A0A061IJ77_CRIGR Loading...

Sorcin

AlphaFold DB , UniProt , Accession A0A061IJ77, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Sri, Length 198 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	38.6	Very low	36.6	Very low	202 Å²	202	100.5 Å²	100.5	100%	0.995	71%	0.713	S	S	*	*				0	112.2	0	-88.5	169.6	166.2	0	0	106.7
2	A	34.7	Very low	35.9	Very low	89 Å²	89	97.9 Å²	97.9	74%	0.736	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-75.9	132.2	-175.8	0	0	0	0	0	111.1
3	Y	36.5	Very low	35.2	Very low	68 Å²	68	108.5 Å²	108.5	27%	0.267	73%	0.729	S	S	.	*	P	Polyproline II helix	trans	-62.3	141.6	168.5	-69.2	-87.3	0	0	0	110	G5 F173 R174 D177 Q180 G182	Y3-G5 PolarHBondContact O-N 2.89Å; Y3-F173 WeakPolarHBondContact OH-CD1 3.34Å; Y3-F173 WeakPolarHBondContact OH-CE1 3.36Å; Y3-R174 HydrophobicContact CE1-CG 4.49Å; Y3-D177 VanDerWaalsContact CE2-OD2 3.25Å; Y3-D177 WeakPolarHBondContact CE2-OD2 3.36Å; Y3-D177 PolarHBondContact OH-OD2 3.46Å; Y3-D177 VanDerWaalsContact OH-OD2 3.08Å; Y3-Q180 HydrophobicContact CD2-CB 4.25Å; Y3-Q180 HydrophobicContact CE2-CB 4.44Å; Y3-G182 WeakPolarHBondContact OH-CA 3.42Å
4	P	45.9	Very low	34.8	Very low	51 Å²	51	116.5 Å²	116.5	33%	0.331	74%	0.739	S	S	.	*	P	Polyproline II helix	trans	-62.7	124.7	172.4	23.3	-27.9	0	0	0	110.1	R135	P4-R135 HydrophobicContact CG-CG 4.22Å
5	G	37.1	Very low	34.9	Very low	69 Å²	69	117.3 Å²	117.3	71%	0.711	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-65.6	142.6	169	0	0	0	0	0	110.7	Y3	Y3-G5 PolarHBondContact O-N 2.89Å
6	H	42	Very low	34.7	Very low	179 Å²	179	113.9 Å²	113.9	83%	0.829	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-57.5	140.9	161.4	-129.7	-66.9	0	0	0	108.6	G8	H6-G8 PolarHBondContact O-N 3.24Å; H6-G8 VanDerWaalsContact O-N 3.09Å
7	P	37.1	Very low	35	Very low	115 Å²	115	111.6 Å²	111.6	75%	0.747	74%	0.741	S	S	*	*			trans	-61.2	115.6	157.6	23.6	-28	0	0	0	107.3	A9	P7-A9 PolarHBondContact O-N 3.11Å
8	G	30.4	Very low	35.1	Very low	77 Å²	77	117.7 Å²	117.7	79%	0.794	75%	0.748	S	S	*	*			trans	-62	115.3	176.6	0	0	0	0	0	109.7	H6 G10	H6-G8 PolarHBondContact O-N 3.24Å; H6-G8 VanDerWaalsContact O-N 3.09Å; G8-G10 PolarHBondContact O-N 3.18Å
9	A	34.8	Very low	35.4	Very low	100 Å²	100	115.8 Å²	115.8	83%	0.826	75%	0.754	S	S	*	*			trans	-69.2	110	157.5	0	0	0	0	0	106.5	P7 G11	P7-A9 PolarHBondContact O-N 3.11Å; A9-G11 PolarHBondContact O-N 2.84Å
10	G	35.2	Very low	35.3	Very low	87 Å²	87	114.1 Å²	114.1	90%	0.897	76%	0.757	S	S	*	*			trans	-59.6	118	169	0	0	0	0	0	109.2	G8	G8-G10 PolarHBondContact O-N 3.18Å
11	G	29.9	Very low	35.3	Very low	69 Å²	69	112.9 Å²	112.9	71%	0.711	76%	0.757	S	S	*	*			trans	-149.8	123.7	176.4	0	0	0	0	0	108.9	A9	A9-G11 PolarHBondContact O-N 2.84Å
12	G	29.1	Very low	35.5	Very low	69 Å²	69	109.6 Å²	109.6	71%	0.711	75%	0.75	S	S	*	*			trans	-57.3	151.8	-166.5	0	0	0	0	0	115.9	Y14	G12-Y14 PolarHBondContact O-N 3.44Å
13	Y	25.9	Very low	36.2	Very low	235 Å²	235	109.4 Å²	109.4	92%	0.922	76%	0.757	S	S	*	*			trans	-50.5	121.5	168.9	-89.3	-117.9	0	0	0	111.8
14	Y	30.6	Very low	36.1	Very low	221 Å²	221	109.1 Å²	109.1	87%	0.867	78%	0.775	S	S	*	*			trans	-123.8	126.5	152.7	-83.8	-83.6	0	0	0	108.4	G12	G12-Y14 PolarHBondContact O-N 3.44Å
15	P	35.5	Very low	36	Very low	129 Å²	129	112.4 Å²	112.4	84%	0.838	80%	0.796	S	S	*	*			trans	-86.8	123.2	178.2	33.5	-27.8	0	0	0	108.8
16	G	32.8	Very low	36.6	Very low	63 Å²	63	113.4 Å²	113.4	65%	0.649	79%	0.792	S	S	*	*			trans	-163.8	73.6	177.6	0	0	0	0	0	110.6	Y18	G16-Y18 PolarHBondContact O-N 2.9Å
17	G	39.8	Very low	36.9	Very low	75 Å²	75	112.4 Å²	112.4	77%	0.773	79%	0.786	S	S	*	*			trans	-67.8	121	168.7	0	0	0	0	0	109.5
18	Y	36.7	Very low	37.5	Very low	220 Å²	220	112.3 Å²	112.3	86%	0.863	79%	0.785	S	S	*	*			trans	-140.4	105.7	162.8	-83.8	-80.8	0	0	0	108.6	G16 G20	G16-Y18 PolarHBondContact O-N 2.9Å; Y18-G20 PolarHBondContact O-N 3.45Å
19	G	39.4	Very low	38.7	Very low	83 Å²	83	111.3 Å²	111.3	86%	0.856	78%	0.775	S	S	*	*			trans	-64.5	123.5	157.3	0	0	0	0	0	108.2
20	G	35	Very low	39.9	Very low	80 Å²	80	108 Å²	108	83%	0.825	74%	0.742	S	S	*	*			trans	-103.6	114.4	175.6	0	0	0	0	0	109.9	Y18	Y18-G20 PolarHBondContact O-N 3.45Å
21	A	35.2	Very low	41	Very low	90 Å²	90	107.9 Å²	107.9	74%	0.744	72%	0.724	S	S	*	*			trans	-75.6	160.5	162.3	0	0	0	0	0	110.2
22	P	42.2	Very low	42.7	Very low	133 Å²	133	112.8 Å²	112.8	86%	0.864	73%	0.729	S	S	*	*	S	Bend	trans	-76.9	131	-174.5	-3.9	21.5	0	0	0	111.2
23	G	49.7	Very low	45	Very low	84 Å²	84	111.7 Å²	111.7	87%	0.866	71%	0.707	S	S	*	*			trans	112.6	20.3	165	0	0	0	0	0	118.9
24	G	33.8	Very low	47.4	Very low	63 Å²	63	105.7 Å²	105.7	65%	0.649	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-88.2	149.7	177.6	0	0	0	0	0	114.8
25	P	44.7	Very low	49.8	Very low	120 Å²	120	96.6 Å²	96.6	78%	0.779	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-67.2	146.5	-172.6	27.1	-32.2	0	0	0	113.1	F27	P25-F27 PolarHBondContact O-N 3.25Å
26	S	50.1	Low	52	Low	90 Å²	90	93 Å²	93	63%	0.629	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-51	129.2	179.8	-29	0	0	0	0	111.7
27	F	47.8	Very low	54.4	Low	158 Å²	158	92.5 Å²	92.5	69%	0.693	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-71	134	178.8	-71.1	-92.5	0	0	0	110.3	P25 G29 Q30	P25-F27 PolarHBondContact O-N 3.25Å; F27-G29 PolarHBondContact O-N 2.79Å; F27-Q30 PolarHBondContact O-N 2.88Å
28	P	49.2	Very low	56.4	Low	112 Å²	112	94.2 Å²	94.2	73%	0.727	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-4.2	-174.3	21.9	-31	0	0	0	115.3	T31	P28-T31 PolarHBondContact O-OG1 2.86Å
29	G	56.3	Low	58.7	Low	56 Å²	56	84.1 Å²	84.1	58%	0.577	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-12.9	172	0	0	0	0	0	114.9	F27	F27-G29 PolarHBondContact O-N 2.79Å
30	Q	58.4	Low	60.8	Low	30 Å²	30	82.6 Å²	82.6	14%	0.14	55%	0.551	C	S	.	*	G	3₁₀ helix	trans	-75.2	-29.2	-179.2	-73.2	177.8	-36.4	0	0	112.7	F27 Q32 D33 Y36 F92 N93	F27-Q30 PolarHBondContact O-N 2.88Å; Q30-Q32 PolarHBondContact O-N 2.95Å; Q30-D33 WeakPolarHBondContact O-CB 3.47Å; Q30-D33 PolarHBondContact O-N 3.45Å; Q30-Y36 HydrophobicContact CB-CD2 4.24Å; Q30-Y36 HydrophobicContact CB-CE2 4.31Å; Q30-Y36 VanDerWaalsContact O-CB 3.3Å; Q30-Y36 WeakPolarHBondContact O-CB 3.43Å; Q30-F92 HydrophobicContact CB-CD1 3.79Å; Q30-F92 HydrophobicContact CB-CE1 3.81Å; Q30-F92 HydrophobicContact CG-CD1 3.76Å; Q30-F92 HydrophobicContact CG-CE1 4.01Å; Q30-N93 PolarHBondContact NE2-ND2 3.37Å; Q30-N93 PolarHBondContact NE2-OD1 3.03Å
31	T	60	Low	63.1	Low	86 Å²	86	82.3 Å²	82.3	53%	0.528	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-70.2	-12.7	-177.8	49.4	0	0	0	0	114.5	P28 Y36	P28-T31 PolarHBondContact O-OG1 2.86Å; T31-Y36 HydrophobicContact CG2-CD1 4.16Å; T31-Y36 HydrophobicContact CG2-CE1 3.7Å
32	Q	65.2	Low	65.3	Low	172 Å²	172	78.7 Å²	78.7	80%	0.804	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-89.4	-8.8	177.3	-66.6	-176.9	-1.5	0	0	113.2	Q30	Q30-Q32 PolarHBondContact O-N 2.95Å
33	D	75.9	Confident	67.4	Low	46 Å²	46	73.4 Å²	73.4	25%	0.246	48%	0.477	C	S	.	.	S	Bend	trans	-78	129.6	179.6	-167.9	-51.5	0	0	0	109.9	Q30 L35 Y36 F92 K96	Q30-D33 WeakPolarHBondContact O-CB 3.47Å; Q30-D33 PolarHBondContact O-N 3.45Å; D33-L35 PolarHBondContact O-N 3.29Å; D33-L35 VanDerWaalsContact O-N 3.08Å; D33-L35 VanDerWaalsContact OD1-CB 3.26Å; D33-L35 WeakPolarHBondContact OD1-CB 3.26Å; D33-L35 PolarHBondContact OD1-N 3.43Å; D33-Y36 WeakPolarHBondContact O-CB 3.46Å; D33-Y36 PolarHBondContact O-N 3.19Å; D33-F92 HydrophobicContact CB-CE1 4.25Å; D33-F92 HydrophobicContact CB-CZ 3.83Å; D33-K96 WeakPolarHBondContact OD2-CD 3.32Å
34	P	78	Confident	68.8	Low	109 Å²	109	70.6 Å²	70.6	71%	0.708	45%	0.448	S	S	*	.	H	α-helix	trans	-59.7	-21.9	179.3	25	-35	0	0	0	113.2	Y36	P34-Y36 VanDerWaalsContact C-N 3.34Å
35	L	80.1	Confident	71	Confident	29 Å²	29	77.9 Å²	77.9	15%	0.152	47%	0.465	C	S	.	.	H	α-helix	trans	-77.1	-21	174.7	-60.3	177.7	0	0	0	113	D33 G37 Y38 F39 F92 F95 K96 W99	D33-L35 PolarHBondContact O-N 3.29Å; D33-L35 VanDerWaalsContact O-N 3.08Å; D33-L35 VanDerWaalsContact OD1-CB 3.26Å; D33-L35 WeakPolarHBondContact OD1-CB 3.26Å; D33-L35 PolarHBondContact OD1-N 3.43Å; L35-G37 VanDerWaalsContact C-N 3.26Å; L35-G37 PolarHBondContact O-N 3.2Å; L35-Y38 HydrophobicContact CD2-CD2 4.5Å; L35-Y38 PolarHBondContact O-N 2.88Å; L35-F39 PolarHBondContact O-N 3.39Å; L35-F92 HydrophobicContact CB-CE2 4.3Å; L35-F95 HydrophobicContact CB-CE1 4.32Å; L35-K96 HydrophobicContact CD1-CG 4.23Å; L35-W99 HydrophobicContact CD1-CB 4.08Å; L35-W99 VanDerWaalsContact CD1-CD1 3.49Å; L35-W99 HydrophobicContact CD1-CG 3.77Å; L35-W99 HydrophobicContact CD2-CD2 3.9Å; L35-W99 HydrophobicContact CD2-CG 3.95Å; L35-W99 HydrophobicContact CD2-CZ2 4.31Å
36	Y	82.8	Confident	72.8	Confident	55 Å²	55	77.5 Å²	77.5	22%	0.216	46%	0.456	C	S	.	.	H	α-helix	trans	-64.6	-33.2	179.3	-168.4	-97.5	0	0	0	111.9	Q30 T31 D33 P34 Y38 F39 A40 F92	Q30-Y36 HydrophobicContact CB-CD2 4.24Å; Q30-Y36 HydrophobicContact CB-CE2 4.31Å; Q30-Y36 VanDerWaalsContact O-CB 3.3Å; Q30-Y36 WeakPolarHBondContact O-CB 3.43Å; T31-Y36 HydrophobicContact CG2-CD1 4.16Å; T31-Y36 HydrophobicContact CG2-CE1 3.7Å; D33-Y36 WeakPolarHBondContact O-CB 3.46Å; D33-Y36 PolarHBondContact O-N 3.19Å; P34-Y36 VanDerWaalsContact C-N 3.34Å; Y36-Y38 VanDerWaalsContact C-N 3.35Å; Y36-Y38 PolarHBondContact O-N 3.31Å; Y36-F39 HydrophobicContact CD2-CD1 4.45Å; Y36-F39 HydrophobicContact CE2-CD1 4.3Å; Y36-F39 PolarHBondContact O-N 3.37Å; Y36-A40 HydrophobicContact CD1-CB 4.26Å; Y36-A40 HydrophobicContact CE1-CB 4Å; Y36-A40 WeakPolarHBondContact O-CB 3.31Å; Y36-A40 PolarHBondContact O-N 3.35Å; Y36-F92 VanDerWaalsContact CA-CE2 3.46Å; Y36-F92 AromaticContact CD2-CD1 3.85Å; Y36-F92 HydrophobicContact CD2-CD1 3.85Å; Y36-F92 AromaticContact CD2-CD2 3.85Å; Y36-F92 HydrophobicContact CD2-CD2 3.85Å; Y36-F92 AromaticContact CD2-CE1 3.8Å; Y36-F92 HydrophobicContact CD2-CE1 3.8Å; Y36-F92 AromaticContact CD2-CE2 3.83Å; Y36-F92 HydrophobicContact CD2-CE2 3.83Å; Y36-F92 AromaticContact CD2-CG 3.87Å; Y36-F92 HydrophobicContact CD2-CG 3.87Å; Y36-F92 AromaticContact CD2-CZ 3.8Å; Y36-F92 HydrophobicContact CD2-CZ 3.8Å; Y36-F92 HydrophobicContact CE2-CD1 4.4Å; Y36-F92 HydrophobicContact CE2-CG 4.31Å; Y36-F92 HydrophobicContact CG-CE2 4.35Å; Y36-F92 HydrophobicContact CG-CZ 4.26Å
37	G	82.5	Confident	74.5	Confident	51 Å²	51	75.1 Å²	75.1	53%	0.526	45%	0.446	S	S	.	.	H	α-helix	trans	-62	-41.2	175.1	0	0	0	0	0	112.8	L35 A41	L35-G37 VanDerWaalsContact C-N 3.26Å; L35-G37 PolarHBondContact O-N 3.2Å; G37-A41 WeakPolarHBondContact O-CB 3.45Å; G37-A41 PolarHBondContact O-N 3.18Å
38	Y	81.4	Confident	76.3	Confident	111 Å²	111	70.5 Å²	70.5	44%	0.435	43%	0.426	S	S	.	.	H	α-helix	trans	-70	-43.9	175.5	-63.7	-75.1	0	0	0	111.4	L35 Y36 A41	L35-Y38 HydrophobicContact CD2-CD2 4.5Å; L35-Y38 PolarHBondContact O-N 2.88Å; Y36-Y38 VanDerWaalsContact C-N 3.35Å; Y36-Y38 PolarHBondContact O-N 3.31Å; Y38-A41 PolarHBondContact O-N 3.36Å
39	F	84.7	Confident	78.2	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.035	39%	0.392	C	S	.	.	H	α-helix	trans	-58.7	-54	176.7	177.1	-91.1	0	0	0	111.6	L35 Y36 A41 V42 A43 G47 I49 F92 F95	L35-F39 PolarHBondContact O-N 3.39Å; Y36-F39 HydrophobicContact CD2-CD1 4.45Å; Y36-F39 HydrophobicContact CE2-CD1 4.3Å; Y36-F39 PolarHBondContact O-N 3.37Å; F39-A41 PolarHBondContact O-N 2.75Å; F39-V42 WeakPolarHBondContact O-CG2 3.49Å; F39-V42 PolarHBondContact O-N 3.03Å; F39-A43 HydrophobicContact CD1-CB 4.08Å; F39-A43 HydrophobicContact CE1-CB 3.7Å; F39-A43 HydrophobicContact CZ-CB 3.93Å; F39-A43 VanDerWaalsContact O-CB 3.28Å; F39-A43 WeakPolarHBondContact O-CB 3.41Å; F39-A43 PolarHBondContact O-N 3.02Å; F39-G47 WeakPolarHBondContact CZ-O 3.36Å; F39-I49 HydrophobicContact CB-CD1 4.49Å; F39-I49 HydrophobicContact CD2-CD1 3.13Å; F39-I49 HydrophobicContact CD2-CG1 3.92Å; F39-I49 HydrophobicContact CE2-CB 4.46Å; F39-I49 HydrophobicContact CE2-CD1 3.35Å; F39-I49 HydrophobicContact CE2-CG1 3.6Å; F39-I49 HydrophobicContact CG-CD1 3.97Å; F39-I49 HydrophobicContact CZ-CD1 4.33Å; F39-I49 HydrophobicContact CZ-CG1 4.23Å; F39-F92 HydrophobicContact CB-CD2 3.63Å; F39-F92 HydrophobicContact CB-CE2 3.95Å; F39-F92 HydrophobicContact CD1-CB 4.07Å; F39-F92 AromaticContact CD1-CD2 3.85Å; F39-F92 HydrophobicContact CD1-CD2 3.85Å; F39-F92 HydrophobicContact CD1-CG 4.3Å; F39-F92 HydrophobicContact CD2-CB 4.19Å; F39-F92 AromaticContact CD2-CD2 3.8Å; F39-F92 HydrophobicContact CD2-CD2 3.8Å; F39-F92 HydrophobicContact CE1-CB 3.89Å; F39-F92 VanDerWaalsContact CE2-CA 3.49Å; F39-F92 HydrophobicContact CE2-CB 4.04Å; F39-F92 HydrophobicContact CE2-CD2 4.49Å; F39-F92 HydrophobicContact CG-CB 4.25Å; F39-F92 AromaticContact CG-CD2 3.48Å; F39-F92 HydrophobicContact CG-CD2 3.48Å; F39-F92 VanDerWaalsContact CG-CD2 3.48Å; F39-F92 HydrophobicContact CG-CE2 4.29Å; F39-F92 HydrophobicContact CG-CG 4.29Å; F39-F92 HydrophobicContact CZ-CB 3.89Å; F39-F95 HydrophobicContact CB-CD1 4.07Å; F39-F95 HydrophobicContact CB-CE1 4.23Å; F39-F95 HydrophobicContact CD2-CB 3.79Å; F39-F95 HydrophobicContact CD2-CD1 4.03Å; F39-F95 HydrophobicContact CD2-CD2 4.5Å; F39-F95 AromaticContact CD2-CG 3.85Å; F39-F95 HydrophobicContact CD2-CG 3.85Å; F39-F95 HydrophobicContact CE2-CB 4.18Å
40	A	84.4	Confident	79.8	Confident	51 Å²	51	65.3 Å²	65.3	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-22.1	-177.1	0	0	0	0	0	113.3	Y36 V42	Y36-A40 HydrophobicContact CD1-CB 4.26Å; Y36-A40 HydrophobicContact CE1-CB 4Å; Y36-A40 WeakPolarHBondContact O-CB 3.31Å; Y36-A40 PolarHBondContact O-N 3.35Å; A40-V42 VanDerWaalsContact C-N 3.3Å
41	A	82.1	Confident	81.3	Confident	74 Å²	74	64.4 Å²	64.4	61%	0.612	38%	0.377	S	S	*	.	H	α-helix	trans	-74.4	-22	175.1	0	0	0	0	0	113.1	G37 Y38 F39	G37-A41 WeakPolarHBondContact O-CB 3.45Å; G37-A41 PolarHBondContact O-N 3.18Å; Y38-A41 PolarHBondContact O-N 3.36Å; F39-A41 PolarHBondContact O-N 2.75Å
42	V	83.1	Confident	82.7	Confident	15 Å²	15	63.6 Å²	63.6	9%	0.091	37%	0.369	C	S	.	.	H	α-helix	trans	-115.4	-20	-178.7	-61.1	0	0	0	0	114.1	F39 A40 I49 E53 C57	F39-V42 WeakPolarHBondContact O-CG2 3.49Å; F39-V42 PolarHBondContact O-N 3.03Å; A40-V42 VanDerWaalsContact C-N 3.3Å; V42-I49 HydrophobicContact CG2-CD1 3.43Å; V42-I49 VanDerWaalsContact CG2-CD1 3.43Å; V42-I49 HydrophobicContact CG2-CG1 3.95Å; V42-E53 HydrophobicContact CB-CB 4.36Å; V42-E53 WeakPolarHBondContact O-CB 3.37Å; V42-E53 VanDerWaalsContact O-CG 3.26Å; V42-E53 WeakPolarHBondContact O-CG 3.2Å; V42-C57 HydrophobicContact CB-CB 4.2Å; V42-C57 HydrophobicContact CG1-CB 3.76Å; V42-C57 HydrophobicContact CG2-CB 3.64Å
43	A	84.8	Confident	83.9	Confident	22 Å²	22	57.2 Å²	57.2	18%	0.182	34%	0.34	C	S	.	.			trans	-66.5	140.3	-178.9	0	0	0	0	0	111.1	F39 Q48 I49	F39-A43 HydrophobicContact CD1-CB 4.08Å; F39-A43 HydrophobicContact CE1-CB 3.7Å; F39-A43 HydrophobicContact CZ-CB 3.93Å; F39-A43 VanDerWaalsContact O-CB 3.28Å; F39-A43 WeakPolarHBondContact O-CB 3.41Å; F39-A43 PolarHBondContact O-N 3.02Å; A43-Q48 CarbonylContact C-O 3.54Å; A43-Q48 VanDerWaalsContact CA-O 3.28Å; A43-Q48 WeakPolarHBondContact CA-O 3.38Å; A43-I49 HydrophobicContact CB-CG1 3.95Å
44	G	80.3	Confident	84.5	Confident	24 Å²	24	55 Å²	55	25%	0.247	33%	0.328	C	S	.	.			trans	-65.2	176.9	175.6	0	0	0	0	0	113.1	D46 G47 Q48 E53	G44-D46 WeakPolarHBondContact CA-OD1 3.4Å; G44-D46 PolarHBondContact O-N 3.17Å; G44-D46 VanDerWaalsContact O-N 3.16Å; G44-G47 PolarHBondContact O-N 3.07Å; G44-Q48 PolarHBondContact N-O 2.93Å; G44-E53 PolarHBondContact N-OE1 3.24Å
45	Q	79.9	Confident	85.1	Confident	217 Å²	217	52.5 Å²	52.5	100%	1.014	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.7	175.3	-67.5	-174.2	-3.4	0	0	113.1	G47	Q45-G47 VanDerWaalsContact C-N 3.27Å
46	D	82.4	Confident	85.3	Confident	112 Å²	112	58.3 Å²	58.3	60%	0.599	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.2	174.1	59.7	-3	0	0	0	113.3	G44 Q48	G44-D46 WeakPolarHBondContact CA-OD1 3.4Å; G44-D46 PolarHBondContact O-N 3.17Å; G44-D46 VanDerWaalsContact O-N 3.16Å; D46-Q48 VanDerWaalsContact C-N 3.28Å; D46-Q48 PolarHBondContact OD1-N 2.88Å
47	G	84.3	Confident	85.4	Confident	40 Å²	40	55.8 Å²	55.8	41%	0.412	32%	0.317	S	S	.	.	S	Bend	trans	72	22.7	-177.9	0	0	0	0	0	113.3	F39 G44 Q45	F39-G47 WeakPolarHBondContact CZ-O 3.36Å; G44-G47 PolarHBondContact O-N 3.07Å; Q45-G47 VanDerWaalsContact C-N 3.27Å
48	Q	87.5	Confident	85.5	Confident	60 Å²	60	53.4 Å²	53.4	28%	0.28	29%	0.292	S	S	.	.			trans	-118.4	164.3	176.8	-59.4	-71.5	2.7	0	0	110.5	A43 G44 D46 T89 M90	A43-Q48 CarbonylContact C-O 3.54Å; A43-Q48 VanDerWaalsContact CA-O 3.28Å; A43-Q48 WeakPolarHBondContact CA-O 3.38Å; G44-Q48 PolarHBondContact N-O 2.93Å; D46-Q48 VanDerWaalsContact C-N 3.28Å; D46-Q48 PolarHBondContact OD1-N 2.88Å; Q48-T89 HydrophobicContact CB-CG2 4.46Å; Q48-M90 PolarHBondContact OE1-O 2.87Å
49	I	88.6	Confident	85.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-118.8	123.1	176	-70.3	178.9	0	0	0	109.6	F39 V42 A43 E53 L54 T89 M90 F95	F39-I49 HydrophobicContact CB-CD1 4.49Å; F39-I49 HydrophobicContact CD2-CD1 3.13Å; F39-I49 HydrophobicContact CD2-CG1 3.92Å; F39-I49 HydrophobicContact CE2-CB 4.46Å; F39-I49 HydrophobicContact CE2-CD1 3.35Å; F39-I49 HydrophobicContact CE2-CG1 3.6Å; F39-I49 HydrophobicContact CG-CD1 3.97Å; F39-I49 HydrophobicContact CZ-CD1 4.33Å; F39-I49 HydrophobicContact CZ-CG1 4.23Å; V42-I49 HydrophobicContact CG2-CD1 3.43Å; V42-I49 VanDerWaalsContact CG2-CD1 3.43Å; V42-I49 HydrophobicContact CG2-CG1 3.95Å; A43-I49 HydrophobicContact CB-CG1 3.95Å; I49-E53 VanDerWaalsContact CA-OE2 3.32Å; I49-E53 WeakPolarHBondContact CA-OE2 3.32Å; I49-E53 HydrophobicContact CG2-CB 3.86Å; I49-L54 HydrophobicContact CG2-CB 3.73Å; I49-T89 CarbonylContact O-C 3.59Å; I49-T89 WeakPolarHBondContact O-CA 3.45Å; I49-M90 HydrophobicContact CB-CB 4.45Å; I49-M90 PolarHBondContact N-O 3.12Å; I49-M90 PolarHBondContact O-N 2.85Å; I49-F95 HydrophobicContact CD1-CD2 4.12Å
50	D	89.7	Confident	85.5	Confident	60 Å²	60	57.5 Å²	57.5	32%	0.321	32%	0.32	S	S	.	.			trans	-84.9	177.5	167.7	75.1	26.4	0	0	0	112.7	D52 E53 L54	D50-D52 VanDerWaalsContact C-N 3.3Å; D50-D52 PolarHBondContact O-N 3.34Å; D50-D52 WeakPolarHBondContact OD1-CA 3.48Å; D50-D52 WeakPolarHBondContact OD1-CB 3.25Å; D50-D52 PolarHBondContact OD1-N 3.27Å; D50-E53 PolarHBondContact N-OE2 2.69Å; D50-E53 PolarHBondContact O-N 3.34Å; D50-E53 WeakPolarHBondContact OD1-CB 3.44Å; D50-E53 WeakPolarHBondContact OD1-CG 3.32Å; D50-E53 PolarHBondContact OD1-N 2.95Å; D50-L54 VanDerWaalsContact O-CB 3.29Å; D50-L54 WeakPolarHBondContact O-CB 3.48Å; D50-L54 PolarHBondContact O-N 3.25Å
51	A	89.1	Confident	85.2	Confident	11 Å²	11	56.3 Å²	56.3	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-31.9	-178.6	0	0	0	0	0	113.8	Q55 L72 C75 R76 V79	A51-Q55 PolarHBondContact O-N 2.67Å; A51-L72 HydrophobicContact CB-CD1 4.06Å; A51-C75 HydrophobicContact CB-CB 4.39Å; A51-C75 WeakPolarHBondContact O-CB 3.04Å; A51-R76 HydrophobicContact CB-CB 4.39Å; A51-R76 HydrophobicContact CB-CG 3.53Å; A51-V79 HydrophobicContact CB-CG2 4.4Å
52	D	89.3	Confident	85	Confident	68 Å²	68	54.7 Å²	54.7	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-73.5	-42.4	178.9	-78	-92.9	0	0	0	110.7	D50 Q55 R56 L72	D50-D52 VanDerWaalsContact C-N 3.3Å; D50-D52 PolarHBondContact O-N 3.34Å; D50-D52 WeakPolarHBondContact OD1-CA 3.48Å; D50-D52 WeakPolarHBondContact OD1-CB 3.25Å; D50-D52 PolarHBondContact OD1-N 3.27Å; D52-Q55 PolarHBondContact O-N 3.4Å; D52-R56 WeakPolarHBondContact O-CG 3.4Å; D52-R56 PolarHBondContact O-N 2.87Å; D52-L72 HydrophobicContact CB-CD1 4.46Å
53	E	90.7	Very high	84.8	Confident	39 Å²	39	54.2 Å²	54.2	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-42.1	173	-70.6	172.5	155.6	0	0	111.2	V42 G44 I49 D50 Q55 R56 C57	V42-E53 HydrophobicContact CB-CB 4.36Å; V42-E53 WeakPolarHBondContact O-CB 3.37Å; V42-E53 VanDerWaalsContact O-CG 3.26Å; V42-E53 WeakPolarHBondContact O-CG 3.2Å; G44-E53 PolarHBondContact N-OE1 3.24Å; I49-E53 VanDerWaalsContact CA-OE2 3.32Å; I49-E53 WeakPolarHBondContact CA-OE2 3.32Å; I49-E53 HydrophobicContact CG2-CB 3.86Å; D50-E53 PolarHBondContact N-OE2 2.69Å; D50-E53 PolarHBondContact O-N 3.34Å; D50-E53 WeakPolarHBondContact OD1-CB 3.44Å; D50-E53 WeakPolarHBondContact OD1-CG 3.32Å; D50-E53 PolarHBondContact OD1-N 2.95Å; E53-Q55 VanDerWaalsContact C-N 3.35Å; E53-Q55 PolarHBondContact O-N 3.15Å; E53-R56 PolarHBondContact O-N 3.28Å; E53-C57 WeakPolarHBondContact O-CB 3.39Å; E53-C57 PolarHBondContact O-N 3.22Å
54	L	89.4	Confident	84.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-44.5	174.8	-179.4	61.2	0	0	0	111.2	I49 D50 R56 C57 L58 C75 M78 V79 F95 L98	I49-L54 HydrophobicContact CG2-CB 3.73Å; D50-L54 VanDerWaalsContact O-CB 3.29Å; D50-L54 WeakPolarHBondContact O-CB 3.48Å; D50-L54 PolarHBondContact O-N 3.25Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.26Å; L54-C57 WeakPolarHBondContact O-CB 3.48Å; L54-C57 PolarHBondContact O-N 3.46Å; L54-L58 HydrophobicContact CD1-CD1 3.94Å; L54-L58 HydrophobicContact CD1-CD2 4.27Å; L54-L58 HydrophobicContact CD1-CG 3.88Å; L54-L58 HydrophobicContact CD2-CD1 4.4Å; L54-L58 HydrophobicContact CG-CD1 3.82Å; L54-L58 HydrophobicContact CG-CG 4.19Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 3.26Å; L54-C75 HydrophobicContact CD2-CB 4.23Å; L54-C75 HydrophobicContact CG-CB 4.46Å; L54-M78 HydrophobicContact CD2-CB 3.85Å; L54-M78 HydrophobicContact CD2-SD 4.26Å; L54-V79 HydrophobicContact CD2-CG2 3.8Å; L54-F95 HydrophobicContact CD1-CD2 4.23Å; L54-F95 HydrophobicContact CD1-CE2 4.1Å; L54-L98 HydrophobicContact CD1-CD2 3.72Å; L54-L98 HydrophobicContact CD2-CD2 3.82Å; L54-L98 HydrophobicContact CG-CD2 4.4Å
55	Q	89.4	Confident	83.9	Confident	56 Å²	56	55.1 Å²	55.1	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-44.8	178.6	-167.8	-167.9	30	0	0	111.6	A51 D52 E53 T59 F70 C75	A51-Q55 PolarHBondContact O-N 2.67Å; D52-Q55 PolarHBondContact O-N 3.4Å; E53-Q55 VanDerWaalsContact C-N 3.35Å; E53-Q55 PolarHBondContact O-N 3.15Å; Q55-T59 WeakPolarHBondContact O-CB 3.34Å; Q55-T59 PolarHBondContact O-N 3.32Å; Q55-T59 PolarHBondContact O-OG1 2.68Å; Q55-F70 PolarHBondContact NE2-O 3.25Å; Q55-C75 VanDerWaalsContact CA-SG 3.53Å; Q55-C75 HydrophobicContact CB-CB 4.36Å
56	R	85.6	Confident	83.6	Confident	150 Å²	150	48.8 Å²	48.8	57%	0.566	30%	0.3	S	S	*	.	H	α-helix	trans	-62.7	-44.6	176.8	-66.6	174	-162.6	169.7	8.9	110.9	D52 E53 L54 T59 Q60	D52-R56 WeakPolarHBondContact O-CG 3.4Å; D52-R56 PolarHBondContact O-N 2.87Å; E53-R56 PolarHBondContact O-N 3.28Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.26Å; R56-T59 PolarHBondContact O-N 2.86Å; R56-Q60 WeakPolarHBondContact O-CB 3.21Å; R56-Q60 VanDerWaalsContact O-CG 3.31Å; R56-Q60 WeakPolarHBondContact O-CG 3.18Å; R56-Q60 PolarHBondContact O-N 3.2Å
57	C	84.8	Confident	83.4	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-49.1	178.7	-171	0	0	0	0	112.4	V42 E53 L54 T59 Q60 S61 F95	V42-C57 HydrophobicContact CB-CB 4.2Å; V42-C57 HydrophobicContact CG1-CB 3.76Å; V42-C57 HydrophobicContact CG2-CB 3.64Å; E53-C57 WeakPolarHBondContact O-CB 3.39Å; E53-C57 PolarHBondContact O-N 3.22Å; L54-C57 WeakPolarHBondContact O-CB 3.48Å; L54-C57 PolarHBondContact O-N 3.46Å; C57-T59 PolarHBondContact O-N 3.11Å; C57-Q60 PolarHBondContact O-N 3.01Å; C57-S61 WeakPolarHBondContact O-CB 3.46Å; C57-S61 PolarHBondContact O-N 3.48Å; C57-S61 PolarHBondContact O-OG 2.91Å; C57-F95 VanDerWaalsContact SG-CZ 3.55Å
58	L	84.6	Confident	83.2	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-33.3	-179.6	-64.8	174.1	0	0	0	111.4	L54 S61 I63 F70 M78 W99 L102	L54-L58 HydrophobicContact CD1-CD1 3.94Å; L54-L58 HydrophobicContact CD1-CD2 4.27Å; L54-L58 HydrophobicContact CD1-CG 3.88Å; L54-L58 HydrophobicContact CD2-CD1 4.4Å; L54-L58 HydrophobicContact CG-CD1 3.82Å; L54-L58 HydrophobicContact CG-CG 4.19Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 3.26Å; L58-S61 WeakPolarHBondContact CA-OG 3.15Å; L58-S61 PolarHBondContact O-OG 3.04Å; L58-I63 HydrophobicContact CB-CG2 4.13Å; L58-I63 HydrophobicContact CD2-CG2 4.02Å; L58-F70 HydrophobicContact CB-CD2 3.76Å; L58-F70 HydrophobicContact CB-CE2 4.09Å; L58-F70 HydrophobicContact CD1-CD2 3.69Å; L58-F70 HydrophobicContact CD1-CE2 4Å; L58-F70 HydrophobicContact CD1-CG 4.5Å; L58-F70 HydrophobicContact CG-CD2 4.32Å; L58-F70 HydrophobicContact CG-CE2 4.48Å; L58-M78 HydrophobicContact CD1-CE 4.11Å; L58-M78 HydrophobicContact CD1-SD 3.53Å; L58-M78 VanDerWaalsContact CD1-SD 3.53Å; L58-W99 HydrophobicContact CD2-CE3 4.41Å; L58-W99 HydrophobicContact CD2-CZ3 4.17Å; L58-L102 HydrophobicContact CD1-CD1 4.26Å; L58-L102 HydrophobicContact CD2-CD1 3.62Å
59	T	84	Confident	83	Confident	69 Å²	69	51.6 Å²	51.6	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-68.9	-50	175	-57.1	0	0	0	0	111.5	Q55 R56 C57 S61 G62 P69	Q55-T59 WeakPolarHBondContact O-CB 3.34Å; Q55-T59 PolarHBondContact O-N 3.32Å; Q55-T59 PolarHBondContact O-OG1 2.68Å; R56-T59 PolarHBondContact O-N 2.86Å; C57-T59 PolarHBondContact O-N 3.11Å; T59-S61 VanDerWaalsContact C-N 3.33Å; T59-S61 PolarHBondContact O-N 2.99Å; T59-G62 PolarHBondContact O-N 2.84Å; T59-P69 HydrophobicContact CG2-CB 4.5Å
60	Q	80.4	Confident	82.9	Confident	137 Å²	137	51.8 Å²	51.8	64%	0.64	30%	0.301	S	S	*	.	H	α-helix	trans	-65.8	-36.9	-178.6	-73.4	177.1	7.8	0	0	112.7	R56 C57 G62	R56-Q60 WeakPolarHBondContact O-CB 3.21Å; R56-Q60 VanDerWaalsContact O-CG 3.31Å; R56-Q60 WeakPolarHBondContact O-CG 3.18Å; R56-Q60 PolarHBondContact O-N 3.2Å; C57-Q60 PolarHBondContact O-N 3.01Å; Q60-G62 PolarHBondContact O-N 3.23Å
61	S	78.5	Confident	82.8	Confident	26 Å²	26	51.6 Å²	51.6	18%	0.182	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.9	178.6	68.5	0	0	0	0	113.5	C57 L58 T59 I63 W99	C57-S61 WeakPolarHBondContact O-CB 3.46Å; C57-S61 PolarHBondContact O-N 3.48Å; C57-S61 PolarHBondContact O-OG 2.91Å; L58-S61 WeakPolarHBondContact CA-OG 3.15Å; L58-S61 PolarHBondContact O-OG 3.04Å; T59-S61 VanDerWaalsContact C-N 3.33Å; T59-S61 PolarHBondContact O-N 2.99Å; S61-I63 PolarHBondContact O-N 2.91Å; S61-W99 WeakPolarHBondContact OG-CH2 3.17Å; S61-W99 VanDerWaalsContact OG-CZ3 3.3Å; S61-W99 WeakPolarHBondContact OG-CZ3 3.37Å
62	G	79.4	Confident	82.7	Confident	40 Å²	40	53 Å²	53	41%	0.412	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	21.8	177.7	0	0	0	0	0	113.3	T59 Q60 A64 G65	T59-G62 PolarHBondContact O-N 2.84Å; Q60-G62 PolarHBondContact O-N 3.23Å; G62-A64 PolarHBondContact O-N 3.42Å; G62-G65 WeakPolarHBondContact O-CA 3.32Å; G62-G65 PolarHBondContact O-N 3.13Å
63	I	77.4	Confident	82.6	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-31	-177.7	-161.5	170.4	0	0	0	111.7	L58 S61 G65 F70 W99 L102 R106	L58-I63 HydrophobicContact CB-CG2 4.13Å; L58-I63 HydrophobicContact CD2-CG2 4.02Å; S61-I63 PolarHBondContact O-N 2.91Å; I63-G65 PolarHBondContact O-N 2.86Å; I63-F70 HydrophobicContact CG2-CE2 3.59Å; I63-F70 HydrophobicContact CG2-CZ 4.35Å; I63-W99 HydrophobicContact CB-CH2 3.92Å; I63-W99 HydrophobicContact CB-CZ3 4.3Å; I63-W99 HydrophobicContact CD1-CD2 4.27Å; I63-W99 HydrophobicContact CD1-CE3 4.09Å; I63-W99 HydrophobicContact CD1-CH2 3.87Å; I63-W99 HydrophobicContact CD1-CZ2 4.14Å; I63-W99 HydrophobicContact CD1-CZ3 3.9Å; I63-W99 HydrophobicContact CG1-CH2 4.19Å; I63-L102 HydrophobicContact CD1-CB 3.67Å; I63-L102 HydrophobicContact CD1-CD1 4.23Å; I63-R106 WeakPolarHBondContact O-CD 3.42Å; I63-R106 PolarHBondContact O-NH1 3.48Å
64	A	75.8	Confident	82.5	Confident	10 Å²	10	52.9 Å²	52.9	8%	0.083	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.2	172.2	0	0	0	0	0	113.3	G62 G66 Y67 F156	G62-A64 PolarHBondContact O-N 3.42Å; A64-G66 VanDerWaalsContact C-N 3.26Å; A64-G66 PolarHBondContact O-N 3.1Å; A64-Y67 VanDerWaalsContact O-CB 3.25Å; A64-Y67 WeakPolarHBondContact O-CB 3.47Å; A64-Y67 WeakPolarHBondContact O-CD2 3.44Å; A64-Y67 PolarHBondContact O-N 2.84Å; A64-F156 HydrophobicContact CB-CE1 4.35Å
65	G	71	Confident	82.5	Confident	56 Å²	56	52.9 Å²	52.9	58%	0.577	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	26.9	162.9	0	0	0	0	0	115.9	G62 I63	G62-G65 WeakPolarHBondContact O-CA 3.32Å; G62-G65 PolarHBondContact O-N 3.13Å; I63-G65 PolarHBondContact O-N 2.86Å
66	G	73.4	Confident	82.5	Confident	84 Å²	84	55.9 Å²	55.9	87%	0.866	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-10.5	-175.1	0	0	0	0	0	114.3	A64	A64-G66 VanDerWaalsContact C-N 3.26Å; A64-G66 PolarHBondContact O-N 3.1Å
67	Y	79	Confident	82.6	Confident	48 Å²	48	49.2 Å²	49.2	19%	0.188	29%	0.288	C	S	.	.	S	Bend	trans	-73.2	164.8	165.9	-55.7	-61.2	0	0	0	111	A64 F109 I110 D113 F156	A64-Y67 VanDerWaalsContact O-CB 3.25Å; A64-Y67 WeakPolarHBondContact O-CB 3.47Å; A64-Y67 WeakPolarHBondContact O-CD2 3.44Å; A64-Y67 PolarHBondContact O-N 2.84Å; Y67-F109 HydrophobicContact CE1-CE1 4.1Å; Y67-F109 HydrophobicContact CE2-CD1 4.14Å; Y67-F109 HydrophobicContact CE2-CE1 4.12Å; Y67-F109 AromaticContact CZ-CE1 3.77Å; Y67-I110 HydrophobicContact CE2-CG1 4.46Å; Y67-D113 PolarHBondContact OH-OD2 3Å; Y67-F156 HydrophobicContact CD1-CB 4.48Å; Y67-F156 HydrophobicContact CD2-CB 4.14Å; Y67-F156 HydrophobicContact CD2-CD1 4.09Å; Y67-F156 HydrophobicContact CD2-CD2 4.22Å; Y67-F156 AromaticContact CD2-CG 3.87Å; Y67-F156 HydrophobicContact CD2-CG 3.87Å; Y67-F156 HydrophobicContact CG-CB 3.91Å; Y67-F156 HydrophobicContact CG-CD1 4.33Å; Y67-F156 HydrophobicContact CG-CG 4.11Å
68	K	80.3	Confident	82.8	Confident	152 Å²	152	49.1 Å²	49.1	66%	0.661	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-53.9	137.7	177.2	-169.9	-176.6	175.1	-167.7	0	110.1
69	P	82	Confident	82.9	Confident	70 Å²	70	49.3 Å²	49.3	46%	0.455	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-56.2	150.1	173.8	-23.9	33.3	0	0	0	111.9	T59	T59-P69 HydrophobicContact CG2-CB 4.5Å
70	F	86	Confident	82.9	Confident	4 Å²	4	48 Å²	48	2%	0.018	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-60.5	138.2	176	-63.6	-65.9	0	0	0	111.2	Q55 L58 I63 T74 M78 F156 D157 I160	Q55-F70 PolarHBondContact NE2-O 3.25Å; L58-F70 HydrophobicContact CB-CD2 3.76Å; L58-F70 HydrophobicContact CB-CE2 4.09Å; L58-F70 HydrophobicContact CD1-CD2 3.69Å; L58-F70 HydrophobicContact CD1-CE2 4Å; L58-F70 HydrophobicContact CD1-CG 4.5Å; L58-F70 HydrophobicContact CG-CD2 4.32Å; L58-F70 HydrophobicContact CG-CE2 4.48Å; I63-F70 HydrophobicContact CG2-CE2 3.59Å; I63-F70 HydrophobicContact CG2-CZ 4.35Å; F70-T74 HydrophobicContact CD1-CG2 3.99Å; F70-M78 HydrophobicContact CD1-CE 3.95Å; F70-M78 HydrophobicContact CD2-CE 4.32Å; F70-M78 HydrophobicContact CE1-CE 3.88Å; F70-M78 HydrophobicContact CE2-CE 4.21Å; F70-M78 HydrophobicContact CG-CE 4.17Å; F70-M78 HydrophobicContact CZ-CE 4Å; F70-F156 HydrophobicContact CE1-CD1 4.12Å; F70-F156 AromaticContact CE1-CE1 3.64Å; F70-F156 HydrophobicContact CE1-CE1 3.64Å; F70-F156 HydrophobicContact CE1-CZ 4.35Å; F70-F156 HydrophobicContact CE2-CE1 4.49Å; F70-F156 HydrophobicContact CZ-CD1 4.37Å; F70-F156 AromaticContact CZ-CE1 3.49Å; F70-F156 HydrophobicContact CZ-CE1 3.49Å; F70-F156 VanDerWaalsContact CZ-CE1 3.49Å; F70-F156 HydrophobicContact CZ-CZ 4.06Å; F70-D157 WeakPolarHBondContact CD1-OD1 2.94Å; F70-I160 HydrophobicContact CE1-CB 3.9Å; F70-I160 HydrophobicContact CE1-CG1 3.89Å; F70-I160 HydrophobicContact CE1-CG2 3.84Å; F70-I160 HydrophobicContact CZ-CG1 4.38Å; F70-I160 HydrophobicContact CZ-CG2 4.4Å
71	N	87.4	Confident	83	Confident	56 Å²	56	42 Å²	42	30%	0.299	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-75.7	161.6	169.4	76.6	59.4	0	0	0	110.8	E73 T74 C75 D157	N71-E73 VanDerWaalsContact C-N 3.27Å; N71-E73 PolarHBondContact O-N 3.16Å; N71-E73 VanDerWaalsContact OD1-CA 3.32Å; N71-E73 WeakPolarHBondContact OD1-CA 3.28Å; N71-E73 WeakPolarHBondContact OD1-CB 3.34Å; N71-E73 PolarHBondContact OD1-N 3.06Å; N71-T74 PolarHBondContact ND2-OG1 3.06Å; N71-T74 VanDerWaalsContact ND2-OG1 3.15Å; N71-T74 PolarHBondContact O-N 3.49Å; N71-T74 PolarHBondContact OD1-N 2.81Å; N71-T74 PolarHBondContact OD1-OG1 2.99Å; N71-C75 PolarHBondContact O-N 3.42Å; N71-D157 WeakPolarHBondContact CB-OD2 3.28Å; N71-D157 PolarHBondContact N-OD1 3.11Å; N71-D157 PolarHBondContact N-OD2 3.08Å; N71-D157 PolarHBondContact ND2-OD2 3.38Å
72	L	87.8	Confident	83.1	Confident	42 Å²	42	41.1 Å²	41.1	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-32.2	-177	-176.4	60.9	0	0	0	112.7	A51 D52 C75 R76	A51-L72 HydrophobicContact CB-CD1 4.06Å; D52-L72 HydrophobicContact CB-CD1 4.46Å; L72-C75 WeakPolarHBondContact O-CB 3.32Å; L72-C75 PolarHBondContact O-N 3.08Å; L72-R76 WeakPolarHBondContact O-CG 3.46Å; L72-R76 PolarHBondContact O-N 2.77Å
73	E	87.3	Confident	83	Confident	102 Å²	102	40.4 Å²	40.4	48%	0.477	23%	0.234	S	C	.	.	H	α-helix	trans	-65.8	-43.5	177.8	-168.8	65	-173.3	0	0	110.9	N71 C75 R76 L77	N71-E73 VanDerWaalsContact C-N 3.27Å; N71-E73 PolarHBondContact O-N 3.16Å; N71-E73 VanDerWaalsContact OD1-CA 3.32Å; N71-E73 WeakPolarHBondContact OD1-CA 3.28Å; N71-E73 WeakPolarHBondContact OD1-CB 3.34Å; N71-E73 PolarHBondContact OD1-N 3.06Å; E73-C75 VanDerWaalsContact C-N 3.26Å; E73-C75 PolarHBondContact O-N 2.97Å; E73-R76 WeakPolarHBondContact O-CB 3.34Å; E73-R76 PolarHBondContact O-N 3.38Å; E73-R76 VanDerWaalsContact O-N 3.11Å; E73-R76 IonicContact OE2-NH1 3.12Å; E73-R76 PolarHBondContact OE2-NH1 3.48Å; E73-R76 VanDerWaalsContact OE2-NH1 3.12Å; E73-L77 WeakPolarHBondContact O-CG 3.22Å; E73-L77 PolarHBondContact O-N 2.93Å
74	T	89	Confident	82.6	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-41.6	173.2	-52.6	0	0	0	0	110.9	F70 N71 L77 M78 D157 I160 A161	F70-T74 HydrophobicContact CD1-CG2 3.99Å; N71-T74 PolarHBondContact ND2-OG1 3.06Å; N71-T74 VanDerWaalsContact ND2-OG1 3.15Å; N71-T74 PolarHBondContact O-N 3.49Å; N71-T74 PolarHBondContact OD1-N 2.81Å; N71-T74 PolarHBondContact OD1-OG1 2.99Å; T74-L77 PolarHBondContact O-N 3.22Å; T74-M78 HydrophobicContact CG2-CE 3.62Å; T74-M78 VanDerWaalsContact O-CG 3.3Å; T74-M78 WeakPolarHBondContact O-CG 3.43Å; T74-M78 PolarHBondContact O-N 2.91Å; T74-D157 VanDerWaalsContact CB-OD1 3.32Å; T74-D157 WeakPolarHBondContact CB-OD1 3.02Å; T74-D157 PolarHBondContact OG1-OD1 3.36Å; T74-I160 HydrophobicContact CG2-CG2 4.13Å; T74-A161 HydrophobicContact CG2-CB 4.03Å
75	C	90	Very high	82.5	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-39.5	175.7	-65.4	0	0	0	0	112.4	A51 L54 Q55 N71 L72 E73 M78 V79	A51-C75 HydrophobicContact CB-CB 4.39Å; A51-C75 WeakPolarHBondContact O-CB 3.04Å; L54-C75 HydrophobicContact CD2-CB 4.23Å; L54-C75 HydrophobicContact CG-CB 4.46Å; Q55-C75 VanDerWaalsContact CA-SG 3.53Å; Q55-C75 HydrophobicContact CB-CB 4.36Å; N71-C75 PolarHBondContact O-N 3.42Å; L72-C75 WeakPolarHBondContact O-CB 3.32Å; L72-C75 PolarHBondContact O-N 3.08Å; E73-C75 VanDerWaalsContact C-N 3.26Å; E73-C75 PolarHBondContact O-N 2.97Å; C75-M78 WeakPolarHBondContact O-CB 3.48Å; C75-M78 PolarHBondContact O-N 3.21Å; C75-V79 WeakPolarHBondContact O-CG2 3.29Å; C75-V79 PolarHBondContact O-N 3.23Å
76	R	88.3	Confident	82.6	Confident	118 Å²	118	55.7 Å²	55.7	45%	0.445	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-46	173.1	-70.7	175.4	-175.2	146.7	-1.3	112	A51 L72 E73 M78 V79 S80	A51-R76 HydrophobicContact CB-CB 4.39Å; A51-R76 HydrophobicContact CB-CG 3.53Å; L72-R76 WeakPolarHBondContact O-CG 3.46Å; L72-R76 PolarHBondContact O-N 2.77Å; E73-R76 WeakPolarHBondContact O-CB 3.34Å; E73-R76 PolarHBondContact O-N 3.38Å; E73-R76 VanDerWaalsContact O-N 3.11Å; E73-R76 IonicContact OE2-NH1 3.12Å; E73-R76 PolarHBondContact OE2-NH1 3.48Å; E73-R76 VanDerWaalsContact OE2-NH1 3.12Å; R76-M78 PolarHBondContact O-N 2.8Å; R76-V79 PolarHBondContact O-N 2.87Å; R76-S80 PolarHBondContact O-N 2.89Å; R76-S80 PolarHBondContact O-OG 3.24Å
77	L	88.3	Confident	82.8	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-56.8	-41	175.2	-61	176.7	0	0	0	110.8	E73 T74 S80 M81 A161 V164 K165 V198	E73-L77 WeakPolarHBondContact O-CG 3.22Å; E73-L77 PolarHBondContact O-N 2.93Å; T74-L77 PolarHBondContact O-N 3.22Å; L77-S80 PolarHBondContact O-N 2.93Å; L77-M81 WeakPolarHBondContact O-CB 3.3Å; L77-M81 PolarHBondContact O-N 2.82Å; L77-A161 HydrophobicContact CD1-CB 3.89Å; L77-V164 HydrophobicContact CB-CB 4.38Å; L77-V164 HydrophobicContact CB-CG1 3.63Å; L77-V164 WeakPolarHBondContact O-CG1 3.47Å; L77-K165 HydrophobicContact CD2-CD 4.36Å; L77-V198 WeakPolarHBondContact CD2-OXT 3.41Å
78	M	88.7	Confident	82.8	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-41	179.3	-71.8	176.7	-168.7	0	0	112.3	L54 L58 F70 T74 C75 R76 L98 L102 I160 V164	L54-M78 HydrophobicContact CD2-CB 3.85Å; L54-M78 HydrophobicContact CD2-SD 4.26Å; L58-M78 HydrophobicContact CD1-CE 4.11Å; L58-M78 HydrophobicContact CD1-SD 3.53Å; L58-M78 VanDerWaalsContact CD1-SD 3.53Å; F70-M78 HydrophobicContact CD1-CE 3.95Å; F70-M78 HydrophobicContact CD2-CE 4.32Å; F70-M78 HydrophobicContact CE1-CE 3.88Å; F70-M78 HydrophobicContact CE2-CE 4.21Å; F70-M78 HydrophobicContact CG-CE 4.17Å; F70-M78 HydrophobicContact CZ-CE 4Å; T74-M78 HydrophobicContact CG2-CE 3.62Å; T74-M78 VanDerWaalsContact O-CG 3.3Å; T74-M78 WeakPolarHBondContact O-CG 3.43Å; T74-M78 PolarHBondContact O-N 2.91Å; C75-M78 WeakPolarHBondContact O-CB 3.48Å; C75-M78 PolarHBondContact O-N 3.21Å; R76-M78 PolarHBondContact O-N 2.8Å; M78-L98 HydrophobicContact CB-CD1 3.83Å; M78-L98 HydrophobicContact CB-CD2 4.04Å; M78-L98 HydrophobicContact CG-CD1 3.96Å; M78-L98 HydrophobicContact SD-CD1 4.29Å; M78-L98 HydrophobicContact SD-CD2 4.22Å; M78-L102 HydrophobicContact CE-CD1 4.09Å; M78-L102 HydrophobicContact CE-CD2 3.59Å; M78-L102 HydrophobicContact SD-CD1 3.88Å; M78-L102 HydrophobicContact SD-CD2 4.09Å; M78-I160 HydrophobicContact CE-CG2 3.4Å; M78-V164 HydrophobicContact CG-CG1 4.49Å; M78-V164 HydrophobicContact CG-CG2 3.88Å
79	V	86.5	Confident	83	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-56	173.1	176	0	0	0	0	109.3	A51 L54 C75 R76 M81 L82 D83 M90	A51-V79 HydrophobicContact CB-CG2 4.4Å; L54-V79 HydrophobicContact CD2-CG2 3.8Å; C75-V79 WeakPolarHBondContact O-CG2 3.29Å; C75-V79 PolarHBondContact O-N 3.23Å; R76-V79 PolarHBondContact O-N 2.87Å; V79-M81 PolarHBondContact O-N 2.99Å; V79-M81 VanDerWaalsContact O-N 3.08Å; V79-L82 PolarHBondContact O-N 3.43Å; V79-D83 HydrophobicContact CG1-CB 4.36Å; V79-D83 WeakPolarHBondContact O-CB 3.19Å; V79-D83 PolarHBondContact O-N 2.8Å; V79-M90 HydrophobicContact CB-CE 4.47Å; V79-M90 HydrophobicContact CG2-CE 4.25Å
80	S	84.3	Confident	83.3	Confident	43 Å²	43	44.9 Å²	44.9	30%	0.301	23%	0.232	S	C	.	.	H	α-helix	trans	-55.6	-30.7	179.6	-67.7	0	0	0	0	114.2	R76 L77 L82 T197	R76-S80 PolarHBondContact O-N 2.89Å; R76-S80 PolarHBondContact O-OG 3.24Å; L77-S80 PolarHBondContact O-N 2.93Å; S80-L82 VanDerWaalsContact C-N 3.32Å; S80-L82 PolarHBondContact O-N 3.11Å; S80-T197 VanDerWaalsContact CB-O 3.31Å; S80-T197 WeakPolarHBondContact CB-O 3.25Å; S80-T197 PolarHBondContact OG-O 3.21Å
81	M	83.4	Confident	83.3	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.049	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-33.5	178.6	-173.5	-172.6	116.5	0	0	112.8	L77 V79 V101 W105 V164 R167 A168	L77-M81 WeakPolarHBondContact O-CB 3.3Å; L77-M81 PolarHBondContact O-N 2.82Å; V79-M81 PolarHBondContact O-N 2.99Å; V79-M81 VanDerWaalsContact O-N 3.08Å; M81-V101 HydrophobicContact CE-CG1 4.36Å; M81-W105 HydrophobicContact CE-CH2 4.26Å; M81-W105 HydrophobicContact SD-CH2 3.78Å; M81-V164 HydrophobicContact CB-CG1 3.91Å; M81-V164 HydrophobicContact CG-CG1 4.4Å; M81-V164 HydrophobicContact SD-CB 4.46Å; M81-V164 HydrophobicContact SD-CG1 4.02Å; M81-R167 HydrophobicContact CE-CG 4.2Å; M81-R167 VanDerWaalsContact CE-CZ 3.46Å; M81-R167 HydrophobicContact SD-CB 4.08Å; M81-R167 HydrophobicContact SD-CG 4.03Å; M81-A168 HydrophobicContact CB-CB 4.2Å; M81-A168 HydrophobicContact CG-CB 4.06Å
82	L	79.8	Confident	83.2	Confident	7 Å²	7	43 Å²	43	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-111.1	-14.9	-174.3	-68.6	168.4	0	0	0	113.3	V79 S80 R84 M90 E94 E97 L98	V79-L82 PolarHBondContact O-N 3.43Å; S80-L82 VanDerWaalsContact C-N 3.32Å; S80-L82 PolarHBondContact O-N 3.11Å; L82-R84 WeakPolarHBondContact O-CG 3.3Å; L82-R84 PolarHBondContact O-N 3.03Å; L82-M90 HydrophobicContact CB-CE 4.09Å; L82-M90 HydrophobicContact CD1-CE 4.05Å; L82-E94 HydrophobicContact CB-CB 4.29Å; L82-E94 WeakPolarHBondContact CD1-O 3.42Å; L82-E97 HydrophobicContact CD2-CB 4.3Å; L82-L98 HydrophobicContact CD1-CB 3.4Å; L82-L98 HydrophobicContact CD1-CD1 3.89Å; L82-L98 HydrophobicContact CD1-CG 4.17Å
83	D	77.4	Confident	83.1	Confident	25 Å²	25	45.2 Å²	45.2	13%	0.134	24%	0.236	C	C	.	.			trans	-66.2	93.6	172.8	-179	7	0	0	0	110.1	V79 D85 M86 S87 G88	V79-D83 HydrophobicContact CG1-CB 4.36Å; V79-D83 WeakPolarHBondContact O-CB 3.19Å; V79-D83 PolarHBondContact O-N 2.8Å; D83-D85 PolarHBondContact OD1-N 3.01Å; D83-M86 VanDerWaalsContact OD1-CA 3.22Å; D83-M86 WeakPolarHBondContact OD1-CA 3.43Å; D83-M86 PolarHBondContact OD1-N 3.21Å; D83-M86 VanDerWaalsContact OD2-C 3.31Å; D83-M86 VanDerWaalsContact OD2-CA 3.25Å; D83-M86 WeakPolarHBondContact OD2-CA 3.19Å; D83-S87 PolarHBondContact OD1-N 2.95Å; D83-S87 PolarHBondContact OD1-OG 2.75Å; D83-S87 PolarHBondContact OD2-N 3.3Å; D83-G88 WeakPolarHBondContact OD2-CA 3.34Å; D83-G88 PolarHBondContact OD2-N 3.31Å
84	R	69.7	Low	83	Confident	156 Å²	156	42.1 Å²	42.1	59%	0.589	22%	0.222	S	C	*	.	S	Bend	trans	-82.1	-23.3	-178	-65.9	177.5	-167.1	170.8	9	112.3	L82 E97	L82-R84 WeakPolarHBondContact O-CG 3.3Å; L82-R84 PolarHBondContact O-N 3.03Å; R84-E97 IonicContact NH2-OE1 3.66Å; R84-E97 PolarHBondContact NH2-OE1 3.02Å; R84-E97 IonicContact NH2-OE2 2.85Å; R84-E97 PolarHBondContact NH2-OE2 2.83Å
85	D	72.4	Confident	82.8	Confident	102 Å²	102	42 Å²	42	55%	0.545	22%	0.221	S	C	.	.	S	Bend	trans	-103	0.4	-176	65	-1.4	0	0	0	113.5	D83 S87	D83-D85 PolarHBondContact OD1-N 3.01Å; D85-S87 PolarHBondContact O-N 3.01Å; D85-S87 WeakPolarHBondContact OD1-CB 3.43Å; D85-S87 PolarHBondContact OD1-N 3.35Å; D85-S87 VanDerWaalsContact OD1-N 3.15Å; D85-S87 PolarHBondContact OD1-OG 3.33Å
86	M	73.7	Confident	82.6	Confident	134 Å²	134	45 Å²	45	66%	0.66	24%	0.235	S	C	*	.			trans	59	31.4	-176.3	-55.8	-179.1	-64	0	0	112	D83 G88	D83-M86 VanDerWaalsContact OD1-CA 3.22Å; D83-M86 WeakPolarHBondContact OD1-CA 3.43Å; D83-M86 PolarHBondContact OD1-N 3.21Å; D83-M86 VanDerWaalsContact OD2-C 3.31Å; D83-M86 VanDerWaalsContact OD2-CA 3.25Å; D83-M86 WeakPolarHBondContact OD2-CA 3.19Å; M86-G88 PolarHBondContact O-N 3.31Å
87	S	78	Confident	82.5	Confident	54 Å²	54	43.3 Å²	43.3	38%	0.378	23%	0.231	S	C	.	.			trans	-70.1	-18.3	176.8	59.5	0	0	0	0	112.5	D83 D85 T89	D83-S87 PolarHBondContact OD1-N 2.95Å; D83-S87 PolarHBondContact OD1-OG 2.75Å; D83-S87 PolarHBondContact OD2-N 3.3Å; D85-S87 PolarHBondContact O-N 3.01Å; D85-S87 WeakPolarHBondContact OD1-CB 3.43Å; D85-S87 PolarHBondContact OD1-N 3.35Å; D85-S87 VanDerWaalsContact OD1-N 3.15Å; D85-S87 PolarHBondContact OD1-OG 3.33Å; S87-T89 PolarHBondContact O-N 2.76Å; S87-T89 PolarHBondContact OG-N 2.99Å; S87-T89 PolarHBondContact OG-O 2.9Å; S87-T89 PolarHBondContact OG-OG1 2.87Å; S87-T89 VanDerWaalsContact OG-OG1 3.09Å
88	G	79.3	Confident	82.5	Confident	43 Å²	43	42.8 Å²	42.8	44%	0.443	23%	0.229	S	C	.	.	S	Bend	trans	72.6	10.6	-171.1	0	0	0	0	0	113	D83 M86	D83-G88 WeakPolarHBondContact OD2-CA 3.34Å; D83-G88 PolarHBondContact OD2-N 3.31Å; M86-G88 PolarHBondContact O-N 3.31Å
89	T	84.1	Confident	82.4	Confident	29 Å²	29	44.7 Å²	44.7	18%	0.178	24%	0.236	C	C	.	.			trans	-135.3	163.4	-175.4	65.4	0	0	0	0	110.9	Q48 I49 S87	Q48-T89 HydrophobicContact CB-CG2 4.46Å; I49-T89 CarbonylContact O-C 3.59Å; I49-T89 WeakPolarHBondContact O-CA 3.45Å; S87-T89 PolarHBondContact O-N 2.76Å; S87-T89 PolarHBondContact OG-N 2.99Å; S87-T89 PolarHBondContact OG-O 2.9Å; S87-T89 PolarHBondContact OG-OG1 2.87Å; S87-T89 VanDerWaalsContact OG-OG1 3.09Å
90	M	87.2	Confident	82.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-126.8	126.1	-174.8	-173.8	177.9	-62.9	0	0	112.2	Q48 I49 V79 L82 E94 F95 L98	Q48-M90 PolarHBondContact OE1-O 2.87Å; I49-M90 HydrophobicContact CB-CB 4.45Å; I49-M90 PolarHBondContact N-O 3.12Å; I49-M90 PolarHBondContact O-N 2.85Å; V79-M90 HydrophobicContact CB-CE 4.47Å; V79-M90 HydrophobicContact CG2-CE 4.25Å; L82-M90 HydrophobicContact CB-CE 4.09Å; L82-M90 HydrophobicContact CD1-CE 4.05Å; M90-E94 HydrophobicContact CG-CB 3.46Å; M90-E94 VanDerWaalsContact CG-CB 3.46Å; M90-E94 HydrophobicContact SD-CB 4.19Å; M90-F95 HydrophobicContact CG-CB 4.4Å; M90-F95 WeakPolarHBondContact SD-CA 2.99Å; M90-F95 HydrophobicContact SD-CB 4.04Å; M90-F95 HydrophobicContact SD-CD2 4.46Å; M90-F95 PolarHBondContact SD-N 3.16Å; M90-L98 HydrophobicContact CE-CB 4.5Å; M90-L98 HydrophobicContact CE-CD2 3.89Å; M90-L98 HydrophobicContact SD-CB 4.18Å; M90-L98 HydrophobicContact SD-CD2 3.94Å
91	G	87.5	Confident	82.4	Confident	12 Å²	12	46.7 Å²	46.7	12%	0.124	25%	0.253	C	S	.	.			trans	-84.9	170.9	175.6	0	0	0	0	0	112.8	N93 E94 F95	G91-N93 VanDerWaalsContact C-N 3.32Å; G91-N93 PolarHBondContact O-N 3.39Å; G91-E94 PolarHBondContact N-OE2 3.27Å; G91-E94 PolarHBondContact O-N 3.41Å; G91-E94 VanDerWaalsContact O-N 3.17Å; G91-F95 PolarHBondContact O-N 2.97Å
92	F	85.6	Confident	82.5	Confident	10 Å²	10	46.3 Å²	46.3	4%	0.044	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-37.5	-175.4	-179.1	-120.4	0	0	0	114.3	Q30 D33 L35 Y36 F39 F95 K96	Q30-F92 HydrophobicContact CB-CD1 3.79Å; Q30-F92 HydrophobicContact CB-CE1 3.81Å; Q30-F92 HydrophobicContact CG-CD1 3.76Å; Q30-F92 HydrophobicContact CG-CE1 4.01Å; D33-F92 HydrophobicContact CB-CE1 4.25Å; D33-F92 HydrophobicContact CB-CZ 3.83Å; L35-F92 HydrophobicContact CB-CE2 4.3Å; Y36-F92 VanDerWaalsContact CA-CE2 3.46Å; Y36-F92 AromaticContact CD2-CD1 3.85Å; Y36-F92 HydrophobicContact CD2-CD1 3.85Å; Y36-F92 AromaticContact CD2-CD2 3.85Å; Y36-F92 HydrophobicContact CD2-CD2 3.85Å; Y36-F92 AromaticContact CD2-CE1 3.8Å; Y36-F92 HydrophobicContact CD2-CE1 3.8Å; Y36-F92 AromaticContact CD2-CE2 3.83Å; Y36-F92 HydrophobicContact CD2-CE2 3.83Å; Y36-F92 AromaticContact CD2-CG 3.87Å; Y36-F92 HydrophobicContact CD2-CG 3.87Å; Y36-F92 AromaticContact CD2-CZ 3.8Å; Y36-F92 HydrophobicContact CD2-CZ 3.8Å; Y36-F92 HydrophobicContact CE2-CD1 4.4Å; Y36-F92 HydrophobicContact CE2-CG 4.31Å; Y36-F92 HydrophobicContact CG-CE2 4.35Å; Y36-F92 HydrophobicContact CG-CZ 4.26Å; F39-F92 HydrophobicContact CB-CD2 3.63Å; F39-F92 HydrophobicContact CB-CE2 3.95Å; F39-F92 HydrophobicContact CD1-CB 4.07Å; F39-F92 AromaticContact CD1-CD2 3.85Å; F39-F92 HydrophobicContact CD1-CD2 3.85Å; F39-F92 HydrophobicContact CD1-CG 4.3Å; F39-F92 HydrophobicContact CD2-CB 4.19Å; F39-F92 AromaticContact CD2-CD2 3.8Å; F39-F92 HydrophobicContact CD2-CD2 3.8Å; F39-F92 HydrophobicContact CE1-CB 3.89Å; F39-F92 VanDerWaalsContact CE2-CA 3.49Å; F39-F92 HydrophobicContact CE2-CB 4.04Å; F39-F92 HydrophobicContact CE2-CD2 4.49Å; F39-F92 HydrophobicContact CG-CB 4.25Å; F39-F92 AromaticContact CG-CD2 3.48Å; F39-F92 HydrophobicContact CG-CD2 3.48Å; F39-F92 VanDerWaalsContact CG-CD2 3.48Å; F39-F92 HydrophobicContact CG-CE2 4.29Å; F39-F92 HydrophobicContact CG-CG 4.29Å; F39-F92 HydrophobicContact CZ-CB 3.89Å; F92-F95 HydrophobicContact CD2-CD1 4.39Å; F92-F95 HydrophobicContact CE2-CD1 4.42Å; F92-F95 PolarHBondContact O-N 3.37Å; F92-K96 HydrophobicContact CD1-CD 4.36Å; F92-K96 HydrophobicContact CD2-CG 4.44Å; F92-K96 HydrophobicContact CE1-CD 3.64Å; F92-K96 HydrophobicContact CE1-CG 4.17Å; F92-K96 HydrophobicContact CE2-CD 4.25Å; F92-K96 HydrophobicContact CE2-CG 3.91Å; F92-K96 HydrophobicContact CZ-CD 3.57Å; F92-K96 HydrophobicContact CZ-CG 3.76Å; F92-K96 WeakPolarHBondContact O-CG 3.44Å; F92-K96 PolarHBondContact O-N 2.94Å
93	N	84.1	Confident	82.8	Confident	87 Å²	87	47.6 Å²	47.6	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-67.7	-40.4	179.3	-70.7	-31.3	0	0	0	111.7	Q30 G91 K96 E97	Q30-N93 PolarHBondContact NE2-ND2 3.37Å; Q30-N93 PolarHBondContact NE2-OD1 3.03Å; G91-N93 VanDerWaalsContact C-N 3.32Å; G91-N93 PolarHBondContact O-N 3.39Å; N93-K96 PolarHBondContact O-N 3.06Å; N93-E97 PolarHBondContact O-N 3.25Å; N93-E97 VanDerWaalsContact O-N 3.11Å
94	E	85.6	Confident	83.2	Confident	37 Å²	37	47.6 Å²	47.6	17%	0.173	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-40.4	175	-67.3	161.5	160.5	0	0	110.5	L82 M90 G91 K96 E97 L98	L82-E94 HydrophobicContact CB-CB 4.29Å; L82-E94 WeakPolarHBondContact CD1-O 3.42Å; M90-E94 HydrophobicContact CG-CB 3.46Å; M90-E94 VanDerWaalsContact CG-CB 3.46Å; M90-E94 HydrophobicContact SD-CB 4.19Å; G91-E94 PolarHBondContact N-OE2 3.27Å; G91-E94 PolarHBondContact O-N 3.41Å; G91-E94 VanDerWaalsContact O-N 3.17Å; E94-K96 VanDerWaalsContact C-N 3.32Å; E94-K96 PolarHBondContact O-N 2.82Å; E94-E97 WeakPolarHBondContact O-CB 3.3Å; E94-E97 PolarHBondContact O-N 2.77Å; E94-E97 VanDerWaalsContact O-N 3.12Å; E94-L98 PolarHBondContact O-N 2.86Å
95	F	85.7	Confident	84	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-41.9	174.2	179	-100.8	0	0	0	112.6	L35 F39 I49 L54 C57 M90 G91 F92 L98 W99	L35-F95 HydrophobicContact CB-CE1 4.32Å; F39-F95 HydrophobicContact CB-CD1 4.07Å; F39-F95 HydrophobicContact CB-CE1 4.23Å; F39-F95 HydrophobicContact CD2-CB 3.79Å; F39-F95 HydrophobicContact CD2-CD1 4.03Å; F39-F95 HydrophobicContact CD2-CD2 4.5Å; F39-F95 AromaticContact CD2-CG 3.85Å; F39-F95 HydrophobicContact CD2-CG 3.85Å; F39-F95 HydrophobicContact CE2-CB 4.18Å; I49-F95 HydrophobicContact CD1-CD2 4.12Å; L54-F95 HydrophobicContact CD1-CD2 4.23Å; L54-F95 HydrophobicContact CD1-CE2 4.1Å; C57-F95 VanDerWaalsContact SG-CZ 3.55Å; M90-F95 HydrophobicContact CG-CB 4.4Å; M90-F95 WeakPolarHBondContact SD-CA 2.99Å; M90-F95 HydrophobicContact SD-CB 4.04Å; M90-F95 HydrophobicContact SD-CD2 4.46Å; M90-F95 PolarHBondContact SD-N 3.16Å; G91-F95 PolarHBondContact O-N 2.97Å; F92-F95 HydrophobicContact CD2-CD1 4.39Å; F92-F95 HydrophobicContact CE2-CD1 4.42Å; F92-F95 PolarHBondContact O-N 3.37Å; F95-L98 WeakPolarHBondContact O-CB 2.91Å; F95-L98 PolarHBondContact O-N 3.46Å; F95-W99 HydrophobicContact CE1-CE3 4.48Å; F95-W99 AromaticContact CZ-CE3 3.91Å; F95-W99 HydrophobicContact CZ-CE3 3.91Å; F95-W99 HydrophobicContact CZ-CZ3 4.47Å; F95-W99 WeakPolarHBondContact O-CB 3.29Å; F95-W99 PolarHBondContact O-N 2.86Å
96	K	85.6	Confident	84.6	Confident	63 Å²	63	39.3 Å²	39.3	27%	0.274	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-42	174.4	-73.2	-171.3	-62.9	176.1	0	112.4	D33 L35 F92 N93 E94 W99 A100	D33-K96 WeakPolarHBondContact OD2-CD 3.32Å; L35-K96 HydrophobicContact CD1-CG 4.23Å; F92-K96 HydrophobicContact CD1-CD 4.36Å; F92-K96 HydrophobicContact CD2-CG 4.44Å; F92-K96 HydrophobicContact CE1-CD 3.64Å; F92-K96 HydrophobicContact CE1-CG 4.17Å; F92-K96 HydrophobicContact CE2-CD 4.25Å; F92-K96 HydrophobicContact CE2-CG 3.91Å; F92-K96 HydrophobicContact CZ-CD 3.57Å; F92-K96 HydrophobicContact CZ-CG 3.76Å; F92-K96 WeakPolarHBondContact O-CG 3.44Å; F92-K96 PolarHBondContact O-N 2.94Å; N93-K96 PolarHBondContact O-N 3.06Å; E94-K96 VanDerWaalsContact C-N 3.32Å; E94-K96 PolarHBondContact O-N 2.82Å; K96-W99 PolarHBondContact O-N 3.27Å; K96-A100 PolarHBondContact O-N 3.31Å; K96-A100 VanDerWaalsContact O-N 3.08Å
97	E	86.6	Confident	85.2	Confident	81 Å²	81	39.1 Å²	39.1	38%	0.379	22%	0.223	S	C	.	.	H	α-helix	trans	-60.6	-46.6	174.4	-72.5	-176.2	-167.5	0	0	110.5	L82 R84 N93 E94 W99 A100 V101	L82-E97 HydrophobicContact CD2-CB 4.3Å; R84-E97 IonicContact NH2-OE1 3.66Å; R84-E97 PolarHBondContact NH2-OE1 3.02Å; R84-E97 IonicContact NH2-OE2 2.85Å; R84-E97 PolarHBondContact NH2-OE2 2.83Å; N93-E97 PolarHBondContact O-N 3.25Å; N93-E97 VanDerWaalsContact O-N 3.11Å; E94-E97 WeakPolarHBondContact O-CB 3.3Å; E94-E97 PolarHBondContact O-N 2.77Å; E94-E97 VanDerWaalsContact O-N 3.12Å; E97-W99 VanDerWaalsContact C-N 3.34Å; E97-W99 PolarHBondContact O-N 2.78Å; E97-A100 PolarHBondContact O-N 3.24Å; E97-V101 WeakPolarHBondContact O-CG2 3.4Å; E97-V101 PolarHBondContact O-N 3.48Å; E97-V101 VanDerWaalsContact O-N 3.11Å
98	L	87.3	Confident	85.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-56.3	-50.3	175.8	-175.3	61.5	0	0	0	111	L54 M78 L82 M90 E94 F95 A100 V101 L102	L54-L98 HydrophobicContact CD1-CD2 3.72Å; L54-L98 HydrophobicContact CD2-CD2 3.82Å; L54-L98 HydrophobicContact CG-CD2 4.4Å; M78-L98 HydrophobicContact CB-CD1 3.83Å; M78-L98 HydrophobicContact CB-CD2 4.04Å; M78-L98 HydrophobicContact CG-CD1 3.96Å; M78-L98 HydrophobicContact SD-CD1 4.29Å; M78-L98 HydrophobicContact SD-CD2 4.22Å; L82-L98 HydrophobicContact CD1-CB 3.4Å; L82-L98 HydrophobicContact CD1-CD1 3.89Å; L82-L98 HydrophobicContact CD1-CG 4.17Å; M90-L98 HydrophobicContact CE-CB 4.5Å; M90-L98 HydrophobicContact CE-CD2 3.89Å; M90-L98 HydrophobicContact SD-CB 4.18Å; M90-L98 HydrophobicContact SD-CD2 3.94Å; E94-L98 PolarHBondContact O-N 2.86Å; F95-L98 WeakPolarHBondContact O-CB 2.91Å; F95-L98 PolarHBondContact O-N 3.46Å; L98-A100 VanDerWaalsContact C-N 3.33Å; L98-A100 PolarHBondContact O-N 3.32Å; L98-V101 PolarHBondContact O-N 3.2Å; L98-V101 VanDerWaalsContact O-N 3.13Å; L98-L102 HydrophobicContact CD1-CD1 4.11Å; L98-L102 HydrophobicContact CD1-CD2 4.37Å; L98-L102 HydrophobicContact CD1-CG 3.98Å; L98-L102 HydrophobicContact CD2-CD1 4.23Å; L98-L102 HydrophobicContact CG-CD1 3.81Å; L98-L102 HydrophobicContact CG-CG 4.07Å; L98-L102 WeakPolarHBondContact O-CB 3.19Å; L98-L102 WeakPolarHBondContact O-CG 3.45Å; L98-L102 PolarHBondContact O-N 2.97Å
99	W	85.9	Confident	85.9	Confident	40 Å²	40	37.1 Å²	37.1	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-43.7	-176.6	-171.3	-92	0	0	0	112.1	L35 L58 S61 I63 F95 K96 E97 V101 N103	L35-W99 HydrophobicContact CD1-CB 4.08Å; L35-W99 VanDerWaalsContact CD1-CD1 3.49Å; L35-W99 HydrophobicContact CD1-CG 3.77Å; L35-W99 HydrophobicContact CD2-CD2 3.9Å; L35-W99 HydrophobicContact CD2-CG 3.95Å; L35-W99 HydrophobicContact CD2-CZ2 4.31Å; L58-W99 HydrophobicContact CD2-CE3 4.41Å; L58-W99 HydrophobicContact CD2-CZ3 4.17Å; S61-W99 WeakPolarHBondContact OG-CH2 3.17Å; S61-W99 VanDerWaalsContact OG-CZ3 3.3Å; S61-W99 WeakPolarHBondContact OG-CZ3 3.37Å; I63-W99 HydrophobicContact CB-CH2 3.92Å; I63-W99 HydrophobicContact CB-CZ3 4.3Å; I63-W99 HydrophobicContact CD1-CD2 4.27Å; I63-W99 HydrophobicContact CD1-CE3 4.09Å; I63-W99 HydrophobicContact CD1-CH2 3.87Å; I63-W99 HydrophobicContact CD1-CZ2 4.14Å; I63-W99 HydrophobicContact CD1-CZ3 3.9Å; I63-W99 HydrophobicContact CG1-CH2 4.19Å; F95-W99 HydrophobicContact CE1-CE3 4.48Å; F95-W99 AromaticContact CZ-CE3 3.91Å; F95-W99 HydrophobicContact CZ-CE3 3.91Å; F95-W99 HydrophobicContact CZ-CZ3 4.47Å; F95-W99 WeakPolarHBondContact O-CB 3.29Å; F95-W99 PolarHBondContact O-N 2.86Å; K96-W99 PolarHBondContact O-N 3.27Å; E97-W99 VanDerWaalsContact C-N 3.34Å; E97-W99 PolarHBondContact O-N 2.78Å; W99-V101 VanDerWaalsContact C-N 3.35Å; W99-N103 PolarHBondContact NE1-ND2 3.32Å; W99-N103 PolarHBondContact O-N 3.36Å; W99-N103 PolarHBondContact O-ND2 3.09Å
100	A	86.5	Confident	85.9	Confident	64 Å²	64	39.4 Å²	39.4	53%	0.529	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-42.9	176.5	0	0	0	0	0	111.6	K96 E97 L98 N103 G104	K96-A100 PolarHBondContact O-N 3.31Å; K96-A100 VanDerWaalsContact O-N 3.08Å; E97-A100 PolarHBondContact O-N 3.24Å; L98-A100 VanDerWaalsContact C-N 3.33Å; L98-A100 PolarHBondContact O-N 3.32Å; A100-N103 PolarHBondContact O-N 2.89Å; A100-G104 PolarHBondContact O-N 2.86Å; A100-G104 VanDerWaalsContact O-N 3.09Å
101	V	85.6	Confident	85.8	Confident	24 Å²	24	42.9 Å²	42.9	15%	0.145	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-46	-179.8	173.2	0	0	0	0	111.5	M81 E97 L98 W99 N103 G104 W105	M81-V101 HydrophobicContact CE-CG1 4.36Å; E97-V101 WeakPolarHBondContact O-CG2 3.4Å; E97-V101 PolarHBondContact O-N 3.48Å; E97-V101 VanDerWaalsContact O-N 3.11Å; L98-V101 PolarHBondContact O-N 3.2Å; L98-V101 VanDerWaalsContact O-N 3.13Å; W99-V101 VanDerWaalsContact C-N 3.35Å; V101-N103 VanDerWaalsContact C-N 3.31Å; V101-N103 PolarHBondContact O-N 2.81Å; V101-G104 PolarHBondContact O-N 2.79Å; V101-W105 HydrophobicContact CG1-CD2 3.76Å; V101-W105 HydrophobicContact CG1-CE3 3.73Å; V101-W105 HydrophobicContact CG1-CH2 3.44Å; V101-W105 VanDerWaalsContact CG1-CH2 3.44Å; V101-W105 HydrophobicContact CG1-CZ2 3.49Å; V101-W105 VanDerWaalsContact CG1-CZ2 3.49Å; V101-W105 HydrophobicContact CG1-CZ3 3.53Å; V101-W105 PolarHBondContact O-N 3.41Å
102	L	86	Confident	85.5	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-39.5	177.7	-70.2	-179.1	0	0	0	111.6	L58 I63 M78 L98 W105 R106 I160	L58-L102 HydrophobicContact CD1-CD1 4.26Å; L58-L102 HydrophobicContact CD2-CD1 3.62Å; I63-L102 HydrophobicContact CD1-CB 3.67Å; I63-L102 HydrophobicContact CD1-CD1 4.23Å; M78-L102 HydrophobicContact CE-CD1 4.09Å; M78-L102 HydrophobicContact CE-CD2 3.59Å; M78-L102 HydrophobicContact SD-CD1 3.88Å; M78-L102 HydrophobicContact SD-CD2 4.09Å; L98-L102 HydrophobicContact CD1-CD1 4.11Å; L98-L102 HydrophobicContact CD1-CD2 4.37Å; L98-L102 HydrophobicContact CD1-CG 3.98Å; L98-L102 HydrophobicContact CD2-CD1 4.23Å; L98-L102 HydrophobicContact CG-CD1 3.81Å; L98-L102 HydrophobicContact CG-CG 4.07Å; L98-L102 WeakPolarHBondContact O-CB 3.19Å; L98-L102 WeakPolarHBondContact O-CG 3.45Å; L98-L102 PolarHBondContact O-N 2.97Å; L102-W105 HydrophobicContact CD2-CE3 4.05Å; L102-W105 HydrophobicContact CD2-CZ3 4.29Å; L102-W105 PolarHBondContact O-N 3.04Å; L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.25Å; L102-R106 PolarHBondContact O-N 3.37Å; L102-I160 HydrophobicContact CD2-CG2 3.77Å
103	N	85.6	Confident	85.2	Confident	34 Å²	34	43.5 Å²	43.5	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-41.3	174.9	-83.2	-64	0	0	0	112.4	W99 A100 V101 R106 Q107	W99-N103 PolarHBondContact NE1-ND2 3.32Å; W99-N103 PolarHBondContact O-N 3.36Å; W99-N103 PolarHBondContact O-ND2 3.09Å; A100-N103 PolarHBondContact O-N 2.89Å; V101-N103 VanDerWaalsContact C-N 3.31Å; V101-N103 PolarHBondContact O-N 2.81Å; N103-R106 PolarHBondContact O-N 3.23Å; N103-Q107 WeakPolarHBondContact O-CG 3.45Å; N103-Q107 PolarHBondContact O-N 2.86Å
104	G	85.9	Confident	84.6	Confident	26 Å²	26	44.2 Å²	44.2	27%	0.268	24%	0.242	S	C	.	.	H	α-helix	trans	-59.3	-51.7	173.5	0	0	0	0	0	111.5	A100 V101 R106 Q107 H108	A100-G104 PolarHBondContact O-N 2.86Å; A100-G104 VanDerWaalsContact O-N 3.09Å; V101-G104 PolarHBondContact O-N 2.79Å; G104-R106 VanDerWaalsContact C-N 3.31Å; G104-R106 PolarHBondContact O-N 3.22Å; G104-Q107 PolarHBondContact O-N 2.86Å; G104-H108 PolarHBondContact O-CD2 2.88Å; G104-H108 PolarHBondContact O-N 3.34Å
105	W	86.3	Confident	84.1	Confident	20 Å²	20	48 Å²	48	8%	0.076	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-33.9	178.9	-67.8	-22.6	0	0	0	113.6	M81 V101 L102 H108 F109 M132 I160 C163 V164 R167	M81-W105 HydrophobicContact CE-CH2 4.26Å; M81-W105 HydrophobicContact SD-CH2 3.78Å; V101-W105 HydrophobicContact CG1-CD2 3.76Å; V101-W105 HydrophobicContact CG1-CE3 3.73Å; V101-W105 HydrophobicContact CG1-CH2 3.44Å; V101-W105 VanDerWaalsContact CG1-CH2 3.44Å; V101-W105 HydrophobicContact CG1-CZ2 3.49Å; V101-W105 VanDerWaalsContact CG1-CZ2 3.49Å; V101-W105 HydrophobicContact CG1-CZ3 3.53Å; V101-W105 PolarHBondContact O-N 3.41Å; L102-W105 HydrophobicContact CD2-CE3 4.05Å; L102-W105 HydrophobicContact CD2-CZ3 4.29Å; L102-W105 PolarHBondContact O-N 3.04Å; W105-H108 WeakPolarHBondContact O-CB 3.37Å; W105-H108 PolarHBondContact O-N 2.98Å; W105-F109 WeakPolarHBondContact O-CB 3.39Å; W105-F109 PolarHBondContact O-N 3.21Å; W105-M132 HydrophobicContact CB-CE 4.49Å; W105-M132 VanDerWaalsContact CD1-SD 3.59Å; W105-M132 HydrophobicContact CG-CE 4.08Å; W105-M132 PolarHBondContact NE1-SD 3.15Å; W105-I160 HydrophobicContact CB-CD1 3.58Å; W105-I160 HydrophobicContact CE3-CD1 4.21Å; W105-I160 HydrophobicContact CG-CD1 4.5Å; W105-C163 HydrophobicContact CD2-CB 3.93Å; W105-C163 HydrophobicContact CE3-CB 4.12Å; W105-C163 HydrophobicContact CG-CB 4.47Å; W105-C163 HydrophobicContact CH2-CB 4.25Å; W105-C163 HydrophobicContact CZ2-CB 4.04Å; W105-C163 HydrophobicContact CZ3-CB 4.31Å; W105-V164 HydrophobicContact CE3-CG2 4.36Å; W105-V164 HydrophobicContact CH2-CB 4.45Å; W105-V164 HydrophobicContact CH2-CG2 3.96Å; W105-V164 HydrophobicContact CZ3-CB 4.34Å; W105-V164 HydrophobicContact CZ3-CG2 3.41Å; W105-V164 VanDerWaalsContact CZ3-CG2 3.41Å; W105-R167 HydrophobicContact CH2-CB 4.47Å; W105-R167 HydrophobicContact CZ2-CB 4.32Å
106	R	85.3	Confident	83.7	Confident	64 Å²	64	58 Å²	58	24%	0.242	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-47.1	172.7	-173.8	-176.7	77.5	168.8	1.2	111.8	I63 L102 N103 G104 H108 F109 I110 F156	I63-R106 WeakPolarHBondContact O-CD 3.42Å; I63-R106 PolarHBondContact O-NH1 3.48Å; L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.25Å; L102-R106 PolarHBondContact O-N 3.37Å; N103-R106 PolarHBondContact O-N 3.23Å; G104-R106 VanDerWaalsContact C-N 3.31Å; G104-R106 PolarHBondContact O-N 3.22Å; R106-H108 VanDerWaalsContact C-N 3.28Å; R106-H108 PolarHBondContact O-N 2.85Å; R106-F109 PolarHBondContact O-N 2.96Å; R106-I110 HydrophobicContact CG-CD1 3.9Å; R106-I110 HydrophobicContact CG-CG1 4.49Å; R106-I110 WeakPolarHBondContact O-CG1 3.49Å; R106-I110 PolarHBondContact O-N 3.39Å; R106-F156 HydrophobicContact CB-CE2 4.26Å; R106-F156 HydrophobicContact CB-CZ 4.21Å; R106-F156 HydrophobicContact CG-CE2 4.17Å; R106-F156 HydrophobicContact CG-CZ 4.11Å
107	Q	86.4	Confident	83.4	Confident	129 Å²	129	57.3 Å²	57.3	60%	0.603	30%	0.304	S	S	*	.	H	α-helix	trans	-61	-40.7	176.6	-73.6	178.7	-1	0	0	111.3	N103 G104 I110 S111	N103-Q107 WeakPolarHBondContact O-CG 3.45Å; N103-Q107 PolarHBondContact O-N 2.86Å; G104-Q107 PolarHBondContact O-N 2.86Å; Q107-I110 PolarHBondContact O-N 3.39Å; Q107-S111 WeakPolarHBondContact O-CB 3.39Å; Q107-S111 PolarHBondContact O-N 3.43Å
108	H	85.8	Confident	83.1	Confident	55 Å²	55	54 Å²	54	26%	0.255	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-50.7	172.2	-84.1	-114.7	0	0	0	111.3	G104 W105 R106 I110 S111 F112 M132	G104-H108 PolarHBondContact O-CD2 2.88Å; G104-H108 PolarHBondContact O-N 3.34Å; W105-H108 WeakPolarHBondContact O-CB 3.37Å; W105-H108 PolarHBondContact O-N 2.98Å; R106-H108 VanDerWaalsContact C-N 3.28Å; R106-H108 PolarHBondContact O-N 2.85Å; H108-I110 VanDerWaalsContact C-N 3.34Å; H108-I110 PolarHBondContact O-N 3.39Å; H108-S111 WeakPolarHBondContact O-CB 3.44Å; H108-S111 PolarHBondContact O-N 2.77Å; H108-S111 PolarHBondContact O-OG 2.78Å; H108-F112 HydrophobicContact CB-CE2 4.47Å; H108-F112 WeakPolarHBondContact O-CD2 3.47Å; H108-F112 PolarHBondContact O-N 3.41Å; H108-M132 HydrophobicContact CB-CE 4.09Å
109	F	85.2	Confident	83	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.9	-49.6	178.5	-174.4	-88.4	0	0	0	111.7	Y67 W105 R106 S111 F112 D113 V120 F156 Y159	Y67-F109 HydrophobicContact CE1-CE1 4.1Å; Y67-F109 HydrophobicContact CE2-CD1 4.14Å; Y67-F109 HydrophobicContact CE2-CE1 4.12Å; Y67-F109 AromaticContact CZ-CE1 3.77Å; W105-F109 WeakPolarHBondContact O-CB 3.39Å; W105-F109 PolarHBondContact O-N 3.21Å; R106-F109 PolarHBondContact O-N 2.96Å; F109-S111 PolarHBondContact O-N 3.47Å; F109-F112 PolarHBondContact O-N 2.8Å; F109-D113 HydrophobicContact CD1-CB 4.09Å; F109-D113 HydrophobicContact CE1-CB 3.85Å; F109-D113 WeakPolarHBondContact O-CB 3.33Å; F109-D113 PolarHBondContact O-N 3.17Å; F109-V120 HydrophobicContact CD2-CG2 3.58Å; F109-V120 HydrophobicContact CE2-CB 4.12Å; F109-V120 HydrophobicContact CE2-CG2 3.22Å; F109-V120 HydrophobicContact CG-CG2 4.4Å; F109-V120 HydrophobicContact CZ-CG2 3.76Å; F109-F156 HydrophobicContact CB-CD2 4.09Å; F109-F156 HydrophobicContact CB-CE2 4.14Å; F109-F156 AromaticContact CD1-CD2 3.7Å; F109-F156 HydrophobicContact CD1-CD2 3.7Å; F109-F156 HydrophobicContact CD1-CE2 4.41Å; F109-F156 AromaticContact CD2-CD2 3.89Å; F109-F156 HydrophobicContact CD2-CD2 3.89Å; F109-F156 HydrophobicContact CE1-CB 4.1Å; F109-F156 HydrophobicContact CE1-CD2 4.04Å; F109-F156 HydrophobicContact CE2-CB 4.2Å; F109-F156 HydrophobicContact CE2-CD2 4.18Å; F109-F156 AromaticContact CG-CD2 3.62Å; F109-F156 HydrophobicContact CG-CD2 3.62Å; F109-F156 HydrophobicContact CG-CE2 4.17Å; F109-F156 HydrophobicContact CZ-CB 3.86Å; F109-F156 HydrophobicContact CZ-CD2 4.26Å; F109-Y159 HydrophobicContact CB-CD1 4.22Å; F109-Y159 HydrophobicContact CB-CE1 3.92Å; F109-Y159 AromaticContact CD2-CD1 3.54Å; F109-Y159 HydrophobicContact CD2-CD1 3.54Å; F109-Y159 HydrophobicContact CD2-CD2 4.08Å; F109-Y159 AromaticContact CD2-CE1 3.96Å; F109-Y159 HydrophobicContact CD2-CE1 3.96Å; F109-Y159 HydrophobicContact CD2-CE2 4.45Å; F109-Y159 AromaticContact CD2-CG 3.58Å; F109-Y159 HydrophobicContact CD2-CG 3.58Å; F109-Y159 HydrophobicContact CE2-CD1 4.38Å; F109-Y159 HydrophobicContact CE2-CG 4.06Å; F109-Y159 HydrophobicContact CG-CD1 4.32Å; F109-Y159 HydrophobicContact CG-CE1 4.45Å
110	I	84.7	Confident	83	Confident	77 Å²	77	53.1 Å²	53.1	40%	0.395	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-34	178.3	-67.1	167.7	0	0	0	111.8	Y67 R106 Q107 H108 F112	Y67-I110 HydrophobicContact CE2-CG1 4.46Å; R106-I110 HydrophobicContact CG-CD1 3.9Å; R106-I110 HydrophobicContact CG-CG1 4.49Å; R106-I110 WeakPolarHBondContact O-CG1 3.49Å; R106-I110 PolarHBondContact O-N 3.39Å; Q107-I110 PolarHBondContact O-N 3.39Å; H108-I110 VanDerWaalsContact C-N 3.34Å; H108-I110 PolarHBondContact O-N 3.39Å; I110-F112 VanDerWaalsContact C-N 3.27Å; I110-F112 PolarHBondContact O-N 3Å
111	S	84.7	Confident	82.9	Confident	74 Å²	74	53 Å²	53	52%	0.517	28%	0.281	S	S	.	.	H	α-helix	trans	-69.8	-24.5	177.2	76.3	0	0	0	0	113.4	Q107 H108 F109	Q107-S111 WeakPolarHBondContact O-CB 3.39Å; Q107-S111 PolarHBondContact O-N 3.43Å; H108-S111 WeakPolarHBondContact O-CB 3.44Å; H108-S111 PolarHBondContact O-N 2.77Å; H108-S111 PolarHBondContact O-OG 2.78Å; F109-S111 PolarHBondContact O-N 3.47Å
112	F	81.6	Confident	82.8	Confident	32 Å²	32	53.5 Å²	53.5	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-93.3	-40.2	176.9	-67.5	-67.2	0	0	0	111.9	H108 F109 I110 S114 E124 K127 A128	H108-F112 HydrophobicContact CB-CE2 4.47Å; H108-F112 WeakPolarHBondContact O-CD2 3.47Å; H108-F112 PolarHBondContact O-N 3.41Å; F109-F112 PolarHBondContact O-N 2.8Å; I110-F112 VanDerWaalsContact C-N 3.27Å; I110-F112 PolarHBondContact O-N 3Å; F112-S114 PolarHBondContact O-N 3.07Å; F112-S114 PolarHBondContact O-OG 3.08Å; F112-E124 HydrophobicContact CB-CB 4.37Å; F112-K127 HydrophobicContact CD1-CB 4.4Å; F112-K127 HydrophobicContact CE1-CB 3.66Å; F112-K127 HydrophobicContact CZ-CB 4.18Å; F112-A128 HydrophobicContact CD2-CB 3.66Å; F112-A128 VanDerWaalsContact CE2-CA 3.43Å; F112-A128 HydrophobicContact CE2-CB 3.47Å; F112-A128 VanDerWaalsContact CE2-CB 3.47Å; F112-A128 HydrophobicContact CG-CB 4.44Å; F112-A128 HydrophobicContact CZ-CB 4.07Å
113	D	79.1	Confident	82.7	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.011	31%	0.31	C	S	.	.			trans	-71.3	59.3	173.4	-174.9	35.2	0	0	0	111.5	Y67 F109 D115 R116 S117 G118	Y67-D113 PolarHBondContact OH-OD2 3Å; F109-D113 HydrophobicContact CD1-CB 4.09Å; F109-D113 HydrophobicContact CE1-CB 3.85Å; F109-D113 WeakPolarHBondContact O-CB 3.33Å; F109-D113 PolarHBondContact O-N 3.17Å; D113-D115 PolarHBondContact O-N 3.13Å; D113-D115 VanDerWaalsContact OD1-OD1 3.11Å; D113-R116 PolarHBondContact O-N 3.45Å; D113-R116 WeakPolarHBondContact OD1-CA 3.37Å; D113-R116 PolarHBondContact OD1-N 3.42Å; D113-R116 WeakPolarHBondContact OD2-CA 3.35Å; D113-S117 PolarHBondContact OD1-N 3.41Å; D113-S117 PolarHBondContact OD1-OG 2.83Å; D113-S117 VanDerWaalsContact OD1-OG 3.06Å; D113-G118 PolarHBondContact OD1-N 2.88Å; D113-G118 VanDerWaalsContact OD1-N 3.11Å; D113-G118 WeakPolarHBondContact OD2-CA 3.26Å; D113-G118 PolarHBondContact OD2-N 2.93Å
114	S	70.6	Confident	82.6	Confident	102 Å²	102	59.4 Å²	59.4	71%	0.713	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.9	-173.8	-63.3	0	0	0	0	112.4	F112 R116	F112-S114 PolarHBondContact O-N 3.07Å; F112-S114 PolarHBondContact O-OG 3.08Å; S114-R116 VanDerWaalsContact C-N 3.34Å
115	D	75.5	Confident	82.7	Confident	118 Å²	118	58.1 Å²	58.1	63%	0.631	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.1	177.4	71.4	-12.3	0	0	0	113.2	D113 S117	D113-D115 PolarHBondContact O-N 3.13Å; D113-D115 VanDerWaalsContact OD1-OD1 3.11Å; D115-S117 PolarHBondContact O-N 2.84Å; D115-S117 WeakPolarHBondContact OD1-CB 3.3Å; D115-S117 PolarHBondContact OD1-N 2.97Å; D115-S117 PolarHBondContact OD1-OG 3.41Å; D115-S117 WeakPolarHBondContact OD2-CB 3.22Å
116	R	76.8	Confident	82.6	Confident	210 Å²	210	60.7 Å²	60.7	79%	0.792	31%	0.311	S	S	*	.			trans	52.5	33.2	-174.5	-58.5	-173.9	179.9	-174.3	0.2	112.7	D113 S114 G118	D113-R116 PolarHBondContact O-N 3.45Å; D113-R116 WeakPolarHBondContact OD1-CA 3.37Å; D113-R116 PolarHBondContact OD1-N 3.42Å; D113-R116 WeakPolarHBondContact OD2-CA 3.35Å; S114-R116 VanDerWaalsContact C-N 3.34Å; R116-G118 PolarHBondContact O-N 3.42Å
117	S	79.4	Confident	82.5	Confident	48 Å²	48	63.9 Å²	63.9	34%	0.336	33%	0.327	S	S	.	.			trans	-66	-17.2	174.8	67.9	0	0	0	0	112.5	D113 D115 T119	D113-S117 PolarHBondContact OD1-N 3.41Å; D113-S117 PolarHBondContact OD1-OG 2.83Å; D113-S117 VanDerWaalsContact OD1-OG 3.06Å; D115-S117 PolarHBondContact O-N 2.84Å; D115-S117 WeakPolarHBondContact OD1-CB 3.3Å; D115-S117 PolarHBondContact OD1-N 2.97Å; D115-S117 PolarHBondContact OD1-OG 3.41Å; D115-S117 WeakPolarHBondContact OD2-CB 3.22Å; S117-T119 PolarHBondContact O-N 3.4Å; S117-T119 PolarHBondContact OG-N 2.96Å; S117-T119 PolarHBondContact OG-O 3.21Å; S117-T119 VanDerWaalsContact OG-O 3.1Å; S117-T119 PolarHBondContact OG-OG1 3.2Å
118	G	81.6	Confident	82.5	Confident	13 Å²	13	57.7 Å²	57.7	13%	0.134	30%	0.298	C	S	.	.	S	Bend	trans	71	18.5	-171.6	0	0	0	0	0	113.1	D113 R116	D113-G118 PolarHBondContact OD1-N 2.88Å; D113-G118 VanDerWaalsContact OD1-N 3.11Å; D113-G118 WeakPolarHBondContact OD2-CA 3.26Å; D113-G118 PolarHBondContact OD2-N 2.93Å; R116-G118 PolarHBondContact O-N 3.42Å
119	T	85	Confident	82.6	Confident	22 Å²	22	55.1 Å²	55.1	14%	0.135	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148	178.7	57.5	0	0	0	0	111.4	S117 K153 I154	S117-T119 PolarHBondContact O-N 3.4Å; S117-T119 PolarHBondContact OG-N 2.96Å; S117-T119 PolarHBondContact OG-O 3.21Å; S117-T119 VanDerWaalsContact OG-O 3.1Å; S117-T119 PolarHBondContact OG-OG1 3.2Å; T119-K153 HydrophobicContact CG2-CB 3.9Å; T119-K153 HydrophobicContact CG2-CD 4.09Å; T119-K153 HydrophobicContact CG2-CG 4.45Å; T119-K153 PolarHBondContact OG1-NZ 3.39Å; T119-I154 CarbonylContact C-O 3.5Å; T119-I154 WeakPolarHBondContact CA-O 3.33Å
120	V	85.9	Confident	82.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.1	177	169.7	0	0	0	0	108.9	F109 E124 L125 I154	F109-V120 HydrophobicContact CD2-CG2 3.58Å; F109-V120 HydrophobicContact CE2-CB 4.12Å; F109-V120 HydrophobicContact CE2-CG2 3.22Å; F109-V120 HydrophobicContact CG-CG2 4.4Å; F109-V120 HydrophobicContact CZ-CG2 3.76Å; V120-E124 WeakPolarHBondContact CA-OE2 3.13Å; V120-E124 HydrophobicContact CG1-CB 3.55Å; V120-L125 HydrophobicContact CG1-CB 4.25Å; V120-I154 PolarHBondContact N-O 2.88Å; V120-I154 WeakPolarHBondContact O-CB 3.3Å; V120-I154 PolarHBondContact O-N 3.01Å
121	D	84.9	Confident	82.6	Confident	60 Å²	60	59.9 Å²	59.9	32%	0.321	32%	0.319	S	S	.	.			trans	-86	166.1	174.7	81	29.4	0	0	0	112.2	Q123 E124 L125	D121-Q123 VanDerWaalsContact C-N 3.27Å; D121-Q123 PolarHBondContact O-N 3.47Å; D121-Q123 WeakPolarHBondContact OD1-CA 3.49Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.46Å; D121-Q123 PolarHBondContact OD1-N 2.86Å; D121-Q123 PolarHBondContact OD1-OE1 2.83Å; D121-E124 PolarHBondContact N-OE2 2.92Å; D121-E124 PolarHBondContact O-N 3.36Å; D121-E124 WeakPolarHBondContact OD1-CG 3.32Å; D121-E124 PolarHBondContact OD1-N 2.99Å; D121-L125 PolarHBondContact O-N 3.36Å
122	P	82.5	Confident	82.4	Confident	35 Å²	35	58.3 Å²	58.3	23%	0.227	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-33	-179.6	-27.6	36.8	0	0	0	114.9	Q126 A145	P122-Q126 PolarHBondContact O-N 3Å; P122-A145 HydrophobicContact CB-CB 3.81Å; P122-A145 HydrophobicContact CG-CB 4.2Å
123	Q	83	Confident	82.5	Confident	115 Å²	115	58.9 Å²	58.9	54%	0.537	32%	0.319	S	S	.	.	H	α-helix	trans	-73.4	-40.1	-179.2	-66	84.3	-23.4	0	0	110.9	D121 Q126 K127	D121-Q123 VanDerWaalsContact C-N 3.27Å; D121-Q123 PolarHBondContact O-N 3.47Å; D121-Q123 WeakPolarHBondContact OD1-CA 3.49Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.46Å; D121-Q123 PolarHBondContact OD1-N 2.86Å; D121-Q123 PolarHBondContact OD1-OE1 2.83Å; Q123-Q126 PolarHBondContact O-N 3.38Å; Q123-K127 PolarHBondContact O-N 2.9Å
124	E	85.5	Confident	82.9	Confident	45 Å²	45	60.2 Å²	60.2	21%	0.21	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-42.7	172.4	-70.7	171	157.4	0	0	111.2	F112 V120 D121 Q126 K127 A128	F112-E124 HydrophobicContact CB-CB 4.37Å; V120-E124 WeakPolarHBondContact CA-OE2 3.13Å; V120-E124 HydrophobicContact CG1-CB 3.55Å; D121-E124 PolarHBondContact N-OE2 2.92Å; D121-E124 PolarHBondContact O-N 3.36Å; D121-E124 WeakPolarHBondContact OD1-CG 3.32Å; D121-E124 PolarHBondContact OD1-N 2.99Å; E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 3.36Å; E124-K127 PolarHBondContact O-N 3.49Å; E124-A128 WeakPolarHBondContact O-CB 3.17Å; E124-A128 PolarHBondContact O-N 3.47Å
125	L	86.1	Confident	83.6	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-57.4	-43.9	173.2	-178.8	70.7	0	0	0	111.1	V120 D121 K127 A128 L129 I144 A145 I154 Y159	V120-L125 HydrophobicContact CG1-CB 4.25Å; D121-L125 PolarHBondContact O-N 3.36Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 3.1Å; L125-A128 PolarHBondContact O-N 3.46Å; L125-L129 HydrophobicContact CD1-CD1 4.35Å; L125-L129 HydrophobicContact CD1-CD2 4.44Å; L125-L129 HydrophobicContact CD1-CG 4.14Å; L125-L129 HydrophobicContact CD2-CD1 4.42Å; L125-L129 HydrophobicContact CG-CD1 4.05Å; L125-L129 HydrophobicContact CG-CG 4.2Å; L125-L129 WeakPolarHBondContact O-CG 3.35Å; L125-L129 PolarHBondContact O-N 3.24Å; L125-I144 HydrophobicContact CD2-CG2 4.28Å; L125-A145 HydrophobicContact CD2-CB 3.84Å; L125-I154 HydrophobicContact CB-CD1 4.22Å; L125-I154 HydrophobicContact CD2-CD1 3.68Å; L125-I154 HydrophobicContact CG-CD1 4.35Å; L125-Y159 HydrophobicContact CD1-CD2 3.82Å; L125-Y159 HydrophobicContact CD1-CE2 3.97Å
126	Q	84.8	Confident	84.2	Confident	73 Å²	73	61.9 Å²	61.9	34%	0.341	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-44.6	178.5	-174.1	177.7	15.5	0	0	112.1	P122 Q123 E124 T130 V141	P122-Q126 PolarHBondContact O-N 3Å; Q123-Q126 PolarHBondContact O-N 3.38Å; E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 3.36Å; Q126-T130 WeakPolarHBondContact O-CB 3.25Å; Q126-T130 PolarHBondContact O-N 3.01Å; Q126-T130 VanDerWaalsContact O-N 3.14Å; Q126-T130 PolarHBondContact O-OG1 3.2Å; Q126-V141 HydrophobicContact CB-CG1 3.77Å; Q126-V141 HydrophobicContact CG-CG1 4.02Å
127	K	84.4	Confident	84.8	Confident	131 Å²	131	55.7 Å²	55.7	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-63	-46.6	175.5	-69.3	174.3	-176	172.3	0	110.4	F112 Q123 E124 L125 L129 T130 T131	F112-K127 HydrophobicContact CD1-CB 4.4Å; F112-K127 HydrophobicContact CE1-CB 3.66Å; F112-K127 HydrophobicContact CZ-CB 4.18Å; Q123-K127 PolarHBondContact O-N 2.9Å; E124-K127 PolarHBondContact O-N 3.49Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 3.1Å; K127-L129 PolarHBondContact O-N 2.92Å; K127-T130 WeakPolarHBondContact O-CB 3.22Å; K127-T130 PolarHBondContact O-N 3.47Å; K127-T130 VanDerWaalsContact O-N 3.16Å; K127-T131 PolarHBondContact O-N 2.9Å; K127-T131 PolarHBondContact O-OG1 2.64Å
128	A	86.1	Confident	85.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.8	-49.9	-179.8	0	0	0	0	0	112.8	F112 E124 L125 T130 T131 M132 Y159	F112-A128 HydrophobicContact CD2-CB 3.66Å; F112-A128 VanDerWaalsContact CE2-CA 3.43Å; F112-A128 HydrophobicContact CE2-CB 3.47Å; F112-A128 VanDerWaalsContact CE2-CB 3.47Å; F112-A128 HydrophobicContact CG-CB 4.44Å; F112-A128 HydrophobicContact CZ-CB 4.07Å; E124-A128 WeakPolarHBondContact O-CB 3.17Å; E124-A128 PolarHBondContact O-N 3.47Å; L125-A128 PolarHBondContact O-N 3.46Å; A128-T130 VanDerWaalsContact C-N 3.28Å; A128-T130 PolarHBondContact O-N 2.89Å; A128-T131 PolarHBondContact O-N 3.4Å; A128-M132 WeakPolarHBondContact O-CG 3.5Å; A128-M132 PolarHBondContact O-N 3.18Å; A128-Y159 HydrophobicContact CB-CE2 3.91Å
129	L	86.5	Confident	85.5	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-39.1	177.6	-66.9	-178.7	0	0	0	111.6	L125 K127 M132 G133 F134 L136 V141 L166	L125-L129 HydrophobicContact CD1-CD1 4.35Å; L125-L129 HydrophobicContact CD1-CD2 4.44Å; L125-L129 HydrophobicContact CD1-CG 4.14Å; L125-L129 HydrophobicContact CD2-CD1 4.42Å; L125-L129 HydrophobicContact CG-CD1 4.05Å; L125-L129 HydrophobicContact CG-CG 4.2Å; L125-L129 WeakPolarHBondContact O-CG 3.35Å; L125-L129 PolarHBondContact O-N 3.24Å; K127-L129 PolarHBondContact O-N 2.92Å; L129-M132 PolarHBondContact O-N 3.05Å; L129-G133 PolarHBondContact O-N 3.48Å; L129-F134 HydrophobicContact CB-CB 4.35Å; L129-F134 HydrophobicContact CB-CD2 4.38Å; L129-F134 HydrophobicContact CD2-CD2 4Å; L129-F134 HydrophobicContact CD2-CE2 4.4Å; L129-F134 WeakPolarHBondContact O-CB 3.39Å; L129-F134 WeakPolarHBondContact O-CD2 3.32Å; L129-F134 PolarHBondContact O-N 3.49Å; L129-L136 HydrophobicContact CD1-CD1 4.22Å; L129-V141 HydrophobicContact CD1-CG1 4.34Å; L129-V141 HydrophobicContact CD1-CG2 4.48Å; L129-L166 HydrophobicContact CD1-CD2 4.38Å; L129-L166 HydrophobicContact CD2-CD2 3.67Å
130	T	86.2	Confident	85.8	Confident	89 Å²	89	65.4 Å²	65.4	55%	0.546	34%	0.339	S	S	.	.	H	α-helix	trans	-65.4	-44.1	176.7	-55	0	0	0	0	111.5	Q126 K127 A128 M132 G133	Q126-T130 WeakPolarHBondContact O-CB 3.25Å; Q126-T130 PolarHBondContact O-N 3.01Å; Q126-T130 VanDerWaalsContact O-N 3.14Å; Q126-T130 PolarHBondContact O-OG1 3.2Å; K127-T130 WeakPolarHBondContact O-CB 3.22Å; K127-T130 PolarHBondContact O-N 3.47Å; K127-T130 VanDerWaalsContact O-N 3.16Å; A128-T130 VanDerWaalsContact C-N 3.28Å; A128-T130 PolarHBondContact O-N 2.89Å; T130-M132 VanDerWaalsContact C-N 3.27Å; T130-M132 PolarHBondContact O-N 3.37Å; T130-G133 WeakPolarHBondContact O-CA 3.28Å; T130-G133 PolarHBondContact O-N 3.45Å
131	T	84.1	Confident	85.9	Confident	88 Å²	88	65.6 Å²	65.6	54%	0.54	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-31.5	177.6	-49.8	0	0	0	0	112	K127 A128 G133	K127-T131 PolarHBondContact O-N 2.9Å; K127-T131 PolarHBondContact O-OG1 2.64Å; A128-T131 PolarHBondContact O-N 3.4Å; T131-G133 PolarHBondContact O-N 2.95Å
132	M	80.6	Confident	86.1	Confident	41 Å²	41	66.5 Å²	66.5	20%	0.202	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-4.6	171.6	-68.6	-176.7	-165.6	0	0	113.7	W105 H108 A128 L129 T130 F134 Y159	W105-M132 HydrophobicContact CB-CE 4.49Å; W105-M132 VanDerWaalsContact CD1-SD 3.59Å; W105-M132 HydrophobicContact CG-CE 4.08Å; W105-M132 PolarHBondContact NE1-SD 3.15Å; H108-M132 HydrophobicContact CB-CE 4.09Å; A128-M132 WeakPolarHBondContact O-CG 3.5Å; A128-M132 PolarHBondContact O-N 3.18Å; L129-M132 PolarHBondContact O-N 3.05Å; T130-M132 VanDerWaalsContact C-N 3.27Å; T130-M132 PolarHBondContact O-N 3.37Å; M132-F134 HydrophobicContact CB-CD2 3.71Å; M132-F134 HydrophobicContact CB-CE2 3.75Å; M132-F134 HydrophobicContact SD-CE2 4.1Å; M132-Y159 HydrophobicContact CE-CE1 4.17Å; M132-Y159 WeakPolarHBondContact CE-OH 3.45Å
133	G	84.8	Confident	86.5	Confident	43 Å²	43	68.5 Å²	68.5	44%	0.443	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	4	178.1	0	0	0	0	0	114.7	L129 T130 T131 R135	L129-G133 PolarHBondContact O-N 3.48Å; T130-G133 WeakPolarHBondContact O-CA 3.28Å; T130-G133 PolarHBondContact O-N 3.45Å; T131-G133 PolarHBondContact O-N 2.95Å; G133-R135 PolarHBondContact O-N 3.03Å
134	F	86.3	Confident	86.9	Confident	30 Å²	30	64.4 Å²	64.4	13%	0.132	34%	0.341	C	S	.	.			trans	-74.3	120.8	175.2	-60.5	-72.2	0	0	0	110.5	L129 M132 L136 L166 R167	L129-F134 HydrophobicContact CB-CB 4.35Å; L129-F134 HydrophobicContact CB-CD2 4.38Å; L129-F134 HydrophobicContact CD2-CD2 4Å; L129-F134 HydrophobicContact CD2-CE2 4.4Å; L129-F134 WeakPolarHBondContact O-CB 3.39Å; L129-F134 WeakPolarHBondContact O-CD2 3.32Å; L129-F134 PolarHBondContact O-N 3.49Å; M132-F134 HydrophobicContact CB-CD2 3.71Å; M132-F134 HydrophobicContact CB-CE2 3.75Å; M132-F134 HydrophobicContact SD-CE2 4.1Å; F134-L136 HydrophobicContact CB-CG 4.34Å; F134-L136 PolarHBondContact O-N 3.28Å; F134-L166 HydrophobicContact CB-CD2 4.16Å; F134-L166 HydrophobicContact CD1-CD2 3.61Å; F134-L166 HydrophobicContact CD1-CG 3.87Å; F134-L166 HydrophobicContact CD2-CD2 3.58Å; F134-L166 HydrophobicContact CE1-CB 4.46Å; F134-L166 HydrophobicContact CE1-CD2 3.78Å; F134-L166 HydrophobicContact CE1-CG 3.71Å; F134-L166 HydrophobicContact CE2-CD2 3.75Å; F134-L166 HydrophobicContact CE2-CG 4.4Å; F134-L166 HydrophobicContact CG-CD2 3.51Å; F134-L166 HydrophobicContact CG-CG 4.29Å; F134-L166 HydrophobicContact CZ-CB 4.36Å; F134-L166 HydrophobicContact CZ-CD2 3.85Å; F134-L166 HydrophobicContact CZ-CG 3.99Å; F134-R167 HydrophobicContact CZ-CB 4.33Å
135	R	86.6	Confident	87.1	Confident	196 Å²	196	62.3 Å²	62.3	74%	0.74	33%	0.332	S	S	*	.			trans	-99.5	77.2	175.3	-67.2	-170.3	177.3	179.9	-1.6	110.4	P4 G133	P4-R135 HydrophobicContact CG-CG 4.22Å; G133-R135 PolarHBondContact O-N 3.03Å
136	L	87.9	Confident	87.3	Confident	60 Å²	60	70.3 Å²	70.3	31%	0.314	37%	0.366	S	S	.	.			trans	-99.8	145.6	177	-60.3	175.7	0	0	0	110.3	L129 F134 T140 V141 I144 L166	L129-L136 HydrophobicContact CD1-CD1 4.22Å; F134-L136 HydrophobicContact CB-CG 4.34Å; F134-L136 PolarHBondContact O-N 3.28Å; L136-T140 HydrophobicContact CB-CG2 4.47Å; L136-T140 HydrophobicContact CD1-CG2 4.44Å; L136-T140 HydrophobicContact CD2-CG2 4.27Å; L136-V141 HydrophobicContact CB-CG2 3.66Å; L136-V141 HydrophobicContact CD1-CG2 4.27Å; L136-I144 HydrophobicContact CD1-CD1 3.77Å; L136-L166 HydrophobicContact CD1-CD1 4.07Å; L136-L166 HydrophobicContact CD1-CD2 3.97Å
137	N	88.8	Confident	87.6	Confident	80 Å²	80	75.4 Å²	75.4	43%	0.428	38%	0.382	S	S	.	.			trans	-69.9	154.8	172	72.6	62.1	0	0	0	110.3	Q139 T140 V141	N137-Q139 VanDerWaalsContact C-N 3.25Å; N137-Q139 PolarHBondContact O-N 2.97Å; N137-Q139 WeakPolarHBondContact OD1-CA 3.47Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.31Å; N137-Q139 PolarHBondContact OD1-N 3.25Å; N137-T140 PolarHBondContact ND2-OG1 2.92Å; N137-T140 PolarHBondContact O-N 3.46Å; N137-T140 PolarHBondContact OD1-N 2.89Å; N137-T140 PolarHBondContact OD1-OG1 2.85Å; N137-V141 PolarHBondContact O-N 3.2Å; N137-V141 VanDerWaalsContact O-N 3.12Å
138	P	86.1	Confident	87.8	Confident	77 Å²	77	70.8 Å²	70.8	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-59.1	-31.9	-176.7	-26.4	35.2	0	0	0	114.5	V141 N142	P138-V141 PolarHBondContact O-N 3.36Å; P138-N142 WeakPolarHBondContact O-CB 3.46Å; P138-N142 PolarHBondContact O-N 3.12Å; P138-N142 PolarHBondContact O-ND2 3.44Å
139	Q	89.4	Confident	87.9	Confident	156 Å²	156	72.2 Å²	72.2	73%	0.729	37%	0.372	S	S	*	.	H	α-helix	trans	-68.8	-40.4	179.4	-64.4	177	-36.6	0	0	111.7	N137 N142 S143	N137-Q139 VanDerWaalsContact C-N 3.25Å; N137-Q139 PolarHBondContact O-N 2.97Å; N137-Q139 WeakPolarHBondContact OD1-CA 3.47Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.31Å; N137-Q139 PolarHBondContact OD1-N 3.25Å; Q139-N142 PolarHBondContact O-N 3.48Å; Q139-S143 PolarHBondContact O-N 3.43Å; Q139-S143 PolarHBondContact O-OG 3.14Å
140	T	91.1	Very high	87.8	Confident	53 Å²	53	76.7 Å²	76.7	33%	0.325	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-46	174.2	-61.9	0	0	0	0	110.7	L136 N137 N142 S143 I144	L136-T140 HydrophobicContact CB-CG2 4.47Å; L136-T140 HydrophobicContact CD1-CG2 4.44Å; L136-T140 HydrophobicContact CD2-CG2 4.27Å; N137-T140 PolarHBondContact ND2-OG1 2.92Å; N137-T140 PolarHBondContact O-N 3.46Å; N137-T140 PolarHBondContact OD1-N 2.89Å; N137-T140 PolarHBondContact OD1-OG1 2.85Å; T140-N142 VanDerWaalsContact C-N 3.35Å; T140-N142 PolarHBondContact O-N 3.22Å; T140-S143 WeakPolarHBondContact O-CB 3.18Å; T140-S143 PolarHBondContact O-N 3.42Å; T140-S143 VanDerWaalsContact O-N 3.14Å; T140-I144 HydrophobicContact CG2-CD1 3.97Å; T140-I144 WeakPolarHBondContact O-CG1 3.38Å; T140-I144 PolarHBondContact O-N 3.39Å
141	V	89.1	Confident	87.7	Confident	4 Å²	4	78.5 Å²	78.5	2%	0.024	42%	0.415	C	S	.	.	H	α-helix	trans	-60.3	-44.8	177.1	177.8	0	0	0	0	111.3	Q126 L129 L136 N137 P138 S143 I144 A145	Q126-V141 HydrophobicContact CB-CG1 3.77Å; Q126-V141 HydrophobicContact CG-CG1 4.02Å; L129-V141 HydrophobicContact CD1-CG1 4.34Å; L129-V141 HydrophobicContact CD1-CG2 4.48Å; L136-V141 HydrophobicContact CB-CG2 3.66Å; L136-V141 HydrophobicContact CD1-CG2 4.27Å; N137-V141 PolarHBondContact O-N 3.2Å; N137-V141 VanDerWaalsContact O-N 3.12Å; P138-V141 PolarHBondContact O-N 3.36Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 3.35Å; V141-I144 PolarHBondContact O-N 3.07Å; V141-A145 WeakPolarHBondContact O-CB 3.19Å; V141-A145 PolarHBondContact O-N 3.19Å
142	N	88.4	Confident	87.6	Confident	79 Å²	79	76.3 Å²	76.3	42%	0.422	41%	0.41	S	S	.	.	H	α-helix	trans	-60.9	-36.9	176.4	-80.3	-30.8	0	0	0	112.7	P138 Q139 T140 K146	P138-N142 WeakPolarHBondContact O-CB 3.46Å; P138-N142 PolarHBondContact O-N 3.12Å; P138-N142 PolarHBondContact O-ND2 3.44Å; Q139-N142 PolarHBondContact O-N 3.48Å; T140-N142 VanDerWaalsContact C-N 3.35Å; T140-N142 PolarHBondContact O-N 3.22Å; N142-K146 WeakPolarHBondContact O-CB 3.49Å; N142-K146 WeakPolarHBondContact O-CG 3.44Å; N142-K146 PolarHBondContact O-N 3.47Å
143	S	91.5	Very high	87.8	Confident	78 Å²	78	79.4 Å²	79.4	55%	0.545	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-41.1	176.9	-56.9	0	0	0	0	111.4	Q139 T140 V141 K146 R147	Q139-S143 PolarHBondContact O-N 3.43Å; Q139-S143 PolarHBondContact O-OG 3.14Å; T140-S143 WeakPolarHBondContact O-CB 3.18Å; T140-S143 PolarHBondContact O-N 3.42Å; T140-S143 VanDerWaalsContact O-N 3.14Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 3.35Å; S143-K146 PolarHBondContact O-N 2.97Å; S143-R147 WeakPolarHBondContact O-CB 3.49Å; S143-R147 PolarHBondContact O-N 3.18Å; S143-R147 VanDerWaalsContact O-N 3.08Å
144	I	91.6	Very high	88	Confident	29 Å²	29	77.4 Å²	77.4	15%	0.149	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-49.2	174.1	-66.5	167.5	0	0	0	110.3	L125 L136 T140 V141 K146 R147 Y148 C162 L166	L125-I144 HydrophobicContact CD2-CG2 4.28Å; L136-I144 HydrophobicContact CD1-CD1 3.77Å; T140-I144 HydrophobicContact CG2-CD1 3.97Å; T140-I144 WeakPolarHBondContact O-CG1 3.38Å; T140-I144 PolarHBondContact O-N 3.39Å; V141-I144 PolarHBondContact O-N 3.07Å; I144-K146 VanDerWaalsContact C-N 3.3Å; I144-K146 PolarHBondContact O-N 2.83Å; I144-R147 WeakPolarHBondContact O-CB 3.3Å; I144-R147 PolarHBondContact O-N 3.03Å; I144-Y148 HydrophobicContact CG2-CD2 3.96Å; I144-Y148 HydrophobicContact CG2-CE2 4.22Å; I144-Y148 WeakPolarHBondContact O-CD2 3.21Å; I144-Y148 PolarHBondContact O-N 3.25Å; I144-Y148 VanDerWaalsContact O-N 3.13Å; I144-C162 WeakPolarHBondContact CG2-SG 3.39Å; I144-L166 HydrophobicContact CD1-CD1 4.44Å
145	A	88.8	Confident	88.2	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.008	41%	0.409	C	S	.	.	H	α-helix	trans	-57.1	-43.4	178.8	0	0	0	0	0	111.8	P122 L125 V141 R147 Y148 S149 I154	P122-A145 HydrophobicContact CB-CB 3.81Å; P122-A145 HydrophobicContact CG-CB 4.2Å; L125-A145 HydrophobicContact CD2-CB 3.84Å; V141-A145 WeakPolarHBondContact O-CB 3.19Å; V141-A145 PolarHBondContact O-N 3.19Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.2Å; A145-Y148 PolarHBondContact O-N 3.24Å; A145-S149 WeakPolarHBondContact O-CB 3.45Å; A145-S149 PolarHBondContact O-N 3.2Å; A145-S149 PolarHBondContact O-OG 3.04Å; A145-I154 HydrophobicContact CB-CD1 4.35Å
146	K	89.9	Confident	88.2	Confident	168 Å²	168	69 Å²	69	73%	0.73	37%	0.374	S	S	*	.	H	α-helix	trans	-64.5	-33.3	175.6	-75.4	178.1	-180	-176.2	0	113.1	N142 S143 I144	N142-K146 WeakPolarHBondContact O-CB 3.49Å; N142-K146 WeakPolarHBondContact O-CG 3.44Å; N142-K146 PolarHBondContact O-N 3.47Å; S143-K146 PolarHBondContact O-N 2.97Å; I144-K146 VanDerWaalsContact C-N 3.3Å; I144-K146 PolarHBondContact O-N 2.83Å
147	R	91	Very high	88.2	Confident	180 Å²	180	66.5 Å²	66.5	68%	0.679	36%	0.361	S	S	*	.	H	α-helix	trans	-71.9	-31.4	179.8	176.3	58.2	-175.9	77.1	1.2	113.2	S143 I144 A145	S143-R147 WeakPolarHBondContact O-CB 3.49Å; S143-R147 PolarHBondContact O-N 3.18Å; S143-R147 VanDerWaalsContact O-N 3.08Å; I144-R147 WeakPolarHBondContact O-CB 3.3Å; I144-R147 PolarHBondContact O-N 3.03Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.2Å
148	Y	89	Confident	88.3	Confident	33 Å²	33	64.5 Å²	64.5	13%	0.129	35%	0.351	C	S	.	.	H	α-helix	trans	-106.9	-4.7	-176.5	-72.5	-83.1	0	0	0	113.9	I144 A145 D158 A161 C162	I144-Y148 HydrophobicContact CG2-CD2 3.96Å; I144-Y148 HydrophobicContact CG2-CE2 4.22Å; I144-Y148 WeakPolarHBondContact O-CD2 3.21Å; I144-Y148 PolarHBondContact O-N 3.25Å; I144-Y148 VanDerWaalsContact O-N 3.13Å; A145-Y148 PolarHBondContact O-N 3.24Å; Y148-D158 HydrophobicContact CD1-CB 4.31Å; Y148-D158 WeakPolarHBondContact CD1-O 3.47Å; Y148-A161 HydrophobicContact CE1-CB 4.17Å; Y148-C162 HydrophobicContact CD1-CB 4.03Å; Y148-C162 HydrophobicContact CD2-CB 3.81Å; Y148-C162 HydrophobicContact CE1-CB 4.03Å; Y148-C162 HydrophobicContact CE2-CB 3.8Å; Y148-C162 HydrophobicContact CG-CB 3.92Å
149	S	88.5	Confident	88.4	Confident	31 Å²	31	60.8 Å²	60.8	22%	0.217	33%	0.327	C	S	.	.			trans	-87.4	136.4	176.6	55.2	0	0	0	0	111.8	A145 K153	A145-S149 WeakPolarHBondContact O-CB 3.45Å; A145-S149 PolarHBondContact O-N 3.2Å; A145-S149 PolarHBondContact O-OG 3.04Å; S149-K153 CarbonylContact C-O 3.57Å; S149-K153 WeakPolarHBondContact CA-O 3.41Å
150	T	84	Confident	88.4	Confident	94 Å²	94	53.4 Å²	53.4	58%	0.577	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-109.3	119	165.4	-59.8	0	0	0	0	107.3	G152 K153	T150-G152 PolarHBondContact O-N 3.26Å; T150-K153 PolarHBondContact N-O 3.48Å; T150-K153 PolarHBondContact O-N 3.08Å; T150-K153 VanDerWaalsContact O-N 3.11Å; T150-K153 VanDerWaalsContact O-O 3.14Å
151	S	84.1	Confident	88.4	Confident	127 Å²	127	51.1 Å²	51.1	89%	0.888	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	35.9	-176	-56.3	0	0	0	0	114	K153	S151-K153 VanDerWaalsContact C-N 3.29Å; S151-K153 PolarHBondContact O-N 3.23Å
152	G	81.3	Confident	88.5	Confident	42 Å²	42	51.1 Å²	51.1	43%	0.433	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	4.3	179	0	0	0	0	0	115	T150	T150-G152 PolarHBondContact O-N 3.26Å
153	K	85.3	Confident	88.5	Confident	106 Å²	106	47.3 Å²	47.3	46%	0.461	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-121	137.6	-179.8	-73.7	-176.4	165.9	-128.9	0	111	T119 S149 T150 S151	T119-K153 HydrophobicContact CG2-CB 3.9Å; T119-K153 HydrophobicContact CG2-CD 4.09Å; T119-K153 HydrophobicContact CG2-CG 4.45Å; T119-K153 PolarHBondContact OG1-NZ 3.39Å; S149-K153 CarbonylContact C-O 3.57Å; S149-K153 WeakPolarHBondContact CA-O 3.41Å; T150-K153 PolarHBondContact N-O 3.48Å; T150-K153 PolarHBondContact O-N 3.08Å; T150-K153 VanDerWaalsContact O-N 3.11Å; T150-K153 VanDerWaalsContact O-O 3.14Å; S151-K153 VanDerWaalsContact C-N 3.29Å; S151-K153 PolarHBondContact O-N 3.23Å
154	I	89.7	Confident	88.4	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.1	178.7	-56.1	176	0	0	0	107.9	T119 V120 L125 A145 D158	T119-I154 CarbonylContact C-O 3.5Å; T119-I154 WeakPolarHBondContact CA-O 3.33Å; V120-I154 PolarHBondContact N-O 2.88Å; V120-I154 WeakPolarHBondContact O-CB 3.3Å; V120-I154 PolarHBondContact O-N 3.01Å; L125-I154 HydrophobicContact CB-CD1 4.22Å; L125-I154 HydrophobicContact CD2-CD1 3.68Å; L125-I154 HydrophobicContact CG-CD1 4.35Å; A145-I154 HydrophobicContact CB-CD1 4.35Å; I154-D158 HydrophobicContact CG2-CB 3.75Å
155	T	89.3	Confident	88.4	Confident	45 Å²	45	44.9 Å²	44.9	28%	0.276	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	164.7	179.5	70.5	0	0	0	0	111.3	D157 D158 Y159	T155-D157 VanDerWaalsContact C-N 3.26Å; T155-D157 PolarHBondContact O-N 2.81Å; T155-D158 PolarHBondContact O-N 3.37Å; T155-D158 PolarHBondContact OG1-N 2.98Å; T155-D158 PolarHBondContact OG1-OD2 3.47Å; T155-Y159 WeakPolarHBondContact O-CB 3.23Å; T155-Y159 PolarHBondContact O-N 3.17Å
156	F	87.4	Confident	88.5	Confident	5 Å²	5	46 Å²	46	2%	0.022	24%	0.243	C	C	.	.	H	α-helix	trans	-54.4	-43	173.9	178.3	-113.1	0	0	0	112.7	A64 Y67 F70 R106 F109 Y159 I160	A64-F156 HydrophobicContact CB-CE1 4.35Å; Y67-F156 HydrophobicContact CD1-CB 4.48Å; Y67-F156 HydrophobicContact CD2-CB 4.14Å; Y67-F156 HydrophobicContact CD2-CD1 4.09Å; Y67-F156 HydrophobicContact CD2-CD2 4.22Å; Y67-F156 AromaticContact CD2-CG 3.87Å; Y67-F156 HydrophobicContact CD2-CG 3.87Å; Y67-F156 HydrophobicContact CG-CB 3.91Å; Y67-F156 HydrophobicContact CG-CD1 4.33Å; Y67-F156 HydrophobicContact CG-CG 4.11Å; F70-F156 HydrophobicContact CE1-CD1 4.12Å; F70-F156 AromaticContact CE1-CE1 3.64Å; F70-F156 HydrophobicContact CE1-CE1 3.64Å; F70-F156 HydrophobicContact CE1-CZ 4.35Å; F70-F156 HydrophobicContact CE2-CE1 4.49Å; F70-F156 HydrophobicContact CZ-CD1 4.37Å; F70-F156 AromaticContact CZ-CE1 3.49Å; F70-F156 HydrophobicContact CZ-CE1 3.49Å; F70-F156 VanDerWaalsContact CZ-CE1 3.49Å; F70-F156 HydrophobicContact CZ-CZ 4.06Å; R106-F156 HydrophobicContact CB-CE2 4.26Å; R106-F156 HydrophobicContact CB-CZ 4.21Å; R106-F156 HydrophobicContact CG-CE2 4.17Å; R106-F156 HydrophobicContact CG-CZ 4.11Å; F109-F156 HydrophobicContact CB-CD2 4.09Å; F109-F156 HydrophobicContact CB-CE2 4.14Å; F109-F156 AromaticContact CD1-CD2 3.7Å; F109-F156 HydrophobicContact CD1-CD2 3.7Å; F109-F156 HydrophobicContact CD1-CE2 4.41Å; F109-F156 AromaticContact CD2-CD2 3.89Å; F109-F156 HydrophobicContact CD2-CD2 3.89Å; F109-F156 HydrophobicContact CE1-CB 4.1Å; F109-F156 HydrophobicContact CE1-CD2 4.04Å; F109-F156 HydrophobicContact CE2-CB 4.2Å; F109-F156 HydrophobicContact CE2-CD2 4.18Å; F109-F156 AromaticContact CG-CD2 3.62Å; F109-F156 HydrophobicContact CG-CD2 3.62Å; F109-F156 HydrophobicContact CG-CE2 4.17Å; F109-F156 HydrophobicContact CZ-CB 3.86Å; F109-F156 HydrophobicContact CZ-CD2 4.26Å; F156-Y159 PolarHBondContact O-N 3.11Å; F156-I160 HydrophobicContact CD2-CG1 4.15Å; F156-I160 HydrophobicContact CE1-CG1 4.16Å; F156-I160 HydrophobicContact CE2-CD1 3.87Å; F156-I160 HydrophobicContact CE2-CG1 3.69Å; F156-I160 HydrophobicContact CZ-CD1 4Å; F156-I160 HydrophobicContact CZ-CG1 3.7Å; F156-I160 VanDerWaalsContact O-CG1 3.29Å; F156-I160 WeakPolarHBondContact O-CG1 3.35Å; F156-I160 PolarHBondContact O-N 3.47Å
157	D	88.2	Confident	88.4	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-48.6	177.9	-175	28.6	0	0	0	111.4	F70 N71 T74 T155 Y159 I160 A161	F70-D157 WeakPolarHBondContact CD1-OD1 2.94Å; N71-D157 WeakPolarHBondContact CB-OD2 3.28Å; N71-D157 PolarHBondContact N-OD1 3.11Å; N71-D157 PolarHBondContact N-OD2 3.08Å; N71-D157 PolarHBondContact ND2-OD2 3.38Å; T74-D157 VanDerWaalsContact CB-OD1 3.32Å; T74-D157 WeakPolarHBondContact CB-OD1 3.02Å; T74-D157 PolarHBondContact OG1-OD1 3.36Å; T155-D157 VanDerWaalsContact C-N 3.26Å; T155-D157 PolarHBondContact O-N 2.81Å; D157-Y159 VanDerWaalsContact C-N 3.33Å; D157-Y159 PolarHBondContact O-N 3.12Å; D157-I160 PolarHBondContact O-N 3.36Å; D157-A161 WeakPolarHBondContact O-CB 3.49Å; D157-A161 PolarHBondContact O-N 2.7Å
158	D	90.1	Very high	88.2	Confident	38 Å²	38	33.1 Å²	33.1	20%	0.203	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-37.3	177.3	-68.1	-55.3	0	0	0	112.7	Y148 I154 T155 C162	Y148-D158 HydrophobicContact CD1-CB 4.31Å; Y148-D158 WeakPolarHBondContact CD1-O 3.47Å; I154-D158 HydrophobicContact CG2-CB 3.75Å; T155-D158 PolarHBondContact O-N 3.37Å; T155-D158 PolarHBondContact OG1-N 2.98Å; T155-D158 PolarHBondContact OG1-OD2 3.47Å; D158-C162 VanDerWaalsContact O-CB 3.25Å; D158-C162 WeakPolarHBondContact O-CB 3.37Å; D158-C162 PolarHBondContact O-N 2.84Å
159	Y	89.5	Confident	88.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-47.4	175.9	173.4	-92.4	0	0	0	111.1	F109 L125 A128 M132 T155 F156 D157 C162 C163	F109-Y159 HydrophobicContact CB-CD1 4.22Å; F109-Y159 HydrophobicContact CB-CE1 3.92Å; F109-Y159 AromaticContact CD2-CD1 3.54Å; F109-Y159 HydrophobicContact CD2-CD1 3.54Å; F109-Y159 HydrophobicContact CD2-CD2 4.08Å; F109-Y159 AromaticContact CD2-CE1 3.96Å; F109-Y159 HydrophobicContact CD2-CE1 3.96Å; F109-Y159 HydrophobicContact CD2-CE2 4.45Å; F109-Y159 AromaticContact CD2-CG 3.58Å; F109-Y159 HydrophobicContact CD2-CG 3.58Å; F109-Y159 HydrophobicContact CE2-CD1 4.38Å; F109-Y159 HydrophobicContact CE2-CG 4.06Å; F109-Y159 HydrophobicContact CG-CD1 4.32Å; F109-Y159 HydrophobicContact CG-CE1 4.45Å; L125-Y159 HydrophobicContact CD1-CD2 3.82Å; L125-Y159 HydrophobicContact CD1-CE2 3.97Å; A128-Y159 HydrophobicContact CB-CE2 3.91Å; M132-Y159 HydrophobicContact CE-CE1 4.17Å; M132-Y159 WeakPolarHBondContact CE-OH 3.45Å; T155-Y159 WeakPolarHBondContact O-CB 3.23Å; T155-Y159 PolarHBondContact O-N 3.17Å; F156-Y159 PolarHBondContact O-N 3.11Å; D157-Y159 VanDerWaalsContact C-N 3.33Å; D157-Y159 PolarHBondContact O-N 3.12Å; Y159-C162 WeakPolarHBondContact O-CB 3.49Å; Y159-C162 PolarHBondContact O-N 2.89Å; Y159-C163 PolarHBondContact O-N 3.09Å; Y159-C163 PolarHBondContact O-SG 3.18Å; Y159-C163 VanDerWaalsContact O-SG 3.37Å
160	I	89.5	Confident	88.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-45.7	177.4	-66.5	-65.1	0	0	0	110.3	F70 T74 M78 L102 W105 F156 D157 C162 C163 V164	F70-I160 HydrophobicContact CE1-CB 3.9Å; F70-I160 HydrophobicContact CE1-CG1 3.89Å; F70-I160 HydrophobicContact CE1-CG2 3.84Å; F70-I160 HydrophobicContact CZ-CG1 4.38Å; F70-I160 HydrophobicContact CZ-CG2 4.4Å; T74-I160 HydrophobicContact CG2-CG2 4.13Å; M78-I160 HydrophobicContact CE-CG2 3.4Å; L102-I160 HydrophobicContact CD2-CG2 3.77Å; W105-I160 HydrophobicContact CB-CD1 3.58Å; W105-I160 HydrophobicContact CE3-CD1 4.21Å; W105-I160 HydrophobicContact CG-CD1 4.5Å; F156-I160 HydrophobicContact CD2-CG1 4.15Å; F156-I160 HydrophobicContact CE1-CG1 4.16Å; F156-I160 HydrophobicContact CE2-CD1 3.87Å; F156-I160 HydrophobicContact CE2-CG1 3.69Å; F156-I160 HydrophobicContact CZ-CD1 4Å; F156-I160 HydrophobicContact CZ-CG1 3.7Å; F156-I160 VanDerWaalsContact O-CG1 3.29Å; F156-I160 WeakPolarHBondContact O-CG1 3.35Å; F156-I160 PolarHBondContact O-N 3.47Å; D157-I160 PolarHBondContact O-N 3.36Å; I160-C162 VanDerWaalsContact C-N 3.28Å; I160-C162 PolarHBondContact O-N 3.43Å; I160-C163 PolarHBondContact O-N 2.92Å; I160-C163 VanDerWaalsContact O-N 3.16Å; I160-V164 HydrophobicContact CG2-CG2 4.07Å; I160-V164 WeakPolarHBondContact O-CB 3.34Å; I160-V164 WeakPolarHBondContact O-CG2 3.42Å; I160-V164 PolarHBondContact O-N 3.18Å
161	A	89.8	Confident	88.6	Confident	6 Å²	6	32.5 Å²	32.5	5%	0.05	19%	0.185	C	C	.	.	H	α-helix	trans	-55.5	-44.1	175.3	0	0	0	0	0	111.9	T74 L77 Y148 D157 K165	T74-A161 HydrophobicContact CG2-CB 4.03Å; L77-A161 HydrophobicContact CD1-CB 3.89Å; Y148-A161 HydrophobicContact CE1-CB 4.17Å; D157-A161 WeakPolarHBondContact O-CB 3.49Å; D157-A161 PolarHBondContact O-N 2.7Å; A161-K165 WeakPolarHBondContact O-CB 3.3Å; A161-K165 PolarHBondContact O-N 3.49Å
162	C	91.2	Very high	88.9	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-48.9	175.4	177.1	0	0	0	0	112.2	I144 Y148 D158 Y159 I160 K165 L166	I144-C162 WeakPolarHBondContact CG2-SG 3.39Å; Y148-C162 HydrophobicContact CD1-CB 4.03Å; Y148-C162 HydrophobicContact CD2-CB 3.81Å; Y148-C162 HydrophobicContact CE1-CB 4.03Å; Y148-C162 HydrophobicContact CE2-CB 3.8Å; Y148-C162 HydrophobicContact CG-CB 3.92Å; D158-C162 VanDerWaalsContact O-CB 3.25Å; D158-C162 WeakPolarHBondContact O-CB 3.37Å; D158-C162 PolarHBondContact O-N 2.84Å; Y159-C162 WeakPolarHBondContact O-CB 3.49Å; Y159-C162 PolarHBondContact O-N 2.89Å; I160-C162 VanDerWaalsContact C-N 3.28Å; I160-C162 PolarHBondContact O-N 3.43Å; C162-K165 PolarHBondContact O-N 3.13Å; C162-L166 VanDerWaalsContact O-CB 3.23Å; C162-L166 WeakPolarHBondContact O-CB 3.33Å; C162-L166 PolarHBondContact O-N 3.24Å
163	C	89.8	Confident	89.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-43.1	179.6	-72.4	0	0	0	0	112.5	W105 Y159 I160 R167	W105-C163 HydrophobicContact CD2-CB 3.93Å; W105-C163 HydrophobicContact CE3-CB 4.12Å; W105-C163 HydrophobicContact CG-CB 4.47Å; W105-C163 HydrophobicContact CH2-CB 4.25Å; W105-C163 HydrophobicContact CZ2-CB 4.04Å; W105-C163 HydrophobicContact CZ3-CB 4.31Å; Y159-C163 PolarHBondContact O-N 3.09Å; Y159-C163 PolarHBondContact O-SG 3.18Å; Y159-C163 VanDerWaalsContact O-SG 3.37Å; I160-C163 PolarHBondContact O-N 2.92Å; I160-C163 VanDerWaalsContact O-N 3.16Å; C163-R167 WeakPolarHBondContact O-CB 3.4Å; C163-R167 PolarHBondContact O-N 3.38Å
164	V	89.1	Confident	89.6	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-54.4	175.9	174.2	0	0	0	0	110.2	L77 M78 M81 W105 I160 L166 R167 A168	L77-V164 HydrophobicContact CB-CB 4.38Å; L77-V164 HydrophobicContact CB-CG1 3.63Å; L77-V164 WeakPolarHBondContact O-CG1 3.47Å; M78-V164 HydrophobicContact CG-CG1 4.49Å; M78-V164 HydrophobicContact CG-CG2 3.88Å; M81-V164 HydrophobicContact CB-CG1 3.91Å; M81-V164 HydrophobicContact CG-CG1 4.4Å; M81-V164 HydrophobicContact SD-CB 4.46Å; M81-V164 HydrophobicContact SD-CG1 4.02Å; W105-V164 HydrophobicContact CE3-CG2 4.36Å; W105-V164 HydrophobicContact CH2-CB 4.45Å; W105-V164 HydrophobicContact CH2-CG2 3.96Å; W105-V164 HydrophobicContact CZ3-CB 4.34Å; W105-V164 HydrophobicContact CZ3-CG2 3.41Å; W105-V164 VanDerWaalsContact CZ3-CG2 3.41Å; I160-V164 HydrophobicContact CG2-CG2 4.07Å; I160-V164 WeakPolarHBondContact O-CB 3.34Å; I160-V164 WeakPolarHBondContact O-CG2 3.42Å; I160-V164 PolarHBondContact O-N 3.18Å; V164-L166 VanDerWaalsContact C-N 3.34Å; V164-L166 PolarHBondContact O-N 2.94Å; V164-R167 PolarHBondContact O-N 2.96Å; V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 3.5Å
165	K	90.6	Very high	89.6	Confident	55 Å²	55	36.3 Å²	36.3	24%	0.239	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-41.4	-177.6	-171.6	156	-168.2	112.2	0	111.9	L77 A161 C162 R167 A168 L169 V198	L77-K165 HydrophobicContact CD2-CD 4.36Å; A161-K165 WeakPolarHBondContact O-CB 3.3Å; A161-K165 PolarHBondContact O-N 3.49Å; C162-K165 PolarHBondContact O-N 3.13Å; K165-R167 VanDerWaalsContact C-N 3.34Å; K165-R167 PolarHBondContact O-N 2.96Å; K165-A168 PolarHBondContact O-N 2.82Å; K165-L169 HydrophobicContact CG-CD1 4Å; K165-L169 HydrophobicContact CG-CG 4.48Å; K165-L169 WeakPolarHBondContact O-CB 3.48Å; K165-L169 VanDerWaalsContact O-CG 3.3Å; K165-L169 WeakPolarHBondContact O-CG 3.49Å; K165-L169 PolarHBondContact O-N 2.68Å; K165-V198 HydrophobicContact CG-CG1 4.08Å; K165-V198 PolarHBondContact NZ-O 3.24Å
166	L	91.2	Very high	89.7	Confident	23 Å²	23	38.4 Å²	38.4	12%	0.12	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-41.4	177.6	-171.3	67.7	0	0	0	111.5	L129 F134 L136 I144 C162 V164 T170	L129-L166 HydrophobicContact CD1-CD2 4.38Å; L129-L166 HydrophobicContact CD2-CD2 3.67Å; F134-L166 HydrophobicContact CB-CD2 4.16Å; F134-L166 HydrophobicContact CD1-CD2 3.61Å; F134-L166 HydrophobicContact CD1-CG 3.87Å; F134-L166 HydrophobicContact CD2-CD2 3.58Å; F134-L166 HydrophobicContact CE1-CB 4.46Å; F134-L166 HydrophobicContact CE1-CD2 3.78Å; F134-L166 HydrophobicContact CE1-CG 3.71Å; F134-L166 HydrophobicContact CE2-CD2 3.75Å; F134-L166 HydrophobicContact CE2-CG 4.4Å; F134-L166 HydrophobicContact CG-CD2 3.51Å; F134-L166 HydrophobicContact CG-CG 4.29Å; F134-L166 HydrophobicContact CZ-CB 4.36Å; F134-L166 HydrophobicContact CZ-CD2 3.85Å; F134-L166 HydrophobicContact CZ-CG 3.99Å; L136-L166 HydrophobicContact CD1-CD1 4.07Å; L136-L166 HydrophobicContact CD1-CD2 3.97Å; I144-L166 HydrophobicContact CD1-CD1 4.44Å; C162-L166 VanDerWaalsContact O-CB 3.23Å; C162-L166 WeakPolarHBondContact O-CB 3.33Å; C162-L166 PolarHBondContact O-N 3.24Å; V164-L166 VanDerWaalsContact C-N 3.34Å; V164-L166 PolarHBondContact O-N 2.94Å; L166-T170 VanDerWaalsContact O-CB 3.25Å; L166-T170 WeakPolarHBondContact O-CB 3.46Å; L166-T170 PolarHBondContact O-N 3.22Å; L166-T170 PolarHBondContact O-OG1 3.37Å
167	R	88.1	Confident	90.1	Very high	73 Å²	73	38.4 Å²	38.4	28%	0.275	17%	0.172	S	C	.	.	H	α-helix	trans	-65.6	-49.7	176.2	179.9	166.3	174.8	-169.9	-2.3	111.8	M81 W105 F134 C163 V164 K165 L169 T170 D171	M81-R167 HydrophobicContact CE-CG 4.2Å; M81-R167 VanDerWaalsContact CE-CZ 3.46Å; M81-R167 HydrophobicContact SD-CB 4.08Å; M81-R167 HydrophobicContact SD-CG 4.03Å; W105-R167 HydrophobicContact CH2-CB 4.47Å; W105-R167 HydrophobicContact CZ2-CB 4.32Å; F134-R167 HydrophobicContact CZ-CB 4.33Å; C163-R167 WeakPolarHBondContact O-CB 3.4Å; C163-R167 PolarHBondContact O-N 3.38Å; V164-R167 PolarHBondContact O-N 2.96Å; K165-R167 VanDerWaalsContact C-N 3.34Å; K165-R167 PolarHBondContact O-N 2.96Å; R167-L169 VanDerWaalsContact C-N 3.34Å; R167-L169 PolarHBondContact O-N 3.37Å; R167-T170 PolarHBondContact O-N 2.98Å; R167-T170 VanDerWaalsContact O-N 3.13Å; R167-D171 IonicContact NE-OD2 3.73Å; R167-D171 WeakPolarHBondContact O-CB 3.22Å; R167-D171 PolarHBondContact O-N 3.37Å
168	A	87.4	Confident	90.2	Very high	5 Å²	5	43.4 Å²	43.4	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-44.3	179.8	0	0	0	0	0	112.3	M81 V164 K165 D171 S172 V198	M81-A168 HydrophobicContact CB-CB 4.2Å; M81-A168 HydrophobicContact CG-CB 4.06Å; V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 3.5Å; K165-A168 PolarHBondContact O-N 2.82Å; A168-D171 PolarHBondContact O-N 3.14Å; A168-S172 WeakPolarHBondContact O-CB 3.03Å; A168-S172 PolarHBondContact O-N 3.16Å; A168-S172 PolarHBondContact O-OG 2.89Å; A168-V198 HydrophobicContact CB-CG1 3.47Å; A168-V198 VanDerWaalsContact CB-CG1 3.47Å; A168-V198 HydrophobicContact CB-CG2 4.22Å
169	L	91.2	Very high	90.4	Very high	57 Å²	57	45 Å²	45	30%	0.298	23%	0.226	S	C	.	.	H	α-helix	trans	-67.8	-38.5	175.6	-69.1	172.9	0	0	0	112.2	K165 R167 S172 F173 V195 V198	K165-L169 HydrophobicContact CG-CD1 4Å; K165-L169 HydrophobicContact CG-CG 4.48Å; K165-L169 WeakPolarHBondContact O-CB 3.48Å; K165-L169 VanDerWaalsContact O-CG 3.3Å; K165-L169 WeakPolarHBondContact O-CG 3.49Å; K165-L169 PolarHBondContact O-N 2.68Å; R167-L169 VanDerWaalsContact C-N 3.34Å; R167-L169 PolarHBondContact O-N 3.37Å; L169-S172 PolarHBondContact O-N 2.97Å; L169-F173 WeakPolarHBondContact O-CB 3.47Å; L169-F173 PolarHBondContact O-N 3.46Å; L169-V195 HydrophobicContact CD2-CG2 4.39Å; L169-V198 HydrophobicContact CD2-CB 4.36Å; L169-V198 HydrophobicContact CD2-CG1 4.39Å; L169-V198 HydrophobicContact CD2-CG2 4.28Å; L169-V198 HydrophobicContact CG-CG1 4.24Å
170	T	90.8	Very high	90.4	Very high	44 Å²	44	50.9 Å²	50.9	27%	0.27	25%	0.253	S	S	.	.	H	α-helix	trans	-64.3	-44.6	176.2	-61.2	0	0	0	0	111.2	L166 R167 F173 R174	L166-T170 VanDerWaalsContact O-CB 3.25Å; L166-T170 WeakPolarHBondContact O-CB 3.46Å; L166-T170 PolarHBondContact O-N 3.22Å; L166-T170 PolarHBondContact O-OG1 3.37Å; R167-T170 PolarHBondContact O-N 2.98Å; R167-T170 VanDerWaalsContact O-N 3.13Å; T170-F173 PolarHBondContact O-N 2.76Å; T170-R174 HydrophobicContact CG2-CG 4.43Å; T170-R174 WeakPolarHBondContact O-CB 3.47Å; T170-R174 VanDerWaalsContact O-CG 3.3Å; T170-R174 WeakPolarHBondContact O-CG 3.17Å; T170-R174 PolarHBondContact O-N 3.44Å
171	D	87.7	Confident	90.6	Very high	45 Å²	45	55.7 Å²	55.7	24%	0.241	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-41.9	178.2	-71.5	-18.4	0	0	0	110.5	R167 A168 F173 R174 R175	R167-D171 IonicContact NE-OD2 3.73Å; R167-D171 WeakPolarHBondContact O-CB 3.22Å; R167-D171 PolarHBondContact O-N 3.37Å; A168-D171 PolarHBondContact O-N 3.14Å; D171-F173 VanDerWaalsContact C-N 3.35Å; D171-F173 PolarHBondContact O-N 3.01Å; D171-R174 PolarHBondContact O-N 3.01Å; D171-R175 VanDerWaalsContact O-CG 3.31Å; D171-R175 WeakPolarHBondContact O-CG 3.49Å; D171-R175 PolarHBondContact O-N 3.36Å
172	S	89.1	Confident	90.7	Very high	18 Å²	18	57 Å²	57	13%	0.126	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-38.8	175.4	-62.1	0	0	0	0	113	A168 L169 R176 C194	A168-S172 WeakPolarHBondContact O-CB 3.03Å; A168-S172 PolarHBondContact O-N 3.16Å; A168-S172 PolarHBondContact O-OG 2.89Å; L169-S172 PolarHBondContact O-N 2.97Å; S172-R176 PolarHBondContact O-NH1 3.08Å; S172-C194 VanDerWaalsContact CB-SG 3.55Å
173	F	92.4	Very high	90.8	Very high	62 Å²	62	62.7 Å²	62.7	27%	0.272	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-49.6	173.1	-171	-75.3	0	0	0	110.9	Y3 L169 T170 D171 R175 R176 D177 V184	Y3-F173 WeakPolarHBondContact OH-CD1 3.34Å; Y3-F173 WeakPolarHBondContact OH-CE1 3.36Å; L169-F173 WeakPolarHBondContact O-CB 3.47Å; L169-F173 PolarHBondContact O-N 3.46Å; T170-F173 PolarHBondContact O-N 2.76Å; D171-F173 VanDerWaalsContact C-N 3.35Å; D171-F173 PolarHBondContact O-N 3.01Å; F173-R175 VanDerWaalsContact C-N 3.34Å; F173-R175 PolarHBondContact O-N 2.99Å; F173-R176 PolarHBondContact O-N 3.28Å; F173-R176 VanDerWaalsContact O-N 3.08Å; F173-D177 HydrophobicContact CD1-CB 4.15Å; F173-D177 HydrophobicContact CE1-CB 3.92Å; F173-D177 PolarHBondContact O-N 3.19Å; F173-V184 HydrophobicContact CD1-CG2 3.91Å; F173-V184 HydrophobicContact CD2-CG2 4.15Å; F173-V184 HydrophobicContact CE1-CG2 3.62Å; F173-V184 HydrophobicContact CE2-CB 4.13Å; F173-V184 HydrophobicContact CE2-CG2 3.94Å; F173-V184 HydrophobicContact CG-CG2 4.16Å; F173-V184 HydrophobicContact CZ-CB 4.19Å; F173-V184 HydrophobicContact CZ-CG2 3.67Å
174	R	90.5	Very high	91.1	Very high	123 Å²	123	64 Å²	64	46%	0.464	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-35.2	-177.7	-73	-177.2	76.2	172.5	5.8	113.1	Y3 T170 D171 R176 D177	Y3-R174 HydrophobicContact CE1-CG 4.49Å; T170-R174 HydrophobicContact CG2-CG 4.43Å; T170-R174 WeakPolarHBondContact O-CB 3.47Å; T170-R174 VanDerWaalsContact O-CG 3.3Å; T170-R174 WeakPolarHBondContact O-CG 3.17Å; T170-R174 PolarHBondContact O-N 3.44Å; D171-R174 PolarHBondContact O-N 3.01Å; R174-R176 PolarHBondContact O-N 2.85Å; R174-D177 PolarHBondContact O-N 2.91Å
175	R	89.4	Confident	91.3	Very high	152 Å²	152	71.8 Å²	71.8	57%	0.574	37%	0.367	S	S	*	.	H	α-helix	trans	-60.1	-34.2	173.9	-73.7	178	-154.3	177	8.5	111.9	D171 F173	D171-R175 VanDerWaalsContact O-CG 3.31Å; D171-R175 WeakPolarHBondContact O-CG 3.49Å; D171-R175 PolarHBondContact O-N 3.36Å; F173-R175 VanDerWaalsContact C-N 3.34Å; F173-R175 PolarHBondContact O-N 2.99Å
176	R	91.7	Very high	91.5	Very high	89 Å²	89	72.6 Å²	72.6	34%	0.336	37%	0.37	S	S	.	.	H	α-helix	trans	-88.9	-26.8	179.5	-67.8	174	173.4	71.6	-0.9	113.2	S172 F173 R174 S178 V184 F186 D190	S172-R176 PolarHBondContact O-NH1 3.08Å; F173-R176 PolarHBondContact O-N 3.28Å; F173-R176 VanDerWaalsContact O-N 3.08Å; R174-R176 PolarHBondContact O-N 2.85Å; R176-S178 VanDerWaalsContact C-N 3.25Å; R176-S178 PolarHBondContact O-N 3.36Å; R176-V184 HydrophobicContact CB-CB 4.44Å; R176-V184 HydrophobicContact CB-CG1 3.52Å; R176-V184 HydrophobicContact CB-CG2 3.98Å; R176-V184 HydrophobicContact CG-CG1 4.39Å; R176-F186 VanDerWaalsContact CD-CE1 3.43Å; R176-D190 IonicContact CZ-OD1 3.36Å; R176-D190 IonicContact CZ-OD2 3.5Å; R176-D190 IonicContact NE-OD1 2.99Å; R176-D190 PolarHBondContact NE-OD1 3.08Å; R176-D190 IonicContact NE-OD2 3.49Å; R176-D190 PolarHBondContact NE-OD2 3.36Å; R176-D190 IonicContact NH2-OD1 3.62Å; R176-D190 PolarHBondContact NH2-OD1 3.11Å; R176-D190 IonicContact NH2-OD2 2.7Å
177	D	94.2	Very high	91.7	Very high	6 Å²	6	75 Å²	75	3%	0.032	39%	0.389	C	S	.	.			trans	-82.2	63.6	175.2	-170.1	12.3	0	0	0	112.3	Y3 F173 R174 A179 Q180 Q181 G182 V184	Y3-D177 VanDerWaalsContact CE2-OD2 3.25Å; Y3-D177 WeakPolarHBondContact CE2-OD2 3.36Å; Y3-D177 PolarHBondContact OH-OD2 3.46Å; Y3-D177 VanDerWaalsContact OH-OD2 3.08Å; F173-D177 HydrophobicContact CD1-CB 4.15Å; F173-D177 HydrophobicContact CE1-CB 3.92Å; F173-D177 PolarHBondContact O-N 3.19Å; R174-D177 PolarHBondContact O-N 2.91Å; D177-A179 PolarHBondContact O-N 2.94Å; D177-Q180 PolarHBondContact O-N 3.39Å; D177-Q180 PolarHBondContact OD1-N 3.29Å; D177-Q180 WeakPolarHBondContact OD2-CA 3.28Å; D177-Q181 WeakPolarHBondContact OD1-CG 3.25Å; D177-Q181 PolarHBondContact OD1-N 2.89Å; D177-Q181 PolarHBondContact OD2-N 3.33Å; D177-Q181 VanDerWaalsContact OD2-N 3.11Å; D177-G182 WeakPolarHBondContact OD2-CA 3.38Å; D177-G182 PolarHBondContact OD2-N 3.41Å; D177-V184 HydrophobicContact CB-CG2 3.68Å
178	S	91.2	Very high	92	Very high	111 Å²	111	79.9 Å²	79.9	78%	0.776	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25	179.9	-46.6	0	0	0	0	113	R176	R176-S178 VanDerWaalsContact C-N 3.25Å; R176-S178 PolarHBondContact O-N 3.36Å
179	A	93.1	Very high	92.4	Very high	73 Å²	73	85.3 Å²	85.3	60%	0.603	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.3	178.2	0	0	0	0	0	113.5	D177 Q181	D177-A179 PolarHBondContact O-N 2.94Å; A179-Q181 HydrophobicContact CB-CB 4.45Å; A179-Q181 HydrophobicContact CB-CG 4.25Å; A179-Q181 PolarHBondContact O-N 2.97Å
180	Q	91.5	Very high	92.4	Very high	122 Å²	122	84.7 Å²	84.7	57%	0.57	44%	0.435	S	S	*	.			trans	50.8	36.5	-176	-58.9	-173.5	-12.6	0	0	113.2	Y3 D177	Y3-Q180 HydrophobicContact CD2-CB 4.25Å; Y3-Q180 HydrophobicContact CE2-CB 4.44Å; D177-Q180 PolarHBondContact O-N 3.39Å; D177-Q180 PolarHBondContact OD1-N 3.29Å; D177-Q180 WeakPolarHBondContact OD2-CA 3.28Å
181	Q	93.7	Very high	92.5	Very high	101 Å²	101	87.3 Å²	87.3	47%	0.472	44%	0.442	S	S	.	.	S	Bend	trans	-88	-13.7	-175.7	61.2	-179.2	5.9	0	0	112.5	D177 A179 M183	D177-Q181 WeakPolarHBondContact OD1-CG 3.25Å; D177-Q181 PolarHBondContact OD1-N 2.89Å; D177-Q181 PolarHBondContact OD2-N 3.33Å; D177-Q181 VanDerWaalsContact OD2-N 3.11Å; A179-Q181 HydrophobicContact CB-CB 4.45Å; A179-Q181 HydrophobicContact CB-CG 4.25Å; A179-Q181 PolarHBondContact O-N 2.97Å; Q181-M183 HydrophobicContact CG-CB 4.18Å; Q181-M183 PolarHBondContact NE2-O 3.28Å
182	G	91.8	Very high	92.9	Very high	33 Å²	33	88.2 Å²	88.2	34%	0.34	45%	0.446	S	S	.	.	S	Bend	trans	89.3	11.4	-175	0	0	0	0	0	113.7	Y3 D177	Y3-G182 WeakPolarHBondContact OH-CA 3.42Å; D177-G182 WeakPolarHBondContact OD2-CA 3.38Å; D177-G182 PolarHBondContact OD2-N 3.41Å
183	M	93.3	Very high	92.8	Very high	124 Å²	124	92.2 Å²	92.2	61%	0.611	46%	0.463	S	S	*	.			trans	-143.5	133.5	-174.4	-65.6	-177.1	-73.2	0	0	110.8	Q181	Q181-M183 HydrophobicContact CG-CB 4.18Å; Q181-M183 PolarHBondContact NE2-O 3.28Å
184	V	94.2	Very high	92.6	Very high	27 Å²	27	89.8 Å²	89.8	16%	0.164	45%	0.454	C	S	.	.			trans	-125.8	137.2	177.6	175	0	0	0	0	109.1	F173 R176 D177 F186	F173-V184 HydrophobicContact CD1-CG2 3.91Å; F173-V184 HydrophobicContact CD2-CG2 4.15Å; F173-V184 HydrophobicContact CE1-CG2 3.62Å; F173-V184 HydrophobicContact CE2-CB 4.13Å; F173-V184 HydrophobicContact CE2-CG2 3.94Å; F173-V184 HydrophobicContact CG-CG2 4.16Å; F173-V184 HydrophobicContact CZ-CB 4.19Å; F173-V184 HydrophobicContact CZ-CG2 3.67Å; R176-V184 HydrophobicContact CB-CB 4.44Å; R176-V184 HydrophobicContact CB-CG1 3.52Å; R176-V184 HydrophobicContact CB-CG2 3.98Å; R176-V184 HydrophobicContact CG-CG1 4.39Å; D177-V184 HydrophobicContact CB-CG2 3.68Å; V184-F186 HydrophobicContact CB-CD2 4.26Å; V184-F186 HydrophobicContact CB-CE2 3.81Å; V184-F186 HydrophobicContact CG1-CD2 3.79Å; V184-F186 HydrophobicContact CG1-CE2 3.47Å; V184-F186 VanDerWaalsContact CG1-CE2 3.47Å; V184-F186 HydrophobicContact CG1-CG 4.43Å; V184-F186 HydrophobicContact CG1-CZ 3.88Å
185	N	94.1	Very high	92.6	Very high	165 Å²	165	86.1 Å²	86.1	88%	0.882	45%	0.445	S	S	*	.			trans	-90.9	120.8	169.5	-75.4	-13.6	0	0	0	109.4
186	F	94.1	Very high	92.5	Very high	71 Å²	71	85.8 Å²	85.8	31%	0.311	45%	0.452	S	S	.	.			trans	-104.8	137.8	173.8	-74.6	-88.9	0	0	0	110.5	R176 V184 D190 F191 C194	R176-F186 VanDerWaalsContact CD-CE1 3.43Å; V184-F186 HydrophobicContact CB-CD2 4.26Å; V184-F186 HydrophobicContact CB-CE2 3.81Å; V184-F186 HydrophobicContact CG1-CD2 3.79Å; V184-F186 HydrophobicContact CG1-CE2 3.47Å; V184-F186 VanDerWaalsContact CG1-CE2 3.47Å; V184-F186 HydrophobicContact CG1-CG 4.43Å; V184-F186 HydrophobicContact CG1-CZ 3.88Å; F186-D190 HydrophobicContact CD1-CB 4.39Å; F186-D190 WeakPolarHBondContact CD1-OD2 3.44Å; F186-F191 HydrophobicContact CB-CB 3.95Å; F186-F191 HydrophobicContact CD1-CB 4.26Å; F186-F191 HydrophobicContact CG-CB 4.28Å; F186-C194 HydrophobicContact CE1-CB 4.18Å
187	S	96.6	Very high	92.1	Very high	74 Å²	74	85.2 Å²	85.2	52%	0.517	46%	0.458	S	S	.	.			trans	-73.6	161.3	155.5	71.7	0	0	0	0	109.1	D189 D190 F191	S187-D189 PolarHBondContact O-N 3.47Å; S187-D190 PolarHBondContact O-N 3.02Å; S187-D190 VanDerWaalsContact OG-CB 3.28Å; S187-D190 WeakPolarHBondContact OG-CB 3.46Å; S187-D190 PolarHBondContact OG-N 2.88Å; S187-F191 WeakPolarHBondContact O-CB 3.46Å; S187-F191 PolarHBondContact O-N 2.83Å
188	Y	94.9	Very high	91.2	Very high	175 Å²	175	85.8 Å²	85.8	69%	0.686	46%	0.462	S	S	*	.	H	α-helix	trans	-57.4	-49.2	179.3	176.6	-103.8	0	0	0	111.9	D190 F191 I192	Y188-D190 PolarHBondContact O-N 3.39Å; Y188-F191 WeakPolarHBondContact O-CB 3.39Å; Y188-F191 PolarHBondContact O-N 2.96Å; Y188-I192 HydrophobicContact CD1-CG1 4.4Å; Y188-I192 HydrophobicContact CD2-CG1 4.26Å; Y188-I192 HydrophobicContact CE1-CG1 3.99Å; Y188-I192 HydrophobicContact CE2-CD1 3.99Å; Y188-I192 HydrophobicContact CE2-CG1 3.82Å; Y188-I192 WeakPolarHBondContact O-CG1 3.31Å; Y188-I192 PolarHBondContact O-N 3.03Å
189	D	94.9	Very high	91.1	Very high	120 Å²	120	84.6 Å²	84.6	64%	0.642	45%	0.446	S	S	*	.	H	α-helix	trans	-65.3	-39.7	-178.8	-62.8	-30.1	0	0	0	112	S187 F191 I192 Q193	S187-D189 PolarHBondContact O-N 3.47Å; D189-F191 VanDerWaalsContact C-N 3.34Å; D189-F191 PolarHBondContact O-N 3.47Å; D189-I192 PolarHBondContact O-N 3.4Å; D189-Q193 VanDerWaalsContact O-CB 3.3Å; D189-Q193 WeakPolarHBondContact O-CB 3.47Å; D189-Q193 PolarHBondContact O-N 3.02Å
190	D	91.3	Very high	91	Very high	44 Å²	44	85.2 Å²	85.2	24%	0.235	44%	0.438	C	S	.	.	H	α-helix	trans	-65.7	-38	176.9	-172.2	42.3	0	0	0	111.5	R176 F186 S187 Y188 C194	R176-D190 IonicContact CZ-OD1 3.36Å; R176-D190 IonicContact CZ-OD2 3.5Å; R176-D190 IonicContact NE-OD1 2.99Å; R176-D190 PolarHBondContact NE-OD1 3.08Å; R176-D190 IonicContact NE-OD2 3.49Å; R176-D190 PolarHBondContact NE-OD2 3.36Å; R176-D190 IonicContact NH2-OD1 3.62Å; R176-D190 PolarHBondContact NH2-OD1 3.11Å; R176-D190 IonicContact NH2-OD2 2.7Å; F186-D190 HydrophobicContact CD1-CB 4.39Å; F186-D190 WeakPolarHBondContact CD1-OD2 3.44Å; S187-D190 PolarHBondContact O-N 3.02Å; S187-D190 VanDerWaalsContact OG-CB 3.28Å; S187-D190 WeakPolarHBondContact OG-CB 3.46Å; S187-D190 PolarHBondContact OG-N 2.88Å; Y188-D190 PolarHBondContact O-N 3.39Å; D190-C194 WeakPolarHBondContact O-CB 3.34Å; D190-C194 PolarHBondContact O-N 3.38Å
191	F	94	Very high	91	Very high	99 Å²	99	83.1 Å²	83.1	43%	0.434	43%	0.43	S	S	.	.	H	α-helix	trans	-63.2	-49.9	174	174.2	-103.8	0	0	0	111.6	F186 S187 Y188 D189 C194 V195	F186-F191 HydrophobicContact CB-CB 3.95Å; F186-F191 HydrophobicContact CD1-CB 4.26Å; F186-F191 HydrophobicContact CG-CB 4.28Å; S187-F191 WeakPolarHBondContact O-CB 3.46Å; S187-F191 PolarHBondContact O-N 2.83Å; Y188-F191 WeakPolarHBondContact O-CB 3.39Å; Y188-F191 PolarHBondContact O-N 2.96Å; D189-F191 VanDerWaalsContact C-N 3.34Å; D189-F191 PolarHBondContact O-N 3.47Å; F191-C194 PolarHBondContact O-N 3.2Å; F191-V195 HydrophobicContact CD2-CG2 4.01Å; F191-V195 HydrophobicContact CE2-CG2 3.66Å; F191-V195 HydrophobicContact CZ-CG2 3.98Å; F191-V195 WeakPolarHBondContact O-CB 3Å; F191-V195 WeakPolarHBondContact O-CG2 3.45Å; F191-V195 PolarHBondContact O-N 3.2Å
192	I	94.4	Very high	90.9	Very high	63 Å²	63	82.1 Å²	82.1	32%	0.323	43%	0.428	S	S	.	.	H	α-helix	trans	-62.9	-48.2	-178.9	-65.3	-62.5	0	0	0	110.4	Y188 D189 C194 V195 M196	Y188-I192 HydrophobicContact CD1-CG1 4.4Å; Y188-I192 HydrophobicContact CD2-CG1 4.26Å; Y188-I192 HydrophobicContact CE1-CG1 3.99Å; Y188-I192 HydrophobicContact CE2-CD1 3.99Å; Y188-I192 HydrophobicContact CE2-CG1 3.82Å; Y188-I192 WeakPolarHBondContact O-CG1 3.31Å; Y188-I192 PolarHBondContact O-N 3.03Å; D189-I192 PolarHBondContact O-N 3.4Å; I192-C194 PolarHBondContact O-N 3.05Å; I192-V195 PolarHBondContact O-N 3.06Å; I192-M196 HydrophobicContact CG2-CG 3.96Å; I192-M196 WeakPolarHBondContact O-CB 3.48Å; I192-M196 WeakPolarHBondContact O-CG 3.38Å; I192-M196 PolarHBondContact O-N 3.19Å
193	Q	88.5	Confident	90.8	Very high	102 Å²	102	85.1 Å²	85.1	48%	0.477	43%	0.434	S	S	.	.	H	α-helix	trans	-58.5	-50.9	176.7	-175	177.5	-11.3	0	0	110.6	D189 V195 M196 T197	D189-Q193 VanDerWaalsContact O-CB 3.3Å; D189-Q193 WeakPolarHBondContact O-CB 3.47Å; D189-Q193 PolarHBondContact O-N 3.02Å; Q193-V195 VanDerWaalsContact C-N 3.29Å; Q193-V195 PolarHBondContact O-N 3.09Å; Q193-M196 PolarHBondContact O-N 3.17Å; Q193-T197 HydrophobicContact CG-CG2 4.16Å; Q193-T197 WeakPolarHBondContact O-CB 3.48Å; Q193-T197 VanDerWaalsContact O-CG2 3.32Å; Q193-T197 WeakPolarHBondContact O-CG2 3.45Å; Q193-T197 PolarHBondContact O-N 3.23Å; Q193-T197 VanDerWaalsContact O-N 3.1Å; Q193-T197 PolarHBondContact O-OG1 3.36Å
194	C	87.9	Confident	90.6	Very high	11 Å²	11	82.5 Å²	82.5	7%	0.074	42%	0.422	C	S	.	.	H	α-helix	trans	-59.1	-35.5	-178.6	-177.5	0	0	0	0	113.8	S172 F186 D190 F191 I192 V198	S172-C194 VanDerWaalsContact CB-SG 3.55Å; F186-C194 HydrophobicContact CE1-CB 4.18Å; D190-C194 WeakPolarHBondContact O-CB 3.34Å; D190-C194 PolarHBondContact O-N 3.38Å; F191-C194 PolarHBondContact O-N 3.2Å; I192-C194 PolarHBondContact O-N 3.05Å; C194-V198 WeakPolarHBondContact O-CG2 3.3Å
195	V	90	Very high	90.4	Very high	46 Å²	46	86.5 Å²	86.5	28%	0.279	44%	0.44	S	S	.	.	H	α-helix	trans	-89.6	-34.4	-176	176	0	0	0	0	112.2	L169 F191 I192 Q193	L169-V195 HydrophobicContact CD2-CG2 4.39Å; F191-V195 HydrophobicContact CD2-CG2 4.01Å; F191-V195 HydrophobicContact CE2-CG2 3.66Å; F191-V195 HydrophobicContact CZ-CG2 3.98Å; F191-V195 WeakPolarHBondContact O-CB 3Å; F191-V195 WeakPolarHBondContact O-CG2 3.45Å; F191-V195 PolarHBondContact O-N 3.2Å; I192-V195 PolarHBondContact O-N 3.06Å; Q193-V195 VanDerWaalsContact C-N 3.29Å; Q193-V195 PolarHBondContact O-N 3.09Å
196	M	88.1	Confident	90.1	Very high	146 Å²	146	80.5 Å²	80.5	72%	0.719	41%	0.406	S	S	*	.	H	α-helix	trans	-86.1	-21.7	-174.2	-64.3	-62.8	-65.5	0	0	113.6	I192 Q193 V198	I192-M196 HydrophobicContact CG2-CG 3.96Å; I192-M196 WeakPolarHBondContact O-CB 3.48Å; I192-M196 WeakPolarHBondContact O-CG 3.38Å; I192-M196 PolarHBondContact O-N 3.19Å; Q193-M196 PolarHBondContact O-N 3.17Å; M196-V198 VanDerWaalsContact C-N 3.31Å
197	T	81.6	Confident	89.8	Confident	77 Å²	77	81.3 Å²	81.3	47%	0.472	41%	0.414	S	S	.	.			trans	-86.3	-5.6	174.3	64	0	0	0	0	113.1	S80 Q193	S80-T197 VanDerWaalsContact CB-O 3.31Å; S80-T197 WeakPolarHBondContact CB-O 3.25Å; S80-T197 PolarHBondContact OG-O 3.21Å; Q193-T197 HydrophobicContact CG-CG2 4.16Å; Q193-T197 WeakPolarHBondContact O-CB 3.48Å; Q193-T197 VanDerWaalsContact O-CG2 3.32Å; Q193-T197 WeakPolarHBondContact O-CG2 3.45Å; Q193-T197 PolarHBondContact O-N 3.23Å; Q193-T197 VanDerWaalsContact O-N 3.1Å; Q193-T197 PolarHBondContact O-OG1 3.36Å
198	V	75.1	Confident	89.2	Confident	18 Å²	18	81.9 Å²	81.9	11%	0.109	41%	0.405	C	S	.	.			trans	-92.1	0	177.3	173.6	0	0	0	0	112.4	L77 K165 A168 L169 C194 M196	L77-V198 WeakPolarHBondContact CD2-OXT 3.41Å; K165-V198 HydrophobicContact CG-CG1 4.08Å; K165-V198 PolarHBondContact NZ-O 3.24Å; A168-V198 HydrophobicContact CB-CG1 3.47Å; A168-V198 VanDerWaalsContact CB-CG1 3.47Å; A168-V198 HydrophobicContact CB-CG2 4.22Å; L169-V198 HydrophobicContact CD2-CB 4.36Å; L169-V198 HydrophobicContact CD2-CG1 4.39Å; L169-V198 HydrophobicContact CD2-CG2 4.28Å; L169-V198 HydrophobicContact CG-CG1 4.24Å; C194-V198 WeakPolarHBondContact O-CG2 3.3Å; M196-V198 VanDerWaalsContact C-N 3.31Å

Retrieved 198 of 198 residues in 197.8 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).