17Å
146	R	26.5	Very low	30.2	Very low	216 Å²	216	109.2 Å²	109.2	82%	0.815	53%	0.533	S	S	*	.	S	Bend	trans	-137	136.5	177.5	-67.6	-173.9	178.1	-179	-1	110.9	F144	F144-R146 VanDerWaalsContact C-N 3.3Å
147	E	34.1	Very low	30.7	Very low	136 Å²	136	108.9 Å²	108.9	64%	0.636	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-59.8	132.9	172.1	-161.8	161.4	-131.3	0	0	109.1	Y170	E147-Y170 PolarHBondContact OE1-OH 3.04Å
148	P	34	Very low	31.1	Very low	20 Å²	20	114.5 Å²	114.5	13%	0.13	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-65	139.7	177.3	-4.3	16.3	0	0	0	109.7	Q152 E153 W163	P148-Q152 HydrophobicContact CB-CB 4.06Å; P148-E153 HydrophobicContact CB-CG 4.35Å; P148-E153 HydrophobicContact CG-CG 4.41Å; P148-W163 HydrophobicContact CB-CZ2 4.24Å; P148-W163 HydrophobicContact CG-CD2 4.47Å; P148-W163 HydrophobicContact CG-CH2 3.72Å; P148-W163 HydrophobicContact CG-CZ2 3.15Å
149	V	36.1	Very low	31.4	Very low	101 Å²	101	108.6 Å²	108.6	61%	0.612	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-68.4	144.6	169.5	-101.4	0	0	0	0	109.4	D151 Q152	V149-D151 PolarHBondContact O-N 3.42Å; V149-Q152 HydrophobicContact CG2-CG 4.27Å; V149-Q152 WeakPolarHBondContact O-CA 3.31Å; V149-Q152 WeakPolarHBondContact O-CB 3.33Å; V149-Q152 PolarHBondContact O-N 3.43Å
150	K	36.9	Very low	31.5	Very low	165 Å²	165	116.3 Å²	116.3	72%	0.717	58%	0.578	S	S	*	*	H	α-helix	trans	-45.1	-31.5	-170.1	-145.9	175.2	-174.1	179.1	0	115.7	E153 N154	K150-E153 PolarHBondContact O-N 2.68Å; K150-N154 PolarHBondContact O-N 2.89Å
151	D	33.9	Very low	31.8	Very low	130 Å²	130	111 Å²	111	70%	0.695	55%	0.551	S	S	*	*	H	α-helix	trans	-73.6	-29.9	178	-64	-32.2	0	0	0	113.5	V149 Y155	V149-D151 PolarHBondContact O-N 3.42Å; D151-Y155 PolarHBondContact O-N 3.02Å
152	Q	35.7	Very low	32.1	Very low	109 Å²	109	110.5 Å²	110.5	51%	0.509	56%	0.557	S	S	.	*	H	α-helix	trans	-72.3	-35.8	173	-64.4	175.2	-26.9	0	0	111.1	P148 V149 Y155 L156	P148-Q152 HydrophobicContact CB-CB 4.06Å; V149-Q152 HydrophobicContact CG2-CG 4.27Å; V149-Q152 WeakPolarHBondContact O-CA 3.31Å; V149-Q152 WeakPolarHBondContact O-CB 3.33Å; V149-Q152 PolarHBondContact O-N 3.43Å; Q152-Y155 PolarHBondContact O-N 3.2Å; Q152-L156 WeakPolarHBondContact O-CB 3.39Å; Q152-L156 WeakPolarHBondContact O-CD1 3.42Å; Q152-L156 WeakPolarHBondContact O-CG 3.24Å; Q152-L156 PolarHBondContact O-N 3.37Å; Q152-L156 VanDerWaalsContact O-N 3.14Å
153	E	33.5	Very low	32.5	Very low	75 Å²	75	108.3 Å²	108.3	35%	0.35	54%	0.536	S	S	.	.	H	α-helix	trans	-63.6	-45	172.6	-87.7	-171.7	139.9	0	0	112.9	P148 K150 Y155 L156 T157 W163	P148-E153 HydrophobicContact CB-CG 4.35Å; P148-E153 HydrophobicContact CG-CG 4.41Å; K150-E153 PolarHBondContact O-N 2.68Å; E153-Y155 VanDerWaalsContact C-N 3.27Å; E153-Y155 PolarHBondContact O-N 3.4Å; E153-L156 PolarHBondContact O-N 3.42Å; E153-T157 WeakPolarHBondContact O-CG2 3.35Å; E153-T157 PolarHBondContact O-N 2.98Å; E153-T157 VanDerWaalsContact O-N 3.12Å; E153-T157 PolarHBondContact O-OG1 2.94Å; E153-W163 VanDerWaalsContact OE1-CD1 3.26Å
154	N	36.8	Very low	33	Very low	112 Å²	112	100.5 Å²	100.5	60%	0.599	51%	0.513	S	S	*	.	H	α-helix	trans	-64	-31.6	177.3	-83.8	-16.9	0	0	0	112.9	K150 T157	K150-N154 PolarHBondContact O-N 2.89Å; N154-T157 WeakPolarHBondContact CA-OG1 2.96Å; N154-T157 PolarHBondContact O-OG1 2.92Å; N154-T157 VanDerWaalsContact O-OG1 3.04Å
155	Y	32.2	Very low	33.1	Very low	177 Å²	177	102.1 Å²	102.1	69%	0.694	52%	0.521	S	S	*	.	H	α-helix	trans	-79.6	-30.1	-179.5	-142.5	-92.9	0	0	0	112.8	D151 Q152 E153 T158	D151-Y155 PolarHBondContact O-N 3.02Å; Q152-Y155 PolarHBondContact O-N 3.2Å; E153-Y155 VanDerWaalsContact C-N 3.27Å; E153-Y155 PolarHBondContact O-N 3.4Å; Y155-T158 PolarHBondContact O-OG1 3.27Å
156	L	32	Very low	33.3	Very low	49 Å²	49	100.1 Å²	100.1	26%	0.257	50%	0.503	S	S	.	.	H	α-helix	trans	-81.8	-21.4	178	-67.1	169.5	0	0	0	113	Q152 E153 T158 S161 W163 Y172 T181	Q152-L156 WeakPolarHBondContact O-CB 3.39Å; Q152-L156 WeakPolarHBondContact O-CD1 3.42Å; Q152-L156 WeakPolarHBondContact O-CG 3.24Å; Q152-L156 PolarHBondContact O-N 3.37Å; Q152-L156 VanDerWaalsContact O-N 3.14Å; E153-L156 PolarHBondContact O-N 3.42Å; L156-T158 VanDerWaalsContact C-N 3.26Å; L156-T158 PolarHBondContact O-N 2.88Å; L156-S161 PolarHBondContact O-OG 3.14Å; L156-W163 HydrophobicContact CD1-CZ2 4.28Å; L156-Y172 HydrophobicContact CB-CE2 4.28Å; L156-Y172 VanDerWaalsContact CB-OH 3.31Å; L156-Y172 WeakPolarHBondContact CB-OH 3.44Å; L156-Y172 HydrophobicContact CD1-CE2 4.44Å; L156-Y172 PolarHBondContact O-OH 3.37Å; L156-T181 HydrophobicContact CD2-CG2 4.34Å
157	T	35.4	Very low	33.5	Very low	76 Å²	76	97.8 Å²	97.8	47%	0.466	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	3.5	178.6	38.9	0	0	0	0	114.6	E153 N154 G159	E153-T157 WeakPolarHBondContact O-CG2 3.35Å; E153-T157 PolarHBondContact O-N 2.98Å; E153-T157 VanDerWaalsContact O-N 3.12Å; E153-T157 PolarHBondContact O-OG1 2.94Å; N154-T157 WeakPolarHBondContact CA-OG1 2.96Å; N154-T157 PolarHBondContact O-OG1 2.92Å; N154-T157 VanDerWaalsContact O-OG1 3.04Å; T157-G159 CarbonylContact C-O 3.57Å; T157-G159 PolarHBondContact O-N 2.75Å; T157-G159 VanDerWaalsContact O-O 3.06Å
158	T	35.1	Very low	33.6	Very low	130 Å²	130	93.9 Å²	93.9	80%	0.798	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	5.8	172.5	-12.7	0	0	0	0	114	Y155 L156	Y155-T158 PolarHBondContact O-OG1 3.27Å; L156-T158 VanDerWaalsContact C-N 3.26Å; L156-T158 PolarHBondContact O-N 2.88Å
159	G	31.9	Very low	33.3	Very low	23 Å²	23	96.3 Å²	96.3	24%	0.237	52%	0.519	C	S	.	.	S	Bend	trans	-133.3	172.6	165.4	0	0	0	0	0	110.9	T157 S161	T157-G159 CarbonylContact C-O 3.57Å; T157-G159 PolarHBondContact O-N 2.75Å; T157-G159 VanDerWaalsContact O-O 3.06Å; G159-S161 PolarHBondContact O-N 3.43Å
160	H	30.9	Very low	33	Very low	178 Å²	178	95.3 Å²	95.3	82%	0.824	51%	0.505	S	S	*	.	S	Bend	trans	-71.1	50.3	179.6	-75.5	32.1	0	0	0	113.1	S175	H160-S175 VanDerWaalsContact CB-OG 3.26Å; H160-S175 WeakPolarHBondContact CB-OG 3.13Å; H160-S175 PolarHBondContact O-OG 2.85Å
161	S	33.5	Very low	32.7	Very low	12 Å²	12	90.2 Å²	90.2	8%	0.084	48%	0.483	C	S	.	.			trans	-121.4	134.9	-173.7	41.8	0	0	0	0	111.4	L156 G159 Y172 N173	L156-S161 PolarHBondContact O-OG 3.14Å; G159-S161 PolarHBondContact O-N 3.43Å; S161-Y172 VanDerWaalsContact CB-CE1 3.45Å; S161-Y172 WeakPolarHBondContact CB-OH 3.44Å; S161-Y172 PolarHBondContact O-OH 2.9Å; S161-Y172 PolarHBondContact OG-OH 3.38Å; S161-N173 WeakPolarHBondContact CA-O 3.36Å; S161-N173 VanDerWaalsContact CB-O 3.29Å; S161-N173 WeakPolarHBondContact CB-O 3.21Å
162	G	32.1	Very low	32.7	Very low	37 Å²	37	85.1 Å²	85.1	38%	0.381	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.8	-174.3	0	0	0	0	0	112.3	N173	G162-N173 PolarHBondContact O-N 2.76Å; G162-N173 VanDerWaalsContact O-N 3.11Å
163	W	33	Very low	32.6	Very low	70 Å²	70	84.4 Å²	84.4	27%	0.265	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.7	172.6	-66.3	101.2	0	0	0	110	P148 E153 L156 Y172	P148-W163 HydrophobicContact CB-CZ2 4.24Å; P148-W163 HydrophobicContact CG-CD2 4.47Å; P148-W163 HydrophobicContact CG-CH2 3.72Å; P148-W163 HydrophobicContact CG-CZ2 3.15Å; E153-W163 VanDerWaalsContact OE1-CD1 3.26Å; L156-W163 HydrophobicContact CD1-CZ2 4.28Å; W163-Y172 AromaticContact CD1-CE2 3.93Å; W163-Y172 AromaticContact CD2-CD2 3.4Å; W163-Y172 HydrophobicContact CD2-CD2 3.4Å; W163-Y172 VanDerWaalsContact CD2-CD2 3.4Å; W163-Y172 HydrophobicContact CD2-CE2 4.04Å; W163-Y172 HydrophobicContact CD2-CG 4.45Å; W163-Y172 AromaticContact CE2-CD2 3.28Å; W163-Y172 AromaticContact CE2-CE2 3.62Å; W163-Y172 AromaticContact CE3-CD2 3.73Å; W163-Y172 HydrophobicContact CE3-CD2 3.73Å; W163-Y172 HydrophobicContact CE3-CG 4.4Å; W163-Y172 AromaticContact CG-CD2 3.87Å; W163-Y172 HydrophobicContact CG-CD2 3.87Å; W163-Y172 HydrophobicContact CG-CE2 4.18Å; W163-Y172 AromaticContact CH2-CD2 3.9Å; W163-Y172 HydrophobicContact CH2-CD2 3.9Å; W163-Y172 HydrophobicContact CH2-CG 4.41Å; W163-Y172 AromaticContact CZ2-CD2 3.53Å; W163-Y172 HydrophobicContact CZ2-CD2 3.53Å; W163-Y172 HydrophobicContact CZ2-CE2 4.01Å; W163-Y172 HydrophobicContact CZ2-CG 4.4Å; W163-Y172 AromaticContact CZ3-CD2 4Å; W163-Y172 HydrophobicContact CZ3-CD2 4Å; W163-Y172 HydrophobicContact CZ3-CG 4.41Å; W163-Y172 AromaticContact NE1-CD2 3.73Å; W163-Y172 AromaticContact NE1-CE2 3.57Å
164	T	34.9	Very low	32.6	Very low	66 Å²	66	82.3 Å²	82.3	41%	0.405	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.4	171.7	3.5	0	0	0	0	108.4	H171	T164-H171 PolarHBondContact N-O 3.12Å; T164-H171 WeakPolarHBondContact O-CA 3.09Å; T164-H171 WeakPolarHBondContact O-CB 3.09Å; T164-H171 PolarHBondContact O-N 2.77Å; T164-H171 VanDerWaalsContact O-O 3.12Å
165	K	30.2	Very low	32.2	Very low	145 Å²	145	80 Å²	80	63%	0.63	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.1	175.5	-169.2	172.6	-176.1	170.5	0	108.7
166	V	29.9	Very low	31.9	Very low	76 Å²	76	75.4 Å²	75.4	46%	0.461	43%	0.426	S	S	.	.			trans	-130	105	177.7	-167.4	0	0	0	0	108.4	G168 P169	V166-G168 PolarHBondContact O-N 3.37Å; V166-P169 PolarHBondContact N-O 3.36Å
167	N	30.7	Very low	32	Very low	167 Å²	167	73.5 Å²	73.5	89%	0.893	42%	0.416	S	S	*	.	S	Bend	trans	45.2	54.6	174.3	-68.8	-10.7	0	0	0	116.3	P169	N167-P169 VanDerWaalsContact O-CD 3.24Å; N167-P169 WeakPolarHBondContact O-CD 3.49Å
168	G	36.6	Very low	31.8	Very low	54 Å²	54	78.4 Å²	78.4	56%	0.557	43%	0.426	S	S	*	.	S	Bend	trans	116.7	-76.7	173.6	0	0	0	0	0	112.2	V166	V166-G168 PolarHBondContact O-N 3.37Å
169	P	27.4	Very low	31.6	Very low	71 Å²	71	74.2 Å²	74.2	46%	0.461	40%	0.398	S	S	.	.	S	Bend	trans	-75.5	151.2	-179.4	28.7	-30.7	0	0	0	113.1	V166 N167 H171	V166-P169 PolarHBondContact N-O 3.36Å; N167-P169 VanDerWaalsContact O-CD 3.24Å; N167-P169 WeakPolarHBondContact O-CD 3.49Å; P169-H171 PolarHBondContact O-CD2 2.94Å
170	Y	29.4	Very low	31.6	Very low	80 Å²	80	76 Å²	76	31%	0.314	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.1	171.5	-73.4	-87	0	0	0	109.7	E147	E147-Y170 PolarHBondContact OE1-OH 3.04Å
171	H	31.3	Very low	31.6	Very low	58 Å²	58	70 Å²	70	27%	0.269	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.3	172.3	-65.6	-96.8	0	0	0	109.2	T164 P169	T164-H171 PolarHBondContact N-O 3.12Å; T164-H171 WeakPolarHBondContact O-CA 3.09Å; T164-H171 WeakPolarHBondContact O-CB 3.09Å; T164-H171 PolarHBondContact O-N 2.77Å; T164-H171 VanDerWaalsContact O-O 3.12Å; P169-H171 PolarHBondContact O-CD2 2.94Å
172	Y	33.8	Very low	31.5	Very low	23 Å²	23	69.7 Å²	69.7	9%	0.09	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115	174.4	-161.8	-94.7	0	0	0	109.5	L156 S161 W163 Y174	L156-Y172 HydrophobicContact CB-CE2 4.28Å; L156-Y172 VanDerWaalsContact CB-OH 3.31Å; L156-Y172 WeakPolarHBondContact CB-OH 3.44Å; L156-Y172 HydrophobicContact CD1-CE2 4.44Å; L156-Y172 PolarHBondContact O-OH 3.37Å; S161-Y172 VanDerWaalsContact CB-CE1 3.45Å; S161-Y172 WeakPolarHBondContact CB-OH 3.44Å; S161-Y172 PolarHBondContact O-OH 2.9Å; S161-Y172 PolarHBondContact OG-OH 3.38Å; W163-Y172 AromaticContact CD1-CE2 3.93Å; W163-Y172 AromaticContact CD2-CD2 3.4Å; W163-Y172 HydrophobicContact CD2-CD2 3.4Å; W163-Y172 VanDerWaalsContact CD2-CD2 3.4Å; W163-Y172 HydrophobicContact CD2-CE2 4.04Å; W163-Y172 HydrophobicContact CD2-CG 4.45Å; W163-Y172 AromaticContact CE2-CD2 3.28Å; W163-Y172 AromaticContact CE2-CE2 3.62Å; W163-Y172 AromaticContact CE3-CD2 3.73Å; W163-Y172 HydrophobicContact CE3-CD2 3.73Å; W163-Y172 HydrophobicContact CE3-CG 4.4Å; W163-Y172 AromaticContact CG-CD2 3.87Å; W163-Y172 HydrophobicContact CG-CD2 3.87Å; W163-Y172 HydrophobicContact CG-CE2 4.18Å; W163-Y172 AromaticContact CH2-CD2 3.9Å; W163-Y172 HydrophobicContact CH2-CD2 3.9Å; W163-Y172 HydrophobicContact CH2-CG 4.41Å; W163-Y172 AromaticContact CZ2-CD2 3.53Å; W163-Y172 HydrophobicContact CZ2-CD2 3.53Å; W163-Y172 HydrophobicContact CZ2-CE2 4.01Å; W163-Y172 HydrophobicContact CZ2-CG 4.4Å; W163-Y172 AromaticContact CZ3-CD2 4Å; W163-Y172 HydrophobicContact CZ3-CD2 4Å; W163-Y172 HydrophobicContact CZ3-CG 4.41Å; W163-Y172 AromaticContact NE1-CD2 3.73Å; W163-Y172 AromaticContact NE1-CE2 3.57Å; Y172-Y174 AromaticContact CD1-CD1 3.92Å; Y172-Y174 HydrophobicContact CD1-CD1 3.92Å; Y172-Y174 AromaticContact CD1-CD2 3.56Å; Y172-Y174 HydrophobicContact CD1-CD2 3.56Å; Y172-Y174 AromaticContact CD1-CE1 3.66Å; Y172-Y174 HydrophobicContact CD1-CE1 3.66Å; Y172-Y174 AromaticContact CD1-CE2 3.24Å; Y172-Y174 HydrophobicContact CD1-CE2 3.24Å; Y172-Y174 AromaticContact CD1-CG 3.88Å; Y172-Y174 HydrophobicContact CD1-CG 3.88Å; Y172-Y174 AromaticContact CD1-CZ 3.28Å; Y172-Y174 AromaticContact CE1-CD1 3.65Å; Y172-Y174 HydrophobicContact CE1-CD1 3.65Å; Y172-Y174 HydrophobicContact CE1-CD2 4.17Å; Y172-Y174 AromaticContact CE1-CE1 3.29Å; Y172-Y174 HydrophobicContact CE1-CE1 3.29Å; Y172-Y174 AromaticContact CE1-CE2 3.84Å; Y172-Y174 HydrophobicContact CE1-CE2 3.84Å; Y172-Y174 HydrophobicContact CE1-CG 4.08Å; Y172-Y174 AromaticContact CE1-CZ 3.35Å; Y172-Y174 HydrophobicContact CG-CE2 4.23Å
173	N	33.2	Very low	31.6	Very low	94 Å²	94	71 Å²	71	50%	0.503	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.9	-177.7	-162	3	0	0	0	109.9	S161 G162	S161-N173 WeakPolarHBondContact CA-O 3.36Å; S161-N173 VanDerWaalsContact CB-O 3.29Å; S161-N173 WeakPolarHBondContact CB-O 3.21Å; G162-N173 PolarHBondContact O-N 2.76Å; G162-N173 VanDerWaalsContact O-N 3.11Å
174	Y	33.9	Very low	31.5	Very low	31 Å²	31	70.9 Å²	70.9	12%	0.122	37%	0.371	C	S	.	.			trans	-92.1	116.5	176.9	-76.2	-77.7	0	0	0	110.6	Y172 I177	Y172-Y174 AromaticContact CD1-CD1 3.92Å; Y172-Y174 HydrophobicContact CD1-CD1 3.92Å; Y172-Y174 AromaticContact CD1-CD2 3.56Å; Y172-Y174 HydrophobicContact CD1-CD2 3.56Å; Y172-Y174 AromaticContact CD1-CE1 3.66Å; Y172-Y174 HydrophobicContact CD1-CE1 3.66Å; Y172-Y174 AromaticContact CD1-CE2 3.24Å; Y172-Y174 HydrophobicContact CD1-CE2 3.24Å; Y172-Y174 AromaticContact CD1-CG 3.88Å; Y172-Y174 HydrophobicContact CD1-CG 3.88Å; Y172-Y174 AromaticContact CD1-CZ 3.28Å; Y172-Y174 AromaticContact CE1-CD1 3.65Å; Y172-Y174 HydrophobicContact CE1-CD1 3.65Å; Y172-Y174 HydrophobicContact CE1-CD2 4.17Å; Y172-Y174 AromaticContact CE1-CE1 3.29Å; Y172-Y174 HydrophobicContact CE1-CE1 3.29Å; Y172-Y174 AromaticContact CE1-CE2 3.84Å; Y172-Y174 HydrophobicContact CE1-CE2 3.84Å; Y172-Y174 HydrophobicContact CE1-CG 4.08Å; Y172-Y174 AromaticContact CE1-CZ 3.35Å; Y172-Y174 HydrophobicContact CG-CE2 4.23Å; Y174-I177 HydrophobicContact CD1-CD1 3.63Å; Y174-I177 HydrophobicContact CD1-CG1 3.37Å; Y174-I177 HydrophobicContact CD2-CD1 3.85Å; Y174-I177 HydrophobicContact CD2-CG1 4.49Å; Y174-I177 HydrophobicContact CE1-CD1 4.15Å; Y174-I177 HydrophobicContact CE1-CG1 4.01Å; Y174-I177 HydrophobicContact CE2-CD1 4.36Å; Y174-I177 HydrophobicContact CG-CD1 3.47Å; Y174-I177 VanDerWaalsContact CG-CD1 3.47Å; Y174-I177 HydrophobicContact CG-CG1 3.66Å
175	S	28.6	Very low	31.2	Very low	62 Å²	62	71.6 Å²	71.6	43%	0.434	37%	0.369	S	S	.	.	S	Bend	trans	-95.3	-24.5	169.7	61.7	0	0	0	0	112.8	H160	H160-S175 VanDerWaalsContact CB-OG 3.26Å; H160-S175 WeakPolarHBondContact CB-OG 3.13Å; H160-S175 PolarHBondContact O-OG 2.85Å
176	T	27.3	Very low	31.1	Very low	81 Å²	81	65.3 Å²	65.3	50%	0.497	34%	0.342	S	S	.	.			trans	-148.6	121.2	177.6	41.6	0	0	0	0	110
177	I	32.1	Very low	31	Very low	9 Å²	9	64.8 Å²	64.8	5%	0.046	35%	0.346	C	S	.	.			trans	-111.7	127.6	173.6	-62.9	180	0	0	0	108.7	V135 V137 Y174 L182	V135-I177 PolarHBondContact N-O 2.69Å; V137-I177 HydrophobicContact CB-CD1 4.48Å; V137-I177 WeakPolarHBondContact O-CD1 3.45Å; Y174-I177 HydrophobicContact CD1-CD1 3.63Å; Y174-I177 HydrophobicContact CD1-CG1 3.37Å; Y174-I177 HydrophobicContact CD2-CD1 3.85Å; Y174-I177 HydrophobicContact CD2-CG1 4.49Å; Y174-I177 HydrophobicContact CE1-CD1 4.15Å; Y174-I177 HydrophobicContact CE1-CG1 4.01Å; Y174-I177 HydrophobicContact CE2-CD1 4.36Å; Y174-I177 HydrophobicContact CG-CD1 3.47Å; Y174-I177 VanDerWaalsContact CG-CD1 3.47Å; Y174-I177 HydrophobicContact CG-CG1 3.66Å; I177-L182 HydrophobicContact CB-CD1 4.25Å; I177-L182 HydrophobicContact CD1-CD1 3.19Å; I177-L182 HydrophobicContact CG1-CD1 4.26Å; I177-L182 HydrophobicContact CG2-CB 3.85Å; I177-L182 HydrophobicContact CG2-CD1 3.7Å; I177-L182 HydrophobicContact CG2-CG 4.43Å
178	R	31.4	Very low	30.9	Very low	180 Å²	180	59.3 Å²	59.3	68%	0.679	32%	0.319	S	S	*	.			trans	-72.8	128.4	157	-76.8	-173.4	171.5	-168.3	-1	106.9	E180 T181	R178-E180 PolarHBondContact O-N 2.75Å; R178-T181 PolarHBondContact O-N 3.19Å
179	M	32.6	Very low	30.3	Very low	41 Å²	41	60.5 Å²	60.5	20%	0.202	31%	0.312	C	S	.	.	H	α-helix	trans	-47.3	-27.1	-177.9	-91.1	-71	-91.5	0	0	114.7	E133 V135 T181 L182 R183	E133-M179 WeakPolarHBondContact O-CG 3.18Å; V135-M179 HydrophobicContact CB-CG 3.53Å; V135-M179 HydrophobicContact CB-SD 3.47Å; V135-M179 WeakPolarHBondContact CB-SD 3.49Å; V135-M179 HydrophobicContact CG1-SD 4.32Å; V135-M179 HydrophobicContact CG2-CE 4.01Å; V135-M179 HydrophobicContact CG2-CG 3.31Å; V135-M179 HydrophobicContact CG2-SD 3.51Å; V135-M179 VanDerWaalsContact CG2-SD 3.51Å; M179-T181 VanDerWaalsContact C-N 3.3Å; M179-T181 PolarHBondContact O-N 3.41Å; M179-L182 PolarHBondContact O-N 3.31Å; M179-R183 PolarHBondContact O-N 2.97Å
180	E	31.3	Very low	30.2	Very low	60 Å²	60	66.1 Å²	66.1	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-32.6	175.1	-68.4	168.1	152.2	0	0	113.3	K127 R178 I184	K127-E180 WeakPolarHBondContact CE-OE1 3.2Å; K127-E180 IonicContact NZ-OE1 2.68Å; K127-E180 PolarHBondContact NZ-OE1 2.99Å; R178-E180 PolarHBondContact O-N 2.75Å; E180-I184 WeakPolarHBondContact O-CD1 3.48Å; E180-I184 WeakPolarHBondContact O-CG1 3.36Å
181	T	31.5	Very low	30.2	Very low	52 Å²	52	70.3 Å²	70.3	32%	0.319	34%	0.34	S	S	.	.	H	α-helix	trans	-85	-31.2	179.5	-43.4	0	0	0	0	112.1	L156 R178 M179	L156-T181 HydrophobicContact CD2-CG2 4.34Å; R178-T181 PolarHBondContact O-N 3.19Å; M179-T181 VanDerWaalsContact C-N 3.3Å; M179-T181 PolarHBondContact O-N 3.41Å
182	L	31.2	Very low	30	Very low	7 Å²	7	71.7 Å²	71.7	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-69.3	-35.8	178.4	-148.1	88.7	0	0	0	112.9	V137 I139 I177 M179 I184 H185 L186	V137-L182 HydrophobicContact CB-CD1 3.58Å; V137-L182 HydrophobicContact CB-CD2 3.74Å; V137-L182 HydrophobicContact CB-CG 4.31Å; V137-L182 HydrophobicContact CG1-CD1 4.1Å; V137-L182 HydrophobicContact CG1-CD2 4.01Å; V137-L182 HydrophobicContact CG2-CD1 4.12Å; V137-L182 HydrophobicContact CG2-CD2 3.43Å; V137-L182 VanDerWaalsContact CG2-CD2 3.43Å; V137-L182 HydrophobicContact CG2-CG 4.43Å; I139-L182 HydrophobicContact CD1-CD1 3.42Å; I139-L182 VanDerWaalsContact CD1-CD1 3.42Å; I139-L182 HydrophobicContact CD1-CG 3.99Å; I139-L182 HydrophobicContact CG1-CD1 4.05Å; I177-L182 HydrophobicContact CB-CD1 4.25Å; I177-L182 HydrophobicContact CD1-CD1 3.19Å; I177-L182 HydrophobicContact CG1-CD1 4.26Å; I177-L182 HydrophobicContact CG2-CB 3.85Å; I177-L182 HydrophobicContact CG2-CD1 3.7Å; I177-L182 HydrophobicContact CG2-CG 4.43Å; M179-L182 PolarHBondContact O-N 3.31Å; L182-I184 VanDerWaalsContact C-N 3.33Å; L182-I184 PolarHBondContact O-N 3.33Å; L182-H185 PolarHBondContact O-N 3.19Å; L182-L186 HydrophobicContact CD2-CD1 3.64Å; L182-L186 HydrophobicContact CG-CD1 3.79Å; L182-L186 PolarHBondContact O-N 2.81Å
183	R	33.6	Very low	29.7	Very low	64 Å²	64	74.9 Å²	74.9	24%	0.242	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.6	-177.4	-87.6	170.6	162.5	170.9	-0.2	114.2	L126 M179 H185	L126-R183 HydrophobicContact CD1-CB 3.99Å; L126-R183 HydrophobicContact CD1-CG 4.18Å; L126-R183 PolarHBondContact O-NH1 3.01Å; M179-R183 PolarHBondContact O-N 2.97Å; R183-H185 VanDerWaalsContact C-N 3.25Å; R183-H185 PolarHBondContact O-N 2.63Å
184	I	30.7	Very low	29.6	Very low	68 Å²	68	73.6 Å²	73.6	35%	0.349	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-21.1	179.3	-51.7	163.3	0	0	0	111.3	F115 Y119 E180 L182	F115-I184 HydrophobicContact CZ-CG2 4.48Å; Y119-I184 HydrophobicContact CD2-CD1 3.53Å; Y119-I184 HydrophobicContact CD2-CG1 3.72Å; Y119-I184 HydrophobicContact CE2-CD1 3.05Å; Y119-I184 HydrophobicContact CE2-CG1 3.52Å; E180-I184 WeakPolarHBondContact O-CD1 3.48Å; E180-I184 WeakPolarHBondContact O-CG1 3.36Å; L182-I184 VanDerWaalsContact C-N 3.33Å; L182-I184 PolarHBondContact O-N 3.33Å
185	H	29.4	Very low	29.3	Very low	80 Å²	80	77.3 Å²	77.3	37%	0.37	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-16.2	-175.6	-76.7	13.1	0	0	0	114.1	F144 L182 R183	F144-H185 AromaticContact CZ-NE2 3.96Å; L182-H185 PolarHBondContact O-N 3.19Å; R183-H185 VanDerWaalsContact C-N 3.25Å; R183-H185 PolarHBondContact O-N 2.63Å
186	L	28.4	Very low	29.5	Very low	13 Å²	13	79.1 Å²	79.1	7%	0.068	40%	0.4	C	S	.	.			trans	-110.9	90.4	178.8	-64.7	173.7	0	0	0	109.5	I139 L182 V188 Y202 L204 I209	I139-L186 HydrophobicContact CD1-CD1 4.24Å; I139-L186 HydrophobicContact CD1-CG 4.45Å; L182-L186 HydrophobicContact CD2-CD1 3.64Å; L182-L186 HydrophobicContact CG-CD1 3.79Å; L182-L186 PolarHBondContact O-N 2.81Å; L186-V188 VanDerWaalsContact C-N 3.28Å; L186-V188 HydrophobicContact CB-CG2 4.29Å; L186-V188 PolarHBondContact O-N 2.68Å; L186-Y202 HydrophobicContact CD1-CD1 4.24Å; L186-L204 HydrophobicContact CD2-CD1 3.59Å; L186-L204 HydrophobicContact CD2-CG 3.86Å; L186-I209 HydrophobicContact CD2-CD1 3.82Å
187	A	27.6	Very low	29.7	Very low	65 Å²	65	76.8 Å²	76.8	54%	0.537	39%	0.393	S	S	.	.			trans	-62.2	94.8	157.8	0	0	0	0	0	107.7	D189 L204	A187-D189 PolarHBondContact O-N 3.49Å; A187-D189 VanDerWaalsContact O-N 3.08Å; A187-L204 HydrophobicContact CB-CD2 4.28Å
188	V	28.5	Very low	29.9	Very low	53 Å²	53	77.9 Å²	77.9	32%	0.321	40%	0.398	S	S	.	.			trans	-76.7	92.8	178.1	-179.5	0	0	0	0	108.3	L186 R190 Y202	L186-V188 VanDerWaalsContact C-N 3.28Å; L186-V188 HydrophobicContact CB-CG2 4.29Å; L186-V188 PolarHBondContact O-N 2.68Å; V188-R190 PolarHBondContact O-N 3.08Å; V188-Y202 HydrophobicContact CG2-CD1 4.43Å
189	D	23.8	Very low	30.1	Very low	78 Å²	78	70.2 Å²	70.2	42%	0.417	37%	0.372	S	S	.	.			trans	-79.9	101.6	168.7	-110	-22.2	0	0	0	108.6	A187 Q205	A187-D189 PolarHBondContact O-N 3.49Å; A187-D189 VanDerWaalsContact O-N 3.08Å; D189-Q205 VanDerWaalsContact OD2-CG 3.29Å; D189-Q205 WeakPolarHBondContact OD2-CG 3.31Å
190	R	25.9	Very low	30.3	Very low	189 Å²	189	68.8 Å²	68.8	71%	0.713	37%	0.367	S	S	*	.			trans	74.5	124.2	171.5	-62.3	-177.9	173	175	0.2	119	V188 I192	V188-R190 PolarHBondContact O-N 3.08Å; R190-I192 HydrophobicContact CB-CG1 4.44Å
191	W	28.7	Very low	30.4	Very low	168 Å²	168	66.6 Å²	66.6	64%	0.636	36%	0.357	S	S	*	.			trans	-87.4	122.8	159.3	-65.5	87.3	0	0	0	108.9	A200	W191-A200 HydrophobicContact CH2-CB 4.29Å; W191-A200 HydrophobicContact CZ3-CB 3.8Å
192	I	26.3	Very low	30.5	Very low	87 Å²	87	65.8 Å²	65.8	45%	0.446	35%	0.348	S	S	.	.			trans	-116.5	131.9	177.7	-62.7	172.4	0	0	0	106.9	R190 F194	R190-I192 HydrophobicContact CB-CG1 4.44Å; I192-F194 HydrophobicContact CB-CD2 4.45Å; I192-F194 HydrophobicContact CB-CE2 3.65Å; I192-F194 HydrophobicContact CB-CZ 3.81Å; I192-F194 HydrophobicContact CG2-CD2 4.5Å; I192-F194 HydrophobicContact CG2-CE1 4.32Å; I192-F194 HydrophobicContact CG2-CE2 3.94Å; I192-F194 HydrophobicContact CG2-CZ 3.83Å; I192-F194 WeakPolarHBondContact O-CD2 3.29Å; I192-F194 WeakPolarHBondContact O-CE2 3.34Å; I192-F194 PolarHBondContact O-N 2.98Å
193	S	28.8	Very low	30.4	Very low	90 Å²	90	70.8 Å²	70.8	63%	0.629	37%	0.367	S	S	*	.			trans	-68.8	124.5	170.5	65.9	0	0	0	0	109
194	F	30.4	Very low	30	Very low	68 Å²	68	70.5 Å²	70.5	30%	0.298	37%	0.37	S	S	.	.			trans	-101.2	139.1	-179.5	-75.9	-84.4	0	0	0	112	I192 T196 L198 L201	I192-F194 HydrophobicContact CB-CD2 4.45Å; I192-F194 HydrophobicContact CB-CE2 3.65Å; I192-F194 HydrophobicContact CB-CZ 3.81Å; I192-F194 HydrophobicContact CG2-CD2 4.5Å; I192-F194 HydrophobicContact CG2-CE1 4.32Å; I192-F194 HydrophobicContact CG2-CE2 3.94Å; I192-F194 HydrophobicContact CG2-CZ 3.83Å; I192-F194 WeakPolarHBondContact O-CD2 3.29Å; I192-F194 WeakPolarHBondContact O-CE2 3.34Å; I192-F194 PolarHBondContact O-N 2.98Å; F194-T196 PolarHBondContact O-N 3.12Å; F194-L198 HydrophobicContact CB-CB 4.39Å; F194-L198 HydrophobicContact CB-CD1 4.25Å; F194-L198 HydrophobicContact CG-CD1 4.32Å; F194-L201 HydrophobicContact CD1-CD1 4.24Å; F194-L201 HydrophobicContact CD2-CB 4.49Å; F194-L201 HydrophobicContact CD2-CD1 3.55Å; F194-L201 HydrophobicContact CE1-CD1 3.92Å; F194-L201 HydrophobicContact CE2-CB 3.91Å; F194-L201 HydrophobicContact CE2-CD1 3.18Å; F194-L201 HydrophobicContact CE2-CG 4.06Å; F194-L201 HydrophobicContact CG-CD1 4.09Å; F194-L201 HydrophobicContact CZ-CD1 3.41Å; F194-L201 VanDerWaalsContact CZ-CD1 3.41Å; F194-L201 HydrophobicContact CZ-CG 4.42Å
195	P	27.5	Very low	29.7	Very low	109 Å²	109	75.2 Å²	75.2	71%	0.708	39%	0.39	S	S	*	.	S	Bend	trans	-68.4	107.3	171.3	27.6	-28.6	0	0	0	108.1
196	T	32.7	Very low	29.5	Very low	99 Å²	99	75.7 Å²	75.7	61%	0.607	42%	0.417	S	S	*	.	S	Bend	trans	71.4	126	169.8	66.2	0	0	0	0	117.2	F194	F194-T196 PolarHBondContact O-N 3.12Å
197	G	32.5	Very low	29.4	Very low	33 Å²	33	76.7 Å²	76.7	34%	0.34	43%	0.43	S	S	.	.	S	Bend	trans	94.8	-14.8	157.8	0	0	0	0	0	118.1	E213 Y214	G197-E213 CarbonylContact O-C 3.58Å; G197-E213 VanDerWaalsContact O-CA 3.28Å; G197-E213 WeakPolarHBondContact O-CA 3.49Å; G197-Y214 WeakPolarHBondContact O-CD2 3.48Å; G197-Y214 PolarHBondContact O-N 3.48Å
198	L	34.9	Very low	29.5	Very low	32 Å²	32	77.6 Å²	77.6	17%	0.168	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.6	-170.6	-62	171.9	0	0	0	112.6	F194 L201 E211 V212 E213	F194-L198 HydrophobicContact CB-CB 4.39Å; F194-L198 HydrophobicContact CB-CD1 4.25Å; F194-L198 HydrophobicContact CG-CD1 4.32Å; L198-L201 HydrophobicContact CD1-CD1 4.05Å; L198-E211 HydrophobicContact CD1-CB 4.28Å; L198-E211 HydrophobicContact CD2-CB 3.86Å; L198-V212 CarbonylContact C-O 3.59Å; L198-V212 VanDerWaalsContact CA-O 3.28Å; L198-V212 WeakPolarHBondContact CA-O 3.26Å; L198-E213 HydrophobicContact CD2-CG 4.09Å
199	C	37	Very low	29.6	Very low	19 Å²	19	78.5 Å²	78.5	13%	0.128	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-18.6	178.3	90.9	0	0	0	0	114.1	V212 Y214 C217	C199-V212 PolarHBondContact N-O 2.83Å; C199-Y214 HydrophobicContact CB-CD1 3.49Å; C199-Y214 VanDerWaalsContact CB-CD1 3.49Å; C199-Y214 HydrophobicContact CB-CE1 3.54Å; C199-Y214 HydrophobicContact CB-CG 4.37Å; C199-C217 HydrophobicContact CB-CB 3.85Å; C199-C217 WeakPolarHBondContact CB-SG 3.38Å; C199-C217 WeakPolarHBondContact SG-CB 3.42Å; C199-C217 CovalentContact SG-SG 2Å; C199-C217 PolarHBondContact SG-SG 2.95Å
200	A	36.3	Very low	30.2	Very low	10 Å²	10	78.9 Å²	78.9	8%	0.083	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	149.3	177	0	0	0	0	0	112.2	W191 Y202 V212	W191-A200 HydrophobicContact CH2-CB 4.29Å; W191-A200 HydrophobicContact CZ3-CB 3.8Å; A200-Y202 HydrophobicContact CB-CE2 4.19Å; A200-V212 HydrophobicContact CB-CB 4.2Å; A200-V212 HydrophobicContact CB-CG2 4.27Å; A200-V212 PolarHBondContact O-N 3.23Å
201	L	32.7	Very low	30.8	Very low	15 Å²	15	75.1 Å²	75.1	8%	0.079	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	120.7	175.2	-129.2	142.7	0	0	0	110	F194 L198 I208 K210 E211	F194-L201 HydrophobicContact CD1-CD1 4.24Å; F194-L201 HydrophobicContact CD2-CB 4.49Å; F194-L201 HydrophobicContact CD2-CD1 3.55Å; F194-L201 HydrophobicContact CE1-CD1 3.92Å; F194-L201 HydrophobicContact CE2-CB 3.91Å; F194-L201 HydrophobicContact CE2-CD1 3.18Å; F194-L201 HydrophobicContact CE2-CG 4.06Å; F194-L201 HydrophobicContact CG-CD1 4.09Å; F194-L201 HydrophobicContact CZ-CD1 3.41Å; F194-L201 VanDerWaalsContact CZ-CD1 3.41Å; F194-L201 HydrophobicContact CZ-CG 4.42Å; L198-L201 HydrophobicContact CD1-CD1 4.05Å; L201-I208 HydrophobicContact CD2-CB 4.39Å; L201-I208 HydrophobicContact CD2-CD1 4.33Å; L201-I208 HydrophobicContact CD2-CG1 4.14Å; L201-I208 HydrophobicContact CD2-CG2 3.53Å; L201-K210 WeakPolarHBondContact CA-O 3.03Å; L201-E211 HydrophobicContact CD1-CB 4.44Å; L201-E211 HydrophobicContact CD1-CG 3.97Å; L201-E211 HydrophobicContact CD2-CG 4.17Å; L201-E211 HydrophobicContact CG-CB 4.42Å; L201-E211 HydrophobicContact CG-CG 4Å
202	Y	34.4	Very low	31.3	Very low	35 Å²	35	68.4 Å²	68.4	14%	0.137	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.9	-179.7	-63.2	-86.4	0	0	0	109.7	L186 V188 A200 I209 K210 V212	L186-Y202 HydrophobicContact CD1-CD1 4.24Å; V188-Y202 HydrophobicContact CG2-CD1 4.43Å; A200-Y202 HydrophobicContact CB-CE2 4.19Å; Y202-I209 WeakPolarHBondContact O-CA 3.36Å; Y202-I209 WeakPolarHBondContact O-CB 3.14Å; Y202-I209 PolarHBondContact O-N 3.48Å; Y202-K210 HydrophobicContact CD2-CB 4.43Å; Y202-K210 PolarHBondContact N-O 3.2Å; Y202-K210 PolarHBondContact O-N 2.77Å; Y202-V212 HydrophobicContact CD2-CG2 4.24Å; Y202-V212 HydrophobicContact CE2-CG2 3.89Å
203	R	27.7	Very low	31.9	Very low	112 Å²	112	70.2 Å²	70.2	42%	0.423	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.1	172.5	-92.8	-173.3	160.3	174	-0.4	110.1	G207 I208	R203-G207 WeakPolarHBondContact CG-O 2.92Å; R203-I208 HydrophobicContact CG-CG1 4.12Å; R203-I208 VanDerWaalsContact NE-CG1 3.26Å
204	L	25.5	Very low	32.4	Very low	58 Å²	58	67.5 Å²	67.5	30%	0.304	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.1	155.9	-95.6	158.8	0	0	0	107.6	L186 A187 G206 G207 I209	L186-L204 HydrophobicContact CD2-CD1 3.59Å; L186-L204 HydrophobicContact CD2-CG 3.86Å; A187-L204 HydrophobicContact CB-CD2 4.28Å; L204-G206 PolarHBondContact O-N 2.75Å; L204-G207 PolarHBondContact N-O 3.48Å; L204-G207 PolarHBondContact O-N 2.98Å; L204-I209 HydrophobicContact CB-CD1 3.58Å; L204-I209 HydrophobicContact CD1-CD1 3.49Å; L204-I209 VanDerWaalsContact CD1-CD1 3.49Å; L204-I209 HydrophobicContact CG-CD1 3.76Å
205	Q	25.8	Very low	32.8	Very low	166 Å²	166	69.3 Å²	69.3	78%	0.776	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.2	106.7	177.2	-89.7	-174	-20.4	0	0	111.5	D189	D189-Q205 VanDerWaalsContact OD2-CG 3.29Å; D189-Q205 WeakPolarHBondContact OD2-CG 3.31Å
206	G	25	Very low	33.2	Very low	91 Å²	91	67.8 Å²	67.8	94%	0.938	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.5	-9	178	0	0	0	0	0	117.6	L204	L204-G206 PolarHBondContact O-N 2.75Å
207	G	25.6	Very low	33.5	Very low	34 Å²	34	64 Å²	64	35%	0.351	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	154.1	178.2	0	0	0	0	0	117.2	R203 L204	R203-G207 WeakPolarHBondContact CG-O 2.92Å; L204-G207 PolarHBondContact N-O 3.48Å; L204-G207 PolarHBondContact O-N 2.98Å
208	I	29	Very low	33.9	Very low	84 Å²	84	66.2 Å²	66.2	43%	0.431	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124	173.2	-62.6	176.3	0	0	0	109	L201 R203 E211	L201-I208 HydrophobicContact CD2-CB 4.39Å; L201-I208 HydrophobicContact CD2-CD1 4.33Å; L201-I208 HydrophobicContact CD2-CG1 4.14Å; L201-I208 HydrophobicContact CD2-CG2 3.53Å; R203-I208 HydrophobicContact CG-CG1 4.12Å; R203-I208 VanDerWaalsContact NE-CG1 3.26Å; I208-E211 HydrophobicContact CG2-CG 4.13Å
209	I	32.1	Very low	34	Very low	71 Å²	71	70.7 Å²	70.7	36%	0.364	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-40.2	179.7	-65.1	-176.6	0	0	0	111.1	L186 Y202 L204	L186-I209 HydrophobicContact CD2-CD1 3.82Å; Y202-I209 WeakPolarHBondContact O-CA 3.36Å; Y202-I209 WeakPolarHBondContact O-CB 3.14Å; Y202-I209 PolarHBondContact O-N 3.48Å; L204-I209 HydrophobicContact CB-CD1 3.58Å; L204-I209 HydrophobicContact CD1-CD1 3.49Å; L204-I209 VanDerWaalsContact CD1-CD1 3.49Å; L204-I209 HydrophobicContact CG-CD1 3.76Å
210	K	36	Very low	34.2	Very low	87 Å²	87	75.3 Å²	75.3	38%	0.378	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	133.8	-178.7	-162.1	168.5	-179.9	-177.1	0	112.6	L201 Y202	L201-K210 WeakPolarHBondContact CA-O 3.03Å; Y202-K210 HydrophobicContact CD2-CB 4.43Å; Y202-K210 PolarHBondContact N-O 3.2Å; Y202-K210 PolarHBondContact O-N 2.77Å
211	E	38.6	Very low	34.5	Very low	109 Å²	109	77.5 Å²	77.5	51%	0.509	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.2	167	-49.5	-172.5	157.2	0	0	107.9	L198 L201 I208	L198-E211 HydrophobicContact CD1-CB 4.28Å; L198-E211 HydrophobicContact CD2-CB 3.86Å; L201-E211 HydrophobicContact CD1-CB 4.44Å; L201-E211 HydrophobicContact CD1-CG 3.97Å; L201-E211 HydrophobicContact CD2-CG 4.17Å; L201-E211 HydrophobicContact CG-CB 4.42Å; L201-E211 HydrophobicContact CG-CG 4Å; I208-E211 HydrophobicContact CG2-CG 4.13Å
212	V	38.3	Very low	34.8	Very low	27 Å²	27	77.8 Å²	77.8	16%	0.164	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.1	179.2	-173.1	0	0	0	0	109.2	L198 C199 A200 Y202 A216	L198-V212 CarbonylContact C-O 3.59Å; L198-V212 VanDerWaalsContact CA-O 3.28Å; L198-V212 WeakPolarHBondContact CA-O 3.26Å; C199-V212 PolarHBondContact N-O 2.83Å; A200-V212 HydrophobicContact CB-CB 4.2Å; A200-V212 HydrophobicContact CB-CG2 4.27Å; A200-V212 PolarHBondContact O-N 3.23Å; Y202-V212 HydrophobicContact CD2-CG2 4.24Å; Y202-V212 HydrophobicContact CE2-CG2 3.89Å; V212-A216 HydrophobicContact CG1-CB 4.21Å
213	E	39.3	Very low	35.1	Very low	125 Å²	125	79.8 Å²	79.8	58%	0.584	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	147.8	176.5	-66.5	-176.7	177.7	0	0	112.1	G197 L198 S215 A216 C217	G197-E213 CarbonylContact O-C 3.58Å; G197-E213 VanDerWaalsContact O-CA 3.28Å; G197-E213 WeakPolarHBondContact O-CA 3.49Å; L198-E213 HydrophobicContact CD2-CG 4.09Å; E213-S215 PolarHBondContact O-N 3.48Å; E213-S215 VanDerWaalsContact O-N 3.09Å; E213-A216 WeakPolarHBondContact O-CB 3.12Å; E213-A216 PolarHBondContact O-N 3.3Å; E213-C217 PolarHBondContact O-SG 3.34Å
214	Y	38.1	Very low	35.7	Very low	33 Å²	33	77.6 Å²	77.6	13%	0.129	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-53.5	-31.3	179.5	-84.4	-56.8	0	0	0	114.7	G197 C199 A216 C217 L222 P240 E241	G197-Y214 WeakPolarHBondContact O-CD2 3.48Å; G197-Y214 PolarHBondContact O-N 3.48Å; C199-Y214 HydrophobicContact CB-CD1 3.49Å; C199-Y214 VanDerWaalsContact CB-CD1 3.49Å; C199-Y214 HydrophobicContact CB-CE1 3.54Å; C199-Y214 HydrophobicContact CB-CG 4.37Å; Y214-A216 PolarHBondContact O-N 2.98Å; Y214-C217 PolarHBondContact O-N 3.29Å; Y214-L222 HydrophobicContact CD1-CD2 3.23Å; Y214-L222 HydrophobicContact CD1-CG 4.1Å; Y214-L222 HydrophobicContact CE1-CD2 3.61Å; Y214-L222 HydrophobicContact CG-CD2 4.17Å; Y214-P240 HydrophobicContact CD2-CG 3.57Å; Y214-P240 HydrophobicContact CE2-CG 3.37Å; Y214-E241 PolarHBondContact OH-OE1 2.85Å
215	S	40.7	Very low	36.3	Very low	106 Å²	106	76 Å²	76	74%	0.741	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-61.9	-21.3	176.9	55.8	0	0	0	0	113.5	E213	E213-S215 PolarHBondContact O-N 3.48Å; E213-S215 VanDerWaalsContact O-N 3.09Å
216	A	35.8	Very low	36.9	Very low	78 Å²	78	68.2 Å²	68.2	65%	0.645	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-102.6	2.9	-177.4	0	0	0	0	0	113.4	V212 E213 Y214	V212-A216 HydrophobicContact CG1-CB 4.21Å; E213-A216 WeakPolarHBondContact O-CB 3.12Å; E213-A216 PolarHBondContact O-N 3.3Å; Y214-A216 PolarHBondContact O-N 2.98Å
217	C	38.5	Very low	37.5	Very low	18 Å²	18	65 Å²	65	12%	0.122	36%	0.364	C	S	.	.	S	Bend	trans	-101.5	137.4	-174.4	-48	0	0	0	0	110.1	C199 E213 Y214 T221 L222	C199-C217 HydrophobicContact CB-CB 3.85Å; C199-C217 WeakPolarHBondContact CB-SG 3.38Å; C199-C217 WeakPolarHBondContact SG-CB 3.42Å; C199-C217 CovalentContact SG-SG 2Å; C199-C217 PolarHBondContact SG-SG 2.95Å; E213-C217 PolarHBondContact O-SG 3.34Å; Y214-C217 PolarHBondContact O-N 3.29Å; C217-T221 HydrophobicContact CB-CG2 4.41Å; C217-L222 HydrophobicContact CB-CD1 4.28Å; C217-L222 HydrophobicContact CB-CG 4.21Å; C217-L222 WeakPolarHBondContact O-CD1 3.02Å
218	D	39.7	Very low	38	Very low	81 Å²	81	68.4 Å²	68.4	43%	0.433	37%	0.374	S	S	.	.			trans	-70.7	158.8	172.5	64.3	29	0	0	0	111.1	K220 T221 L222	D218-K220 PolarHBondContact O-N 3Å; D218-K220 WeakPolarHBondContact OD1-CB 3.22Å; D218-K220 PolarHBondContact OD1-N 3.02Å; D218-T221 PolarHBondContact O-N 3.29Å; D218-T221 VanDerWaalsContact OD1-CB 3.24Å; D218-T221 WeakPolarHBondContact OD1-CB 3.15Å; D218-T221 PolarHBondContact OD1-N 3.18Å; D218-T221 PolarHBondContact OD1-OG1 3.27Å; D218-L222 PolarHBondContact O-N 3.34Å
219	D	38.6	Very low	38.3	Very low	125 Å²	125	65.2 Å²	65.2	67%	0.668	36%	0.359	S	S	*	.	H	α-helix	trans	-53.5	-33.6	-178.4	-71.7	-23.9	0	0	0	111.8	L222 W223	D219-L222 PolarHBondContact O-N 2.97Å; D219-W223 WeakPolarHBondContact O-CB 3.4Å; D219-W223 PolarHBondContact O-N 3.05Å
220	K	41.5	Very low	38.5	Very low	117 Å²	117	65.5 Å²	65.5	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-69	-39	-177.7	-160	176.5	-179	-177.9	0	112	E133 D218 S224	E133-K220 IonicContact OE1-NZ 2.88Å; E133-K220 PolarHBondContact OE1-NZ 3.18Å; E133-K220 WeakPolarHBondContact OE2-CD 3.36Å; E133-K220 IonicContact OE2-NZ 2.64Å; E133-K220 PolarHBondContact OE2-NZ 3.46Å; D218-K220 PolarHBondContact O-N 3Å; D218-K220 WeakPolarHBondContact OD1-CB 3.22Å; D218-K220 PolarHBondContact OD1-N 3.02Å; K220-S224 PolarHBondContact O-N 3.02Å; K220-S224 VanDerWaalsContact O-N 3.08Å; K220-S224 PolarHBondContact O-OG 3.4Å
221	T	41.4	Very low	38.3	Very low	56 Å²	56	65.5 Å²	65.5	34%	0.344	37%	0.369	S	S	.	.	H	α-helix	trans	-70.8	-42.1	175.9	-54.4	0	0	0	0	110.8	C217 D218 S224 A225	C217-T221 HydrophobicContact CB-CG2 4.41Å; D218-T221 PolarHBondContact O-N 3.29Å; D218-T221 VanDerWaalsContact OD1-CB 3.24Å; D218-T221 WeakPolarHBondContact OD1-CB 3.15Å; D218-T221 PolarHBondContact OD1-N 3.18Å; D218-T221 PolarHBondContact OD1-OG1 3.27Å; T221-S224 PolarHBondContact O-N 3.43Å; T221-A225 PolarHBondContact O-N 3.39Å; T221-A225 VanDerWaalsContact O-N 3.14Å
222	L	38.3	Very low	37.9	Very low	20 Å²	20	63.2 Å²	63.2	11%	0.105	36%	0.36	C	S	.	.	H	α-helix	trans	-60	-45.6	173.1	-86.5	150	0	0	0	112.4	Y214 C217 D218 D219 S224 A225 V226 L244	Y214-L222 HydrophobicContact CD1-CD2 3.23Å; Y214-L222 HydrophobicContact CD1-CG 4.1Å; Y214-L222 HydrophobicContact CE1-CD2 3.61Å; Y214-L222 HydrophobicContact CG-CD2 4.17Å; C217-L222 HydrophobicContact CB-CD1 4.28Å; C217-L222 HydrophobicContact CB-CG 4.21Å; C217-L222 WeakPolarHBondContact O-CD1 3.02Å; D218-L222 PolarHBondContact O-N 3.34Å; D219-L222 PolarHBondContact O-N 2.97Å; L222-S224 PolarHBondContact O-N 3.17Å; L222-A225 WeakPolarHBondContact O-CB 3.04Å; L222-A225 PolarHBondContact O-N 3.25Å; L222-V226 WeakPolarHBondContact O-CG2 2.97Å; L222-V226 PolarHBondContact O-N 3.17Å; L222-L244 HydrophobicContact CD2-CD1 3.57Å
223	W	41.1	Very low	37.6	Very low	78 Å²	78	73.9 Å²	73.9	30%	0.295	40%	0.398	S	S	.	.	H	α-helix	trans	-67.6	-33.7	177.7	-84.9	112.8	0	0	0	113.3	D219 A225 V226 A227 R248	D219-W223 WeakPolarHBondContact O-CB 3.4Å; D219-W223 PolarHBondContact O-N 3.05Å; W223-A225 VanDerWaalsContact C-N 3.34Å; W223-V226 HydrophobicContact CE3-CB 4.32Å; W223-V226 HydrophobicContact CE3-CG1 4.27Å; W223-V226 HydrophobicContact CZ3-CG1 4.14Å; W223-V226 PolarHBondContact O-N 3.27Å; W223-A227 VanDerWaalsContact O-CB 3.29Å; W223-A227 WeakPolarHBondContact O-CB 3.35Å; W223-A227 PolarHBondContact O-N 3.46Å; W223-R248 HydrophobicContact CH2-CB 3.71Å; W223-R248 HydrophobicContact CH2-CG 3.55Å; W223-R248 HydrophobicContact CZ3-CB 4.36Å; W223-R248 HydrophobicContact CZ3-CG 3.95Å
224	S	40.2	Very low	37.1	Very low	66 Å²	66	73.8 Å²	73.8	46%	0.462	41%	0.406	S	S	.	.	H	α-helix	trans	-65.1	-39.7	174.2	-59.3	0	0	0	0	111.2	K220 T221 L222 A227 L228	K220-S224 PolarHBondContact O-N 3.02Å; K220-S224 VanDerWaalsContact O-N 3.08Å; K220-S224 PolarHBondContact O-OG 3.4Å; T221-S224 PolarHBondContact O-N 3.43Å; L222-S224 PolarHBondContact O-N 3.17Å; S224-A227 PolarHBondContact O-N 2.71Å; S224-L228 WeakPolarHBondContact O-CB 3.09Å; S224-L228 WeakPolarHBondContact O-CD1 3.48Å; S224-L228 PolarHBondContact O-N 2.87Å
225	A	39.5	Very low	36.8	Very low	25 Å²	25	75.9 Å²	75.9	21%	0.207	42%	0.419	C	S	.	.	H	α-helix	trans	-65.1	-41.2	174.2	0	0	0	0	0	112.5	T221 L222 W223 C229	T221-A225 PolarHBondContact O-N 3.39Å; T221-A225 VanDerWaalsContact O-N 3.14Å; L222-A225 WeakPolarHBondContact O-CB 3.04Å; L222-A225 PolarHBondContact O-N 3.25Å; W223-A225 VanDerWaalsContact C-N 3.34Å; A225-C229 WeakPolarHBondContact O-CB 3.43Å; A225-C229 PolarHBondContact O-N 2.75Å
226	V	38.2	Very low	36.4	Very low	1 Å²	1	80.1 Å²	80.1	1%	0.006	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-42.5	174.8	173.6	0	0	0	0	111.8	L222 W223 C229 E230 E241 L244 Q245	L222-V226 WeakPolarHBondContact O-CG2 2.97Å; L222-V226 PolarHBondContact O-N 3.17Å; W223-V226 HydrophobicContact CE3-CB 4.32Å; W223-V226 HydrophobicContact CE3-CG1 4.27Å; W223-V226 HydrophobicContact CZ3-CG1 4.14Å; W223-V226 PolarHBondContact O-N 3.27Å; V226-C229 WeakPolarHBondContact O-CB 3.32Å; V226-C229 PolarHBondContact O-N 3.23Å; V226-E230 PolarHBondContact O-N 3.41Å; V226-E241 HydrophobicContact CG2-CB 4.22Å; V226-E241 HydrophobicContact CG2-CG 4.41Å; V226-L244 HydrophobicContact CG2-CB 3.79Å; V226-L244 HydrophobicContact CG2-CD1 4.09Å; V226-L244 HydrophobicContact CG2-CG 4.49Å; V226-Q245 HydrophobicContact CG1-CG 4.2Å
227	A	36.8	Very low	36.3	Very low	24 Å²	24	77.5 Å²	77.5	20%	0.198	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-40.6	178.7	0	0	0	0	0	112.3	W223 S224 C229 E230 S231 F267	W223-A227 VanDerWaalsContact O-CB 3.29Å; W223-A227 WeakPolarHBondContact O-CB 3.35Å; W223-A227 PolarHBondContact O-N 3.46Å; S224-A227 PolarHBondContact O-N 2.71Å; A227-C229 VanDerWaalsContact C-N 3.35Å; A227-E230 PolarHBondContact O-N 3.29Å; A227-S231 WeakPolarHBondContact O-CB 3.47Å; A227-S231 PolarHBondContact O-N 3.04Å; A227-S231 PolarHBondContact O-OG 3.35Å; A227-F267 HydrophobicContact CB-CE1 3.66Å; A227-F267 HydrophobicContact CB-CZ 3.89Å
228	L	35.6	Very low	36	Very low	106 Å²	106	79.7 Å²	79.7	56%	0.555	42%	0.42	S	S	*	.	H	α-helix	trans	-61.7	-44.4	172.9	-91	152.4	0	0	0	111.3	S224 E230 S231 D232	S224-L228 WeakPolarHBondContact O-CB 3.09Å; S224-L228 WeakPolarHBondContact O-CD1 3.48Å; S224-L228 PolarHBondContact O-N 2.87Å; L228-E230 VanDerWaalsContact C-N 3.31Å; L228-E230 PolarHBondContact O-N 3.4Å; L228-S231 PolarHBondContact O-N 3.22Å; L228-S231 PolarHBondContact O-OG 3.09Å; L228-D232 PolarHBondContact O-N 3.34Å
229	C	36.1	Very low	35.8	Very low	17 Å²	17	77.6 Å²	77.6	12%	0.115	42%	0.417	C	S	.	.	H	α-helix	trans	-62.8	-32.9	176.8	-167.4	0	0	0	0	113.6	A225 V226 A227 C237	A225-C229 WeakPolarHBondContact O-CB 3.43Å; A225-C229 PolarHBondContact O-N 2.75Å; V226-C229 WeakPolarHBondContact O-CB 3.32Å; V226-C229 PolarHBondContact O-N 3.23Å; A227-C229 VanDerWaalsContact C-N 3.35Å; C229-C237 VanDerWaalsContact C-SG 3.59Å; C229-C237 HydrophobicContact CB-CB 4.38Å; C229-C237 WeakPolarHBondContact CB-SG 3.46Å; C229-C237 WeakPolarHBondContact SG-CA 3.41Å; C229-C237 WeakPolarHBondContact SG-CB 3.29Å; C229-C237 CovalentContact SG-SG 2.04Å; C229-C237 PolarHBondContact SG-SG 3.01Å
230	E	35.4	Very low	35.6	Very low	77 Å²	77	74.1 Å²	74.1	36%	0.36	40%	0.402	S	S	.	.	H	α-helix	trans	-79.9	-29.4	174.8	-75.7	-176.4	172.8	0	0	114	V226 A227 L228 Q245 R248	V226-E230 PolarHBondContact O-N 3.41Å; A227-E230 PolarHBondContact O-N 3.29Å; L228-E230 VanDerWaalsContact C-N 3.31Å; L228-E230 PolarHBondContact O-N 3.4Å; E230-Q245 WeakPolarHBondContact OE1-CG 3.15Å; E230-Q245 PolarHBondContact OE1-NE2 2.69Å; E230-R248 IonicContact OE1-NH1 3.74Å; E230-R248 PolarHBondContact OE1-NH1 2.89Å; E230-R248 IonicContact OE2-CZ 3.64Å; E230-R248 IonicContact OE2-NH1 3Å; E230-R248 PolarHBondContact OE2-NH1 2.7Å
231	S	32.7	Very low	35.4	Very low	87 Å²	87	69.8 Å²	69.8	61%	0.608	38%	0.383	S	S	*	.	H	α-helix	trans	-73.9	-29	-178	68.7	0	0	0	0	113	A227 L228 R233	A227-S231 WeakPolarHBondContact O-CB 3.47Å; A227-S231 PolarHBondContact O-N 3.04Å; A227-S231 PolarHBondContact O-OG 3.35Å; L228-S231 PolarHBondContact O-N 3.22Å; L228-S231 PolarHBondContact O-OG 3.09Å; S231-R233 PolarHBondContact O-N 3.35Å
232	D	31.2	Very low	35.3	Very low	60 Å²	60	73.7 Å²	73.7	32%	0.321	40%	0.396	S	S	.	.			trans	-91.2	100.6	179.1	-163.8	-27.6	0	0	0	110.3	L228 T234 L235	L228-D232 PolarHBondContact O-N 3.34Å; D232-T234 PolarHBondContact O-N 2.77Å; D232-T234 PolarHBondContact OD1-N 2.8Å; D232-T234 VanDerWaalsContact OD1-N 3.14Å; D232-T234 PolarHBondContact OD1-OG1 3.48Å; D232-L235 HydrophobicContact CB-CB 4.31Å; D232-L235 HydrophobicContact CB-CD1 4.14Å; D232-L235 PolarHBondContact O-N 2.89Å; D232-L235 VanDerWaalsContact O-N 3.12Å; D232-L235 WeakPolarHBondContact OD2-CD1 3.39Å
233	R	31.3	Very low	35.1	Very low	252 Å²	252	74.3 Å²	74.3	95%	0.951	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-16.1	-179.1	-78.3	-175.6	172.9	-180	-0.7	113.9	S231	S231-R233 PolarHBondContact O-N 3.35Å
234	T	29.7	Very low	35	Very low	122 Å²	122	72.3 Å²	72.3	75%	0.748	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-21.6	-178	66.5	0	0	0	0	113.6	D232	D232-T234 PolarHBondContact O-N 2.77Å; D232-T234 PolarHBondContact OD1-N 2.8Å; D232-T234 VanDerWaalsContact OD1-N 3.14Å; D232-T234 PolarHBondContact OD1-OG1 3.48Å
235	L	30.8	Very low	34.9	Very low	78 Å²	78	72.2 Å²	72.2	41%	0.408	39%	0.394	S	S	.	.			trans	-94.2	105	-179.3	-83.4	157.2	0	0	0	110.2	D232 C237	D232-L235 HydrophobicContact CB-CB 4.31Å; D232-L235 HydrophobicContact CB-CD1 4.14Å; D232-L235 PolarHBondContact O-N 2.89Å; D232-L235 VanDerWaalsContact O-N 3.12Å; D232-L235 WeakPolarHBondContact OD2-CD1 3.39Å; L235-C237 PolarHBondContact O-N 2.94Å
236	K	32.1	Very low	34.8	Very low	195 Å²	195	74 Å²	74	85%	0.848	41%	0.405	S	S	*	.			trans	-69	115.8	166	-74.9	-177.7	179.2	176	0	108.3	A238	K236-A238 PolarHBondContact O-N 3.27Å; K236-A238 VanDerWaalsContact O-N 3.14Å
237	C	34.3	Very low	34.6	Very low	23 Å²	23	79.4 Å²	79.4	16%	0.155	43%	0.43	C	S	.	.			trans	-51.7	121	173.3	-59.1	0	0	0	0	111.3	C229 L235 E241	C229-C237 VanDerWaalsContact C-SG 3.59Å; C229-C237 HydrophobicContact CB-CB 4.38Å; C229-C237 WeakPolarHBondContact CB-SG 3.46Å; C229-C237 WeakPolarHBondContact SG-CA 3.41Å; C229-C237 WeakPolarHBondContact SG-CB 3.29Å; C229-C237 CovalentContact SG-SG 2.04Å; C229-C237 PolarHBondContact SG-SG 3.01Å; L235-C237 PolarHBondContact O-N 2.94Å; C237-E241 HydrophobicContact CB-CB 4.25Å
238	A	32.2	Very low	34.5	Very low	63 Å²	63	81.3 Å²	81.3	52%	0.521	43%	0.432	S	S	.	.			trans	-128	122.2	-171.3	0	0	0	0	0	109.3	K236	K236-A238 PolarHBondContact O-N 3.27Å; K236-A238 VanDerWaalsContact O-N 3.14Å
239	G	35.7	Very low	34.4	Very low	37 Å²	37	85.1 Å²	85.1	38%	0.381	44%	0.444	S	S	.	.	S	Bend	trans	94.4	-147.9	-176.9	0	0	0	0	0	113.1	E241 K242	G239-E241 VanDerWaalsContact C-N 3.26Å; G239-E241 PolarHBondContact O-N 2.02Å; G239-K242 WeakPolarHBondContact O-CB 3.36Å; G239-K242 PolarHBondContact O-N 3.36Å; G239-K242 VanDerWaalsContact O-N 3.07Å
240	P	33	Very low	34.1	Very low	53 Å²	53	92.4 Å²	92.4	34%	0.344	47%	0.474	S	S	.	.	H	α-helix	trans	-64.9	-20	-167.8	24.3	-33	0	0	0	114.9	Y214 K242 G243 L244	Y214-P240 HydrophobicContact CD2-CG 3.57Å; Y214-P240 HydrophobicContact CE2-CG 3.37Å; P240-K242 PolarHBondContact O-N 3.44Å; P240-G243 CarbonylContact O-C 3.33Å; P240-G243 WeakPolarHBondContact O-CA 3.38Å; P240-G243 PolarHBondContact O-N 3.3Å; P240-L244 PolarHBondContact O-N 3.23Å
241	E	37.8	Very low	33.7	Very low	25 Å²	25	95.4 Å²	95.4	12%	0.117	49%	0.486	C	S	.	.	H	α-helix	trans	-59.6	-33.9	171.4	-60.3	119.5	-147.4	0	0	112.2	Y214 V226 C237 G239 G243 L244 Q245	Y214-E241 PolarHBondContact OH-OE1 2.85Å; V226-E241 HydrophobicContact CG2-CB 4.22Å; V226-E241 HydrophobicContact CG2-CG 4.41Å; C237-E241 HydrophobicContact CB-CB 4.25Å; G239-E241 VanDerWaalsContact C-N 3.26Å; G239-E241 PolarHBondContact O-N 2.02Å; E241-G243 VanDerWaalsContact C-N 3.32Å; E241-L244 PolarHBondContact O-N 3.41Å; E241-Q245 PolarHBondContact O-N 3.06Å
242	K	39.3	Very low	33.4	Very low	139 Å²	139	93.9 Å²	93.9	60%	0.604	47%	0.474	S	S	*	.	H	α-helix	trans	-69.2	-32.6	174.1	-158.1	178.1	-176.1	-178.8	0	111.6	G239 P240 Q245 S246	G239-K242 WeakPolarHBondContact O-CB 3.36Å; G239-K242 PolarHBondContact O-N 3.36Å; G239-K242 VanDerWaalsContact O-N 3.07Å; P240-K242 PolarHBondContact O-N 3.44Å; K242-Q245 WeakPolarHBondContact O-CB 3.43Å; K242-S246 PolarHBondContact O-N 3.15Å; K242-S246 PolarHBondContact O-OG 3.15Å; K242-S246 VanDerWaalsContact O-OG 3.07Å
243	G	35	Very low	33.2	Very low	32 Å²	32	96.7 Å²	96.7	33%	0.33	50%	0.499	S	S	.	.	H	α-helix	trans	-68.6	-41.2	172.3	0	0	0	0	0	112.8	P240 E241 S246 H247	P240-G243 CarbonylContact O-C 3.33Å; P240-G243 WeakPolarHBondContact O-CA 3.38Å; P240-G243 PolarHBondContact O-N 3.3Å; E241-G243 VanDerWaalsContact C-N 3.32Å; G243-S246 VanDerWaalsContact C-OG 3.29Å; G243-S246 VanDerWaalsContact CA-OG 3.3Å; G243-S246 WeakPolarHBondContact CA-OG 3.32Å; G243-S246 PolarHBondContact O-N 3.46Å; G243-S246 PolarHBondContact O-OG 2.9Å; G243-H247 PolarHBondContact O-N 3.47Å; G243-H247 VanDerWaalsContact O-N 3.07Å
244	L	37.8	Very low	32.9	Very low	37 Å²	37	87.7 Å²	87.7	19%	0.194	47%	0.471	C	S	.	.	H	α-helix	trans	-66.3	-38.1	173.2	-78.7	145.9	0	0	0	112.2	L222 V226 P240 E241 S246 H247 R248	L222-L244 HydrophobicContact CD2-CD1 3.57Å; V226-L244 HydrophobicContact CG2-CB 3.79Å; V226-L244 HydrophobicContact CG2-CD1 4.09Å; V226-L244 HydrophobicContact CG2-CG 4.49Å; P240-L244 PolarHBondContact O-N 3.23Å; E241-L244 PolarHBondContact O-N 3.41Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 2.86Å; L244-H247 CarbonylContact O-C 3.53Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.46Å; L244-H247 VanDerWaalsContact O-N 3.12Å; L244-R248 PolarHBondContact O-N 3.1Å
245	Q	38.9	Very low	32.7	Very low	63 Å²	63	90.2 Å²	90.2	29%	0.294	48%	0.475	S	S	.	.	H	α-helix	trans	-58	-41.8	169.7	-92.1	-172.4	-23.7	0	0	112.7	V226 E230 E241 K242 H247 R248	V226-Q245 HydrophobicContact CG1-CG 4.2Å; E230-Q245 WeakPolarHBondContact OE1-CG 3.15Å; E230-Q245 PolarHBondContact OE1-NE2 2.69Å; E241-Q245 PolarHBondContact O-N 3.06Å; K242-Q245 WeakPolarHBondContact O-CB 3.43Å; Q245-H247 VanDerWaalsContact C-N 3.34Å; Q245-R248 WeakPolarHBondContact O-CB 2.94Å; Q245-R248 PolarHBondContact O-N 2.78Å
246	S	36.9	Very low	32.4	Very low	63 Å²	63	89 Å²	89	44%	0.441	47%	0.472	S	S	.	.	H	α-helix	trans	-67	-33.3	173.8	28.7	0	0	0	0	112.9	K242 G243 L244 R248 K249	K242-S246 PolarHBondContact O-N 3.15Å; K242-S246 PolarHBondContact O-OG 3.15Å; K242-S246 VanDerWaalsContact O-OG 3.07Å; G243-S246 VanDerWaalsContact C-OG 3.29Å; G243-S246 VanDerWaalsContact CA-OG 3.3Å; G243-S246 WeakPolarHBondContact CA-OG 3.32Å; G243-S246 PolarHBondContact O-N 3.46Å; G243-S246 PolarHBondContact O-OG 2.9Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 2.86Å; S246-R248 VanDerWaalsContact C-N 3.31Å; S246-K249 PolarHBondContact O-N 3.13Å
247	H	34.5	Very low	32.1	Very low	114 Å²	114	85.7 Å²	85.7	53%	0.528	47%	0.474	S	S	.	.	H	α-helix	trans	-68.7	-27.2	172.1	-95.8	-68.5	0	0	0	113.2	G243 L244 Q245 K249 F250 F251	G243-H247 PolarHBondContact O-N 3.47Å; G243-H247 VanDerWaalsContact O-N 3.07Å; L244-H247 CarbonylContact O-C 3.53Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.46Å; L244-H247 VanDerWaalsContact O-N 3.12Å; Q245-H247 VanDerWaalsContact C-N 3.34Å; H247-K249 PolarHBondContact O-N 3.01Å; H247-F250 PolarHBondContact O-N 3.31Å; H247-F251 PolarHBondContact O-N 3.3Å
248	R	33.8	Very low	31.7	Very low	64 Å²	64	87.3 Å²	87.3	24%	0.242	49%	0.485	C	S	.	.	H	α-helix	trans	-57.3	-29.8	172.4	-155.9	176.2	-175.7	-172.2	1.4	113.1	W223 E230 L244 Q245 S246 F250 F251	W223-R248 HydrophobicContact CH2-CB 3.71Å; W223-R248 HydrophobicContact CH2-CG 3.55Å; W223-R248 HydrophobicContact CZ3-CB 4.36Å; W223-R248 HydrophobicContact CZ3-CG 3.95Å; E230-R248 IonicContact OE1-NH1 3.74Å; E230-R248 PolarHBondContact OE1-NH1 2.89Å; E230-R248 IonicContact OE2-CZ 3.64Å; E230-R248 IonicContact OE2-NH1 3Å; E230-R248 PolarHBondContact OE2-NH1 2.7Å; L244-R248 PolarHBondContact O-N 3.1Å; Q245-R248 WeakPolarHBondContact O-CB 2.94Å; Q245-R248 PolarHBondContact O-N 2.78Å; S246-R248 VanDerWaalsContact C-N 3.31Å; R248-F250 PolarHBondContact O-N 3.25Å; R248-F251 PolarHBondContact O-N 3.32Å; R248-F251 VanDerWaalsContact O-O 3.14Å
249	K	33.4	Very low	31.5	Very low	187 Å²	187	87.3 Å²	87.3	81%	0.813	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.1	174.4	-71.4	-174.4	176.8	-179.5	0	113.3	S246 H247	S246-K249 PolarHBondContact O-N 3.13Å; H247-K249 PolarHBondContact O-N 3.01Å
250	F	30.1	Very low	31	Very low	170 Å²	170	94.8 Å²	94.8	75%	0.746	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-14.1	-178.9	-67.9	-81.6	0	0	0	113.1	H247 R248	H247-F250 PolarHBondContact O-N 3.31Å; R248-F250 PolarHBondContact O-N 3.25Å
251	F	26.6	Very low	30.7	Very low	139 Å²	139	95.2 Å²	95.2	61%	0.61	51%	0.512	S	S	*	.	S	Bend	trans	-88.7	118.4	169.9	-87.7	-90.8	0	0	0	109.6	H247 R248	H247-F251 PolarHBondContact O-N 3.3Å; R248-F251 PolarHBondContact O-N 3.32Å; R248-F251 VanDerWaalsContact O-O 3.14Å
252	P	26.1	Very low	30.3	Very low	55 Å²	55	101 Å²	101	36%	0.357	54%	0.544	S	S	.	.			trans	-61.5	152.9	169.3	28.6	-31.7	0	0	0	108.5	V254 W307	P252-V254 HydrophobicContact CB-CG2 4.25Å; P252-V254 HydrophobicContact CG-CG2 3.99Å; P252-V254 WeakPolarHBondContact O-CG2 3.41Å; P252-V254 PolarHBondContact O-N 3.39Å; P252-W307 HydrophobicContact CB-CH2 3.22Å; P252-W307 HydrophobicContact CB-CZ2 3.34Å; P252-W307 HydrophobicContact CB-CZ3 4.5Å; P252-W307 HydrophobicContact CG-CH2 3.18Å; P252-W307 HydrophobicContact CG-CZ2 3.45Å; P252-W307 VanDerWaalsContact CG-CZ2 3.45Å; P252-W307 HydrophobicContact CG-CZ3 4.41Å
253	S	27.6	Very low	29.7	Very low	120 Å²	120	96.5 Å²	96.5	84%	0.839	54%	0.537	S	S	*	.	S	Bend	trans	-58.2	36.6	-169.5	54.6	0	0	0	0	117.3	Q255	S253-Q255 PolarHBondContact O-N 2.88Å
254	V	24.9	Very low	29.3	Very low	62 Å²	62	103.8 Å²	103.8	38%	0.376	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.5	88.1	-172.5	-163.7	0	0	0	0	107.8	P252 W307	P252-V254 HydrophobicContact CB-CG2 4.25Å; P252-V254 HydrophobicContact CG-CG2 3.99Å; P252-V254 WeakPolarHBondContact O-CG2 3.41Å; P252-V254 PolarHBondContact O-N 3.39Å; V254-W307 HydrophobicContact CG2-CH2 3.94Å; V254-W307 HydrophobicContact CG2-CZ3 4.03Å
255	Q	25.9	Very low	28.9	Very low	175 Å²	175	102.9 Å²	102.9	82%	0.818	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	163.5	21.8	152.5	-90.1	175.6	13.5	0	0	114.2	S253 S257	S253-Q255 PolarHBondContact O-N 2.88Å; Q255-S257 VanDerWaalsContact C-N 3.33Å; Q255-S257 PolarHBondContact O-N 2.71Å; Q255-S257 VanDerWaalsContact O-N 3.14Å
256	C	24.9	Very low	28.3	Very low	54 Å²	54	105.7 Å²	105.7	37%	0.365	58%	0.583	S	S	.	*			trans	-84.8	75.9	164.7	-69.7	0	0	0	0	110.5	S258 F267	C256-S258 PolarHBondContact O-N 3.45Å; C256-F267 WeakPolarHBondContact SG-CB 3.38Å; C256-F267 PolarHBondContact SG-O 3.39Å; C256-F267 VanDerWaalsContact SG-O 3.33Å
257	S	24.5	Very low	27.9	Very low	125 Å²	125	107.1 Å²	107.1	87%	0.874	58%	0.582	S	S	*	*			trans	-80.9	8.6	169.2	49	0	0	0	0	113.1	Q255	Q255-S257 VanDerWaalsContact C-N 3.33Å; Q255-S257 PolarHBondContact O-N 2.71Å; Q255-S257 VanDerWaalsContact O-N 3.14Å
258	S	26.7	Very low	27.7	Very low	57 Å²	57	103.4 Å²	103.4	40%	0.399	57%	0.568	S	S	.	*			trans	-133.2	45.1	-176.8	58.4	0	0	0	0	113.1	C256	C256-S258 PolarHBondContact O-N 3.45Å
259	C	27.7	Very low	27.3	Very low	62 Å²	62	107.4 Å²	107.4	42%	0.419	59%	0.594	S	S	.	*			trans	-89.5	105.5	156.4	-51.9	0	0	0	0	106.6	C268	C259-C268 WeakPolarHBondContact CB-SG 3.14Å; C259-C268 WeakPolarHBondContact SG-CB 3.26Å; C259-C268 CovalentContact SG-SG 2.08Å; C259-C268 PolarHBondContact SG-SG 3.49Å
260	Y	26.3	Very low	27	Very low	195 Å²	195	104.5 Å²	104.5	77%	0.765	60%	0.596	S	S	*	*	B	Isolated β-bridge	trans	-70.2	163.2	165.2	-83.8	-90.6	0	0	0	109.1	D262 G263	Y260-D262 PolarHBondContact O-N 2.74Å; Y260-G263 PolarHBondContact O-N 3.45Å; Y260-G263 VanDerWaalsContact O-N 3.11Å
261	G	25	Very low	26.7	Very low	61 Å²	61	99.3 Å²	99.3	63%	0.629	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-38.6	134.7	178.3	0	0	0	0	0	111.9
262	D	30.1	Very low	26.6	Very low	147 Å²	147	101 Å²	101	79%	0.786	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.4	8.7	-171.7	-51.2	-28.3	0	0	0	117.4	Y260 K264	Y260-D262 PolarHBondContact O-N 2.74Å; D262-K264 PolarHBondContact O-N 3.12Å; D262-K264 VanDerWaalsContact O-N 3.12Å
263	G	27.5	Very low	26.6	Very low	44 Å²	44	105 Å²	105	45%	0.454	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	68	18.3	165.7	0	0	0	0	0	114.4	Y260 C268	Y260-G263 PolarHBondContact O-N 3.45Å; Y260-G263 VanDerWaalsContact O-N 3.11Å; G263-C268 VanDerWaalsContact O-CB 3.32Å; G263-C268 WeakPolarHBondContact O-CB 3.2Å
264	K	26.5	Very low	26.3	Very low	185 Å²	185	109.7 Å²	109.7	80%	0.804	63%	0.63	S	S	*	*	B	Isolated β-bridge	trans	-102.5	107.3	175.6	-70.1	-178.8	-177.3	172.7	0	109.8	D262	D262-K264 PolarHBondContact O-N 3.12Å; D262-K264 VanDerWaalsContact O-N 3.12Å
265	G	28.3	Very low	26.3	Very low	19 Å²	19	113.8 Å²	113.8	20%	0.196	65%	0.648	C	S	.	*	S	Bend	trans	-148	156.6	167.5	0	0	0	0	0	108.6	F267 C268	G265-F267 PolarHBondContact O-N 2.88Å; G265-C268 PolarHBondContact O-N 3.47Å
266	P	27	Very low	26.1	Very low	122 Å²	122	110.3 Å²	110.3	79%	0.792	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-7.8	-171.9	22.9	-32.2	0	0	0	114.5
267	F	29	Very low	26.1	Very low	93 Å²	93	111.7 Å²	111.7	41%	0.408	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.2	-1.6	176.7	-59.9	-77.9	0	0	0	114	A227 C256 G265 L269	A227-F267 HydrophobicContact CB-CE1 3.66Å; A227-F267 HydrophobicContact CB-CZ 3.89Å; C256-F267 WeakPolarHBondContact SG-CB 3.38Å; C256-F267 PolarHBondContact SG-O 3.39Å; C256-F267 VanDerWaalsContact SG-O 3.33Å; G265-F267 PolarHBondContact O-N 2.88Å; F267-L269 PolarHBondContact O-N 3.18Å
268	C	30.1	Very low	26	Very low	35 Å²	35	112 Å²	112	24%	0.236	65%	0.651	C	S	.	*			trans	-91	89.4	179.2	-38.5	0	0	0	0	107.8	C259 G263 G265	C259-C268 WeakPolarHBondContact CB-SG 3.14Å; C259-C268 WeakPolarHBondContact SG-CB 3.26Å; C259-C268 CovalentContact SG-SG 2.08Å; C259-C268 PolarHBondContact SG-SG 3.49Å; G263-C268 VanDerWaalsContact O-CB 3.32Å; G263-C268 WeakPolarHBondContact O-CB 3.2Å; G265-C268 PolarHBondContact O-N 3.47Å
269	L	25.6	Very low	26	Very low	149 Å²	149	116.5 Å²	116.5	78%	0.78	67%	0.671	S	S	*	*			trans	-69.3	128.2	177	-83	162.4	0	0	0	110.7	F267	F267-L269 PolarHBondContact O-N 3.18Å
270	S	26.1	Very low	26	Very low	125 Å²	125	120.9 Å²	120.9	87%	0.874	70%	0.695	S	S	*	*			trans	-68.5	129	-174.1	56.8	0	0	0	0	113.6
271	G	24.6	Very low	26.3	Very low	62 Å²	62	120.3 Å²	120.3	64%	0.639	70%	0.699	S	S	*	*			trans	-130.4	132	156.8	0	0	0	0	0	108.9	L273	G271-L273 PolarHBondContact O-N 2.82Å
272	N	24.1	Very low	26.8	Very low	174 Å²	174	125 Å²	125	93%	0.93	71%	0.705	S	S	*	*			trans	-40.6	98.4	-178.1	-73.9	-33.6	0	0	0	114.1
273	L	26	Very low	27.2	Very low	139 Å²	139	123.9 Å²	123.9	73%	0.728	70%	0.695	S	S	*	*			trans	-143.6	96.5	163.4	-97.5	131.5	0	0	0	108.5	G271 L275	G271-L273 PolarHBondContact O-N 2.82Å; L273-L275 HydrophobicContact CB-CD1 4.49Å; L273-L275 HydrophobicContact CD2-CD1 3.96Å; L273-L275 HydrophobicContact CD2-CG 4.14Å; L273-L275 PolarHBondContact O-N 3.15Å; L273-L275 VanDerWaalsContact O-N 3.11Å
274	K	22.2	Very low	27.9	Very low	219 Å²	219	126.5 Å²	126.5	95%	0.952	70%	0.695	S	S	*	*			trans	-64.8	101.6	157.8	-78.3	-179.9	175.3	179.3	0	106.7
275	L	23.5	Very low	28.6	Very low	147 Å²	147	120.8 Å²	120.8	77%	0.77	68%	0.683	S	S	*	*			trans	-107	117.8	166.2	-84.4	159.6	0	0	0	107.8	L273 A277	L273-L275 HydrophobicContact CB-CD1 4.49Å; L273-L275 HydrophobicContact CD2-CD1 3.96Å; L273-L275 HydrophobicContact CD2-CG 4.14Å; L273-L275 PolarHBondContact O-N 3.15Å; L273-L275 VanDerWaalsContact O-N 3.11Å; L275-A277 PolarHBondContact O-N 3.37Å
276	S	22.4	Very low	29.5	Very low	103 Å²	103	129 Å²	129	72%	0.72	71%	0.713	S	S	*	*			trans	-56.6	122.1	178.7	173.2	0	0	0	0	110	N278	S276-N278 VanDerWaalsContact C-N 3.3Å; S276-N278 PolarHBondContact O-N 2.8Å
277	A	24	Very low	30.5	Very low	83 Å²	83	123.2 Å²	123.2	69%	0.686	68%	0.676	S	S	*	*			trans	-66	89	169.6	0	0	0	0	0	109	L275	L275-A277 PolarHBondContact O-N 3.37Å
278	N	23.6	Very low	32	Very low	132 Å²	132	120.8 Å²	120.8	71%	0.706	68%	0.677	S	S	*	*			trans	-160.4	115.4	161.4	-88.4	-28.7	0	0	0	109	S276	S276-N278 VanDerWaalsContact C-N 3.3Å; S276-N278 PolarHBondContact O-N 2.8Å
279	N	25.8	Very low	33.7	Very low	151 Å²	151	127.5 Å²	127.5	81%	0.807	71%	0.71	S	S	*	*			trans	123.3	108.2	158.7	-60.6	-15.6	0	0	0	114.6	E281	N279-E281 VanDerWaalsContact C-N 3.27Å; N279-E281 PolarHBondContact O-N 2.79Å; N279-E281 VanDerWaalsContact O-N 3.16Å
280	V	28.1	Very low	35.1	Very low	153 Å²	153	125.5 Å²	125.5	93%	0.927	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	13.9	-166.3	172.1	0	0	0	0	114.1
281	E	32.8	Very low	36.4	Very low	184 Å²	184	122.9 Å²	122.9	86%	0.86	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	-0.1	-170.9	-70.5	-167.3	152.3	0	0	117.4	N279	N279-E281 VanDerWaalsContact C-N 3.27Å; N279-E281 PolarHBondContact O-N 2.79Å; N279-E281 VanDerWaalsContact O-N 3.16Å
282	Q	35.8	Very low	37.7	Very low	158 Å²	158	120.2 Å²	120.2	74%	0.738	65%	0.645	S	S	*	*			trans	-143	52.6	-175.2	-66.8	-172.7	-4	0	0	115.3	Q284	Q282-Q284 PolarHBondContact O-N 3.01Å
283	E	38.7	Very low	39	Very low	125 Å²	125	120.1 Å²	120.1	58%	0.584	63%	0.632	S	S	*	*			trans	-71.3	96.5	166.6	-70.4	-178.2	148.3	0	0	110.1	K294	E283-K294 IonicContact OE2-NZ 3.2Å; E283-K294 PolarHBondContact OE2-NZ 3.43Å
284	Q	41.2	Very low	39.9	Very low	99 Å²	99	121.6 Å²	121.6	46%	0.463	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	128.7	174.1	-62.6	-177.3	10.4	0	0	110.4	Q282 T291 C292	Q282-Q284 PolarHBondContact O-N 3.01Å; Q284-T291 HydrophobicContact CB-CG2 3.82Å; Q284-C292 CarbonylContact C-O 3.55Å; Q284-C292 VanDerWaalsContact CA-O 3.31Å; Q284-C292 WeakPolarHBondContact CA-O 3.31Å
285	A	42.6	Very low	40.8	Very low	65 Å²	65	113.4 Å²	113.4	54%	0.537	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.5	132.2	177.9	0	0	0	0	0	110.9	T291 C292	A285-T291 CarbonylContact O-C 3.57Å; A285-T291 WeakPolarHBondContact O-CA 3.26Å; A285-C292 PolarHBondContact N-O 3.14Å; A285-C292 PolarHBondContact O-N 2.9Å
286	K	45.7	Very low	41.8	Very low	190 Å²	190	109.2 Å²	109.2	83%	0.826	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.4	131.9	176.3	-78	-173.9	178.4	-177.5	0	111.2	K290 T291	K286-K290 CarbonylContact C-O 3.41Å; K286-K290 WeakPolarHBondContact CA-O 3.31Å; K286-T291 HydrophobicContact CG-CG2 3.99Å
287	C	47.9	Very low	42.9	Very low	2 Å²	2	107.1 Å²	107.1	1%	0.014	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.6	88.8	-178.1	179.9	0	0	0	0	108.4	N289 K290 C292 C298 W307	C287-N289 PolarHBondContact O-N 3.39Å; C287-K290 PolarHBondContact N-O 3.27Å; C287-K290 PolarHBondContact O-N 2.83Å; C287-C292 WeakPolarHBondContact CB-SG 3.08Å; C287-C292 VanDerWaalsContact SG-SG 3.66Å; C287-C298 VanDerWaalsContact CA-SG 3.52Å; C287-C298 HydrophobicContact CB-CB 3.78Å; C287-C298 WeakPolarHBondContact CB-SG 3.21Å; C287-C298 VanDerWaalsContact SG-CA 3.55Å; C287-C298 WeakPolarHBondContact SG-CB 2.97Å; C287-C298 CovalentContact SG-SG 2Å; C287-C298 PolarHBondContact SG-SG 3.21Å; C287-W307 VanDerWaalsContact O-CB 3.27Å; C287-W307 WeakPolarHBondContact O-CB 3.39Å
288	G	61.3	Low	44	Very low	42 Å²	42	104.8 Å²	104.8	43%	0.433	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-122.3	-167.2	0	0	0	0	0	111.7	K290	G288-K290 VanDerWaalsContact C-N 3.34Å
289	N	66.1	Low	45.1	Very low	175 Å²	175	101.9 Å²	101.9	94%	0.936	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	3.6	177.1	-66.5	-4.6	0	0	0	113.7	C287	C287-N289 PolarHBondContact O-N 3.39Å
290	K	53.9	Low	46.2	Very low	107 Å²	107	100 Å²	100	47%	0.465	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	167.9	-178.7	-65	-174.9	-177.3	168.9	0	111.7	K286 C287 G288	K286-K290 CarbonylContact C-O 3.41Å; K286-K290 WeakPolarHBondContact CA-O 3.31Å; C287-K290 PolarHBondContact N-O 3.27Å; C287-K290 PolarHBondContact O-N 2.83Å; G288-K290 VanDerWaalsContact C-N 3.34Å
291	T	54.9	Low	47.2	Very low	70 Å²	70	93.8 Å²	93.8	43%	0.429	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124	172.5	6.1	0	0	0	0	109.4	Q284 A285 K286	Q284-T291 HydrophobicContact CB-CG2 3.82Å; A285-T291 CarbonylContact O-C 3.57Å; A285-T291 WeakPolarHBondContact O-CA 3.26Å; K286-T291 HydrophobicContact CG-CG2 3.99Å
292	C	51	Low	47.6	Very low	6 Å²	6	91.8 Å²	91.8	4%	0.041	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	146.5	176.4	-54.8	0	0	0	0	110.9	Q284 A285 C287 E296 C309	Q284-C292 CarbonylContact C-O 3.55Å; Q284-C292 VanDerWaalsContact CA-O 3.31Å; Q284-C292 WeakPolarHBondContact CA-O 3.31Å; A285-C292 PolarHBondContact N-O 3.14Å; A285-C292 PolarHBondContact O-N 2.9Å; C287-C292 WeakPolarHBondContact CB-SG 3.08Å; C287-C292 VanDerWaalsContact SG-SG 3.66Å; C292-E296 WeakPolarHBondContact CA-OE2 3.47Å; C292-E296 HydrophobicContact CB-CB 4.16Å; C292-C309 WeakPolarHBondContact CA-SG 3.19Å; C292-C309 HydrophobicContact CB-CB 3.76Å; C292-C309 WeakPolarHBondContact CB-SG 3.4Å; C292-C309 WeakPolarHBondContact SG-CB 3.16Å; C292-C309 CovalentContact SG-SG 2.03Å; C292-C309 PolarHBondContact SG-SG 2.96Å
293	R	51.4	Low	48.3	Very low	173 Å²	173	94.1 Å²	94.1	65%	0.653	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	163.2	176.2	-62	179.2	179.6	-175.9	0.1	111.4	G295 E296	R293-G295 PolarHBondContact O-N 2.92Å; R293-E296 HydrophobicContact CB-CG 4.44Å; R293-E296 PolarHBondContact N-OE2 3.08Å; R293-E296 WeakPolarHBondContact O-CB 3.21Å; R293-E296 PolarHBondContact O-N 3.44Å
294	K	45.4	Very low	48.9	Very low	170 Å²	170	91.8 Å²	91.8	74%	0.739	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	124.1	171.1	-168.4	169.7	-168.1	150.3	0	111.1	E283	E283-K294 IonicContact OE2-NZ 3.2Å; E283-K294 PolarHBondContact OE2-NZ 3.43Å
295	G	40.6	Very low	49.7	Very low	46 Å²	46	91.9 Å²	91.9	47%	0.474	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	0	-177.4	0	0	0	0	0	115.4	R293 L312	R293-G295 PolarHBondContact O-N 2.92Å; G295-L312 PolarHBondContact O-N 3.42Å; G295-L312 VanDerWaalsContact O-N 3.17Å
296	E	44.4	Very low	50.1	Low	59 Å²	59	94.4 Å²	94.4	28%	0.276	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.5	173	-61	177	161.3	0	0	111.3	C292 R293 C309 R310 Q311	C292-E296 WeakPolarHBondContact CA-OE2 3.47Å; C292-E296 HydrophobicContact CB-CB 4.16Å; R293-E296 HydrophobicContact CB-CG 4.44Å; R293-E296 PolarHBondContact N-OE2 3.08Å; R293-E296 WeakPolarHBondContact O-CB 3.21Å; R293-E296 PolarHBondContact O-N 3.44Å; E296-C309 HydrophobicContact CB-CB 4.32Å; E296-R310 CarbonylContact C-O 3.54Å; E296-R310 WeakPolarHBondContact CA-O 3.33Å; E296-Q311 HydrophobicContact CG-CB 4.37Å; E296-Q311 HydrophobicContact CG-CG 4.34Å
297	L	44.9	Very low	50.7	Low	60 Å²	60	87.7 Å²	87.7	31%	0.314	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.4	174.7	-173.5	70.4	0	0	0	109.7	E299 C309 R310 L312	L297-E299 HydrophobicContact CD2-CG 3.64Å; L297-E299 WeakPolarHBondContact CD2-OE1 3.37Å; L297-E299 HydrophobicContact CG-CG 3.8Å; L297-E299 PolarHBondContact O-N 3.16Å; L297-C309 CarbonylContact O-C 3.53Å; L297-C309 WeakPolarHBondContact O-CA 3.01Å; L297-R310 WeakPolarHBondContact CB-O 3.32Å; L297-R310 PolarHBondContact N-O 3.24Å; L297-R310 PolarHBondContact O-N 3.16Å; L297-L312 HydrophobicContact CB-CD2 4.08Å; L297-L312 HydrophobicContact CB-CG 4.24Å; L297-L312 HydrophobicContact CD2-CD2 4.27Å
298	C	47.4	Very low	51.1	Low	34 Å²	34	90.1 Å²	90.1	23%	0.23	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	109.6	174.2	173.2	0	0	0	0	109.9	C287 W307 T308	C287-C298 VanDerWaalsContact CA-SG 3.52Å; C287-C298 HydrophobicContact CB-CB 3.78Å; C287-C298 WeakPolarHBondContact CB-SG 3.21Å; C287-C298 VanDerWaalsContact SG-CA 3.55Å; C287-C298 WeakPolarHBondContact SG-CB 2.97Å; C287-C298 CovalentContact SG-SG 2Å; C287-C298 PolarHBondContact SG-SG 3.21Å; C298-W307 VanDerWaalsContact SG-CZ3 3.5Å; C298-T308 WeakPolarHBondContact CA-O 3.49Å
299	E	46.8	Very low	50.8	Low	70 Å²	70	90 Å²	90	33%	0.327	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.4	-179.6	-65.3	-173	142.4	0	0	111.2	L297 T308 R310	L297-E299 HydrophobicContact CD2-CG 3.64Å; L297-E299 WeakPolarHBondContact CD2-OE1 3.37Å; L297-E299 HydrophobicContact CG-CG 3.8Å; L297-E299 PolarHBondContact O-N 3.16Å; E299-T308 PolarHBondContact N-O 3.18Å; E299-T308 PolarHBondContact O-N 3.38Å; E299-T308 PolarHBondContact O-OG1 3.06Å; E299-R310 WeakPolarHBondContact OE2-CD 3.49Å; E299-R310 IonicContact OE2-NH1 3.42Å
300	K	49.7	Very low	50.2	Low	113 Å²	113	88.8 Å²	88.8	49%	0.491	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.8	170.8	-168.1	178.9	-178.8	-176.1	0	108.9	W307	K300-W307 HydrophobicContact CB-CD2 4.1Å; K300-W307 HydrophobicContact CB-CE3 3.96Å; K300-W307 HydrophobicContact CB-CH2 4.07Å; K300-W307 HydrophobicContact CB-CZ2 4.2Å; K300-W307 HydrophobicContact CB-CZ3 3.96Å; K300-W307 HydrophobicContact CD-CZ2 4.08Å; K300-W307 HydrophobicContact CG-CD2 4.39Å
301	G	49.6	Very low	49.8	Very low	22 Å²	22	90.8 Å²	90.8	23%	0.227	47%	0.466	C	S	.	.			trans	-62	143.1	-177.2	0	0	0	0	0	112.2	K303 T304 E306	G301-K303 PolarHBondContact O-N 2.86Å; G301-K303 VanDerWaalsContact O-N 3.12Å; G301-T304 PolarHBondContact O-N 3.16Å; G301-E306 PolarHBondContact N-O 3.37Å
302	P	41.5	Very low	48.9	Very low	142 Å²	142	92 Å²	92	92%	0.922	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.4	-178.1	25.2	-33.1	0	0	0	113.9
303	K	48.7	Very low	48.1	Very low	207 Å²	207	96.7 Å²	96.7	90%	0.9	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-2	-178.9	-65.1	-173.2	179	-177.9	0	114.3	G301	G301-K303 PolarHBondContact O-N 2.86Å; G301-K303 VanDerWaalsContact O-N 3.12Å
304	T	52.6	Low	47.2	Very low	75 Å²	75	94.1 Å²	94.1	46%	0.46	50%	0.499	S	S	.	.			trans	-129.7	140.2	-178.9	53.8	0	0	0	0	109.1	G301 E306	G301-T304 PolarHBondContact O-N 3.16Å; T304-E306 PolarHBondContact O-N 2.89Å; T304-E306 VanDerWaalsContact O-N 3.14Å
305	S	56.7	Low	46.5	Very low	101 Å²	101	94.3 Å²	94.3	71%	0.706	50%	0.5	S	S	*	.	S	Bend	trans	-69.5	-1.4	171.8	42.7	0	0	0	0	112.7
306	E	52.1	Low	45.9	Very low	119 Å²	119	96.2 Å²	96.2	56%	0.556	51%	0.506	S	S	*	.			trans	-80.8	139.3	-178.5	-69.7	-167.2	153.7	0	0	113.3	G301 T304	G301-E306 PolarHBondContact N-O 3.37Å; T304-E306 PolarHBondContact O-N 2.89Å; T304-E306 VanDerWaalsContact O-N 3.14Å
307	W	57.2	Low	45.1	Very low	48 Å²	48	100.1 Å²	100.1	18%	0.182	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.7	174.1	-75.3	94.4	0	0	0	110.4	P252 V254 C287 C298 K300	P252-W307 HydrophobicContact CB-CH2 3.22Å; P252-W307 HydrophobicContact CB-CZ2 3.34Å; P252-W307 HydrophobicContact CB-CZ3 4.5Å; P252-W307 HydrophobicContact CG-CH2 3.18Å; P252-W307 HydrophobicContact CG-CZ2 3.45Å; P252-W307 VanDerWaalsContact CG-CZ2 3.45Å; P252-W307 HydrophobicContact CG-CZ3 4.41Å; V254-W307 HydrophobicContact CG2-CH2 3.94Å; V254-W307 HydrophobicContact CG2-CZ3 4.03Å; C287-W307 VanDerWaalsContact O-CB 3.27Å; C287-W307 WeakPolarHBondContact O-CB 3.39Å; C298-W307 VanDerWaalsContact SG-CZ3 3.5Å; K300-W307 HydrophobicContact CB-CD2 4.1Å; K300-W307 HydrophobicContact CB-CE3 3.96Å; K300-W307 HydrophobicContact CB-CH2 4.07Å; K300-W307 HydrophobicContact CB-CZ2 4.2Å; K300-W307 HydrophobicContact CB-CZ3 3.96Å; K300-W307 HydrophobicContact CD-CZ2 4.08Å; K300-W307 HydrophobicContact CG-CD2 4.39Å
308	T	57.1	Low	44.2	Very low	53 Å²	53	102.2 Å²	102.2	33%	0.325	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.2	-177	58.1	0	0	0	0	111.2	C298 E299	C298-T308 WeakPolarHBondContact CA-O 3.49Å; E299-T308 PolarHBondContact N-O 3.18Å; E299-T308 PolarHBondContact O-N 3.38Å; E299-T308 PolarHBondContact O-OG1 3.06Å
309	C	54.7	Low	43	Very low	40 Å²	40	108.2 Å²	108.2	27%	0.27	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.5	121.4	173.6	-55.9	0	0	0	0	108.2	C292 E296 L297	C292-C309 WeakPolarHBondContact CA-SG 3.19Å; C292-C309 HydrophobicContact CB-CB 3.76Å; C292-C309 WeakPolarHBondContact CB-SG 3.4Å; C292-C309 WeakPolarHBondContact SG-CB 3.16Å; C292-C309 CovalentContact SG-SG 2.03Å; C292-C309 PolarHBondContact SG-SG 2.96Å; E296-C309 HydrophobicContact CB-CB 4.32Å; L297-C309 CarbonylContact O-C 3.53Å; L297-C309 WeakPolarHBondContact O-CA 3.01Å
310	R	52.8	Low	41.9	Very low	150 Å²	150	109.8 Å²	109.8	57%	0.566	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.5	117.2	-178.5	-174.6	178.8	-177.3	-177.8	1.5	109.7	E296 L297 E299 L312	E296-R310 CarbonylContact C-O 3.54Å; E296-R310 WeakPolarHBondContact CA-O 3.33Å; L297-R310 WeakPolarHBondContact CB-O 3.32Å; L297-R310 PolarHBondContact N-O 3.24Å; L297-R310 PolarHBondContact O-N 3.16Å; E299-R310 WeakPolarHBondContact OE2-CD 3.49Å; E299-R310 IonicContact OE2-NH1 3.42Å; R310-L312 PolarHBondContact O-N 3.44Å
311	Q	45.8	Very low	40.8	Very low	148 Å²	148	114.3 Å²	114.3	69%	0.692	61%	0.605	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-60.7	126	175.7	-152.5	171.9	16	0	0	110	E296	E296-Q311 HydrophobicContact CG-CB 4.37Å; E296-Q311 HydrophobicContact CG-CG 4.34Å
312	L	37.2	Very low	39.8	Very low	96 Å²	96	121.8 Å²	121.8	50%	0.503	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-62.8	132.3	176.5	-73.7	166.4	0	0	0	108.4	G295 L297 R310 N314	G295-L312 PolarHBondContact O-N 3.42Å; G295-L312 VanDerWaalsContact O-N 3.17Å; L297-L312 HydrophobicContact CB-CD2 4.08Å; L297-L312 HydrophobicContact CB-CG 4.24Å; L297-L312 HydrophobicContact CD2-CD2 4.27Å; R310-L312 PolarHBondContact O-N 3.44Å; L312-N314 PolarHBondContact O-N 3.16Å; L312-N314 VanDerWaalsContact O-N 3.1Å
313	P	33.4	Very low	39.2	Very low	104 Å²	104	122.9 Å²	122.9	68%	0.675	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.8	122.4	178.7	21.2	-29.9	0	0	0	109.1	K315	P313-K315 PolarHBondContact O-N 3.11Å
314	N	33.2	Very low	38.2	Very low	119 Å²	119	125.2 Å²	125.2	64%	0.636	63%	0.625	S	S	*	*			trans	-58.1	99.7	173.1	-106.1	-15.2	0	0	0	108.3	L312 S316 I317	L312-N314 PolarHBondContact O-N 3.16Å; L312-N314 VanDerWaalsContact O-N 3.1Å; N314-S316 PolarHBondContact O-N 3.22Å; N314-I317 HydrophobicContact CB-CD1 4.41Å; N314-I317 PolarHBondContact O-N 3.39Å
315	K	30.4	Very low	37.2	Very low	175 Å²	175	126.7 Å²	126.7	76%	0.761	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	12.1	171.8	-83.3	-170.9	175.9	-178.6	0	113.1	P313	P313-K315 PolarHBondContact O-N 3.11Å
316	S	28.1	Very low	36.3	Very low	86 Å²	86	129 Å²	129	60%	0.601	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-6.4	176.5	56.7	0	0	0	0	114.8	N314	N314-S316 PolarHBondContact O-N 3.22Å
317	I	27.2	Very low	35.4	Very low	141 Å²	141	127.4 Å²	127.4	72%	0.723	62%	0.622	S	S	*	*	S	Bend	trans	-104.8	-20	-174	-56.2	174.5	0	0	0	113	N314	N314-I317 HydrophobicContact CB-CD1 4.41Å; N314-I317 PolarHBondContact O-N 3.39Å
318	S	25.7	Very low	34.3	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	65%	0.649	S	S	*	*	S	Bend	trans	-106	7.1	-177.1	50.9	0	0	0	0	115.4
319	F	23.3	Very low	33.3	Very low	160 Å²	160	135.6 Å²	135.6	70%	0.702	67%	0.665	S	S	*	*	S	Bend	trans	-76.7	129	158.9	-88.3	-91.6	0	0	0	107.9	K321	F319-K321 PolarHBondContact O-N 3.07Å; F319-K321 VanDerWaalsContact O-N 3.13Å
320	P	22.8	Very low	32.3	Very low	103 Å²	103	135.2 Å²	135.2	67%	0.669	66%	0.66	S	S	*	*			trans	-54	130	166.6	24.7	-30.2	0	0	0	106.1	K322	P320-K322 PolarHBondContact O-N 2.93Å
321	K	26.7	Very low	31.6	Very low	208 Å²	208	134 Å²	134	90%	0.904	66%	0.659	S	S	*	*			trans	-54.8	84.7	168.2	-74.8	178.6	178.3	175.8	0	106.9	F319 K323	F319-K321 PolarHBondContact O-N 3.07Å; F319-K321 VanDerWaalsContact O-N 3.13Å; K321-K323 PolarHBondContact O-N 3.22Å
322	K	28.8	Very low	31.2	Very low	180 Å²	180	137.2 Å²	137.2	78%	0.783	67%	0.665	S	S	*	*			trans	-57.5	118.1	168.5	-95.3	-174	174.5	-178.8	0	104	P320 R324	P320-K322 PolarHBondContact O-N 2.93Å; K322-R324 PolarHBondContact O-N 3.1Å
323	K	28.4	Very low	31.5	Very low	164 Å²	164	135.2 Å²	135.2	71%	0.713	65%	0.654	S	S	*	*			trans	-38.6	128.6	176.2	-70.4	162.9	120.1	-157.1	0	108.7	K321 D325	K321-K323 PolarHBondContact O-N 3.22Å; K323-D325 HydrophobicContact CB-CB 4.11Å; K323-D325 VanDerWaalsContact CB-CG 3.44Å; K323-D325 WeakPolarHBondContact CB-OD2 3.17Å; K323-D325 VanDerWaalsContact CD-OD2 3.3Å; K323-D325 WeakPolarHBondContact CD-OD2 3.09Å; K323-D325 IonicContact NZ-OD2 2.89Å; K323-D325 PolarHBondContact O-N 2.72Å
324	R	28.2	Very low	32.4	Very low	257 Å²	257	133.1 Å²	133.1	97%	0.97	64%	0.641	S	S	*	*			trans	-61.1	72.7	162.5	-75.7	176.4	172.2	164.8	-4.3	107.5	K322	K322-R324 PolarHBondContact O-N 3.1Å
325	D	31.9	Very low	33.4	Very low	105 Å²	105	130.8 Å²	130.8	56%	0.561	63%	0.628	S	S	*	*			trans	-111	111.5	-175.3	-81.7	-9	0	0	0	109.4	K323 L327	K323-D325 HydrophobicContact CB-CB 4.11Å; K323-D325 VanDerWaalsContact CB-CG 3.44Å; K323-D325 WeakPolarHBondContact CB-OD2 3.17Å; K323-D325 VanDerWaalsContact CD-OD2 3.3Å; K323-D325 WeakPolarHBondContact CD-OD2 3.09Å; K323-D325 IonicContact NZ-OD2 2.89Å; K323-D325 PolarHBondContact O-N 2.72Å; D325-L327 PolarHBondContact O-N 3.39Å
326	F	36.9	Very low	34.7	Very low	150 Å²	150	125 Å²	125	66%	0.658	61%	0.613	S	S	*	*	S	Bend	trans	80.2	-46.9	148	-142.6	-109.6	0	0	0	119.1	L330	F326-L330 HydrophobicContact CD1-CD1 3.51Å; F326-L330 HydrophobicContact CD1-CG 4.29Å; F326-L330 HydrophobicContact CE1-CD1 3.77Å; F326-L330 HydrophobicContact CE1-CG 4.38Å; F326-L330 HydrophobicContact CG-CD1 4.38Å; F326-L330 WeakPolarHBondContact O-CD1 3.43Å; F326-L330 WeakPolarHBondContact O-CG 3.45Å; F326-L330 PolarHBondContact O-N 3.41Å
327	L	33.6	Very low	36.3	Very low	85 Å²	85	126.2 Å²	126.2	45%	0.445	61%	0.61	S	S	.	*	H	α-helix	trans	-76	-36.4	-171.7	-84.5	158.1	0	0	0	114.4	D325 M329 L330 F331	D325-L327 PolarHBondContact O-N 3.39Å; L327-M329 VanDerWaalsContact C-N 3.27Å; L327-M329 PolarHBondContact O-N 3.11Å; L327-L330 HydrophobicContact CD2-CD1 4.13Å; L327-L330 WeakPolarHBondContact O-CB 3.06Å; L327-L330 PolarHBondContact O-N 2.83Å; L327-F331 WeakPolarHBondContact O-CD2 3.32Å
328	D	34.8	Very low	37.8	Very low	139 Å²	139	121.9 Å²	121.9	74%	0.743	59%	0.587	S	S	*	*	H	α-helix	trans	-74.1	-21.1	178.8	-148.8	30.9	0	0	0	112.5
329	M	35.4	Very low	39.5	Very low	135 Å²	135	117.3 Å²	117.3	67%	0.665	55%	0.554	S	S	*	*	H	α-helix	trans	-80.5	-31.4	173.6	-161.3	174.1	-177.4	0	0	111.6	L327 F331 R332 M333	L327-M329 VanDerWaalsContact C-N 3.27Å; L327-M329 PolarHBondContact O-N 3.11Å; M329-F331 PolarHBondContact O-N 3.05Å; M329-R332 PolarHBondContact O-N 3.17Å; M329-M333 HydrophobicContact CG-SD 4.16Å; M329-M333 WeakPolarHBondContact O-CG 3.32Å; M329-M333 PolarHBondContact O-N 3Å
330	L	34.2	Very low	41.5	Very low	32 Å²	32	110.8 Å²	110.8	17%	0.168	53%	0.532	C	S	.	.	H	α-helix	trans	-67.4	-29.7	-179.9	-81	165.8	0	0	0	114.3	F326 L327 M338	F326-L330 HydrophobicContact CD1-CD1 3.51Å; F326-L330 HydrophobicContact CD1-CG 4.29Å; F326-L330 HydrophobicContact CE1-CD1 3.77Å; F326-L330 HydrophobicContact CE1-CG 4.38Å; F326-L330 HydrophobicContact CG-CD1 4.38Å; F326-L330 WeakPolarHBondContact O-CD1 3.43Å; F326-L330 WeakPolarHBondContact O-CG 3.45Å; F326-L330 PolarHBondContact O-N 3.41Å; L327-L330 HydrophobicContact CD2-CD1 4.13Å; L327-L330 WeakPolarHBondContact O-CB 3.06Å; L327-L330 PolarHBondContact O-N 2.83Å; L330-M338 WeakPolarHBondContact O-CE 3.3Å
331	F	37.5	Very low	43.7	Very low	125 Å²	125	112.2 Å²	112.2	55%	0.548	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.1	-177.9	-82.8	-84.8	0	0	0	114.3	E71 L327 M329	E71-F331 WeakPolarHBondContact OE1-CE1 3.44Å; L327-F331 WeakPolarHBondContact O-CD2 3.32Å; M329-F331 PolarHBondContact O-N 3.05Å
332	R	36.9	Very low	45.8	Very low	215 Å²	215	106.1 Å²	106.1	81%	0.811	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-8.2	176.3	-74.1	-173.7	174.7	-170.2	-0.8	114.3	M329	M329-R332 PolarHBondContact O-N 3.17Å
333	M	43.7	Very low	48.1	Very low	54 Å²	54	99 Å²	99	27%	0.266	51%	0.508	S	S	.	.	S	Bend	trans	-79.4	123.3	178.1	-77.5	171.9	81.5	0	0	110.3	M329 E337 M338	M329-M333 HydrophobicContact CG-SD 4.16Å; M329-M333 WeakPolarHBondContact O-CG 3.32Å; M329-M333 PolarHBondContact O-N 3Å; M333-E337 VanDerWaalsContact CA-OE2 3.26Å; M333-E337 WeakPolarHBondContact CA-OE2 3.48Å; M333-E337 HydrophobicContact CB-CB 3.83Å; M333-E337 VanDerWaalsContact CE-C 3.5Å; M333-E337 HydrophobicContact CE-CB 3.62Å; M333-E337 WeakPolarHBondContact CE-O 3.3Å; M333-E337 HydrophobicContact CG-CB 3.98Å; M333-M338 HydrophobicContact CB-CE 4.43Å; M333-M338 HydrophobicContact CB-CG 4Å; M333-M338 WeakPolarHBondContact O-CE 3.42Å
334	S	53.6	Low	50.3	Low	60 Å²	60	94.3 Å²	94.3	42%	0.42	49%	0.491	S	S	.	.			trans	-56.2	155.1	167.8	62	0	0	0	0	110.1	A336 E337 M338	S334-A336 PolarHBondContact O-N 2.65Å; S334-E337 PolarHBondContact N-OE2 3.34Å; S334-E337 WeakPolarHBondContact O-CA 3.31Å; S334-E337 WeakPolarHBondContact O-CB 3.25Å; S334-E337 PolarHBondContact O-N 2.9Å; S334-E337 WeakPolarHBondContact OG-CG 3.27Å; S334-E337 PolarHBondContact OG-N 3.46Å; S334-E337 PolarHBondContact OG-OE2 3.19Å; S334-M338 PolarHBondContact O-N 3.3Å
335	L	53.9	Low	52.5	Low	69 Å²	69	82.7 Å²	82.7	36%	0.361	45%	0.449	S	S	.	.	H	α-helix	trans	-55.7	-30	178.4	-158.4	78.5	0	0	0	111.6	M338 C339 L344 G348 R349	L335-M338 PolarHBondContact O-N 2.99Å; L335-C339 PolarHBondContact O-N 2.96Å; L335-C339 PolarHBondContact O-SG 3.49Å; L335-L344 HydrophobicContact CB-CD1 4.24Å; L335-L344 HydrophobicContact CD2-CD1 3.88Å; L335-L344 HydrophobicContact CG-CD1 4.08Å; L335-G348 WeakPolarHBondContact CD2-O 3.33Å; L335-R349 WeakPolarHBondContact CD2-O 3.22Å
336	A	56.5	Low	54.4	Low	54 Å²	54	84.3 Å²	84.3	45%	0.446	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-34.7	172.8	0	0	0	0	0	113.7	S334 L344	S334-A336 PolarHBondContact O-N 2.65Å; A336-L344 HydrophobicContact CB-CD2 3.98Å
337	E	61.8	Low	56	Low	112 Å²	112	81.6 Å²	81.6	52%	0.523	46%	0.461	S	S	.	.	H	α-helix	trans	-80.9	-28.3	175	-71.5	167.3	136.1	0	0	111.6	M333 S334	M333-E337 VanDerWaalsContact CA-OE2 3.26Å; M333-E337 WeakPolarHBondContact CA-OE2 3.48Å; M333-E337 HydrophobicContact CB-CB 3.83Å; M333-E337 VanDerWaalsContact CE-C 3.5Å; M333-E337 HydrophobicContact CE-CB 3.62Å; M333-E337 WeakPolarHBondContact CE-O 3.3Å; M333-E337 HydrophobicContact CG-CB 3.98Å; S334-E337 PolarHBondContact N-OE2 3.34Å; S334-E337 WeakPolarHBondContact O-CA 3.31Å; S334-E337 WeakPolarHBondContact O-CB 3.25Å; S334-E337 PolarHBondContact O-N 2.9Å; S334-E337 WeakPolarHBondContact OG-CG 3.27Å; S334-E337 PolarHBondContact OG-N 3.46Å; S334-E337 PolarHBondContact OG-OE2 3.19Å
338	M	59.1	Low	57.5	Low	50 Å²	50	79.2 Å²	79.2	25%	0.246	46%	0.457	C	S	.	.	H	α-helix	trans	-73.3	-32.9	174.8	-65.7	-163.5	-155.4	0	0	112.9	L330 M333 S334 L335 R361	L330-M338 WeakPolarHBondContact O-CE 3.3Å; M333-M338 HydrophobicContact CB-CE 4.43Å; M333-M338 HydrophobicContact CB-CG 4Å; M333-M338 WeakPolarHBondContact O-CE 3.42Å; S334-M338 PolarHBondContact O-N 3.3Å; L335-M338 PolarHBondContact O-N 2.99Å; M338-R361 WeakPolarHBondContact O-CB 3.26Å; M338-R361 WeakPolarHBondContact O-CD 3.15Å; M338-R361 VanDerWaalsContact O-CG 3.26Å; M338-R361 WeakPolarHBondContact O-CG 3.18Å; M338-R361 PolarHBondContact SD-NH2 3.26Å
339	C	61	Low	59	Low	6 Å²	6	82.5 Å²	82.5	4%	0.041	46%	0.459	C	S	.	.	S	Bend	trans	-79.6	142.7	173.1	-56.3	0	0	0	0	110.3	L335 N343 C351	L335-C339 PolarHBondContact O-N 2.96Å; L335-C339 PolarHBondContact O-SG 3.49Å; C339-N343 HydrophobicContact CB-CB 4.46Å; C339-C351 WeakPolarHBondContact CA-SG 3.32Å; C339-C351 HydrophobicContact CB-CB 3.84Å; C339-C351 WeakPolarHBondContact CB-SG 3.49Å; C339-C351 WeakPolarHBondContact SG-CA 3.14Å; C339-C351 WeakPolarHBondContact SG-CB 3.41Å; C339-C351 CovalentContact SG-SG 2.03Å; C339-C351 PolarHBondContact SG-SG 3.03Å
340	G	65.5	Low	60.8	Low	23 Å²	23	82.2 Å²	82.2	24%	0.237	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-52.6	147.9	166.2	0	0	0	0	0	111.4	G342 N343 R361	G340-G342 PolarHBondContact O-N 2.98Å; G340-N343 VanDerWaalsContact O-CB 3.29Å; G340-N343 WeakPolarHBondContact O-CB 3.29Å; G340-N343 PolarHBondContact O-N 3.25Å; G340-R361 PolarHBondContact N-O 3.16Å
341	P	69.2	Low	62.8	Low	133 Å²	133	82 Å²	82	86%	0.864	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	127.3	-175.5	-25.2	32	0	0	0	112.2	N343	P341-N343 VanDerWaalsContact C-N 3.32Å; P341-N343 PolarHBondContact O-N 3.48Å
342	G	70.5	Confident	64.8	Low	80 Å²	80	79.8 Å²	79.8	83%	0.825	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-2.7	179.8	0	0	0	0	0	115.8	G340	G340-G342 PolarHBondContact O-N 2.98Å
343	N	77.1	Confident	66.8	Low	31 Å²	31	71.5 Å²	71.5	17%	0.166	43%	0.426	C	S	.	.			trans	-98	17.5	-178.5	-61.6	-30.1	0	0	0	113.2	C339 G340 P341 C351 V352 P354	C339-N343 HydrophobicContact CB-CB 4.46Å; G340-N343 VanDerWaalsContact O-CB 3.29Å; G340-N343 WeakPolarHBondContact O-CB 3.29Å; G340-N343 PolarHBondContact O-N 3.25Å; P341-N343 VanDerWaalsContact C-N 3.32Å; P341-N343 PolarHBondContact O-N 3.48Å; N343-C351 CarbonylContact O-C 3.54Å; N343-C351 WeakPolarHBondContact O-CA 3.36Å; N343-V352 WeakPolarHBondContact CB-O 3.31Å; N343-V352 PolarHBondContact O-N 3.23Å; N343-P354 WeakPolarHBondContact OD1-CD 3.05Å
344	L	74.2	Confident	68.4	Low	65 Å²	65	71.7 Å²	71.7	34%	0.34	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-84.3	133.9	174.6	-169.3	70.2	0	0	0	109.2	L335 A336	L335-L344 HydrophobicContact CB-CD1 4.24Å; L335-L344 HydrophobicContact CD2-CD1 3.88Å; L335-L344 HydrophobicContact CG-CD1 4.08Å; A336-L344 HydrophobicContact CB-CD2 3.98Å
345	S	74.6	Confident	69.6	Low	13 Å²	13	74.2 Å²	74.2	9%	0.091	45%	0.449	C	S	.	.			trans	-59.3	153.9	173.7	55.4	0	0	0	0	111.6	D347 G348 R349 K350	S345-D347 WeakPolarHBondContact CB-OD1 3.38Å; S345-D347 PolarHBondContact O-N 2.03Å; S345-D347 VanDerWaalsContact O-N 3.13Å; S345-D347 PolarHBondContact OG-OD1 2.77Å; S345-G348 WeakPolarHBondContact O-CA 3.01Å; S345-G348 PolarHBondContact O-N 3.34Å; S345-R349 PolarHBondContact OG-N 3.43Å; S345-K350 WeakPolarHBondContact CB-O 3.06Å; S345-K350 PolarHBondContact N-O 3.32Å; S345-K350 WeakPolarHBondContact OG-CG 3.36Å; S345-K350 PolarHBondContact OG-N 2.68Å; S345-K350 VanDerWaalsContact OG-N 3.12Å; S345-K350 PolarHBondContact OG-O 2.86Å
346	S	72.7	Confident	70.8	Confident	140 Å²	140	75.5 Å²	75.5	98%	0.979	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25	177.9	50.2	0	0	0	0	113.7
347	D	70.6	Confident	71.7	Confident	92 Å²	92	74.6 Å²	74.6	49%	0.492	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.4	174.6	68.1	-5.1	0	0	0	113.9	S345 R349	S345-D347 WeakPolarHBondContact CB-OD1 3.38Å; S345-D347 PolarHBondContact O-N 2.03Å; S345-D347 VanDerWaalsContact O-N 3.13Å; S345-D347 PolarHBondContact OG-OD1 2.77Å; D347-R349 PolarHBondContact O-N 3.17Å; D347-R349 PolarHBondContact OD1-N 3.46Å
348	G	65.4	Low	72.2	Confident	35 Å²	35	72.1 Å²	72.1	36%	0.361	44%	0.441	S	S	.	.	S	Bend	trans	69.5	12.3	176.8	0	0	0	0	0	115.5	L335 S345	L335-G348 WeakPolarHBondContact CD2-O 3.33Å; S345-G348 WeakPolarHBondContact O-CA 3.01Å; S345-G348 PolarHBondContact O-N 3.34Å
349	R	66.3	Low	72.4	Confident	208 Å²	208	71 Å²	71	79%	0.785	44%	0.442	S	S	*	.	S	Bend	trans	-103.8	-11.5	-170.5	-70.6	178.7	-178.6	-162.6	0	115.2	L335 S345 D347	L335-R349 WeakPolarHBondContact CD2-O 3.22Å; S345-R349 PolarHBondContact OG-N 3.43Å; D347-R349 PolarHBondContact O-N 3.17Å; D347-R349 PolarHBondContact OD1-N 3.46Å
350	K	72.6	Confident	72.7	Confident	130 Å²	130	82 Å²	82	57%	0.565	48%	0.483	S	S	*	.	S	Bend	trans	-154.1	160.4	179.4	58.6	-176.4	177.3	-177.2	0	112.4	S345	S345-K350 WeakPolarHBondContact CB-O 3.06Å; S345-K350 PolarHBondContact N-O 3.32Å; S345-K350 WeakPolarHBondContact OG-CG 3.36Å; S345-K350 PolarHBondContact OG-N 2.68Å; S345-K350 VanDerWaalsContact OG-N 3.12Å; S345-K350 PolarHBondContact OG-O 2.86Å
351	C	75.4	Confident	72.8	Confident	26 Å²	26	84 Å²	84	18%	0.176	48%	0.484	C	S	.	.	B	Isolated β-bridge	trans	-81.9	132.7	166.9	-49.1	0	0	0	0	110.1	C339 N343	C339-C351 WeakPolarHBondContact CA-SG 3.32Å; C339-C351 HydrophobicContact CB-CB 3.84Å; C339-C351 WeakPolarHBondContact CB-SG 3.49Å; C339-C351 WeakPolarHBondContact SG-CA 3.14Å; C339-C351 WeakPolarHBondContact SG-CB 3.41Å; C339-C351 CovalentContact SG-SG 2.03Å; C339-C351 PolarHBondContact SG-SG 3.03Å; N343-C351 CarbonylContact O-C 3.54Å; N343-C351 WeakPolarHBondContact O-CA 3.36Å
352	V	80.8	Confident	73.1	Confident	79 Å²	79	78.4 Å²	78.4	48%	0.479	45%	0.447	S	S	.	.			trans	-110.1	107.6	173.5	-177.3	0	0	0	0	107.7	N343	N343-V352 WeakPolarHBondContact CB-O 3.31Å; N343-V352 PolarHBondContact O-N 3.23Å
353	C	77.6	Confident	73.1	Confident	42 Å²	42	79.7 Å²	79.7	28%	0.284	43%	0.432	S	S	.	.			trans	-85.2	138.3	-173.3	-54.7	0	0	0	0	112	V357 C362	C353-V357 HydrophobicContact CB-CG2 4.18Å; C353-V357 WeakPolarHBondContact CB-O 3.24Å; C353-C362 WeakPolarHBondContact CA-SG 3.43Å; C353-C362 HydrophobicContact CB-CB 3.7Å; C353-C362 WeakPolarHBondContact CB-SG 3.49Å; C353-C362 PolarHBondContact N-SG 2.48Å; C353-C362 WeakPolarHBondContact SG-CA 3.47Å; C353-C362 WeakPolarHBondContact SG-CB 3.15Å; C353-C362 CovalentContact SG-SG 2.03Å; C353-C362 PolarHBondContact SG-SG 2.9Å
354	P	77.1	Confident	72.7	Confident	57 Å²	57	79.9 Å²	79.9	37%	0.37	43%	0.433	S	S	.	.			trans	-56.4	154.2	165.3	-21.6	29.7	0	0	0	111.1	N343 T356 V357	N343-P354 WeakPolarHBondContact OD1-CD 3.05Å; P354-T356 PolarHBondContact O-N 2.86Å; P354-V357 HydrophobicContact CB-CG2 4.25Å; P354-V357 HydrophobicContact CG-CG2 4.16Å; P354-V357 PolarHBondContact O-N 3.13Å; P354-V357 VanDerWaalsContact O-O 3.1Å
355	S	79.8	Confident	72.7	Confident	114 Å²	114	80.3 Å²	80.3	80%	0.797	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-5.9	-176.6	52.2	0	0	0	0	115.6
356	T	78.6	Confident	71.9	Confident	96 Å²	96	85 Å²	85	59%	0.589	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-8.3	179.5	54.4	0	0	0	0	113.7	P354 L366	P354-T356 PolarHBondContact O-N 2.86Å; T356-L366 PolarHBondContact O-N 2.97Å
357	V	76.3	Confident	71.4	Confident	35 Å²	35	82.2 Å²	82.2	21%	0.212	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.4	-177	-69.8	0	0	0	0	112.4	C353 P354 C362 I364	C353-V357 HydrophobicContact CB-CG2 4.18Å; C353-V357 WeakPolarHBondContact CB-O 3.24Å; P354-V357 HydrophobicContact CB-CG2 4.25Å; P354-V357 HydrophobicContact CG-CG2 4.16Å; P354-V357 PolarHBondContact O-N 3.13Å; P354-V357 VanDerWaalsContact O-O 3.1Å; V357-C362 HydrophobicContact CG2-CB 3.99Å; V357-I364 CarbonylContact C-O 3.57Å; V357-I364 VanDerWaalsContact CA-O 3.31Å; V357-I364 WeakPolarHBondContact CA-O 3.21Å
358	T	70.8	Confident	70.3	Confident	59 Å²	59	85.6 Å²	85.6	36%	0.362	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	176.5	-173.7	153.8	0	0	0	0	108.7	C362 E363 I364 L366	T358-C362 CarbonylContact O-C 3.39Å; T358-E363 PolarHBondContact O-N 3.03Å; T358-I364 HydrophobicContact CG2-CB 4.23Å; T358-I364 HydrophobicContact CG2-CG2 4.3Å; T358-I364 VanDerWaalsContact CG2-O 3.24Å; T358-I364 WeakPolarHBondContact CG2-O 3.35Å; T358-I364 PolarHBondContact N-O 2.03Å; T358-I364 WeakPolarHBondContact O-CA 3.36Å; T358-I364 WeakPolarHBondContact O-CB 3.03Å; T358-I364 PolarHBondContact O-N 3.5Å; T358-L366 HydrophobicContact CG2-CB 4.32Å; T358-L366 HydrophobicContact CG2-CD1 3.7Å; T358-L366 HydrophobicContact CG2-CG 3.82Å
359	G	65	Low	69.2	Low	27 Å²	27	88.8 Å²	88.8	28%	0.278	48%	0.483	S	S	.	.	S	Bend	trans	100.6	164.4	-174.4	0	0	0	0	0	112.8	R361 C362 E363	G359-R361 PolarHBondContact O-N 3.25Å; G359-C362 PolarHBondContact O-N 3.23Å; G359-E363 VanDerWaalsContact C-OE2 3.26Å; G359-E363 WeakPolarHBondContact CA-OE2 3.36Å
360	R	65.9	Low	68.1	Low	237 Å²	237	85.7 Å²	85.7	89%	0.894	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.1	-176	-80.7	-174.4	176.1	-171.9	-1.6	113	E363	R360-E363 PolarHBondContact N-OE2 3.12Å
361	R	69.3	Low	66.2	Low	66 Å²	66	90.2 Å²	90.2	25%	0.249	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	7.5	-176.9	-62.8	177.7	177.9	-154.6	-9.6	113.1	M338 G340 G359 E363	M338-R361 WeakPolarHBondContact O-CB 3.26Å; M338-R361 WeakPolarHBondContact O-CD 3.15Å; M338-R361 VanDerWaalsContact O-CG 3.26Å; M338-R361 WeakPolarHBondContact O-CG 3.18Å; M338-R361 PolarHBondContact SD-NH2 3.26Å; G340-R361 PolarHBondContact N-O 3.16Å; G359-R361 PolarHBondContact O-N 3.25Å; R361-E363 VanDerWaalsContact C-N 3.32Å; R361-E363 VanDerWaalsContact C-OE2 3.24Å; R361-E363 VanDerWaalsContact CA-OE2 3.22Å; R361-E363 WeakPolarHBondContact CA-OE2 3.16Å; R361-E363 HydrophobicContact CB-CB 4.4Å; R361-E363 HydrophobicContact CB-CG 4.44Å; R361-E363 VanDerWaalsContact CB-OE2 3.3Å; R361-E363 WeakPolarHBondContact CB-OE2 3.37Å; R361-E363 PolarHBondContact N-OE2 2.72Å
362	C	73.8	Confident	65.8	Low	14 Å²	14	93.5 Å²	93.5	10%	0.095	53%	0.527	C	S	.	.	S	Bend	trans	62.4	38.3	-173	-43.8	0	0	0	0	113.1	C353 V357 T358 G359	C353-C362 WeakPolarHBondContact CA-SG 3.43Å; C353-C362 HydrophobicContact CB-CB 3.7Å; C353-C362 WeakPolarHBondContact CB-SG 3.49Å; C353-C362 PolarHBondContact N-SG 2.48Å; C353-C362 WeakPolarHBondContact SG-CA 3.47Å; C353-C362 WeakPolarHBondContact SG-CB 3.15Å; C353-C362 CovalentContact SG-SG 2.03Å; C353-C362 PolarHBondContact SG-SG 2.9Å; V357-C362 HydrophobicContact CG2-CB 3.99Å; T358-C362 CarbonylContact O-C 3.39Å; G359-C362 PolarHBondContact O-N 3.23Å
363	E	70.8	Confident	65	Low	107 Å²	107	94.2 Å²	94.2	50%	0.5	53%	0.529	S	S	.	.			trans	-100.8	-12.3	-172.4	72.9	-81.2	-142.9	0	0	114	T358 G359 R360 R361	T358-E363 PolarHBondContact O-N 3.03Å; G359-E363 VanDerWaalsContact C-OE2 3.26Å; G359-E363 WeakPolarHBondContact CA-OE2 3.36Å; R360-E363 PolarHBondContact N-OE2 3.12Å; R361-E363 VanDerWaalsContact C-N 3.32Å; R361-E363 VanDerWaalsContact C-OE2 3.24Å; R361-E363 VanDerWaalsContact CA-OE2 3.22Å; R361-E363 WeakPolarHBondContact CA-OE2 3.16Å; R361-E363 HydrophobicContact CB-CB 4.4Å; R361-E363 HydrophobicContact CB-CG 4.44Å; R361-E363 VanDerWaalsContact CB-OE2 3.3Å; R361-E363 WeakPolarHBondContact CB-OE2 3.37Å; R361-E363 PolarHBondContact N-OE2 2.72Å
364	I	70.1	Confident	64.3	Low	36 Å²	36	97.1 Å²	97.1	19%	0.185	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.9	-175.1	-50.3	174.2	0	0	0	109.3	V357 T358 L366 I370	V357-I364 CarbonylContact C-O 3.57Å; V357-I364 VanDerWaalsContact CA-O 3.31Å; V357-I364 WeakPolarHBondContact CA-O 3.21Å; T358-I364 HydrophobicContact CG2-CB 4.23Å; T358-I364 HydrophobicContact CG2-CG2 4.3Å; T358-I364 VanDerWaalsContact CG2-O 3.24Å; T358-I364 WeakPolarHBondContact CG2-O 3.35Å; T358-I364 PolarHBondContact N-O 2.03Å; T358-I364 WeakPolarHBondContact O-CA 3.36Å; T358-I364 WeakPolarHBondContact O-CB 3.03Å; T358-I364 PolarHBondContact O-N 3.5Å; I364-L366 PolarHBondContact O-N 3.02Å; I364-I370 HydrophobicContact CD1-CD1 3.6Å; I364-I370 HydrophobicContact CD1-CG1 4.45Å
365	P	73.3	Confident	63.6	Low	74 Å²	74	99.5 Å²	99.5	48%	0.481	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-60.7	135.9	171.2	-21.1	32.4	0	0	0	111.5	G367 K368	P365-G367 PolarHBondContact O-N 3.22Å; P365-K368 PolarHBondContact O-N 2.85Å
366	L	58.1	Low	62.5	Low	110 Å²	110	98.6 Å²	98.6	58%	0.576	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	125.7	175.3	-110.5	99.6	0	0	0	109.9	T356 T358 I364	T356-L366 PolarHBondContact O-N 2.97Å; T358-L366 HydrophobicContact CG2-CB 4.32Å; T358-L366 HydrophobicContact CG2-CD1 3.7Å; T358-L366 HydrophobicContact CG2-CG 3.82Å; I364-L366 PolarHBondContact O-N 3.02Å
367	G	61.9	Low	61.5	Low	82 Å²	82	98.7 Å²	98.7	85%	0.845	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.8	-7	179.8	0	0	0	0	0	115.7	P365	P365-G367 PolarHBondContact O-N 3.22Å
368	K	47.6	Very low	60.4	Low	163 Å²	163	103.3 Å²	103.3	71%	0.709	56%	0.557	S	S	*	*			trans	-101.8	99.6	167.7	-76.7	-172.8	175.8	-178.6	0	110.1	P365	P365-K368 PolarHBondContact O-N 2.85Å
369	S	42.2	Very low	59.6	Low	102 Å²	102	106.7 Å²	106.7	71%	0.713	57%	0.572	S	S	*	*			trans	-70.7	127.9	166.7	57.1	0	0	0	0	109.3	L371	S369-L371 PolarHBondContact O-N 3.36Å; S369-L371 VanDerWaalsContact O-N 3.16Å
370	I	43.5	Very low	59.2	Low	143 Å²	143	113.3 Å²	113.3	73%	0.733	60%	0.597	S	S	*	*			trans	-72.1	106.6	168.2	-58.6	172.5	0	0	0	106.4	I364	I364-I370 HydrophobicContact CD1-CD1 3.6Å; I364-I370 HydrophobicContact CD1-CG1 4.45Å
371	L	33.6	Very low	58.6	Low	226 Å²	226	102.1 Å²	102.1	100%	1.183	57%	0.57	S	S	*	*			trans	-76.2	0	164.6	-103.2	155.3	0	0	0	109.9	S369	S369-L371 PolarHBondContact O-N 3.36Å; S369-L371 VanDerWaalsContact O-N 3.16Å

Retrieved 371 of 371 residues in 688.2 ms (Link to these results)

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