G4VDQ2_SCHMA Loading...

CIA30 domain-containing protein

AlphaFold DB , UniProt , Accession G4VDQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.6	Very low	25.3	Very low	238 Å²	238	144.1 Å²	144.1	100%	1.172	79%	0.788	S	S	*	*				0	147.3	0	-108.3	166.3	84	0	0	108.7
2	N	29.5	Very low	25.2	Very low	148 Å²	148	142.5 Å²	142.5	79%	0.791	79%	0.787	S	S	*	*			trans	84.2	90	-176.7	-70.9	-14	0	0	0	118.1
3	T	27.3	Very low	25.4	Very low	108 Å²	108	141.8 Å²	141.8	66%	0.663	78%	0.778	S	S	*	*				58.2	96.3	88.1	21.1	0	0	0	0	115.6
4	N	24.7	Very low	25.4	Very low	136 Å²	136	140.7 Å²	140.7	73%	0.727	77%	0.77	S	S	*	*				68.7	119.4	113.7	-74.3	-9	0	0	0	121.6
5	I	26.8	Very low	25.4	Very low	151 Å²	151	138.1 Å²	138.1	77%	0.774	77%	0.767	S	S	*	*				102.2	111.5	126.4	-66.5	164.9	0	0	0	118.4
6	L	21.7	Very low	25.6	Very low	160 Å²	160	139 Å²	139	84%	0.838	77%	0.768	S	S	*	*			trans	-56.2	136.5	158.2	-175.9	80.4	0	0	0	112.3
7	L	23	Very low	25.7	Very low	159 Å²	159	136.4 Å²	136.4	83%	0.832	75%	0.749	S	S	*	*			trans	-154.4	127.5	143.8	-135.3	100.6	0	0	0	111.2
8	A	21.6	Very low	26	Very low	85 Å²	85	134.1 Å²	134.1	70%	0.702	74%	0.739	S	S	*	*			trans	-72	147.1	173.1	0	0	0	0	0	111.2
9	T	24.8	Very low	26.2	Very low	100 Å²	100	131.8 Å²	131.8	61%	0.613	73%	0.734	S	S	*	*			trans	-158.8	107.9	159.6	-10.2	0	0	0	0	110.7	F11	T9-F11 HydrophobicContact CG2-CD2 4.07Å; T9-F11 HydrophobicContact CG2-CE2 3.5Å; T9-F11 VanDerWaalsContact CG2-CE2 3.5Å; T9-F11 HydrophobicContact CG2-CZ 4.08Å; T9-F11 PolarHBondContact O-N 2.84Å
10	T	22.6	Very low	26.5	Very low	138 Å²	138	131.7 Å²	131.7	85%	0.847	73%	0.73	S	S	*	*			trans	-69.6	117.2	165.4	-49.9	0	0	0	0	107.9
11	F	26.1	Very low	26.6	Very low	162 Å²	162	129.8 Å²	129.8	71%	0.711	73%	0.732	S	S	*	*			trans	-112.4	105.2	175.1	-87.8	-82.9	0	0	0	109.9	T9	T9-F11 HydrophobicContact CG2-CD2 4.07Å; T9-F11 HydrophobicContact CG2-CE2 3.5Å; T9-F11 VanDerWaalsContact CG2-CE2 3.5Å; T9-F11 HydrophobicContact CG2-CZ 4.08Å; T9-F11 PolarHBondContact O-N 2.84Å
12	T	24.4	Very low	26.7	Very low	125 Å²	125	122.2 Å²	122.2	77%	0.767	71%	0.707	S	S	*	*			trans	-73.1	118.1	161.9	-37	0	0	0	0	107.2	L14	T12-L14 VanDerWaalsContact C-N 3.34Å; T12-L14 PolarHBondContact O-N 3.39Å
13	I	28.1	Very low	26.8	Very low	133 Å²	133	123.6 Å²	123.6	68%	0.682	71%	0.708	S	S	*	*			trans	-73.3	95.4	171.9	-64.6	173.1	0	0	0	106.8	L73	I13-L73 HydrophobicContact CD1-CD1 4.21Å
14	L	25	Very low	26.8	Very low	127 Å²	127	126.3 Å²	126.3	67%	0.665	72%	0.716	S	S	*	*			trans	-75.3	119.9	166.1	-168.6	72.2	0	0	0	107.3	T12 L16	T12-L14 VanDerWaalsContact C-N 3.34Å; T12-L14 PolarHBondContact O-N 3.39Å; L14-L16 PolarHBondContact O-N 3.33Å
15	S	26	Very low	27.1	Very low	102 Å²	102	125.7 Å²	125.7	71%	0.713	71%	0.713	S	S	*	*			trans	-56.6	103	163.3	-58.8	0	0	0	0	108	H17	S15-H17 PolarHBondContact O-N 2.89Å
16	L	28.7	Very low	27.3	Very low	152 Å²	152	125.2 Å²	125.2	80%	0.796	72%	0.717	S	S	*	*			trans	-74.1	100.6	-174.1	-164.9	73.3	0	0	0	109.9	L14	L14-L16 PolarHBondContact O-N 3.33Å
17	H	26.9	Very low	27.7	Very low	95 Å²	95	124.2 Å²	124.2	44%	0.44	71%	0.712	S	S	.	*			trans	35	89.9	132.4	-97.6	-91.6	0	0	0	118.2	S15 I20	S15-H17 PolarHBondContact O-N 2.89Å; H17-I20 WeakPolarHBondContact CE1-CD1 3.5Å; H17-I20 VanDerWaalsContact CE1-CG1 3.43Å; H17-I20 WeakPolarHBondContact CE1-CG1 3.4Å; H17-I20 WeakPolarHBondContact ND1-CD1 3.49Å; H17-I20 VanDerWaalsContact ND1-CG1 3.32Å; H17-I20 WeakPolarHBondContact ND1-CG1 3.49Å
18	T	31.7	Very low	28	Very low	94 Å²	94	123.1 Å²	123.1	58%	0.577	71%	0.706	S	S	*	*	S	Bend	trans	-79.5	5.7	142.2	47.6	0	0	0	0	112.1
19	S	29.7	Very low	28.6	Very low	91 Å²	91	124.1 Å²	124.1	64%	0.636	70%	0.704	S	S	*	*	S	Bend	trans	-99.2	3.7	-169.1	177.8	0	0	0	0	116.1
20	I	30.9	Very low	28.9	Very low	129 Å²	129	124.2 Å²	124.2	66%	0.662	70%	0.704	S	S	*	*	S	Bend	trans	-123.7	-15.6	176.2	-71.4	169.8	0	0	0	114	H17	H17-I20 WeakPolarHBondContact CE1-CD1 3.5Å; H17-I20 VanDerWaalsContact CE1-CG1 3.43Å; H17-I20 WeakPolarHBondContact CE1-CG1 3.4Å; H17-I20 WeakPolarHBondContact ND1-CD1 3.49Å; H17-I20 VanDerWaalsContact ND1-CG1 3.32Å; H17-I20 WeakPolarHBondContact ND1-CG1 3.49Å
21	A	30.3	Very low	29.5	Very low	92 Å²	92	119.5 Å²	119.5	76%	0.76	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-87.6	-7	170.7	0	0	0	0	0	113.9	H23	A21-H23 PolarHBondContact O-N 2.91Å
22	A	31.7	Very low	29.8	Very low	79 Å²	79	116.3 Å²	116.3	65%	0.653	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-79.9	8	-179.6	0	0	0	0	0	114.5	M24	A22-M24 VanDerWaalsContact C-N 3.27Å; A22-M24 PolarHBondContact O-N 3.09Å
23	H	31.2	Very low	30.5	Very low	177 Å²	177	110.6 Å²	110.6	82%	0.819	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-85.5	5.7	178.7	-138.4	-52.2	0	0	0	114.3	A21	A21-H23 PolarHBondContact O-N 2.91Å
24	M	28	Very low	31.4	Very low	166 Å²	166	107.7 Å²	107.7	82%	0.818	62%	0.617	S	S	*	*	S	Bend	trans	-139.6	111.3	175	-65.4	-82.2	-96.1	0	0	108.2	A22	A22-M24 VanDerWaalsContact C-N 3.27Å; A22-M24 PolarHBondContact O-N 3.09Å
25	N	29.3	Very low	32.2	Very low	123 Å²	123	101.9 Å²	101.9	66%	0.658	59%	0.587	S	S	*	*			trans	93.7	102.5	168.3	-142.4	-7.3	0	0	0	117	N27	N25-N27 PolarHBondContact O-N 3.46Å
26	T	31.2	Very low	33.2	Very low	140 Å²	140	97.8 Å²	97.8	86%	0.859	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	30.6	-173	50.5	0	0	0	0	115
27	N	31	Very low	34.1	Very low	139 Å²	139	91.4 Å²	91.4	74%	0.743	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.8	12.6	-172.3	-94.8	-20.9	0	0	0	116	N25	N25-N27 PolarHBondContact O-N 3.46Å
28	L	28.6	Very low	34.8	Very low	136 Å²	136	93.4 Å²	93.4	71%	0.712	54%	0.541	S	S	*	.			trans	-107.9	110.1	-176.6	-82.2	158.7	0	0	0	113.1	T30	L28-T30 PolarHBondContact O-N 2.9Å; L28-T30 VanDerWaalsContact O-N 3.14Å
29	T	33.8	Very low	35.6	Very low	106 Å²	106	93.4 Å²	93.4	65%	0.65	54%	0.541	S	S	*	.			trans	-54.1	105.1	163.6	-38.3	0	0	0	0	109.3	S31	T29-S31 PolarHBondContact O-N 2.97Å
30	T	32.6	Very low	36.5	Very low	102 Å²	102	90.3 Å²	90.3	63%	0.626	52%	0.521	S	S	*	.			trans	-78.5	87.7	176.6	49.4	0	0	0	0	110	L28	L28-T30 PolarHBondContact O-N 2.9Å; L28-T30 VanDerWaalsContact O-N 3.14Å
31	S	34.9	Very low	37.7	Very low	39 Å²	39	84.9 Å²	84.9	27%	0.273	49%	0.493	S	S	.	.			trans	-81.7	116.5	161.6	58	0	0	0	0	109	T29	T29-S31 PolarHBondContact O-N 2.97Å
32	L	33	Very low	38.8	Very low	96 Å²	96	84.1 Å²	84.1	50%	0.503	48%	0.476	S	S	.	.			trans	-84.1	114.5	167.9	178.5	68.1	0	0	0	108.4	I34	L32-I34 HydrophobicContact CD1-CG1 4.41Å; L32-I34 HydrophobicContact CD2-CD1 4.21Å; L32-I34 HydrophobicContact CD2-CG1 4.24Å; L32-I34 HydrophobicContact CG-CG1 4.09Å
33	T	39.2	Very low	40	Very low	4 Å²	4	82.5 Å²	82.5	3%	0.025	46%	0.462	C	S	.	.			trans	-114.5	101.8	174.1	-51.9	0	0	0	0	109.6	L79	T33-L79 WeakPolarHBondContact CB-O 3.35Å; T33-L79 PolarHBondContact O-N 2.97Å
34	I	45.1	Very low	41.3	Very low	72 Å²	72	74.6 Å²	74.6	37%	0.369	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.9	175.4	-59.8	177.4	0	0	0	108.9	L32 W76	L32-I34 HydrophobicContact CD1-CG1 4.41Å; L32-I34 HydrophobicContact CD2-CD1 4.21Å; L32-I34 HydrophobicContact CD2-CG1 4.24Å; L32-I34 HydrophobicContact CG-CG1 4.09Å; I34-W76 HydrophobicContact CG2-CD2 4.26Å; I34-W76 HydrophobicContact CG2-CE3 3.18Å; I34-W76 HydrophobicContact CG2-CZ3 3.35Å
35	S	41.8	Very low	42.9	Very low	6 Å²	6	72.8 Å²	72.8	4%	0.042	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.2	-179	-154.1	0	0	0	0	111.6	G37 W76 I77 R136	S35-G37 PolarHBondContact O-N 3.21Å; S35-W76 VanDerWaalsContact O-CE3 3.24Å; S35-I77 WeakPolarHBondContact CB-O 3.07Å; S35-R136 VanDerWaalsContact CB-CZ 3.43Å; S35-R136 VanDerWaalsContact OG-CD 3.27Å; S35-R136 WeakPolarHBondContact OG-CD 3.18Å; S35-R136 PolarHBondContact OG-NE 3.48Å; S35-R136 PolarHBondContact OG-NH1 3.12Å; S35-R136 PolarHBondContact OG-NH2 3.47Å
36	L	48.8	Very low	44.5	Very low	16 Å²	16	73.8 Å²	73.8	8%	0.084	41%	0.411	C	S	.	.			trans	-71.5	123.9	165.6	-75.4	154.8	0	0	0	108.7	A40 I44 F64 W76	L36-A40 HydrophobicContact CD2-CB 3.93Å; L36-I44 HydrophobicContact CD1-CD1 3.65Å; L36-I44 HydrophobicContact CD2-CD1 3.87Å; L36-I44 HydrophobicContact CG-CD1 4.36Å; L36-F64 HydrophobicContact CD2-CD2 4.23Å; L36-F64 HydrophobicContact CD2-CE2 4.36Å; L36-W76 HydrophobicContact CB-CZ3 4.49Å; L36-W76 HydrophobicContact CD1-CH2 4.4Å; L36-W76 HydrophobicContact CD2-CD2 4.36Å; L36-W76 HydrophobicContact CD2-CE3 4.19Å; L36-W76 HydrophobicContact CD2-CH2 3.19Å; L36-W76 HydrophobicContact CD2-CZ2 3.31Å; L36-W76 HydrophobicContact CD2-CZ3 3.64Å; L36-W76 HydrophobicContact CG-CE3 4.21Å; L36-W76 HydrophobicContact CG-CH2 3.57Å; L36-W76 HydrophobicContact CG-CZ2 4.18Å; L36-W76 HydrophobicContact CG-CZ3 3.56Å
37	G	47.7	Very low	46.1	Very low	18 Å²	18	71.2 Å²	71.2	19%	0.186	39%	0.389	C	S	.	.			trans	-63.1	153.6	172.3	0	0	0	0	0	111.4	S35 T39 A40 F41	S35-G37 PolarHBondContact O-N 3.21Å; G37-T39 PolarHBondContact O-N 3.48Å; G37-A40 PolarHBondContact O-N 3.41Å; G37-F41 PolarHBondContact O-N 3.17Å
38	L	41.5	Very low	47.5	Very low	137 Å²	137	66.2 Å²	66.2	72%	0.717	36%	0.364	S	S	*	.	H	α-helix	trans	-48.3	-40.7	-174	-71.1	167.1	0	0	0	113.6	F41 D42	L38-F41 WeakPolarHBondContact O-CB 3.03Å; L38-F41 PolarHBondContact O-N 3.06Å; L38-D42 PolarHBondContact O-N 3.38Å
39	T	47.4	Very low	49.2	Very low	94 Å²	94	62.7 Å²	62.7	58%	0.577	35%	0.348	S	S	*	.	H	α-helix	trans	-66.9	-40.2	179.5	51.5	0	0	0	0	113.5	G37 F41 A43	G37-T39 PolarHBondContact O-N 3.48Å; T39-F41 VanDerWaalsContact C-N 3.32Å; T39-A43 PolarHBondContact O-N 3.36Å
40	A	49.8	Very low	50.8	Low	26 Å²	26	64.4 Å²	64.4	22%	0.215	35%	0.346	C	S	.	.	H	α-helix	trans	-69.1	-37.2	174.2	0	0	0	0	0	110.3	L36 G37 I44	L36-A40 HydrophobicContact CD2-CB 3.93Å; G37-A40 PolarHBondContact O-N 3.41Å; A40-I44 WeakPolarHBondContact O-CD1 3.3Å; A40-I44 VanDerWaalsContact O-CG1 3.23Å; A40-I44 WeakPolarHBondContact O-CG1 3.31Å; A40-I44 PolarHBondContact O-N 3.28Å
41	F	54.6	Low	52.3	Low	14 Å²	14	60 Å²	60	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-46.8	177.1	-172.1	-93.6	0	0	0	112.6	G37 L38 T39 A43 I44 R45 V134 S135	G37-F41 PolarHBondContact O-N 3.17Å; L38-F41 WeakPolarHBondContact O-CB 3.03Å; L38-F41 PolarHBondContact O-N 3.06Å; T39-F41 VanDerWaalsContact C-N 3.32Å; F41-A43 VanDerWaalsContact C-N 3.31Å; F41-A43 PolarHBondContact O-N 3.44Å; F41-I44 CarbonylContact O-C 3.6Å; F41-I44 WeakPolarHBondContact O-CB 3.48Å; F41-I44 PolarHBondContact O-N 3.15Å; F41-I44 VanDerWaalsContact O-N 3.15Å; F41-R45 HydrophobicContact CD1-CB 4.48Å; F41-R45 HydrophobicContact CE1-CB 3.98Å; F41-R45 HydrophobicContact CE1-CG 4.42Å; F41-R45 HydrophobicContact CZ-CB 4.42Å; F41-R45 WeakPolarHBondContact O-CB 3.49Å; F41-R45 PolarHBondContact O-N 3.05Å; F41-V134 WeakPolarHBondContact CE1-O 3.41Å; F41-V134 HydrophobicContact CE2-CG1 4.23Å; F41-V134 VanDerWaalsContact CZ-C 3.45Å; F41-V134 HydrophobicContact CZ-CG1 4.2Å; F41-V134 WeakPolarHBondContact CZ-O 3.43Å; F41-S135 VanDerWaalsContact CD1-O 3.27Å; F41-S135 WeakPolarHBondContact CD1-O 3.27Å; F41-S135 VanDerWaalsContact CD2-C 3.43Å; F41-S135 WeakPolarHBondContact CD2-O 3.29Å; F41-S135 WeakPolarHBondContact CE2-O 3.18Å; F41-S135 WeakPolarHBondContact CG-O 3.12Å; F41-S135 VanDerWaalsContact CZ-C 3.41Å
42	D	54.5	Low	53.5	Low	77 Å²	77	62 Å²	62	41%	0.412	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-40.2	178.6	-80.2	-28.9	0	0	0	112	L38 I44 R45 Q46	L38-D42 PolarHBondContact O-N 3.38Å; D42-I44 PolarHBondContact O-N 3.3Å; D42-R45 PolarHBondContact O-N 2.93Å; D42-Q46 WeakPolarHBondContact O-CB 3.36Å; D42-Q46 VanDerWaalsContact O-CG 3.3Å; D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-N 3.01Å
43	A	56.9	Low	55.1	Low	44 Å²	44	63.2 Å²	63.2	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-42.5	174.5	0	0	0	0	0	111.8	T39 F41 Q47	T39-A43 PolarHBondContact O-N 3.36Å; F41-A43 VanDerWaalsContact C-N 3.31Å; F41-A43 PolarHBondContact O-N 3.44Å; A43-Q47 WeakPolarHBondContact O-CG 3.3Å; A43-Q47 PolarHBondContact O-N 2.85Å; A43-Q47 VanDerWaalsContact O-N 3.1Å
44	I	58	Low	56.4	Low	11 Å²	11	66.3 Å²	66.3	6%	0.056	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-48.2	175	-69.8	164.2	0	0	0	110.3	L36 A40 F41 D42 Q46 Q47 V48 L63	L36-I44 HydrophobicContact CD1-CD1 3.65Å; L36-I44 HydrophobicContact CD2-CD1 3.87Å; L36-I44 HydrophobicContact CG-CD1 4.36Å; A40-I44 WeakPolarHBondContact O-CD1 3.3Å; A40-I44 VanDerWaalsContact O-CG1 3.23Å; A40-I44 WeakPolarHBondContact O-CG1 3.31Å; A40-I44 PolarHBondContact O-N 3.28Å; F41-I44 CarbonylContact O-C 3.6Å; F41-I44 WeakPolarHBondContact O-CB 3.48Å; F41-I44 PolarHBondContact O-N 3.15Å; F41-I44 VanDerWaalsContact O-N 3.15Å; D42-I44 PolarHBondContact O-N 3.3Å; I44-Q46 VanDerWaalsContact C-N 3.33Å; I44-Q46 PolarHBondContact O-N 3.13Å; I44-Q47 PolarHBondContact O-N 3.45Å; I44-Q47 VanDerWaalsContact O-N 3.11Å; I44-V48 HydrophobicContact CG2-CG2 4.01Å; I44-V48 WeakPolarHBondContact O-CB 3.2Å; I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.44Å; I44-V48 PolarHBondContact O-N 3.5Å; I44-L63 HydrophobicContact CG2-CB 4.27Å; I44-L63 HydrophobicContact CG2-CD1 4.36Å; I44-L63 HydrophobicContact CG2-CD2 4.44Å
45	R	61.5	Low	57	Low	128 Å²	128	67.8 Å²	67.8	48%	0.483	36%	0.361	S	S	.	.	H	α-helix	trans	-56.5	-48	179.3	-176.5	-173.4	176.4	-154.1	0.6	110.7	F41 D42 Q47 V48 V49	F41-R45 HydrophobicContact CD1-CB 4.48Å; F41-R45 HydrophobicContact CE1-CB 3.98Å; F41-R45 HydrophobicContact CE1-CG 4.42Å; F41-R45 HydrophobicContact CZ-CB 4.42Å; F41-R45 WeakPolarHBondContact O-CB 3.49Å; F41-R45 PolarHBondContact O-N 3.05Å; D42-R45 PolarHBondContact O-N 2.93Å; R45-Q47 VanDerWaalsContact C-N 3.33Å; R45-Q47 PolarHBondContact O-N 3.32Å; R45-V48 PolarHBondContact O-N 3.16Å; R45-V49 HydrophobicContact CG-CG2 4.27Å; R45-V49 WeakPolarHBondContact O-CB 3.19Å; R45-V49 WeakPolarHBondContact O-CG2 3.47Å; R45-V49 PolarHBondContact O-N 3.23Å
46	Q	63.9	Low	58	Low	144 Å²	144	74.3 Å²	74.3	67%	0.673	40%	0.395	S	S	*	.	H	α-helix	trans	-59.8	-43	176.8	-74.7	179.5	0.8	0	0	111.9	D42 I44 K50	D42-Q46 WeakPolarHBondContact O-CB 3.36Å; D42-Q46 VanDerWaalsContact O-CG 3.3Å; D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-N 3.01Å; I44-Q46 VanDerWaalsContact C-N 3.33Å; I44-Q46 PolarHBondContact O-N 3.13Å; Q46-K50 WeakPolarHBondContact O-CB 3.3Å; Q46-K50 PolarHBondContact O-N 2.97Å
47	Q	63.1	Low	58.5	Low	86 Å²	86	81.3 Å²	81.3	40%	0.402	42%	0.42	S	S	.	.	H	α-helix	trans	-66.2	-43	176.9	-74.4	-170.1	75.4	0	0	112.9	A43 I44 R45 K50 F51 P61	A43-Q47 WeakPolarHBondContact O-CG 3.3Å; A43-Q47 PolarHBondContact O-N 2.85Å; A43-Q47 VanDerWaalsContact O-N 3.1Å; I44-Q47 PolarHBondContact O-N 3.45Å; I44-Q47 VanDerWaalsContact O-N 3.11Å; R45-Q47 VanDerWaalsContact C-N 3.33Å; R45-Q47 PolarHBondContact O-N 3.32Å; Q47-K50 PolarHBondContact O-N 2.8Å; Q47-F51 VanDerWaalsContact O-CB 3.31Å; Q47-F51 WeakPolarHBondContact O-CB 3.2Å; Q47-F51 PolarHBondContact O-N 2.92Å; Q47-P61 HydrophobicContact CB-CG 4.2Å
48	V	60.7	Low	58.8	Low	35 Å²	35	83.8 Å²	83.8	21%	0.212	43%	0.433	C	S	.	.	H	α-helix	trans	-63.4	-49.9	177.1	172	0	0	0	0	110.5	I44 R45 K50 F51 I52 L63	I44-V48 HydrophobicContact CG2-CG2 4.01Å; I44-V48 WeakPolarHBondContact O-CB 3.2Å; I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.44Å; I44-V48 PolarHBondContact O-N 3.5Å; R45-V48 PolarHBondContact O-N 3.16Å; V48-K50 VanDerWaalsContact C-N 3.34Å; V48-K50 PolarHBondContact O-N 3.38Å; V48-F51 WeakPolarHBondContact O-CB 3.32Å; V48-F51 PolarHBondContact O-N 2.94Å; V48-F51 VanDerWaalsContact O-N 3.13Å; V48-I52 HydrophobicContact CG1-CD1 3.63Å; V48-I52 HydrophobicContact CG1-CG1 4.27Å; V48-I52 VanDerWaalsContact O-CG1 3.3Å; V48-I52 WeakPolarHBondContact O-CG1 3.23Å; V48-I52 PolarHBondContact O-N 3.11Å; V48-L63 HydrophobicContact CG2-CD1 3.92Å; V48-L63 HydrophobicContact CG2-CD2 3.39Å; V48-L63 HydrophobicContact CG2-CG 4.3Å
49	V	65.5	Low	59.6	Low	61 Å²	61	81.4 Å²	81.4	37%	0.37	42%	0.424	S	S	.	.	H	α-helix	trans	-60.5	-45.4	178.9	170.6	0	0	0	0	110.4	R45 F51 I52 N53	R45-V49 HydrophobicContact CG-CG2 4.27Å; R45-V49 WeakPolarHBondContact O-CB 3.19Å; R45-V49 WeakPolarHBondContact O-CG2 3.47Å; R45-V49 PolarHBondContact O-N 3.23Å; V49-F51 VanDerWaalsContact C-N 3.29Å; V49-F51 PolarHBondContact O-N 3.1Å; V49-I52 PolarHBondContact O-N 3.39Å; V49-N53 VanDerWaalsContact O-CG 3.3Å; V49-N53 PolarHBondContact O-N 2.87Å; V49-N53 VanDerWaalsContact O-N 3.16Å; V49-N53 PolarHBondContact O-ND2 3.18Å
50	K	67.2	Low	60	Low	142 Å²	142	77.3 Å²	77.3	62%	0.617	40%	0.4	S	S	*	.	H	α-helix	trans	-59.7	-40.4	175.5	-172.9	177.2	-176.9	178.2	0	111.9	Q46 Q47 V48 Q54	Q46-K50 WeakPolarHBondContact O-CB 3.3Å; Q46-K50 PolarHBondContact O-N 2.97Å; Q47-K50 PolarHBondContact O-N 2.8Å; V48-K50 VanDerWaalsContact C-N 3.34Å; V48-K50 PolarHBondContact O-N 3.38Å; K50-Q54 WeakPolarHBondContact O-CG 3.29Å; K50-Q54 PolarHBondContact O-N 2.94Å
51	F	62.6	Low	60.6	Low	9 Å²	9	77.5 Å²	77.5	4%	0.039	40%	0.4	C	S	.	.	H	α-helix	trans	-69	-44	178	174.4	-113.8	0	0	0	113.1	Q47 V48 V49 N53 Q54 R57 T59 G60 P61 K166	Q47-F51 VanDerWaalsContact O-CB 3.31Å; Q47-F51 WeakPolarHBondContact O-CB 3.2Å; Q47-F51 PolarHBondContact O-N 2.92Å; V48-F51 WeakPolarHBondContact O-CB 3.32Å; V48-F51 PolarHBondContact O-N 2.94Å; V48-F51 VanDerWaalsContact O-N 3.13Å; V49-F51 VanDerWaalsContact C-N 3.29Å; V49-F51 PolarHBondContact O-N 3.1Å; F51-N53 PolarHBondContact O-N 3.43Å; F51-Q54 PolarHBondContact O-N 3.28Å; F51-R57 HydrophobicContact CD2-CB 4.42Å; F51-R57 HydrophobicContact CE2-CB 3.82Å; F51-R57 VanDerWaalsContact CE2-O 3.29Å; F51-R57 WeakPolarHBondContact CE2-O 3.49Å; F51-R57 WeakPolarHBondContact CZ-O 3.41Å; F51-T59 WeakPolarHBondContact CE2-O 3.23Å; F51-G60 VanDerWaalsContact CD2-CA 3.49Å; F51-G60 VanDerWaalsContact CE1-CA 3.45Å; F51-P61 VanDerWaalsContact CB-CD 3.47Å; F51-P61 HydrophobicContact CB-CG 4.03Å; F51-P61 HydrophobicContact CG-CG 4.43Å; F51-K166 HydrophobicContact CE1-CB 3.95Å; F51-K166 HydrophobicContact CZ-CB 3.86Å
52	I	61.9	Low	61	Low	83 Å²	83	80.3 Å²	80.3	43%	0.426	42%	0.418	S	S	.	.	H	α-helix	trans	-57	-40.4	177.8	-71.3	167.8	0	0	0	110.6	V48 V49 Q54 K166	V48-I52 HydrophobicContact CG1-CD1 3.63Å; V48-I52 HydrophobicContact CG1-CG1 4.27Å; V48-I52 VanDerWaalsContact O-CG1 3.3Å; V48-I52 WeakPolarHBondContact O-CG1 3.23Å; V48-I52 PolarHBondContact O-N 3.11Å; V49-I52 PolarHBondContact O-N 3.39Å; I52-Q54 VanDerWaalsContact C-N 3.3Å; I52-Q54 PolarHBondContact O-N 3.05Å; I52-K166 PolarHBondContact O-NZ 3.21Å
53	N	66.4	Low	61.3	Low	121 Å²	121	77.5 Å²	77.5	65%	0.647	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-8	-179.5	-67	-22.8	0	0	0	114.2	V49 F51	V49-N53 VanDerWaalsContact O-CG 3.3Å; V49-N53 PolarHBondContact O-N 2.87Å; V49-N53 VanDerWaalsContact O-N 3.16Å; V49-N53 PolarHBondContact O-ND2 3.18Å; F51-N53 PolarHBondContact O-N 3.43Å
54	Q	64.9	Low	61.5	Low	69 Å²	69	76.3 Å²	76.3	32%	0.322	39%	0.389	S	S	.	.			trans	-87.5	129.2	175.3	-78.1	178.1	-5.3	0	0	111.1	K50 F51 I52 K166	K50-Q54 WeakPolarHBondContact O-CG 3.29Å; K50-Q54 PolarHBondContact O-N 2.94Å; F51-Q54 PolarHBondContact O-N 3.28Å; I52-Q54 VanDerWaalsContact C-N 3.3Å; I52-Q54 PolarHBondContact O-N 3.05Å; Q54-K166 PolarHBondContact O-NZ 3.14Å
55	P	59	Low	61.8	Low	103 Å²	103	77.4 Å²	77.4	67%	0.669	40%	0.395	S	S	*	.	S	Bend	trans	-75.1	-29.6	-179.1	24.3	-28.8	0	0	0	113.5
56	D	62.6	Low	61.8	Low	143 Å²	143	74 Å²	74	77%	0.765	38%	0.384	S	S	*	.	S	Bend	trans	-110.6	6.2	-156.7	-57.9	-37.8	0	0	0	116.5
57	R	58.6	Low	61.7	Low	163 Å²	163	71.4 Å²	71.4	62%	0.615	38%	0.378	S	S	*	.			trans	-109	114.5	177.9	-92.7	-175.7	168.9	178.2	-4.1	112.5	F51 T59	F51-R57 HydrophobicContact CD2-CB 4.42Å; F51-R57 HydrophobicContact CE2-CB 3.82Å; F51-R57 VanDerWaalsContact CE2-O 3.29Å; F51-R57 WeakPolarHBondContact CE2-O 3.49Å; F51-R57 WeakPolarHBondContact CZ-O 3.41Å; R57-T59 VanDerWaalsContact C-N 3.31Å
58	P	54.2	Low	61.7	Low	69 Å²	69	72 Å²	72	45%	0.448	38%	0.381	S	S	.	.	S	Bend	trans	-73.9	-24.1	175.1	28.9	-33	0	0	0	112.8
59	T	58.1	Low	61.4	Low	88 Å²	88	77.2 Å²	77.2	54%	0.54	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.7	178.2	-50.5	0	0	0	0	109.1	F51 R57 L165	F51-T59 WeakPolarHBondContact CE2-O 3.23Å; R57-T59 VanDerWaalsContact C-N 3.31Å; T59-L165 HydrophobicContact CG2-CD2 4.09Å
60	G	57.1	Low	60.9	Low	7 Å²	7	83 Å²	83	7%	0.072	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	166.8	176.8	0	0	0	0	0	113.5	F51 A164	F51-G60 VanDerWaalsContact CD2-CA 3.49Å; F51-G60 VanDerWaalsContact CE1-CA 3.45Å; G60-A164 WeakPolarHBondContact CA-O 3.45Å; G60-A164 PolarHBondContact N-O 2.88Å; G60-A164 VanDerWaalsContact N-O 3.17Å
61	P	60.5	Low	60.2	Low	31 Å²	31	78.9 Å²	78.9	20%	0.201	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	146	173.9	26.6	-32.8	0	0	0	109.2	Q47 F51 L63	Q47-P61 HydrophobicContact CB-CG 4.2Å; F51-P61 VanDerWaalsContact CB-CD 3.47Å; F51-P61 HydrophobicContact CB-CG 4.03Å; F51-P61 HydrophobicContact CG-CG 4.43Å; P61-L63 HydrophobicContact CG-CD2 4.25Å; P61-L63 PolarHBondContact O-N 3.05Å
62	V	63.5	Low	59.5	Low	72 Å²	72	84.8 Å²	84.8	44%	0.436	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	112.9	164.8	177.3	0	0	0	0	106.3	F64 N65 F161	V62-F64 VanDerWaalsContact C-N 3.32Å; V62-F64 VanDerWaalsContact CG1-O 3.3Å; V62-F64 WeakPolarHBondContact CG1-O 3.49Å; V62-N65 HydrophobicContact CG1-CB 3.88Å; V62-F161 HydrophobicContact CG1-CB 4.02Å
63	L	61.4	Low	58.7	Low	19 Å²	19	84.2 Å²	84.2	10%	0.099	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-37.7	-176.9	-58.5	-171.9	0	0	0	110.4	I44 V48 P61 I162 A164	I44-L63 HydrophobicContact CG2-CB 4.27Å; I44-L63 HydrophobicContact CG2-CD1 4.36Å; I44-L63 HydrophobicContact CG2-CD2 4.44Å; V48-L63 HydrophobicContact CG2-CD1 3.92Å; V48-L63 HydrophobicContact CG2-CD2 3.39Å; V48-L63 HydrophobicContact CG2-CG 4.3Å; P61-L63 HydrophobicContact CG-CD2 4.25Å; P61-L63 PolarHBondContact O-N 3.05Å; L63-I162 WeakPolarHBondContact CB-O 3.31Å; L63-I162 HydrophobicContact CD1-CG2 4.4Å; L63-I162 PolarHBondContact N-O 3.05Å; L63-A164 HydrophobicContact CD1-CB 4.03Å; L63-A164 HydrophobicContact CD2-CB 4.33Å; L63-A164 HydrophobicContact CG-CB 4.34Å
64	F	61.4	Low	57.3	Low	19 Å²	19	83.9 Å²	83.9	8%	0.083	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	131.9	174.2	-156.8	-89.2	0	0	0	109.9	L36 V62 F66 N71 W76 F161 I162	L36-F64 HydrophobicContact CD2-CD2 4.23Å; L36-F64 HydrophobicContact CD2-CE2 4.36Å; V62-F64 VanDerWaalsContact C-N 3.32Å; V62-F64 VanDerWaalsContact CG1-O 3.3Å; V62-F64 WeakPolarHBondContact CG1-O 3.49Å; F64-F66 HydrophobicContact CB-CE2 4.34Å; F64-F66 HydrophobicContact CD1-CB 4.48Å; F64-F66 AromaticContact CD1-CD1 3.58Å; F64-F66 HydrophobicContact CD1-CD1 3.58Å; F64-F66 AromaticContact CD1-CD2 3.53Å; F64-F66 HydrophobicContact CD1-CD2 3.53Å; F64-F66 AromaticContact CD1-CE1 3.48Å; F64-F66 HydrophobicContact CD1-CE1 3.48Å; F64-F66 VanDerWaalsContact CD1-CE1 3.48Å; F64-F66 AromaticContact CD1-CE2 3.44Å; F64-F66 HydrophobicContact CD1-CE2 3.44Å; F64-F66 VanDerWaalsContact CD1-CE2 3.44Å; F64-F66 AromaticContact CD1-CG 3.59Å; F64-F66 HydrophobicContact CD1-CG 3.59Å; F64-F66 AromaticContact CD1-CZ 3.4Å; F64-F66 HydrophobicContact CD1-CZ 3.4Å; F64-F66 VanDerWaalsContact CD1-CZ 3.4Å; F64-F66 HydrophobicContact CE1-CB 4.36Å; F64-F66 AromaticContact CE1-CD1 3.29Å; F64-F66 HydrophobicContact CE1-CD1 3.29Å; F64-F66 HydrophobicContact CE1-CD2 4.11Å; F64-F66 AromaticContact CE1-CE1 3.39Å; F64-F66 HydrophobicContact CE1-CE1 3.39Å; F64-F66 HydrophobicContact CE1-CE2 4.2Å; F64-F66 AromaticContact CE1-CG 3.66Å; F64-F66 HydrophobicContact CE1-CG 3.66Å; F64-F66 AromaticContact CE1-CZ 3.86Å; F64-F66 HydrophobicContact CE1-CZ 3.86Å; F64-F66 HydrophobicContact CG-CE2 4.24Å; F64-F66 HydrophobicContact CG-CZ 4.18Å; F64-F66 HydrophobicContact CZ-CD1 4.45Å; F64-F66 HydrophobicContact CZ-CE1 4.39Å; F64-N71 HydrophobicContact CE1-CB 4.22Å; F64-N71 HydrophobicContact CE2-CB 4.18Å; F64-N71 HydrophobicContact CZ-CB 3.64Å; F64-W76 HydrophobicContact CD1-CZ2 4.23Å; F64-W76 AromaticContact CD2-CZ2 3.98Å; F64-W76 HydrophobicContact CD2-CZ2 3.98Å; F64-W76 AromaticContact CE1-CZ2 3.74Å; F64-W76 HydrophobicContact CE1-CZ2 3.74Å; F64-W76 HydrophobicContact CE2-CH2 4.45Å; F64-W76 AromaticContact CE2-CZ2 3.48Å; F64-W76 HydrophobicContact CE2-CZ2 3.48Å; F64-W76 VanDerWaalsContact CE2-CZ2 3.48Å; F64-W76 HydrophobicContact CG-CZ2 4.33Å; F64-W76 AromaticContact CZ-CE2 3.95Å; F64-W76 HydrophobicContact CZ-CH2 4.43Å; F64-W76 AromaticContact CZ-CZ2 3.35Å; F64-W76 HydrophobicContact CZ-CZ2 3.35Å; F64-W76 AromaticContact CZ-NE1 3.94Å; F64-F161 WeakPolarHBondContact O-CA 3.17Å; F64-I162 PolarHBondContact N-O 2.94Å; F64-I162 PolarHBondContact O-N 3.44Å; F64-I162 VanDerWaalsContact O-N 3.07Å
65	N	63.6	Low	56.2	Low	33 Å²	33	87.8 Å²	87.8	18%	0.176	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	106.2	172.6	-172	1.4	0	0	0	108.8	V62 T67 E68 N71	V62-N65 HydrophobicContact CG1-CB 3.88Å; N65-T67 PolarHBondContact ND2-OG1 2.85Å; N65-T67 PolarHBondContact O-N 2.77Å; N65-T67 PolarHBondContact OD1-N 3.44Å; N65-T67 VanDerWaalsContact OD1-N 3.15Å; N65-T67 PolarHBondContact OD1-OG1 3.37Å; N65-E68 HydrophobicContact CB-CB 4.39Å; N65-E68 HydrophobicContact CB-CG 4.16Å; N65-E68 WeakPolarHBondContact CB-OE1 3.33Å; N65-E68 WeakPolarHBondContact ND2-CG 3.21Å; N65-E68 PolarHBondContact ND2-OE1 3.07Å; N65-E68 PolarHBondContact O-N 2.85Å; N65-N71 PolarHBondContact O-ND2 3Å
66	F	62.6	Low	55.4	Low	57 Å²	57	85.3 Å²	85.3	25%	0.25	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.1	-179	-66.9	-87.1	0	0	0	112.5	F64 W76 I159 Y160 I162	F64-F66 HydrophobicContact CB-CE2 4.34Å; F64-F66 HydrophobicContact CD1-CB 4.48Å; F64-F66 AromaticContact CD1-CD1 3.58Å; F64-F66 HydrophobicContact CD1-CD1 3.58Å; F64-F66 AromaticContact CD1-CD2 3.53Å; F64-F66 HydrophobicContact CD1-CD2 3.53Å; F64-F66 AromaticContact CD1-CE1 3.48Å; F64-F66 HydrophobicContact CD1-CE1 3.48Å; F64-F66 VanDerWaalsContact CD1-CE1 3.48Å; F64-F66 AromaticContact CD1-CE2 3.44Å; F64-F66 HydrophobicContact CD1-CE2 3.44Å; F64-F66 VanDerWaalsContact CD1-CE2 3.44Å; F64-F66 AromaticContact CD1-CG 3.59Å; F64-F66 HydrophobicContact CD1-CG 3.59Å; F64-F66 AromaticContact CD1-CZ 3.4Å; F64-F66 HydrophobicContact CD1-CZ 3.4Å; F64-F66 VanDerWaalsContact CD1-CZ 3.4Å; F64-F66 HydrophobicContact CE1-CB 4.36Å; F64-F66 AromaticContact CE1-CD1 3.29Å; F64-F66 HydrophobicContact CE1-CD1 3.29Å; F64-F66 HydrophobicContact CE1-CD2 4.11Å; F64-F66 AromaticContact CE1-CE1 3.39Å; F64-F66 HydrophobicContact CE1-CE1 3.39Å; F64-F66 HydrophobicContact CE1-CE2 4.2Å; F64-F66 AromaticContact CE1-CG 3.66Å; F64-F66 HydrophobicContact CE1-CG 3.66Å; F64-F66 AromaticContact CE1-CZ 3.86Å; F64-F66 HydrophobicContact CE1-CZ 3.86Å; F64-F66 HydrophobicContact CG-CE2 4.24Å; F64-F66 HydrophobicContact CG-CZ 4.18Å; F64-F66 HydrophobicContact CZ-CD1 4.45Å; F64-F66 HydrophobicContact CZ-CE1 4.39Å; F66-W76 AromaticContact CE1-CH2 3.85Å; F66-W76 HydrophobicContact CE1-CH2 3.85Å; F66-W76 AromaticContact CE1-CZ2 3.94Å; F66-W76 HydrophobicContact CE1-CZ2 3.94Å; F66-W76 AromaticContact CZ-CH2 3.95Å; F66-W76 HydrophobicContact CZ-CH2 3.95Å; F66-W76 HydrophobicContact CZ-CZ2 4.38Å; F66-I159 VanDerWaalsContact CB-O 3.23Å; F66-I159 WeakPolarHBondContact CB-O 3.23Å; F66-I159 HydrophobicContact CD2-CB 4.14Å; F66-I159 HydrophobicContact CD2-CG2 3.86Å; F66-I159 WeakPolarHBondContact CD2-O 3.46Å; F66-I159 HydrophobicContact CE2-CB 4.03Å; F66-I159 HydrophobicContact CE2-CG2 3.57Å; F66-I159 WeakPolarHBondContact CG-O 3.33Å; F66-I159 HydrophobicContact CZ-CG2 4.48Å; F66-Y160 PolarHBondContact N-O 3Å; F66-I162 HydrophobicContact CE2-CD1 4.27Å; F66-I162 HydrophobicContact CE2-CG1 4.34Å
67	T	60.4	Low	54.3	Low	89 Å²	89	83.8 Å²	83.8	55%	0.546	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-11.4	175.6	74.2	0	0	0	0	113.2	N65 Y160	N65-T67 PolarHBondContact ND2-OG1 2.85Å; N65-T67 PolarHBondContact O-N 2.77Å; N65-T67 PolarHBondContact OD1-N 3.44Å; N65-T67 VanDerWaalsContact OD1-N 3.15Å; N65-T67 PolarHBondContact OD1-OG1 3.37Å; T67-Y160 HydrophobicContact CG2-CD1 4.04Å
68	E	62.8	Low	53.3	Low	98 Å²	98	81.9 Å²	81.9	46%	0.458	43%	0.425	S	S	.	.			trans	-81.7	118.4	-178.8	-88.7	167.1	-146.2	0	0	111.5	N65 Q70 N71	N65-E68 HydrophobicContact CB-CB 4.39Å; N65-E68 HydrophobicContact CB-CG 4.16Å; N65-E68 WeakPolarHBondContact CB-OE1 3.33Å; N65-E68 WeakPolarHBondContact ND2-CG 3.21Å; N65-E68 PolarHBondContact ND2-OE1 3.07Å; N65-E68 PolarHBondContact O-N 2.85Å; E68-Q70 PolarHBondContact O-N 2.97Å; E68-Q70 VanDerWaalsContact O-N 3.09Å; E68-N71 HydrophobicContact CB-CB 4.3Å; E68-N71 WeakPolarHBondContact CB-ND2 3.36Å; E68-N71 WeakPolarHBondContact O-CB 3.49Å; E68-N71 PolarHBondContact O-N 3.05Å; E68-N71 PolarHBondContact OE2-ND2 2.84Å
69	I	54.2	Low	52.6	Low	146 Å²	146	82.2 Å²	82.2	75%	0.749	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.5	-177.8	-63.6	166.9	0	0	0	112.6	K72	I69-K72 WeakPolarHBondContact O-CG 3.37Å
70	Q	55.5	Low	51.6	Low	183 Å²	183	81.2 Å²	81.2	86%	0.855	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-20.5	178.3	-64	-171.5	9.6	0	0	113.3	E68 K72	E68-Q70 PolarHBondContact O-N 2.97Å; E68-Q70 VanDerWaalsContact O-N 3.09Å; Q70-K72 PolarHBondContact O-N 3.15Å
71	N	51.9	Low	50.6	Low	55 Å²	55	84.5 Å²	84.5	29%	0.294	44%	0.435	S	S	.	.	S	Bend	trans	-80.5	44.6	174.2	-66.8	-26.8	0	0	0	110.7	F64 N65 E68 L73	F64-N71 HydrophobicContact CE1-CB 4.22Å; F64-N71 HydrophobicContact CE2-CB 4.18Å; F64-N71 HydrophobicContact CZ-CB 3.64Å; N65-N71 PolarHBondContact O-ND2 3Å; E68-N71 HydrophobicContact CB-CB 4.3Å; E68-N71 WeakPolarHBondContact CB-ND2 3.36Å; E68-N71 WeakPolarHBondContact O-CB 3.49Å; E68-N71 PolarHBondContact O-N 3.05Å; E68-N71 PolarHBondContact OE2-ND2 2.84Å; N71-L73 PolarHBondContact O-N 3.49Å
72	K	48.3	Very low	49.3	Very low	132 Å²	132	88 Å²	88	57%	0.574	46%	0.456	S	S	*	.			trans	-55.8	122.8	-173	-65.8	-171	172.9	-179.6	0	110.3	I69 Q70 C74	I69-K72 WeakPolarHBondContact O-CG 3.37Å; Q70-K72 PolarHBondContact O-N 3.15Å; K72-C74 VanDerWaalsContact CB-SG 3.51Å; K72-C74 PolarHBondContact O-N 3.4Å
73	L	45.2	Very low	47.8	Very low	71 Å²	71	91.8 Å²	91.8	37%	0.372	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-57.8	-9.7	178.1	-87.5	134.6	0	0	0	114.3	I13 N71 K75 W76	I13-L73 HydrophobicContact CD1-CD1 4.21Å; N71-L73 PolarHBondContact O-N 3.49Å; L73-K75 PolarHBondContact O-N 2.76Å; L73-W76 VanDerWaalsContact CA-CD1 3.46Å; L73-W76 HydrophobicContact CD2-CD2 4.17Å; L73-W76 HydrophobicContact CD2-CG 4.05Å; L73-W76 WeakPolarHBondContact O-CB 3.42Å; L73-W76 VanDerWaalsContact O-CD1 3.27Å; L73-W76 PolarHBondContact O-N 3.34Å
74	C	38	Very low	46.5	Very low	114 Å²	114	93.3 Å²	93.3	77%	0.77	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-65.1	-2.9	179.4	3.4	0	0	0	0	115.5	K72	K72-C74 VanDerWaalsContact CB-SG 3.51Å; K72-C74 PolarHBondContact O-N 3.4Å
75	K	41.1	Very low	45.1	Very low	152 Å²	152	99 Å²	99	66%	0.661	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-100.1	1.2	170.1	-71.1	-171.7	177.9	-177.9	0	114.3	L73	L73-K75 PolarHBondContact O-N 2.76Å
76	W	42.4	Very low	43.8	Very low	50 Å²	50	105.8 Å²	105.8	19%	0.189	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-89.9	123.3	-178.7	-64.4	62.7	0	0	0	108.7	I34 S35 L36 F64 F66 L73	I34-W76 HydrophobicContact CG2-CD2 4.26Å; I34-W76 HydrophobicContact CG2-CE3 3.18Å; I34-W76 HydrophobicContact CG2-CZ3 3.35Å; S35-W76 VanDerWaalsContact O-CE3 3.24Å; L36-W76 HydrophobicContact CB-CZ3 4.49Å; L36-W76 HydrophobicContact CD1-CH2 4.4Å; L36-W76 HydrophobicContact CD2-CD2 4.36Å; L36-W76 HydrophobicContact CD2-CE3 4.19Å; L36-W76 HydrophobicContact CD2-CH2 3.19Å; L36-W76 HydrophobicContact CD2-CZ2 3.31Å; L36-W76 HydrophobicContact CD2-CZ3 3.64Å; L36-W76 HydrophobicContact CG-CE3 4.21Å; L36-W76 HydrophobicContact CG-CH2 3.57Å; L36-W76 HydrophobicContact CG-CZ2 4.18Å; L36-W76 HydrophobicContact CG-CZ3 3.56Å; F64-W76 HydrophobicContact CD1-CZ2 4.23Å; F64-W76 AromaticContact CD2-CZ2 3.98Å; F64-W76 HydrophobicContact CD2-CZ2 3.98Å; F64-W76 AromaticContact CE1-CZ2 3.74Å; F64-W76 HydrophobicContact CE1-CZ2 3.74Å; F64-W76 HydrophobicContact CE2-CH2 4.45Å; F64-W76 AromaticContact CE2-CZ2 3.48Å; F64-W76 HydrophobicContact CE2-CZ2 3.48Å; F64-W76 VanDerWaalsContact CE2-CZ2 3.48Å; F64-W76 HydrophobicContact CG-CZ2 4.33Å; F64-W76 AromaticContact CZ-CE2 3.95Å; F64-W76 HydrophobicContact CZ-CH2 4.43Å; F64-W76 AromaticContact CZ-CZ2 3.35Å; F64-W76 HydrophobicContact CZ-CZ2 3.35Å; F64-W76 AromaticContact CZ-NE1 3.94Å; F66-W76 AromaticContact CE1-CH2 3.85Å; F66-W76 HydrophobicContact CE1-CH2 3.85Å; F66-W76 AromaticContact CE1-CZ2 3.94Å; F66-W76 HydrophobicContact CE1-CZ2 3.94Å; F66-W76 AromaticContact CZ-CH2 3.95Å; F66-W76 HydrophobicContact CZ-CH2 3.95Å; F66-W76 HydrophobicContact CZ-CZ2 4.38Å; L73-W76 VanDerWaalsContact CA-CD1 3.46Å; L73-W76 HydrophobicContact CD2-CD2 4.17Å; L73-W76 HydrophobicContact CD2-CG 4.05Å; L73-W76 WeakPolarHBondContact O-CB 3.42Å; L73-W76 VanDerWaalsContact O-CD1 3.27Å; L73-W76 PolarHBondContact O-N 3.34Å
77	I	39.5	Very low	42.4	Very low	112 Å²	112	105.6 Å²	105.6	57%	0.574	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.1	122.5	174.6	-60.1	172.7	0	0	0	105.8	S35 L79	S35-I77 WeakPolarHBondContact CB-O 3.07Å; I77-L79 HydrophobicContact CG2-CD2 4.38Å; I77-L79 HydrophobicContact CG2-CG 4.24Å; I77-L79 PolarHBondContact O-N 2.95Å
78	E	37.5	Very low	41.4	Very low	122 Å²	122	106.1 Å²	106.1	57%	0.57	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-62.1	119.4	164.6	-175.8	179.5	174.8	0	0	107.8
79	L	39.3	Very low	40.3	Very low	77 Å²	77	103.2 Å²	103.2	40%	0.403	56%	0.562	S	S	.	*			trans	-116.4	91.6	173	-78.8	172.5	0	0	0	106.5	T33 I77 D81 R136	T33-L79 WeakPolarHBondContact CB-O 3.35Å; T33-L79 PolarHBondContact O-N 2.97Å; I77-L79 HydrophobicContact CG2-CD2 4.38Å; I77-L79 HydrophobicContact CG2-CG 4.24Å; I77-L79 PolarHBondContact O-N 2.95Å; L79-D81 PolarHBondContact O-N 2.95Å; L79-R136 PolarHBondContact O-NH2 2.94Å
80	S	36.5	Very low	39.7	Very low	67 Å²	67	98.8 Å²	98.8	47%	0.469	54%	0.54	S	S	.	.			trans	-66.5	122.4	167.9	58.9	0	0	0	0	108.9	T82	S80-T82 VanDerWaalsContact C-N 3.3Å; S80-T82 PolarHBondContact O-N 3.05Å
81	D	36.6	Very low	38.8	Very low	75 Å²	75	91.8 Å²	91.8	40%	0.401	51%	0.514	S	S	.	.			trans	-77	83	176.3	-100.6	-35.1	0	0	0	111.1	L79 R88	L79-D81 PolarHBondContact O-N 2.95Å; D81-R88 IonicContact OD1-CZ 2.96Å; D81-R88 IonicContact OD1-NE 3.54Å; D81-R88 IonicContact OD1-NH1 2.56Å; D81-R88 PolarHBondContact OD1-NH1 2.83Å; D81-R88 IonicContact OD1-NH2 3.49Å; D81-R88 PolarHBondContact OD1-NH2 2.75Å; D81-R88 WeakPolarHBondContact OD2-CD 3.42Å; D81-R88 IonicContact OD2-CZ 3.47Å; D81-R88 IonicContact OD2-NE 3.7Å; D81-R88 IonicContact OD2-NH1 2.67Å; D81-R88 PolarHBondContact OD2-NH1 3.25Å
82	T	32.8	Very low	38.1	Very low	105 Å²	105	92.4 Å²	92.4	64%	0.644	52%	0.519	S	S	*	.			trans	-127.3	103.3	161	50.5	0	0	0	0	107.9	S80	S80-T82 VanDerWaalsContact C-N 3.3Å; S80-T82 PolarHBondContact O-N 3.05Å
83	V	32.5	Very low	37.6	Very low	152 Å²	152	89.1 Å²	89.1	92%	0.921	51%	0.508	S	S	*	.	S	Bend	trans	77.4	105.4	163.1	-162.6	0	0	0	0	115.9
84	G	34.5	Very low	37.1	Very low	51 Å²	51	91.2 Å²	91.2	53%	0.526	52%	0.523	S	S	.	.			trans	149.7	96.4	160.5	0	0	0	0	0	115.3
85	V	32.8	Very low	36.9	Very low	138 Å²	138	96.2 Å²	96.2	84%	0.836	53%	0.526	S	S	*	.			trans	35.6	108.7	146.7	-146.6	0	0	0	0	118
86	E	34.9	Very low	36.6	Very low	176 Å²	176	97.2 Å²	97.2	82%	0.822	53%	0.532	S	S	*	.	S	Bend	trans	129.6	136.7	157	-72.9	-177.8	173.3	0	0	113.1	R88	E86-R88 PolarHBondContact O-N 2.95Å; E86-R88 VanDerWaalsContact O-N 3.12Å
87	G	33.7	Very low	36	Very low	53 Å²	53	101.7 Å²	101.7	55%	0.546	57%	0.565	S	S	.	*			trans	-63.6	108.7	-168.6	0	0	0	0	0	113
88	R	40.1	Very low	35.7	Very low	99 Å²	99	99.3 Å²	99.3	37%	0.374	56%	0.562	S	S	.	*			trans	-97.3	129	173.9	-65.8	-175.2	-176.9	-169.5	11.3	109.9	D81 E86 D90	D81-R88 IonicContact OD1-CZ 2.96Å; D81-R88 IonicContact OD1-NE 3.54Å; D81-R88 IonicContact OD1-NH1 2.56Å; D81-R88 PolarHBondContact OD1-NH1 2.83Å; D81-R88 IonicContact OD1-NH2 3.49Å; D81-R88 PolarHBondContact OD1-NH2 2.75Å; D81-R88 WeakPolarHBondContact OD2-CD 3.42Å; D81-R88 IonicContact OD2-CZ 3.47Å; D81-R88 IonicContact OD2-NE 3.7Å; D81-R88 IonicContact OD2-NH1 2.67Å; D81-R88 PolarHBondContact OD2-NH1 3.25Å; E86-R88 PolarHBondContact O-N 2.95Å; E86-R88 VanDerWaalsContact O-N 3.12Å; R88-D90 PolarHBondContact O-N 3.1Å
89	S	39.1	Very low	35.6	Very low	37 Å²	37	104.2 Å²	104.2	26%	0.259	58%	0.577	S	S	.	*			trans	-83.8	110	168.2	-67.7	0	0	0	0	109.6	A91 F130	S89-A91 PolarHBondContact O-N 3.27Å; S89-F130 WeakPolarHBondContact OG-CE2 3.47Å; S89-F130 WeakPolarHBondContact OG-CZ 3.18Å
90	D	41.7	Very low	35.6	Very low	54 Å²	54	108 Å²	108	29%	0.289	60%	0.596	S	S	.	*			trans	-78.5	117.5	170.7	-70.9	-32.9	0	0	0	109.8	R88 N117	R88-D90 PolarHBondContact O-N 3.1Å; D90-N117 HydrophobicContact CB-CB 4.5Å; D90-N117 PolarHBondContact O-ND2 3.25Å
91	A	36.5	Very low	36.2	Very low	35 Å²	35	108 Å²	108	29%	0.289	60%	0.596	S	S	.	*			trans	-94.3	107.9	162.1	0	0	0	0	0	108.4	S89 F114	S89-A91 PolarHBondContact O-N 3.27Å; A91-F114 HydrophobicContact CB-CD1 3.75Å; A91-F114 HydrophobicContact CB-CE1 3.4Å; A91-F114 VanDerWaalsContact CB-CE1 3.4Å
92	V	38.1	Very low	37.1	Very low	69 Å²	69	116.7 Å²	116.7	42%	0.418	62%	0.623	S	S	.	*			trans	-81	120.2	175.4	179.5	0	0	0	0	108.8	V94 Y142	V92-V94 HydrophobicContact CG1-CG2 3.93Å; V92-V94 PolarHBondContact O-N 3.48Å; V92-V94 VanDerWaalsContact O-N 3.11Å; V92-Y142 HydrophobicContact CB-CE2 4.13Å; V92-Y142 HydrophobicContact CG1-CD2 3.68Å; V92-Y142 HydrophobicContact CG1-CE2 3.6Å; V92-Y142 HydrophobicContact CG2-CE2 3.72Å
93	L	36.4	Very low	38.6	Very low	63 Å²	63	114 Å²	114	33%	0.33	62%	0.616	S	S	.	*			trans	-73.6	98.3	163.9	-72.2	171.8	0	0	0	107.8	R95 L109 I139	L93-R95 PolarHBondContact O-N 3.29Å; L93-L109 HydrophobicContact CD2-CD1 3.86Å; L93-I139 HydrophobicContact CD1-CG2 3.77Å
94	V	34.5	Very low	40.3	Very low	114 Å²	114	116.1 Å²	116.1	69%	0.691	61%	0.608	S	S	*	*			trans	-79.1	122.7	171.6	-173.9	0	0	0	0	107.9	V92 H96	V92-V94 HydrophobicContact CG1-CG2 3.93Å; V92-V94 PolarHBondContact O-N 3.48Å; V92-V94 VanDerWaalsContact O-N 3.11Å; V94-H96 PolarHBondContact O-N 3.46Å
95	R	35.6	Very low	42	Very low	219 Å²	219	119.6 Å²	119.6	83%	0.826	61%	0.61	S	S	*	*			trans	-59.2	107	168.9	-171.6	-179.5	-169.4	-172.5	4.4	107.6	L93 V97	L93-R95 PolarHBondContact O-N 3.29Å; R95-V97 PolarHBondContact O-N 3.03Å
96	H	33.5	Very low	43.9	Very low	173 Å²	173	119.4 Å²	119.4	80%	0.801	60%	0.6	S	S	*	*			trans	-62.9	114.8	164.4	-113.3	-100.8	0	0	0	106.2	V94 A98	V94-H96 PolarHBondContact O-N 3.46Å; H96-A98 VanDerWaalsContact C-N 3.27Å; H96-A98 PolarHBondContact O-N 2.93Å
97	V	30.4	Very low	45.7	Very low	145 Å²	145	116.4 Å²	116.4	88%	0.879	59%	0.589	S	S	*	*			trans	-59.3	92.9	175.2	178.7	0	0	0	0	107.3	R95	R95-V97 PolarHBondContact O-N 3.03Å
98	A	32	Very low	47.5	Very low	62 Å²	62	120.8 Å²	120.8	51%	0.512	59%	0.593	S	S	.	*			trans	-160.7	101.7	173.6	0	0	0	0	0	110.8	H96	H96-A98 VanDerWaalsContact C-N 3.27Å; H96-A98 PolarHBondContact O-N 2.93Å
99	Y	36.7	Very low	49	Very low	225 Å²	225	120.3 Å²	120.3	88%	0.882	60%	0.597	S	S	*	*			trans	54	126.2	153.7	-87.5	-98.9	0	0	0	119.6	S101	Y99-S101 PolarHBondContact O-N 3.45Å
100	I	39	Very low	50.5	Low	157 Å²	157	121.3 Å²	121.3	81%	0.805	60%	0.602	S	S	*	*			trans	-63.8	75.2	169.4	-46.2	171.6	0	0	0	109.2
101	S	48	Very low	51.6	Low	65 Å²	65	123.5 Å²	123.5	46%	0.455	61%	0.61	S	S	.	*			trans	-83.7	116.9	158	66	0	0	0	0	106.4	Y99 G103 Q105	Y99-S101 PolarHBondContact O-N 3.45Å; S101-G103 PolarHBondContact O-N 2.84Å; S101-Q105 PolarHBondContact OG-NE2 3.11Å; S101-Q105 VanDerWaalsContact OG-NE2 3.1Å
102	R	57.3	Low	52.9	Low	258 Å²	258	128.7 Å²	128.7	97%	0.974	63%	0.628	S	S	*	*	S	Bend	trans	-64.1	24	170.8	-68.6	-174.2	172.9	-137.9	1.3	113.5
103	G	64.1	Low	54.2	Low	49 Å²	49	129.3 Å²	129.3	51%	0.505	63%	0.632	S	S	.	*	S	Bend	trans	-117.9	167.2	-174.4	0	0	0	0	0	112.3	S101	S101-G103 PolarHBondContact O-N 2.84Å
104	R	67.8	Low	55.5	Low	197 Å²	197	129.5 Å²	129.5	74%	0.743	63%	0.63	S	S	*	*			trans	-69	136	176.1	-63	176.6	-175.2	143	-0.4	109.9	Y160	R104-Y160 HydrophobicContact CG-CE2 4.19Å; R104-Y160 VanDerWaalsContact CZ-CE1 3.42Å; R104-Y160 PolarHBondContact NE-OH 2.99Å; R104-Y160 VanDerWaalsContact NH2-CZ 3.31Å; R104-Y160 PolarHBondContact NH2-OH 2.97Å
105	Q	69.4	Low	56.8	Low	123 Å²	123	130 Å²	130	58%	0.575	62%	0.623	S	S	*	*			trans	-114.3	142.2	174.5	-64.7	-175.6	0.4	0	0	110.2	S101	S101-Q105 PolarHBondContact OG-NE2 3.11Å; S101-Q105 VanDerWaalsContact OG-NE2 3.1Å
106	Q	74.1	Confident	57.7	Low	135 Å²	135	120 Å²	120	63%	0.631	59%	0.588	S	S	*	*			trans	-96.3	119.3	170.3	-176.7	179.7	2.3	0	0	109.3	K108	Q106-K108 HydrophobicContact CG-CG 4.43Å
107	I	71.1	Confident	58.7	Low	113 Å²	113	113.1 Å²	113.1	58%	0.579	56%	0.557	S	S	*	*			trans	-97.7	123.9	173.2	-56.6	174.8	0	0	0	108	L109	I107-L109 HydrophobicContact CG2-CD2 3.79Å; I107-L109 HydrophobicContact CG2-CG 4.06Å
108	K	72.1	Confident	59.6	Low	145 Å²	145	110.4 Å²	110.4	63%	0.63	53%	0.533	S	S	*	.			trans	-105.5	122.9	173	-66.2	-178	-177.1	175.7	0	108.4	Q106	Q106-K108 HydrophobicContact CG-CG 4.43Å
109	L	72.2	Confident	60.5	Low	89 Å²	89	118 Å²	118	47%	0.466	55%	0.548	S	S	.	.			trans	-112.9	101	179.3	-59.7	175.7	0	0	0	108.6	L93 I107 F111 F114	L93-L109 HydrophobicContact CD2-CD1 3.86Å; I107-L109 HydrophobicContact CG2-CD2 3.79Å; I107-L109 HydrophobicContact CG2-CG 4.06Å; L109-F111 PolarHBondContact O-N 3.44Å; L109-F114 HydrophobicContact CB-CE2 3.72Å; L109-F114 HydrophobicContact CB-CZ 3.66Å; L109-F114 HydrophobicContact CD1-CZ 4Å; L109-F114 HydrophobicContact CG-CZ 4.42Å
110	P	69.3	Low	61.1	Low	57 Å²	57	111.9 Å²	111.9	37%	0.37	55%	0.545	S	S	.	.			trans	-67.4	121.6	177.9	-12.1	26.6	0	0	0	109.1	H112 T113 F114	P110-H112 WeakPolarHBondContact CB-CE1 3.27Å; P110-H112 PolarHBondContact O-N 3.18Å; P110-H112 VanDerWaalsContact O-N 3.11Å; P110-T113 HydrophobicContact CB-CG2 4.09Å; P110-T113 HydrophobicContact CG-CG2 4.19Å; P110-T113 PolarHBondContact O-N 3.49Å; P110-T113 PolarHBondContact O-OG1 2.94Å; P110-F114 WeakPolarHBondContact O-CD2 2.88Å
111	F	65.7	Low	61.5	Low	100 Å²	100	106.4 Å²	106.4	44%	0.439	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-52.3	-41.3	-176.7	-74.2	-53.3	0	0	0	112.3	L109 T113 F114 L127 L131	L109-F111 PolarHBondContact O-N 3.44Å; F111-T113 PolarHBondContact O-N 3.48Å; F111-F114 HydrophobicContact CD1-CD2 4.38Å; F111-F114 HydrophobicContact CD1-CE2 4.01Å; F111-F114 HydrophobicContact CD1-CZ 4.41Å; F111-F114 WeakPolarHBondContact O-CB 3.18Å; F111-F114 WeakPolarHBondContact O-CD2 3.27Å; F111-F114 PolarHBondContact O-N 3.12Å; F111-L127 HydrophobicContact CB-CD2 3.64Å; F111-L127 WeakPolarHBondContact O-CD2 3.01Å; F111-L131 HydrophobicContact CB-CD1 4.28Å; F111-L131 HydrophobicContact CD1-CD2 3.99Å; F111-L131 HydrophobicContact CD2-CD1 4.19Å; F111-L131 HydrophobicContact CE1-CD2 4.29Å; F111-L131 HydrophobicContact CG-CD1 4.19Å; F111-L131 HydrophobicContact CG-CD2 4.22Å
112	H	64.7	Low	61.8	Low	144 Å²	144	109.3 Å²	109.3	67%	0.667	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-59	-14.6	-179.5	68.7	-96.2	0	0	0	115.2	P110 L127	P110-H112 WeakPolarHBondContact CB-CE1 3.27Å; P110-H112 PolarHBondContact O-N 3.18Å; P110-H112 VanDerWaalsContact O-N 3.11Å; H112-L127 VanDerWaalsContact N-CD2 3.34Å
113	T	64.7	Low	61.6	Low	83 Å²	83	102.7 Å²	102.7	51%	0.509	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-89.4	-9.1	176.1	66.7	0	0	0	0	113.2	P110 F111	P110-T113 HydrophobicContact CB-CG2 4.09Å; P110-T113 HydrophobicContact CG-CG2 4.19Å; P110-T113 PolarHBondContact O-N 3.49Å; P110-T113 PolarHBondContact O-OG1 2.94Å; F111-T113 PolarHBondContact O-N 3.48Å
114	F	64.1	Low	61.1	Low	67 Å²	67	106.7 Å²	106.7	29%	0.294	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-73.1	134	180	-71.7	-113.8	0	0	0	109.7	A91 L109 P110 F111	A91-F114 HydrophobicContact CB-CD1 3.75Å; A91-F114 HydrophobicContact CB-CE1 3.4Å; A91-F114 VanDerWaalsContact CB-CE1 3.4Å; L109-F114 HydrophobicContact CB-CE2 3.72Å; L109-F114 HydrophobicContact CB-CZ 3.66Å; L109-F114 HydrophobicContact CD1-CZ 4Å; L109-F114 HydrophobicContact CG-CZ 4.42Å; P110-F114 WeakPolarHBondContact O-CD2 2.88Å; F111-F114 HydrophobicContact CD1-CD2 4.38Å; F111-F114 HydrophobicContact CD1-CE2 4.01Å; F111-F114 HydrophobicContact CD1-CZ 4.41Å; F111-F114 WeakPolarHBondContact O-CB 3.18Å; F111-F114 WeakPolarHBondContact O-CD2 3.27Å; F111-F114 PolarHBondContact O-N 3.12Å
115	K	60.4	Low	60.4	Low	123 Å²	123	101.5 Å²	101.5	54%	0.535	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-100.7	140.7	171.5	-62.2	-176.6	179.4	-176.2	0	108.5	N117 Q122	K115-N117 PolarHBondContact O-N 3.41Å; K115-Q122 HydrophobicContact CD-CG 4.3Å
116	A	54.8	Low	59.6	Low	11 Å²	11	99.8 Å²	99.8	9%	0.091	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.7	169	0	0	0	0	0	107.9	Y123 I125	A116-Y123 PolarHBondContact N-O 3.2Å; A116-Y123 PolarHBondContact O-N 3.47Å; A116-I125 HydrophobicContact CB-CB 4.1Å; A116-I125 HydrophobicContact CB-CD1 3.56Å; A116-I125 HydrophobicContact CB-CG1 3.77Å
117	N	55.7	Low	58.5	Low	28 Å²	28	95.7 Å²	95.7	15%	0.15	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.5	167.4	-70.9	-50.1	0	0	0	107.2	D90 K115 A121 Q122	D90-N117 HydrophobicContact CB-CB 4.5Å; D90-N117 PolarHBondContact O-ND2 3.25Å; K115-N117 PolarHBondContact O-N 3.41Å; N117-A121 WeakPolarHBondContact CA-O 3.33Å; N117-Q122 WeakPolarHBondContact OD1-CG 3.37Å
118	F	49.3	Very low	57.5	Low	88 Å²	88	94.7 Å²	94.7	39%	0.386	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.8	169.1	178.8	-95.6	0	0	0	107.6	A120 A121 Y123	F118-A120 VanDerWaalsContact C-N 3.27Å; F118-A120 PolarHBondContact O-N 3.49Å; F118-A121 PolarHBondContact N-O 3.21Å; F118-A121 WeakPolarHBondContact O-CB 3.14Å; F118-A121 PolarHBondContact O-N 3.21Å; F118-Y123 HydrophobicContact CB-CD2 3.7Å; F118-Y123 HydrophobicContact CB-CE2 3.62Å; F118-Y123 HydrophobicContact CD1-CE2 4.1Å; F118-Y123 HydrophobicContact CG-CE2 4.31Å
119	R	49.5	Very low	56.6	Low	220 Å²	220	90.4 Å²	90.4	83%	0.83	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	44.4	-176.3	-58.7	178.4	175.4	-110.6	1.1	112.7	A121	R119-A121 PolarHBondContact O-N 3.28Å; R119-A121 VanDerWaalsContact O-N 3.08Å
120	A	49.7	Very low	55.7	Low	97 Å²	97	88.7 Å²	88.7	80%	0.802	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	5.6	-175.1	0	0	0	0	0	116.1	F118	F118-A120 VanDerWaalsContact C-N 3.27Å; F118-A120 PolarHBondContact O-N 3.49Å
121	A	46.5	Very low	55.1	Low	42 Å²	42	89 Å²	89	35%	0.347	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.7	167.8	0	0	0	0	0	110.2	N117 F118 R119 Y123	N117-A121 WeakPolarHBondContact CA-O 3.33Å; F118-A121 PolarHBondContact N-O 3.21Å; F118-A121 WeakPolarHBondContact O-CB 3.14Å; F118-A121 PolarHBondContact O-N 3.21Å; R119-A121 PolarHBondContact O-N 3.28Å; R119-A121 VanDerWaalsContact O-N 3.08Å; A121-Y123 HydrophobicContact CB-CD2 4.48Å; A121-Y123 HydrophobicContact CB-CE2 3.76Å; A121-Y123 VanDerWaalsContact O-CD2 3.31Å; A121-Y123 WeakPolarHBondContact O-CD2 2.84Å
122	Q	54.6	Low	54.6	Low	127 Å²	127	89.7 Å²	89.7	59%	0.593	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	125	177.1	-73.7	-178.2	2.5	0	0	110.1	K115 N117	K115-Q122 HydrophobicContact CD-CG 4.3Å; N117-Q122 WeakPolarHBondContact OD1-CG 3.37Å
123	Y	52.8	Low	54.2	Low	119 Å²	119	89.8 Å²	89.8	47%	0.467	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.6	171.6	-66.8	-89.8	0	0	0	110.5	A116 F118 A121 I125	A116-Y123 PolarHBondContact N-O 3.2Å; A116-Y123 PolarHBondContact O-N 3.47Å; F118-Y123 HydrophobicContact CB-CD2 3.7Å; F118-Y123 HydrophobicContact CB-CE2 3.62Å; F118-Y123 HydrophobicContact CD1-CE2 4.1Å; F118-Y123 HydrophobicContact CG-CE2 4.31Å; A121-Y123 HydrophobicContact CB-CD2 4.48Å; A121-Y123 HydrophobicContact CB-CE2 3.76Å; A121-Y123 VanDerWaalsContact O-CD2 3.31Å; A121-Y123 WeakPolarHBondContact O-CD2 2.84Å; Y123-I125 VanDerWaalsContact C-N 3.34Å; Y123-I125 PolarHBondContact O-N 2.76Å; Y123-I125 VanDerWaalsContact O-N 3.12Å
124	S	53.9	Low	53.9	Low	132 Å²	132	87.5 Å²	87.5	92%	0.923	47%	0.466	S	S	*	.			trans	-81	80	169.8	10.3	0	0	0	0	109.3
125	I	53.3	Low	53.4	Low	89 Å²	89	88.2 Å²	88.2	46%	0.456	48%	0.479	S	S	.	.			trans	-84	132	166.5	-58.3	-179.6	0	0	0	107.8	A116 Y123 L127	A116-I125 HydrophobicContact CB-CB 4.1Å; A116-I125 HydrophobicContact CB-CD1 3.56Å; A116-I125 HydrophobicContact CB-CG1 3.77Å; Y123-I125 VanDerWaalsContact C-N 3.34Å; Y123-I125 PolarHBondContact O-N 2.76Å; Y123-I125 VanDerWaalsContact O-N 3.12Å; I125-L127 PolarHBondContact O-N 3.05Å
126	S	52.9	Low	53.3	Low	86 Å²	86	84.6 Å²	84.6	60%	0.601	46%	0.462	S	S	*	.			trans	-65.7	130.8	176.9	56.3	0	0	0	0	110.8	S129	S126-S129 PolarHBondContact O-OG 2.79Å
127	L	50.8	Low	53.8	Low	49 Å²	49	87.3 Å²	87.3	26%	0.257	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	74.8	-170.6	-156.3	93.7	0	0	0	111.6	F111 H112 I125 F130	F111-L127 HydrophobicContact CB-CD2 3.64Å; F111-L127 WeakPolarHBondContact O-CD2 3.01Å; H112-L127 VanDerWaalsContact N-CD2 3.34Å; I125-L127 PolarHBondContact O-N 3.05Å; L127-F130 HydrophobicContact CD1-CB 4.17Å; L127-F130 HydrophobicContact CD1-CD1 4.21Å
128	P	49.4	Very low	54	Low	93 Å²	93	87.2 Å²	87.2	60%	0.604	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn		-125.6	-24.1	124.1	-1.8	21.6	0	0	0	113.4	F130 L131	P128-F130 VanDerWaalsContact C-N 3.32Å; P128-F130 PolarHBondContact O-N 2.97Å; P128-L131 PolarHBondContact O-N 2.93Å
129	S	53.1	Low	54.8	Low	55 Å²	55	85.1 Å²	85.1	39%	0.385	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36	-173.6	58.7	0	0	0	0	112.1	S126 L131 N132	S126-S129 PolarHBondContact O-OG 2.79Å; S129-L131 PolarHBondContact O-N 3.23Å; S129-N132 PolarHBondContact O-N 2.74Å
130	F	54.6	Low	55.3	Low	53 Å²	53	76.5 Å²	76.5	23%	0.232	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-37.4	-178	-177.8	-103	0	0	0	113.1	S89 L127 P128 N132 Q133 V134	S89-F130 WeakPolarHBondContact OG-CE2 3.47Å; S89-F130 WeakPolarHBondContact OG-CZ 3.18Å; L127-F130 HydrophobicContact CD1-CB 4.17Å; L127-F130 HydrophobicContact CD1-CD1 4.21Å; P128-F130 VanDerWaalsContact C-N 3.32Å; P128-F130 PolarHBondContact O-N 2.97Å; F130-N132 VanDerWaalsContact C-N 3.25Å; F130-N132 PolarHBondContact O-N 3.49Å; F130-Q133 CarbonylContact O-C 3.52Å; F130-Q133 WeakPolarHBondContact O-CA 2.96Å; F130-Q133 PolarHBondContact O-N 3.48Å; F130-V134 HydrophobicContact CD1-CG2 3.96Å; F130-V134 HydrophobicContact CE1-CG2 3.54Å; F130-V134 HydrophobicContact CZ-CG2 4.05Å; F130-V134 PolarHBondContact O-N 3.11Å; F130-V134 VanDerWaalsContact O-N 3.12Å
131	L	57.1	Low	55.8	Low	62 Å²	62	75.1 Å²	75.1	33%	0.325	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-64.2	-31.2	-177.3	-68.3	179.8	0	0	0	112.7	F111 P128 S129 Q133 V134	F111-L131 HydrophobicContact CB-CD1 4.28Å; F111-L131 HydrophobicContact CD1-CD2 3.99Å; F111-L131 HydrophobicContact CD2-CD1 4.19Å; F111-L131 HydrophobicContact CE1-CD2 4.29Å; F111-L131 HydrophobicContact CG-CD1 4.19Å; F111-L131 HydrophobicContact CG-CD2 4.22Å; P128-L131 PolarHBondContact O-N 2.93Å; S129-L131 PolarHBondContact O-N 3.23Å; L131-Q133 PolarHBondContact O-N 3.39Å; L131-V134 HydrophobicContact CD2-CG2 4.27Å; L131-V134 PolarHBondContact O-N 3.17Å
132	N	54.7	Low	56	Low	116 Å²	116	78.3 Å²	78.3	62%	0.62	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-70	-14.9	175.2	-70.1	-20.2	0	0	0	113.2	S129 F130	S129-N132 PolarHBondContact O-N 2.74Å; F130-N132 VanDerWaalsContact C-N 3.25Å; F130-N132 PolarHBondContact O-N 3.49Å
133	Q	55.2	Low	55.8	Low	145 Å²	145	75.2 Å²	75.2	68%	0.678	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-111.8	-1.2	-177.6	-60.8	179.9	1.5	0	0	113	F130 L131 S135	F130-Q133 CarbonylContact O-C 3.52Å; F130-Q133 WeakPolarHBondContact O-CA 2.96Å; F130-Q133 PolarHBondContact O-N 3.48Å; L131-Q133 PolarHBondContact O-N 3.39Å; Q133-S135 PolarHBondContact O-N 2.97Å
134	V	58.8	Low	55.5	Low	35 Å²	35	72 Å²	72	21%	0.212	42%	0.421	C	S	.	.			trans	-60.9	125.7	172.8	176.5	0	0	0	0	107.4	F41 F130 L131 R136	F41-V134 WeakPolarHBondContact CE1-O 3.41Å; F41-V134 HydrophobicContact CE2-CG1 4.23Å; F41-V134 VanDerWaalsContact CZ-C 3.45Å; F41-V134 HydrophobicContact CZ-CG1 4.2Å; F41-V134 WeakPolarHBondContact CZ-O 3.43Å; F130-V134 HydrophobicContact CD1-CG2 3.96Å; F130-V134 HydrophobicContact CE1-CG2 3.54Å; F130-V134 HydrophobicContact CZ-CG2 4.05Å; F130-V134 PolarHBondContact O-N 3.11Å; F130-V134 VanDerWaalsContact O-N 3.12Å; L131-V134 HydrophobicContact CD2-CG2 4.27Å; L131-V134 PolarHBondContact O-N 3.17Å; V134-R136 WeakPolarHBondContact CG1-O 3.32Å
135	S	54.8	Low	55.2	Low	82 Å²	82	74.7 Å²	74.7	57%	0.573	42%	0.418	S	S	*	.			trans	-115.6	-10.3	177.5	59.9	0	0	0	0	112.8	F41 Q133	F41-S135 VanDerWaalsContact CD1-O 3.27Å; F41-S135 WeakPolarHBondContact CD1-O 3.27Å; F41-S135 VanDerWaalsContact CD2-C 3.43Å; F41-S135 WeakPolarHBondContact CD2-O 3.29Å; F41-S135 WeakPolarHBondContact CE2-O 3.18Å; F41-S135 WeakPolarHBondContact CG-O 3.12Å; F41-S135 VanDerWaalsContact CZ-C 3.41Å; Q133-S135 PolarHBondContact O-N 2.97Å
136	R	58.2	Low	54.8	Low	47 Å²	47	78 Å²	78	18%	0.177	44%	0.437	C	S	.	.			trans	-157.1	146.8	-175.8	-177.2	178.8	169.9	172.8	7.4	110.1	S35 L79 V134	S35-R136 VanDerWaalsContact CB-CZ 3.43Å; S35-R136 VanDerWaalsContact OG-CD 3.27Å; S35-R136 WeakPolarHBondContact OG-CD 3.18Å; S35-R136 PolarHBondContact OG-NE 3.48Å; S35-R136 PolarHBondContact OG-NH1 3.12Å; S35-R136 PolarHBondContact OG-NH2 3.47Å; L79-R136 PolarHBondContact O-NH2 2.94Å; V134-R136 WeakPolarHBondContact CG1-O 3.32Å
137	I	64	Low	54.4	Low	69 Å²	69	76.2 Å²	76.2	35%	0.354	43%	0.427	S	S	.	.			trans	-114	128.1	163.5	-59.1	172.8	0	0	0	106.4
138	S	61.1	Low	54	Low	25 Å²	25	80.6 Å²	80.6	18%	0.175	46%	0.459	C	S	.	.			trans	-114.2	151.6	175.2	52.5	0	0	0	0	110.2
139	I	65.4	Low	53.7	Low	44 Å²	44	83.8 Å²	83.8	23%	0.226	47%	0.465	C	S	.	.			trans	-124.6	122.3	173.5	-65.8	-176.8	0	0	0	105.7	L93 I159	L93-I139 HydrophobicContact CD1-CG2 3.77Å; I139-I159 HydrophobicContact CD1-CD1 3.19Å
140	Q	61.1	Low	53.5	Low	39 Å²	39	87 Å²	87	18%	0.182	47%	0.472	C	S	.	.			trans	-124.7	128.8	179.2	-167.9	165.3	16.5	0	0	109.2	Y142	Q140-Y142 HydrophobicContact CB-CE2 3.86Å; Q140-Y142 VanDerWaalsContact CD-OH 3.26Å; Q140-Y142 HydrophobicContact CG-CD2 4.25Å; Q140-Y142 HydrophobicContact CG-CE1 4.24Å; Q140-Y142 HydrophobicContact CG-CE2 3.69Å; Q140-Y142 VanDerWaalsContact OE1-CZ 3.32Å; Q140-Y142 PolarHBondContact OE1-OH 3.49Å
141	A	58.8	Low	53	Low	68 Å²	68	92.5 Å²	92.5	56%	0.562	50%	0.499	S	S	*	.			trans	-92.5	130.7	170.7	0	0	0	0	0	108.8	I157	A141-I157 HydrophobicContact CB-CD1 4.48Å
142	Y	52.3	Low	52.5	Low	110 Å²	110	97.8 Å²	97.8	43%	0.431	52%	0.52	S	S	.	.			trans	-116.2	144	172.8	-62.5	-91.1	0	0	0	109.2	V92 Q140	V92-Y142 HydrophobicContact CB-CE2 4.13Å; V92-Y142 HydrophobicContact CG1-CD2 3.68Å; V92-Y142 HydrophobicContact CG1-CE2 3.6Å; V92-Y142 HydrophobicContact CG2-CE2 3.72Å; Q140-Y142 HydrophobicContact CB-CE2 3.86Å; Q140-Y142 VanDerWaalsContact CD-OH 3.26Å; Q140-Y142 HydrophobicContact CG-CD2 4.25Å; Q140-Y142 HydrophobicContact CG-CE1 4.24Å; Q140-Y142 HydrophobicContact CG-CE2 3.69Å; Q140-Y142 VanDerWaalsContact OE1-CZ 3.32Å; Q140-Y142 PolarHBondContact OE1-OH 3.49Å
143	D	48.6	Very low	52.3	Low	62 Å²	62	95.7 Å²	95.7	33%	0.332	53%	0.525	S	S	.	.			trans	-66.4	150.6	155	53.2	6.4	0	0	0	108.5	H145 K150	D143-H145 PolarHBondContact O-N 2.67Å; D143-K150 VanDerWaalsContact OD2-CB 3.23Å; D143-K150 WeakPolarHBondContact OD2-CB 3.19Å; D143-K150 WeakPolarHBondContact OD2-CD 3.41Å; D143-K150 WeakPolarHBondContact OD2-CG 3.33Å
144	G	46.9	Very low	52.2	Low	51 Å²	51	95.2 Å²	95.2	53%	0.526	54%	0.538	S	S	.	.			trans	-54.5	128.1	-171.1	0	0	0	0	0	111.9	N146 A147	G144-N146 PolarHBondContact O-N 2.56Å; G144-A147 PolarHBondContact O-N 3.34Å
145	H	47.7	Very low	52	Low	189 Å²	189	97.1 Å²	97.1	88%	0.875	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-16.5	-174.9	-144.9	-33	0	0	0	114.3	D143	D143-H145 PolarHBondContact O-N 2.67Å
146	N	46.3	Very low	52.2	Low	158 Å²	158	98 Å²	98	85%	0.845	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	16.7	179.8	-66.3	-24.8	0	0	0	113.5	G144	G144-N146 PolarHBondContact O-N 2.56Å
147	A	44	Very low	52.5	Low	49 Å²	49	101.5 Å²	101.5	41%	0.405	59%	0.592	S	S	.	*			trans	-72.7	127.1	176.5	0	0	0	0	0	109.3	G144 Q149	G144-A147 PolarHBondContact O-N 3.34Å; A147-Q149 WeakPolarHBondContact CB-O 3.36Å; A147-Q149 PolarHBondContact O-N 3.12Å
148	P	42.2	Very low	52.6	Low	141 Å²	141	105 Å²	105	92%	0.916	61%	0.607	S	S	*	*	S	Bend	trans	-63.8	-12.4	179.2	23.7	-31.5	0	0	0	113.1
149	Q	44	Very low	53	Low	159 Å²	159	106.5 Å²	106.5	74%	0.743	61%	0.612	S	S	*	*	S	Bend	trans	-138	136	171.3	-104.7	169.9	-11.4	0	0	109.1	A147 E151	A147-Q149 WeakPolarHBondContact CB-O 3.36Å; A147-Q149 PolarHBondContact O-N 3.12Å; Q149-E151 PolarHBondContact O-N 2.8Å; Q149-E151 VanDerWaalsContact O-N 3.14Å
150	K	47.7	Very low	53	Low	122 Å²	122	107.6 Å²	107.6	53%	0.53	61%	0.614	S	S	.	*			trans	-64.9	110.3	165.6	-65.9	-168.7	175.2	-178.6	0	107.9	D143 F152	D143-K150 VanDerWaalsContact OD2-CB 3.23Å; D143-K150 WeakPolarHBondContact OD2-CB 3.19Å; D143-K150 WeakPolarHBondContact OD2-CD 3.41Å; D143-K150 WeakPolarHBondContact OD2-CG 3.33Å; K150-F152 HydrophobicContact CB-CD2 4.49Å; K150-F152 HydrophobicContact CB-CE2 3.82Å; K150-F152 HydrophobicContact CB-CZ 3.91Å; K150-F152 HydrophobicContact CD-CZ 4.21Å; K150-F152 WeakPolarHBondContact O-CD2 3.49Å; K150-F152 PolarHBondContact O-N 2.89Å
151	E	43.8	Very low	53.4	Low	170 Å²	170	111.5 Å²	111.5	79%	0.794	63%	0.63	S	S	*	*			trans	-81.5	106.4	173.3	-72	-174.3	179.3	0	0	108.6	Q149	Q149-E151 PolarHBondContact O-N 2.8Å; Q149-E151 VanDerWaalsContact O-N 3.14Å
152	F	46.4	Very low	54	Low	173 Å²	173	110.7 Å²	110.7	76%	0.759	62%	0.616	S	S	*	*			trans	-83.6	123.9	169.8	-58.4	-82.6	0	0	0	108.5	K150	K150-F152 HydrophobicContact CB-CD2 4.49Å; K150-F152 HydrophobicContact CB-CE2 3.82Å; K150-F152 HydrophobicContact CB-CZ 3.91Å; K150-F152 HydrophobicContact CD-CZ 4.21Å; K150-F152 WeakPolarHBondContact O-CD2 3.49Å; K150-F152 PolarHBondContact O-N 2.89Å
153	G	51.2	Low	54.8	Low	71 Å²	71	107.6 Å²	107.6	73%	0.732	61%	0.609	S	S	*	*			trans	-156.6	148.5	177.9	0	0	0	0	0	111.6	G155	G153-G155 PolarHBondContact O-N 3.14Å
154	S	53.4	Low	55.7	Low	135 Å²	135	105.1 Å²	105.1	94%	0.944	60%	0.597	S	S	*	*			trans	-67.9	112.3	167.9	46.2	0	0	0	0	108.7
155	G	55	Low	56.6	Low	75 Å²	75	106.6 Å²	106.6	77%	0.773	59%	0.592	S	S	*	*			trans	-121.6	139.1	170.9	0	0	0	0	0	109.7	G153	G153-G155 PolarHBondContact O-N 3.14Å
156	S	58.4	Low	57.4	Low	100 Å²	100	102.1 Å²	102.1	70%	0.699	57%	0.57	S	S	*	*			trans	-109.5	146.3	164.4	60.4	0	0	0	0	109.3
157	I	65.3	Low	58.2	Low	122 Å²	122	101.6 Å²	101.6	63%	0.626	57%	0.567	S	S	*	*			trans	-118.3	121.6	169.5	-59.8	175.5	0	0	0	105.9	A141 I159	A141-I157 HydrophobicContact CB-CD1 4.48Å; I157-I159 HydrophobicContact CG2-CD1 4.42Å; I157-I159 HydrophobicContact CG2-CG1 3.94Å
158	E	64.8	Low	58.7	Low	142 Å²	142	107 Å²	107	66%	0.664	58%	0.581	S	S	*	*			trans	-96.2	121.1	170.5	-69.9	-175.4	-174.1	0	0	109.5	Y160	E158-Y160 HydrophobicContact CB-CE2 3.96Å; E158-Y160 PolarHBondContact OE2-OH 3.26Å
159	I	70.6	Confident	59.3	Low	56 Å²	56	106.2 Å²	106.2	29%	0.287	58%	0.576	S	S	.	*			trans	-112.5	122	174	-54.3	176.8	0	0	0	107.2	F66 I139 I157 I162	F66-I159 VanDerWaalsContact CB-O 3.23Å; F66-I159 WeakPolarHBondContact CB-O 3.23Å; F66-I159 HydrophobicContact CD2-CB 4.14Å; F66-I159 HydrophobicContact CD2-CG2 3.86Å; F66-I159 WeakPolarHBondContact CD2-O 3.46Å; F66-I159 HydrophobicContact CE2-CB 4.03Å; F66-I159 HydrophobicContact CE2-CG2 3.57Å; F66-I159 WeakPolarHBondContact CG-O 3.33Å; F66-I159 HydrophobicContact CZ-CG2 4.48Å; I139-I159 HydrophobicContact CD1-CD1 3.19Å; I157-I159 HydrophobicContact CG2-CD1 4.42Å; I157-I159 HydrophobicContact CG2-CG1 3.94Å; I159-I162 HydrophobicContact CG2-CG1 4.14Å
160	Y	65.8	Low	59.7	Low	68 Å²	68	104.8 Å²	104.8	27%	0.267	58%	0.578	S	S	.	*			trans	-88.2	-50.8	-178.2	-75.3	-103	0	0	0	110.9	F66 T67 R104 E158	F66-Y160 PolarHBondContact N-O 3Å; T67-Y160 HydrophobicContact CG2-CD1 4.04Å; R104-Y160 HydrophobicContact CG-CE2 4.19Å; R104-Y160 VanDerWaalsContact CZ-CE1 3.42Å; R104-Y160 PolarHBondContact NE-OH 2.99Å; R104-Y160 VanDerWaalsContact NH2-CZ 3.31Å; R104-Y160 PolarHBondContact NH2-OH 2.97Å; E158-Y160 HydrophobicContact CB-CE2 3.96Å; E158-Y160 PolarHBondContact OE2-OH 3.26Å
161	F	67.6	Low	59.3	Low	120 Å²	120	101.8 Å²	101.8	53%	0.526	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.4	152.8	179.4	52.8	-92.7	0	0	0	111.6	V62 F64	V62-F161 HydrophobicContact CG1-CB 4.02Å; F64-F161 WeakPolarHBondContact O-CA 3.17Å
162	I	71.7	Confident	58.8	Low	51 Å²	51	104.5 Å²	104.5	26%	0.262	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.3	131.4	167.1	-60.3	173.2	0	0	0	107	L63 F64 F66 I159	L63-I162 WeakPolarHBondContact CB-O 3.31Å; L63-I162 HydrophobicContact CD1-CG2 4.4Å; L63-I162 PolarHBondContact N-O 3.05Å; F64-I162 PolarHBondContact N-O 2.94Å; F64-I162 PolarHBondContact O-N 3.44Å; F64-I162 VanDerWaalsContact O-N 3.07Å; F66-I162 HydrophobicContact CE2-CD1 4.27Å; F66-I162 HydrophobicContact CE2-CG1 4.34Å; I159-I162 HydrophobicContact CG2-CG1 4.14Å
163	T	69.1	Low	58.4	Low	45 Å²	45	110.7 Å²	110.7	28%	0.276	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.1	137.1	-177.4	-50.7	0	0	0	0	109.8	L165	T163-L165 HydrophobicContact CG2-CD2 4.18Å
164	A	67.5	Low	58.8	Low	10 Å²	10	112.7 Å²	112.7	8%	0.083	60%	0.601	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.8	133.7	167.1	0	0	0	0	0	109.8	G60 L63	G60-A164 WeakPolarHBondContact CA-O 3.45Å; G60-A164 PolarHBondContact N-O 2.88Å; G60-A164 VanDerWaalsContact N-O 3.17Å; L63-A164 HydrophobicContact CD1-CB 4.03Å; L63-A164 HydrophobicContact CD2-CB 4.33Å; L63-A164 HydrophobicContact CG-CB 4.34Å
165	L	65.4	Low	59	Low	82 Å²	82	111.5 Å²	111.5	43%	0.429	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.2	133.8	176.7	-62.6	174.4	0	0	0	109.4	T59 T163	T59-L165 HydrophobicContact CG2-CD2 4.09Å; T163-L165 HydrophobicContact CG2-CD2 4.18Å
166	K	64.9	Low	59.3	Low	96 Å²	96	113.5 Å²	113.5	42%	0.417	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-96.3	116.6	169.4	-173.3	174.7	-179	175.6	0	107.4	F51 I52 Q54 K168	F51-K166 HydrophobicContact CE1-CB 3.95Å; F51-K166 HydrophobicContact CZ-CB 3.86Å; I52-K166 PolarHBondContact O-NZ 3.21Å; Q54-K166 PolarHBondContact O-NZ 3.14Å; K166-K168 PolarHBondContact O-N 3.08Å
167	L	62.7	Low	59.3	Low	147 Å²	147	114.3 Å²	114.3	77%	0.77	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-70.6	128.5	172.7	-63.8	176.2	0	0	0	108.1
168	K	56.4	Low	59	Low	162 Å²	162	113.8 Å²	113.8	70%	0.704	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-61.8	137.4	166.6	-76	-173.1	175.6	-174.8	0	107.8	K166 T170	K166-K168 PolarHBondContact O-N 3.08Å; K168-T170 PolarHBondContact O-N 3.29Å
169	P	53.6	Low	58.6	Low	125 Å²	125	111.9 Å²	111.9	81%	0.812	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-55.7	117.7	170.2	-17.6	28.6	0	0	0	108.3	G171	P169-G171 PolarHBondContact O-N 2.94Å
170	T	51.8	Low	57.7	Low	128 Å²	128	115.9 Å²	115.9	79%	0.785	57%	0.573	S	S	*	*			trans	-73.3	91.8	164.7	47.8	0	0	0	0	105.8	K168 Y172	K168-T170 PolarHBondContact O-N 3.29Å; T170-Y172 PolarHBondContact O-N 3.02Å
171	G	39.3	Very low	57.1	Low	60 Å²	60	119.6 Å²	119.6	62%	0.619	60%	0.597	S	S	*	*			trans	-65.4	103.4	175.6	0	0	0	0	0	109.9	P169	P169-G171 PolarHBondContact O-N 2.94Å
172	Y	34.3	Very low	56.2	Low	226 Å²	226	119.6 Å²	119.6	89%	0.886	60%	0.603	S	S	*	*			trans	-99.7	104.9	141.8	-72.8	-79	0	0	0	105.2	T170	T170-Y172 PolarHBondContact O-N 3.02Å
173	Y	38.1	Very low	54.8	Low	303 Å²	303	125.8 Å²	125.8	100%	1.188	63%	0.634	S	S	*	*			trans	-80.3	0	154.5	-76.3	-80.3	0	0	0	108

Retrieved 173 of 173 residues in 470.8 ms (Link to these results)

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