A0A077ZMH3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZMH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	30.1	Very low	245 Å²	245	155.5 Å²	155.5	100%	1.207	86%	0.856	S	S	*	*				0	91.8	0	-69.9	172	167.2	0	0	108.6
2	P	42.3	Very low	29.7	Very low	123 Å²	123	152.8 Å²	152.8	80%	0.799	85%	0.848	S	S	*	*			trans	-109.8	-177.1	175.2	40.4	-27.1	0	0	0	109.9
3	P	36	Very low	29.6	Very low	132 Å²	132	160 Å²	160	86%	0.857	85%	0.854	S	S	*	*			cis	-136.9	-178.4	14.6	36.4	-13.9	0	0	0	112.4
4	G	27.2	Very low	29.5	Very low	69 Å²	69	155.7 Å²	155.7	71%	0.711	85%	0.852	S	S	*	*			cis	175.3	145.8	6.3	0	0	0	0	0	106.3
5	L	28.9	Very low	29.7	Very low	180 Å²	180	159.1 Å²	159.1	94%	0.942	86%	0.855	S	S	*	*			trans	-126.8	89.9	170	-108.6	153.1	0	0	0	106.9
6	Q	26.2	Very low	29.7	Very low	185 Å²	185	154.9 Å²	154.9	86%	0.864	84%	0.842	S	S	*	*			trans	-113.1	135.8	154.1	-84.9	-168.9	-5.6	0	0	107.1
7	V	32	Very low	29.7	Very low	155 Å²	155	155.6 Å²	155.6	94%	0.939	85%	0.845	S	S	*	*			trans	158.2	126.4	143.8	175.7	0	0	0	0	104.4
8	G	29.6	Very low	29.8	Very low	72 Å²	72	153.6 Å²	153.6	74%	0.742	83%	0.832	S	S	*	*			cis	179.3	167.1	9.7	0	0	0	0	0	110.2
9	R	26.9	Very low	29.7	Very low	232 Å²	232	154.7 Å²	154.7	88%	0.875	84%	0.835	S	S	*	*			trans	-59.9	147.7	-173.9	-78.3	167.7	167.8	169.9	-4.4	116.6
10	Q	25.7	Very low	29.6	Very low	162 Å²	162	155.8 Å²	155.8	76%	0.757	83%	0.834	S	S	*	*				46.6	128.4	128.2	-65.1	-176.5	-31.8	0	0	122.4
11	H	23.9	Very low	29.4	Very low	155 Å²	155	151.6 Å²	151.6	72%	0.718	83%	0.828	S	S	*	*			trans	70.3	116.5	134.6	-81.6	-78.9	0	0	0	122.1
12	T	25.9	Very low	29.1	Very low	124 Å²	124	148.6 Å²	148.6	76%	0.761	82%	0.815	S	S	*	*			trans	63.1	113.7	136.2	53.7	0	0	0	0	120
13	R	28.3	Very low	28.2	Very low	246 Å²	246	146 Å²	146	93%	0.928	81%	0.811	S	S	*	*			trans	-156.6	101.5	138.7	-127	176.4	-178.7	-178.1	0.4	110.9
14	A	28.4	Very low	27.6	Very low	100 Å²	100	144.8 Å²	144.8	83%	0.826	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-71.2	134.2	160.9	0	0	0	0	0	108.4	S16	A14-S16 PolarHBondContact O-N 3.06Å
15	K	31.8	Very low	27.6	Very low	206 Å²	206	149.1 Å²	149.1	90%	0.896	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-69.7	123.8	-172.6	-72	176.7	174.8	178.8	0	111.5
16	S	29.4	Very low	27.3	Very low	92 Å²	92	146 Å²	146	64%	0.643	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-77.8	126.9	163	54.5	0	0	0	0	110.4	A14	A14-S16 PolarHBondContact O-N 3.06Å
17	N	30.9	Very low	27.4	Very low	167 Å²	167	143 Å²	143	89%	0.893	81%	0.808	S	S	*	*			trans	-100.2	110	158.2	-85.9	-7	0	0	0	108.3
18	I	30.7	Very low	27	Very low	120 Å²	120	139.5 Å²	139.5	62%	0.615	79%	0.794	S	S	*	*			trans	-96.2	129.1	171.6	-68.6	168.5	0	0	0	106.8	H20	I18-H20 WeakPolarHBondContact CG2-CD2 3.42Å
19	I	29	Very low	26.7	Very low	174 Å²	174	142.8 Å²	142.8	89%	0.892	80%	0.8	S	S	*	*			trans	-112.9	120.6	157.6	-63.9	176.2	0	0	0	106
20	H	26.8	Very low	26.5	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.815	80%	0.796	S	S	*	*			trans	-107.8	138.2	176.3	-106.1	-71.4	0	0	0	110.7	I18	I18-H20 WeakPolarHBondContact CG2-CD2 3.42Å
21	G	24.6	Very low	26.4	Very low	69 Å²	69	135 Å²	135	71%	0.711	79%	0.791	S	S	*	*			trans	116.9	140.7	147.2	0	0	0	0	0	115.8
22	I	26.5	Very low	26.4	Very low	181 Å²	181	131.5 Å²	131.5	93%	0.928	79%	0.789	S	S	*	*			cis	-160.6	142.7	-4.4	-74.2	175.6	0	0	0	104.8
23	G	23.4	Very low	26.2	Very low	70 Å²	70	132.5 Å²	132.5	72%	0.722	79%	0.788	S	S	*	*			trans	161.4	104.1	164.2	0	0	0	0	0	114.1
24	A	22.9	Very low	26	Very low	105 Å²	105	129.1 Å²	129.1	87%	0.868	78%	0.781	S	S	*	*			trans	-70	132.9	176.3	0	0	0	0	0	112.2
25	I	27.2	Very low	25.6	Very low	160 Å²	160	130 Å²	130	82%	0.821	78%	0.775	S	S	*	*			trans	-138.7	119.5	158.6	-56.7	176.8	0	0	0	107
26	P	23.8	Very low	25.2	Very low	116 Å²	116	129.8 Å²	129.8	75%	0.753	77%	0.769	S	S	*	*			trans	-86.3	147.3	172.1	33.7	-28.6	0	0	0	110.7
27	S	26.8	Very low	25	Very low	122 Å²	122	128 Å²	128	85%	0.853	76%	0.76	S	S	*	*			trans	61.4	82.9	154	171.4	0	0	0	0	117.7
28	A	23.7	Very low	24.7	Very low	80 Å²	80	127.5 Å²	127.5	66%	0.661	76%	0.757	S	S	*	*	S	Bend	trans	-170.7	116.8	136.2	0	0	0	0	0	109.4	V30	A28-V30 PolarHBondContact O-N 3.05Å
29	T	23.5	Very low	24.4	Very low	142 Å²	142	129.2 Å²	129.2	87%	0.871	76%	0.757	S	S	*	*			trans	33.2	79.6	146.5	-0.2	0	0	0	0	116.2	P31	T29-P31 VanDerWaalsContact O-CD 3.3Å; T29-P31 WeakPolarHBondContact O-CD 3.49Å
30	V	22.9	Very low	24.2	Very low	128 Å²	128	129.6 Å²	129.6	78%	0.776	76%	0.755	S	S	*	*			trans	-77	114.9	170.2	178.7	0	0	0	0	108.3	A28 A32	A28-V30 PolarHBondContact O-N 3.05Å; V30-A32 PolarHBondContact O-N 3.18Å
31	P	24.2	Very low	24.3	Very low	103 Å²	103	124.9 Å²	124.9	67%	0.669	73%	0.732	S	S	*	*			trans	-69.7	131.1	162.3	30.7	-28.7	0	0	0	106.9	T29 I33	T29-P31 VanDerWaalsContact O-CD 3.3Å; T29-P31 WeakPolarHBondContact O-CD 3.49Å; P31-I33 PolarHBondContact O-N 3.09Å
32	A	23.4	Very low	24.5	Very low	81 Å²	81	127.3 Å²	127.3	67%	0.669	74%	0.738	S	S	*	*			trans	-53.7	100.8	179.4	0	0	0	0	0	110.5	V30 F34	V30-A32 PolarHBondContact O-N 3.18Å; A32-F34 VanDerWaalsContact C-N 3.29Å; A32-F34 HydrophobicContact CB-CD2 4.26Å; A32-F34 HydrophobicContact CB-CE2 4.34Å; A32-F34 PolarHBondContact O-N 3.38Å
33	I	21.8	Very low	24.6	Very low	145 Å²	145	121 Å²	121	74%	0.744	71%	0.71	S	S	*	*			trans	-70.2	94.9	166.4	-63.9	171.5	0	0	0	105.4	P31 V35	P31-I33 PolarHBondContact O-N 3.09Å; I33-V35 PolarHBondContact O-N 2.85Å
34	F	24.4	Very low	25	Very low	175 Å²	175	121.3 Å²	121.3	77%	0.768	71%	0.706	S	S	*	*			trans	-68	101.9	167.9	-97.5	-89.9	0	0	0	108.4	A32 W36	A32-F34 VanDerWaalsContact C-N 3.29Å; A32-F34 HydrophobicContact CB-CD2 4.26Å; A32-F34 HydrophobicContact CB-CE2 4.34Å; A32-F34 PolarHBondContact O-N 3.38Å; F34-W36 PolarHBondContact O-N 3.19Å; F34-W36 VanDerWaalsContact O-N 3.1Å
35	V	20.4	Very low	25.3	Very low	118 Å²	118	123.2 Å²	123.2	72%	0.715	70%	0.697	S	S	*	*			trans	-62	106.7	164.5	177.5	0	0	0	0	107.4	I33 A37	I33-V35 PolarHBondContact O-N 2.85Å; V35-A37 PolarHBondContact O-N 2.95Å
36	W	23.8	Very low	25.4	Very low	201 Å²	201	118.9 Å²	118.9	76%	0.761	68%	0.675	S	S	*	*			trans	-69.3	81.6	163.4	-100.1	58.9	0	0	0	108.2	F34 N38	F34-W36 PolarHBondContact O-N 3.19Å; F34-W36 VanDerWaalsContact O-N 3.1Å; W36-N38 PolarHBondContact O-N 3.49Å
37	A	23.4	Very low	25.8	Very low	55 Å²	55	116 Å²	116	46%	0.455	65%	0.653	S	S	.	*			trans	-67.5	126.9	164.2	0	0	0	0	0	107.7	V35 Y39	V35-A37 PolarHBondContact O-N 2.95Å; A37-Y39 HydrophobicContact CB-CD2 4.48Å; A37-Y39 HydrophobicContact CB-CE2 4.18Å; A37-Y39 VanDerWaalsContact O-CD2 3.25Å; A37-Y39 WeakPolarHBondContact O-CD2 3.34Å; A37-Y39 PolarHBondContact O-N 3.39Å
38	N	24.7	Very low	26.2	Very low	156 Å²	156	114.5 Å²	114.5	83%	0.834	64%	0.635	S	S	*	*			trans	-57.4	91.9	178	-73.3	-48.8	0	0	0	111.2	W36 H40	W36-N38 PolarHBondContact O-N 3.49Å; N38-H40 PolarHBondContact O-N 3.44Å
39	Y	25.6	Very low	26.4	Very low	156 Å²	156	114 Å²	114	61%	0.612	63%	0.627	S	S	*	*			trans	-85.4	97.8	169.5	-79.9	-84.6	0	0	0	109.4	A37 F41	A37-Y39 HydrophobicContact CB-CD2 4.48Å; A37-Y39 HydrophobicContact CB-CE2 4.18Å; A37-Y39 VanDerWaalsContact O-CD2 3.25Å; A37-Y39 WeakPolarHBondContact O-CD2 3.34Å; A37-Y39 PolarHBondContact O-N 3.39Å; Y39-F41 VanDerWaalsContact CB-CE2 3.46Å; Y39-F41 HydrophobicContact CD1-CE1 4.38Å; Y39-F41 HydrophobicContact CD1-CZ 4Å; Y39-F41 HydrophobicContact CG-CE2 4.25Å; Y39-F41 HydrophobicContact CG-CZ 4.05Å; Y39-F41 PolarHBondContact O-N 2.86Å
40	H	24.9	Very low	26.7	Very low	183 Å²	183	111.9 Å²	111.9	85%	0.847	61%	0.606	S	S	*	*			trans	-78.6	106.3	162.9	-102.5	-81.5	0	0	0	108.6	N38	N38-H40 PolarHBondContact O-N 3.44Å
41	F	29.5	Very low	27.1	Very low	77 Å²	77	110.1 Å²	110.1	34%	0.338	59%	0.586	S	S	.	*			trans	-89.9	119.1	171.8	-64.6	-79.1	0	0	0	109.8	Y39 S43 D46 L47 H50	Y39-F41 VanDerWaalsContact CB-CE2 3.46Å; Y39-F41 HydrophobicContact CD1-CE1 4.38Å; Y39-F41 HydrophobicContact CD1-CZ 4Å; Y39-F41 HydrophobicContact CG-CE2 4.25Å; Y39-F41 HydrophobicContact CG-CZ 4.05Å; Y39-F41 PolarHBondContact O-N 2.86Å; F41-S43 VanDerWaalsContact C-N 3.27Å; F41-S43 PolarHBondContact O-N 3.47Å; F41-D46 HydrophobicContact CD1-CB 4.26Å; F41-L47 HydrophobicContact CB-CD1 4.41Å; F41-L47 HydrophobicContact CD2-CD1 3.73Å; F41-L47 HydrophobicContact CE2-CD1 4.05Å; F41-L47 HydrophobicContact CG-CD1 3.97Å; F41-H50 HydrophobicContact CE1-CB 4.5Å
42	S	28.1	Very low	27.4	Very low	119 Å²	119	110.9 Å²	110.9	83%	0.832	59%	0.585	S	S	*	*	S	Bend	trans	-72.7	-20.4	-177.2	-42.5	0	0	0	0	112.9
43	S	28.3	Very low	27.7	Very low	49 Å²	49	111.2 Å²	111.2	34%	0.343	59%	0.588	S	S	.	*	S	Bend	trans	-154.9	156.9	-177.7	74.4	0	0	0	0	112.7	F41 Q45 D46	F41-S43 VanDerWaalsContact C-N 3.27Å; F41-S43 PolarHBondContact O-N 3.47Å; S43-Q45 PolarHBondContact O-N 2.91Å; S43-Q45 PolarHBondContact OG-N 3.47Å; S43-D46 PolarHBondContact N-OD2 3.18Å; S43-D46 PolarHBondContact O-N 3.16Å; S43-D46 VanDerWaalsContact OG-CG 3.24Å; S43-D46 PolarHBondContact OG-N 2.81Å; S43-D46 PolarHBondContact OG-OD2 2.9Å
44	A	31.1	Very low	28.3	Very low	77 Å²	77	108.5 Å²	108.5	64%	0.636	58%	0.582	S	S	*	*	H	α-helix	trans	-62.1	-22.6	172.3	0	0	0	0	0	112.7	I48	A44-I48 WeakPolarHBondContact O-CD1 3.36Å; A44-I48 WeakPolarHBondContact O-CG1 3.31Å; A44-I48 PolarHBondContact O-N 3.45Å
45	Q	29.5	Very low	28.7	Very low	144 Å²	144	103.5 Å²	103.5	67%	0.673	57%	0.573	S	S	*	*	H	α-helix	trans	-71.8	-38.9	177.2	-132.5	77.3	9.6	0	0	112	S43 L47 I48 S49	S43-Q45 PolarHBondContact O-N 2.91Å; S43-Q45 PolarHBondContact OG-N 3.47Å; Q45-L47 VanDerWaalsContact C-N 3.26Å; Q45-L47 PolarHBondContact O-N 3.18Å; Q45-I48 PolarHBondContact O-N 3.32Å; Q45-S49 PolarHBondContact O-N 2.81Å; Q45-S49 VanDerWaalsContact O-N 3.07Å; Q45-S49 PolarHBondContact O-OG 3.16Å
46	D	30.4	Very low	29	Very low	69 Å²	69	102.1 Å²	102.1	37%	0.369	57%	0.574	S	S	.	*	H	α-helix	trans	-66.3	-30.9	177.8	-65.2	-42.9	0	0	0	112	F41 S43 S49 H50	F41-D46 HydrophobicContact CD1-CB 4.26Å; S43-D46 PolarHBondContact N-OD2 3.18Å; S43-D46 PolarHBondContact O-N 3.16Å; S43-D46 VanDerWaalsContact OG-CG 3.24Å; S43-D46 PolarHBondContact OG-N 2.81Å; S43-D46 PolarHBondContact OG-OD2 2.9Å; D46-S49 PolarHBondContact O-OG 2.76Å; D46-S49 VanDerWaalsContact O-OG 3.1Å; D46-H50 WeakPolarHBondContact O-CB 3.44Å; D46-H50 PolarHBondContact O-N 3.46Å
47	L	32.6	Very low	29.3	Very low	55 Å²	55	96.7 Å²	96.7	29%	0.288	56%	0.564	S	S	.	*	H	α-helix	trans	-67.1	-47.6	175	-155.5	116.3	0	0	0	110.4	F41 Q45 S49 H50 Y51	F41-L47 HydrophobicContact CB-CD1 4.41Å; F41-L47 HydrophobicContact CD2-CD1 3.73Å; F41-L47 HydrophobicContact CE2-CD1 4.05Å; F41-L47 HydrophobicContact CG-CD1 3.97Å; Q45-L47 VanDerWaalsContact C-N 3.26Å; Q45-L47 PolarHBondContact O-N 3.18Å; L47-S49 PolarHBondContact O-N 2.8Å; L47-H50 PolarHBondContact O-N 2.82Å; L47-Y51 HydrophobicContact CD2-CD2 4.04Å; L47-Y51 HydrophobicContact CD2-CE2 3.71Å; L47-Y51 HydrophobicContact CG-CD2 4.14Å; L47-Y51 HydrophobicContact CG-CE2 3.78Å; L47-Y51 WeakPolarHBondContact O-CD2 3.34Å; L47-Y51 PolarHBondContact O-N 3.36Å
48	I	33.3	Very low	29.5	Very low	92 Å²	92	105.5 Å²	105.5	47%	0.472	59%	0.588	S	S	.	*	H	α-helix	trans	-65.9	-40.2	-177.8	-65.2	164.9	0	0	0	112	A44 Q45 Y51 N52	A44-I48 WeakPolarHBondContact O-CD1 3.36Å; A44-I48 WeakPolarHBondContact O-CG1 3.31Å; A44-I48 PolarHBondContact O-N 3.45Å; Q45-I48 PolarHBondContact O-N 3.32Å; I48-Y51 PolarHBondContact O-N 2.87Å; I48-N52 PolarHBondContact O-N 3.41Å; I48-N52 VanDerWaalsContact O-N 3.11Å
49	S	28.7	Very low	29.5	Very low	70 Å²	70	107.5 Å²	107.5	49%	0.49	59%	0.585	S	S	.	*	H	α-helix	trans	-67.8	-37.7	178.8	60.2	0	0	0	0	112.3	Q45 D46 L47 N52 A53	Q45-S49 PolarHBondContact O-N 2.81Å; Q45-S49 VanDerWaalsContact O-N 3.07Å; Q45-S49 PolarHBondContact O-OG 3.16Å; D46-S49 PolarHBondContact O-OG 2.76Å; D46-S49 VanDerWaalsContact O-OG 3.1Å; L47-S49 PolarHBondContact O-N 2.8Å; S49-N52 PolarHBondContact O-N 3.43Å; S49-A53 WeakPolarHBondContact O-CB 3.5Å; S49-A53 PolarHBondContact O-N 2.69Å
50	H	30.7	Very low	29.5	Very low	96 Å²	96	107.3 Å²	107.3	44%	0.444	59%	0.594	S	S	.	*	H	α-helix	trans	-67.3	-36.5	178.2	-141	-49.9	0	0	0	112.2	F41 D46 L47 S54	F41-H50 HydrophobicContact CE1-CB 4.5Å; D46-H50 WeakPolarHBondContact O-CB 3.44Å; D46-H50 PolarHBondContact O-N 3.46Å; L47-H50 PolarHBondContact O-N 2.82Å; H50-S54 PolarHBondContact O-OG 2.94Å; H50-S54 VanDerWaalsContact O-OG 3.1Å
51	Y	29.9	Very low	29.6	Very low	91 Å²	91	105.8 Å²	105.8	36%	0.357	59%	0.585	S	S	.	*	H	α-helix	trans	-74.4	-35.8	177.5	-79.5	-67.1	0	0	0	113.4	L47 I48 A53 A55 P88	L47-Y51 HydrophobicContact CD2-CD2 4.04Å; L47-Y51 HydrophobicContact CD2-CE2 3.71Å; L47-Y51 HydrophobicContact CG-CD2 4.14Å; L47-Y51 HydrophobicContact CG-CE2 3.78Å; L47-Y51 WeakPolarHBondContact O-CD2 3.34Å; L47-Y51 PolarHBondContact O-N 3.36Å; I48-Y51 PolarHBondContact O-N 2.87Å; Y51-A53 VanDerWaalsContact C-N 3.27Å; Y51-A53 PolarHBondContact O-N 2.87Å; Y51-A55 PolarHBondContact O-N 2.86Å; Y51-P88 HydrophobicContact CD1-CG 4.47Å
52	N	31.5	Very low	29.3	Very low	119 Å²	119	108.4 Å²	108.4	64%	0.636	60%	0.603	S	S	*	*	H	α-helix	trans	-69.3	-25.2	175.2	-77.4	-16.9	0	0	0	112.9	I48 S49	I48-N52 PolarHBondContact O-N 3.41Å; I48-N52 VanDerWaalsContact O-N 3.11Å; S49-N52 PolarHBondContact O-N 3.43Å
53	A	30.1	Very low	29.4	Very low	89 Å²	89	110.7 Å²	110.7	74%	0.736	61%	0.605	S	S	*	*	H	α-helix	trans	-81.2	-24.4	-179.7	0	0	0	0	0	113.9	S49 Y51	S49-A53 WeakPolarHBondContact O-CB 3.5Å; S49-A53 PolarHBondContact O-N 2.69Å; Y51-A53 VanDerWaalsContact C-N 3.27Å; Y51-A53 PolarHBondContact O-N 2.87Å
54	S	33.6	Very low	29.2	Very low	88 Å²	88	116.4 Å²	116.4	62%	0.615	63%	0.626	S	S	*	*	H	α-helix	trans	-108.5	-6.9	-173.9	55.5	0	0	0	0	115.4	H50 A56	H50-S54 PolarHBondContact O-OG 2.94Å; H50-S54 VanDerWaalsContact O-OG 3.1Å; S54-A56 PolarHBondContact O-N 2.82Å
55	A	32.9	Very low	29	Very low	70 Å²	70	122.3 Å²	122.3	58%	0.579	64%	0.638	S	S	*	*			trans	-89	81.6	177.7	0	0	0	0	0	111.8	Y51	Y51-A55 PolarHBondContact O-N 2.86Å
56	A	26	Very low	28.8	Very low	88 Å²	88	123.4 Å²	123.4	73%	0.727	64%	0.643	S	S	*	*			trans	-95.6	167.5	157.6	0	0	0	0	0	109.7	S54	S54-A56 PolarHBondContact O-N 2.82Å
57	P	30	Very low	28.6	Very low	88 Å²	88	125 Å²	125	57%	0.571	66%	0.658	S	S	*	*			cis	-123	177	-26.9	31.5	-11.7	0	0	0	111.5	Y59	P57-Y59 WeakPolarHBondContact O-CD2 3.44Å; P57-Y59 PolarHBondContact O-N 3.41Å
58	Y	27.8	Very low	28.2	Very low	240 Å²	240	131.3 Å²	131.3	94%	0.941	68%	0.683	S	S	*	*			trans	-42.4	104.8	175.9	-56.8	-92.3	0	0	0	114.8
59	Y	26.2	Very low	27.8	Very low	198 Å²	198	135.5 Å²	135.5	78%	0.776	70%	0.7	S	S	*	*			trans	-90.3	115.6	167.9	-83.1	-83.9	0	0	0	110.5	P57 F61	P57-Y59 WeakPolarHBondContact O-CD2 3.44Å; P57-Y59 PolarHBondContact O-N 3.41Å; Y59-F61 PolarHBondContact O-N 3.44Å
60	N	24.4	Very low	27.5	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	72%	0.717	S	S	*	*			trans	-79.5	103.8	172.6	-143.5	2.7	0	0	0	108.1	N62	N60-N62 PolarHBondContact O-N 3.43Å; N60-N62 VanDerWaalsContact O-N 3.13Å
61	F	26.4	Very low	27.1	Very low	150 Å²	150	146.2 Å²	146.2	66%	0.658	73%	0.733	S	S	*	*			trans	-76.1	97.2	177.1	-92.9	-90.6	0	0	0	109.8	Y59 L63	Y59-F61 PolarHBondContact O-N 3.44Å; F61-L63 PolarHBondContact O-N 3.39Å
62	N	24.2	Very low	26.9	Very low	133 Å²	133	150.4 Å²	150.4	71%	0.711	76%	0.76	S	S	*	*			trans	-74.6	104	164.1	-89.4	-2.9	0	0	0	109.3	N60 E64	N60-N62 PolarHBondContact O-N 3.43Å; N60-N62 VanDerWaalsContact O-N 3.13Å; N62-E64 PolarHBondContact O-N 3.47Å
63	L	30.3	Very low	26.5	Very low	166 Å²	166	152.3 Å²	152.3	87%	0.869	77%	0.769	S	S	*	*			trans	-82.5	44.4	-175.3	-138.6	125	0	0	0	111.9	F61	F61-L63 PolarHBondContact O-N 3.39Å
64	E	24.4	Very low	26.1	Very low	170 Å²	170	158.2 Å²	158.2	79%	0.794	77%	0.772	S	S	*	*			trans	-105.1	0.9	-173.4	-73.2	-170.5	161.4	0	0	115.2	N62	N62-E64 PolarHBondContact O-N 3.47Å
65	F	26.2	Very low	25.7	Very low	201 Å²	201	164 Å²	164	88%	0.882	78%	0.78	S	S	*	*			trans	-106.2	80.2	174.8	-87.6	-89.5	0	0	0	112.5
66	Q	25.3	Very low	25.3	Very low	166 Å²	166	166.2 Å²	166.2	78%	0.776	79%	0.787	S	S	*	*			trans	-139	109.9	152	-87.5	-161.7	0.2	0	0	110.1
67	P	26.7	Very low	25.1	Very low	104 Å²	104	169 Å²	169	68%	0.675	79%	0.79	S	S	*	*			trans	-88.8	121.4	158.3	34.6	-25.8	0	0	0	108.3
68	F	23.7	Very low	24.7	Very low	187 Å²	187	170.5 Å²	170.5	82%	0.82	80%	0.802	S	S	*	*	S	Bend	trans	75.7	72.3	164	-55.1	-81.4	0	0	0	119.3
69	H	25.5	Very low	24.5	Very low	180 Å²	180	163 Å²	163	83%	0.833	79%	0.785	S	S	*	*				-141.6	94.6	129.4	-87	-46.5	0	0	0	110.2
70	R	22.7	Very low	24.4	Very low	221 Å²	221	164.8 Å²	164.8	83%	0.834	79%	0.792	S	S	*	*			trans	-63.4	149.3	164.9	-89.3	175.9	169.2	170.6	-3.2	108.9
71	H	22.2	Very low	24.4	Very low	170 Å²	170	164.3 Å²	164.3	79%	0.787	78%	0.783	S	S	*	*			trans	92.8	77.6	172.6	-39.4	-52.2	0	0	0	115
72	L	24.7	Very low	24.4	Very low	178 Å²	178	161.3 Å²	161.3	93%	0.932	79%	0.786	S	S	*	*				-175.2	114.3	113.4	-90.9	158.1	0	0	0	109.2
73	I	23.8	Very low	24.6	Very low	160 Å²	160	162.2 Å²	162.2	82%	0.821	79%	0.79	S	S	*	*			trans	-80.2	141.4	179.6	-69.6	165.1	0	0	0	109.5
74	R	22.2	Very low	24.6	Very low	212 Å²	212	155 Å²	155	80%	0.8	75%	0.752	S	S	*	*			trans	83	138.3	159.9	-100.1	177.6	162	-177.9	-2.6	117.8
75	R	24	Very low	25	Very low	209 Å²	209	150.5 Å²	150.5	79%	0.789	74%	0.738	S	S	*	*			cis	-138	143	22.8	-78.8	-174.8	169.2	178	-3.5	114	N77	R75-N77 PolarHBondContact O-N 3.09Å
76	T	24.9	Very low	25.2	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.724	71%	0.712	S	S	*	*			trans	-41.5	118.3	148.5	46.6	0	0	0	0	112.6
77	N	21.8	Very low	25.4	Very low	147 Å²	147	143.3 Å²	143.3	79%	0.786	70%	0.701	S	S	*	*			trans	-171.6	106.5	140.2	-93.1	-12.7	0	0	0	108.1	R75 S79	R75-N77 PolarHBondContact O-N 3.09Å; N77-S79 VanDerWaalsContact C-N 3.31Å; N77-S79 PolarHBondContact O-N 2.74Å; N77-S79 PolarHBondContact O-OG 3.36Å
78	S	22.4	Very low	25.5	Very low	118 Å²	118	141.1 Å²	141.1	83%	0.825	69%	0.687	S	S	*	*			trans	-55.5	90.7	169.4	52	0	0	0	0	109.9
79	S	23.7	Very low	26	Very low	84 Å²	84	134.2 Å²	134.2	59%	0.587	66%	0.658	S	S	*	*			trans	-103.2	114	163.1	30.7	0	0	0	0	105.4	N77 F81	N77-S79 VanDerWaalsContact C-N 3.31Å; N77-S79 PolarHBondContact O-N 2.74Å; N77-S79 PolarHBondContact O-OG 3.36Å; S79-F81 VanDerWaalsContact C-N 3.3Å; S79-F81 PolarHBondContact O-N 3.45Å
80	Y	23.3	Very low	26.2	Very low	235 Å²	235	131.5 Å²	131.5	92%	0.922	65%	0.654	S	S	*	*			trans	-49.5	95.3	172.7	-68.7	-94.5	0	0	0	108.5	A82	Y80-A82 PolarHBondContact O-N 3.24Å
81	F	24.8	Very low	26.7	Very low	142 Å²	142	123.1 Å²	123.1	62%	0.623	62%	0.624	S	S	*	*			trans	-64.6	112.1	168.8	-94.5	-90.2	0	0	0	105.5	S79 L83	S79-F81 VanDerWaalsContact C-N 3.3Å; S79-F81 PolarHBondContact O-N 3.45Å; F81-L83 PolarHBondContact O-N 3.22Å
82	A	25.7	Very low	27.2	Very low	86 Å²	86	119 Å²	119	71%	0.711	62%	0.62	S	S	*	*			trans	-45.5	113.7	170.5	0	0	0	0	0	107.8	Y80 N84	Y80-A82 PolarHBondContact O-N 3.24Å; A82-N84 PolarHBondContact O-N 3.42Å; A82-N84 VanDerWaalsContact O-N 3.14Å
83	L	28.4	Very low	27.5	Very low	152 Å²	152	114 Å²	114	80%	0.796	60%	0.597	S	S	*	*			trans	-53.1	124.1	179.8	-77	163	0	0	0	107.5	F81 P85	F81-L83 PolarHBondContact O-N 3.22Å; L83-P85 WeakPolarHBondContact O-CD 3.22Å; L83-P85 VanDerWaalsContact O-N 3.15Å
84	N	30.6	Very low	27.9	Very low	14 Å²	14	115 Å²	115	8%	0.075	60%	0.598	C	S	.	*			trans	-52.3	119.5	178.6	172.7	13.5	0	0	0	109	A82 F86 Y87 G107	A82-N84 PolarHBondContact O-N 3.42Å; A82-N84 VanDerWaalsContact O-N 3.14Å; N84-F86 PolarHBondContact O-N 3.41Å; N84-F86 WeakPolarHBondContact OD1-CB 3.39Å; N84-F86 WeakPolarHBondContact OD1-CD2 3.23Å; N84-F86 PolarHBondContact OD1-N 2.8Å; N84-Y87 VanDerWaalsContact O-CB 3.3Å; N84-Y87 WeakPolarHBondContact O-CB 3.14Å; N84-Y87 PolarHBondContact O-N 2.85Å; N84-G107 VanDerWaalsContact ND2-CA 3.29Å; N84-G107 WeakPolarHBondContact ND2-CA 3.27Å; N84-G107 PolarHBondContact ND2-N 3.45Å
85	P	31.8	Very low	28.5	Very low	77 Å²	77	111.1 Å²	111.1	50%	0.5	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	-9.9	178.6	25.8	-33.4	0	0	0	112.7	L83 P88	L83-P85 WeakPolarHBondContact O-CD 3.22Å; L83-P85 VanDerWaalsContact O-N 3.15Å; P85-P88 WeakPolarHBondContact O-CD 3.25Å
86	F	31.2	Very low	29.1	Very low	77 Å²	77	103.8 Å²	103.8	34%	0.338	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.5	6.4	175.8	-52.2	-67	0	0	0	114	N84 P88 I89 A151	N84-F86 PolarHBondContact O-N 3.41Å; N84-F86 WeakPolarHBondContact OD1-CB 3.39Å; N84-F86 WeakPolarHBondContact OD1-CD2 3.23Å; N84-F86 PolarHBondContact OD1-N 2.8Å; F86-P88 VanDerWaalsContact C-N 3.25Å; F86-I89 HydrophobicContact CB-CD1 3.78Å; F86-I89 HydrophobicContact CB-CG1 4.06Å; F86-I89 HydrophobicContact CD1-CD1 3.79Å; F86-I89 HydrophobicContact CD1-CG1 4.35Å; F86-I89 HydrophobicContact CG-CD1 4.16Å; F86-I89 PolarHBondContact O-N 3.34Å; F86-I89 VanDerWaalsContact O-N 3.09Å; F86-A151 HydrophobicContact CB-CB 3.78Å; F86-A151 HydrophobicContact CD2-CB 4.06Å; F86-A151 HydrophobicContact CG-CB 4.11Å
87	Y	29.2	Very low	29.8	Very low	138 Å²	138	102.8 Å²	102.8	54%	0.541	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57	-32.3	170.5	-153	-99.5	0	0	0	113.4	N84 I89	N84-Y87 VanDerWaalsContact O-CB 3.3Å; N84-Y87 WeakPolarHBondContact O-CB 3.14Å; N84-Y87 PolarHBondContact O-N 2.85Å; Y87-I89 VanDerWaalsContact C-N 3.35Å
88	P	28.3	Very low	30.6	Very low	58 Å²	58	98.2 Å²	98.2	38%	0.377	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	19.7	174.4	36.6	-32.4	0	0	0	113.6	Y51 P85 F86 T90	Y51-P88 HydrophobicContact CD1-CG 4.47Å; P85-P88 WeakPolarHBondContact O-CD 3.25Å; F86-P88 VanDerWaalsContact C-N 3.25Å; P88-T90 PolarHBondContact O-N 3.07Å
89	I	34.2	Very low	31.8	Very low	43 Å²	43	97.8 Å²	97.8	22%	0.221	52%	0.519	C	S	.	.			trans	-69.6	76.4	157.1	-54.8	-179.8	0	0	0	106.5	F86 Y87 H91	F86-I89 HydrophobicContact CB-CD1 3.78Å; F86-I89 HydrophobicContact CB-CG1 4.06Å; F86-I89 HydrophobicContact CD1-CD1 3.79Å; F86-I89 HydrophobicContact CD1-CG1 4.35Å; F86-I89 HydrophobicContact CG-CD1 4.16Å; F86-I89 PolarHBondContact O-N 3.34Å; F86-I89 VanDerWaalsContact O-N 3.09Å; Y87-I89 VanDerWaalsContact C-N 3.35Å; I89-H91 PolarHBondContact O-CD2 2.93Å; I89-H91 VanDerWaalsContact O-CD2 3.31Å; I89-H91 PolarHBondContact O-N 3.49Å
90	T	31.4	Very low	32.8	Very low	122 Å²	122	96.6 Å²	96.6	75%	0.748	51%	0.506	S	S	*	.			trans	-61	92.9	158.2	41.3	0	0	0	0	105.5	P88 A92	P88-T90 PolarHBondContact O-N 3.07Å; T90-A92 PolarHBondContact O-N 3.33Å
91	H	33.4	Very low	33.8	Very low	45 Å²	45	88.7 Å²	88.7	21%	0.208	48%	0.475	C	S	.	.			trans	-54.8	132.5	173.2	-62.1	-77.8	0	0	0	107.7	I89 V93 Y111	I89-H91 PolarHBondContact O-CD2 2.93Å; I89-H91 VanDerWaalsContact O-CD2 3.31Å; I89-H91 PolarHBondContact O-N 3.49Å; H91-V93 CarbonylContact O-C 3.57Å; H91-V93 PolarHBondContact O-N 2.78Å; H91-Y111 PolarHBondContact CE1-OH 3.47Å; H91-Y111 PolarHBondContact NE2-OH 3.21Å; H91-Y111 VanDerWaalsContact NE2-OH 3.14Å
92	A	32.6	Very low	34.7	Very low	85 Å²	85	84 Å²	84	70%	0.702	46%	0.457	S	S	*	.	S	Bend	trans	-59.5	9.5	-174.5	0	0	0	0	0	115.6	T90	T90-A92 PolarHBondContact O-N 3.33Å
93	V	30.8	Very low	35.5	Very low	73 Å²	73	86.7 Å²	86.7	44%	0.442	46%	0.459	S	S	.	.	S	Bend	trans	-136.3	105.2	177.1	-175.3	0	0	0	0	106.6	H91 D95 Y96	H91-V93 CarbonylContact O-C 3.57Å; H91-V93 PolarHBondContact O-N 2.78Å; V93-D95 PolarHBondContact O-N 3.4Å; V93-Y96 HydrophobicContact CB-CD2 4.42Å; V93-Y96 HydrophobicContact CB-CE2 3.79Å; V93-Y96 HydrophobicContact CG1-CD2 4.31Å; V93-Y96 HydrophobicContact CG1-CE2 3.67Å; V93-Y96 HydrophobicContact CG2-CE2 4.35Å
94	E	31.8	Very low	36.1	Very low	181 Å²	181	88.1 Å²	88.1	85%	0.846	45%	0.454	S	S	*	.	S	Bend	trans	-55	133.7	162.7	-70	176.2	161.5	0	0	107.6
95	D	34.8	Very low	36.5	Very low	130 Å²	130	90.1 Å²	90.1	70%	0.695	47%	0.468	S	S	*	.			trans	74.2	84	174.7	-54.5	-27.2	0	0	0	118	V93	V93-D95 PolarHBondContact O-N 3.4Å
96	Y	37.2	Very low	36.9	Very low	54 Å²	54	89.9 Å²	89.9	21%	0.212	47%	0.466	C	S	.	.			trans	-109.4	109.7	145	-78.5	-78	0	0	0	109.1	V93 T98	V93-Y96 HydrophobicContact CB-CD2 4.42Å; V93-Y96 HydrophobicContact CB-CE2 3.79Å; V93-Y96 HydrophobicContact CG1-CD2 4.31Å; V93-Y96 HydrophobicContact CG1-CE2 3.67Å; V93-Y96 HydrophobicContact CG2-CE2 4.35Å; Y96-T98 PolarHBondContact O-N 2.85Å
97	P	37.9	Very low	37.3	Very low	98 Å²	98	86.4 Å²	86.4	64%	0.636	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	12.3	-164.1	26.5	-35.3	0	0	0	115.8
98	T	40.1	Very low	38	Very low	51 Å²	51	81.2 Å²	81.2	31%	0.313	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.8	10.4	-167.7	48.1	0	0	0	0	114.4	Y96 P112 W114	Y96-T98 PolarHBondContact O-N 2.85Å; T98-P112 VanDerWaalsContact OG1-CG 3.25Å; T98-P112 WeakPolarHBondContact OG1-CG 3.18Å; T98-W114 HydrophobicContact CG2-CZ2 4.29Å; T98-W114 WeakPolarHBondContact OG1-CZ2 3.23Å
99	R	46.6	Very low	38.9	Very low	108 Å²	108	80.2 Å²	80.2	41%	0.408	42%	0.422	S	S	.	.			trans	-69.2	132	169.8	64.4	-176.6	177.1	-176.3	-4.3	109.4	W109 S110 Y111	R99-W109 HydrophobicContact CB-CE3 4.32Å; R99-W109 HydrophobicContact CG-CE3 4.41Å; R99-W109 HydrophobicContact CG-CZ3 4.18Å; R99-S110 WeakPolarHBondContact CA-O 3.07Å; R99-Y111 HydrophobicContact CB-CD1 4.13Å; R99-Y111 HydrophobicContact CB-CE1 3.84Å
100	N	44.8	Very low	39.5	Very low	60 Å²	60	78.8 Å²	78.8	32%	0.321	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.5	167.1	-50.4	-77.1	0	0	0	109.1	S110 R146	N100-S110 WeakPolarHBondContact CB-OG 3.2Å; N100-S110 PolarHBondContact N-O 3.42Å; N100-S110 PolarHBondContact O-N 3.4Å; N100-S110 PolarHBondContact O-OG 3.29Å; N100-R146 PolarHBondContact ND2-NH1 3.45Å; N100-R146 VanDerWaalsContact ND2-NH1 3.19Å; N100-R146 PolarHBondContact ND2-NH2 2.78Å; N100-R146 VanDerWaalsContact ND2-NH2 3.16Å
101	Y	44.3	Very low	40.1	Very low	68 Å²	68	73.1 Å²	73.1	27%	0.267	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134	169.2	-171.6	-103.8	0	0	0	109	L103 G107 W109	Y101-L103 HydrophobicContact CD1-CD2 4.48Å; Y101-L103 PolarHBondContact O-N 3.35Å; Y101-G107 PolarHBondContact OH-N 3.1Å; Y101-W109 AromaticContact CD2-CD2 3.78Å; Y101-W109 HydrophobicContact CD2-CD2 3.78Å; Y101-W109 AromaticContact CD2-CE2 3.58Å; Y101-W109 HydrophobicContact CD2-CE3 4.03Å; Y101-W109 HydrophobicContact CD2-CG 4.41Å; Y101-W109 AromaticContact CD2-CH2 3.92Å; Y101-W109 HydrophobicContact CD2-CH2 3.92Å; Y101-W109 AromaticContact CD2-CZ2 3.67Å; Y101-W109 HydrophobicContact CD2-CZ2 3.67Å; Y101-W109 HydrophobicContact CD2-CZ3 4.1Å; Y101-W109 HydrophobicContact CE2-CZ2 4.21Å; Y101-W109 HydrophobicContact CG-CH2 4.43Å; Y101-W109 HydrophobicContact CG-CZ3 4.43Å
102	D	44.7	Very low	40.4	Very low	44 Å²	44	71.5 Å²	71.5	24%	0.235	37%	0.374	C	S	.	.			trans	-79.5	111.3	172.9	-175.5	-3.2	0	0	0	109.5	Y104 T105 L108	D102-Y104 PolarHBondContact O-N 3.49Å; D102-Y104 PolarHBondContact OD1-N 3.41Å; D102-T105 PolarHBondContact O-N 3.42Å; D102-T105 VanDerWaalsContact O-O 3.14Å; D102-T105 PolarHBondContact OD1-N 3.39Å; D102-T105 VanDerWaalsContact OD2-CB 3.29Å; D102-T105 WeakPolarHBondContact OD2-CB 3.18Å; D102-T105 PolarHBondContact OD2-OG1 2.78Å; D102-L108 HydrophobicContact CB-CB 4.08Å; D102-L108 HydrophobicContact CB-CD2 3.53Å; D102-L108 HydrophobicContact CB-CG 4.42Å; D102-L108 PolarHBondContact N-O 3.49Å
103	L	41.8	Very low	40.7	Very low	143 Å²	143	69.7 Å²	69.7	75%	0.749	35%	0.353	S	S	*	.	S	Bend	trans	-67.3	-21.2	179.6	-68.1	168.5	0	0	0	112.9	Y101	Y101-L103 HydrophobicContact CD1-CD2 4.48Å; Y101-L103 PolarHBondContact O-N 3.35Å
104	Y	40	Very low	41	Very low	181 Å²	181	70.2 Å²	70.2	71%	0.71	35%	0.347	S	S	*	.	S	Bend	trans	-96.4	-15.8	-176.7	-59.1	-76	0	0	0	112.9	D102	D102-Y104 PolarHBondContact O-N 3.49Å; D102-Y104 PolarHBondContact OD1-N 3.41Å
105	T	39.9	Very low	41.4	Very low	57 Å²	57	63.4 Å²	63.4	35%	0.35	31%	0.314	S	S	.	.	S	Bend	trans	-126.4	102.6	-179.6	-44.2	0	0	0	0	110.2	D102 G107 L108	D102-T105 PolarHBondContact O-N 3.42Å; D102-T105 VanDerWaalsContact O-O 3.14Å; D102-T105 PolarHBondContact OD1-N 3.39Å; D102-T105 VanDerWaalsContact OD2-CB 3.29Å; D102-T105 WeakPolarHBondContact OD2-CB 3.18Å; D102-T105 PolarHBondContact OD2-OG1 2.78Å; T105-G107 PolarHBondContact O-N 3.28Å; T105-L108 HydrophobicContact CG2-CB 4.14Å; T105-L108 HydrophobicContact CG2-CD1 4.31Å; T105-L108 PolarHBondContact O-N 3.25Å
106	P	39.5	Very low	41.6	Very low	71 Å²	71	60.2 Å²	60.2	46%	0.461	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	133	179.2	24.6	-32.3	0	0	0	110.4
107	G	40.1	Very low	41.5	Very low	5 Å²	5	62.8 Å²	62.8	5%	0.052	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	24.9	-179.3	0	0	0	0	0	114.8	N84 Y101 T105 A151	N84-G107 VanDerWaalsContact ND2-CA 3.29Å; N84-G107 WeakPolarHBondContact ND2-CA 3.27Å; N84-G107 PolarHBondContact ND2-N 3.45Å; Y101-G107 PolarHBondContact OH-N 3.1Å; T105-G107 PolarHBondContact O-N 3.28Å; G107-A151 WeakPolarHBondContact O-CA 3.47Å; G107-A151 WeakPolarHBondContact O-CB 3.42Å; G107-A151 PolarHBondContact O-N 2.57Å
108	L	43.6	Very low	41.1	Very low	28 Å²	28	62.4 Å²	62.4	15%	0.147	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.5	175.3	-167.6	137.3	0	0	0	111.5	D102 T105 L150	D102-L108 HydrophobicContact CB-CB 4.08Å; D102-L108 HydrophobicContact CB-CD2 3.53Å; D102-L108 HydrophobicContact CB-CG 4.42Å; D102-L108 PolarHBondContact N-O 3.49Å; T105-L108 HydrophobicContact CG2-CB 4.14Å; T105-L108 HydrophobicContact CG2-CD1 4.31Å; T105-L108 PolarHBondContact O-N 3.25Å; L108-L150 HydrophobicContact CD1-CD2 4.05Å; L108-L150 HydrophobicContact CD1-CG 4.39Å
109	W	47.9	Very low	40.7	Very low	37 Å²	37	65.2 Å²	65.2	14%	0.14	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.2	177.6	-69.6	97	0	0	0	109.2	R99 Y101 Y111 Y149	R99-W109 HydrophobicContact CB-CE3 4.32Å; R99-W109 HydrophobicContact CG-CE3 4.41Å; R99-W109 HydrophobicContact CG-CZ3 4.18Å; Y101-W109 AromaticContact CD2-CD2 3.78Å; Y101-W109 HydrophobicContact CD2-CD2 3.78Å; Y101-W109 AromaticContact CD2-CE2 3.58Å; Y101-W109 HydrophobicContact CD2-CE3 4.03Å; Y101-W109 HydrophobicContact CD2-CG 4.41Å; Y101-W109 AromaticContact CD2-CH2 3.92Å; Y101-W109 HydrophobicContact CD2-CH2 3.92Å; Y101-W109 AromaticContact CD2-CZ2 3.67Å; Y101-W109 HydrophobicContact CD2-CZ2 3.67Å; Y101-W109 HydrophobicContact CD2-CZ3 4.1Å; Y101-W109 HydrophobicContact CE2-CZ2 4.21Å; Y101-W109 HydrophobicContact CG-CH2 4.43Å; Y101-W109 HydrophobicContact CG-CZ3 4.43Å; W109-Y111 HydrophobicContact CB-CD2 4.4Å; W109-Y111 HydrophobicContact CB-CE2 3.54Å; W109-Y149 PolarHBondContact N-O 3.43Å; W109-Y149 PolarHBondContact O-N 3.36Å
110	S	46.8	Very low	40	Very low	13 Å²	13	64.8 Å²	64.8	9%	0.091	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131	171.7	64.5	0	0	0	0	110.2	R99 N100	R99-S110 WeakPolarHBondContact CA-O 3.07Å; N100-S110 WeakPolarHBondContact CB-OG 3.2Å; N100-S110 PolarHBondContact N-O 3.42Å; N100-S110 PolarHBondContact O-N 3.4Å; N100-S110 PolarHBondContact O-OG 3.29Å
111	Y	43.1	Very low	39.3	Very low	3 Å²	3	64.7 Å²	64.7	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.1	174.8	-63.4	-84.6	0	0	0	109	H91 R99 W109 K115 A147 Y149 M154	H91-Y111 PolarHBondContact CE1-OH 3.47Å; H91-Y111 PolarHBondContact NE2-OH 3.21Å; H91-Y111 VanDerWaalsContact NE2-OH 3.14Å; R99-Y111 HydrophobicContact CB-CD1 4.13Å; R99-Y111 HydrophobicContact CB-CE1 3.84Å; W109-Y111 HydrophobicContact CB-CD2 4.4Å; W109-Y111 HydrophobicContact CB-CE2 3.54Å; Y111-K115 HydrophobicContact CD1-CD 3.54Å; Y111-K115 HydrophobicContact CE1-CD 4.31Å; Y111-K115 HydrophobicContact CG-CD 3.92Å; Y111-A147 PolarHBondContact N-O 2.94Å; Y111-A147 CarbonylContact O-C 3.59Å; Y111-A147 PolarHBondContact O-N 3.14Å; Y111-Y149 HydrophobicContact CD2-CD2 4.26Å; Y111-M154 HydrophobicContact CD2-SD 4.03Å; Y111-M154 HydrophobicContact CE1-SD 4.21Å; Y111-M154 HydrophobicContact CE2-CE 4.24Å; Y111-M154 HydrophobicContact CE2-CG 4.31Å; Y111-M154 HydrophobicContact CE2-SD 3.18Å; Y111-M154 WeakPolarHBondContact CE2-SD 3.49Å; Y111-M154 PolarHBondContact OH-SD 3.21Å
112	P	39.4	Very low	38.6	Very low	11 Å²	11	67.8 Å²	67.8	7%	0.071	35%	0.351	C	S	.	.			trans	-68.8	140.6	171.6	32.9	-37.4	0	0	0	110	T98 W114 K115	T98-P112 VanDerWaalsContact OG1-CG 3.25Å; T98-P112 WeakPolarHBondContact OG1-CG 3.18Å; P112-W114 VanDerWaalsContact CB-CD1 3.44Å; P112-W114 HydrophobicContact CB-CD2 4.48Å; P112-W114 HydrophobicContact CB-CG 4.21Å; P112-W114 HydrophobicContact CG-CD2 4.07Å; P112-W114 HydrophobicContact CG-CG 4.31Å; P112-W114 HydrophobicContact CG-CZ2 3.64Å; P112-W114 PolarHBondContact O-N 3.4Å; P112-K115 VanDerWaalsContact O-CB 3.29Å; P112-K115 WeakPolarHBondContact O-CB 3.23Å; P112-K115 PolarHBondContact O-N 3.33Å
113	L	40.8	Very low	37.9	Very low	48 Å²	48	77.5 Å²	77.5	25%	0.251	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.1	-173.1	-162	84.3	0	0	0	112.5	K115 Y116 L117 L144 A147	L113-K115 PolarHBondContact O-N 3.07Å; L113-K115 VanDerWaalsContact O-N 3.12Å; L113-Y116 PolarHBondContact O-N 3.11Å; L113-L117 HydrophobicContact CD2-CD1 4.25Å; L113-L144 HydrophobicContact CD2-CB 4.18Å; L113-L144 HydrophobicContact CD2-CD1 4.14Å; L113-A147 HydrophobicContact CD1-CB 3.68Å
114	W	36.6	Very low	37.3	Very low	84 Å²	84	73.5 Å²	73.5	32%	0.318	37%	0.368	S	S	.	.	H	α-helix	trans	-58.7	-24.2	178.4	64.6	-109	0	0	0	113.4	T98 P112 Y116 L117 Y118	T98-W114 HydrophobicContact CG2-CZ2 4.29Å; T98-W114 WeakPolarHBondContact OG1-CZ2 3.23Å; P112-W114 VanDerWaalsContact CB-CD1 3.44Å; P112-W114 HydrophobicContact CB-CD2 4.48Å; P112-W114 HydrophobicContact CB-CG 4.21Å; P112-W114 HydrophobicContact CG-CD2 4.07Å; P112-W114 HydrophobicContact CG-CG 4.31Å; P112-W114 HydrophobicContact CG-CZ2 3.64Å; P112-W114 PolarHBondContact O-N 3.4Å; W114-Y116 PolarHBondContact O-N 3.48Å; W114-Y116 VanDerWaalsContact O-N 3.15Å; W114-L117 PolarHBondContact O-N 3.09Å; W114-L117 VanDerWaalsContact O-N 3.15Å; W114-Y118 HydrophobicContact CB-CD2 4.41Å; W114-Y118 WeakPolarHBondContact O-CD2 3.44Å; W114-Y118 PolarHBondContact O-N 3.5Å
115	K	38.8	Very low	36.9	Very low	37 Å²	37	70.5 Å²	70.5	16%	0.161	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-27.1	175.2	-175.8	179.3	175.7	-176.8	0	112.9	Y111 P112 L113	Y111-K115 HydrophobicContact CD1-CD 3.54Å; Y111-K115 HydrophobicContact CE1-CD 4.31Å; Y111-K115 HydrophobicContact CG-CD 3.92Å; P112-K115 VanDerWaalsContact O-CB 3.29Å; P112-K115 WeakPolarHBondContact O-CB 3.23Å; P112-K115 PolarHBondContact O-N 3.33Å; L113-K115 PolarHBondContact O-N 3.07Å; L113-K115 VanDerWaalsContact O-N 3.12Å
116	Y	39.6	Very low	36.3	Very low	63 Å²	63	74.5 Å²	74.5	25%	0.247	37%	0.366	C	S	.	.	H	α-helix	trans	-101.7	-11	-178.4	-57.9	-78.5	0	0	0	113.2	L113 W114 Y149 L161	L113-Y116 PolarHBondContact O-N 3.11Å; W114-Y116 PolarHBondContact O-N 3.48Å; W114-Y116 VanDerWaalsContact O-N 3.15Å; Y116-Y149 HydrophobicContact CD2-CE2 4.11Å; Y116-Y149 HydrophobicContact CE2-CD2 4.04Å; Y116-Y149 AromaticContact CE2-CE2 3.22Å; Y116-Y149 HydrophobicContact CE2-CE2 3.22Å; Y116-Y149 AromaticContact CE2-CZ 3.63Å; Y116-Y149 AromaticContact CZ-CE2 3.58Å; Y116-Y149 AromaticContact CZ-CZ 3.84Å; Y116-Y149 WeakPolarHBondContact OH-CD2 3.46Å; Y116-Y149 WeakPolarHBondContact OH-CE2 3.38Å; Y116-L161 VanDerWaalsContact O-CD1 3.26Å; Y116-L161 WeakPolarHBondContact O-CD1 3.43Å
117	L	34.8	Very low	35.7	Very low	108 Å²	108	81.3 Å²	81.3	57%	0.565	38%	0.384	S	S	*	.	H	α-helix	trans	-88.1	-16	178.2	-66.3	171.5	0	0	0	111.9	L113 W114	L113-L117 HydrophobicContact CD2-CD1 4.25Å; W114-L117 PolarHBondContact O-N 3.09Å; W114-L117 VanDerWaalsContact O-N 3.15Å
118	Y	29.3	Very low	35.2	Very low	91 Å²	91	89.5 Å²	89.5	36%	0.357	41%	0.413	S	S	.	.	S	Bend	trans	-128.9	123.4	-174.7	-65.5	-76.6	0	0	0	111	W114 P120 Y125 Y139	W114-Y118 HydrophobicContact CB-CD2 4.41Å; W114-Y118 WeakPolarHBondContact O-CD2 3.44Å; W114-Y118 PolarHBondContact O-N 3.5Å; Y118-P120 WeakPolarHBondContact O-CD 3.37Å; Y118-Y125 AromaticContact CD1-CE2 3.95Å; Y118-Y125 HydrophobicContact CD1-CE2 3.95Å; Y118-Y125 HydrophobicContact CG-CE2 4.16Å; Y118-Y139 PolarHBondContact OH-OH 3.05Å
119	D	31.6	Very low	34.4	Very low	109 Å²	109	98.1 Å²	98.1	58%	0.583	45%	0.449	S	S	*	.			trans	-64.7	120.8	178.6	-165.1	-18.8	0	0	0	110	G121 H122	D119-G121 PolarHBondContact O-N 2.97Å; D119-G121 VanDerWaalsContact O-N 3.08Å; D119-G121 PolarHBondContact OD1-N 2.82Å; D119-H122 PolarHBondContact O-N 3.03Å
120	P	32.9	Very low	33.6	Very low	99 Å²	99	107.5 Å²	107.5	64%	0.643	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.3	176.1	25.5	-33.2	0	0	0	113	Y118 H122	Y118-P120 WeakPolarHBondContact O-CD 3.37Å; P120-H122 PolarHBondContact O-N 2.74Å
121	G	30.2	Very low	32.8	Very low	59 Å²	59	113 Å²	113	61%	0.608	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.5	170.5	0	0	0	0	0	114.5	D119 R123	D119-G121 PolarHBondContact O-N 2.97Å; D119-G121 VanDerWaalsContact O-N 3.08Å; D119-G121 PolarHBondContact OD1-N 2.82Å; G121-R123 PolarHBondContact O-N 2.93Å; G121-R123 VanDerWaalsContact O-N 3.07Å
122	H	30.1	Very low	32.3	Very low	132 Å²	132	116.9 Å²	116.9	61%	0.611	53%	0.534	S	S	*	.			trans	-80	93.7	175.5	-120	-70.3	0	0	0	109.8	D119 P120 S124	D119-H122 PolarHBondContact O-N 3.03Å; P120-H122 PolarHBondContact O-N 2.74Å; H122-S124 PolarHBondContact ND1-OG 2.95Å; H122-S124 PolarHBondContact O-N 3.31Å
123	R	29.9	Very low	31.9	Very low	249 Å²	249	121.8 Å²	121.8	94%	0.94	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	14	170.6	-77	-176.7	173	177.9	-1.8	115.6	G121	G121-R123 PolarHBondContact O-N 2.93Å; G121-R123 VanDerWaalsContact O-N 3.07Å
124	S	29.2	Very low	31.3	Very low	59 Å²	59	124.2 Å²	124.2	41%	0.413	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.9	-6.4	-177.7	44.3	0	0	0	0	114.6	H122	H122-S124 PolarHBondContact ND1-OG 2.95Å; H122-S124 PolarHBondContact O-N 3.31Å
125	Y	31.4	Very low	30.9	Very low	118 Å²	118	129.8 Å²	129.8	46%	0.463	62%	0.618	S	S	.	*	S	Bend	trans	-91.2	-12.7	-166.5	-106.7	-83.8	0	0	0	117.1	Y118	Y118-Y125 AromaticContact CD1-CE2 3.95Å; Y118-Y125 HydrophobicContact CD1-CE2 3.95Å; Y118-Y125 HydrophobicContact CG-CE2 4.16Å
126	Y	27.7	Very low	30.3	Very low	141 Å²	141	133.8 Å²	133.8	55%	0.553	65%	0.651	S	S	*	*	S	Bend	trans	-125.4	-2.1	-178	-71.3	-78.2	0	0	0	115.4
127	Y	25.5	Very low	29.6	Very low	213 Å²	213	136.3 Å²	136.3	84%	0.835	67%	0.672	S	S	*	*			trans	-141.4	73.4	179.5	-74.1	-86.1	0	0	0	112.6
128	R	29.3	Very low	29.1	Very low	177 Å²	177	135.6 Å²	135.6	67%	0.668	67%	0.674	S	S	*	*			trans	-134.6	83.7	152.4	-99.8	-169.7	179	-176.1	0.9	109.7	D132	R128-D132 IonicContact NH1-OD1 3.49Å; R128-D132 PolarHBondContact NH1-OD1 3.49Å
129	K	28.2	Very low	29.2	Very low	209 Å²	209	138.8 Å²	138.8	91%	0.909	69%	0.686	S	S	*	*	S	Bend	trans	-91.4	14.9	-178.6	-133.8	-177.8	-173.4	-177.9	0	113.5
130	R	30.8	Very low	28.8	Very low	235 Å²	235	142.4 Å²	142.4	89%	0.887	69%	0.693	S	S	*	*	S	Bend	trans	-156.5	-12.9	-177.2	-115.6	164.9	-170.7	-176.5	0.2	121.9
131	D	29.1	Very low	28.6	Very low	129 Å²	129	142.1 Å²	142.1	69%	0.69	69%	0.691	S	S	*	*			trans	-120.6	5	-165.7	-69.5	-24.4	0	0	0	118.6	A133	D131-A133 PolarHBondContact O-N 2.99Å
132	D	33.1	Very low	28.5	Very low	83 Å²	83	142.1 Å²	142.1	44%	0.444	68%	0.682	S	S	.	*			trans	-95.9	46.1	-176.1	-72.8	-28.6	0	0	0	114	R128 S134	R128-D132 IonicContact NH1-OD1 3.49Å; R128-D132 PolarHBondContact NH1-OD1 3.49Å; D132-S134 PolarHBondContact O-N 2.95Å; D132-S134 VanDerWaalsContact O-N 3.14Å
133	A	32.2	Very low	28.5	Very low	114 Å²	114	146.1 Å²	146.1	94%	0.942	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	0.4	168.8	0	0	0	0	0	113.7	D131	D131-A133 PolarHBondContact O-N 2.99Å
134	S	28	Very low	28.5	Very low	100 Å²	100	138.1 Å²	138.1	70%	0.699	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	8.2	-171	59.9	0	0	0	0	115.5	D132	D132-S134 PolarHBondContact O-N 2.95Å; D132-S134 VanDerWaalsContact O-N 3.14Å
135	R	28	Very low	28.9	Very low	201 Å²	201	142.2 Å²	142.2	76%	0.758	68%	0.678	S	S	*	*			trans	-120.5	85.2	174.9	-76.4	-177.6	171.5	-179.8	-2.4	111.2	V137	R135-V137 PolarHBondContact O-N 3.23Å
136	S	25.7	Very low	29	Very low	121 Å²	121	143 Å²	143	85%	0.846	68%	0.68	S	S	*	*			trans	-68.6	37.1	178.4	60.7	0	0	0	0	114.8
137	V	24.7	Very low	29.4	Very low	115 Å²	115	136.4 Å²	136.4	70%	0.697	65%	0.654	S	S	*	*			trans	-126.2	108.3	171.9	-168.8	0	0	0	0	107.8	R135 Y139	R135-V137 PolarHBondContact O-N 3.23Å; V137-Y139 PolarHBondContact O-N 3.23Å
138	P	25.4	Very low	30	Very low	94 Å²	94	129.4 Å²	129.4	61%	0.61	64%	0.637	S	S	*	*			trans	-61	109.1	169.7	19.3	-20.3	0	0	0	107	Y140	P138-Y140 VanDerWaalsContact C-N 3.28Å; P138-Y140 HydrophobicContact CB-CE2 4.32Å; P138-Y140 HydrophobicContact CG-CE2 4.21Å; P138-Y140 WeakPolarHBondContact O-CD2 3.44Å; P138-Y140 PolarHBondContact O-N 3.43Å
139	Y	30.2	Very low	30.4	Very low	157 Å²	157	123.6 Å²	123.6	62%	0.616	62%	0.615	S	S	*	*			trans	-69.1	90.4	178.2	-171	-97.9	0	0	0	108	Y118 V137 P141	Y118-Y139 PolarHBondContact OH-OH 3.05Å; V137-Y139 PolarHBondContact O-N 3.23Å; Y139-P141 VanDerWaalsContact O-CD 3.27Å; Y139-P141 WeakPolarHBondContact O-CD 3.42Å
140	Y	23.5	Very low	30.8	Very low	186 Å²	186	117 Å²	117	73%	0.729	59%	0.589	S	S	*	*			trans	-66.2	115	169.7	-82.9	-86.8	0	0	0	107.5	P138 S142	P138-Y140 VanDerWaalsContact C-N 3.28Å; P138-Y140 HydrophobicContact CB-CE2 4.32Å; P138-Y140 HydrophobicContact CG-CE2 4.21Å; P138-Y140 WeakPolarHBondContact O-CD2 3.44Å; P138-Y140 PolarHBondContact O-N 3.43Å; Y140-S142 PolarHBondContact O-N 2.75Å; Y140-S142 VanDerWaalsContact O-N 3.16Å
141	P	29.6	Very low	31	Very low	92 Å²	92	106.4 Å²	106.4	60%	0.597	55%	0.552	S	S	*	*			trans	-55.7	128.6	169.8	23.8	-30.9	0	0	0	107	Y139 R143	Y139-P141 VanDerWaalsContact O-CD 3.27Å; Y139-P141 WeakPolarHBondContact O-CD 3.42Å; P141-R143 PolarHBondContact O-N 2.79Å
142	S	27.9	Very low	31.2	Very low	59 Å²	59	102.4 Å²	102.4	41%	0.413	54%	0.541	S	S	.	.			trans	-45	132.5	178.4	63.3	0	0	0	0	109.2	Y140 L144	Y140-S142 PolarHBondContact O-N 2.75Å; Y140-S142 VanDerWaalsContact O-N 3.16Å; S142-L144 PolarHBondContact O-N 2.84Å
143	R	29.2	Very low	31.3	Very low	216 Å²	216	103.1 Å²	103.1	82%	0.815	54%	0.542	S	S	*	.	S	Bend	trans	-62.4	15.6	173.3	-63.9	-177.8	178.8	-178.8	-0.4	113.6	P141 F145	P141-R143 PolarHBondContact O-N 2.79Å; R143-F145 HydrophobicContact CB-CD2 4.26Å; R143-F145 HydrophobicContact CB-CE2 3.78Å; R143-F145 HydrophobicContact CG-CE2 4.11Å; R143-F145 WeakPolarHBondContact O-CD2 3.29Å; R143-F145 PolarHBondContact O-N 3.2Å
144	L	31	Very low	31.4	Very low	81 Å²	81	99.9 Å²	99.9	42%	0.424	51%	0.508	S	S	.	.			trans	-83.8	84.5	171.2	-64.4	172.1	0	0	0	107.6	L113 S142 R146 P180	L113-L144 HydrophobicContact CD2-CB 4.18Å; L113-L144 HydrophobicContact CD2-CD1 4.14Å; S142-L144 PolarHBondContact O-N 2.84Å; L144-R146 PolarHBondContact O-N 3.04Å; L144-P180 HydrophobicContact CD2-CG 3.47Å; L144-P180 VanDerWaalsContact CD2-CG 3.47Å
145	F	35.6	Very low	31.9	Very low	145 Å²	145	100.8 Å²	100.8	64%	0.636	51%	0.505	S	S	*	.			trans	-77.1	-18	-153.6	-90.6	-75.8	0	0	0	117.7	R143	R143-F145 HydrophobicContact CB-CD2 4.26Å; R143-F145 HydrophobicContact CB-CE2 3.78Å; R143-F145 HydrophobicContact CG-CE2 4.11Å; R143-F145 WeakPolarHBondContact O-CD2 3.29Å; R143-F145 PolarHBondContact O-N 3.2Å
146	R	35.4	Very low	32	Very low	136 Å²	136	99.1 Å²	99.1	51%	0.513	50%	0.5	S	S	.	.			trans	-170.9	151.8	177.6	-90.9	123.5	-168	-128.6	6.9	110.2	N100 L144 Y182	N100-R146 PolarHBondContact ND2-NH1 3.45Å; N100-R146 VanDerWaalsContact ND2-NH1 3.19Å; N100-R146 PolarHBondContact ND2-NH2 2.78Å; N100-R146 VanDerWaalsContact ND2-NH2 3.16Å; L144-R146 PolarHBondContact O-N 3.04Å; R146-Y182 WeakPolarHBondContact O-CE2 3.27Å
147	A	36	Very low	32.2	Very low	1 Å²	1	101.1 Å²	101.1	1%	0.008	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.3	163	0	0	0	0	0	109.5	Y111 L113 Y149 Y182	Y111-A147 PolarHBondContact N-O 2.94Å; Y111-A147 CarbonylContact O-C 3.59Å; Y111-A147 PolarHBondContact O-N 3.14Å; L113-A147 HydrophobicContact CD1-CB 3.68Å; A147-Y149 HydrophobicContact CB-CD2 4.31Å; A147-Y149 HydrophobicContact CB-CE2 3.43Å; A147-Y149 VanDerWaalsContact CB-CE2 3.43Å; A147-Y149 WeakPolarHBondContact O-CD2 3.3Å; A147-Y182 WeakPolarHBondContact CA-OH 3.36Å
148	S	37.4	Very low	32.5	Very low	67 Å²	67	100.2 Å²	100.2	47%	0.469	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127	-178.7	-59.9	0	0	0	0	109.9
149	Y	37	Very low	32.7	Very low	55 Å²	55	103 Å²	103	22%	0.216	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.6	179.5	-63.6	-89.8	0	0	0	110.5	W109 Y111 Y116 A147	W109-Y149 PolarHBondContact N-O 3.43Å; W109-Y149 PolarHBondContact O-N 3.36Å; Y111-Y149 HydrophobicContact CD2-CD2 4.26Å; Y116-Y149 HydrophobicContact CD2-CE2 4.11Å; Y116-Y149 HydrophobicContact CE2-CD2 4.04Å; Y116-Y149 AromaticContact CE2-CE2 3.22Å; Y116-Y149 HydrophobicContact CE2-CE2 3.22Å; Y116-Y149 AromaticContact CE2-CZ 3.63Å; Y116-Y149 AromaticContact CZ-CE2 3.58Å; Y116-Y149 AromaticContact CZ-CZ 3.84Å; Y116-Y149 WeakPolarHBondContact OH-CD2 3.46Å; Y116-Y149 WeakPolarHBondContact OH-CE2 3.38Å; A147-Y149 HydrophobicContact CB-CD2 4.31Å; A147-Y149 HydrophobicContact CB-CE2 3.43Å; A147-Y149 VanDerWaalsContact CB-CE2 3.43Å; A147-Y149 WeakPolarHBondContact O-CD2 3.3Å
150	L	36.7	Very low	32.9	Very low	70 Å²	70	97.7 Å²	97.7	37%	0.366	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137.3	172.7	-79.1	161.8	0	0	0	110.1	L108 G152 E153	L108-L150 HydrophobicContact CD1-CD2 4.05Å; L108-L150 HydrophobicContact CD1-CG 4.39Å; L150-G152 PolarHBondContact O-N 3.34Å; L150-E153 PolarHBondContact O-N 3.1Å; L150-E153 VanDerWaalsContact O-N 3.09Å
151	A	35.2	Very low	33.6	Very low	13 Å²	13	92.5 Å²	92.5	11%	0.107	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	111.7	169.7	0	0	0	0	0	108.1	F86 G107	F86-A151 HydrophobicContact CB-CB 3.78Å; F86-A151 HydrophobicContact CD2-CB 4.06Å; F86-A151 HydrophobicContact CG-CB 4.11Å; G107-A151 WeakPolarHBondContact O-CA 3.47Å; G107-A151 WeakPolarHBondContact O-CB 3.42Å; G107-A151 PolarHBondContact O-N 2.57Å
152	G	32.8	Very low	33.9	Very low	44 Å²	44	95.9 Å²	95.9	45%	0.454	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	130.6	-25.6	-173.1	0	0	0	0	0	113.8	L150 M154	L150-G152 PolarHBondContact O-N 3.34Å; G152-M154 PolarHBondContact O-N 3.25Å
153	E	34.9	Very low	34.3	Very low	98 Å²	98	100.4 Å²	100.4	46%	0.458	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-78.2	-11	174.5	-68.3	-156.6	140.4	0	0	113	L150 N155	L150-E153 PolarHBondContact O-N 3.1Å; L150-E153 VanDerWaalsContact O-N 3.09Å; E153-N155 PolarHBondContact O-N 3.5Å
154	M	35.2	Very low	34.9	Very low	46 Å²	46	92.6 Å²	92.6	23%	0.227	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-83.7	0.2	-169.5	-74.6	-136.1	78	0	0	116.5	Y111 G152 Y156	Y111-M154 HydrophobicContact CD2-SD 4.03Å; Y111-M154 HydrophobicContact CE1-SD 4.21Å; Y111-M154 HydrophobicContact CE2-CE 4.24Å; Y111-M154 HydrophobicContact CE2-CG 4.31Å; Y111-M154 HydrophobicContact CE2-SD 3.18Å; Y111-M154 WeakPolarHBondContact CE2-SD 3.49Å; Y111-M154 PolarHBondContact OH-SD 3.21Å; G152-M154 PolarHBondContact O-N 3.25Å; M154-Y156 VanDerWaalsContact C-N 3.29Å; M154-Y156 PolarHBondContact O-N 3.15Å
155	N	37.6	Very low	35.3	Very low	119 Å²	119	92.6 Å²	92.6	64%	0.636	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-80.2	-8.3	176.7	-90.5	3.3	0	0	0	114.1	E153 Y157	E153-N155 PolarHBondContact O-N 3.5Å; N155-Y157 PolarHBondContact O-N 3.15Å
156	Y	30.1	Very low	35.6	Very low	167 Å²	167	89.6 Å²	89.6	66%	0.655	45%	0.45	S	S	*	.			trans	-95.2	87.1	178.7	-69.2	-84.1	0	0	0	110.8	M154 D160	M154-Y156 VanDerWaalsContact C-N 3.29Å; M154-Y156 PolarHBondContact O-N 3.15Å; Y156-D160 VanDerWaalsContact CB-OD2 3.3Å; Y156-D160 WeakPolarHBondContact CB-OD2 3.45Å
157	Y	31.2	Very low	35.9	Very low	162 Å²	162	87 Å²	87	64%	0.635	45%	0.446	S	S	*	.			trans	-31.2	134.5	154.4	-88.4	-101.3	0	0	0	111.1	N155 L159 D160	N155-Y157 PolarHBondContact O-N 3.15Å; Y157-L159 WeakPolarHBondContact O-CA 3.06Å; Y157-L159 PolarHBondContact O-N 3.04Å; Y157-D160 PolarHBondContact O-N 3.12Å
158	S	30.4	Very low	36.2	Very low	96 Å²	96	91.9 Å²	91.9	67%	0.671	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	22.4	-35.9	157.1	51.5	0	0	0	0	121.6	D160 L161	S158-D160 VanDerWaalsContact C-N 3.35Å; S158-L161 WeakPolarHBondContact O-CB 3.26Å; S158-L161 PolarHBondContact O-N 3.37Å
159	L	30.1	Very low	36.3	Very low	152 Å²	152	96.4 Å²	96.4	80%	0.796	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-59.5	-35	170.5	-79.3	157.7	0	0	0	113.9	Y157 L161	Y157-L159 WeakPolarHBondContact O-CA 3.06Å; Y157-L159 PolarHBondContact O-N 3.04Å; L159-L161 VanDerWaalsContact C-N 3.29Å; L159-L161 PolarHBondContact O-N 3.22Å
160	D	34.7	Very low	36.5	Very low	46 Å²	46	99.1 Å²	99.1	25%	0.246	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-84.2	2.8	-179.8	-104.3	-11.1	0	0	0	113.9	Y156 Y157 S158 K162 R163 A164	Y156-D160 VanDerWaalsContact CB-OD2 3.3Å; Y156-D160 WeakPolarHBondContact CB-OD2 3.45Å; Y157-D160 PolarHBondContact O-N 3.12Å; S158-D160 VanDerWaalsContact C-N 3.35Å; D160-K162 PolarHBondContact O-N 3.42Å; D160-R163 HydrophobicContact CB-CB 4.41Å; D160-R163 CarbonylContact O-C 3.6Å; D160-R163 PolarHBondContact O-N 3.39Å; D160-R163 VanDerWaalsContact O-N 3.09Å; D160-R163 WeakPolarHBondContact OD1-CB 3.36Å; D160-R163 WeakPolarHBondContact OD1-CD 3.33Å; D160-A164 WeakPolarHBondContact O-CB 3.46Å; D160-A164 PolarHBondContact O-N 2.98Å
161	L	37.5	Very low	36.6	Very low	78 Å²	78	102 Å²	102	41%	0.408	49%	0.491	S	S	.	.	H	α-helix	trans	-59.1	-40.3	171.5	-168.4	83.5	0	0	0	110.6	Y116 S158 L159 R163 A164 L165	Y116-L161 VanDerWaalsContact O-CD1 3.26Å; Y116-L161 WeakPolarHBondContact O-CD1 3.43Å; S158-L161 WeakPolarHBondContact O-CB 3.26Å; S158-L161 PolarHBondContact O-N 3.37Å; L159-L161 VanDerWaalsContact C-N 3.29Å; L159-L161 PolarHBondContact O-N 3.22Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 3.05Å; L161-A164 PolarHBondContact O-N 3.14Å; L161-L165 HydrophobicContact CD2-CD1 4.19Å; L161-L165 HydrophobicContact CG-CD1 4.03Å; L161-L165 VanDerWaalsContact O-CB 3.23Å; L161-L165 WeakPolarHBondContact O-CB 3.4Å; L161-L165 WeakPolarHBondContact O-CD1 3.3Å; L161-L165 WeakPolarHBondContact O-CG 3.29Å; L161-L165 PolarHBondContact O-N 3.16Å
162	K	35	Very low	36.7	Very low	162 Å²	162	107.2 Å²	107.2	70%	0.704	51%	0.508	S	S	*	.	H	α-helix	trans	-61.1	-42.3	174.2	-102	-179.7	178.8	176.9	0	111.5	D160 L165 D166	D160-K162 PolarHBondContact O-N 3.42Å; K162-L165 CarbonylContact O-C 3.58Å; K162-L165 PolarHBondContact O-N 3.09Å; K162-D166 VanDerWaalsContact O-CB 3.25Å; K162-D166 WeakPolarHBondContact O-CB 3.43Å; K162-D166 PolarHBondContact O-N 3.43Å
163	R	36.4	Very low	36.7	Very low	155 Å²	155	113.8 Å²	113.8	59%	0.585	52%	0.524	S	S	*	.	H	α-helix	trans	-71.4	-38.2	179.9	-164.2	179.1	-171.9	173.2	2.5	112.7	D160 L161 L165 D166 N167	D160-R163 HydrophobicContact CB-CB 4.41Å; D160-R163 CarbonylContact O-C 3.6Å; D160-R163 PolarHBondContact O-N 3.39Å; D160-R163 VanDerWaalsContact O-N 3.09Å; D160-R163 WeakPolarHBondContact OD1-CB 3.36Å; D160-R163 WeakPolarHBondContact OD1-CD 3.33Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 3.05Å; R163-L165 VanDerWaalsContact C-N 3.35Å; R163-D166 PolarHBondContact O-N 2.99Å; R163-N167 VanDerWaalsContact O-CB 3.23Å; R163-N167 WeakPolarHBondContact O-CB 3.04Å; R163-N167 VanDerWaalsContact O-CG 3.28Å; R163-N167 PolarHBondContact O-N 3.16Å
164	A	42	Very low	36.8	Very low	52 Å²	52	112 Å²	112	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-63.8	-42	172	0	0	0	0	0	110.9	D160 L161 Y168	D160-A164 WeakPolarHBondContact O-CB 3.46Å; D160-A164 PolarHBondContact O-N 2.98Å; L161-A164 PolarHBondContact O-N 3.14Å; A164-Y168 VanDerWaalsContact O-CB 3.23Å; A164-Y168 WeakPolarHBondContact O-CB 3.47Å; A164-Y168 PolarHBondContact O-N 3.19Å
165	L	40.7	Very low	36.7	Very low	80 Å²	80	116.9 Å²	116.9	42%	0.419	54%	0.539	S	S	.	.	H	α-helix	trans	-68.6	-37.4	174.5	-75	169.5	0	0	0	112.8	L161 K162 R163 Y168 R169	L161-L165 HydrophobicContact CD2-CD1 4.19Å; L161-L165 HydrophobicContact CG-CD1 4.03Å; L161-L165 VanDerWaalsContact O-CB 3.23Å; L161-L165 WeakPolarHBondContact O-CB 3.4Å; L161-L165 WeakPolarHBondContact O-CD1 3.3Å; L161-L165 WeakPolarHBondContact O-CG 3.29Å; L161-L165 PolarHBondContact O-N 3.16Å; K162-L165 CarbonylContact O-C 3.58Å; K162-L165 PolarHBondContact O-N 3.09Å; R163-L165 VanDerWaalsContact C-N 3.35Å; L165-Y168 WeakPolarHBondContact O-CB 3.01Å; L165-Y168 PolarHBondContact O-N 2.83Å; L165-R169 WeakPolarHBondContact O-CB 3.35Å; L165-R169 VanDerWaalsContact O-CG 3.22Å; L165-R169 WeakPolarHBondContact O-CG 3.44Å; L165-R169 PolarHBondContact O-N 3.45Å
166	D	41.5	Very low	36.3	Very low	82 Å²	82	119.5 Å²	119.5	44%	0.439	55%	0.548	S	S	.	.	H	α-helix	trans	-73.5	-39	178.1	-74.9	-23.2	0	0	0	111.3	K162 R163 R169 F170	K162-D166 VanDerWaalsContact O-CB 3.25Å; K162-D166 WeakPolarHBondContact O-CB 3.43Å; K162-D166 PolarHBondContact O-N 3.43Å; R163-D166 PolarHBondContact O-N 2.99Å; D166-R169 PolarHBondContact O-N 3.07Å; D166-R169 IonicContact OD1-NH1 3.84Å; D166-F170 VanDerWaalsContact O-CB 3.31Å; D166-F170 WeakPolarHBondContact O-CB 3.49Å; D166-F170 PolarHBondContact O-N 3.31Å
167	N	42.3	Very low	36.2	Very low	83 Å²	83	114.2 Å²	114.2	44%	0.444	53%	0.533	S	S	.	.	H	α-helix	trans	-60.4	-48.4	168.1	-80.1	-15.5	0	0	0	110	R163 R169 F170 W171	R163-N167 VanDerWaalsContact O-CB 3.23Å; R163-N167 WeakPolarHBondContact O-CB 3.04Å; R163-N167 VanDerWaalsContact O-CG 3.28Å; R163-N167 PolarHBondContact O-N 3.16Å; N167-R169 VanDerWaalsContact C-N 3.32Å; N167-R169 PolarHBondContact O-N 2.78Å; N167-F170 PolarHBondContact O-N 2.88Å; N167-W171 PolarHBondContact O-N 3.25Å
168	Y	40.8	Very low	36	Very low	102 Å²	102	111.6 Å²	111.6	40%	0.4	53%	0.534	S	S	.	.	H	α-helix	trans	-55.1	-46.3	175.1	170.9	-99.3	0	0	0	112	A164 L165 W171 R172	A164-Y168 VanDerWaalsContact O-CB 3.23Å; A164-Y168 WeakPolarHBondContact O-CB 3.47Å; A164-Y168 PolarHBondContact O-N 3.19Å; L165-Y168 WeakPolarHBondContact O-CB 3.01Å; L165-Y168 PolarHBondContact O-N 2.83Å; Y168-W171 PolarHBondContact O-N 2.87Å; Y168-R172 VanDerWaalsContact O-CB 3.27Å; Y168-R172 WeakPolarHBondContact O-CB 3.18Å; Y168-R172 PolarHBondContact O-N 2.85Å
169	R	40.6	Very low	35.7	Very low	162 Å²	162	115.7 Å²	115.7	61%	0.611	54%	0.536	S	S	*	.	H	α-helix	trans	-64.4	-40.8	176.5	-76.1	169.1	173.9	-178.7	-3.6	112.6	L165 D166 N167 R172 K173	L165-R169 WeakPolarHBondContact O-CB 3.35Å; L165-R169 VanDerWaalsContact O-CG 3.22Å; L165-R169 WeakPolarHBondContact O-CG 3.44Å; L165-R169 PolarHBondContact O-N 3.45Å; D166-R169 PolarHBondContact O-N 3.07Å; D166-R169 IonicContact OD1-NH1 3.84Å; N167-R169 VanDerWaalsContact C-N 3.32Å; N167-R169 PolarHBondContact O-N 2.78Å; R169-R172 PolarHBondContact O-N 3.29Å; R169-K173 WeakPolarHBondContact O-CB 3.38Å; R169-K173 PolarHBondContact O-N 3.36Å
170	F	40.8	Very low	35.6	Very low	112 Å²	112	110.9 Å²	110.9	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-62	-50.3	175.4	171.3	-95.6	0	0	0	111.1	D166 N167 R172 K173 S174	D166-F170 VanDerWaalsContact O-CB 3.31Å; D166-F170 WeakPolarHBondContact O-CB 3.49Å; D166-F170 PolarHBondContact O-N 3.31Å; N167-F170 PolarHBondContact O-N 2.88Å; F170-R172 VanDerWaalsContact C-N 3.3Å; F170-R172 PolarHBondContact O-N 2.74Å; F170-K173 PolarHBondContact O-N 3.05Å; F170-S174 WeakPolarHBondContact CE2-OG 3.47Å; F170-S174 WeakPolarHBondContact O-CB 3.25Å; F170-S174 PolarHBondContact O-N 3.22Å; F170-S174 PolarHBondContact O-OG 3.47Å; F170-S174 VanDerWaalsContact O-OG 3.06Å
171	W	39.8	Very low	35.1	Very low	131 Å²	131	112.7 Å²	112.7	50%	0.496	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-39	177.8	-70.9	112.4	0	0	0	111.6	N167 Y168 K173 Y175	N167-W171 PolarHBondContact O-N 3.25Å; Y168-W171 PolarHBondContact O-N 2.87Å; W171-K173 PolarHBondContact O-N 3.13Å; W171-Y175 HydrophobicContact CD2-CD2 4.49Å; W171-Y175 HydrophobicContact CD2-CE2 4.28Å; W171-Y175 AromaticContact CE3-CD2 3.44Å; W171-Y175 HydrophobicContact CE3-CD2 3.44Å; W171-Y175 VanDerWaalsContact CE3-CD2 3.44Å; W171-Y175 AromaticContact CE3-CE2 3.11Å; W171-Y175 HydrophobicContact CE3-CE2 3.11Å; W171-Y175 HydrophobicContact CH2-CE2 4.32Å; W171-Y175 AromaticContact CZ3-CD2 3.93Å; W171-Y175 HydrophobicContact CZ3-CD2 3.93Å; W171-Y175 AromaticContact CZ3-CE2 3.14Å; W171-Y175 HydrophobicContact CZ3-CE2 3.14Å; W171-Y175 AromaticContact CZ3-CZ 3.59Å; W171-Y175 WeakPolarHBondContact O-CB 3.32Å; W171-Y175 WeakPolarHBondContact O-CD2 3.29Å; W171-Y175 PolarHBondContact O-N 2.89Å; W171-Y175 VanDerWaalsContact O-N 3.09Å
172	R	35.3	Very low	34.5	Very low	122 Å²	122	115.5 Å²	115.5	46%	0.46	54%	0.536	S	S	.	.	H	α-helix	trans	-60.2	-44.6	173.8	-162.6	-173.8	-177	-164.4	1.1	112.7	Y168 R169 F170 Q176 T177	Y168-R172 VanDerWaalsContact O-CB 3.27Å; Y168-R172 WeakPolarHBondContact O-CB 3.18Å; Y168-R172 PolarHBondContact O-N 2.85Å; R169-R172 PolarHBondContact O-N 3.29Å; F170-R172 VanDerWaalsContact C-N 3.3Å; F170-R172 PolarHBondContact O-N 2.74Å; R172-Q176 WeakPolarHBondContact O-CA 3.45Å; R172-Q176 PolarHBondContact O-N 3Å; R172-T177 WeakPolarHBondContact CA-OG1 3.42Å; R172-T177 WeakPolarHBondContact CG-O 3.25Å; R172-T177 PolarHBondContact O-N 3.07Å
173	K	34.5	Very low	34	Very low	182 Å²	182	116.2 Å²	116.2	79%	0.791	53%	0.534	S	S	*	.	H	α-helix	trans	-73.7	-41.8	-177.8	-172.1	178.1	178.8	-178.3	0	112.4	R169 F170 W171	R169-K173 WeakPolarHBondContact O-CB 3.38Å; R169-K173 PolarHBondContact O-N 3.36Å; F170-K173 PolarHBondContact O-N 3.05Å; W171-K173 PolarHBondContact O-N 3.13Å
174	S	36.4	Very low	33.3	Very low	62 Å²	62	118 Å²	118	43%	0.434	54%	0.542	S	S	.	.	H	α-helix	trans	-75.7	-25.6	-177	-60.3	0	0	0	0	113.2	F170	F170-S174 WeakPolarHBondContact CE2-OG 3.47Å; F170-S174 WeakPolarHBondContact O-CB 3.25Å; F170-S174 PolarHBondContact O-N 3.22Å; F170-S174 PolarHBondContact O-OG 3.47Å; F170-S174 VanDerWaalsContact O-OG 3.06Å
175	Y	32.9	Very low	32.5	Very low	147 Å²	147	120.5 Å²	120.5	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-125.2	12.6	-174.1	-59.5	-86.9	0	0	0	114.5	W171 T177	W171-Y175 HydrophobicContact CD2-CD2 4.49Å; W171-Y175 HydrophobicContact CD2-CE2 4.28Å; W171-Y175 AromaticContact CE3-CD2 3.44Å; W171-Y175 HydrophobicContact CE3-CD2 3.44Å; W171-Y175 VanDerWaalsContact CE3-CD2 3.44Å; W171-Y175 AromaticContact CE3-CE2 3.11Å; W171-Y175 HydrophobicContact CE3-CE2 3.11Å; W171-Y175 HydrophobicContact CH2-CE2 4.32Å; W171-Y175 AromaticContact CZ3-CD2 3.93Å; W171-Y175 HydrophobicContact CZ3-CD2 3.93Å; W171-Y175 AromaticContact CZ3-CE2 3.14Å; W171-Y175 HydrophobicContact CZ3-CE2 3.14Å; W171-Y175 AromaticContact CZ3-CZ 3.59Å; W171-Y175 WeakPolarHBondContact O-CB 3.32Å; W171-Y175 WeakPolarHBondContact O-CD2 3.29Å; W171-Y175 PolarHBondContact O-N 2.89Å; W171-Y175 VanDerWaalsContact O-N 3.09Å; Y175-T177 VanDerWaalsContact C-N 3.3Å; Y175-T177 PolarHBondContact O-N 3.1Å
176	Q	29.9	Very low	31.8	Very low	175 Å²	175	125.9 Å²	125.9	82%	0.818	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.9	43.2	176.4	-64.4	-175.1	-8.6	0	0	114.8	R172 V178	R172-Q176 WeakPolarHBondContact O-CA 3.45Å; R172-Q176 PolarHBondContact O-N 3Å; Q176-V178 PolarHBondContact O-N 2.71Å
177	T	28.2	Very low	31	Very low	55 Å²	55	127.8 Å²	127.8	34%	0.337	58%	0.577	S	S	.	*			trans	-84	116.8	178.8	54.1	0	0	0	0	110.5	R172 Y175	R172-T177 WeakPolarHBondContact CA-OG1 3.42Å; R172-T177 WeakPolarHBondContact CG-O 3.25Å; R172-T177 PolarHBondContact O-N 3.07Å; Y175-T177 VanDerWaalsContact C-N 3.3Å; Y175-T177 PolarHBondContact O-N 3.1Å
178	V	26.6	Very low	30	Very low	107 Å²	107	129.4 Å²	129.4	65%	0.648	59%	0.586	S	S	*	*	S	Bend	trans	-80.5	-22.9	-171	-175.2	0	0	0	0	112.8	Q176	Q176-V178 PolarHBondContact O-N 2.71Å
179	Y	22.9	Very low	29.3	Very low	182 Å²	182	133.1 Å²	133.1	71%	0.714	61%	0.607	S	S	*	*	S	Bend	trans	-148.1	166.5	174.7	-86.8	-89.1	0	0	0	108.9	S181	Y179-S181 PolarHBondContact O-N 3.38Å
180	P	28.5	Very low	28.5	Very low	51 Å²	51	128 Å²	128	33%	0.331	60%	0.604	S	S	.	*			trans	-66.9	74.4	165.6	31.2	-34.2	0	0	0	108.3	L144 Y182	L144-P180 HydrophobicContact CD2-CG 3.47Å; L144-P180 VanDerWaalsContact CD2-CG 3.47Å; P180-Y182 HydrophobicContact CB-CD2 4.38Å; P180-Y182 HydrophobicContact CB-CE2 4.4Å; P180-Y182 PolarHBondContact O-N 3.07Å
181	S	24	Very low	27.8	Very low	84 Å²	84	127.8 Å²	127.8	59%	0.587	61%	0.607	S	S	*	*			trans	-71.1	79.5	162.4	57.3	0	0	0	0	106	Y179 R183	Y179-S181 PolarHBondContact O-N 3.38Å; S181-R183 PolarHBondContact O-N 3.05Å
182	Y	25.9	Very low	27.3	Very low	138 Å²	138	132 Å²	132	54%	0.541	62%	0.623	S	S	.	*			trans	-52	96.6	141.1	-74.1	-82.2	0	0	0	104.5	R146 A147 P180 Y184	R146-Y182 WeakPolarHBondContact O-CE2 3.27Å; A147-Y182 WeakPolarHBondContact CA-OH 3.36Å; P180-Y182 HydrophobicContact CB-CD2 4.38Å; P180-Y182 HydrophobicContact CB-CE2 4.4Å; P180-Y182 PolarHBondContact O-N 3.07Å; Y182-Y184 PolarHBondContact O-N 3.08Å
183	R	24.8	Very low	26.9	Very low	176 Å²	176	133.3 Å²	133.3	66%	0.664	63%	0.634	S	S	*	*			trans	-54	115.5	171.2	-96.3	-173.5	167.8	158.7	-12.1	105.2	S181 Y185	S181-R183 PolarHBondContact O-N 3.05Å; R183-Y185 HydrophobicContact CB-CD2 3.38Å; R183-Y185 HydrophobicContact CB-CE2 3.27Å; R183-Y185 HydrophobicContact CB-CG 4.42Å; R183-Y185 WeakPolarHBondContact CD-OH 3.37Å; R183-Y185 HydrophobicContact CG-CD2 4.39Å; R183-Y185 HydrophobicContact CG-CE2 3.83Å; R183-Y185 VanDerWaalsContact CZ-OH 3.25Å; R183-Y185 PolarHBondContact NE-OH 2.86Å; R183-Y185 PolarHBondContact NH1-OH 3.49Å; R183-Y185 PolarHBondContact O-N 2.72Å
184	Y	21.9	Very low	26.5	Very low	192 Å²	192	133.3 Å²	133.3	75%	0.753	64%	0.635	S	S	*	*			trans	-55.5	92.7	161.5	-91.4	-96.2	0	0	0	106.9	Y182 Y186	Y182-Y184 PolarHBondContact O-N 3.08Å; Y184-Y186 HydrophobicContact CD1-CD2 4.36Å; Y184-Y186 AromaticContact CD1-CE2 3.88Å; Y184-Y186 HydrophobicContact CD1-CE2 3.88Å; Y184-Y186 PolarHBondContact O-N 2.93Å
185	Y	25.3	Very low	25.9	Very low	106 Å²	106	132.4 Å²	132.4	42%	0.416	64%	0.635	S	S	.	*			trans	-95.2	80.3	169.3	-83.7	-76.1	0	0	0	107.9	R183 S187 D188 L191	R183-Y185 HydrophobicContact CB-CD2 3.38Å; R183-Y185 HydrophobicContact CB-CE2 3.27Å; R183-Y185 HydrophobicContact CB-CG 4.42Å; R183-Y185 WeakPolarHBondContact CD-OH 3.37Å; R183-Y185 HydrophobicContact CG-CD2 4.39Å; R183-Y185 HydrophobicContact CG-CE2 3.83Å; R183-Y185 VanDerWaalsContact CZ-OH 3.25Å; R183-Y185 PolarHBondContact NE-OH 2.86Å; R183-Y185 PolarHBondContact NH1-OH 3.49Å; R183-Y185 PolarHBondContact O-N 2.72Å; Y185-S187 PolarHBondContact O-N 3.04Å; Y185-D188 HydrophobicContact CD1-CB 4.32Å; Y185-L191 HydrophobicContact CD2-CD1 3.43Å; Y185-L191 VanDerWaalsContact CD2-CD1 3.43Å; Y185-L191 HydrophobicContact CE2-CD1 3.55Å
186	Y	24.7	Very low	25.5	Very low	192 Å²	192	128.5 Å²	128.5	75%	0.753	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	127.2	143.1	-75.9	-90.7	0	0	0	106.1	Y184	Y184-Y186 HydrophobicContact CD1-CD2 4.36Å; Y184-Y186 AromaticContact CD1-CE2 3.88Å; Y184-Y186 HydrophobicContact CD1-CE2 3.88Å; Y184-Y186 PolarHBondContact O-N 2.93Å
187	S	24	Very low	25.2	Very low	122 Å²	122	130.9 Å²	130.9	85%	0.853	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	80	16.3	168.8	79.6	0	0	0	0	122.1	Y185	Y185-S187 PolarHBondContact O-N 3.04Å
188	D	23.3	Very low	25	Very low	118 Å²	118	139.6 Å²	139.6	63%	0.631	67%	0.67	S	S	*	*			trans	-147.3	114.3	168.6	-131.7	-19.3	0	0	0	113.6	Y185 G190	Y185-D188 HydrophobicContact CD1-CB 4.32Å; D188-G190 PolarHBondContact O-N 2.97Å
189	H	24.6	Very low	25	Very low	180 Å²	180	140.4 Å²	140.4	83%	0.833	67%	0.669	S	S	*	*			trans	-75.8	32.4	-174.1	-68.6	-76.2	0	0	0	113.7
190	G	23.3	Very low	25.1	Very low	54 Å²	54	139.5 Å²	139.5	56%	0.557	68%	0.676	S	S	*	*			trans	-127.3	41.4	-158.7	0	0	0	0	0	116.2	D188	D188-G190 PolarHBondContact O-N 2.97Å
191	L	27.8	Very low	24.9	Very low	107 Å²	107	145.5 Å²	145.5	56%	0.56	70%	0.696	S	S	*	*			trans	-112.6	74.9	168.6	-91.8	161	0	0	0	111.1	Y185 H193	Y185-L191 HydrophobicContact CD2-CD1 3.43Å; Y185-L191 VanDerWaalsContact CD2-CD1 3.43Å; Y185-L191 HydrophobicContact CE2-CD1 3.55Å; L191-H193 PolarHBondContact O-N 3.49Å; L191-H193 VanDerWaalsContact O-N 3.16Å
192	R	28.6	Very low	25	Very low	219 Å²	219	148.8 Å²	148.8	83%	0.826	71%	0.707	S	S	*	*			trans	-68.8	97	164.9	-62.9	178.4	-174.8	-174.2	1.1	108.6	F194	R192-F194 HydrophobicContact CB-CD2 4.42Å; R192-F194 PolarHBondContact O-N 3.14Å; R192-F194 VanDerWaalsContact O-N 3.16Å
193	H	27.4	Very low	25	Very low	150 Å²	150	153.5 Å²	153.5	69%	0.694	72%	0.724	S	S	*	*			trans	-77.6	96.5	161.4	-81.2	-83.2	0	0	0	108.5	L191 G195	L191-H193 PolarHBondContact O-N 3.49Å; L191-H193 VanDerWaalsContact O-N 3.16Å; H193-G195 PolarHBondContact O-N 2.82Å
194	F	25	Very low	25.1	Very low	182 Å²	182	152.9 Å²	152.9	80%	0.798	73%	0.733	S	S	*	*			trans	-66.3	118.4	162.6	-96.9	-94.7	0	0	0	108.9	R192	R192-F194 HydrophobicContact CB-CD2 4.42Å; R192-F194 PolarHBondContact O-N 3.14Å; R192-F194 VanDerWaalsContact O-N 3.16Å
195	G	24.9	Very low	25.4	Very low	43 Å²	43	148.4 Å²	148.4	44%	0.443	73%	0.73	S	S	.	*			trans	-177	98.8	170.6	0	0	0	0	0	108.8	H193	H193-G195 PolarHBondContact O-N 2.82Å
196	G	23	Very low	25.4	Very low	66 Å²	66	146.8 Å²	146.8	68%	0.68	75%	0.745	S	S	*	*	S	Bend	trans	148.5	-12.3	177.5	0	0	0	0	0	116.9
197	Y	24.7	Very low	25.8	Very low	224 Å²	224	150.1 Å²	150.1	88%	0.878	76%	0.756	S	S	*	*			trans	-91.7	107.8	159.8	-84	-89.5	0	0	0	108.4	I199	Y197-I199 PolarHBondContact O-N 3.25Å
198	R	24.3	Very low	26	Very low	239 Å²	239	147.8 Å²	147.8	90%	0.902	74%	0.744	S	S	*	*			trans	-45.1	125.1	153.1	-144.5	-179.5	-172.8	-173.9	2.1	106.3	L200	R198-L200 PolarHBondContact O-N 3.47Å
199	I	26	Very low	26.3	Very low	123 Å²	123	154 Å²	154	63%	0.631	76%	0.759	S	S	*	*			trans	-43	102.8	165.3	-87.2	166.8	0	0	0	108.1	Y197 K201 L202	Y197-I199 PolarHBondContact O-N 3.25Å; I199-K201 HydrophobicContact CG2-CB 3.91Å; I199-K201 WeakPolarHBondContact CG2-O 3.3Å; I199-K201 PolarHBondContact O-N 3.29Å; I199-L202 HydrophobicContact CG2-CB 4.14Å; I199-L202 HydrophobicContact CG2-CD1 4.24Å; I199-L202 HydrophobicContact CG2-CG 4.04Å
200	L	24.5	Very low	26.5	Very low	164 Å²	164	155.3 Å²	155.3	86%	0.859	76%	0.762	S	S	*	*	S	Bend	trans	-86.6	41.1	152	-115.4	164	0	0	0	108	R198	R198-L200 PolarHBondContact O-N 3.47Å
201	K	25.4	Very low	26.9	Very low	176 Å²	176	155.8 Å²	155.8	77%	0.765	77%	0.767	S	S	*	*			trans	-128	45.9	173.5	-150.4	-177.5	-172.5	-178	0	109.2	I199	I199-K201 HydrophobicContact CG2-CB 3.91Å; I199-K201 WeakPolarHBondContact CG2-O 3.3Å; I199-K201 PolarHBondContact O-N 3.29Å
202	L	25.8	Very low	27.1	Very low	154 Å²	154	162.9 Å²	162.9	81%	0.806	80%	0.804	S	S	*	*	S	Bend	trans	-146	43.5	166.6	-89.1	174.4	0	0	0	110.8	I199	I199-L202 HydrophobicContact CG2-CB 4.14Å; I199-L202 HydrophobicContact CG2-CD1 4.24Å; I199-L202 HydrophobicContact CG2-CG 4.04Å
203	R	26.2	Very low	27.1	Very low	236 Å²	236	160.1 Å²	160.1	89%	0.891	80%	0.803	S	S	*	*	S	Bend	trans	-168	23.4	151.7	-126.3	177.4	-179.1	172	-0.1	117.3
204	L	26.9	Very low	27	Very low	164 Å²	164	160.6 Å²	160.6	86%	0.859	81%	0.809	S	S	*	*	S	Bend	trans	-115.3	15.2	173.9	-80.3	168	0	0	0	114.5
205	S	27.4	Very low	27.2	Very low	98 Å²	98	159.4 Å²	159.4	69%	0.685	81%	0.809	S	S	*	*	S	Bend	trans	-135.6	28.8	175.2	61.9	0	0	0	0	113.9
206	G	26.4	Very low	27.3	Very low	71 Å²	71	166.2 Å²	166.2	73%	0.732	83%	0.831	S	S	*	*	S	Bend	trans	-102.4	2.8	171.3	0	0	0	0	0	114.6
207	W	31.6	Very low	27.6	Very low	263 Å²	263	172.5 Å²	172.5	100%	0.996	84%	0.84	S	S	*	*	S	Bend	trans	-112.4	10.3	177.6	-88.7	55.5	0	0	0	113.2
208	A	29.9	Very low	27.7	Very low	73 Å²	73	169.1 Å²	169.1	60%	0.603	84%	0.838	S	S	*	*	S	Bend	trans	-133.2	108.2	171.4	0	0	0	0	0	108.2
209	R	28	Very low	28	Very low	247 Å²	247	164.1 Å²	164.1	93%	0.932	83%	0.833	S	S	*	*			trans	83.5	67.2	174.6	-49.7	-177.8	-162.2	-165.9	3.4	116.9
210	K	30.1	Very low	28.1	Very low	208 Å²	208	167.2 Å²	167.2	90%	0.904	85%	0.849	S	S	*	*	S	Bend		-119.4	114.4	128.6	-95.7	-168.6	176	-174.2	0	107.1
211	G	31.2	Very low	28.5	Very low	64 Å²	64	167.5 Å²	167.5	66%	0.66	85%	0.848	S	S	*	*			trans	67.6	136.1	161.8	0	0	0	0	0	115.9
212	L	32.5	Very low	28.7	Very low	256 Å²	256	166.7 Å²	166.7	100%	1.34	86%	0.855	S	S	*	*			cis	48.6	0	46.2	-61.7	164.2	0	0	0	111.6

Retrieved 212 of 212 residues in 96.1 ms (Link to these results)

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