X2JEB8_DROME Loading...

Dual specificity protein phosphatase

Dual specificity phosphatase able to dephosphorylate phosphotyrosine, phosphoserine and phosphothreonine residues, with a preference for phosphotyrosine as a substrate.

AlphaFold DB , UniProt , Accession X2JEB8, Species DROME (Drosophila melanogaster, Fruit fly), Gene MKP-like, Length 235 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	39.4	Very low	34.3	Very low	233 Å²	233	173.3 Å²	173.3	100%	1.148	84%	0.841	S	S	*	*				0	102.4	0	-72.1	173	-177.2	0	0	107.7
2	S	36.3	Very low	34.1	Very low	111 Å²	111	178.3 Å²	178.3	78%	0.776	85%	0.847	S	S	*	*			trans	-90.1	116.8	-173	161.6	0	0	0	0	109.8
3	W	29.7	Very low	34	Very low	218 Å²	218	172 Å²	172	83%	0.826	83%	0.834	S	S	*	*			trans	-81.3	117.8	174.9	-69.5	87.9	0	0	0	110.1	Y5	W3-Y5 HydrophobicContact CE3-CE2 4.12Å; W3-Y5 HydrophobicContact CZ3-CE2 4.44Å
4	R	34.5	Very low	33.7	Very low	234 Å²	234	167.4 Å²	167.4	88%	0.883	83%	0.827	S	S	*	*			trans	-106.7	107.5	168.2	-82.1	-176.7	173.4	-174.2	-1.9	108.2
5	Y	33.9	Very low	33.8	Very low	202 Å²	202	163.3 Å²	163.3	79%	0.792	82%	0.822	S	S	*	*			trans	-100.4	111.1	163	-96.6	-88.4	0	0	0	108.2	W3	W3-Y5 HydrophobicContact CE3-CE2 4.12Å; W3-Y5 HydrophobicContact CZ3-CE2 4.44Å
6	A	37.3	Very low	33.9	Very low	90 Å²	90	164.3 Å²	164.3	74%	0.744	83%	0.828	S	S	*	*			trans	-98	116.8	168.1	0	0	0	0	0	107.6
7	L	34.2	Very low	33.7	Very low	165 Å²	165	158.2 Å²	158.2	86%	0.864	82%	0.816	S	S	*	*			trans	-104.3	107.3	168.9	-75.3	170.6	0	0	0	107.6
8	L	32.8	Very low	33.5	Very low	167 Å²	167	157.4 Å²	157.4	87%	0.874	81%	0.814	S	S	*	*			trans	-78.5	136	172.2	-92.6	151.8	0	0	0	109.7
9	T	35.1	Very low	33.7	Very low	101 Å²	101	162.5 Å²	162.5	62%	0.62	82%	0.821	S	S	*	*			trans	-65.6	142.8	173.4	50.4	0	0	0	0	111.7
10	D	33.9	Very low	33.4	Very low	170 Å²	170	165.7 Å²	165.7	91%	0.909	83%	0.825	S	S	*	*			trans	-138.4	128.8	146.9	-109.7	-24.3	0	0	0	111.4
11	R	30.4	Very low	33.7	Very low	215 Å²	215	163.2 Å²	163.2	81%	0.811	82%	0.823	S	S	*	*			trans	-114.2	126.6	-179.1	-85.4	-175.6	-80.8	-129.7	-4.9	107.5
12	Y	31.3	Very low	34	Very low	234 Å²	234	157.1 Å²	157.1	92%	0.918	80%	0.801	S	S	*	*			trans	-169.9	95.6	155.6	-106.8	-81.2	0	0	0	106.2
13	S	32.9	Very low	33.8	Very low	96 Å²	96	159.9 Å²	159.9	67%	0.671	80%	0.801	S	S	*	*				67.4	120.9	72.8	-163.8	0	0	0	0	116.3
14	S	30.7	Very low	34	Very low	107 Å²	107	160.2 Å²	160.2	75%	0.748	80%	0.804	S	S	*	*			trans	68.3	141.6	151	32.6	0	0	0	0	117.9
15	S	34.6	Very low	34	Very low	107 Å²	107	158.9 Å²	158.9	75%	0.748	80%	0.801	S	S	*	*			cis	-173.4	128.8	7.1	47.9	0	0	0	0	108.1
16	I	34.7	Very low	34	Very low	179 Å²	179	158 Å²	158	92%	0.918	80%	0.804	S	S	*	*			trans	-143.7	110.1	154.9	-60	-175.4	0	0	0	107.6
17	G	30.6	Very low	33.7	Very low	61 Å²	61	158.8 Å²	158.8	63%	0.629	80%	0.804	S	S	*	*			trans	-88.9	160.3	174.7	0	0	0	0	0	112.9
18	D	31	Very low	34.1	Very low	144 Å²	144	157 Å²	157	77%	0.77	80%	0.802	S	S	*	*			trans	66.8	102.9	152.1	-60.6	-20	0	0	0	120.1
19	R	37.5	Very low	34.5	Very low	253 Å²	253	154.4 Å²	154.4	96%	0.955	80%	0.798	S	S	*	*				-160.4	103.3	116	-104.4	176.4	-72.8	-156	3.3	110.7
20	Y	27.1	Very low	34.6	Very low	227 Å²	227	160.6 Å²	160.6	89%	0.89	81%	0.81	S	S	*	*			trans	-91.4	128.6	174.4	-101.4	-94.7	0	0	0	111
21	S	39.5	Very low	34.8	Very low	114 Å²	114	160.7 Å²	160.7	80%	0.797	81%	0.809	S	S	*	*			trans	-175.2	153.1	138.5	-95.8	0	0	0	0	112.1
22	P	45.4	Very low	35.3	Very low	105 Å²	105	159.1 Å²	159.1	68%	0.682	81%	0.811	S	S	*	*			trans	-109.4	125.4	-135.3	35.6	-26.1	0	0	0	113.1
23	H	33.4	Very low	35.9	Very low	168 Å²	168	152 Å²	152	78%	0.778	79%	0.792	S	S	*	*			trans	-83.3	114.7	157.2	-75.7	-72.9	0	0	0	108.4	Y25	H23-Y25 HydrophobicContact CB-CD2 4.16Å; H23-Y25 HydrophobicContact CB-CE2 4.17Å; H23-Y25 PolarHBondContact O-N 2.61Å
24	Y	33.2	Very low	37	Very low	225 Å²	225	153.5 Å²	153.5	88%	0.882	80%	0.802	S	S	*	*			trans	-54	83	164.6	-87.5	-98.1	0	0	0	109.7	Q26	Y24-Q26 PolarHBondContact O-N 3.33Å
25	Y	35	Very low	39.1	Very low	207 Å²	207	155.1 Å²	155.1	81%	0.812	80%	0.798	S	S	*	*			trans	-77.4	102	159.6	-87.9	-85.7	0	0	0	106.5	H23 S27	H23-Y25 HydrophobicContact CB-CD2 4.16Å; H23-Y25 HydrophobicContact CB-CE2 4.17Å; H23-Y25 PolarHBondContact O-N 2.61Å; Y25-S27 PolarHBondContact O-N 3.06Å
26	Q	32.7	Very low	41.6	Very low	184 Å²	184	155.9 Å²	155.9	86%	0.86	79%	0.79	S	S	*	*			trans	-50.9	107.1	162.6	-82.1	175.3	-30.4	0	0	107.6	Y24	Y24-Q26 PolarHBondContact O-N 3.33Å
27	S	32.8	Very low	44.4	Very low	106 Å²	106	147.9 Å²	147.9	74%	0.741	75%	0.749	S	S	*	*			trans	-61.7	124.9	175.5	-14.6	0	0	0	0	106.7	Y25 S29	Y25-S27 PolarHBondContact O-N 3.06Å; S27-S29 PolarHBondContact O-N 3.1Å
28	P	42.5	Very low	47.5	Very low	126 Å²	126	147.5 Å²	147.5	82%	0.818	74%	0.735	S	S	*	*			trans	-56.3	115.1	175.8	-21.2	31.6	0	0	0	108.1	R30	P28-R30 PolarHBondContact O-N 3.24Å; P28-R30 VanDerWaalsContact O-N 3.15Å
29	S	40.9	Very low	50.5	Low	113 Å²	113	141 Å²	141	79%	0.79	70%	0.702	S	S	*	*	S	Bend	trans	-45.3	119.2	177	50.2	0	0	0	0	109.9	S27	S27-S29 PolarHBondContact O-N 3.1Å
30	R	36.9	Very low	53.3	Low	232 Å²	232	137.1 Å²	137.1	88%	0.875	69%	0.687	S	S	*	*	S	Bend	trans	47.3	105	164.1	-96	173.9	174.3	166.1	-1.4	114.5	P28 E32	P28-R30 PolarHBondContact O-N 3.24Å; P28-R30 VanDerWaalsContact O-N 3.15Å; R30-E32 VanDerWaalsContact C-N 3.34Å; R30-E32 PolarHBondContact O-N 3.45Å
31	L	38.2	Very low	56.5	Low	172 Å²	172	130 Å²	130	90%	0.901	66%	0.662	S	S	*	*			trans	-28.1	98	149.4	-73.1	141.8	0	0	0	109.9	T33	L31-T33 PolarHBondContact O-N 2.94Å
32	E	40.4	Very low	59.2	Low	181 Å²	181	124.6 Å²	124.6	85%	0.846	62%	0.624	S	S	*	*			trans	-51.5	114.6	161.5	-77	178	160.4	0	0	104.2	R30 S34	R30-E32 VanDerWaalsContact C-N 3.34Å; R30-E32 PolarHBondContact O-N 3.45Å; E32-S34 PolarHBondContact O-N 2.9Å
33	T	43.6	Very low	61.6	Low	84 Å²	84	123.6 Å²	123.6	52%	0.515	61%	0.611	S	S	.	*			trans	-42.9	118.4	-179.5	49.4	0	0	0	0	108.4	L31 E35 Q36	L31-T33 PolarHBondContact O-N 2.94Å; T33-E35 PolarHBondContact O-N 3.29Å; T33-Q36 PolarHBondContact O-N 3.32Å
34	S	57.2	Low	64.4	Low	128 Å²	128	122.5 Å²	122.5	90%	0.895	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	3.9	-172	51.7	0	0	0	0	115.2	E32	E32-S34 PolarHBondContact O-N 2.9Å
35	E	73.9	Confident	67.2	Low	142 Å²	142	112.7 Å²	112.7	66%	0.664	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-22.9	-175.5	-65.3	-174.7	161	0	0	113.8	T33 T37 M225	T33-E35 PolarHBondContact O-N 3.29Å; E35-T37 PolarHBondContact O-N 3.15Å; E35-M225 VanDerWaalsContact O-SD 3.41Å
36	Q	87.4	Confident	69.8	Low	122 Å²	122	103.6 Å²	103.6	57%	0.57	53%	0.528	S	S	*	.			trans	-84.2	118.5	-175	-67.3	-172	41	0	0	112	T33 Q41 M225	T33-Q36 PolarHBondContact O-N 3.32Å; Q36-Q41 PolarHBondContact O-OE1 3.17Å; Q36-M225 HydrophobicContact CB-CE 4.36Å; Q36-M225 HydrophobicContact CG-CE 3.95Å
37	T	92.7	Very high	72.3	Confident	11 Å²	11	101.6 Å²	101.6	7%	0.067	52%	0.519	C	S	.	.			trans	-84.4	131.1	168.7	-60.7	0	0	0	0	109.4	E35 L42 A197 A221 D224 M225 K228	E35-T37 PolarHBondContact O-N 3.15Å; T37-L42 HydrophobicContact CG2-CD1 4.32Å; T37-L42 HydrophobicContact CG2-CD2 3.81Å; T37-L42 HydrophobicContact CG2-CG 4.06Å; T37-A197 HydrophobicContact CG2-CB 4.49Å; T37-A221 HydrophobicContact CG2-CB 3.97Å; T37-D224 HydrophobicContact CG2-CB 4.23Å; T37-D224 PolarHBondContact OG1-OD2 3.33Å; T37-M225 PolarHBondContact N-SD 3.18Å; T37-K228 PolarHBondContact OG1-NZ 3.17Å
38	T	95.6	Very high	74.8	Confident	54 Å²	54	104.9 Å²	104.9	33%	0.331	52%	0.516	S	S	.	.			trans	-123.5	154.4	-179.8	66	0	0	0	0	111.3	R40 Q41 L42 A221	T38-R40 PolarHBondContact O-N 3.16Å; T38-Q41 WeakPolarHBondContact O-CB 3.38Å; T38-Q41 PolarHBondContact O-N 3.09Å; T38-Q41 WeakPolarHBondContact OG1-CB 3.24Å; T38-Q41 PolarHBondContact OG1-N 3.06Å; T38-Q41 VanDerWaalsContact OG1-N 3.15Å; T38-L42 PolarHBondContact O-N 3.41Å; T38-L42 VanDerWaalsContact O-N 3.09Å; T38-A221 VanDerWaalsContact C-CB 3.49Å
39	G	95.7	Very high	76.5	Confident	7 Å²	7	99.8 Å²	99.8	7%	0.072	48%	0.483	C	S	.	.	H	α-helix	trans	-56.8	-37.2	174.9	0	0	0	0	0	112.3	Q41 L42 Q43	G39-Q41 PolarHBondContact O-N 3.3Å; G39-L42 PolarHBondContact O-N 3.39Å; G39-Q43 WeakPolarHBondContact O-CB 3.42Å; G39-Q43 PolarHBondContact O-N 3.1Å
40	R	95.1	Very high	77.9	Confident	172 Å²	172	101.9 Å²	101.9	65%	0.649	48%	0.483	S	S	*	.	H	α-helix	trans	-64.2	-37.8	176.1	-166.1	177.8	-169.7	-175.4	3.6	112.7	T38 Q43 R44	T38-R40 PolarHBondContact O-N 3.16Å; R40-Q43 PolarHBondContact O-N 3.38Å; R40-R44 WeakPolarHBondContact O-CG 3.39Å; R40-R44 PolarHBondContact O-N 3.04Å; R40-R44 VanDerWaalsContact O-N 3.12Å
41	Q	94.7	Very high	79.2	Confident	78 Å²	78	91.4 Å²	91.4	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-46.2	173.7	-176.1	-175.2	5.6	0	0	110.7	Q36 T38 G39 Q43 R44 V45	Q36-Q41 PolarHBondContact O-OE1 3.17Å; T38-Q41 WeakPolarHBondContact O-CB 3.38Å; T38-Q41 PolarHBondContact O-N 3.09Å; T38-Q41 WeakPolarHBondContact OG1-CB 3.24Å; T38-Q41 PolarHBondContact OG1-N 3.06Å; T38-Q41 VanDerWaalsContact OG1-N 3.15Å; G39-Q41 PolarHBondContact O-N 3.3Å; Q41-Q43 VanDerWaalsContact C-N 3.32Å; Q41-Q43 PolarHBondContact O-N 3.32Å; Q41-R44 WeakPolarHBondContact O-CB 3.32Å; Q41-R44 PolarHBondContact O-N 3.39Å; Q41-V45 WeakPolarHBondContact O-CG2 3.32Å; Q41-V45 PolarHBondContact O-N 2.92Å
42	L	96.2	Very high	80.3	Confident	0 Å²	0	87 Å²	87	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-64.7	-36.1	178.2	-60.1	-173.1	0	0	0	112.3	T37 T38 G39 R44 V45 L46 A197 V198 I201 L217 L220 A221	T37-L42 HydrophobicContact CG2-CD1 4.32Å; T37-L42 HydrophobicContact CG2-CD2 3.81Å; T37-L42 HydrophobicContact CG2-CG 4.06Å; T38-L42 PolarHBondContact O-N 3.41Å; T38-L42 VanDerWaalsContact O-N 3.09Å; G39-L42 PolarHBondContact O-N 3.39Å; L42-R44 PolarHBondContact O-N 2.96Å; L42-V45 WeakPolarHBondContact O-CB 3.44Å; L42-V45 PolarHBondContact O-N 3.47Å; L42-L46 PolarHBondContact O-N 2.97Å; L42-A197 HydrophobicContact CD1-CB 3.84Å; L42-A197 HydrophobicContact CD2-CB 3.75Å; L42-A197 HydrophobicContact CG-CB 4.47Å; L42-V198 HydrophobicContact CD2-CG2 3.97Å; L42-I201 HydrophobicContact CB-CD1 3.86Å; L42-I201 HydrophobicContact CD1-CD1 4.28Å; L42-I201 HydrophobicContact CD2-CD1 4.01Å; L42-I201 HydrophobicContact CG-CD1 4.26Å; L42-L217 HydrophobicContact CB-CD2 4.12Å; L42-L220 HydrophobicContact CD1-CB 4.05Å; L42-A221 HydrophobicContact CD1-CB 4Å
43	Q	94.6	Very high	81.2	Confident	84 Å²	84	81.6 Å²	81.6	39%	0.393	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-43.3	173.3	-165.1	-172.2	44.2	0	0	111.6	G39 R40 Q41 L46 H47 D214 L217	G39-Q43 WeakPolarHBondContact O-CB 3.42Å; G39-Q43 PolarHBondContact O-N 3.1Å; R40-Q43 PolarHBondContact O-N 3.38Å; Q41-Q43 VanDerWaalsContact C-N 3.32Å; Q41-Q43 PolarHBondContact O-N 3.32Å; Q43-L46 PolarHBondContact O-N 2.87Å; Q43-H47 PolarHBondContact O-N 2.87Å; Q43-D214 PolarHBondContact NE2-OD1 2.94Å; Q43-D214 PolarHBondContact NE2-OD2 3.34Å; Q43-L217 HydrophobicContact CB-CD1 3.86Å; Q43-L217 HydrophobicContact CG-CD1 4.16Å
44	R	93.5	Very high	82	Confident	144 Å²	144	78.9 Å²	78.9	54%	0.543	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-43.4	173.4	-71.5	175.2	176.5	172.8	-0.5	111.5	R40 Q41 L42 L46 H47 Y48	R40-R44 WeakPolarHBondContact O-CG 3.39Å; R40-R44 PolarHBondContact O-N 3.04Å; R40-R44 VanDerWaalsContact O-N 3.12Å; Q41-R44 WeakPolarHBondContact O-CB 3.32Å; Q41-R44 PolarHBondContact O-N 3.39Å; L42-R44 PolarHBondContact O-N 2.96Å; R44-L46 VanDerWaalsContact C-N 3.32Å; R44-L46 PolarHBondContact O-N 3.41Å; R44-H47 PolarHBondContact O-N 2.72Å; R44-Y48 HydrophobicContact CB-CD2 4.41Å; R44-Y48 HydrophobicContact CB-CE2 4.42Å; R44-Y48 WeakPolarHBondContact O-CD2 3.33Å; R44-Y48 PolarHBondContact O-N 2.93Å
45	V	91.5	Very high	81.6	Confident	20 Å²	20	77 Å²	77	12%	0.121	38%	0.382	C	S	.	.	H	α-helix	trans	-58.8	-44.2	176.4	173.9	0	0	0	0	110.9	Q41 L42 H47 Y48 S49 V198 I201 R202	Q41-V45 WeakPolarHBondContact O-CG2 3.32Å; Q41-V45 PolarHBondContact O-N 2.92Å; L42-V45 WeakPolarHBondContact O-CB 3.44Å; L42-V45 PolarHBondContact O-N 3.47Å; V45-H47 PolarHBondContact O-N 3.31Å; V45-Y48 PolarHBondContact O-N 3.46Å; V45-S49 WeakPolarHBondContact O-CB 3.35Å; V45-S49 PolarHBondContact O-N 3.46Å; V45-S49 PolarHBondContact O-OG 3Å; V45-V198 HydrophobicContact CG1-CG1 4.09Å; V45-V198 HydrophobicContact CG2-CG1 4.15Å; V45-V198 HydrophobicContact CG2-CG2 4.19Å; V45-I201 HydrophobicContact CG1-CB 4.44Å; V45-I201 HydrophobicContact CG1-CG2 3.86Å; V45-R202 HydrophobicContact CG1-CG 4.4Å
46	L	89.5	Confident	80.5	Confident	15 Å²	15	75.8 Å²	75.8	8%	0.079	38%	0.38	C	S	.	.	H	α-helix	trans	-62	-41.5	176.4	-79.6	171.3	0	0	0	113	L42 Q43 R44 I201 R205 I210 L217	L42-L46 PolarHBondContact O-N 2.97Å; Q43-L46 PolarHBondContact O-N 2.87Å; R44-L46 VanDerWaalsContact C-N 3.32Å; R44-L46 PolarHBondContact O-N 3.41Å; L46-I201 HydrophobicContact CD2-CG2 3.51Å; L46-I201 HydrophobicContact CG-CD1 4.42Å; L46-I201 HydrophobicContact CG-CG2 3.91Å; L46-R205 HydrophobicContact CD2-CG 3.83Å; L46-R205 PolarHBondContact O-NH2 3.37Å; L46-R205 VanDerWaalsContact O-NH2 3.08Å; L46-I210 HydrophobicContact CD2-CD1 4.1Å; L46-I210 HydrophobicContact CD2-CG1 3.9Å; L46-L217 HydrophobicContact CD1-CD1 3.96Å; L46-L217 HydrophobicContact CD1-CD2 3.57Å; L46-L217 HydrophobicContact CD1-CG 4.36Å
47	H	86.4	Confident	78.7	Confident	142 Å²	142	74.5 Å²	74.5	66%	0.657	38%	0.382	S	S	*	.	H	α-helix	trans	-63	-43.5	179	-177.4	76.7	0	0	0	112.1	Q43 R44 V45	Q43-H47 PolarHBondContact O-N 2.87Å; R44-H47 PolarHBondContact O-N 2.72Å; V45-H47 PolarHBondContact O-N 3.31Å
48	Y	84.8	Confident	76.7	Confident	175 Å²	175	77 Å²	77	69%	0.686	41%	0.409	S	S	*	.	H	α-helix	trans	-90.4	-17.7	-177.2	-65.5	-65.2	0	0	0	114.5	R44 V45 M50	R44-Y48 HydrophobicContact CB-CD2 4.41Å; R44-Y48 HydrophobicContact CB-CE2 4.42Å; R44-Y48 WeakPolarHBondContact O-CD2 3.33Å; R44-Y48 PolarHBondContact O-N 2.93Å; V45-Y48 PolarHBondContact O-N 3.46Å; Y48-M50 PolarHBondContact O-N 3.44Å
49	S	78.5	Confident	74.7	Confident	19 Å²	19	79.9 Å²	79.9	13%	0.133	42%	0.422	C	S	.	.			trans	-79.3	107.2	175.1	-58.1	0	0	0	0	109.3	V45 R205	V45-S49 WeakPolarHBondContact O-CB 3.35Å; V45-S49 PolarHBondContact O-N 3.46Å; V45-S49 PolarHBondContact O-OG 3Å; S49-R205 PolarHBondContact O-NE 3.48Å; S49-R205 VanDerWaalsContact O-NE 3.09Å; S49-R205 PolarHBondContact O-NH2 3.47Å
50	M	69.3	Low	73	Confident	157 Å²	157	83.2 Å²	83.2	77%	0.773	43%	0.433	S	S	*	.			trans	-75.5	152	173.4	-60.7	-152.9	82.4	0	0	111.3	Y48 P52	Y48-M50 PolarHBondContact O-N 3.44Å; M50-P52 VanDerWaalsContact C-CD 3.5Å; M50-P52 WeakPolarHBondContact O-CD 3.46Å
51	A	64	Low	71.6	Confident	12 Å²	12	82.5 Å²	82.5	10%	0.099	43%	0.43	C	S	.	.			trans	-101.1	84	173.6	0	0	0	0	0	110.1	S53 R54 R205	A51-S53 PolarHBondContact O-N 2.9Å; A51-R54 CarbonylContact O-C 3.2Å; A51-R54 PolarHBondContact O-N 2.71Å; A51-R54 VanDerWaalsContact O-N 3.07Å; A51-R205 WeakPolarHBondContact CA-O 3.48Å; A51-R205 WeakPolarHBondContact CB-O 3.3Å
52	P	62.4	Low	70.3	Confident	81 Å²	81	82.6 Å²	82.6	53%	0.526	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-62.2	-29.2	-173	21.8	-32.3	0	0	0	113.2	M50 R54 M206	M50-P52 VanDerWaalsContact C-CD 3.5Å; M50-P52 WeakPolarHBondContact O-CD 3.46Å; P52-R54 PolarHBondContact O-N 3.28Å; P52-M206 HydrophobicContact CG-CE 3.39Å; P52-M206 HydrophobicContact CG-SD 3.73Å
53	S	59.2	Low	69	Low	66 Å²	66	88.7 Å²	88.7	46%	0.462	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-69.7	-16.9	178.2	55.7	0	0	0	0	114.2	A51 M206 R207	A51-S53 PolarHBondContact O-N 2.9Å; S53-M206 VanDerWaalsContact CB-O 3.31Å; S53-M206 WeakPolarHBondContact CB-O 3.41Å; S53-M206 PolarHBondContact OG-O 3.02Å; S53-R207 VanDerWaalsContact OG-C 3.3Å; S53-R207 WeakPolarHBondContact OG-CA 3.4Å; S53-R207 PolarHBondContact OG-O 2.95Å
54	R	60	Low	68	Low	27 Å²	27	84.9 Å²	84.9	10%	0.102	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-137.8	78.4	170.6	-73.3	-164.3	-179.1	-165.6	2.1	109.8	A51 P52 L56 L59 D70 D72	A51-R54 CarbonylContact O-C 3.2Å; A51-R54 PolarHBondContact O-N 2.71Å; A51-R54 VanDerWaalsContact O-N 3.07Å; P52-R54 PolarHBondContact O-N 3.28Å; R54-L56 PolarHBondContact O-N 2.97Å; R54-L59 WeakPolarHBondContact CD-O 3.28Å; R54-L59 PolarHBondContact NE-O 3.33Å; R54-L59 PolarHBondContact NH1-O 3.14Å; R54-D70 IonicContact CZ-OD1 3.07Å; R54-D70 IonicContact NH1-OD1 3.74Å; R54-D70 PolarHBondContact NH1-OD1 3.41Å; R54-D70 IonicContact NH1-OD2 2.75Å; R54-D70 IonicContact NH2-OD1 2.91Å; R54-D70 PolarHBondContact NH2-OD1 2.86Å; R54-D72 IonicContact CZ-OD1 3.14Å; R54-D72 VanDerWaalsContact CZ-OD1 3.29Å; R54-D72 IonicContact CZ-OD2 3.25Å; R54-D72 IonicContact NE-OD1 3.87Å; R54-D72 PolarHBondContact NE-OD1 2.85Å; R54-D72 VanDerWaalsContact NE-OD1 3.14Å; R54-D72 IonicContact NE-OD2 2.77Å; R54-D72 PolarHBondContact NE-OD2 3.41Å; R54-D72 IonicContact NH1-OD2 3.79Å; R54-D72 IonicContact NH2-OD1 3.08Å; R54-D72 PolarHBondContact NH2-OD1 2.97Å; R54-D72 IonicContact NH2-OD2 3.29Å; R54-D72 PolarHBondContact NH2-OD2 3.11Å
55	A	48.2	Very low	67	Low	89 Å²	89	80.7 Å²	80.7	74%	0.736	45%	0.451	S	S	*	.	S	Bend	trans	-55	-24.1	-179.3	0	0	0	0	0	113.9
56	L	50.4	Low	66.4	Low	116 Å²	116	86.1 Å²	86.1	61%	0.607	48%	0.478	S	S	*	.	S	Bend	trans	-121.7	126.2	176.9	-65.9	172.2	0	0	0	110.9	R54 G58 L59	R54-L56 PolarHBondContact O-N 2.97Å; L56-G58 PolarHBondContact O-N 2.81Å; L56-L59 PolarHBondContact O-N 3.12Å
57	P	50.1	Low	66.1	Low	96 Å²	96	87.9 Å²	87.9	62%	0.623	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	131.2	170	-24.3	33.3	0	0	0	111
58	G	51.1	Low	66.2	Low	62 Å²	62	86.3 Å²	86.3	64%	0.639	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-8.9	177.3	0	0	0	0	0	116.4	L56 R60	L56-G58 PolarHBondContact O-N 2.81Å; G58-R60 PolarHBondContact O-N 3.28Å
59	L	52.7	Low	66.5	Low	115 Å²	115	78 Å²	78	60%	0.602	45%	0.45	S	S	*	.			trans	-76.2	111.9	174.8	-164.8	69.8	0	0	0	110.5	R54 L56	R54-L59 WeakPolarHBondContact CD-O 3.28Å; R54-L59 PolarHBondContact NE-O 3.33Å; R54-L59 PolarHBondContact NH1-O 3.14Å; L56-L59 PolarHBondContact O-N 3.12Å
60	R	60.4	Low	67.2	Low	78 Å²	78	78 Å²	78	29%	0.294	45%	0.449	S	S	.	.			trans	-78.7	145	176.7	-68.8	168.3	172.1	171.3	-9.6	110.3	G58 C64 A65 D68 V69 D70	G58-R60 PolarHBondContact O-N 3.28Å; R60-C64 HydrophobicContact CB-CB 4.03Å; R60-A65 HydrophobicContact CB-CB 4.21Å; R60-D68 IonicContact CZ-OD1 3.51Å; R60-D68 IonicContact NH1-OD1 2.63Å; R60-D68 PolarHBondContact NH1-OD1 2.9Å; R60-D68 PolarHBondContact NH2-O 2.87Å; R60-D68 IonicContact NH2-OD1 3.5Å; R60-D68 PolarHBondContact NH2-OD1 3.02Å; R60-V69 WeakPolarHBondContact CD-O 3.41Å; R60-V69 WeakPolarHBondContact CG-O 3.31Å; R60-V69 PolarHBondContact NE-O 3.36Å; R60-D70 HydrophobicContact CG-CB 4.5Å
61	R	66.3	Low	68.4	Low	157 Å²	157	70.8 Å²	70.8	59%	0.592	41%	0.413	S	S	*	.			trans	-59.6	152.1	167.8	-64.7	-178.1	107.2	-179.8	2.9	109.4	E63 C64 A65	R61-E63 VanDerWaalsContact C-N 3.31Å; R61-E63 PolarHBondContact O-N 3.39Å; R61-C64 CarbonylContact O-C 3.57Å; R61-C64 WeakPolarHBondContact O-CA 3.25Å; R61-C64 WeakPolarHBondContact O-CB 3.43Å; R61-C64 PolarHBondContact O-N 3.4Å; R61-A65 PolarHBondContact O-N 3.49Å
62	A	67.2	Low	69.8	Low	79 Å²	79	70.6 Å²	70.6	65%	0.653	41%	0.411	S	S	*	.	H	α-helix	trans	-50.7	-46.9	-174	0	0	0	0	0	113.4	C64 A65 I66	A62-C64 VanDerWaalsContact C-N 3.33Å; A62-C64 PolarHBondContact O-N 2.84Å; A62-A65 PolarHBondContact O-N 2.84Å; A62-I66 WeakPolarHBondContact O-CG1 3.45Å; A62-I66 PolarHBondContact O-N 3.41Å; A62-I66 VanDerWaalsContact O-N 3.15Å
63	E	68.9	Low	71.4	Confident	128 Å²	128	69.3 Å²	69.3	60%	0.598	40%	0.398	S	S	*	.	H	α-helix	trans	-60.9	-39.8	175.5	-65.9	174.5	176.8	0	0	112.5	R61 I66 H67	R61-E63 VanDerWaalsContact C-N 3.31Å; R61-E63 PolarHBondContact O-N 3.39Å; E63-I66 PolarHBondContact O-N 3.08Å; E63-H67 PolarHBondContact O-CD2 3.43Å
64	C	72.9	Confident	73.1	Confident	4 Å²	4	66.3 Å²	66.3	3%	0.027	38%	0.377	C	S	.	.	H	α-helix	trans	-69.8	-35.3	178	-64.7	0	0	0	0	112.1	R60 R61 A62 H67 D68 V69 C71	R60-C64 HydrophobicContact CB-CB 4.03Å; R61-C64 CarbonylContact O-C 3.57Å; R61-C64 WeakPolarHBondContact O-CA 3.25Å; R61-C64 WeakPolarHBondContact O-CB 3.43Å; R61-C64 PolarHBondContact O-N 3.4Å; A62-C64 VanDerWaalsContact C-N 3.33Å; A62-C64 PolarHBondContact O-N 2.84Å; C64-H67 PolarHBondContact O-N 2.89Å; C64-D68 PolarHBondContact O-N 2.92Å; C64-D68 VanDerWaalsContact O-N 3.17Å; C64-V69 HydrophobicContact CB-CG2 4.01Å; C64-V69 WeakPolarHBondContact CB-O 3.28Å; C64-V69 PolarHBondContact O-N 3.45Å; C64-C71 PolarHBondContact SG-O 3.04Å
65	A	74	Confident	74.9	Confident	56 Å²	56	67.8 Å²	67.8	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-65	-40.7	176.9	0	0	0	0	0	111.8	R60 R61 A62 H67 D68	R60-A65 HydrophobicContact CB-CB 4.21Å; R61-A65 PolarHBondContact O-N 3.49Å; A62-A65 PolarHBondContact O-N 2.84Å; A65-H67 PolarHBondContact O-N 3.46Å; A65-D68 PolarHBondContact O-N 3.24Å
66	I	78.6	Confident	77.2	Confident	135 Å²	135	67.9 Å²	67.9	69%	0.692	38%	0.376	S	S	*	.	H	α-helix	trans	-59.7	-34	176.6	-67	165.2	0	0	0	111.6	A62 E63	A62-I66 WeakPolarHBondContact O-CG1 3.45Å; A62-I66 PolarHBondContact O-N 3.41Å; A62-I66 VanDerWaalsContact O-N 3.15Å; E63-I66 PolarHBondContact O-N 3.08Å
67	H	82.4	Confident	79.3	Confident	52 Å²	52	62.9 Å²	62.9	24%	0.241	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1.7	-176.9	-67.8	-61.3	0	0	0	114.5	E63 C64 A65 V69 N88 Y91 L94	E63-H67 PolarHBondContact O-CD2 3.43Å; C64-H67 PolarHBondContact O-N 2.89Å; A65-H67 PolarHBondContact O-N 3.46Å; H67-V69 HydrophobicContact CB-CG1 4.12Å; H67-V69 HydrophobicContact CB-CG2 4.03Å; H67-V69 WeakPolarHBondContact O-CG1 3.27Å; H67-V69 PolarHBondContact O-N 3.18Å; H67-N88 PolarHBondContact O-ND2 2.87Å; H67-Y91 HydrophobicContact CB-CD2 3.98Å; H67-Y91 HydrophobicContact CB-CG 4.41Å; H67-Y91 AromaticContact CD2-CD2 3.51Å; H67-Y91 AromaticContact CG-CD2 3.81Å; H67-L94 VanDerWaalsContact NE2-CD2 3.32Å; H67-L94 WeakPolarHBondContact NE2-CD2 3.42Å
68	D	88.8	Confident	81.7	Confident	109 Å²	109	58.3 Å²	58.3	58%	0.583	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.4	-174.4	-167.3	35.5	0	0	0	113.3	R60 C64 A65	R60-D68 IonicContact CZ-OD1 3.51Å; R60-D68 IonicContact NH1-OD1 2.63Å; R60-D68 PolarHBondContact NH1-OD1 2.9Å; R60-D68 PolarHBondContact NH2-O 2.87Å; R60-D68 IonicContact NH2-OD1 3.5Å; R60-D68 PolarHBondContact NH2-OD1 3.02Å; C64-D68 PolarHBondContact O-N 2.92Å; C64-D68 VanDerWaalsContact O-N 3.17Å; A65-D68 PolarHBondContact O-N 3.24Å
69	V	91.7	Very high	83.9	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	29%	0.294	C	S	.	.			trans	-118.2	155.6	-178.1	-56.8	0	0	0	0	111.6	R60 C64 H67 A84 A85 N88 Y91	R60-V69 WeakPolarHBondContact CD-O 3.41Å; R60-V69 WeakPolarHBondContact CG-O 3.31Å; R60-V69 PolarHBondContact NE-O 3.36Å; C64-V69 HydrophobicContact CB-CG2 4.01Å; C64-V69 WeakPolarHBondContact CB-O 3.28Å; C64-V69 PolarHBondContact O-N 3.45Å; H67-V69 HydrophobicContact CB-CG1 4.12Å; H67-V69 HydrophobicContact CB-CG2 4.03Å; H67-V69 WeakPolarHBondContact O-CG1 3.27Å; H67-V69 PolarHBondContact O-N 3.18Å; V69-A84 HydrophobicContact CG1-CB 4.36Å; V69-A85 HydrophobicContact CB-CB 4Å; V69-A85 HydrophobicContact CG1-CB 4.35Å; V69-N88 HydrophobicContact CG1-CB 4.07Å; V69-Y91 HydrophobicContact CG1-CD1 4.32Å; V69-Y91 HydrophobicContact CG1-CG 4.42Å; V69-Y91 HydrophobicContact CG2-CD1 4.05Å; V69-Y91 HydrophobicContact CG2-CD2 4.11Å; V69-Y91 HydrophobicContact CG2-CE1 3.82Å; V69-Y91 HydrophobicContact CG2-CE2 3.86Å; V69-Y91 HydrophobicContact CG2-CG 4.19Å
70	D	92.2	Very high	86.1	Confident	19 Å²	19	50.3 Å²	50.3	10%	0.102	27%	0.265	C	S	.	.			trans	-116.6	107.4	167.1	-174.9	19.3	0	0	0	110.9	R54 R60 G81 D82 R208	R54-D70 IonicContact CZ-OD1 3.07Å; R54-D70 IonicContact NH1-OD1 3.74Å; R54-D70 PolarHBondContact NH1-OD1 3.41Å; R54-D70 IonicContact NH1-OD2 2.75Å; R54-D70 IonicContact NH2-OD1 2.91Å; R54-D70 PolarHBondContact NH2-OD1 2.86Å; R60-D70 HydrophobicContact CG-CB 4.5Å; D70-G81 CarbonylContact O-C 3.57Å; D70-G81 WeakPolarHBondContact O-CA 3.35Å; D70-D82 HydrophobicContact CB-CB 4.25Å; D70-D82 WeakPolarHBondContact CB-OD2 3.43Å; D70-D82 PolarHBondContact N-OD1 3.06Å; D70-D82 VanDerWaalsContact N-OD1 3.17Å; D70-D82 PolarHBondContact N-OD2 3.49Å; D70-D82 PolarHBondContact O-N 3.22Å; D70-R208 IonicContact OD1-CZ 3.81Å; D70-R208 IonicContact OD1-NH1 3.94Å; D70-R208 PolarHBondContact OD1-NH1 3.44Å; D70-R208 IonicContact OD1-NH2 3.53Å; D70-R208 IonicContact OD2-CZ 2.7Å; D70-R208 IonicContact OD2-NH1 2.88Å; D70-R208 PolarHBondContact OD2-NH1 3.2Å; D70-R208 VanDerWaalsContact OD2-NH1 3.14Å; D70-R208 IonicContact OD2-NH2 2.66Å; D70-R208 PolarHBondContact OD2-NH2 3.48Å
71	C	94.2	Very high	87.8	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.034	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	135.9	-175.9	-175.3	0	0	0	0	111.4	C64 I80 A85 Y91	C64-C71 PolarHBondContact SG-O 3.04Å; C71-I80 CarbonylContact C-O 3.59Å; C71-I80 VanDerWaalsContact CA-O 3.29Å; C71-I80 WeakPolarHBondContact CA-O 3.2Å; C71-A85 HydrophobicContact CB-CB 3.94Å; C71-Y91 HydrophobicContact CB-CE1 4.01Å
72	D	93.8	Very high	89.3	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.043	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.5	178.5	-56.9	-69.7	0	0	0	111.9	R54 V74 Y79 I80 R208	R54-D72 IonicContact CZ-OD1 3.14Å; R54-D72 VanDerWaalsContact CZ-OD1 3.29Å; R54-D72 IonicContact CZ-OD2 3.25Å; R54-D72 IonicContact NE-OD1 3.87Å; R54-D72 PolarHBondContact NE-OD1 2.85Å; R54-D72 VanDerWaalsContact NE-OD1 3.14Å; R54-D72 IonicContact NE-OD2 2.77Å; R54-D72 PolarHBondContact NE-OD2 3.41Å; R54-D72 IonicContact NH1-OD2 3.79Å; R54-D72 IonicContact NH2-OD1 3.08Å; R54-D72 PolarHBondContact NH2-OD1 2.97Å; R54-D72 IonicContact NH2-OD2 3.29Å; R54-D72 PolarHBondContact NH2-OD2 3.11Å; D72-V74 HydrophobicContact CB-CG1 4.48Å; D72-V74 PolarHBondContact O-N 3.11Å; D72-Y79 CarbonylContact O-C 3.47Å; D72-Y79 VanDerWaalsContact O-CA 3.25Å; D72-Y79 WeakPolarHBondContact O-CA 3.49Å; D72-I80 PolarHBondContact N-O 3.2Å; D72-I80 PolarHBondContact O-N 3.21Å; D72-R208 HydrophobicContact CB-CB 4.2Å; D72-R208 WeakPolarHBondContact OD2-CG 3.38Å; D72-R208 IonicContact OD2-CZ 3.95Å; D72-R208 IonicContact OD2-NH1 3.39Å; D72-R208 PolarHBondContact OD2-NH1 3.01Å
73	E	95.6	Very high	90.7	Very high	54 Å²	54	37.1 Å²	37.1	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	104.3	168	-165.2	167.7	-177.4	0	0	109.9	Y75 P76 G77 I78 Y79 R207	E73-Y75 WeakPolarHBondContact CG-O 3.35Å; E73-P76 WeakPolarHBondContact OE1-CA 3.31Å; E73-G77 PolarHBondContact OE1-N 2.95Å; E73-I78 WeakPolarHBondContact CA-O 3.26Å; E73-Y79 HydrophobicContact CB-CD1 3.79Å; E73-Y79 HydrophobicContact CB-CE1 3.48Å; E73-Y79 VanDerWaalsContact CB-CE1 3.48Å; E73-Y79 HydrophobicContact CB-CG 4.45Å; E73-Y79 HydrophobicContact CG-CD1 4.34Å; E73-Y79 HydrophobicContact CG-CE1 3.94Å; E73-Y79 HydrophobicContact CG-CE2 4.13Å; E73-Y79 PolarHBondContact OE2-OH 3.33Å; E73-R207 PolarHBondContact O-NH1 2.8Å
74	V	95.6	Very high	92.1	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-19.7	-175.4	-60.8	0	0	0	0	113	D72 I78 I80 V185 V204 R207 R208	D72-V74 HydrophobicContact CB-CG1 4.48Å; D72-V74 PolarHBondContact O-N 3.11Å; V74-I78 HydrophobicContact CG2-CG2 4.26Å; V74-I78 PolarHBondContact N-O 3.23Å; V74-I80 HydrophobicContact CB-CD1 4.43Å; V74-I80 HydrophobicContact CG1-CB 4.23Å; V74-I80 HydrophobicContact CG1-CD1 4.04Å; V74-I80 HydrophobicContact CG1-CG1 4.18Å; V74-I80 HydrophobicContact CG2-CD1 3.77Å; V74-I80 HydrophobicContact CG2-CG1 3.78Å; V74-V185 HydrophobicContact CG2-CG1 4.01Å; V74-V204 HydrophobicContact CB-CG1 4.03Å; V74-V204 HydrophobicContact CB-CG2 4.42Å; V74-V204 HydrophobicContact CG1-CG1 4.03Å; V74-V204 HydrophobicContact CG2-CG1 4.44Å; V74-V204 HydrophobicContact CG2-CG2 4.42Å; V74-R207 HydrophobicContact CB-CB 4.29Å; V74-R207 HydrophobicContact CG1-CB 4.15Å; V74-R208 HydrophobicContact CG1-CB 3.82Å
75	Y	97	Very high	93.2	Very high	58 Å²	58	32.6 Å²	32.6	23%	0.227	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	151.7	174.3	-165	-98.7	0	0	0	107.8	E73 G77 I78 L189 R193 M195 T203	E73-Y75 WeakPolarHBondContact CG-O 3.35Å; Y75-G77 PolarHBondContact O-N 3.35Å; Y75-G77 VanDerWaalsContact O-N 3.08Å; Y75-I78 HydrophobicContact CD1-CD1 3.98Å; Y75-I78 PolarHBondContact N-O 2.89Å; Y75-I78 WeakPolarHBondContact O-CA 3.34Å; Y75-I78 PolarHBondContact O-N 3.37Å; Y75-I78 VanDerWaalsContact O-O 3.13Å; Y75-L189 HydrophobicContact CD1-CD2 4.12Å; Y75-L189 HydrophobicContact CD2-CD2 3.78Å; Y75-L189 HydrophobicContact CE1-CD2 4.35Å; Y75-L189 HydrophobicContact CE2-CD2 4.03Å; Y75-L189 HydrophobicContact CG-CD2 3.83Å; Y75-R193 HydrophobicContact CE1-CG 4.28Å; Y75-M195 HydrophobicContact CE2-CE 3.87Å; Y75-T203 HydrophobicContact CD2-CG2 3.82Å; Y75-T203 HydrophobicContact CE2-CG2 4.31Å
76	P	96.5	Very high	94.4	Very high	91 Å²	91	30 Å²	30	59%	0.591	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	118.7	-177	-31.7	36.6	0	0	0	113.7	E73 I78	E73-P76 WeakPolarHBondContact OE1-CA 3.31Å; P76-I78 VanDerWaalsContact C-N 3.29Å; P76-I78 PolarHBondContact O-N 3.3Å
77	G	96.3	Very high	95.3	Very high	11 Å²	11	28.2 Å²	28.2	11%	0.113	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-2.5	-178.1	0	0	0	0	0	115.9	E73 Y75 K169 I170	E73-G77 PolarHBondContact OE1-N 2.95Å; Y75-G77 PolarHBondContact O-N 3.35Å; Y75-G77 VanDerWaalsContact O-N 3.08Å; G77-K169 CarbonylContact O-C 3.16Å; G77-K169 WeakPolarHBondContact O-CA 3.25Å; G77-I170 PolarHBondContact O-N 3.44Å
78	I	98.6	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.6	-176.7	-53.7	177.4	0	0	0	109.9	E73 V74 Y75 P76 I160 I164 I170 V185 Y188	E73-I78 WeakPolarHBondContact CA-O 3.26Å; V74-I78 HydrophobicContact CG2-CG2 4.26Å; V74-I78 PolarHBondContact N-O 3.23Å; Y75-I78 HydrophobicContact CD1-CD1 3.98Å; Y75-I78 PolarHBondContact N-O 2.89Å; Y75-I78 WeakPolarHBondContact O-CA 3.34Å; Y75-I78 PolarHBondContact O-N 3.37Å; Y75-I78 VanDerWaalsContact O-O 3.13Å; P76-I78 VanDerWaalsContact C-N 3.29Å; P76-I78 PolarHBondContact O-N 3.3Å; I78-I160 HydrophobicContact CD1-CG2 3.68Å; I78-I160 HydrophobicContact CG1-CG2 4.2Å; I78-I164 HydrophobicContact CD1-CD1 4.43Å; I78-I164 HydrophobicContact CD1-CG1 4.3Å; I78-I164 HydrophobicContact CG1-CD1 3.71Å; I78-I164 HydrophobicContact CG1-CG1 4.09Å; I78-I170 HydrophobicContact CB-CG2 4.31Å; I78-I170 HydrophobicContact CG1-CG2 4Å; I78-I170 HydrophobicContact CG2-CG2 4.28Å; I78-V185 HydrophobicContact CG2-CG1 4.1Å; I78-V185 HydrophobicContact CG2-CG2 3.94Å; I78-Y188 HydrophobicContact CD1-CD1 3.74Å; I78-Y188 HydrophobicContact CD1-CE1 3.15Å
79	Y	98.5	Very high	96.3	Very high	9 Å²	9	24.4 Å²	24.4	4%	0.035	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.9	-180	-63	-101.1	0	0	0	109.8	D72 E73 M95 I97 K169 I170 V172	D72-Y79 CarbonylContact O-C 3.47Å; D72-Y79 VanDerWaalsContact O-CA 3.25Å; D72-Y79 WeakPolarHBondContact O-CA 3.49Å; E73-Y79 HydrophobicContact CB-CD1 3.79Å; E73-Y79 HydrophobicContact CB-CE1 3.48Å; E73-Y79 VanDerWaalsContact CB-CE1 3.48Å; E73-Y79 HydrophobicContact CB-CG 4.45Å; E73-Y79 HydrophobicContact CG-CD1 4.34Å; E73-Y79 HydrophobicContact CG-CE1 3.94Å; E73-Y79 HydrophobicContact CG-CE2 4.13Å; E73-Y79 PolarHBondContact OE2-OH 3.33Å; Y79-M95 HydrophobicContact CD1-CE 4.34Å; Y79-M95 HydrophobicContact CE1-CE 3.6Å; Y79-I97 HydrophobicContact CD2-CD1 3.75Å; Y79-I97 HydrophobicContact CE2-CD1 4.2Å; Y79-I97 HydrophobicContact CG-CD1 4.18Å; Y79-K169 HydrophobicContact CE2-CB 4.1Å; Y79-K169 HydrophobicContact CE2-CD 3.87Å; Y79-K169 HydrophobicContact CE2-CG 4.2Å; Y79-K169 PolarHBondContact OH-NZ 3.02Å; Y79-K169 VanDerWaalsContact OH-NZ 3.13Å; Y79-I170 PolarHBondContact N-O 3.15Å; Y79-V172 PolarHBondContact O-N 2.94Å
80	I	98.3	Very high	96.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.9	165.9	-64.9	176.1	0	0	0	108.3	C71 D72 V74 V172 G177 A182 V185 V204	C71-I80 CarbonylContact C-O 3.59Å; C71-I80 VanDerWaalsContact CA-O 3.29Å; C71-I80 WeakPolarHBondContact CA-O 3.2Å; D72-I80 PolarHBondContact N-O 3.2Å; D72-I80 PolarHBondContact O-N 3.21Å; V74-I80 HydrophobicContact CB-CD1 4.43Å; V74-I80 HydrophobicContact CG1-CB 4.23Å; V74-I80 HydrophobicContact CG1-CD1 4.04Å; V74-I80 HydrophobicContact CG1-CG1 4.18Å; V74-I80 HydrophobicContact CG2-CD1 3.77Å; V74-I80 HydrophobicContact CG2-CG1 3.78Å; I80-V172 VanDerWaalsContact CA-O 3.31Å; I80-V172 WeakPolarHBondContact CA-O 3.4Å; I80-G177 WeakPolarHBondContact CG2-O 3.24Å; I80-A182 HydrophobicContact CD1-CB 4.21Å; I80-V185 HydrophobicContact CD1-CB 4.01Å; I80-V185 HydrophobicContact CD1-CG1 4.28Å; I80-V185 HydrophobicContact CD1-CG2 3.92Å; I80-V185 HydrophobicContact CG1-CB 4.45Å; I80-V185 HydrophobicContact CG1-CG2 3.82Å; I80-V204 HydrophobicContact CD1-CG1 4Å
81	G	96.7	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	178.2	176.9	0	0	0	0	0	115.4	D70 V172 H173 G177	D70-G81 CarbonylContact O-C 3.57Å; D70-G81 WeakPolarHBondContact O-CA 3.35Å; G81-V172 PolarHBondContact N-O 2.93Å; G81-H173 VanDerWaalsContact O-CA 3.32Å; G81-H173 WeakPolarHBondContact O-CA 3.15Å; G81-H173 VanDerWaalsContact O-CB 3.23Å; G81-H173 WeakPolarHBondContact O-CB 3.47Å; G81-G177 WeakPolarHBondContact O-CA 3.15Å
82	D	96.9	Very high	96.7	Very high	20 Å²	20	28 Å²	28	11%	0.107	16%	0.155	C	C	.	.			trans	-90.8	-179.4	178.3	70.1	-7.6	0	0	0	113	D70 A84 A85 A86 C174	D70-D82 HydrophobicContact CB-CB 4.25Å; D70-D82 WeakPolarHBondContact CB-OD2 3.43Å; D70-D82 PolarHBondContact N-OD1 3.06Å; D70-D82 VanDerWaalsContact N-OD1 3.17Å; D70-D82 PolarHBondContact N-OD2 3.49Å; D70-D82 PolarHBondContact O-N 3.22Å; D82-A84 VanDerWaalsContact C-N 3.26Å; D82-A84 PolarHBondContact O-N 3.16Å; D82-A84 PolarHBondContact OD1-N 2.95Å; D82-A85 PolarHBondContact O-N 3.02Å; D82-A85 WeakPolarHBondContact OD1-CB 3.22Å; D82-A85 PolarHBondContact OD1-N 3.49Å; D82-A86 PolarHBondContact O-N 3.23Å; D82-C174 CarbonylContact C-O 3.59Å
83	A	97.8	Very high	96.7	Very high	16 Å²	16	32.4 Å²	32.4	13%	0.132	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-32.1	177.2	0	0	0	0	0	112.7	A86 K87 V112 C174 L175	A83-A86 PolarHBondContact O-N 2.65Å; A83-K87 WeakPolarHBondContact O-CB 3.46Å; A83-K87 WeakPolarHBondContact O-CG 3.39Å; A83-K87 PolarHBondContact O-N 2.96Å; A83-V112 HydrophobicContact CB-CG1 3.95Å; A83-V112 HydrophobicContact CB-CG2 3.69Å; A83-C174 PolarHBondContact N-O 3.36Å; A83-L175 HydrophobicContact CB-CD1 4.14Å; A83-L175 PolarHBondContact N-O 3.47Å
84	A	97	Very high	96.6	Very high	38 Å²	38	35.3 Å²	35.3	31%	0.314	19%	0.188	S	C	.	.	H	α-helix	trans	-65.5	-46.4	177.7	0	0	0	0	0	110.8	V69 D82 A86 K87 N88	V69-A84 HydrophobicContact CG1-CB 4.36Å; D82-A84 VanDerWaalsContact C-N 3.26Å; D82-A84 PolarHBondContact O-N 3.16Å; D82-A84 PolarHBondContact OD1-N 2.95Å; A84-A86 VanDerWaalsContact C-N 3.32Å; A84-A86 PolarHBondContact O-N 3.16Å; A84-K87 PolarHBondContact O-N 2.88Å; A84-N88 WeakPolarHBondContact O-CB 3.26Å; A84-N88 PolarHBondContact O-N 3.04Å
85	A	97	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.9	-46.2	173.7	0	0	0	0	0	111.9	V69 C71 D82 K87 N88 Y91 L92 L171	V69-A85 HydrophobicContact CB-CB 4Å; V69-A85 HydrophobicContact CG1-CB 4.35Å; C71-A85 HydrophobicContact CB-CB 3.94Å; D82-A85 PolarHBondContact O-N 3.02Å; D82-A85 WeakPolarHBondContact OD1-CB 3.22Å; D82-A85 PolarHBondContact OD1-N 3.49Å; A85-K87 PolarHBondContact O-N 3.36Å; A85-N88 PolarHBondContact O-N 3.44Å; A85-Y91 HydrophobicContact CB-CE1 4.33Å; A85-L92 WeakPolarHBondContact O-CD2 3.39Å; A85-L171 HydrophobicContact CB-CD2 4.45Å
86	A	98.1	Very high	96.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-35.7	-179.1	0	0	0	0	0	113.5	D82 A83 A84 Y119 L171 H173	D82-A86 PolarHBondContact O-N 3.23Å; A83-A86 PolarHBondContact O-N 2.65Å; A84-A86 VanDerWaalsContact C-N 3.32Å; A84-A86 PolarHBondContact O-N 3.16Å; A86-Y119 PolarHBondContact O-OH 3.07Å; A86-L171 HydrophobicContact CB-CD2 4.27Å; A86-H173 HydrophobicContact CB-CB 4.32Å; A86-H173 VanDerWaalsContact CB-CD2 3.49Å; A86-H173 WeakPolarHBondContact CB-CD2 3.21Å; A86-H173 WeakPolarHBondContact CB-CE1 3.49Å; A86-H173 VanDerWaalsContact CB-CG 3.5Å; A86-H173 WeakPolarHBondContact CB-ND1 3.49Å; A86-H173 WeakPolarHBondContact CB-NE2 3.31Å
87	K	97.7	Very high	96.3	Very high	99 Å²	99	30.1 Å²	30.1	43%	0.43	16%	0.16	S	C	.	.	H	α-helix	trans	-80.3	-23.6	179	-71.5	-179	176.1	-172.8	0	112.3	A83 A84 A85 K89 T114 Y118	A83-K87 WeakPolarHBondContact O-CB 3.46Å; A83-K87 WeakPolarHBondContact O-CG 3.39Å; A83-K87 PolarHBondContact O-N 2.96Å; A84-K87 PolarHBondContact O-N 2.88Å; A85-K87 PolarHBondContact O-N 3.36Å; K87-K89 PolarHBondContact O-N 3.02Å; K87-T114 HydrophobicContact CG-CG2 3.97Å; K87-Y118 WeakPolarHBondContact CA-OH 3.47Å; K87-Y118 PolarHBondContact O-OH 3Å
88	N	96.8	Very high	96.3	Very high	40 Å²	40	29.7 Å²	29.7	21%	0.214	16%	0.155	C	C	.	.			trans	-82.5	83.9	-178.4	-168.5	-23.4	0	0	0	112.5	H67 V69 A84 A85 T90 Y91 L92	H67-N88 PolarHBondContact O-ND2 2.87Å; V69-N88 HydrophobicContact CG1-CB 4.07Å; A84-N88 WeakPolarHBondContact O-CB 3.26Å; A84-N88 PolarHBondContact O-N 3.04Å; A85-N88 PolarHBondContact O-N 3.44Å; N88-T90 VanDerWaalsContact C-N 3.26Å; N88-T90 PolarHBondContact O-N 3.46Å; N88-T90 PolarHBondContact OD1-N 2.73Å; N88-Y91 VanDerWaalsContact CG-CB 3.42Å; N88-Y91 WeakPolarHBondContact O-CB 3.46Å; N88-Y91 PolarHBondContact O-N 3.03Å; N88-Y91 VanDerWaalsContact O-N 3.13Å; N88-Y91 WeakPolarHBondContact OD1-CB 3.4Å; N88-Y91 PolarHBondContact OD1-N 3Å; N88-L92 WeakPolarHBondContact O-CG 3.3Å; N88-L92 PolarHBondContact O-N 2.7Å
89	K	96.4	Very high	96.3	Very high	41 Å²	41	29.8 Å²	29.8	18%	0.178	16%	0.156	C	C	.	.	H	α-helix	trans	-59.6	-33.1	179.2	-65.2	-178.7	-172.3	171.8	0	113.9	K87 Y91 L92 R93 Y118 D121 M122	K87-K89 PolarHBondContact O-N 3.02Å; K89-Y91 VanDerWaalsContact C-N 3.35Å; K89-L92 PolarHBondContact O-N 3.27Å; K89-R93 WeakPolarHBondContact O-CB 3.48Å; K89-R93 VanDerWaalsContact O-CG 3.29Å; K89-R93 WeakPolarHBondContact O-CG 3.28Å; K89-R93 PolarHBondContact O-N 3.29Å; K89-Y118 HydrophobicContact CD-CE1 4.41Å; K89-Y118 VanDerWaalsContact CE-CE1 3.46Å; K89-Y118 WeakPolarHBondContact CE-O 3.37Å; K89-Y118 HydrophobicContact CG-CE1 4.09Å; K89-Y118 PolarHBondContact NZ-O 3.16Å; K89-D121 WeakPolarHBondContact CE-OD1 3.46Å; K89-D121 IonicContact NZ-OD1 3.65Å; K89-D121 PolarHBondContact NZ-OD1 3.1Å; K89-D121 IonicContact NZ-OD2 2.67Å; K89-M122 HydrophobicContact CB-SD 4.05Å; K89-M122 HydrophobicContact CD-SD 4.33Å; K89-M122 HydrophobicContact CG-SD 4.14Å
90	T	95	Very high	96.3	Very high	95 Å²	95	29.4 Å²	29.4	58%	0.583	15%	0.154	S	C	*	.	H	α-helix	trans	-61.9	-46.3	175.8	-58.4	0	0	0	0	110.3	N88 R93 L94	N88-T90 VanDerWaalsContact C-N 3.26Å; N88-T90 PolarHBondContact O-N 3.46Å; N88-T90 PolarHBondContact OD1-N 2.73Å; T90-R93 PolarHBondContact O-N 3.07Å; T90-L94 WeakPolarHBondContact O-CB 3.28Å; T90-L94 PolarHBondContact O-N 3.47Å
91	Y	95.1	Very high	96.3	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-45.1	173.4	175.8	-106	0	0	0	112.1	H67 V69 C71 A85 N88 K89 R93 L94 M95	H67-Y91 HydrophobicContact CB-CD2 3.98Å; H67-Y91 HydrophobicContact CB-CG 4.41Å; H67-Y91 AromaticContact CD2-CD2 3.51Å; H67-Y91 AromaticContact CG-CD2 3.81Å; V69-Y91 HydrophobicContact CG1-CD1 4.32Å; V69-Y91 HydrophobicContact CG1-CG 4.42Å; V69-Y91 HydrophobicContact CG2-CD1 4.05Å; V69-Y91 HydrophobicContact CG2-CD2 4.11Å; V69-Y91 HydrophobicContact CG2-CE1 3.82Å; V69-Y91 HydrophobicContact CG2-CE2 3.86Å; V69-Y91 HydrophobicContact CG2-CG 4.19Å; C71-Y91 HydrophobicContact CB-CE1 4.01Å; A85-Y91 HydrophobicContact CB-CE1 4.33Å; N88-Y91 VanDerWaalsContact CG-CB 3.42Å; N88-Y91 WeakPolarHBondContact O-CB 3.46Å; N88-Y91 PolarHBondContact O-N 3.03Å; N88-Y91 VanDerWaalsContact O-N 3.13Å; N88-Y91 WeakPolarHBondContact OD1-CB 3.4Å; N88-Y91 PolarHBondContact OD1-N 3Å; K89-Y91 VanDerWaalsContact C-N 3.35Å; Y91-R93 VanDerWaalsContact C-N 3.31Å; Y91-R93 PolarHBondContact O-N 2.77Å; Y91-L94 WeakPolarHBondContact O-CB 3.26Å; Y91-L94 PolarHBondContact O-N 2.83Å; Y91-M95 HydrophobicContact CD1-CG 4.32Å; Y91-M95 HydrophobicContact CD2-CG 4.01Å; Y91-M95 HydrophobicContact CE1-CG 3.88Å; Y91-M95 HydrophobicContact CE2-CG 3.56Å; Y91-M95 HydrophobicContact CE2-SD 3.84Å; Y91-M95 HydrophobicContact CG-CG 4.38Å; Y91-M95 VanDerWaalsContact CZ-CG 3.48Å; Y91-M95 WeakPolarHBondContact O-CG 3.41Å; Y91-M95 PolarHBondContact O-N 2.91Å
92	L	95.8	Very high	96.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-59.4	-41.2	177.6	-63.2	-178	0	0	0	112.6	A85 N88 K89 G96 I97 V100 Y119 M122 L171	A85-L92 WeakPolarHBondContact O-CD2 3.39Å; N88-L92 WeakPolarHBondContact O-CG 3.3Å; N88-L92 PolarHBondContact O-N 2.7Å; K89-L92 PolarHBondContact O-N 3.27Å; L92-G96 PolarHBondContact O-N 2.97Å; L92-I97 HydrophobicContact CB-CB 4.24Å; L92-I97 HydrophobicContact CD2-CB 4.29Å; L92-I97 HydrophobicContact CD2-CG1 4.02Å; L92-I97 HydrophobicContact CD2-CG2 4.39Å; L92-I97 PolarHBondContact O-N 2.93Å; L92-V100 HydrophobicContact CD1-CG2 4.24Å; L92-Y119 HydrophobicContact CD1-CD1 4.4Å; L92-Y119 HydrophobicContact CD1-CE1 3.63Å; L92-M122 HydrophobicContact CB-CE 3.9Å; L92-L171 HydrophobicContact CD2-CD2 3.55Å
93	R	94.2	Very high	96.5	Very high	101 Å²	101	28.4 Å²	28.4	38%	0.381	15%	0.149	S	C	.	.	H	α-helix	trans	-64.1	-46.4	175.2	-72.1	171.3	-177.5	151.4	1.4	111.1	K89 T90 Y91 M95 G96 D121 M122	K89-R93 WeakPolarHBondContact O-CB 3.48Å; K89-R93 VanDerWaalsContact O-CG 3.29Å; K89-R93 WeakPolarHBondContact O-CG 3.28Å; K89-R93 PolarHBondContact O-N 3.29Å; T90-R93 PolarHBondContact O-N 3.07Å; Y91-R93 VanDerWaalsContact C-N 3.31Å; Y91-R93 PolarHBondContact O-N 2.77Å; R93-M95 VanDerWaalsContact C-N 3.32Å; R93-M95 PolarHBondContact O-N 2.85Å; R93-G96 PolarHBondContact O-N 2.96Å; R93-D121 PolarHBondContact NH2-O 3.41Å; R93-D121 IonicContact NH2-OD2 3.12Å; R93-D121 PolarHBondContact NH2-OD2 2.86Å; R93-M122 HydrophobicContact CG-CE 3.87Å; R93-M122 HydrophobicContact CG-SD 4.12Å
94	L	92.6	Very high	96.6	Very high	116 Å²	116	27.7 Å²	27.7	61%	0.607	14%	0.143	S	C	*	.	H	α-helix	trans	-57.7	-44.8	177.4	-179.6	67.8	0	0	0	111.8	H67 T90 Y91 G96	H67-L94 VanDerWaalsContact NE2-CD2 3.32Å; H67-L94 WeakPolarHBondContact NE2-CD2 3.42Å; T90-L94 WeakPolarHBondContact O-CB 3.28Å; T90-L94 PolarHBondContact O-N 3.47Å; Y91-L94 WeakPolarHBondContact O-CB 3.26Å; Y91-L94 PolarHBondContact O-N 2.83Å; L94-G96 PolarHBondContact O-N 2.95Å
95	M	93	Very high	96.6	Very high	32 Å²	32	28.3 Å²	28.3	16%	0.158	14%	0.139	C	C	.	.	H	α-helix	trans	-72.3	-11.4	178.8	-65.9	-53.9	-67	0	0	113.4	Y79 Y91 R93 I97 K169	Y79-M95 HydrophobicContact CD1-CE 4.34Å; Y79-M95 HydrophobicContact CE1-CE 3.6Å; Y91-M95 HydrophobicContact CD1-CG 4.32Å; Y91-M95 HydrophobicContact CD2-CG 4.01Å; Y91-M95 HydrophobicContact CE1-CG 3.88Å; Y91-M95 HydrophobicContact CE2-CG 3.56Å; Y91-M95 HydrophobicContact CE2-SD 3.84Å; Y91-M95 HydrophobicContact CG-CG 4.38Å; Y91-M95 VanDerWaalsContact CZ-CG 3.48Å; Y91-M95 WeakPolarHBondContact O-CG 3.41Å; Y91-M95 PolarHBondContact O-N 2.91Å; R93-M95 VanDerWaalsContact C-N 3.32Å; R93-M95 PolarHBondContact O-N 2.85Å; M95-I97 HydrophobicContact CB-CD1 4.41Å; M95-I97 HydrophobicContact CB-CG1 3.95Å; M95-K169 VanDerWaalsContact O-CD 3.31Å; M95-K169 WeakPolarHBondContact O-CD 3.49Å; M95-K169 PolarHBondContact O-NZ 3.21Å
96	G	93.9	Very high	96.6	Very high	8 Å²	8	29.3 Å²	29.3	8%	0.082	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	34.1	-176.2	0	0	0	0	0	112.8	L92 R93 L94 T98	L92-G96 PolarHBondContact O-N 2.97Å; R93-G96 PolarHBondContact O-N 2.96Å; L94-G96 PolarHBondContact O-N 2.95Å; G96-T98 PolarHBondContact O-N 2.88Å
97	I	96.5	Very high	96.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	18%	0.183	C	C	.	.			trans	-68.9	127.3	177.3	-62	-62.7	0	0	0	109.6	Y79 L92 M95 H99 V100 K169 L171	Y79-I97 HydrophobicContact CD2-CD1 3.75Å; Y79-I97 HydrophobicContact CE2-CD1 4.2Å; Y79-I97 HydrophobicContact CG-CD1 4.18Å; L92-I97 HydrophobicContact CB-CB 4.24Å; L92-I97 HydrophobicContact CD2-CB 4.29Å; L92-I97 HydrophobicContact CD2-CG1 4.02Å; L92-I97 HydrophobicContact CD2-CG2 4.39Å; L92-I97 PolarHBondContact O-N 2.93Å; M95-I97 HydrophobicContact CB-CD1 4.41Å; M95-I97 HydrophobicContact CB-CG1 3.95Å; I97-H99 WeakPolarHBondContact CG2-O 3.26Å; I97-V100 HydrophobicContact CG2-CG2 4Å; I97-K169 HydrophobicContact CD1-CB 4.07Å; I97-L171 HydrophobicContact CD1-CB 4.3Å; I97-L171 HydrophobicContact CG2-CB 4.06Å
98	T	96.6	Very high	96.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.198	C	C	.	.			trans	-109.6	-21.2	-179.2	55.8	0	0	0	0	112.6	G96 I125 C132 F134 R135 G168 K169	G96-T98 PolarHBondContact O-N 2.88Å; T98-I125 HydrophobicContact CG2-CB 4.22Å; T98-I125 HydrophobicContact CG2-CD1 4.07Å; T98-I125 HydrophobicContact CG2-CG1 4.47Å; T98-C132 HydrophobicContact CG2-CB 3.82Å; T98-F134 CarbonylContact O-C 3.57Å; T98-F134 VanDerWaalsContact O-CA 3.24Å; T98-F134 WeakPolarHBondContact O-CA 3.28Å; T98-R135 PolarHBondContact O-N 3.21Å; T98-G168 VanDerWaalsContact OG1-CA 3.27Å; T98-G168 WeakPolarHBondContact OG1-CA 3.48Å; T98-K169 PolarHBondContact N-O 3.06Å; T98-K169 PolarHBondContact OG1-N 3.47Å; T98-K169 PolarHBondContact OG1-O 3.25Å
99	H	98.1	Very high	96.3	Very high	3 Å²	3	48 Å²	48	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.2	-177.6	-65.7	70.6	0	0	0	109.3	I97 R135 F159 A163 K169 I170 L171	I97-H99 WeakPolarHBondContact CG2-O 3.26Å; H99-R135 CarbonylContact C-O 3.57Å; H99-R135 VanDerWaalsContact CA-O 3.29Å; H99-R135 WeakPolarHBondContact CA-O 3.34Å; H99-F159 HydrophobicContact CB-CE1 4.19Å; H99-F159 HydrophobicContact CB-CZ 4.23Å; H99-F159 AromaticContact CD2-CZ 3.97Å; H99-A163 HydrophobicContact CB-CB 3.73Å; H99-A163 WeakPolarHBondContact ND1-CB 3.5Å; H99-K169 PolarHBondContact N-O 3.42Å; H99-I170 HydrophobicContact CB-CB 3.88Å; H99-I170 HydrophobicContact CB-CD1 3.96Å; H99-I170 HydrophobicContact CB-CG1 3.76Å; H99-I170 VanDerWaalsContact O-CA 3.31Å; H99-I170 WeakPolarHBondContact O-CA 3.06Å; H99-L171 PolarHBondContact O-N 2.81Å
100	V	98.8	Very high	96.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.6	172	172.9	0	0	0	0	109.2	L92 I97 Y119 F134 R135 Y136 M137 L171	L92-V100 HydrophobicContact CD1-CG2 4.24Å; I97-V100 HydrophobicContact CG2-CG2 4Å; V100-Y119 HydrophobicContact CB-CE2 4.39Å; V100-Y119 HydrophobicContact CG1-CE2 4.05Å; V100-Y119 HydrophobicContact CG2-CE1 4.44Å; V100-F134 HydrophobicContact CB-CZ 4.1Å; V100-F134 HydrophobicContact CG2-CE1 4.48Å; V100-F134 HydrophobicContact CG2-CE2 4.09Å; V100-F134 HydrophobicContact CG2-CZ 3.51Å; V100-R135 PolarHBondContact N-O 3.13Å; V100-Y136 HydrophobicContact CB-CD2 4.17Å; V100-Y136 HydrophobicContact CG1-CD2 4.03Å; V100-Y136 HydrophobicContact CG1-CE2 4.22Å; V100-Y136 WeakPolarHBondContact O-CA 3.4Å; V100-M137 PolarHBondContact O-N 3.42Å; V100-L171 CarbonylContact C-O 3.56Å; V100-L171 WeakPolarHBondContact CA-O 3.31Å; V100-L171 HydrophobicContact CG2-CB 4.37Å
101	L	98.9	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113	167.6	-170.8	146.1	0	0	0	109.2	A103 M137 F139 A156 F159 I170 L171 V172 H173	L101-A103 HydrophobicContact CD2-CB 4.07Å; L101-M137 CarbonylContact C-O 3.55Å; L101-M137 VanDerWaalsContact CA-O 3.27Å; L101-M137 WeakPolarHBondContact CA-O 3.47Å; L101-F139 HydrophobicContact CD1-CE2 3.86Å; L101-F139 HydrophobicContact CD1-CZ 4.26Å; L101-F139 HydrophobicContact CD2-CD2 4.17Å; L101-F139 HydrophobicContact CD2-CE2 4Å; L101-F139 HydrophobicContact CG-CE2 4.17Å; L101-A156 HydrophobicContact CD1-CB 4.01Å; L101-F159 HydrophobicContact CB-CD1 4.04Å; L101-F159 HydrophobicContact CB-CE1 4.05Å; L101-F159 HydrophobicContact CD1-CB 4.39Å; L101-F159 HydrophobicContact CD1-CD1 3.77Å; L101-F159 HydrophobicContact CD1-CG 4.46Å; L101-F159 HydrophobicContact CG-CD1 4.39Å; L101-I170 HydrophobicContact CB-CD1 4.27Å; L101-L171 PolarHBondContact N-O 3.08Å; L101-V172 HydrophobicContact CB-CG1 4.34Å; L101-V172 HydrophobicContact CB-CG2 4.22Å; L101-V172 HydrophobicContact CD2-CG1 3.69Å; L101-V172 WeakPolarHBondContact O-CA 3.4Å; L101-H173 PolarHBondContact O-CD2 2.62Å; L101-H173 PolarHBondContact O-N 3.48Å
102	N	98.8	Very high	96.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	99.6	175.4	-175.5	-5.3	0	0	0	109.8	A104 E105 V112 T114 Y136 M137 G138 F139 H173	N102-A104 PolarHBondContact O-N 3.45Å; N102-A104 VanDerWaalsContact O-N 3.12Å; N102-A104 WeakPolarHBondContact OD1-CA 3.24Å; N102-A104 PolarHBondContact OD1-N 3.11Å; N102-E105 HydrophobicContact CB-CB 4.42Å; N102-E105 WeakPolarHBondContact ND2-CA 3.39Å; N102-E105 PolarHBondContact OD1-N 3.32Å; N102-V112 PolarHBondContact ND2-O 3.37Å; N102-T114 PolarHBondContact ND2-OG1 2.82Å; N102-Y136 HydrophobicContact CB-CE2 3.83Å; N102-Y136 WeakPolarHBondContact CB-OH 3.41Å; N102-Y136 PolarHBondContact ND2-OH 3.22Å; N102-M137 PolarHBondContact N-O 3.03Å; N102-G138 CarbonylContact O-C 3.44Å; N102-G138 WeakPolarHBondContact O-CA 3.48Å; N102-F139 PolarHBondContact O-N 3.04Å; N102-H173 WeakPolarHBondContact CA-NE2 3.4Å; N102-H173 VanDerWaalsContact CB-NE2 3.31Å; N102-H173 WeakPolarHBondContact CB-NE2 3.08Å; N102-H173 PolarHBondContact OD1-CE1 3.37Å; N102-H173 VanDerWaalsContact OD1-CE1 3.25Å
103	A	98.8	Very high	96.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	17.9	176.9	0	0	0	0	0	112.9	L101 M141 H173 C174 R180	L101-A103 HydrophobicContact CD2-CB 4.07Å; A103-M141 HydrophobicContact CB-CE 3.9Å; A103-H173 WeakPolarHBondContact CB-O 3.45Å; A103-H173 PolarHBondContact N-O 2.88Å; A103-C174 HydrophobicContact CB-CB 4.45Å; A103-R180 HydrophobicContact CB-CB 4.01Å; A103-R180 WeakPolarHBondContact O-CD 3.36Å
104	A	98.4	Very high	96.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.2	31.3	-175.8	0	0	0	0	0	111.6	N102 Q111 V112 F139 C174	N102-A104 PolarHBondContact O-N 3.45Å; N102-A104 VanDerWaalsContact O-N 3.12Å; N102-A104 WeakPolarHBondContact OD1-CA 3.24Å; N102-A104 PolarHBondContact OD1-N 3.11Å; A104-Q111 CarbonylContact O-C 3.58Å; A104-Q111 WeakPolarHBondContact O-CA 3.17Å; A104-Q111 WeakPolarHBondContact O-CB 3.35Å; A104-V112 HydrophobicContact CB-CG2 4.2Å; A104-V112 PolarHBondContact O-N 2.97Å; A104-F139 PolarHBondContact N-O 2.92Å; A104-C174 HydrophobicContact CB-CB 3.89Å
105	E	98.5	Very high	96.8	Very high	52 Å²	52	39.3 Å²	39.3	24%	0.243	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-61.3	138.5	-173.4	-177.6	171.1	-131.8	0	0	112.3	N102 Q111 Y136 G138 F139 P140	N102-E105 HydrophobicContact CB-CB 4.42Å; N102-E105 WeakPolarHBondContact ND2-CA 3.39Å; N102-E105 PolarHBondContact OD1-N 3.32Å; E105-Q111 VanDerWaalsContact O-CD 3.32Å; E105-Q111 PolarHBondContact O-NE2 3.22Å; E105-Y136 WeakPolarHBondContact CG-OH 3.34Å; E105-Y136 WeakPolarHBondContact OE1-CE1 3.25Å; E105-Y136 VanDerWaalsContact OE1-CZ 3.27Å; E105-Y136 PolarHBondContact OE1-OH 2.61Å; E105-G138 VanDerWaalsContact OE2-C 3.24Å; E105-G138 WeakPolarHBondContact OE2-CA 3.48Å; E105-F139 PolarHBondContact N-O 3.18Å; E105-P140 WeakPolarHBondContact O-CA 3.33Å
106	G	97.5	Very high	96.9	Very high	20 Å²	20	44.2 Å²	44.2	21%	0.206	22%	0.22	C	C	.	.	S	Bend	trans	130.1	177.3	176.1	0	0	0	0	0	112.9	Q111 V112 D113	G106-Q111 WeakPolarHBondContact O-CB 3.29Å; G106-V112 CarbonylContact O-C 3.52Å; G106-V112 PolarHBondContact O-N 3.13Å; G106-D113 WeakPolarHBondContact O-CA 3.46Å; G106-D113 PolarHBondContact O-N 3.09Å; G106-D113 VanDerWaalsContact O-N 3.1Å
107	C	95.9	Very high	97	Very high	105 Å²	105	48.2 Å²	48.2	71%	0.709	25%	0.246	S	C	*	.	S	Bend	trans	-107.9	1.8	-173.1	60.5	0	0	0	0	114.2	D113	C107-D113 HydrophobicContact CB-CB 4.45Å
108	R	94.9	Very high	97.1	Very high	199 Å²	199	51.9 Å²	51.9	75%	0.751	26%	0.26	S	S	*	.	S	Bend	trans	-80.6	168.2	-179.1	-57.5	-176.1	175.9	-158	-1.3	111.5	G110 Q111	R108-G110 PolarHBondContact O-N 2.62Å; R108-Q111 HydrophobicContact CB-CG 4.49Å; R108-Q111 VanDerWaalsContact CB-OE1 3.27Å; R108-Q111 VanDerWaalsContact O-CB 3.32Å; R108-Q111 WeakPolarHBondContact O-CB 3.27Å; R108-Q111 PolarHBondContact O-N 3.46Å
109	Y	93.7	Very high	97.1	Very high	229 Å²	229	52.1 Å²	52.1	90%	0.898	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	130.6	172.3	-177.1	-96.5	0	0	0	111.1	Q111	Y109-Q111 VanDerWaalsContact C-N 3.31Å
110	G	94.6	Very high	97	Very high	17 Å²	17	62.1 Å²	62.1	18%	0.175	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-6.8	-177	0	0	0	0	0	115.2	R108 R180	R108-G110 PolarHBondContact O-N 2.62Å; G110-R180 VanDerWaalsContact O-CZ 3.27Å; G110-R180 PolarHBondContact O-NH1 3.11Å; G110-R180 PolarHBondContact O-NH2 3.02Å
111	Q	97.9	Very high	96.8	Very high	31 Å²	31	65.8 Å²	65.8	15%	0.145	32%	0.318	C	S	.	.			trans	-101.6	167.8	179.1	-63	-177.1	-44.3	0	0	112	A104 E105 G106 R108 Y109	A104-Q111 CarbonylContact O-C 3.58Å; A104-Q111 WeakPolarHBondContact O-CA 3.17Å; A104-Q111 WeakPolarHBondContact O-CB 3.35Å; E105-Q111 VanDerWaalsContact O-CD 3.32Å; E105-Q111 PolarHBondContact O-NE2 3.22Å; G106-Q111 WeakPolarHBondContact O-CB 3.29Å; R108-Q111 HydrophobicContact CB-CG 4.49Å; R108-Q111 VanDerWaalsContact CB-OE1 3.27Å; R108-Q111 VanDerWaalsContact O-CB 3.32Å; R108-Q111 WeakPolarHBondContact O-CB 3.27Å; R108-Q111 PolarHBondContact O-N 3.46Å; Y109-Q111 VanDerWaalsContact C-N 3.31Å
112	V	98.1	Very high	96.7	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.012	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-124.4	110.9	179.9	-174.9	0	0	0	0	108.2	A83 N102 A104 G106 T114 L175	A83-V112 HydrophobicContact CB-CG1 3.95Å; A83-V112 HydrophobicContact CB-CG2 3.69Å; N102-V112 PolarHBondContact ND2-O 3.37Å; A104-V112 HydrophobicContact CB-CG2 4.2Å; A104-V112 PolarHBondContact O-N 2.97Å; G106-V112 CarbonylContact O-C 3.52Å; G106-V112 PolarHBondContact O-N 3.13Å; V112-T114 VanDerWaalsContact C-N 3.25Å; V112-T114 HydrophobicContact CG1-CG2 4.13Å; V112-T114 PolarHBondContact O-N 2.74Å; V112-L175 HydrophobicContact CG2-CB 4.42Å; V112-L175 HydrophobicContact CG2-CD1 4.3Å
113	D	97.7	Very high	96.4	Very high	106 Å²	106	69.7 Å²	69.7	57%	0.567	34%	0.342	S	S	*	.			trans	-77	78.3	-179.7	-169.6	18.1	0	0	0	110.6	G106 C107	G106-D113 WeakPolarHBondContact O-CA 3.46Å; G106-D113 PolarHBondContact O-N 3.09Å; G106-D113 VanDerWaalsContact O-N 3.1Å; C107-D113 HydrophobicContact CB-CB 4.45Å
114	T	96.9	Very high	96	Very high	4 Å²	4	72.8 Å²	72.8	3%	0.025	36%	0.364	C	S	.	.			trans	-127.3	163.6	163.6	62.5	0	0	0	0	107.8	K87 N102 V112 Y118 Y119 Y136	K87-T114 HydrophobicContact CG-CG2 3.97Å; N102-T114 PolarHBondContact ND2-OG1 2.82Å; V112-T114 VanDerWaalsContact C-N 3.25Å; V112-T114 HydrophobicContact CG1-CG2 4.13Å; V112-T114 PolarHBondContact O-N 2.74Å; T114-Y118 HydrophobicContact CG2-CD1 3.92Å; T114-Y118 HydrophobicContact CG2-CE1 4.04Å; T114-Y118 HydrophobicContact CG2-CG 4.25Å; T114-Y119 HydrophobicContact CG2-CE2 4.48Å; T114-Y136 PolarHBondContact O-OH 2.93Å; T114-Y136 VanDerWaalsContact O-OH 3.04Å
115	G	96	Very high	95.5	Very high	13 Å²	13	74.5 Å²	74.5	13%	0.134	37%	0.373	C	S	.	.			trans	-171.2	177.4	-173.2	0	0	0	0	0	111.6	S117 Y118 Y119	G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 3.35Å; G115-Y118 WeakPolarHBondContact O-CA 3.36Å; G115-Y118 VanDerWaalsContact O-CB 3.26Å; G115-Y118 WeakPolarHBondContact O-CB 3.48Å; G115-Y118 PolarHBondContact O-N 2.94Å; G115-Y119 VanDerWaalsContact O-CD2 3.29Å; G115-Y119 WeakPolarHBondContact O-CD2 3.31Å; G115-Y119 PolarHBondContact O-N 2.88Å
116	H	94.8	Very high	94.9	Very high	136 Å²	136	80.5 Å²	80.5	63%	0.63	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-45.9	176.8	-170.9	79.9	0	0	0	112.1	Y118 Y119 R120 Y136	H116-Y118 VanDerWaalsContact C-N 3.28Å; H116-Y118 PolarHBondContact O-N 3.04Å; H116-Y119 PolarHBondContact O-N 3.37Å; H116-Y119 VanDerWaalsContact O-N 3.13Å; H116-R120 PolarHBondContact O-N 3.34Å; H116-Y136 HydrophobicContact CB-CD1 4.32Å
117	S	96.4	Very high	94	Very high	92 Å²	92	83.7 Å²	83.7	64%	0.643	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-32.5	176.4	-57.1	0	0	0	0	113.3	G115 Y119 R120	G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 3.35Å; S117-Y119 VanDerWaalsContact C-N 3.31Å; S117-Y119 PolarHBondContact O-N 3.04Å; S117-R120 WeakPolarHBondContact O-CD 3.45Å; S117-R120 WeakPolarHBondContact O-CG 3.49Å
118	Y	97.8	Very high	93.3	Very high	79 Å²	79	83.9 Å²	83.9	31%	0.31	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-42.2	175	-174.9	-97.5	0	0	0	110.1	K87 K89 T114 G115 H116	K87-Y118 WeakPolarHBondContact CA-OH 3.47Å; K87-Y118 PolarHBondContact O-OH 3Å; K89-Y118 HydrophobicContact CD-CE1 4.41Å; K89-Y118 VanDerWaalsContact CE-CE1 3.46Å; K89-Y118 WeakPolarHBondContact CE-O 3.37Å; K89-Y118 HydrophobicContact CG-CE1 4.09Å; K89-Y118 PolarHBondContact NZ-O 3.16Å; T114-Y118 HydrophobicContact CG2-CD1 3.92Å; T114-Y118 HydrophobicContact CG2-CE1 4.04Å; T114-Y118 HydrophobicContact CG2-CG 4.25Å; G115-Y118 WeakPolarHBondContact O-CA 3.36Å; G115-Y118 VanDerWaalsContact O-CB 3.26Å; G115-Y118 WeakPolarHBondContact O-CB 3.48Å; G115-Y118 PolarHBondContact O-N 2.94Å; H116-Y118 VanDerWaalsContact C-N 3.28Å; H116-Y118 PolarHBondContact O-N 3.04Å
119	Y	97.7	Very high	92.7	Very high	6 Å²	6	82.7 Å²	82.7	2%	0.024	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	11.3	-175.7	-61.8	-72.1	0	0	0	115.3	A86 L92 V100 T114 G115 H116 S117 D121 M122 F134 Y136	A86-Y119 PolarHBondContact O-OH 3.07Å; L92-Y119 HydrophobicContact CD1-CD1 4.4Å; L92-Y119 HydrophobicContact CD1-CE1 3.63Å; V100-Y119 HydrophobicContact CB-CE2 4.39Å; V100-Y119 HydrophobicContact CG1-CE2 4.05Å; V100-Y119 HydrophobicContact CG2-CE1 4.44Å; T114-Y119 HydrophobicContact CG2-CE2 4.48Å; G115-Y119 VanDerWaalsContact O-CD2 3.29Å; G115-Y119 WeakPolarHBondContact O-CD2 3.31Å; G115-Y119 PolarHBondContact O-N 2.88Å; H116-Y119 PolarHBondContact O-N 3.37Å; H116-Y119 VanDerWaalsContact O-N 3.13Å; S117-Y119 VanDerWaalsContact C-N 3.31Å; S117-Y119 PolarHBondContact O-N 3.04Å; Y119-D121 PolarHBondContact O-N 2.67Å; Y119-M122 HydrophobicContact CD1-CG 3.91Å; Y119-M122 HydrophobicContact CG-CG 4.4Å; Y119-M122 VanDerWaalsContact O-CB 3.29Å; Y119-M122 WeakPolarHBondContact O-CB 3.31Å; Y119-M122 WeakPolarHBondContact O-CG 3.42Å; Y119-M122 PolarHBondContact O-N 2.89Å; Y119-F134 AromaticContact CD1-CE1 3.98Å; Y119-F134 HydrophobicContact CD1-CE1 3.98Å; Y119-F134 AromaticContact CD1-CZ 3.69Å; Y119-F134 HydrophobicContact CD1-CZ 3.69Å; Y119-F134 HydrophobicContact CD2-CE1 4.1Å; Y119-F134 HydrophobicContact CD2-CZ 4.39Å; Y119-F134 HydrophobicContact CE1-CZ 4.31Å; Y119-F134 AromaticContact CG-CE1 3.54Å; Y119-F134 HydrophobicContact CG-CE1 3.54Å; Y119-F134 AromaticContact CG-CZ 3.75Å; Y119-F134 HydrophobicContact CG-CZ 3.75Å; Y119-Y136 AromaticContact CD2-CD2 3.53Å; Y119-Y136 HydrophobicContact CD2-CD2 3.53Å; Y119-Y136 HydrophobicContact CD2-CE2 4.12Å; Y119-Y136 HydrophobicContact CD2-CG 4.1Å; Y119-Y136 AromaticContact CE2-CD2 3.48Å; Y119-Y136 HydrophobicContact CE2-CD2 3.48Å; Y119-Y136 VanDerWaalsContact CE2-CD2 3.48Å; Y119-Y136 AromaticContact CE2-CE2 3.7Å; Y119-Y136 HydrophobicContact CE2-CE2 3.7Å; Y119-Y136 HydrophobicContact CE2-CG 4.46Å
120	R	95.3	Very high	92.2	Very high	213 Å²	213	78 Å²	78	80%	0.804	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.3	-174.9	71.2	-175.8	178.5	176.5	-1.5	115.3	H116 S117	H116-R120 PolarHBondContact O-N 3.34Å; S117-R120 WeakPolarHBondContact O-CD 3.45Å; S117-R120 WeakPolarHBondContact O-CG 3.49Å
121	D	95.3	Very high	91.7	Very high	77 Å²	77	82.4 Å²	82.4	41%	0.412	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	8.6	178.6	68.2	-49.8	0	0	0	112.9	K89 R93 Y119	K89-D121 WeakPolarHBondContact CE-OD1 3.46Å; K89-D121 IonicContact NZ-OD1 3.65Å; K89-D121 PolarHBondContact NZ-OD1 3.1Å; K89-D121 IonicContact NZ-OD2 2.67Å; R93-D121 PolarHBondContact NH2-O 3.41Å; R93-D121 IonicContact NH2-OD2 3.12Å; R93-D121 PolarHBondContact NH2-OD2 2.86Å; Y119-D121 PolarHBondContact O-N 2.67Å
122	M	96.3	Very high	91.2	Very high	18 Å²	18	81.3 Å²	81.3	9%	0.089	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-74.1	128.8	173.2	-70.7	-62.9	-71.4	0	0	110	K89 L92 R93 Y119 F134	K89-M122 HydrophobicContact CB-SD 4.05Å; K89-M122 HydrophobicContact CD-SD 4.33Å; K89-M122 HydrophobicContact CG-SD 4.14Å; L92-M122 HydrophobicContact CB-CE 3.9Å; R93-M122 HydrophobicContact CG-CE 3.87Å; R93-M122 HydrophobicContact CG-SD 4.12Å; Y119-M122 HydrophobicContact CD1-CG 3.91Å; Y119-M122 HydrophobicContact CG-CG 4.4Å; Y119-M122 VanDerWaalsContact O-CB 3.29Å; Y119-M122 WeakPolarHBondContact O-CB 3.31Å; Y119-M122 WeakPolarHBondContact O-CG 3.42Å; Y119-M122 PolarHBondContact O-N 2.89Å; M122-F134 HydrophobicContact CB-CB 3.82Å; M122-F134 HydrophobicContact CB-CD1 3.85Å; M122-F134 HydrophobicContact CB-CD2 3.54Å; M122-F134 HydrophobicContact CB-CE1 4.31Å; M122-F134 HydrophobicContact CB-CE2 4.01Å; M122-F134 HydrophobicContact CB-CG 3.44Å; M122-F134 VanDerWaalsContact CB-CG 3.44Å; M122-F134 HydrophobicContact CB-CZ 4.35Å; M122-F134 HydrophobicContact CE-CD2 3.86Å; M122-F134 HydrophobicContact CE-CE2 3.57Å; M122-F134 HydrophobicContact CE-CZ 4.39Å; M122-F134 HydrophobicContact CG-CD1 4.24Å; M122-F134 HydrophobicContact CG-CD2 3.94Å; M122-F134 HydrophobicContact CG-CE1 4.19Å; M122-F134 HydrophobicContact CG-CE2 3.85Å; M122-F134 HydrophobicContact CG-CG 4.12Å; M122-F134 HydrophobicContact CG-CZ 3.96Å
123	P	92	Very high	90.9	Very high	64 Å²	64	85.2 Å²	85.2	42%	0.416	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-74.6	156.3	-176.5	31.6	-35.8	0	0	0	111.7
124	S	89.9	Confident	90.8	Very high	66 Å²	66	81.3 Å²	81.3	46%	0.462	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-70.1	136.2	160.8	-61.6	0	0	0	0	109.1	C132	S124-C132 WeakPolarHBondContact CA-O 3.47Å
125	I	88.6	Confident	90.8	Very high	35 Å²	35	87.6 Å²	87.6	18%	0.179	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.4	-179.5	-57.4	178.7	0	0	0	108.3	T98 R127 C132	T98-I125 HydrophobicContact CG2-CB 4.22Å; T98-I125 HydrophobicContact CG2-CD1 4.07Å; T98-I125 HydrophobicContact CG2-CG1 4.47Å; I125-R127 HydrophobicContact CG2-CG 3.83Å; I125-R127 PolarHBondContact O-N 3.42Å; I125-C132 PolarHBondContact N-O 3.35Å; I125-C132 VanDerWaalsContact O-CB 3.28Å; I125-C132 WeakPolarHBondContact O-CB 3.45Å; I125-C132 PolarHBondContact O-N 3.05Å
126	R	85.2	Confident	91	Very high	178 Å²	178	88.5 Å²	88.5	67%	0.672	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	116.9	173.7	-170.1	175.1	175.9	-151.7	-1.4	109.9	K130	R126-K130 CarbonylContact C-O 3.59Å; R126-K130 WeakPolarHBondContact CA-O 3.5Å
127	R	79.8	Confident	91.1	Very high	87 Å²	87	84.6 Å²	84.6	33%	0.328	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.5	175.3	-55.9	-167.9	79.9	85.5	5.7	109.7	I125 H129 K130 G167	I125-R127 HydrophobicContact CG2-CG 3.83Å; I125-R127 PolarHBondContact O-N 3.42Å; R127-H129 VanDerWaalsContact C-N 3.25Å; R127-H129 PolarHBondContact O-N 2.77Å; R127-H129 VanDerWaalsContact O-N 3.15Å; R127-K130 PolarHBondContact N-O 2.66Å; R127-K130 PolarHBondContact O-N 3.15Å; R127-G167 WeakPolarHBondContact CD-O 3.25Å; R127-G167 PolarHBondContact NE-O 3.24Å
128	S	80.3	Confident	91.3	Very high	110 Å²	110	81 Å²	81	77%	0.769	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	44.5	177.7	-54.5	0	0	0	0	113.9	K130	S128-K130 PolarHBondContact O-N 2.93Å
129	H	81.9	Confident	91.3	Very high	174 Å²	174	77.7 Å²	77.7	81%	0.806	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	14.2	-177.9	-50.4	86.5	0	0	0	115.9	R127	R127-H129 VanDerWaalsContact C-N 3.25Å; R127-H129 PolarHBondContact O-N 2.77Å; R127-H129 VanDerWaalsContact O-N 3.15Å
130	K	83	Confident	91.3	Very high	130 Å²	130	81.5 Å²	81.5	57%	0.565	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	141.3	176.9	-169.2	174.7	-177.3	175.7	0	111	R126 R127 S128 C132	R126-K130 CarbonylContact C-O 3.59Å; R126-K130 WeakPolarHBondContact CA-O 3.5Å; R127-K130 PolarHBondContact N-O 2.66Å; R127-K130 PolarHBondContact O-N 3.15Å; S128-K130 PolarHBondContact O-N 2.93Å; K130-C132 PolarHBondContact O-N 2.89Å
131	D	86	Confident	91.3	Very high	110 Å²	110	71.4 Å²	71.4	59%	0.588	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	114.4	171.3	-65.3	-37.4	0	0	0	109.9	V133	D131-V133 PolarHBondContact O-N 3.49Å
132	C	86.7	Confident	91.4	Very high	7 Å²	7	71 Å²	71	5%	0.047	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	99.1	173.8	-59	0	0	0	0	108.6	T98 S124 I125 K130 S166	T98-C132 HydrophobicContact CG2-CB 3.82Å; S124-C132 WeakPolarHBondContact CA-O 3.47Å; I125-C132 PolarHBondContact N-O 3.35Å; I125-C132 VanDerWaalsContact O-CB 3.28Å; I125-C132 WeakPolarHBondContact O-CB 3.45Å; I125-C132 PolarHBondContact O-N 3.05Å; K130-C132 PolarHBondContact O-N 2.89Å; C132-S166 PolarHBondContact SG-O 2.96Å
133	V	91.4	Very high	91.5	Very high	85 Å²	85	73.7 Å²	73.7	52%	0.515	38%	0.378	S	S	.	.			trans	-64.9	136	173.5	-177.8	0	0	0	0	109.9	D131 R135	D131-V133 PolarHBondContact O-N 3.49Å; V133-R135 PolarHBondContact O-N 3.28Å
134	F	96	Very high	91.8	Very high	24 Å²	24	71.8 Å²	71.8	11%	0.105	37%	0.368	C	S	.	.			trans	-63.4	133.2	177.4	-171.7	-85.1	0	0	0	111.2	T98 V100 Y119 M122	T98-F134 CarbonylContact O-C 3.57Å; T98-F134 VanDerWaalsContact O-CA 3.24Å; T98-F134 WeakPolarHBondContact O-CA 3.28Å; V100-F134 HydrophobicContact CB-CZ 4.1Å; V100-F134 HydrophobicContact CG2-CE1 4.48Å; V100-F134 HydrophobicContact CG2-CE2 4.09Å; V100-F134 HydrophobicContact CG2-CZ 3.51Å; Y119-F134 AromaticContact CD1-CE1 3.98Å; Y119-F134 HydrophobicContact CD1-CE1 3.98Å; Y119-F134 AromaticContact CD1-CZ 3.69Å; Y119-F134 HydrophobicContact CD1-CZ 3.69Å; Y119-F134 HydrophobicContact CD2-CE1 4.1Å; Y119-F134 HydrophobicContact CD2-CZ 4.39Å; Y119-F134 HydrophobicContact CE1-CZ 4.31Å; Y119-F134 AromaticContact CG-CE1 3.54Å; Y119-F134 HydrophobicContact CG-CE1 3.54Å; Y119-F134 AromaticContact CG-CZ 3.75Å; Y119-F134 HydrophobicContact CG-CZ 3.75Å; M122-F134 HydrophobicContact CB-CB 3.82Å; M122-F134 HydrophobicContact CB-CD1 3.85Å; M122-F134 HydrophobicContact CB-CD2 3.54Å; M122-F134 HydrophobicContact CB-CE1 4.31Å; M122-F134 HydrophobicContact CB-CE2 4.01Å; M122-F134 HydrophobicContact CB-CG 3.44Å; M122-F134 VanDerWaalsContact CB-CG 3.44Å; M122-F134 HydrophobicContact CB-CZ 4.35Å; M122-F134 HydrophobicContact CE-CD2 3.86Å; M122-F134 HydrophobicContact CE-CE2 3.57Å; M122-F134 HydrophobicContact CE-CZ 4.39Å; M122-F134 HydrophobicContact CG-CD1 4.24Å; M122-F134 HydrophobicContact CG-CD2 3.94Å; M122-F134 HydrophobicContact CG-CE1 4.19Å; M122-F134 HydrophobicContact CG-CE2 3.85Å; M122-F134 HydrophobicContact CG-CG 4.12Å; M122-F134 HydrophobicContact CG-CZ 3.96Å
135	R	97.4	Very high	92.1	Very high	136 Å²	136	72.3 Å²	72.3	51%	0.513	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.5	178.4	-59.6	-173.5	-178.5	-177	-4.4	112.1	T98 H99 V100 V133 F159	T98-R135 PolarHBondContact O-N 3.21Å; H99-R135 CarbonylContact C-O 3.57Å; H99-R135 VanDerWaalsContact CA-O 3.29Å; H99-R135 WeakPolarHBondContact CA-O 3.34Å; V100-R135 PolarHBondContact N-O 3.13Å; V133-R135 PolarHBondContact O-N 3.28Å; R135-F159 HydrophobicContact CB-CE2 4.03Å; R135-F159 HydrophobicContact CB-CZ 4.06Å
136	Y	98.5	Very high	92.6	Very high	32 Å²	32	77 Å²	77	13%	0.125	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.4	178.6	173.5	-94.9	0	0	0	110.4	V100 N102 E105 T114 H116 Y119	V100-Y136 HydrophobicContact CB-CD2 4.17Å; V100-Y136 HydrophobicContact CG1-CD2 4.03Å; V100-Y136 HydrophobicContact CG1-CE2 4.22Å; V100-Y136 WeakPolarHBondContact O-CA 3.4Å; N102-Y136 HydrophobicContact CB-CE2 3.83Å; N102-Y136 WeakPolarHBondContact CB-OH 3.41Å; N102-Y136 PolarHBondContact ND2-OH 3.22Å; E105-Y136 WeakPolarHBondContact CG-OH 3.34Å; E105-Y136 WeakPolarHBondContact OE1-CE1 3.25Å; E105-Y136 VanDerWaalsContact OE1-CZ 3.27Å; E105-Y136 PolarHBondContact OE1-OH 2.61Å; T114-Y136 PolarHBondContact O-OH 2.93Å; T114-Y136 VanDerWaalsContact O-OH 3.04Å; H116-Y136 HydrophobicContact CB-CD1 4.32Å; Y119-Y136 AromaticContact CD2-CD2 3.53Å; Y119-Y136 HydrophobicContact CD2-CD2 3.53Å; Y119-Y136 HydrophobicContact CD2-CE2 4.12Å; Y119-Y136 HydrophobicContact CD2-CG 4.1Å; Y119-Y136 AromaticContact CE2-CD2 3.48Å; Y119-Y136 HydrophobicContact CE2-CD2 3.48Å; Y119-Y136 VanDerWaalsContact CE2-CD2 3.48Å; Y119-Y136 AromaticContact CE2-CE2 3.7Å; Y119-Y136 HydrophobicContact CE2-CE2 3.7Å; Y119-Y136 HydrophobicContact CE2-CG 4.46Å
137	M	98.7	Very high	93.2	Very high	53 Å²	53	69.2 Å²	69.2	26%	0.261	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.7	168.2	-179.2	169.6	-76.1	0	0	109.1	V100 L101 N102 F139 V155 F159	V100-M137 PolarHBondContact O-N 3.42Å; L101-M137 CarbonylContact C-O 3.55Å; L101-M137 VanDerWaalsContact CA-O 3.27Å; L101-M137 WeakPolarHBondContact CA-O 3.47Å; N102-M137 PolarHBondContact N-O 3.03Å; M137-F139 HydrophobicContact CG-CE1 3.83Å; M137-F139 HydrophobicContact CG-CZ 3.99Å; M137-F139 HydrophobicContact SD-CE1 3.76Å; M137-F139 HydrophobicContact SD-CZ 3.6Å; M137-F139 VanDerWaalsContact SD-CZ 3.6Å; M137-V155 HydrophobicContact CE-CG2 4.17Å; M137-V155 HydrophobicContact SD-CG2 3.95Å; M137-F159 HydrophobicContact CB-CD1 4.03Å; M137-F159 HydrophobicContact CB-CD2 4.02Å; M137-F159 HydrophobicContact CB-CE1 3.87Å; M137-F159 HydrophobicContact CB-CE2 3.88Å; M137-F159 HydrophobicContact CB-CG 4.08Å; M137-F159 HydrophobicContact CB-CZ 3.8Å; M137-F159 HydrophobicContact CE-CB 4.2Å; M137-F159 HydrophobicContact CE-CD2 3.8Å; M137-F159 HydrophobicContact CE-CE2 4.48Å; M137-F159 HydrophobicContact CE-CG 4.16Å; M137-F159 HydrophobicContact SD-CB 3.77Å; M137-F159 HydrophobicContact SD-CD1 4.46Å; M137-F159 HydrophobicContact SD-CD2 4.09Å; M137-F159 HydrophobicContact SD-CG 3.86Å
138	G	98.6	Very high	94.1	Very high	17 Å²	17	68.3 Å²	68.3	18%	0.175	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.1	177.4	0	0	0	0	0	112.1	N102 E105	N102-G138 CarbonylContact O-C 3.44Å; N102-G138 WeakPolarHBondContact O-CA 3.48Å; E105-G138 VanDerWaalsContact OE2-C 3.24Å; E105-G138 WeakPolarHBondContact OE2-CA 3.48Å
139	F	98.6	Very high	95	Very high	10 Å²	10	63 Å²	63	4%	0.044	34%	0.337	C	S	.	.			trans	-122.3	125.2	174.6	-56.4	-42.7	0	0	0	109.5	L101 N102 A104 E105 M137 M141 Y152 V155 A156	L101-F139 HydrophobicContact CD1-CE2 3.86Å; L101-F139 HydrophobicContact CD1-CZ 4.26Å; L101-F139 HydrophobicContact CD2-CD2 4.17Å; L101-F139 HydrophobicContact CD2-CE2 4Å; L101-F139 HydrophobicContact CG-CE2 4.17Å; N102-F139 PolarHBondContact O-N 3.04Å; A104-F139 PolarHBondContact N-O 2.92Å; E105-F139 PolarHBondContact N-O 3.18Å; M137-F139 HydrophobicContact CG-CE1 3.83Å; M137-F139 HydrophobicContact CG-CZ 3.99Å; M137-F139 HydrophobicContact SD-CE1 3.76Å; M137-F139 HydrophobicContact SD-CZ 3.6Å; M137-F139 VanDerWaalsContact SD-CZ 3.6Å; F139-M141 HydrophobicContact CB-CE 3.71Å; F139-M141 HydrophobicContact CB-CG 4.02Å; F139-M141 HydrophobicContact CB-SD 4.4Å; F139-M141 HydrophobicContact CD2-CE 3.89Å; F139-M141 HydrophobicContact CG-CE 4.25Å; F139-M141 PolarHBondContact O-N 3.23Å; F139-Y152 HydrophobicContact CB-CD1 4.21Å; F139-Y152 HydrophobicContact CB-CE1 4.12Å; F139-Y152 HydrophobicContact CB-CG 4.47Å; F139-Y152 AromaticContact CD1-CD1 3.38Å; F139-Y152 HydrophobicContact CD1-CD1 3.38Å; F139-Y152 AromaticContact CD1-CE1 3.57Å; F139-Y152 HydrophobicContact CD1-CE1 3.57Å; F139-Y152 HydrophobicContact CD1-CG 4.22Å; F139-Y152 HydrophobicContact CD2-CD1 4.1Å; F139-Y152 HydrophobicContact CD2-CG 4.15Å; F139-Y152 AromaticContact CE1-CD1 3.66Å; F139-Y152 HydrophobicContact CE1-CD1 3.66Å; F139-Y152 HydrophobicContact CE1-CE1 4.2Å; F139-Y152 HydrophobicContact CE2-CD1 4.32Å; F139-Y152 HydrophobicContact CE2-CG 4.44Å; F139-Y152 AromaticContact CG-CD1 3.63Å; F139-Y152 HydrophobicContact CG-CD1 3.63Å; F139-Y152 AromaticContact CG-CE1 3.93Å; F139-Y152 HydrophobicContact CG-CE1 3.93Å; F139-Y152 HydrophobicContact CG-CG 4.03Å; F139-Y152 HydrophobicContact CZ-CD1 4.12Å; F139-V155 HydrophobicContact CE1-CG1 4.01Å; F139-V155 HydrophobicContact CE1-CG2 4.38Å; F139-V155 HydrophobicContact CZ-CG1 3.79Å; F139-V155 HydrophobicContact CZ-CG2 4.33Å; F139-A156 HydrophobicContact CE2-CB 3.77Å; F139-A156 HydrophobicContact CZ-CB 4.19Å
140	P	97.3	Very high	95.8	Very high	85 Å²	85	57 Å²	57	55%	0.552	32%	0.315	S	S	*	.			trans	-80.4	69.4	-177.6	33.4	-35.9	0	0	0	111.3	E105	E105-P140 WeakPolarHBondContact O-CA 3.33Å
141	M	96.2	Very high	96.5	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	32%	0.315	C	S	.	.			trans	-109.1	141.7	-176.6	-61.5	-170.1	-76	0	0	112.7	A103 F139 T147 I149 Y152 R180	A103-M141 HydrophobicContact CB-CE 3.9Å; F139-M141 HydrophobicContact CB-CE 3.71Å; F139-M141 HydrophobicContact CB-CG 4.02Å; F139-M141 HydrophobicContact CB-SD 4.4Å; F139-M141 HydrophobicContact CD2-CE 3.89Å; F139-M141 HydrophobicContact CG-CE 4.25Å; F139-M141 PolarHBondContact O-N 3.23Å; M141-T147 HydrophobicContact CB-CG2 4.38Å; M141-T147 HydrophobicContact CG-CG2 4.47Å; M141-I149 HydrophobicContact CE-CD1 3.92Å; M141-I149 HydrophobicContact CE-CG1 4.09Å; M141-I149 HydrophobicContact SD-CB 4.12Å; M141-I149 HydrophobicContact SD-CD1 3.88Å; M141-I149 HydrophobicContact SD-CG1 3.64Å; M141-Y152 HydrophobicContact CE-CD2 4.24Å; M141-Y152 HydrophobicContact CG-CD2 4.02Å; M141-Y152 HydrophobicContact CG-CE2 3.62Å; M141-Y152 HydrophobicContact SD-CD2 3.31Å; M141-Y152 WeakPolarHBondContact SD-CD2 3.42Å; M141-Y152 HydrophobicContact SD-CE2 3.58Å; M141-Y152 VanDerWaalsContact SD-CE2 3.58Å; M141-Y152 HydrophobicContact SD-CG 4.22Å; M141-R180 PolarHBondContact O-NH1 3.13Å
142	V	96.9	Very high	97.1	Very high	68 Å²	68	54.4 Å²	54.4	41%	0.412	29%	0.293	S	S	.	.			trans	-98.7	159.4	165.9	-63	0	0	0	0	110.2	A144 T147	V142-A144 HydrophobicContact CG2-CB 4.25Å; V142-A144 PolarHBondContact O-N 3.13Å; V142-T147 WeakPolarHBondContact CG2-OG1 3.49Å; V142-T147 PolarHBondContact O-OG1 2.59Å
143	D	97.8	Very high	97.7	Very high	74 Å²	74	54.2 Å²	54.2	40%	0.396	29%	0.292	S	S	.	.	S	Bend	trans	-90.4	72.3	-179	-156.4	-9.7	0	0	0	110.7	S179 R180 N213	D143-S179 WeakPolarHBondContact OD1-CB 3.13Å; D143-S179 PolarHBondContact OD1-OG 2.98Å; D143-S179 WeakPolarHBondContact OD2-CB 3.45Å; D143-S179 PolarHBondContact OD2-OG 3.19Å; D143-R180 HydrophobicContact CB-CG 4.31Å; D143-R180 IonicContact OD2-NE 3.94Å; D143-N213 PolarHBondContact OD1-ND2 3.49Å
144	A	98	Very high	98	Very high	24 Å²	24	55.1 Å²	55.1	20%	0.198	29%	0.287	C	S	.	.			trans	-126.4	142.2	179.4	0	0	0	0	0	110.5	V142 T146 T147	V142-A144 HydrophobicContact CG2-CB 4.25Å; V142-A144 PolarHBondContact O-N 3.13Å; A144-T146 PolarHBondContact O-N 3.41Å; A144-T146 VanDerWaalsContact O-N 3.09Å; A144-T147 VanDerWaalsContact O-CB 3.31Å; A144-T147 WeakPolarHBondContact O-CB 3.46Å; A144-T147 PolarHBondContact O-N 2.82Å; A144-T147 PolarHBondContact O-OG1 2.74Å
145	P	98	Very high	98.1	Very high	78 Å²	78	56.8 Å²	56.8	51%	0.506	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.5	174.1	-26.2	34.6	0	0	0	114.4	T147 N213	P145-T147 VanDerWaalsContact C-N 3.33Å; P145-N213 VanDerWaalsContact CA-OD1 3.29Å; P145-N213 WeakPolarHBondContact CA-OD1 3.16Å; P145-N213 HydrophobicContact CG-CB 4.24Å
146	T	98.1	Very high	98.2	Very high	133 Å²	133	50.3 Å²	50.3	82%	0.816	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-7.3	177.6	53.5	0	0	0	0	113.9	A144 D148	A144-T146 PolarHBondContact O-N 3.41Å; A144-T146 VanDerWaalsContact O-N 3.09Å; T146-D148 PolarHBondContact O-N 2.79Å
147	T	98.3	Very high	98.2	Very high	15 Å²	15	48.9 Å²	48.9	9%	0.092	27%	0.269	C	S	.	.	S	Bend	trans	-73.6	121.3	176.9	-63.7	0	0	0	0	109.5	M141 V142 A144 P145 I149 F216 Q219	M141-T147 HydrophobicContact CB-CG2 4.38Å; M141-T147 HydrophobicContact CG-CG2 4.47Å; V142-T147 WeakPolarHBondContact CG2-OG1 3.49Å; V142-T147 PolarHBondContact O-OG1 2.59Å; A144-T147 VanDerWaalsContact O-CB 3.31Å; A144-T147 WeakPolarHBondContact O-CB 3.46Å; A144-T147 PolarHBondContact O-N 2.82Å; A144-T147 PolarHBondContact O-OG1 2.74Å; P145-T147 VanDerWaalsContact C-N 3.33Å; T147-I149 PolarHBondContact O-N 2.99Å; T147-F216 HydrophobicContact CG2-CE1 4.3Å; T147-F216 HydrophobicContact CG2-CZ 4.41Å; T147-F216 WeakPolarHBondContact O-CE1 3.04Å; T147-Q219 PolarHBondContact O-NE2 2.84Å
148	D	98.4	Very high	98.2	Very high	67 Å²	67	54.1 Å²	54.1	36%	0.358	29%	0.29	S	S	.	.			trans	-71.1	96.9	166.2	175.5	18.4	0	0	0	108.9	T146 S150 R151	T146-D148 PolarHBondContact O-N 2.79Å; D148-S150 WeakPolarHBondContact OD1-CB 3.42Å; D148-S150 PolarHBondContact OD1-N 2.91Å; D148-S150 VanDerWaalsContact OD1-N 3.11Å; D148-S150 PolarHBondContact OD1-OG 3.43Å; D148-R151 WeakPolarHBondContact O-CG 3.29Å; D148-R151 PolarHBondContact O-NE 3.18Å; D148-R151 PolarHBondContact O-NH2 3.12Å; D148-R151 PolarHBondContact OD1-N 2.86Å; D148-R151 WeakPolarHBondContact OD2-CD 3.29Å; D148-R151 IonicContact OD2-NE 3.81Å
149	I	98.7	Very high	98.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.			trans	-90.1	-20.5	172.9	-171.9	158	0	0	0	110.9	M141 T147 R151 Y152 F153 T183 F216 Q219	M141-I149 HydrophobicContact CE-CD1 3.92Å; M141-I149 HydrophobicContact CE-CG1 4.09Å; M141-I149 HydrophobicContact SD-CB 4.12Å; M141-I149 HydrophobicContact SD-CD1 3.88Å; M141-I149 HydrophobicContact SD-CG1 3.64Å; T147-I149 PolarHBondContact O-N 2.99Å; I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 2.83Å; I149-Y152 WeakPolarHBondContact O-CA 3.15Å; I149-Y152 WeakPolarHBondContact O-CB 3.31Å; I149-Y152 PolarHBondContact O-N 2.93Å; I149-F153 HydrophobicContact CB-CE1 4.44Å; I149-F153 HydrophobicContact CG1-CE1 4.07Å; I149-F153 HydrophobicContact CG2-CE1 3.88Å; I149-F153 HydrophobicContact CG2-CZ 4.09Å; I149-T183 HydrophobicContact CD1-CG2 3.94Å; I149-T183 HydrophobicContact CG1-CG2 4.42Å; I149-T183 HydrophobicContact CG2-CG2 4.12Å; I149-F216 HydrophobicContact CB-CD1 4.04Å; I149-F216 HydrophobicContact CB-CE1 3.8Å; I149-F216 HydrophobicContact CB-CZ 4.25Å; I149-F216 HydrophobicContact CD1-CD2 4.22Å; I149-F216 HydrophobicContact CD1-CE1 4.34Å; I149-F216 HydrophobicContact CD1-CE2 3.96Å; I149-F216 HydrophobicContact CD1-CZ 4.02Å; I149-F216 HydrophobicContact CG2-CB 4.39Å; I149-F216 HydrophobicContact CG2-CD1 3.31Å; I149-F216 HydrophobicContact CG2-CE1 3.62Å; I149-F216 HydrophobicContact CG2-CG 3.86Å; I149-F216 HydrophobicContact CG2-CZ 4.38Å; I149-Q219 HydrophobicContact CG2-CB 4.48Å; I149-Q219 VanDerWaalsContact CG2-OE1 3.24Å
150	S	98.6	Very high	98.2	Very high	48 Å²	48	53.7 Å²	53.7	34%	0.336	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-59.9	-36.5	-177.2	76.7	0	0	0	0	112.7	D148 Y152 F153	D148-S150 WeakPolarHBondContact OD1-CB 3.42Å; D148-S150 PolarHBondContact OD1-N 2.91Å; D148-S150 VanDerWaalsContact OD1-N 3.11Å; D148-S150 PolarHBondContact OD1-OG 3.43Å; S150-Y152 PolarHBondContact O-N 2.84Å; S150-F153 WeakPolarHBondContact O-CB 3.29Å; S150-F153 WeakPolarHBondContact O-CG 2.95Å; S150-F153 PolarHBondContact O-N 2.92Å
151	R	98.2	Very high	98.3	Very high	148 Å²	148	51.9 Å²	51.9	56%	0.558	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-56	-21.6	172	65.3	-178.9	156.8	171.6	-8.3	114.1	D148 I149	D148-R151 WeakPolarHBondContact O-CG 3.29Å; D148-R151 PolarHBondContact O-NE 3.18Å; D148-R151 PolarHBondContact O-NH2 3.12Å; D148-R151 PolarHBondContact OD1-N 2.86Å; D148-R151 WeakPolarHBondContact OD2-CD 3.29Å; D148-R151 IonicContact OD2-NE 3.81Å; I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 2.83Å
152	Y	98.8	Very high	98.3	Very high	36 Å²	36	53.6 Å²	53.6	14%	0.141	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-95.6	-10.2	178.2	-61.7	-71.2	0	0	0	114	F139 M141 I149 S150 Y154 V155 A156	F139-Y152 HydrophobicContact CB-CD1 4.21Å; F139-Y152 HydrophobicContact CB-CE1 4.12Å; F139-Y152 HydrophobicContact CB-CG 4.47Å; F139-Y152 AromaticContact CD1-CD1 3.38Å; F139-Y152 HydrophobicContact CD1-CD1 3.38Å; F139-Y152 AromaticContact CD1-CE1 3.57Å; F139-Y152 HydrophobicContact CD1-CE1 3.57Å; F139-Y152 HydrophobicContact CD1-CG 4.22Å; F139-Y152 HydrophobicContact CD2-CD1 4.1Å; F139-Y152 HydrophobicContact CD2-CG 4.15Å; F139-Y152 AromaticContact CE1-CD1 3.66Å; F139-Y152 HydrophobicContact CE1-CD1 3.66Å; F139-Y152 HydrophobicContact CE1-CE1 4.2Å; F139-Y152 HydrophobicContact CE2-CD1 4.32Å; F139-Y152 HydrophobicContact CE2-CG 4.44Å; F139-Y152 AromaticContact CG-CD1 3.63Å; F139-Y152 HydrophobicContact CG-CD1 3.63Å; F139-Y152 AromaticContact CG-CE1 3.93Å; F139-Y152 HydrophobicContact CG-CE1 3.93Å; F139-Y152 HydrophobicContact CG-CG 4.03Å; F139-Y152 HydrophobicContact CZ-CD1 4.12Å; M141-Y152 HydrophobicContact CE-CD2 4.24Å; M141-Y152 HydrophobicContact CG-CD2 4.02Å; M141-Y152 HydrophobicContact CG-CE2 3.62Å; M141-Y152 HydrophobicContact SD-CD2 3.31Å; M141-Y152 WeakPolarHBondContact SD-CD2 3.42Å; M141-Y152 HydrophobicContact SD-CE2 3.58Å; M141-Y152 VanDerWaalsContact SD-CE2 3.58Å; M141-Y152 HydrophobicContact SD-CG 4.22Å; I149-Y152 WeakPolarHBondContact O-CA 3.15Å; I149-Y152 WeakPolarHBondContact O-CB 3.31Å; I149-Y152 PolarHBondContact O-N 2.93Å; S150-Y152 PolarHBondContact O-N 2.84Å; Y152-Y154 PolarHBondContact O-N 2.92Å; Y152-V155 HydrophobicContact CD1-CG1 4.09Å; Y152-V155 WeakPolarHBondContact O-CG1 3.42Å; Y152-V155 PolarHBondContact O-N 3.26Å; Y152-A156 WeakPolarHBondContact O-CB 3.48Å; Y152-A156 PolarHBondContact O-N 3.13Å
153	F	98.8	Very high	98.3	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-55.2	-56.2	-173.1	-71	-12.5	0	0	0	112.3	I149 S150 V155 A156 S157 T183 A187 I191 Q219 L220 L223	I149-F153 HydrophobicContact CB-CE1 4.44Å; I149-F153 HydrophobicContact CG1-CE1 4.07Å; I149-F153 HydrophobicContact CG2-CE1 3.88Å; I149-F153 HydrophobicContact CG2-CZ 4.09Å; S150-F153 WeakPolarHBondContact O-CB 3.29Å; S150-F153 WeakPolarHBondContact O-CG 2.95Å; S150-F153 PolarHBondContact O-N 2.92Å; F153-V155 PolarHBondContact O-N 3.28Å; F153-A156 PolarHBondContact O-N 3.37Å; F153-S157 WeakPolarHBondContact O-CB 3.15Å; F153-S157 PolarHBondContact O-N 3.37Å; F153-S157 PolarHBondContact O-OG 2.79Å; F153-T183 HydrophobicContact CE1-CG2 3.79Å; F153-T183 HydrophobicContact CZ-CG2 4.15Å; F153-A187 HydrophobicContact CB-CB 3.97Å; F153-A187 HydrophobicContact CD1-CB 3.58Å; F153-A187 HydrophobicContact CD2-CB 4.23Å; F153-A187 HydrophobicContact CE1-CB 4.06Å; F153-A187 HydrophobicContact CG-CB 3.67Å; F153-I191 HydrophobicContact CB-CD1 4.12Å; F153-Q219 HydrophobicContact CE2-CB 4.3Å; F153-Q219 HydrophobicContact CZ-CB 4.04Å; F153-L220 HydrophobicContact CZ-CD2 4.1Å; F153-L220 HydrophobicContact CZ-CG 4.38Å; F153-L223 HydrophobicContact CD2-CB 4.23Å; F153-L223 HydrophobicContact CD2-CD1 4.42Å; F153-L223 HydrophobicContact CD2-CD2 3.73Å; F153-L223 HydrophobicContact CD2-CG 4.34Å; F153-L223 HydrophobicContact CE2-CB 4.1Å; F153-L223 HydrophobicContact CE2-CD2 4.09Å; F153-L223 HydrophobicContact CG-CD2 4.39Å
154	Y	98.6	Very high	98.2	Very high	103 Å²	103	48.5 Å²	48.5	40%	0.404	25%	0.252	S	S	.	.	H	α-helix	trans	-66.5	-38.6	-177.5	-68.5	-73.9	0	0	0	113.7	Y152 S157 K158 I191 E226	Y152-Y154 PolarHBondContact O-N 2.92Å; Y154-S157 PolarHBondContact O-N 3.46Å; Y154-K158 VanDerWaalsContact O-CB 3.32Å; Y154-K158 WeakPolarHBondContact O-CB 3.38Å; Y154-K158 PolarHBondContact O-N 2.84Å; Y154-I191 HydrophobicContact CD1-CD1 3.83Å; Y154-I191 HydrophobicContact CD1-CG1 4.49Å; Y154-I191 HydrophobicContact CD1-CG2 4.19Å; Y154-I191 HydrophobicContact CE1-CD1 3.77Å; Y154-I191 HydrophobicContact CE1-CG1 4.08Å; Y154-I191 HydrophobicContact CE1-CG2 4.1Å; Y154-I191 HydrophobicContact CG-CD1 4.39Å; Y154-E226 PolarHBondContact OH-OE1 2.96Å; Y154-E226 VanDerWaalsContact OH-OE1 3.06Å
155	V	98.7	Very high	98	Very high	60 Å²	60	51.7 Å²	51.7	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-69.5	-40.7	178.2	58	0	0	0	0	111.4	M137 F139 Y152 F153 K158 F159	M137-V155 HydrophobicContact CE-CG2 4.17Å; M137-V155 HydrophobicContact SD-CG2 3.95Å; F139-V155 HydrophobicContact CE1-CG1 4.01Å; F139-V155 HydrophobicContact CE1-CG2 4.38Å; F139-V155 HydrophobicContact CZ-CG1 3.79Å; F139-V155 HydrophobicContact CZ-CG2 4.33Å; Y152-V155 HydrophobicContact CD1-CG1 4.09Å; Y152-V155 WeakPolarHBondContact O-CG1 3.42Å; Y152-V155 PolarHBondContact O-N 3.26Å; F153-V155 PolarHBondContact O-N 3.28Å; V155-K158 PolarHBondContact O-N 3.26Å; V155-F159 PolarHBondContact O-N 3.35Å
156	A	98.9	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-48.4	173.2	0	0	0	0	0	111	L101 F139 Y152 F153 K158 F159 I160 C184	L101-A156 HydrophobicContact CD1-CB 4.01Å; F139-A156 HydrophobicContact CE2-CB 3.77Å; F139-A156 HydrophobicContact CZ-CB 4.19Å; Y152-A156 WeakPolarHBondContact O-CB 3.48Å; Y152-A156 PolarHBondContact O-N 3.13Å; F153-A156 PolarHBondContact O-N 3.37Å; A156-K158 VanDerWaalsContact C-N 3.35Å; A156-K158 PolarHBondContact O-N 3.04Å; A156-F159 PolarHBondContact O-N 3.36Å; A156-I160 VanDerWaalsContact O-CG1 3.26Å; A156-I160 WeakPolarHBondContact O-CG1 3.31Å; A156-I160 PolarHBondContact O-N 2.95Å; A156-C184 HydrophobicContact CB-CB 4.21Å
157	S	98.8	Very high	97.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-43	179.3	-59.1	0	0	0	0	112	F153 Y154 F159 I160 D161 Y188 I191	F153-S157 WeakPolarHBondContact O-CB 3.15Å; F153-S157 PolarHBondContact O-N 3.37Å; F153-S157 PolarHBondContact O-OG 2.79Å; Y154-S157 PolarHBondContact O-N 3.46Å; S157-F159 VanDerWaalsContact C-N 3.34Å; S157-F159 PolarHBondContact O-N 3.45Å; S157-I160 PolarHBondContact O-N 3.06Å; S157-D161 WeakPolarHBondContact O-CB 3.47Å; S157-D161 PolarHBondContact O-N 2.85Å; S157-Y188 VanDerWaalsContact OG-CA 3.22Å; S157-Y188 WeakPolarHBondContact OG-CA 3.26Å; S157-Y188 PolarHBondContact OG-N 3.32Å; S157-I191 WeakPolarHBondContact OG-CD1 3.5Å
158	K	98.7	Very high	97.2	Very high	163 Å²	163	44.4 Å²	44.4	71%	0.709	24%	0.236	S	C	*	.	H	α-helix	trans	-62.1	-41.4	175.7	-174.9	177.2	-178.9	178.6	0	111.9	Y154 V155 A156 S162	Y154-K158 VanDerWaalsContact O-CB 3.32Å; Y154-K158 WeakPolarHBondContact O-CB 3.38Å; Y154-K158 PolarHBondContact O-N 2.84Å; V155-K158 PolarHBondContact O-N 3.26Å; A156-K158 VanDerWaalsContact C-N 3.35Å; A156-K158 PolarHBondContact O-N 3.04Å; K158-S162 WeakPolarHBondContact O-CB 3.34Å; K158-S162 PolarHBondContact O-N 3.36Å
159	F	98.8	Very high	97.1	Very high	18 Å²	18	43.5 Å²	43.5	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-45.8	177.9	-174.5	-104	0	0	0	111.8	H99 L101 R135 M137 V155 A156 S157 S162 A163 I170	H99-F159 HydrophobicContact CB-CE1 4.19Å; H99-F159 HydrophobicContact CB-CZ 4.23Å; H99-F159 AromaticContact CD2-CZ 3.97Å; L101-F159 HydrophobicContact CB-CD1 4.04Å; L101-F159 HydrophobicContact CB-CE1 4.05Å; L101-F159 HydrophobicContact CD1-CB 4.39Å; L101-F159 HydrophobicContact CD1-CD1 3.77Å; L101-F159 HydrophobicContact CD1-CG 4.46Å; L101-F159 HydrophobicContact CG-CD1 4.39Å; R135-F159 HydrophobicContact CB-CE2 4.03Å; R135-F159 HydrophobicContact CB-CZ 4.06Å; M137-F159 HydrophobicContact CB-CD1 4.03Å; M137-F159 HydrophobicContact CB-CD2 4.02Å; M137-F159 HydrophobicContact CB-CE1 3.87Å; M137-F159 HydrophobicContact CB-CE2 3.88Å; M137-F159 HydrophobicContact CB-CG 4.08Å; M137-F159 HydrophobicContact CB-CZ 3.8Å; M137-F159 HydrophobicContact CE-CB 4.2Å; M137-F159 HydrophobicContact CE-CD2 3.8Å; M137-F159 HydrophobicContact CE-CE2 4.48Å; M137-F159 HydrophobicContact CE-CG 4.16Å; M137-F159 HydrophobicContact SD-CB 3.77Å; M137-F159 HydrophobicContact SD-CD1 4.46Å; M137-F159 HydrophobicContact SD-CD2 4.09Å; M137-F159 HydrophobicContact SD-CG 3.86Å; V155-F159 PolarHBondContact O-N 3.35Å; A156-F159 PolarHBondContact O-N 3.36Å; S157-F159 VanDerWaalsContact C-N 3.34Å; S157-F159 PolarHBondContact O-N 3.45Å; F159-S162 PolarHBondContact O-N 3.39Å; F159-S162 PolarHBondContact O-OG 3.42Å; F159-A163 PolarHBondContact O-N 2.91Å; F159-A163 VanDerWaalsContact O-N 3.14Å; F159-I170 HydrophobicContact CD1-CD1 3.69Å; F159-I170 HydrophobicContact CE1-CD1 3.73Å
160	I	98.8	Very high	97.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-49	175.2	-65.1	161.9	0	0	0	110.4	I78 A156 S157 S162 A163 I164 I170 V172 Y188	I78-I160 HydrophobicContact CD1-CG2 3.68Å; I78-I160 HydrophobicContact CG1-CG2 4.2Å; A156-I160 VanDerWaalsContact O-CG1 3.26Å; A156-I160 WeakPolarHBondContact O-CG1 3.31Å; A156-I160 PolarHBondContact O-N 2.95Å; S157-I160 PolarHBondContact O-N 3.06Å; I160-S162 VanDerWaalsContact C-N 3.28Å; I160-S162 PolarHBondContact O-N 3.35Å; I160-A163 WeakPolarHBondContact O-CB 3.45Å; I160-A163 PolarHBondContact O-N 2.85Å; I160-A163 VanDerWaalsContact O-N 3.08Å; I160-I164 WeakPolarHBondContact O-CG1 3.44Å; I160-I164 PolarHBondContact O-N 3.27Å; I160-I164 VanDerWaalsContact O-N 3.12Å; I160-I170 HydrophobicContact CB-CD1 4.37Å; I160-I170 HydrophobicContact CG1-CD1 3.88Å; I160-I170 HydrophobicContact CG2-CG2 4.28Å; I160-V172 HydrophobicContact CD1-CG2 4.12Å; I160-V172 HydrophobicContact CG1-CG2 4.05Å; I160-Y188 HydrophobicContact CB-CD2 3.77Å; I160-Y188 HydrophobicContact CB-CE2 4.1Å; I160-Y188 HydrophobicContact CB-CG 4.06Å; I160-Y188 HydrophobicContact CD1-CG 4.13Å; I160-Y188 HydrophobicContact CG2-CD1 3.81Å; I160-Y188 HydrophobicContact CG2-CD2 3.57Å; I160-Y188 HydrophobicContact CG2-CE1 3.86Å; I160-Y188 HydrophobicContact CG2-CE2 3.59Å; I160-Y188 HydrophobicContact CG2-CG 3.65Å
161	D	98.3	Very high	97.1	Very high	47 Å²	47	41.3 Å²	41.3	25%	0.251	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-36.8	179.9	-163.9	74.3	0	0	0	111.9	S157 A163 I164 S165 Y188 R193	S157-D161 WeakPolarHBondContact O-CB 3.47Å; S157-D161 PolarHBondContact O-N 2.85Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.96Å; D161-I164 PolarHBondContact O-N 2.84Å; D161-S165 VanDerWaalsContact O-CB 3.24Å; D161-S165 WeakPolarHBondContact O-CB 3.39Å; D161-S165 PolarHBondContact O-N 3.23Å; D161-S165 PolarHBondContact O-OG 3.47Å; D161-S165 VanDerWaalsContact O-OG 3.09Å; D161-S165 PolarHBondContact OD2-OG 2.96Å; D161-Y188 HydrophobicContact CB-CE2 3.89Å; D161-R193 IonicContact OD1-CZ 2.81Å; D161-R193 IonicContact OD1-NH1 3.83Å; D161-R193 PolarHBondContact OD1-NH1 3.1Å; D161-R193 VanDerWaalsContact OD1-NH1 3.1Å; D161-R193 IonicContact OD1-NH2 3.14Å
162	S	96.7	Very high	97.1	Very high	38 Å²	38	34.2 Å²	34.2	27%	0.266	19%	0.187	S	C	.	.	H	α-helix	trans	-63.5	-35.4	175.3	80.6	0	0	0	0	112.8	K158 F159 I160 S166	K158-S162 WeakPolarHBondContact O-CB 3.34Å; K158-S162 PolarHBondContact O-N 3.36Å; F159-S162 PolarHBondContact O-N 3.39Å; F159-S162 PolarHBondContact O-OG 3.42Å; I160-S162 VanDerWaalsContact C-N 3.28Å; I160-S162 PolarHBondContact O-N 3.35Å; S162-S166 VanDerWaalsContact O-CB 3.31Å; S162-S166 WeakPolarHBondContact O-CB 3.31Å; S162-S166 PolarHBondContact O-N 3.37Å; S162-S166 PolarHBondContact O-OG 3.41Å
163	A	96.2	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-49.2	175.4	0	0	0	0	0	110.5	H99 F159 I160 D161 S166 G168 I170	H99-A163 HydrophobicContact CB-CB 3.73Å; H99-A163 WeakPolarHBondContact ND1-CB 3.5Å; F159-A163 PolarHBondContact O-N 2.91Å; F159-A163 VanDerWaalsContact O-N 3.14Å; I160-A163 WeakPolarHBondContact O-CB 3.45Å; I160-A163 PolarHBondContact O-N 2.85Å; I160-A163 VanDerWaalsContact O-N 3.08Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.96Å; A163-S166 PolarHBondContact O-N 2.99Å; A163-S166 PolarHBondContact O-OG 2.95Å; A163-G168 WeakPolarHBondContact O-CA 3.36Å; A163-G168 PolarHBondContact O-N 3.09Å; A163-I170 HydrophobicContact CB-CB 3.78Å; A163-I170 HydrophobicContact CB-CD1 4.17Å; A163-I170 HydrophobicContact CB-CG1 4.49Å; A163-I170 HydrophobicContact CB-CG2 4.19Å
164	I	95.9	Very high	97.1	Very high	36 Å²	36	32.4 Å²	32.4	19%	0.185	18%	0.18	C	C	.	.	H	α-helix	trans	-67.5	-47.6	-177.7	-58.6	-54	0	0	0	111.7	I78 I160 D161 S166 G167 I170	I78-I164 HydrophobicContact CD1-CD1 4.43Å; I78-I164 HydrophobicContact CD1-CG1 4.3Å; I78-I164 HydrophobicContact CG1-CD1 3.71Å; I78-I164 HydrophobicContact CG1-CG1 4.09Å; I160-I164 WeakPolarHBondContact O-CG1 3.44Å; I160-I164 PolarHBondContact O-N 3.27Å; I160-I164 VanDerWaalsContact O-N 3.12Å; D161-I164 PolarHBondContact O-N 2.84Å; I164-S166 PolarHBondContact O-N 2.97Å; I164-S166 VanDerWaalsContact O-N 3.16Å; I164-G167 PolarHBondContact O-N 2.95Å; I164-I170 HydrophobicContact CD1-CG2 4.36Å
165	S	93.8	Very high	97	Very high	90 Å²	90	30.9 Å²	30.9	63%	0.629	18%	0.178	S	C	*	.	H	α-helix	trans	-63.6	-19.7	177.9	-64.6	0	0	0	0	113.3	D161 G167	D161-S165 VanDerWaalsContact O-CB 3.24Å; D161-S165 WeakPolarHBondContact O-CB 3.39Å; D161-S165 PolarHBondContact O-N 3.23Å; D161-S165 PolarHBondContact O-OG 3.47Å; D161-S165 VanDerWaalsContact O-OG 3.09Å; D161-S165 PolarHBondContact OD2-OG 2.96Å; S165-G167 VanDerWaalsContact C-N 3.3Å
166	S	91.9	Very high	96.9	Very high	31 Å²	31	31.3 Å²	31.3	22%	0.217	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1	171.4	77	0	0	0	0	114.5	C132 S162 A163 I164 G168	C132-S166 PolarHBondContact SG-O 2.96Å; S162-S166 VanDerWaalsContact O-CB 3.31Å; S162-S166 WeakPolarHBondContact O-CB 3.31Å; S162-S166 PolarHBondContact O-N 3.37Å; S162-S166 PolarHBondContact O-OG 3.41Å; A163-S166 PolarHBondContact O-N 2.99Å; A163-S166 PolarHBondContact O-OG 2.95Å; I164-S166 PolarHBondContact O-N 2.97Å; I164-S166 VanDerWaalsContact O-N 3.16Å; S166-G168 PolarHBondContact O-N 2.86Å
167	G	91.5	Very high	96.8	Very high	37 Å²	37	31.3 Å²	31.3	38%	0.381	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	11.8	-170.8	0	0	0	0	0	113.5	R127 I164 S165	R127-G167 WeakPolarHBondContact CD-O 3.25Å; R127-G167 PolarHBondContact NE-O 3.24Å; I164-G167 PolarHBondContact O-N 2.95Å; S165-G167 VanDerWaalsContact C-N 3.3Å
168	G	94	Very high	96.6	Very high	6 Å²	6	34 Å²	34	6%	0.062	19%	0.194	C	C	.	.			trans	-83.7	176.5	-179.5	0	0	0	0	0	113.2	T98 A163 S166	T98-G168 VanDerWaalsContact OG1-CA 3.27Å; T98-G168 WeakPolarHBondContact OG1-CA 3.48Å; A163-G168 WeakPolarHBondContact O-CA 3.36Å; A163-G168 PolarHBondContact O-N 3.09Å; S166-G168 PolarHBondContact O-N 2.86Å
169	K	96	Very high	96.6	Very high	48 Å²	48	26.4 Å²	26.4	21%	0.209	16%	0.162	C	C	.	.			trans	-118.7	142.8	168.9	-63.7	179.3	171.6	-164.1	0	109.9	G77 Y79 M95 I97 T98 H99	G77-K169 CarbonylContact O-C 3.16Å; G77-K169 WeakPolarHBondContact O-CA 3.25Å; Y79-K169 HydrophobicContact CE2-CB 4.1Å; Y79-K169 HydrophobicContact CE2-CD 3.87Å; Y79-K169 HydrophobicContact CE2-CG 4.2Å; Y79-K169 PolarHBondContact OH-NZ 3.02Å; Y79-K169 VanDerWaalsContact OH-NZ 3.13Å; M95-K169 VanDerWaalsContact O-CD 3.31Å; M95-K169 WeakPolarHBondContact O-CD 3.49Å; M95-K169 PolarHBondContact O-NZ 3.21Å; I97-K169 HydrophobicContact CD1-CB 4.07Å; T98-K169 PolarHBondContact N-O 3.06Å; T98-K169 PolarHBondContact OG1-N 3.47Å; T98-K169 PolarHBondContact OG1-O 3.25Å; H99-K169 PolarHBondContact N-O 3.42Å
170	I	98.5	Very high	96.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135	-179.4	-175.5	164.9	0	0	0	111.8	G77 I78 Y79 H99 L101 F159 I160 A163 I164 V172	G77-I170 PolarHBondContact O-N 3.44Å; I78-I170 HydrophobicContact CB-CG2 4.31Å; I78-I170 HydrophobicContact CG1-CG2 4Å; I78-I170 HydrophobicContact CG2-CG2 4.28Å; Y79-I170 PolarHBondContact N-O 3.15Å; H99-I170 HydrophobicContact CB-CB 3.88Å; H99-I170 HydrophobicContact CB-CD1 3.96Å; H99-I170 HydrophobicContact CB-CG1 3.76Å; H99-I170 VanDerWaalsContact O-CA 3.31Å; H99-I170 WeakPolarHBondContact O-CA 3.06Å; L101-I170 HydrophobicContact CB-CD1 4.27Å; F159-I170 HydrophobicContact CD1-CD1 3.69Å; F159-I170 HydrophobicContact CE1-CD1 3.73Å; I160-I170 HydrophobicContact CB-CD1 4.37Å; I160-I170 HydrophobicContact CG1-CD1 3.88Å; I160-I170 HydrophobicContact CG2-CG2 4.28Å; A163-I170 HydrophobicContact CB-CB 3.78Å; A163-I170 HydrophobicContact CB-CD1 4.17Å; A163-I170 HydrophobicContact CB-CG1 4.49Å; A163-I170 HydrophobicContact CB-CG2 4.19Å; I164-I170 HydrophobicContact CD1-CG2 4.36Å; I170-V172 HydrophobicContact CD1-CG2 4.12Å; I170-V172 HydrophobicContact CG1-CG2 4.03Å
171	L	98.7	Very high	96.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.8	162.3	172.4	64.4	0	0	0	109	A85 A86 L92 I97 H99 V100 L101 H173	A85-L171 HydrophobicContact CB-CD2 4.45Å; A86-L171 HydrophobicContact CB-CD2 4.27Å; L92-L171 HydrophobicContact CD2-CD2 3.55Å; I97-L171 HydrophobicContact CD1-CB 4.3Å; I97-L171 HydrophobicContact CG2-CB 4.06Å; H99-L171 PolarHBondContact O-N 2.81Å; V100-L171 CarbonylContact C-O 3.56Å; V100-L171 WeakPolarHBondContact CA-O 3.31Å; V100-L171 HydrophobicContact CG2-CB 4.37Å; L101-L171 PolarHBondContact N-O 3.08Å; L171-H173 HydrophobicContact CD1-CB 4.26Å; L171-H173 HydrophobicContact CD2-CB 4.34Å; L171-H173 HydrophobicContact CG-CB 4.13Å
172	V	98.9	Very high	96.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.6	169.4	-174.8	0	0	0	0	107.8	Y79 I80 G81 L101 I160 I170 S181 C184 V185	Y79-V172 PolarHBondContact O-N 2.94Å; I80-V172 VanDerWaalsContact CA-O 3.31Å; I80-V172 WeakPolarHBondContact CA-O 3.4Å; G81-V172 PolarHBondContact N-O 2.93Å; L101-V172 HydrophobicContact CB-CG1 4.34Å; L101-V172 HydrophobicContact CB-CG2 4.22Å; L101-V172 HydrophobicContact CD2-CG1 3.69Å; L101-V172 WeakPolarHBondContact O-CA 3.4Å; I160-V172 HydrophobicContact CD1-CG2 4.12Å; I160-V172 HydrophobicContact CG1-CG2 4.05Å; I170-V172 HydrophobicContact CD1-CG2 4.12Å; I170-V172 HydrophobicContact CG1-CG2 4.03Å; V172-S181 WeakPolarHBondContact O-CB 3.43Å; V172-C184 HydrophobicContact CG1-CB 4.23Å; V172-V185 HydrophobicContact CB-CG2 3.78Å; V172-V185 HydrophobicContact CG1-CG2 3.91Å; V172-V185 HydrophobicContact CG2-CG2 3.86Å
173	H	98.7	Very high	96.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	162.1	-173	80.6	92.2	0	0	0	112.6	G81 A86 L101 N102 A103 L171 S181	G81-H173 VanDerWaalsContact O-CA 3.32Å; G81-H173 WeakPolarHBondContact O-CA 3.15Å; G81-H173 VanDerWaalsContact O-CB 3.23Å; G81-H173 WeakPolarHBondContact O-CB 3.47Å; A86-H173 HydrophobicContact CB-CB 4.32Å; A86-H173 VanDerWaalsContact CB-CD2 3.49Å; A86-H173 WeakPolarHBondContact CB-CD2 3.21Å; A86-H173 WeakPolarHBondContact CB-CE1 3.49Å; A86-H173 VanDerWaalsContact CB-CG 3.5Å; A86-H173 WeakPolarHBondContact CB-ND1 3.49Å; A86-H173 WeakPolarHBondContact CB-NE2 3.31Å; L101-H173 PolarHBondContact O-CD2 2.62Å; L101-H173 PolarHBondContact O-N 3.48Å; N102-H173 WeakPolarHBondContact CA-NE2 3.4Å; N102-H173 VanDerWaalsContact CB-NE2 3.31Å; N102-H173 WeakPolarHBondContact CB-NE2 3.08Å; N102-H173 PolarHBondContact OD1-CE1 3.37Å; N102-H173 VanDerWaalsContact OD1-CE1 3.25Å; A103-H173 WeakPolarHBondContact CB-O 3.45Å; A103-H173 PolarHBondContact N-O 2.88Å; L171-H173 HydrophobicContact CD1-CB 4.26Å; L171-H173 HydrophobicContact CD2-CB 4.34Å; L171-H173 HydrophobicContact CG-CB 4.13Å; H173-S181 VanDerWaalsContact C-CB 3.47Å
174	C	98.2	Very high	96.9	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.014	13%	0.134	C	C	.	.			trans	-137.1	-148.3	163.7	67.8	0	0	0	0	107.7	D82 A83 A103 A104 G177 R180 S181	D82-C174 CarbonylContact C-O 3.59Å; A83-C174 PolarHBondContact N-O 3.36Å; A103-C174 HydrophobicContact CB-CB 4.45Å; A104-C174 HydrophobicContact CB-CB 3.89Å; C174-G177 PolarHBondContact SG-N 3.27Å; C174-R180 HydrophobicContact CB-CB 3.87Å; C174-S181 PolarHBondContact SG-OG 3.33Å; C174-S181 VanDerWaalsContact SG-OG 3.42Å
175	L	97.6	Very high	97	Very high	70 Å²	70	20 Å²	20	37%	0.366	13%	0.125	S	C	.	.	S	Bend	trans	-65.8	-52.5	175.9	-177	63.6	0	0	0	112.1	A83 V112	A83-L175 HydrophobicContact CB-CD1 4.14Å; A83-L175 PolarHBondContact N-O 3.47Å; V112-L175 HydrophobicContact CG2-CB 4.42Å; V112-L175 HydrophobicContact CG2-CD1 4.3Å
176	V	96.1	Very high	97.2	Very high	70 Å²	70	15.8 Å²	15.8	42%	0.424	10%	0.096	S	C	.	.	S	Bend	trans	-111.4	-15.7	-173.9	-173.9	0	0	0	0	112.2	M178 R208	V176-M178 HydrophobicContact CG1-CE 3.6Å; V176-M178 HydrophobicContact CG1-CG 3.97Å; V176-M178 HydrophobicContact CG1-SD 3.77Å; V176-R208 PolarHBondContact O-NH2 2.93Å; V176-R208 VanDerWaalsContact O-NH2 3.08Å
177	G	96.5	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	75.4	28	-177.7	0	0	0	0	0	114.6	I80 G81 C174 S181 R208	I80-G177 WeakPolarHBondContact CG2-O 3.24Å; G81-G177 WeakPolarHBondContact O-CA 3.15Å; C174-G177 PolarHBondContact SG-N 3.27Å; G177-S181 WeakPolarHBondContact CA-OG 3.45Å; G177-R208 PolarHBondContact O-NE 3.06Å; G177-R208 PolarHBondContact O-NH2 3.12Å
178	M	96	Very high	97.9	Very high	56 Å²	56	12.6 Å²	12.6	28%	0.276	7%	0.067	S	C	.	.	S	Bend	trans	-115.6	-35.4	-177.5	-69.9	178.2	-169.4	0	0	114.6	V176 A182 I210 R211	V176-M178 HydrophobicContact CG1-CE 3.6Å; V176-M178 HydrophobicContact CG1-CG 3.97Å; V176-M178 HydrophobicContact CG1-SD 3.77Å; M178-A182 VanDerWaalsContact O-CB 3.3Å; M178-A182 WeakPolarHBondContact O-CB 3.46Å; M178-I210 CarbonylContact O-C 3.57Å; M178-I210 WeakPolarHBondContact O-CA 3.22Å; M178-R211 CarbonylContact O-C 3.49Å; M178-R211 PolarHBondContact O-N 2.96Å
179	S	98.2	Very high	98.2	Very high	4 Å²	4	12.3 Å²	12.3	3%	0.028	6%	0.064	C	C	.	.	S	Bend	trans	-112.1	-86.5	-172.4	174.8	0	0	0	0	111.2	D143 S181 A182 T183 R211 N213 F216	D143-S179 WeakPolarHBondContact OD1-CB 3.13Å; D143-S179 PolarHBondContact OD1-OG 2.98Å; D143-S179 WeakPolarHBondContact OD2-CB 3.45Å; D143-S179 PolarHBondContact OD2-OG 3.19Å; S179-S181 PolarHBondContact O-N 3.25Å; S179-A182 WeakPolarHBondContact O-CA 3.39Å; S179-A182 WeakPolarHBondContact O-CB 3.48Å; S179-A182 PolarHBondContact O-N 2.9Å; S179-T183 PolarHBondContact O-N 2.99Å; S179-T183 PolarHBondContact O-OG1 3.26Å; S179-T183 VanDerWaalsContact O-OG1 3.06Å; S179-R211 WeakPolarHBondContact CB-O 3.35Å; S179-N213 PolarHBondContact OG-N 3.39Å; S179-F216 WeakPolarHBondContact OG-CD2 3.36Å
180	R	98.7	Very high	98.3	Very high	6 Å²	6	10.1 Å²	10.1	2%	0.023	6%	0.055	C	C	.	.	H	α-helix	trans	-46.6	-54.4	-176.6	-70	167.9	-75	176.4	-2.9	114.9	A103 G110 M141 D143 C174 T183 C184 F216	A103-R180 HydrophobicContact CB-CB 4.01Å; A103-R180 WeakPolarHBondContact O-CD 3.36Å; G110-R180 VanDerWaalsContact O-CZ 3.27Å; G110-R180 PolarHBondContact O-NH1 3.11Å; G110-R180 PolarHBondContact O-NH2 3.02Å; M141-R180 PolarHBondContact O-NH1 3.13Å; D143-R180 HydrophobicContact CB-CG 4.31Å; D143-R180 IonicContact OD2-NE 3.94Å; C174-R180 HydrophobicContact CB-CB 3.87Å; R180-T183 PolarHBondContact O-N 3.35Å; R180-C184 PolarHBondContact O-N 2.94Å; R180-C184 VanDerWaalsContact O-N 3.13Å; R180-C184 PolarHBondContact O-SG 3.38Å; R180-F216 HydrophobicContact CB-CE2 4.44Å; R180-F216 HydrophobicContact CG-CE2 3.62Å; R180-F216 HydrophobicContact CG-CZ 4.06Å
181	S	98.8	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.6	-39.9	179.7	49.5	0	0	0	0	112.8	V172 H173 C174 G177 S179 C184 V185	V172-S181 WeakPolarHBondContact O-CB 3.43Å; H173-S181 VanDerWaalsContact C-CB 3.47Å; C174-S181 PolarHBondContact SG-OG 3.33Å; C174-S181 VanDerWaalsContact SG-OG 3.42Å; G177-S181 WeakPolarHBondContact CA-OG 3.45Å; S179-S181 PolarHBondContact O-N 3.25Å; S181-C184 PolarHBondContact O-N 3.47Å; S181-V185 PolarHBondContact O-N 2.91Å; S181-V185 VanDerWaalsContact O-N 3.09Å
182	A	98.5	Very high	98.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-45.6	175.1	0	0	0	0	0	111	I80 M178 S179 C184 V185 L186 I210	I80-A182 HydrophobicContact CD1-CB 4.21Å; M178-A182 VanDerWaalsContact O-CB 3.3Å; M178-A182 WeakPolarHBondContact O-CB 3.46Å; S179-A182 WeakPolarHBondContact O-CA 3.39Å; S179-A182 WeakPolarHBondContact O-CB 3.48Å; S179-A182 PolarHBondContact O-N 2.9Å; A182-C184 VanDerWaalsContact C-N 3.33Å; A182-C184 PolarHBondContact O-N 2.96Å; A182-V185 PolarHBondContact O-N 3.1Å; A182-V185 VanDerWaalsContact O-N 3.13Å; A182-L186 VanDerWaalsContact O-CG 3.25Å; A182-L186 WeakPolarHBondContact O-CG 3.46Å; A182-L186 PolarHBondContact O-N 2.68Å; A182-I210 HydrophobicContact CB-CB 3.78Å; A182-I210 HydrophobicContact CB-CD1 4.28Å; A182-I210 HydrophobicContact CB-CG2 3.57Å
183	T	98.9	Very high	98.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.4	-43.8	176.2	-53	0	0	0	0	112	I149 F153 S179 R180 V185 L186 A187 F216 L220	I149-T183 HydrophobicContact CD1-CG2 3.94Å; I149-T183 HydrophobicContact CG1-CG2 4.42Å; I149-T183 HydrophobicContact CG2-CG2 4.12Å; F153-T183 HydrophobicContact CE1-CG2 3.79Å; F153-T183 HydrophobicContact CZ-CG2 4.15Å; S179-T183 PolarHBondContact O-N 2.99Å; S179-T183 PolarHBondContact O-OG1 3.26Å; S179-T183 VanDerWaalsContact O-OG1 3.06Å; R180-T183 PolarHBondContact O-N 3.35Å; T183-V185 PolarHBondContact O-N 3.37Å; T183-L186 PolarHBondContact O-N 2.91Å; T183-A187 WeakPolarHBondContact O-CB 3.43Å; T183-A187 PolarHBondContact O-N 2.76Å; T183-F216 HydrophobicContact CG2-CB 3.98Å; T183-F216 HydrophobicContact CG2-CD2 4.49Å; T183-F216 HydrophobicContact CG2-CG 4.34Å; T183-F216 WeakPolarHBondContact OG1-CD2 3.45Å; T183-L220 HydrophobicContact CG2-CD1 3.99Å; T183-L220 HydrophobicContact CG2-CD2 4.17Å; T183-L220 HydrophobicContact CG2-CG 3.98Å
184	C	98.9	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-42.1	175.6	-67.2	0	0	0	0	112.8	A156 V172 R180 S181 A182 Y188	A156-C184 HydrophobicContact CB-CB 4.21Å; V172-C184 HydrophobicContact CG1-CB 4.23Å; R180-C184 PolarHBondContact O-N 2.94Å; R180-C184 VanDerWaalsContact O-N 3.13Å; R180-C184 PolarHBondContact O-SG 3.38Å; S181-C184 PolarHBondContact O-N 3.47Å; A182-C184 VanDerWaalsContact C-N 3.33Å; A182-C184 PolarHBondContact O-N 2.96Å; C184-Y188 PolarHBondContact O-N 3.25Å; C184-Y188 VanDerWaalsContact O-N 3.11Å
185	V	98.9	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.3	-40.9	177.6	172.5	0	0	0	0	111.5	V74 I78 I80 V172 S181 A182 T183 Y188 L189 V204	V74-V185 HydrophobicContact CG2-CG1 4.01Å; I78-V185 HydrophobicContact CG2-CG1 4.1Å; I78-V185 HydrophobicContact CG2-CG2 3.94Å; I80-V185 HydrophobicContact CD1-CB 4.01Å; I80-V185 HydrophobicContact CD1-CG1 4.28Å; I80-V185 HydrophobicContact CD1-CG2 3.92Å; I80-V185 HydrophobicContact CG1-CB 4.45Å; I80-V185 HydrophobicContact CG1-CG2 3.82Å; V172-V185 HydrophobicContact CB-CG2 3.78Å; V172-V185 HydrophobicContact CG1-CG2 3.91Å; V172-V185 HydrophobicContact CG2-CG2 3.86Å; S181-V185 PolarHBondContact O-N 2.91Å; S181-V185 VanDerWaalsContact O-N 3.09Å; A182-V185 PolarHBondContact O-N 3.1Å; A182-V185 VanDerWaalsContact O-N 3.13Å; T183-V185 PolarHBondContact O-N 3.37Å; V185-Y188 WeakPolarHBondContact O-CB 3.41Å; V185-Y188 PolarHBondContact O-N 3.49Å; V185-L189 HydrophobicContact CG1-CD1 4.41Å; V185-L189 HydrophobicContact CG1-CG 4.49Å; V185-L189 WeakPolarHBondContact O-CG 3.47Å; V185-L189 PolarHBondContact O-N 2.82Å; V185-V204 HydrophobicContact CG1-CG2 4.14Å
186	L	98.8	Very high	97.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-59.6	-48.5	175.7	-68.9	173.9	0	0	0	111.1	A182 T183 Y188 L189 M190 A200 I201 V204 I210 P212 L220	A182-L186 VanDerWaalsContact O-CG 3.25Å; A182-L186 WeakPolarHBondContact O-CG 3.46Å; A182-L186 PolarHBondContact O-N 2.68Å; T183-L186 PolarHBondContact O-N 2.91Å; L186-Y188 VanDerWaalsContact C-N 3.27Å; L186-Y188 PolarHBondContact O-N 3.2Å; L186-L189 PolarHBondContact O-N 3.19Å; L186-L189 VanDerWaalsContact O-N 3.11Å; L186-M190 VanDerWaalsContact O-CG 3.3Å; L186-M190 WeakPolarHBondContact O-CG 3.47Å; L186-M190 PolarHBondContact O-N 3.28Å; L186-A200 HydrophobicContact CD2-CB 3.94Å; L186-A200 VanDerWaalsContact CD2-O 3.31Å; L186-A200 WeakPolarHBondContact CD2-O 3.37Å; L186-I201 HydrophobicContact CD1-CG1 3.92Å; L186-I201 HydrophobicContact CD2-CB 4.46Å; L186-I201 HydrophobicContact CD2-CG1 3.97Å; L186-V204 HydrophobicContact CD2-CB 4.21Å; L186-V204 HydrophobicContact CD2-CG2 3.83Å; L186-I210 HydrophobicContact CD1-CD1 3.95Å; L186-I210 HydrophobicContact CD2-CD1 4.29Å; L186-I210 HydrophobicContact CG-CD1 4.41Å; L186-P212 HydrophobicContact CD1-CG 4.14Å; L186-L220 HydrophobicContact CB-CD1 4.11Å; L186-L220 HydrophobicContact CB-CD2 4Å; L186-L220 HydrophobicContact CD1-CD1 3.65Å
187	A	98.9	Very high	97.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.8	-40.6	176.1	0	0	0	0	0	112	F153 T183 M190 I191 L220 L223	F153-A187 HydrophobicContact CB-CB 3.97Å; F153-A187 HydrophobicContact CD1-CB 3.58Å; F153-A187 HydrophobicContact CD2-CB 4.23Å; F153-A187 HydrophobicContact CE1-CB 4.06Å; F153-A187 HydrophobicContact CG-CB 3.67Å; T183-A187 WeakPolarHBondContact O-CB 3.43Å; T183-A187 PolarHBondContact O-N 2.76Å; A187-M190 PolarHBondContact O-N 2.99Å; A187-I191 WeakPolarHBondContact O-CB 3.34Å; A187-I191 WeakPolarHBondContact O-CD1 3.4Å; A187-I191 VanDerWaalsContact O-CG1 3.28Å; A187-I191 WeakPolarHBondContact O-CG1 3.21Å; A187-I191 PolarHBondContact O-N 3.24Å; A187-L220 HydrophobicContact CB-CD2 4.18Å; A187-L223 HydrophobicContact CB-CD2 3.9Å
188	Y	98.8	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-45.1	173.5	161.4	-93.4	0	0	0	113.4	I78 S157 I160 D161 C184 V185 L186 M190 I191 C192 R193	I78-Y188 HydrophobicContact CD1-CD1 3.74Å; I78-Y188 HydrophobicContact CD1-CE1 3.15Å; S157-Y188 VanDerWaalsContact OG-CA 3.22Å; S157-Y188 WeakPolarHBondContact OG-CA 3.26Å; S157-Y188 PolarHBondContact OG-N 3.32Å; I160-Y188 HydrophobicContact CB-CD2 3.77Å; I160-Y188 HydrophobicContact CB-CE2 4.1Å; I160-Y188 HydrophobicContact CB-CG 4.06Å; I160-Y188 HydrophobicContact CD1-CG 4.13Å; I160-Y188 HydrophobicContact CG2-CD1 3.81Å; I160-Y188 HydrophobicContact CG2-CD2 3.57Å; I160-Y188 HydrophobicContact CG2-CE1 3.86Å; I160-Y188 HydrophobicContact CG2-CE2 3.59Å; I160-Y188 HydrophobicContact CG2-CG 3.65Å; D161-Y188 HydrophobicContact CB-CE2 3.89Å; C184-Y188 PolarHBondContact O-N 3.25Å; C184-Y188 VanDerWaalsContact O-N 3.11Å; V185-Y188 WeakPolarHBondContact O-CB 3.41Å; V185-Y188 PolarHBondContact O-N 3.49Å; L186-Y188 VanDerWaalsContact C-N 3.27Å; L186-Y188 PolarHBondContact O-N 3.2Å; Y188-M190 PolarHBondContact O-N 3.41Å; Y188-I191 PolarHBondContact O-N 3.41Å; Y188-C192 HydrophobicContact CD2-CB 3.66Å; Y188-C192 HydrophobicContact CE2-CB 3.48Å; Y188-C192 VanDerWaalsContact CE2-CB 3.48Å; Y188-C192 WeakPolarHBondContact O-CB 3.38Å; Y188-C192 PolarHBondContact O-N 3.42Å; Y188-R193 HydrophobicContact CE1-CG 4.23Å; Y188-R193 PolarHBondContact OH-NH1 3.41Å; Y188-R193 PolarHBondContact OH-NH2 2.92Å
189	L	98.7	Very high	97.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-36.2	178.2	-68.4	177.2	0	0	0	111.1	Y75 V185 L186 R193 K194 M195 A200 T203 V204	Y75-L189 HydrophobicContact CD1-CD2 4.12Å; Y75-L189 HydrophobicContact CD2-CD2 3.78Å; Y75-L189 HydrophobicContact CE1-CD2 4.35Å; Y75-L189 HydrophobicContact CE2-CD2 4.03Å; Y75-L189 HydrophobicContact CG-CD2 3.83Å; V185-L189 HydrophobicContact CG1-CD1 4.41Å; V185-L189 HydrophobicContact CG1-CG 4.49Å; V185-L189 WeakPolarHBondContact O-CG 3.47Å; V185-L189 PolarHBondContact O-N 2.82Å; L186-L189 PolarHBondContact O-N 3.19Å; L186-L189 VanDerWaalsContact O-N 3.11Å; L189-R193 HydrophobicContact CD2-CB 4.39Å; L189-R193 HydrophobicContact CD2-CG 4.13Å; L189-R193 CarbonylContact O-C 3.22Å; L189-R193 VanDerWaalsContact O-CA 3.26Å; L189-R193 WeakPolarHBondContact O-CA 3.49Å; L189-R193 VanDerWaalsContact O-CB 3.26Å; L189-R193 WeakPolarHBondContact O-CB 3.34Å; L189-R193 PolarHBondContact O-N 2.91Å; L189-R193 VanDerWaalsContact O-N 3.11Å; L189-K194 PolarHBondContact O-N 3.06Å; L189-K194 VanDerWaalsContact O-N 3.16Å; L189-M195 HydrophobicContact CB-SD 3.96Å; L189-M195 HydrophobicContact CD1-SD 4.29Å; L189-M195 HydrophobicContact CD2-SD 4.28Å; L189-M195 HydrophobicContact CG-SD 4.41Å; L189-M195 PolarHBondContact O-N 3.13Å; L189-A200 HydrophobicContact CB-CB 3.87Å; L189-A200 HydrophobicContact CD1-CB 4.28Å; L189-T203 HydrophobicContact CD1-CG2 4.33Å; L189-V204 HydrophobicContact CD1-CG2 3.66Å
190	M	98.4	Very high	97.9	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.015	11%	0.107	C	C	.	.	H	α-helix	trans	-68.2	-51.7	175.6	-61.7	165.3	63.8	0	0	112	L186 A187 Y188 K194 M195 A197 A200 L220 L223 D224 L227	L186-M190 VanDerWaalsContact O-CG 3.3Å; L186-M190 WeakPolarHBondContact O-CG 3.47Å; L186-M190 PolarHBondContact O-N 3.28Å; A187-M190 PolarHBondContact O-N 2.99Å; Y188-M190 PolarHBondContact O-N 3.41Å; M190-K194 WeakPolarHBondContact O-CA 3.41Å; M190-K194 PolarHBondContact O-N 3.28Å; M190-M195 VanDerWaalsContact CA-O 3.28Å; M190-M195 WeakPolarHBondContact CA-O 3.46Å; M190-M195 WeakPolarHBondContact CG-O 3.43Å; M190-A197 HydrophobicContact CE-CB 3.83Å; M190-A197 HydrophobicContact SD-CB 3.97Å; M190-A200 HydrophobicContact CG-CB 3.99Å; M190-L220 WeakPolarHBondContact CE-O 3.4Å; M190-L220 HydrophobicContact SD-CD2 3.92Å; M190-L223 HydrophobicContact CB-CD2 4.35Å; M190-L223 HydrophobicContact CE-CB 4.05Å; M190-L223 HydrophobicContact CE-CD2 3.85Å; M190-L223 HydrophobicContact CE-CG 3.82Å; M190-L223 HydrophobicContact SD-CD2 4.06Å; M190-D224 HydrophobicContact CE-CB 3.64Å; M190-L227 HydrophobicContact CB-CD1 3.76Å; M190-L227 HydrophobicContact CE-CD1 4.37Å
191	I	98	Very high	97.8	Very high	40 Å²	40	21.2 Å²	21.2	21%	0.205	11%	0.106	C	C	.	.	H	α-helix	trans	-71.7	-49.6	-174.6	-67.1	162.8	0	0	0	112	F153 Y154 S157 A187 Y188 L223 L227	F153-I191 HydrophobicContact CB-CD1 4.12Å; Y154-I191 HydrophobicContact CD1-CD1 3.83Å; Y154-I191 HydrophobicContact CD1-CG1 4.49Å; Y154-I191 HydrophobicContact CD1-CG2 4.19Å; Y154-I191 HydrophobicContact CE1-CD1 3.77Å; Y154-I191 HydrophobicContact CE1-CG1 4.08Å; Y154-I191 HydrophobicContact CE1-CG2 4.1Å; Y154-I191 HydrophobicContact CG-CD1 4.39Å; S157-I191 WeakPolarHBondContact OG-CD1 3.5Å; A187-I191 WeakPolarHBondContact O-CB 3.34Å; A187-I191 WeakPolarHBondContact O-CD1 3.4Å; A187-I191 VanDerWaalsContact O-CG1 3.28Å; A187-I191 WeakPolarHBondContact O-CG1 3.21Å; A187-I191 PolarHBondContact O-N 3.24Å; Y188-I191 PolarHBondContact O-N 3.41Å; I191-L223 HydrophobicContact CD1-CD1 4.2Å; I191-L223 HydrophobicContact CD1-CD2 4.05Å; I191-L223 HydrophobicContact CG1-CD1 4.18Å; I191-L223 HydrophobicContact CG1-CD2 4.15Å; I191-L227 HydrophobicContact CG1-CD1 4.21Å; I191-L227 HydrophobicContact CG1-CD2 4.49Å
192	C	97.1	Very high	97.6	Very high	40 Å²	40	27.2 Å²	27.2	27%	0.27	13%	0.129	S	C	.	.	H	α-helix	trans	-101.6	-15.7	-168.8	-64.9	0	0	0	0	113.6	Y188	Y188-C192 HydrophobicContact CD2-CB 3.66Å; Y188-C192 HydrophobicContact CE2-CB 3.48Å; Y188-C192 VanDerWaalsContact CE2-CB 3.48Å; Y188-C192 WeakPolarHBondContact O-CB 3.38Å; Y188-C192 PolarHBondContact O-N 3.42Å
193	R	97.1	Very high	97.4	Very high	77 Å²	77	29.2 Å²	29.2	29%	0.291	14%	0.141	S	C	.	.	H	α-helix	trans	-117.3	5.4	175.6	-60.3	-63.6	-179.8	-88.7	4.3	113.3	Y75 D161 Y188 L189 M195	Y75-R193 HydrophobicContact CE1-CG 4.28Å; D161-R193 IonicContact OD1-CZ 2.81Å; D161-R193 IonicContact OD1-NH1 3.83Å; D161-R193 PolarHBondContact OD1-NH1 3.1Å; D161-R193 VanDerWaalsContact OD1-NH1 3.1Å; D161-R193 IonicContact OD1-NH2 3.14Å; Y188-R193 HydrophobicContact CE1-CG 4.23Å; Y188-R193 PolarHBondContact OH-NH1 3.41Å; Y188-R193 PolarHBondContact OH-NH2 2.92Å; L189-R193 HydrophobicContact CD2-CB 4.39Å; L189-R193 HydrophobicContact CD2-CG 4.13Å; L189-R193 CarbonylContact O-C 3.22Å; L189-R193 VanDerWaalsContact O-CA 3.26Å; L189-R193 WeakPolarHBondContact O-CA 3.49Å; L189-R193 VanDerWaalsContact O-CB 3.26Å; L189-R193 WeakPolarHBondContact O-CB 3.34Å; L189-R193 PolarHBondContact O-N 2.91Å; L189-R193 VanDerWaalsContact O-N 3.11Å; R193-M195 HydrophobicContact CB-CG 4.37Å; R193-M195 PolarHBondContact O-N 2.96Å
194	K	96.4	Very high	97.2	Very high	122 Å²	122	29.2 Å²	29.2	53%	0.53	14%	0.141	S	C	.	.			trans	54.1	35.7	173.6	-55	-177.8	174.8	-172.5	0	112.7	L189 M190 L232 Y233	L189-K194 PolarHBondContact O-N 3.06Å; L189-K194 VanDerWaalsContact O-N 3.16Å; M190-K194 WeakPolarHBondContact O-CA 3.41Å; M190-K194 PolarHBondContact O-N 3.28Å; K194-L232 WeakPolarHBondContact CD-O 3.38Å; K194-L232 WeakPolarHBondContact CG-O 3.49Å; K194-Y233 HydrophobicContact CB-CD1 4.25Å; K194-Y233 VanDerWaalsContact O-CD1 3.25Å; K194-Y233 WeakPolarHBondContact O-CD1 3.42Å
195	M	96.9	Very high	96.9	Very high	39 Å²	39	30.5 Å²	30.5	19%	0.192	15%	0.146	C	C	.	.			trans	-89	139.6	174.8	-67.2	-177.1	171.7	0	0	110.1	Y75 L189 M190 R193 D199 A200 T203 Y233	Y75-M195 HydrophobicContact CE2-CE 3.87Å; L189-M195 HydrophobicContact CB-SD 3.96Å; L189-M195 HydrophobicContact CD1-SD 4.29Å; L189-M195 HydrophobicContact CD2-SD 4.28Å; L189-M195 HydrophobicContact CG-SD 4.41Å; L189-M195 PolarHBondContact O-N 3.13Å; M190-M195 VanDerWaalsContact CA-O 3.28Å; M190-M195 WeakPolarHBondContact CA-O 3.46Å; M190-M195 WeakPolarHBondContact CG-O 3.43Å; R193-M195 HydrophobicContact CB-CG 4.37Å; R193-M195 PolarHBondContact O-N 2.96Å; M195-D199 HydrophobicContact CB-CB 4.26Å; M195-A200 HydrophobicContact CB-CB 4.21Å; M195-T203 HydrophobicContact CE-CG2 4.46Å; M195-Y233 WeakPolarHBondContact O-CE1 3.39Å; M195-Y233 VanDerWaalsContact O-CZ 3.27Å; M195-Y233 PolarHBondContact O-OH 3.36Å
196	S	96.2	Very high	96.5	Very high	26 Å²	26	35.2 Å²	35.2	18%	0.182	17%	0.169	C	C	.	.			trans	-57.7	156.8	165.5	75.1	0	0	0	0	110.6	V198 D199 A200 D224	S196-V198 PolarHBondContact O-N 3.32Å; S196-V198 VanDerWaalsContact O-N 3.16Å; S196-D199 PolarHBondContact O-N 2.61Å; S196-D199 VanDerWaalsContact O-N 3.07Å; S196-D199 PolarHBondContact OG-N 2.65Å; S196-D199 VanDerWaalsContact OG-N 3.1Å; S196-D199 PolarHBondContact OG-OD2 3.43Å; S196-A200 WeakPolarHBondContact O-CB 3.19Å; S196-A200 PolarHBondContact O-N 2.97Å; S196-D224 WeakPolarHBondContact CA-OD1 3.34Å
197	A	97.4	Very high	96.1	Very high	2 Å²	2	41 Å²	41	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-54	-36.5	174.6	0	0	0	0	0	112.4	T37 L42 M190 I201 D224	T37-A197 HydrophobicContact CG2-CB 4.49Å; L42-A197 HydrophobicContact CD1-CB 3.84Å; L42-A197 HydrophobicContact CD2-CB 3.75Å; L42-A197 HydrophobicContact CG-CB 4.47Å; M190-A197 HydrophobicContact CE-CB 3.83Å; M190-A197 HydrophobicContact SD-CB 3.97Å; A197-I201 WeakPolarHBondContact O-CB 3.32Å; A197-I201 VanDerWaalsContact O-CG1 3.25Å; A197-I201 WeakPolarHBondContact O-CG1 3.2Å; A197-I201 PolarHBondContact O-N 3.09Å; A197-D224 HydrophobicContact CB-CB 3.88Å; A197-D224 PolarHBondContact N-OD1 3.32Å
198	V	96	Very high	95.8	Very high	21 Å²	21	41.1 Å²	41.1	13%	0.127	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-45.6	177.2	176.8	0	0	0	0	111.3	L42 V45 S196 I201 R202	L42-V198 HydrophobicContact CD2-CG2 3.97Å; V45-V198 HydrophobicContact CG1-CG1 4.09Å; V45-V198 HydrophobicContact CG2-CG1 4.15Å; V45-V198 HydrophobicContact CG2-CG2 4.19Å; S196-V198 PolarHBondContact O-N 3.32Å; S196-V198 VanDerWaalsContact O-N 3.16Å; V198-I201 PolarHBondContact O-N 3.25Å; V198-R202 VanDerWaalsContact CG1-CZ 3.45Å; V198-R202 WeakPolarHBondContact O-CG 3.07Å; V198-R202 PolarHBondContact O-N 3.21Å
199	D	96	Very high	95.4	Very high	73 Å²	73	42.2 Å²	42.2	39%	0.39	20%	0.197	S	C	.	.	H	α-helix	trans	-71.4	-37.4	-178.9	-61	-39.4	0	0	0	111.9	M195 S196 R202 T203	M195-D199 HydrophobicContact CB-CB 4.26Å; S196-D199 PolarHBondContact O-N 2.61Å; S196-D199 VanDerWaalsContact O-N 3.07Å; S196-D199 PolarHBondContact OG-N 2.65Å; S196-D199 VanDerWaalsContact OG-N 3.1Å; S196-D199 PolarHBondContact OG-OD2 3.43Å; D199-R202 PolarHBondContact O-N 3.43Å; D199-R202 IonicContact OD1-NH1 2.76Å; D199-T203 VanDerWaalsContact O-CB 3.28Å; D199-T203 WeakPolarHBondContact O-CB 3.29Å; D199-T203 PolarHBondContact O-N 2.65Å; D199-T203 PolarHBondContact O-OG1 3.48Å
200	A	97.7	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-47.6	172.4	0	0	0	0	0	110.8	L186 L189 M190 M195 S196 T203 V204	L186-A200 HydrophobicContact CD2-CB 3.94Å; L186-A200 VanDerWaalsContact CD2-O 3.31Å; L186-A200 WeakPolarHBondContact CD2-O 3.37Å; L189-A200 HydrophobicContact CB-CB 3.87Å; L189-A200 HydrophobicContact CD1-CB 4.28Å; M190-A200 HydrophobicContact CG-CB 3.99Å; M195-A200 HydrophobicContact CB-CB 4.21Å; S196-A200 WeakPolarHBondContact O-CB 3.19Å; S196-A200 PolarHBondContact O-N 2.97Å; A200-T203 PolarHBondContact O-N 2.79Å; A200-V204 PolarHBondContact O-N 3.47Å; A200-V204 VanDerWaalsContact O-N 3.1Å
201	I	96.6	Very high	95.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-51.1	176.5	-75.7	170.5	0	0	0	110.6	L42 V45 L46 L186 A197 V198 T203 V204 R205	L42-I201 HydrophobicContact CB-CD1 3.86Å; L42-I201 HydrophobicContact CD1-CD1 4.28Å; L42-I201 HydrophobicContact CD2-CD1 4.01Å; L42-I201 HydrophobicContact CG-CD1 4.26Å; V45-I201 HydrophobicContact CG1-CB 4.44Å; V45-I201 HydrophobicContact CG1-CG2 3.86Å; L46-I201 HydrophobicContact CD2-CG2 3.51Å; L46-I201 HydrophobicContact CG-CD1 4.42Å; L46-I201 HydrophobicContact CG-CG2 3.91Å; L186-I201 HydrophobicContact CD1-CG1 3.92Å; L186-I201 HydrophobicContact CD2-CB 4.46Å; L186-I201 HydrophobicContact CD2-CG1 3.97Å; A197-I201 WeakPolarHBondContact O-CB 3.32Å; A197-I201 VanDerWaalsContact O-CG1 3.25Å; A197-I201 WeakPolarHBondContact O-CG1 3.2Å; A197-I201 PolarHBondContact O-N 3.09Å; V198-I201 PolarHBondContact O-N 3.25Å; I201-T203 VanDerWaalsContact C-N 3.33Å; I201-T203 PolarHBondContact O-N 2.9Å; I201-V204 PolarHBondContact O-N 2.78Å; I201-R205 HydrophobicContact CG2-CG 3.89Å; I201-R205 WeakPolarHBondContact O-CB 3.23Å; I201-R205 WeakPolarHBondContact O-CG 3.32Å; I201-R205 PolarHBondContact O-N 3.11Å
202	R	94.6	Very high	95.1	Very high	127 Å²	127	47.6 Å²	47.6	48%	0.479	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-46.1	179.3	-75	172.3	175.1	155.9	-2.6	111.4	V45 V198 D199 V204 R205 M206	V45-R202 HydrophobicContact CG1-CG 4.4Å; V198-R202 VanDerWaalsContact CG1-CZ 3.45Å; V198-R202 WeakPolarHBondContact O-CG 3.07Å; V198-R202 PolarHBondContact O-N 3.21Å; D199-R202 PolarHBondContact O-N 3.43Å; D199-R202 IonicContact OD1-NH1 2.76Å; R202-V204 PolarHBondContact O-N 3.49Å; R202-R205 PolarHBondContact O-N 3.09Å; R202-M206 VanDerWaalsContact O-CG 3.24Å; R202-M206 WeakPolarHBondContact O-CG 3.16Å; R202-M206 PolarHBondContact O-N 3.08Å
203	T	94.9	Very high	95.1	Very high	42 Å²	42	46.9 Å²	46.9	26%	0.258	21%	0.21	S	C	.	.	H	α-helix	trans	-55.6	-49.3	179.4	-62.8	0	0	0	0	111.7	Y75 L189 M195 D199 A200 I201	Y75-T203 HydrophobicContact CD2-CG2 3.82Å; Y75-T203 HydrophobicContact CE2-CG2 4.31Å; L189-T203 HydrophobicContact CD1-CG2 4.33Å; M195-T203 HydrophobicContact CE-CG2 4.46Å; D199-T203 VanDerWaalsContact O-CB 3.28Å; D199-T203 WeakPolarHBondContact O-CB 3.29Å; D199-T203 PolarHBondContact O-N 2.65Å; D199-T203 PolarHBondContact O-OG1 3.48Å; A200-T203 PolarHBondContact O-N 2.79Å; I201-T203 VanDerWaalsContact C-N 3.33Å; I201-T203 PolarHBondContact O-N 2.9Å
204	V	95.6	Very high	95.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.6	-42.5	179.2	177.1	0	0	0	0	111.4	V74 I80 V185 L186 L189 A200 I201 R202 M206 R207 R208 I210	V74-V204 HydrophobicContact CB-CG1 4.03Å; V74-V204 HydrophobicContact CB-CG2 4.42Å; V74-V204 HydrophobicContact CG1-CG1 4.03Å; V74-V204 HydrophobicContact CG2-CG1 4.44Å; V74-V204 HydrophobicContact CG2-CG2 4.42Å; I80-V204 HydrophobicContact CD1-CG1 4Å; V185-V204 HydrophobicContact CG1-CG2 4.14Å; L186-V204 HydrophobicContact CD2-CB 4.21Å; L186-V204 HydrophobicContact CD2-CG2 3.83Å; L189-V204 HydrophobicContact CD1-CG2 3.66Å; A200-V204 PolarHBondContact O-N 3.47Å; A200-V204 VanDerWaalsContact O-N 3.1Å; I201-V204 PolarHBondContact O-N 2.78Å; R202-V204 PolarHBondContact O-N 3.49Å; V204-M206 PolarHBondContact O-N 3.21Å; V204-R207 PolarHBondContact O-N 3.41Å; V204-R208 PolarHBondContact O-N 2.84Å; V204-I210 HydrophobicContact CB-CD1 4.12Å; V204-I210 HydrophobicContact CG1-CD1 3.8Å; V204-I210 HydrophobicContact CG1-CG1 4.32Å; V204-I210 HydrophobicContact CG1-CG2 3.76Å
205	R	92.2	Very high	95.3	Very high	27 Å²	27	42.6 Å²	42.6	10%	0.102	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-31.9	179.8	-75.9	-73.9	-74.9	155.6	-23.4	112.8	L46 S49 A51 I201 R202 R207 R208 D209 I210	L46-R205 HydrophobicContact CD2-CG 3.83Å; L46-R205 PolarHBondContact O-NH2 3.37Å; L46-R205 VanDerWaalsContact O-NH2 3.08Å; S49-R205 PolarHBondContact O-NE 3.48Å; S49-R205 VanDerWaalsContact O-NE 3.09Å; S49-R205 PolarHBondContact O-NH2 3.47Å; A51-R205 WeakPolarHBondContact CA-O 3.48Å; A51-R205 WeakPolarHBondContact CB-O 3.3Å; I201-R205 HydrophobicContact CG2-CG 3.89Å; I201-R205 WeakPolarHBondContact O-CB 3.23Å; I201-R205 WeakPolarHBondContact O-CG 3.32Å; I201-R205 PolarHBondContact O-N 3.11Å; R202-R205 PolarHBondContact O-N 3.09Å; R205-R207 PolarHBondContact O-N 3.31Å; R205-R207 VanDerWaalsContact O-N 3.13Å; R205-R208 WeakPolarHBondContact CA-O 3.18Å; R205-D209 IonicContact CZ-OD1 3.44Å; R205-D209 IonicContact NH1-OD1 2.62Å; R205-D209 PolarHBondContact NH1-OD1 3.24Å; R205-D209 IonicContact NH2-OD1 3.7Å; R205-I210 VanDerWaalsContact CD-CG1 3.47Å; R205-I210 HydrophobicContact CG-CD1 4.25Å; R205-I210 HydrophobicContact CG-CG1 3.91Å
206	M	90	Very high	95.3	Very high	99 Å²	99	40.8 Å²	40.8	49%	0.488	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.5	175.2	-73.4	-61.2	-67.2	0	0	113.6	P52 S53 R202 V204	P52-M206 HydrophobicContact CG-CE 3.39Å; P52-M206 HydrophobicContact CG-SD 3.73Å; S53-M206 VanDerWaalsContact CB-O 3.31Å; S53-M206 WeakPolarHBondContact CB-O 3.41Å; S53-M206 PolarHBondContact OG-O 3.02Å; R202-M206 VanDerWaalsContact O-CG 3.24Å; R202-M206 WeakPolarHBondContact O-CG 3.16Å; R202-M206 PolarHBondContact O-N 3.08Å; V204-M206 PolarHBondContact O-N 3.21Å
207	R	90.8	Very high	95.5	Very high	121 Å²	121	39.6 Å²	39.6	46%	0.457	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-26.2	-175.5	-62.1	-60.2	-171.6	99.4	-5.1	114.2	S53 E73 V74 V204 R205	S53-R207 VanDerWaalsContact OG-C 3.3Å; S53-R207 WeakPolarHBondContact OG-CA 3.4Å; S53-R207 PolarHBondContact OG-O 2.95Å; E73-R207 PolarHBondContact O-NH1 2.8Å; V74-R207 HydrophobicContact CB-CB 4.29Å; V74-R207 HydrophobicContact CG1-CB 4.15Å; V204-R207 PolarHBondContact O-N 3.41Å; R205-R207 PolarHBondContact O-N 3.31Å; R205-R207 VanDerWaalsContact O-N 3.13Å
208	R	91.4	Very high	95.5	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.011	20%	0.201	C	C	.	.	S	Bend	trans	-154.6	147.8	-173.9	-175	174.6	176.6	76.9	4.4	112.1	D70 D72 V74 V176 G177 V204 R205 I210	D70-R208 IonicContact OD1-CZ 3.81Å; D70-R208 IonicContact OD1-NH1 3.94Å; D70-R208 PolarHBondContact OD1-NH1 3.44Å; D70-R208 IonicContact OD1-NH2 3.53Å; D70-R208 IonicContact OD2-CZ 2.7Å; D70-R208 IonicContact OD2-NH1 2.88Å; D70-R208 PolarHBondContact OD2-NH1 3.2Å; D70-R208 VanDerWaalsContact OD2-NH1 3.14Å; D70-R208 IonicContact OD2-NH2 2.66Å; D70-R208 PolarHBondContact OD2-NH2 3.48Å; D72-R208 HydrophobicContact CB-CB 4.2Å; D72-R208 WeakPolarHBondContact OD2-CG 3.38Å; D72-R208 IonicContact OD2-CZ 3.95Å; D72-R208 IonicContact OD2-NH1 3.39Å; D72-R208 PolarHBondContact OD2-NH1 3.01Å; V74-R208 HydrophobicContact CG1-CB 3.82Å; V176-R208 PolarHBondContact O-NH2 2.93Å; V176-R208 VanDerWaalsContact O-NH2 3.08Å; G177-R208 PolarHBondContact O-NE 3.06Å; G177-R208 PolarHBondContact O-NH2 3.12Å; V204-R208 PolarHBondContact O-N 2.84Å; R205-R208 WeakPolarHBondContact CA-O 3.18Å; R208-I210 HydrophobicContact CG-CG2 4.48Å; R208-I210 PolarHBondContact O-N 3.34Å
209	D	91.1	Very high	95.6	Very high	24 Å²	24	43.4 Å²	43.4	13%	0.128	20%	0.201	C	C	.	.			trans	-70.4	125.5	167.3	-166.5	25.7	0	0	0	110.6	R205 R211	R205-D209 IonicContact CZ-OD1 3.44Å; R205-D209 IonicContact NH1-OD1 2.62Å; R205-D209 PolarHBondContact NH1-OD1 3.24Å; R205-D209 IonicContact NH2-OD1 3.7Å; D209-R211 IonicContact OD1-NE 2.77Å; D209-R211 IonicContact OD2-CZ 3.38Å; D209-R211 IonicContact OD2-NE 3.81Å; D209-R211 PolarHBondContact OD2-NE 3.13Å; D209-R211 VanDerWaalsContact OD2-NE 3.08Å; D209-R211 IonicContact OD2-NH2 2.84Å; D209-R211 PolarHBondContact OD2-NH2 2.75Å
210	I	94.8	Very high	95.8	Very high	2 Å²	2	40 Å²	40	1%	0.01	18%	0.182	C	C	.	.			trans	-132.9	143.1	178.2	60.2	160.1	0	0	0	109.4	L46 M178 A182 L186 V204 R205 R208	L46-I210 HydrophobicContact CD2-CD1 4.1Å; L46-I210 HydrophobicContact CD2-CG1 3.9Å; M178-I210 CarbonylContact O-C 3.57Å; M178-I210 WeakPolarHBondContact O-CA 3.22Å; A182-I210 HydrophobicContact CB-CB 3.78Å; A182-I210 HydrophobicContact CB-CD1 4.28Å; A182-I210 HydrophobicContact CB-CG2 3.57Å; L186-I210 HydrophobicContact CD1-CD1 3.95Å; L186-I210 HydrophobicContact CD2-CD1 4.29Å; L186-I210 HydrophobicContact CG-CD1 4.41Å; V204-I210 HydrophobicContact CB-CD1 4.12Å; V204-I210 HydrophobicContact CG1-CD1 3.8Å; V204-I210 HydrophobicContact CG1-CG1 4.32Å; V204-I210 HydrophobicContact CG1-CG2 3.76Å; R205-I210 VanDerWaalsContact CD-CG1 3.47Å; R205-I210 HydrophobicContact CG-CD1 4.25Å; R205-I210 HydrophobicContact CG-CG1 3.91Å; R208-I210 HydrophobicContact CG-CG2 4.48Å; R208-I210 PolarHBondContact O-N 3.34Å
211	R	95.4	Very high	95.8	Very high	146 Å²	146	40 Å²	40	55%	0.551	18%	0.182	S	C	*	.			trans	-144.4	65.2	-176.6	-56.6	-175.6	-169.7	-170.6	2.5	110.6	M178 S179 D209 N213	M178-R211 CarbonylContact O-C 3.49Å; M178-R211 PolarHBondContact O-N 2.96Å; S179-R211 WeakPolarHBondContact CB-O 3.35Å; D209-R211 IonicContact OD1-NE 2.77Å; D209-R211 IonicContact OD2-CZ 3.38Å; D209-R211 IonicContact OD2-NE 3.81Å; D209-R211 PolarHBondContact OD2-NE 3.13Å; D209-R211 VanDerWaalsContact OD2-NE 3.08Å; D209-R211 IonicContact OD2-NH2 2.84Å; D209-R211 PolarHBondContact OD2-NH2 2.75Å; R211-N213 PolarHBondContact O-N 3.39Å
212	P	98.2	Very high	95.9	Very high	7 Å²	7	44 Å²	44	5%	0.045	20%	0.204	C	C	.	.			trans	-50.1	137.9	165	-24.6	34.8	0	0	0	110.4	L186 F216 L217	L186-P212 HydrophobicContact CD1-CG 4.14Å; P212-F216 HydrophobicContact CB-CB 4.1Å; P212-L217 HydrophobicContact CB-CD2 3.88Å; P212-L217 HydrophobicContact CB-CG 4.09Å; P212-L217 HydrophobicContact CG-CD2 4.23Å
213	N	98.1	Very high	96.1	Very high	26 Å²	26	38.2 Å²	38.2	14%	0.139	18%	0.182	C	C	.	.			trans	-67	163.9	174.3	69.9	58.4	0	0	0	111.3	D143 P145 S179 R211 G215 F216 L217	D143-N213 PolarHBondContact OD1-ND2 3.49Å; P145-N213 VanDerWaalsContact CA-OD1 3.29Å; P145-N213 WeakPolarHBondContact CA-OD1 3.16Å; P145-N213 HydrophobicContact CG-CB 4.24Å; S179-N213 PolarHBondContact OG-N 3.39Å; R211-N213 PolarHBondContact O-N 3.39Å; N213-G215 VanDerWaalsContact C-N 3.27Å; N213-G215 PolarHBondContact O-N 2.84Å; N213-G215 PolarHBondContact OD1-N 3.32Å; N213-G215 VanDerWaalsContact OD1-N 3.11Å; N213-F216 WeakPolarHBondContact ND2-CD2 3.45Å; N213-F216 WeakPolarHBondContact ND2-CE2 3.18Å; N213-F216 WeakPolarHBondContact ND2-CG 3.07Å; N213-F216 WeakPolarHBondContact ND2-CZ 3.05Å; N213-F216 WeakPolarHBondContact O-CB 3.31Å; N213-F216 PolarHBondContact O-N 3.3Å; N213-F216 WeakPolarHBondContact OD1-CG 3.38Å; N213-F216 PolarHBondContact OD1-N 3.07Å; N213-L217 PolarHBondContact O-N 3.26Å
214	D	97.8	Very high	96.2	Very high	94 Å²	94	36.2 Å²	36.2	50%	0.503	17%	0.17	S	C	.	.	H	α-helix	trans	-60.6	-33.9	-172.7	-64.2	-17.2	0	0	0	113.5	Q43 L217 Q218	Q43-D214 PolarHBondContact NE2-OD1 2.94Å; Q43-D214 PolarHBondContact NE2-OD2 3.34Å; D214-L217 PolarHBondContact O-N 3.41Å; D214-Q218 PolarHBondContact O-N 2.86Å
215	G	98.6	Very high	96.2	Very high	15 Å²	15	39.2 Å²	39.2	16%	0.155	19%	0.185	C	C	.	.	H	α-helix	trans	-67.5	-36.4	175.3	0	0	0	0	0	112.6	N213 Q218 Q219	N213-G215 VanDerWaalsContact C-N 3.27Å; N213-G215 PolarHBondContact O-N 2.84Å; N213-G215 PolarHBondContact OD1-N 3.32Å; N213-G215 VanDerWaalsContact OD1-N 3.11Å; G215-Q218 PolarHBondContact O-N 3.17Å; G215-Q219 WeakPolarHBondContact O-CG 3.12Å; G215-Q219 PolarHBondContact O-N 3.19Å; G215-Q219 PolarHBondContact O-NE2 2.94Å
216	F	98.7	Very high	96.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.4	-36.5	174.2	-66.6	-5.2	0	0	0	112.1	T147 I149 S179 R180 T183 P212 N213 Q218 Q219 L220	T147-F216 HydrophobicContact CG2-CE1 4.3Å; T147-F216 HydrophobicContact CG2-CZ 4.41Å; T147-F216 WeakPolarHBondContact O-CE1 3.04Å; I149-F216 HydrophobicContact CB-CD1 4.04Å; I149-F216 HydrophobicContact CB-CE1 3.8Å; I149-F216 HydrophobicContact CB-CZ 4.25Å; I149-F216 HydrophobicContact CD1-CD2 4.22Å; I149-F216 HydrophobicContact CD1-CE1 4.34Å; I149-F216 HydrophobicContact CD1-CE2 3.96Å; I149-F216 HydrophobicContact CD1-CZ 4.02Å; I149-F216 HydrophobicContact CG2-CB 4.39Å; I149-F216 HydrophobicContact CG2-CD1 3.31Å; I149-F216 HydrophobicContact CG2-CE1 3.62Å; I149-F216 HydrophobicContact CG2-CG 3.86Å; I149-F216 HydrophobicContact CG2-CZ 4.38Å; S179-F216 WeakPolarHBondContact OG-CD2 3.36Å; R180-F216 HydrophobicContact CB-CE2 4.44Å; R180-F216 HydrophobicContact CG-CE2 3.62Å; R180-F216 HydrophobicContact CG-CZ 4.06Å; T183-F216 HydrophobicContact CG2-CB 3.98Å; T183-F216 HydrophobicContact CG2-CD2 4.49Å; T183-F216 HydrophobicContact CG2-CG 4.34Å; T183-F216 WeakPolarHBondContact OG1-CD2 3.45Å; P212-F216 HydrophobicContact CB-CB 4.1Å; N213-F216 WeakPolarHBondContact ND2-CD2 3.45Å; N213-F216 WeakPolarHBondContact ND2-CE2 3.18Å; N213-F216 WeakPolarHBondContact ND2-CG 3.07Å; N213-F216 WeakPolarHBondContact ND2-CZ 3.05Å; N213-F216 WeakPolarHBondContact O-CB 3.31Å; N213-F216 PolarHBondContact O-N 3.3Å; N213-F216 WeakPolarHBondContact OD1-CG 3.38Å; N213-F216 PolarHBondContact OD1-N 3.07Å; F216-Q218 VanDerWaalsContact C-N 3.33Å; F216-Q219 PolarHBondContact O-N 3.29Å; F216-L220 WeakPolarHBondContact O-CG 3.46Å; F216-L220 PolarHBondContact O-N 2.82Å
217	L	98.7	Very high	96.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-40.4	173.2	-67.1	173.7	0	0	0	111.5	L42 Q43 L46 P212 N213 D214 L220 A221	L42-L217 HydrophobicContact CB-CD2 4.12Å; Q43-L217 HydrophobicContact CB-CD1 3.86Å; Q43-L217 HydrophobicContact CG-CD1 4.16Å; L46-L217 HydrophobicContact CD1-CD1 3.96Å; L46-L217 HydrophobicContact CD1-CD2 3.57Å; L46-L217 HydrophobicContact CD1-CG 4.36Å; P212-L217 HydrophobicContact CB-CD2 3.88Å; P212-L217 HydrophobicContact CB-CG 4.09Å; P212-L217 HydrophobicContact CG-CD2 4.23Å; N213-L217 PolarHBondContact O-N 3.26Å; D214-L217 PolarHBondContact O-N 3.41Å; L217-L220 PolarHBondContact O-N 2.8Å; L217-A221 WeakPolarHBondContact O-CB 3.45Å; L217-A221 PolarHBondContact O-N 2.92Å
218	Q	98.6	Very high	96.7	Very high	77 Å²	77	34 Å²	34	36%	0.36	17%	0.165	S	C	.	.	H	α-helix	trans	-63.5	-45.2	174.3	-171.7	56	49.3	0	0	111.3	D214 G215 F216 L220 A221 D222	D214-Q218 PolarHBondContact O-N 2.86Å; G215-Q218 PolarHBondContact O-N 3.17Å; F216-Q218 VanDerWaalsContact C-N 3.33Å; Q218-L220 VanDerWaalsContact C-N 3.3Å; Q218-L220 PolarHBondContact O-N 3.08Å; Q218-A221 WeakPolarHBondContact O-CA 3.29Å; Q218-A221 WeakPolarHBondContact O-CB 3.14Å; Q218-A221 PolarHBondContact O-N 2.77Å; Q218-D222 PolarHBondContact NE2-OD1 2.81Å; Q218-D222 PolarHBondContact O-N 3.43Å
219	Q	98.8	Very high	96.7	Very high	27 Å²	27	42.5 Å²	42.5	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-34.6	177	-72.5	171.8	66.2	0	0	113	T147 I149 F153 G215 F216 L223	T147-Q219 PolarHBondContact O-NE2 2.84Å; I149-Q219 HydrophobicContact CG2-CB 4.48Å; I149-Q219 VanDerWaalsContact CG2-OE1 3.24Å; F153-Q219 HydrophobicContact CE2-CB 4.3Å; F153-Q219 HydrophobicContact CZ-CB 4.04Å; G215-Q219 WeakPolarHBondContact O-CG 3.12Å; G215-Q219 PolarHBondContact O-N 3.19Å; G215-Q219 PolarHBondContact O-NE2 2.94Å; F216-Q219 PolarHBondContact O-N 3.29Å; Q219-L223 PolarHBondContact O-N 2.76Å
220	L	98.7	Very high	96.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-68	-38.2	171.3	-74.3	169.4	0	0	0	112.1	L42 F153 T183 L186 A187 M190 F216 L217 Q218 D222 L223 D224	L42-L220 HydrophobicContact CD1-CB 4.05Å; F153-L220 HydrophobicContact CZ-CD2 4.1Å; F153-L220 HydrophobicContact CZ-CG 4.38Å; T183-L220 HydrophobicContact CG2-CD1 3.99Å; T183-L220 HydrophobicContact CG2-CD2 4.17Å; T183-L220 HydrophobicContact CG2-CG 3.98Å; L186-L220 HydrophobicContact CB-CD1 4.11Å; L186-L220 HydrophobicContact CB-CD2 4Å; L186-L220 HydrophobicContact CD1-CD1 3.65Å; A187-L220 HydrophobicContact CB-CD2 4.18Å; M190-L220 WeakPolarHBondContact CE-O 3.4Å; M190-L220 HydrophobicContact SD-CD2 3.92Å; F216-L220 WeakPolarHBondContact O-CG 3.46Å; F216-L220 PolarHBondContact O-N 2.82Å; L217-L220 PolarHBondContact O-N 2.8Å; Q218-L220 VanDerWaalsContact C-N 3.3Å; Q218-L220 PolarHBondContact O-N 3.08Å; L220-D222 VanDerWaalsContact C-N 3.34Å; L220-L223 PolarHBondContact O-N 2.67Å; L220-D224 PolarHBondContact O-N 3.25Å
221	A	98.3	Very high	95.7	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-41.9	175	0	0	0	0	0	111.4	T37 T38 L42 L217 Q218 L223 D224 M225	T37-A221 HydrophobicContact CG2-CB 3.97Å; T38-A221 VanDerWaalsContact C-CB 3.49Å; L42-A221 HydrophobicContact CD1-CB 4Å; L217-A221 WeakPolarHBondContact O-CB 3.45Å; L217-A221 PolarHBondContact O-N 2.92Å; Q218-A221 WeakPolarHBondContact O-CA 3.29Å; Q218-A221 WeakPolarHBondContact O-CB 3.14Å; Q218-A221 PolarHBondContact O-N 2.77Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 2.75Å; A221-D224 WeakPolarHBondContact O-CB 3.32Å; A221-D224 PolarHBondContact O-N 2.77Å; A221-D224 VanDerWaalsContact O-N 3.16Å; A221-M225 WeakPolarHBondContact O-CG 3.42Å; A221-M225 PolarHBondContact O-N 3.07Å
222	D	98.1	Very high	94.4	Very high	85 Å²	85	48.9 Å²	48.9	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-42.3	175.8	-59	-22.2	0	0	0	111.1	Q218 L220 D224 M225 E226	Q218-D222 PolarHBondContact NE2-OD1 2.81Å; Q218-D222 PolarHBondContact O-N 3.43Å; L220-D222 VanDerWaalsContact C-N 3.34Å; D222-D224 PolarHBondContact O-N 3.14Å; D222-M225 PolarHBondContact O-N 3.14Å; D222-E226 PolarHBondContact O-N 3.08Å
223	L	98.2	Very high	92.8	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-42.5	173	177.6	66	0	0	0	111.9	F153 A187 M190 I191 Q219 L220 A221 M225 E226 L227	F153-L223 HydrophobicContact CD2-CB 4.23Å; F153-L223 HydrophobicContact CD2-CD1 4.42Å; F153-L223 HydrophobicContact CD2-CD2 3.73Å; F153-L223 HydrophobicContact CD2-CG 4.34Å; F153-L223 HydrophobicContact CE2-CB 4.1Å; F153-L223 HydrophobicContact CE2-CD2 4.09Å; F153-L223 HydrophobicContact CG-CD2 4.39Å; A187-L223 HydrophobicContact CB-CD2 3.9Å; M190-L223 HydrophobicContact CB-CD2 4.35Å; M190-L223 HydrophobicContact CE-CB 4.05Å; M190-L223 HydrophobicContact CE-CD2 3.85Å; M190-L223 HydrophobicContact CE-CG 3.82Å; M190-L223 HydrophobicContact SD-CD2 4.06Å; I191-L223 HydrophobicContact CD1-CD1 4.2Å; I191-L223 HydrophobicContact CD1-CD2 4.05Å; I191-L223 HydrophobicContact CG1-CD1 4.18Å; I191-L223 HydrophobicContact CG1-CD2 4.15Å; Q219-L223 PolarHBondContact O-N 2.76Å; L220-L223 PolarHBondContact O-N 2.67Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 2.75Å; L223-M225 VanDerWaalsContact C-N 3.32Å; L223-M225 PolarHBondContact O-N 3.4Å; L223-E226 WeakPolarHBondContact O-CB 3.32Å; L223-E226 PolarHBondContact O-N 2.91Å; L223-L227 HydrophobicContact CD1-CD1 4.08Å; L223-L227 HydrophobicContact CD1-CD2 4.47Å; L223-L227 HydrophobicContact CD1-CG 4.05Å; L223-L227 HydrophobicContact CG-CD1 3.95Å; L223-L227 HydrophobicContact CG-CG 4.3Å; L223-L227 VanDerWaalsContact O-CG 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 2.84Å
224	D	97.3	Very high	90.9	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-43.6	178.8	-164.7	63.5	0	0	0	111.5	T37 M190 S196 A197 L220 A221 D222 L227 K228 Y233	T37-D224 HydrophobicContact CG2-CB 4.23Å; T37-D224 PolarHBondContact OG1-OD2 3.33Å; M190-D224 HydrophobicContact CE-CB 3.64Å; S196-D224 WeakPolarHBondContact CA-OD1 3.34Å; A197-D224 HydrophobicContact CB-CB 3.88Å; A197-D224 PolarHBondContact N-OD1 3.32Å; L220-D224 PolarHBondContact O-N 3.25Å; A221-D224 WeakPolarHBondContact O-CB 3.32Å; A221-D224 PolarHBondContact O-N 2.77Å; A221-D224 VanDerWaalsContact O-N 3.16Å; D222-D224 PolarHBondContact O-N 3.14Å; D224-L227 PolarHBondContact O-N 2.62Å; D224-K228 WeakPolarHBondContact O-CB 3.07Å; D224-K228 VanDerWaalsContact O-CG 3.31Å; D224-K228 WeakPolarHBondContact O-CG 3.44Å; D224-K228 PolarHBondContact O-N 3.23Å; D224-K228 WeakPolarHBondContact OD2-CE 3.39Å; D224-K228 IonicContact OD2-NZ 3.1Å; D224-K228 PolarHBondContact OD2-NZ 3.35Å; D224-Y233 VanDerWaalsContact OD1-CE2 3.26Å; D224-Y233 WeakPolarHBondContact OD1-CE2 3.39Å; D224-Y233 PolarHBondContact OD1-OH 3.31Å
225	M	96	Very high	88.4	Confident	62 Å²	62	62.8 Å²	62.8	31%	0.305	29%	0.294	S	S	.	.	H	α-helix	trans	-64.3	-41.3	175.3	-67.2	-57.2	-66.5	0	0	112	E35 Q36 T37 A221 D222 L223 K228 R229	E35-M225 VanDerWaalsContact O-SD 3.41Å; Q36-M225 HydrophobicContact CB-CE 4.36Å; Q36-M225 HydrophobicContact CG-CE 3.95Å; T37-M225 PolarHBondContact N-SD 3.18Å; A221-M225 WeakPolarHBondContact O-CG 3.42Å; A221-M225 PolarHBondContact O-N 3.07Å; D222-M225 PolarHBondContact O-N 3.14Å; L223-M225 VanDerWaalsContact C-N 3.32Å; L223-M225 PolarHBondContact O-N 3.4Å; M225-K228 HydrophobicContact SD-CD 4.38Å; M225-R229 WeakPolarHBondContact O-CB 3.33Å; M225-R229 PolarHBondContact O-N 3.28Å
226	E	96.2	Very high	87.9	Confident	61 Å²	61	65.2 Å²	65.2	29%	0.285	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-47.6	175.2	-172.3	-167.2	155.7	0	0	111.8	Y154 D222 L223 R229 K230	Y154-E226 PolarHBondContact OH-OE1 2.96Å; Y154-E226 VanDerWaalsContact OH-OE1 3.06Å; D222-E226 PolarHBondContact O-N 3.08Å; L223-E226 WeakPolarHBondContact O-CB 3.32Å; L223-E226 PolarHBondContact O-N 2.91Å; E226-R229 PolarHBondContact O-N 3.3Å; E226-K230 HydrophobicContact CG-CD 4.32Å; E226-K230 WeakPolarHBondContact O-CG 3.39Å; E226-K230 PolarHBondContact O-N 3.5Å; E226-K230 VanDerWaalsContact O-N 3.1Å; E226-K230 WeakPolarHBondContact OE1-CE 3.46Å; E226-K230 IonicContact OE1-NZ 2.61Å; E226-K230 PolarHBondContact OE1-NZ 3.05Å
227	L	95.9	Very high	87.4	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-38.8	-178.2	-67.5	175.3	0	0	0	112.1	M190 I191 L223 D224 K230 N231 L232 Y233	M190-L227 HydrophobicContact CB-CD1 3.76Å; M190-L227 HydrophobicContact CE-CD1 4.37Å; I191-L227 HydrophobicContact CG1-CD1 4.21Å; I191-L227 HydrophobicContact CG1-CD2 4.49Å; L223-L227 HydrophobicContact CD1-CD1 4.08Å; L223-L227 HydrophobicContact CD1-CD2 4.47Å; L223-L227 HydrophobicContact CD1-CG 4.05Å; L223-L227 HydrophobicContact CG-CD1 3.95Å; L223-L227 HydrophobicContact CG-CG 4.3Å; L223-L227 VanDerWaalsContact O-CG 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 2.84Å; D224-L227 PolarHBondContact O-N 2.62Å; L227-K230 PolarHBondContact O-N 3.03Å; L227-N231 PolarHBondContact O-N 3.28Å; L227-L232 HydrophobicContact CD2-CB 4.43Å; L227-L232 HydrophobicContact CD2-CD1 3.62Å; L227-L232 PolarHBondContact O-N 2.88Å; L227-Y233 HydrophobicContact CB-CE1 4.48Å; L227-Y233 HydrophobicContact CB-CE2 4.2Å; L227-Y233 HydrophobicContact CD1-CE1 4.41Å
228	K	92.6	Very high	86.7	Confident	75 Å²	75	72.3 Å²	72.3	33%	0.326	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-50.1	171.2	-78.6	167.8	174.8	166.2	0	111.5	T37 D224 M225 K230 N231 Y233	T37-K228 PolarHBondContact OG1-NZ 3.17Å; D224-K228 WeakPolarHBondContact O-CB 3.07Å; D224-K228 VanDerWaalsContact O-CG 3.31Å; D224-K228 WeakPolarHBondContact O-CG 3.44Å; D224-K228 PolarHBondContact O-N 3.23Å; D224-K228 WeakPolarHBondContact OD2-CE 3.39Å; D224-K228 IonicContact OD2-NZ 3.1Å; D224-K228 PolarHBondContact OD2-NZ 3.35Å; M225-K228 HydrophobicContact SD-CD 4.38Å; K228-K230 PolarHBondContact O-N 2.63Å; K228-N231 PolarHBondContact O-N 3.25Å; K228-Y233 HydrophobicContact CG-CD2 3.62Å; K228-Y233 HydrophobicContact CG-CE2 3.74Å
229	R	90.5	Very high	86	Confident	181 Å²	181	72.1 Å²	72.1	68%	0.683	33%	0.333	S	S	*	.	H	α-helix	trans	-61.3	-31.4	179.8	-169.3	-170.7	63.9	75.7	-2.7	112.7	M225 E226 N231	M225-R229 WeakPolarHBondContact O-CB 3.33Å; M225-R229 PolarHBondContact O-N 3.28Å; E226-R229 PolarHBondContact O-N 3.3Å; R229-N231 PolarHBondContact O-N 3.15Å
230	K	88.1	Confident	85.2	Confident	97 Å²	97	74.9 Å²	74.9	42%	0.422	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	3.8	176.2	-70.9	177.2	174	176.9	0	113.6	E226 L227 K228 L232	E226-K230 HydrophobicContact CG-CD 4.32Å; E226-K230 WeakPolarHBondContact O-CG 3.39Å; E226-K230 PolarHBondContact O-N 3.5Å; E226-K230 VanDerWaalsContact O-N 3.1Å; E226-K230 WeakPolarHBondContact OE1-CE 3.46Å; E226-K230 IonicContact OE1-NZ 2.61Å; E226-K230 PolarHBondContact OE1-NZ 3.05Å; L227-K230 PolarHBondContact O-N 3.03Å; K228-K230 PolarHBondContact O-N 2.63Å; K230-L232 HydrophobicContact CB-CD1 3.81Å; K230-L232 HydrophobicContact CB-CG 3.84Å; K230-L232 HydrophobicContact CD-CD1 4.17Å; K230-L232 PolarHBondContact O-N 3.21Å
231	N	76.5	Confident	84.3	Confident	129 Å²	129	79.8 Å²	79.8	69%	0.69	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	37.9	-174.6	-66.5	-40.7	0	0	0	113.1	L227 K228 R229	L227-N231 PolarHBondContact O-N 3.28Å; K228-N231 PolarHBondContact O-N 3.25Å; R229-N231 PolarHBondContact O-N 3.15Å
232	L	68.7	Low	83.3	Confident	79 Å²	79	85.5 Å²	85.5	41%	0.414	40%	0.395	S	S	.	.			trans	-89.5	-9.4	-177.8	-68.9	173.3	0	0	0	113.9	K194 L227 K230	K194-L232 WeakPolarHBondContact CD-O 3.38Å; K194-L232 WeakPolarHBondContact CG-O 3.49Å; L227-L232 HydrophobicContact CD2-CB 4.43Å; L227-L232 HydrophobicContact CD2-CD1 3.62Å; L227-L232 PolarHBondContact O-N 2.88Å; K230-L232 HydrophobicContact CB-CD1 3.81Å; K230-L232 HydrophobicContact CB-CG 3.84Å; K230-L232 HydrophobicContact CD-CD1 4.17Å; K230-L232 PolarHBondContact O-N 3.21Å
233	Y	65.5	Low	82.2	Confident	37 Å²	37	85.5 Å²	85.5	15%	0.145	39%	0.39	C	S	.	.	S	Bend	trans	-91.5	135.3	168.1	-63.2	-41.7	0	0	0	110.8	K194 M195 D224 L227 K228 Y235	K194-Y233 HydrophobicContact CB-CD1 4.25Å; K194-Y233 VanDerWaalsContact O-CD1 3.25Å; K194-Y233 WeakPolarHBondContact O-CD1 3.42Å; M195-Y233 WeakPolarHBondContact O-CE1 3.39Å; M195-Y233 VanDerWaalsContact O-CZ 3.27Å; M195-Y233 PolarHBondContact O-OH 3.36Å; D224-Y233 VanDerWaalsContact OD1-CE2 3.26Å; D224-Y233 WeakPolarHBondContact OD1-CE2 3.39Å; D224-Y233 PolarHBondContact OD1-OH 3.31Å; L227-Y233 HydrophobicContact CB-CE1 4.48Å; L227-Y233 HydrophobicContact CB-CE2 4.2Å; L227-Y233 HydrophobicContact CD1-CE1 4.41Å; K228-Y233 HydrophobicContact CG-CD2 3.62Å; K228-Y233 HydrophobicContact CG-CE2 3.74Å; Y233-Y235 PolarHBondContact O-N 3.24Å
234	P	56.7	Low	80.9	Confident	101 Å²	101	92.3 Å²	92.3	66%	0.656	42%	0.421	S	S	*	.			trans	-65.6	126.8	164.4	27.9	-28.7	0	0	0	108.1
235	Y	46.5	Very low	79.4	Confident	281 Å²	281	100.5 Å²	100.5	100%	1.102	46%	0.458	S	S	*	.			trans	-61.7	0	165.3	-93.7	-85	0	0	0	110.7	Y233	Y233-Y235 PolarHBondContact O-N 3.24Å

Retrieved 235 of 235 residues in 127 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).