A0A077Z365_TRITR Loading...

deoxyhypusine synthase

AlphaFold DB , UniProt , Accession A0A077Z365, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 375 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	47.2	Very low	75.6	Confident	244 Å²	244	102.5 Å²	102.5	100%	1.202	65%	0.646	S	S	*	*				0	87.7	0	-65.2	-172.4	-142.7	0	0	107.3	G3	M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.97Å
2	V	55.2	Low	77.1	Confident	151 Å²	151	102.9 Å²	102.9	92%	0.915	65%	0.646	S	S	*	*			trans	-77.7	98.6	166.8	-176.8	0	0	0	0	103.7	D4	V2-D4 PolarHBondContact O-N 3.43Å
3	G	61.3	Low	78.3	Confident	55 Å²	55	107.1 Å²	107.1	57%	0.567	65%	0.65	S	S	*	*			trans	-60.2	130.7	179.8	0	0	0	0	0	109	M1 C5	M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.97Å; G3-C5 PolarHBondContact O-N 3.36Å
4	D	68.7	Low	79.4	Confident	125 Å²	125	114.9 Å²	114.9	67%	0.668	66%	0.662	S	S	*	*			trans	-67.1	95.9	-179.4	-173.6	0.7	0	0	0	110	V2 S6	V2-D4 PolarHBondContact O-N 3.43Å; D4-S6 PolarHBondContact O-N 3.21Å; D4-S6 WeakPolarHBondContact OD1-CB 3.44Å; D4-S6 PolarHBondContact OD1-N 2.79Å; D4-S6 PolarHBondContact OD1-OG 3.31Å; D4-S6 PolarHBondContact OD2-OG 3.09Å
5	C	76.6	Confident	80.3	Confident	79 Å²	79	117.6 Å²	117.6	53%	0.534	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-6.9	178.5	-74.6	0	0	0	0	113.4	G3 S7 A8 E9	G3-C5 PolarHBondContact O-N 3.36Å; C5-S7 PolarHBondContact O-N 3.46Å; C5-A8 WeakPolarHBondContact O-CB 3.19Å; C5-A8 PolarHBondContact O-N 3.41Å; C5-E9 PolarHBondContact O-N 3.01Å
6	S	79.1	Confident	81.2	Confident	54 Å²	54	117.3 Å²	117.3	38%	0.378	68%	0.68	S	S	.	*	H	α-helix	trans	-57.4	-36	-175.4	63.5	0	0	0	0	113.3	D4 S10	D4-S6 PolarHBondContact O-N 3.21Å; D4-S6 WeakPolarHBondContact OD1-CB 3.44Å; D4-S6 PolarHBondContact OD1-N 2.79Å; D4-S6 PolarHBondContact OD1-OG 3.31Å; D4-S6 PolarHBondContact OD2-OG 3.09Å; S6-S10 WeakPolarHBondContact O-CB 3.5Å; S6-S10 PolarHBondContact O-N 3.3Å; S6-S10 PolarHBondContact O-OG 2.9Å
7	S	83.1	Confident	82	Confident	88 Å²	88	117.9 Å²	117.9	62%	0.615	69%	0.686	S	S	*	*	H	α-helix	trans	-67.6	-38.7	176.1	63.3	0	0	0	0	112.7	C5 A11	C5-S7 PolarHBondContact O-N 3.46Å; S7-A11 PolarHBondContact O-N 3.47Å
8	A	87.8	Confident	82.8	Confident	53 Å²	53	121.8 Å²	121.8	44%	0.438	70%	0.696	S	S	.	*	H	α-helix	trans	-70.9	-41	176.3	0	0	0	0	0	111.2	C5 A11 V12	C5-A8 WeakPolarHBondContact O-CB 3.19Å; C5-A8 PolarHBondContact O-N 3.41Å; A8-A11 PolarHBondContact O-N 3.22Å; A8-V12 WeakPolarHBondContact O-CB 3.37Å; A8-V12 VanDerWaalsContact O-CG2 3.26Å; A8-V12 WeakPolarHBondContact O-CG2 3.21Å; A8-V12 PolarHBondContact O-N 3.09Å
9	E	91.1	Very high	83.6	Confident	112 Å²	112	123.2 Å²	123.2	52%	0.523	70%	0.698	S	S	.	*	H	α-helix	trans	-61.9	-45.5	175.5	-72.1	178.7	176.3	0	0	111.6	C5 A11 V12 F13	C5-E9 PolarHBondContact O-N 3.01Å; E9-A11 VanDerWaalsContact C-N 3.25Å; E9-A11 PolarHBondContact O-N 3.17Å; E9-V12 PolarHBondContact O-N 2.86Å; E9-F13 HydrophobicContact CB-CD2 4.23Å; E9-F13 HydrophobicContact CG-CE2 4.46Å; E9-F13 WeakPolarHBondContact O-CD2 3.32Å; E9-F13 PolarHBondContact O-N 3.02Å
10	S	90.1	Very high	84.2	Confident	88 Å²	88	121.1 Å²	121.1	62%	0.615	69%	0.69	S	S	*	*	H	α-helix	trans	-62.5	-33.1	177.6	-58.8	0	0	0	0	112.7	S6	S6-S10 WeakPolarHBondContact O-CB 3.5Å; S6-S10 PolarHBondContact O-N 3.3Å; S6-S10 PolarHBondContact O-OG 2.9Å
11	A	91.8	Very high	84.8	Confident	79 Å²	79	125.1 Å²	125.1	65%	0.653	70%	0.703	S	S	*	*	H	α-helix	trans	-74.6	-37.3	176.1	0	0	0	0	0	112.6	S7 A8 E9	S7-A11 PolarHBondContact O-N 3.47Å; A8-A11 PolarHBondContact O-N 3.22Å; E9-A11 VanDerWaalsContact C-N 3.25Å; E9-A11 PolarHBondContact O-N 3.17Å
12	V	93.2	Very high	87.1	Confident	107 Å²	107	118.6 Å²	118.6	65%	0.648	68%	0.681	S	S	*	*	H	α-helix	trans	-80.9	-39.4	-176.1	172.6	0	0	0	0	112.2	A8 E9	A8-V12 WeakPolarHBondContact O-CB 3.37Å; A8-V12 VanDerWaalsContact O-CG2 3.26Å; A8-V12 WeakPolarHBondContact O-CG2 3.21Å; A8-V12 PolarHBondContact O-N 3.09Å; E9-V12 PolarHBondContact O-N 2.86Å
13	F	93.3	Very high	89	Confident	157 Å²	157	113.2 Å²	113.2	69%	0.689	65%	0.653	S	S	*	*	S	Bend	trans	-104.4	33.3	-173.5	-58.6	-65.3	0	0	0	113	E9 D15	E9-F13 HydrophobicContact CB-CD2 4.23Å; E9-F13 HydrophobicContact CG-CE2 4.46Å; E9-F13 WeakPolarHBondContact O-CD2 3.32Å; E9-F13 PolarHBondContact O-N 3.02Å; F13-D15 PolarHBondContact O-N 3.1Å
14	R	92.7	Very high	90.7	Very high	217 Å²	217	115.3 Å²	115.3	82%	0.819	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-66.9	125.9	176.4	-172	176.5	-175.2	176	2.1	110.1	S16	R14-S16 PolarHBondContact O-N 3.12Å
15	D	93.2	Very high	92.1	Very high	155 Å²	155	114.5 Å²	114.5	83%	0.829	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-61.7	134.9	175.7	-66.2	-43.5	0	0	0	111.5	F13	F13-D15 PolarHBondContact O-N 3.1Å
16	S	94.9	Very high	93.1	Very high	113 Å²	113	116.3 Å²	116.3	79%	0.79	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-89	151.1	173.8	57.9	0	0	0	0	111.2	R14	R14-S16 PolarHBondContact O-N 3.12Å
17	V	95.5	Very high	93.9	Very high	128 Å²	128	122.6 Å²	122.6	78%	0.776	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-67	156.7	163.2	-62.8	0	0	0	0	110.6
18	E	96.5	Very high	94.6	Very high	187 Å²	187	120.4 Å²	120.4	87%	0.874	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-69.1	145.3	172.4	-69	-174.8	174.3	0	0	111.4
19	M	96.8	Very high	94.9	Very high	148 Å²	148	120.1 Å²	120.1	73%	0.729	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-79.7	147	174.9	-69.7	-63.4	-65.5	0	0	110.6	A23	M19-A23 HydrophobicContact CB-CB 4.34Å; M19-A23 HydrophobicContact CE-CB 4.08Å
20	P	96.7	Very high	95.1	Very high	82 Å²	82	119.4 Å²	119.4	53%	0.532	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-57.8	145.7	173.7	-22.4	32.5	0	0	0	112.2	S22 A23	P20-S22 PolarHBondContact O-N 2.97Å; P20-S22 VanDerWaalsContact O-N 3.13Å; P20-A23 WeakPolarHBondContact O-CB 3.34Å; P20-A23 PolarHBondContact O-N 3.22Å
21	E	96.1	Very high	95.3	Very high	205 Å²	205	121.8 Å²	121.8	96%	0.958	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-25.9	176.5	-65.8	-175.4	170.1	0	0	113.2	A23	E21-A23 PolarHBondContact O-N 3.27Å
22	S	95.7	Very high	95.4	Very high	108 Å²	108	125 Å²	125	76%	0.755	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-3.9	175.6	58.9	0	0	0	0	113.9	P20 T24	P20-S22 PolarHBondContact O-N 2.97Å; P20-S22 VanDerWaalsContact O-N 3.13Å; S22-T24 PolarHBondContact O-N 3.28Å
23	A	95.7	Very high	95.1	Very high	38 Å²	38	122.8 Å²	122.8	31%	0.314	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-64	131.3	-179.3	0	0	0	0	0	111	M19 P20 E21 V25	M19-A23 HydrophobicContact CB-CB 4.34Å; M19-A23 HydrophobicContact CE-CB 4.08Å; P20-A23 WeakPolarHBondContact O-CB 3.34Å; P20-A23 PolarHBondContact O-N 3.22Å; E21-A23 PolarHBondContact O-N 3.27Å; A23-V25 PolarHBondContact O-N 3.17Å
24	T	96	Very high	94.7	Very high	98 Å²	98	118.9 Å²	118.9	60%	0.601	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-76.9	117.7	176	-59.1	0	0	0	0	109.9	S22 T48	S22-T24 PolarHBondContact O-N 3.28Å; T24-T48 HydrophobicContact CG2-CG2 3.68Å
25	V	97.4	Very high	94.3	Very high	109 Å²	109	114.3 Å²	114.3	66%	0.661	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-74.3	130	174	-179.8	0	0	0	0	109.7	A23 R27	A23-V25 PolarHBondContact O-N 3.17Å; V25-R27 PolarHBondContact O-N 3.45Å
26	I	98.2	Very high	94.1	Very high	116 Å²	116	112.8 Å²	112.8	60%	0.595	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-69	124.1	178.1	-59.5	-57.4	0	0	0	110.1	T48	I26-T48 CarbonylContact C-O 3.5Å; I26-T48 WeakPolarHBondContact CA-O 3.4Å
27	R	97.2	Very high	93.8	Very high	186 Å²	186	111.5 Å²	111.5	70%	0.702	63%	0.625	S	S	*	*			trans	-155.9	121.4	177.4	-173.2	174.5	-70.9	-179.3	-1.6	109.7	V25 T48	V25-R27 PolarHBondContact O-N 3.45Å; R27-T48 CarbonylContact C-O 3.56Å; R27-T48 PolarHBondContact N-O 2.99Å; R27-T48 CarbonylContact O-C 3.57Å; R27-T48 WeakPolarHBondContact O-CB 3.41Å; R27-T48 PolarHBondContact O-OG1 3.44Å
28	G	96.1	Very high	93.6	Very high	43 Å²	43	107.7 Å²	107.7	44%	0.443	60%	0.604	S	S	.	*			trans	-76	-179.7	172	0	0	0	0	0	112.7
29	F	95.5	Very high	93.4	Very high	47 Å²	47	103 Å²	103	21%	0.206	59%	0.588	C	S	.	*			trans	-67.5	132.8	173.1	-170.5	-96.5	0	0	0	111.1	F31 L37 D41 L42 S45	F29-F31 HydrophobicContact CB-CE2 4.45Å; F29-F31 AromaticContact CD1-CD1 3.94Å; F29-F31 HydrophobicContact CD1-CD1 3.94Å; F29-F31 HydrophobicContact CD1-CD2 4.06Å; F29-F31 AromaticContact CD1-CE1 3.97Å; F29-F31 HydrophobicContact CD1-CE1 3.97Å; F29-F31 HydrophobicContact CD1-CE2 4.08Å; F29-F31 AromaticContact CD1-CG 4Å; F29-F31 HydrophobicContact CD1-CG 4Å; F29-F31 HydrophobicContact CD1-CZ 4.04Å; F29-F31 HydrophobicContact CE1-CD1 4.11Å; F29-F31 HydrophobicContact CE1-CE1 4.35Å; F29-F31 HydrophobicContact CE1-CG 4.39Å; F29-L37 HydrophobicContact CD1-CD1 4.35Å; F29-L37 HydrophobicContact CE1-CD1 3.48Å; F29-L37 VanDerWaalsContact CE1-CD1 3.48Å; F29-L37 HydrophobicContact CE2-CD1 4.01Å; F29-L37 HydrophobicContact CZ-CD1 3.29Å; F29-D41 WeakPolarHBondContact CD2-O 3.46Å; F29-D41 HydrophobicContact CE2-CB 4.22Å; F29-D41 WeakPolarHBondContact CE2-O 3.31Å; F29-L42 HydrophobicContact CB-CD1 3.67Å; F29-L42 HydrophobicContact CD1-CD1 4.26Å; F29-L42 HydrophobicContact CD2-CD1 4.48Å; F29-L42 HydrophobicContact CG-CD1 3.89Å; F29-S45 WeakPolarHBondContact CB-OG 3.44Å; F29-S45 PolarHBondContact N-OG 3.08Å
30	D	94.3	Very high	93.2	Very high	96 Å²	96	98 Å²	98	51%	0.513	57%	0.568	S	S	.	*			trans	-89.1	107.3	173	-177	9.3	0	0	0	110.5	N32 C33	D30-N32 PolarHBondContact O-N 2.99Å; D30-N32 WeakPolarHBondContact OD1-CB 3.43Å; D30-N32 PolarHBondContact OD1-N 3.44Å; D30-N32 PolarHBondContact OD1-ND2 2.95Å; D30-N32 VanDerWaalsContact OD1-ND2 3.09Å; D30-C33 PolarHBondContact O-N 3.48Å
31	F	93.8	Very high	92.9	Very high	139 Å²	139	96.9 Å²	96.9	61%	0.61	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-72.1	-9	178.1	-71.5	-84.9	0	0	0	113.7	F29 C33 L37 L42	F29-F31 HydrophobicContact CB-CE2 4.45Å; F29-F31 AromaticContact CD1-CD1 3.94Å; F29-F31 HydrophobicContact CD1-CD1 3.94Å; F29-F31 HydrophobicContact CD1-CD2 4.06Å; F29-F31 AromaticContact CD1-CE1 3.97Å; F29-F31 HydrophobicContact CD1-CE1 3.97Å; F29-F31 HydrophobicContact CD1-CE2 4.08Å; F29-F31 AromaticContact CD1-CG 4Å; F29-F31 HydrophobicContact CD1-CG 4Å; F29-F31 HydrophobicContact CD1-CZ 4.04Å; F29-F31 HydrophobicContact CE1-CD1 4.11Å; F29-F31 HydrophobicContact CE1-CE1 4.35Å; F29-F31 HydrophobicContact CE1-CG 4.39Å; F31-C33 PolarHBondContact O-N 3.25Å; F31-L37 HydrophobicContact CD1-CD2 4.28Å; F31-L37 HydrophobicContact CE1-CD2 3.8Å; F31-L42 HydrophobicContact CZ-CD1 4Å
32	N	94.2	Very high	92.9	Very high	147 Å²	147	89.5 Å²	89.5	79%	0.786	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-82.6	7.1	176.2	-59.1	-64.7	0	0	0	113.6	D30 G34	D30-N32 PolarHBondContact O-N 2.99Å; D30-N32 WeakPolarHBondContact OD1-CB 3.43Å; D30-N32 PolarHBondContact OD1-N 3.44Å; D30-N32 PolarHBondContact OD1-ND2 2.95Å; D30-N32 VanDerWaalsContact OD1-ND2 3.09Å; N32-G34 PolarHBondContact O-N 2.69Å; N32-G34 VanDerWaalsContact O-N 3.12Å
33	C	87.2	Confident	92.9	Very high	59 Å²	59	84.9 Å²	84.9	40%	0.399	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-66.4	-11.8	-176.3	67	0	0	0	0	115	D30 F31 N35	D30-C33 PolarHBondContact O-N 3.48Å; F31-C33 PolarHBondContact O-N 3.25Å; C33-N35 PolarHBondContact O-N 3.38Å
34	G	84.3	Confident	92.9	Very high	75 Å²	75	89.1 Å²	89.1	77%	0.773	50%	0.502	S	S	*	.			trans	70	-1	171.7	0	0	0	0	0	116.2	N32	N32-G34 PolarHBondContact O-N 2.69Å; N32-G34 VanDerWaalsContact O-N 3.12Å
35	N	84.7	Confident	92.9	Very high	121 Å²	121	85.2 Å²	85.2	65%	0.647	48%	0.478	S	S	*	.	S	Bend	trans	-97.6	156	179.7	-67.8	-39	0	0	0	111.6	C33 L37	C33-N35 PolarHBondContact O-N 3.38Å; N35-L37 PolarHBondContact O-N 3.05Å
36	P	89.5	Confident	92.9	Very high	123 Å²	123	83 Å²	83	80%	0.799	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-53.2	125.4	169.4	-25.1	34.4	0	0	0	111.2
37	L	89	Confident	92.9	Very high	87 Å²	87	80 Å²	80	46%	0.455	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-85.2	120.4	-177.1	179.3	63.4	0	0	0	110.8	F29 F31 N35 D41 L42	F29-L37 HydrophobicContact CD1-CD1 4.35Å; F29-L37 HydrophobicContact CE1-CD1 3.48Å; F29-L37 VanDerWaalsContact CE1-CD1 3.48Å; F29-L37 HydrophobicContact CE2-CD1 4.01Å; F29-L37 HydrophobicContact CZ-CD1 3.29Å; F31-L37 HydrophobicContact CD1-CD2 4.28Å; F31-L37 HydrophobicContact CE1-CD2 3.8Å; N35-L37 PolarHBondContact O-N 3.05Å; L37-D41 HydrophobicContact CD1-CB 4.34Å; L37-L42 HydrophobicContact CD1-CB 4.24Å
38	S	91.4	Very high	93	Very high	48 Å²	48	72.9 Å²	72.9	34%	0.336	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-93.4	154.2	163.8	83.6	0	0	0	0	111.2	S40 D41 L42	S38-S40 PolarHBondContact O-N 3.48Å; S38-S40 PolarHBondContact OG-N 2.92Å; S38-D41 WeakPolarHBondContact CB-OD2 3.07Å; S38-D41 PolarHBondContact O-N 3.33Å; S38-D41 VanDerWaalsContact O-N 3.1Å; S38-D41 PolarHBondContact OG-N 3.28Å; S38-D41 PolarHBondContact OG-OD2 2.88Å; S38-L42 PolarHBondContact O-N 3.1Å; S38-L42 VanDerWaalsContact O-N 3.15Å
39	V	91.2	Very high	93.1	Very high	89 Å²	89	73.5 Å²	73.5	54%	0.539	42%	0.42	S	S	.	.	H	α-helix	trans	-58.1	-34.6	172.8	175.7	0	0	0	0	110.8	L42 F43 L347	V39-L42 PolarHBondContact O-N 3.05Å; V39-F43 VanDerWaalsContact O-CB 3.3Å; V39-F43 WeakPolarHBondContact O-CB 2.96Å; V39-F43 PolarHBondContact O-N 3.27Å; V39-L347 HydrophobicContact CG1-CD2 3.99Å
40	S	93.4	Very high	93.2	Very high	43 Å²	43	72 Å²	72	30%	0.301	42%	0.418	S	S	.	.	H	α-helix	trans	-68.4	-36.5	178	-167.9	0	0	0	0	111.8	S38 F43 K44 Q351	S38-S40 PolarHBondContact O-N 3.48Å; S38-S40 PolarHBondContact OG-N 2.92Å; S40-F43 PolarHBondContact O-N 3.42Å; S40-K44 WeakPolarHBondContact O-CG 3.09Å; S40-K44 PolarHBondContact O-N 2.86Å; S40-Q351 PolarHBondContact OG-OE1 3.28Å
41	D	91	Very high	93.4	Very high	57 Å²	57	76.5 Å²	76.5	31%	0.305	43%	0.433	S	S	.	.	H	α-helix	trans	-67.6	-40.9	177.3	-61.5	-42.9	0	0	0	111.8	F29 L37 S38 K44	F29-D41 WeakPolarHBondContact CD2-O 3.46Å; F29-D41 HydrophobicContact CE2-CB 4.22Å; F29-D41 WeakPolarHBondContact CE2-O 3.31Å; L37-D41 HydrophobicContact CD1-CB 4.34Å; S38-D41 WeakPolarHBondContact CB-OD2 3.07Å; S38-D41 PolarHBondContact O-N 3.33Å; S38-D41 VanDerWaalsContact O-N 3.1Å; S38-D41 PolarHBondContact OG-N 3.28Å; S38-D41 PolarHBondContact OG-OD2 2.88Å; D41-K44 IonicContact OD1-NZ 2.83Å; D41-K44 PolarHBondContact OD1-NZ 3.48Å
42	L	94.7	Very high	93.6	Very high	51 Å²	51	73.1 Å²	73.1	27%	0.267	42%	0.419	S	S	.	.	H	α-helix	trans	-61.7	-47.8	170.6	177.7	60.1	0	0	0	111.3	F29 F31 L37 S38 V39 K44 S45 Y46	F29-L42 HydrophobicContact CB-CD1 3.67Å; F29-L42 HydrophobicContact CD1-CD1 4.26Å; F29-L42 HydrophobicContact CD2-CD1 4.48Å; F29-L42 HydrophobicContact CG-CD1 3.89Å; F31-L42 HydrophobicContact CZ-CD1 4Å; L37-L42 HydrophobicContact CD1-CB 4.24Å; S38-L42 PolarHBondContact O-N 3.1Å; S38-L42 VanDerWaalsContact O-N 3.15Å; V39-L42 PolarHBondContact O-N 3.05Å; L42-K44 VanDerWaalsContact C-N 3.28Å; L42-K44 PolarHBondContact O-N 3.27Å; L42-S45 PolarHBondContact O-N 3.41Å; L42-S45 VanDerWaalsContact O-N 3.15Å; L42-S45 PolarHBondContact O-OG 3Å; L42-Y46 HydrophobicContact CG-CE1 4.35Å
43	F	96.9	Very high	93.8	Very high	11 Å²	11	67.1 Å²	67.1	5%	0.048	39%	0.39	C	S	.	.	H	α-helix	trans	-64	-31.8	-175	-168	-85.3	0	0	0	112.7	V39 S40 S45 Y46 L56 V60 L347 Q351	V39-F43 VanDerWaalsContact O-CB 3.3Å; V39-F43 WeakPolarHBondContact O-CB 2.96Å; V39-F43 PolarHBondContact O-N 3.27Å; S40-F43 PolarHBondContact O-N 3.42Å; F43-S45 PolarHBondContact O-N 2.66Å; F43-S45 VanDerWaalsContact O-N 3.17Å; F43-Y46 HydrophobicContact CD2-CD2 4.02Å; F43-Y46 HydrophobicContact CD2-CE2 4.25Å; F43-Y46 HydrophobicContact CD2-CG 4.31Å; F43-Y46 AromaticContact CE2-CD2 3.93Å; F43-Y46 HydrophobicContact CE2-CD2 3.93Å; F43-Y46 HydrophobicContact CE2-CE2 4.3Å; F43-Y46 WeakPolarHBondContact O-CB 3.38Å; F43-Y46 PolarHBondContact O-N 3.2Å; F43-L56 HydrophobicContact CE2-CD2 3.83Å; F43-L56 HydrophobicContact CE2-CG 3.86Å; F43-L56 HydrophobicContact CZ-CD2 4.39Å; F43-L56 HydrophobicContact CZ-CG 3.9Å; F43-V60 HydrophobicContact CE1-CB 4.18Å; F43-V60 HydrophobicContact CE1-CG1 4.46Å; F43-V60 HydrophobicContact CE1-CG2 3.76Å; F43-V60 HydrophobicContact CZ-CB 4.39Å; F43-V60 HydrophobicContact CZ-CG2 3.56Å; F43-L347 HydrophobicContact CD2-CB 4.43Å; F43-L347 HydrophobicContact CE2-CB 4.08Å; F43-Q351 HydrophobicContact CB-CG 4.24Å; F43-Q351 HydrophobicContact CD1-CB 4.26Å; F43-Q351 HydrophobicContact CD1-CG 3.61Å; F43-Q351 HydrophobicContact CD2-CG 4.08Å; F43-Q351 HydrophobicContact CE1-CB 4.17Å; F43-Q351 HydrophobicContact CE1-CG 3.9Å; F43-Q351 HydrophobicContact CE2-CG 4.33Å; F43-Q351 HydrophobicContact CG-CG 3.7Å; F43-Q351 HydrophobicContact CZ-CG 4.24Å
44	K	94.9	Very high	94.4	Very high	127 Å²	127	65.5 Å²	65.5	55%	0.552	38%	0.378	S	S	*	.	H	α-helix	trans	-54.5	-35.5	175.5	-75.1	165	-164.7	162.8	0	112.7	S40 D41 L42 Y46 S47	S40-K44 WeakPolarHBondContact O-CG 3.09Å; S40-K44 PolarHBondContact O-N 2.86Å; D41-K44 IonicContact OD1-NZ 2.83Å; D41-K44 PolarHBondContact OD1-NZ 3.48Å; L42-K44 VanDerWaalsContact C-N 3.28Å; L42-K44 PolarHBondContact O-N 3.27Å; K44-Y46 PolarHBondContact O-N 3.4Å; K44-S47 PolarHBondContact O-OG 2.93Å
45	S	96.2	Very high	95.1	Very high	15 Å²	15	65.1 Å²	65.1	11%	0.105	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-71.2	-13.1	178.7	83.4	0	0	0	0	113.4	F29 L42 F43 S47 T48 T49	F29-S45 WeakPolarHBondContact CB-OG 3.44Å; F29-S45 PolarHBondContact N-OG 3.08Å; L42-S45 PolarHBondContact O-N 3.41Å; L42-S45 VanDerWaalsContact O-N 3.15Å; L42-S45 PolarHBondContact O-OG 3Å; F43-S45 PolarHBondContact O-N 2.66Å; F43-S45 VanDerWaalsContact O-N 3.17Å; S45-S47 PolarHBondContact O-N 2.99Å; S45-T48 CarbonylContact O-C 3.51Å; S45-T48 PolarHBondContact O-N 3.37Å; S45-T48 PolarHBondContact O-OG1 3.28Å; S45-T48 VanDerWaalsContact O-OG1 3.1Å; S45-T49 PolarHBondContact O-N 2.75Å; S45-T49 PolarHBondContact O-OG1 3.34Å
46	Y	98.1	Very high	95.7	Very high	63 Å²	63	59.9 Å²	59.9	25%	0.247	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-62.5	-32.7	-177.3	-83.7	33.7	0	0	0	111.5	L42 F43 K44 T48 T49 A53 T54 L56	L42-Y46 HydrophobicContact CG-CE1 4.35Å; F43-Y46 HydrophobicContact CD2-CD2 4.02Å; F43-Y46 HydrophobicContact CD2-CE2 4.25Å; F43-Y46 HydrophobicContact CD2-CG 4.31Å; F43-Y46 AromaticContact CE2-CD2 3.93Å; F43-Y46 HydrophobicContact CE2-CD2 3.93Å; F43-Y46 HydrophobicContact CE2-CE2 4.3Å; F43-Y46 WeakPolarHBondContact O-CB 3.38Å; F43-Y46 PolarHBondContact O-N 3.2Å; K44-Y46 PolarHBondContact O-N 3.4Å; Y46-T48 PolarHBondContact O-N 2.92Å; Y46-T49 PolarHBondContact O-N 2.93Å; Y46-A53 HydrophobicContact CD2-CB 3.9Å; Y46-A53 HydrophobicContact CE2-CB 4.41Å; Y46-A53 HydrophobicContact CG-CB 4Å; Y46-A53 CarbonylContact O-C 3.53Å; Y46-T54 VanDerWaalsContact O-CA 3.27Å; Y46-T54 WeakPolarHBondContact O-CA 3.11Å; Y46-T54 PolarHBondContact O-N 3.47Å; Y46-T54 VanDerWaalsContact O-N 3.16Å; Y46-T54 PolarHBondContact O-OG1 3.05Å; Y46-L56 HydrophobicContact CD2-CD2 4.31Å; Y46-L56 HydrophobicContact CE2-CD2 4.18Å
47	S	97.8	Very high	96.2	Very high	53 Å²	53	54.6 Å²	54.6	37%	0.371	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-53.1	-37.8	172.4	59.7	0	0	0	0	112.8	K44 S45 T54 S57	K44-S47 PolarHBondContact O-OG 2.93Å; S45-S47 PolarHBondContact O-N 2.99Å; S47-T54 PolarHBondContact O-OG1 3Å; S47-S57 WeakPolarHBondContact CB-OG 3.35Å
48	T	98.2	Very high	96.6	Very high	37 Å²	37	55.7 Å²	55.7	23%	0.227	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-106.5	7	-176	57	0	0	0	0	113.8	T24 I26 R27 S45 Y46	T24-T48 HydrophobicContact CG2-CG2 3.68Å; I26-T48 CarbonylContact C-O 3.5Å; I26-T48 WeakPolarHBondContact CA-O 3.4Å; R27-T48 CarbonylContact C-O 3.56Å; R27-T48 PolarHBondContact N-O 2.99Å; R27-T48 CarbonylContact O-C 3.57Å; R27-T48 WeakPolarHBondContact O-CB 3.41Å; R27-T48 PolarHBondContact O-OG1 3.44Å; S45-T48 CarbonylContact O-C 3.51Å; S45-T48 PolarHBondContact O-N 3.37Å; S45-T48 PolarHBondContact O-OG1 3.28Å; S45-T48 VanDerWaalsContact O-OG1 3.1Å; Y46-T48 PolarHBondContact O-N 2.92Å
49	T	98.4	Very high	97	Very high	55 Å²	55	53.4 Å²	53.4	34%	0.337	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-30.4	-176.9	-62.6	0	0	0	0	113	S45 Y46 A53	S45-T49 PolarHBondContact O-N 2.75Å; S45-T49 PolarHBondContact O-OG1 3.34Å; Y46-T49 PolarHBondContact O-N 2.93Å; T49-A53 HydrophobicContact CG2-CB 3.93Å
50	G	98.1	Very high	97.3	Very high	15 Å²	15	49.6 Å²	49.6	16%	0.155	26%	0.256	C	S	.	.			trans	95.5	170.1	-178.3	0	0	0	0	0	114.1	A53 T54	G50-A53 WeakPolarHBondContact O-CB 3.41Å; G50-A53 PolarHBondContact O-N 3.15Å; G50-T54 VanDerWaalsContact CA-OG1 3.28Å; G50-T54 WeakPolarHBondContact CA-OG1 3.44Å; G50-T54 PolarHBondContact N-OG1 3.5Å
51	F	98.4	Very high	97.6	Very high	192 Å²	192	51.7 Å²	51.7	84%	0.842	26%	0.264	S	S	*	.	H	α-helix	trans	50.9	-137.6	-178.4	-50.6	-50.2	0	0	0	113.1	A53 T54 H55	F51-A53 VanDerWaalsContact C-N 3.25Å; F51-A53 PolarHBondContact O-N 3.22Å; F51-T54 PolarHBondContact O-N 2.86Å; F51-H55 PolarHBondContact O-CD2 3.45Å; F51-H55 PolarHBondContact O-N 2.97Å
52	Q	98.6	Very high	97.9	Very high	68 Å²	68	49.3 Å²	49.3	32%	0.318	25%	0.251	S	S	.	.	H	α-helix	trans	-69.7	-18.4	-176.2	-62.4	-56.7	-40.5	0	0	113.8	H55 L56 V338	Q52-H55 PolarHBondContact O-N 3.1Å; Q52-L56 PolarHBondContact O-N 3.02Å; Q52-V338 HydrophobicContact CG-CB 4.3Å
53	A	98.6	Very high	98.1	Very high	20 Å²	20	46.9 Å²	46.9	17%	0.165	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-46.7	172.1	0	0	0	0	0	110.3	Y46 T49 G50 F51 H55 L56 S57	Y46-A53 HydrophobicContact CD2-CB 3.9Å; Y46-A53 HydrophobicContact CE2-CB 4.41Å; Y46-A53 HydrophobicContact CG-CB 4Å; Y46-A53 CarbonylContact O-C 3.53Å; T49-A53 HydrophobicContact CG2-CB 3.93Å; G50-A53 WeakPolarHBondContact O-CB 3.41Å; G50-A53 PolarHBondContact O-N 3.15Å; F51-A53 VanDerWaalsContact C-N 3.25Å; F51-A53 PolarHBondContact O-N 3.22Å; A53-H55 VanDerWaalsContact C-N 3.3Å; A53-H55 PolarHBondContact O-N 3.42Å; A53-L56 PolarHBondContact O-N 2.94Å; A53-S57 PolarHBondContact O-N 3.38Å
54	T	98.6	Very high	98.2	Very high	25 Å²	25	48.8 Å²	48.8	15%	0.153	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-38	175.2	-61.8	0	0	0	0	111.5	Y46 S47 G50 F51 S57 K58	Y46-T54 VanDerWaalsContact O-CA 3.27Å; Y46-T54 WeakPolarHBondContact O-CA 3.11Å; Y46-T54 PolarHBondContact O-N 3.47Å; Y46-T54 VanDerWaalsContact O-N 3.16Å; Y46-T54 PolarHBondContact O-OG1 3.05Å; S47-T54 PolarHBondContact O-OG1 3Å; G50-T54 VanDerWaalsContact CA-OG1 3.28Å; G50-T54 WeakPolarHBondContact CA-OG1 3.44Å; G50-T54 PolarHBondContact N-OG1 3.5Å; F51-T54 PolarHBondContact O-N 2.86Å; T54-S57 PolarHBondContact O-N 3.16Å; T54-K58 HydrophobicContact CG2-CD 4.3Å; T54-K58 WeakPolarHBondContact O-CG 3.44Å; T54-K58 PolarHBondContact O-N 2.83Å
55	H	98.8	Very high	98.4	Very high	68 Å²	68	47 Å²	47	32%	0.315	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-42.3	175.9	-72.4	-146.7	0	0	0	111.7	F51 Q52 A53 S57 K58 A59 V335 K336 V337	F51-H55 PolarHBondContact O-CD2 3.45Å; F51-H55 PolarHBondContact O-N 2.97Å; Q52-H55 PolarHBondContact O-N 3.1Å; A53-H55 VanDerWaalsContact C-N 3.3Å; A53-H55 PolarHBondContact O-N 3.42Å; H55-S57 VanDerWaalsContact C-N 3.33Å; H55-S57 PolarHBondContact O-N 3.04Å; H55-K58 PolarHBondContact O-N 3.45Å; H55-A59 WeakPolarHBondContact O-CB 3.43Å; H55-A59 PolarHBondContact O-N 2.88Å; H55-V335 HydrophobicContact CB-CG1 4.42Å; H55-V335 VanDerWaalsContact O-CG1 3.31Å; H55-V335 WeakPolarHBondContact O-CG1 3.3Å; H55-K336 PolarHBondContact ND1-O 3.49Å; H55-V337 HydrophobicContact CB-CG2 4.27Å
56	L	98.8	Very high	98.5	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-37.1	176.8	-175.8	56.3	0	0	0	112.1	F43 Y46 Q52 A53 A59 V60 V337 A344 L347 L348	F43-L56 HydrophobicContact CE2-CD2 3.83Å; F43-L56 HydrophobicContact CE2-CG 3.86Å; F43-L56 HydrophobicContact CZ-CD2 4.39Å; F43-L56 HydrophobicContact CZ-CG 3.9Å; Y46-L56 HydrophobicContact CD2-CD2 4.31Å; Y46-L56 HydrophobicContact CE2-CD2 4.18Å; Q52-L56 PolarHBondContact O-N 3.02Å; A53-L56 PolarHBondContact O-N 2.94Å; L56-A59 PolarHBondContact O-N 3.24Å; L56-V60 PolarHBondContact O-N 2.96Å; L56-V60 VanDerWaalsContact O-N 3.11Å; L56-V337 HydrophobicContact CB-CG1 4.2Å; L56-V337 HydrophobicContact CB-CG2 4.46Å; L56-V337 HydrophobicContact CD1-CG1 4.43Å; L56-V337 HydrophobicContact CD1-CG2 4.38Å; L56-A344 HydrophobicContact CD1-CB 4.05Å; L56-A344 HydrophobicContact CD2-CB 4.38Å; L56-L347 HydrophobicContact CD2-CB 4.4Å; L56-L347 HydrophobicContact CD2-CD1 4.12Å; L56-L348 HydrophobicContact CD1-CB 4.43Å
57	S	98.5	Very high	98.5	Very high	12 Å²	12	44.1 Å²	44.1	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-48.5	171.4	-170.5	0	0	0	0	111.6	S47 A53 T54 H55 A59 V60 D61	S47-S57 WeakPolarHBondContact CB-OG 3.35Å; A53-S57 PolarHBondContact O-N 3.38Å; T54-S57 PolarHBondContact O-N 3.16Å; H55-S57 VanDerWaalsContact C-N 3.33Å; H55-S57 PolarHBondContact O-N 3.04Å; S57-A59 VanDerWaalsContact C-N 3.26Å; S57-A59 PolarHBondContact O-N 2.84Å; S57-V60 WeakPolarHBondContact O-CB 3.49Å; S57-V60 PolarHBondContact O-N 2.83Å; S57-V60 VanDerWaalsContact O-N 3.09Å; S57-D61 PolarHBondContact O-N 2.83Å
58	K	98.6	Very high	98.4	Very high	110 Å²	110	44.6 Å²	44.6	48%	0.478	23%	0.23	S	C	.	.	H	α-helix	trans	-60.6	-35.8	176.7	-72.3	176.3	176.8	-177.7	0	112.3	T54 H55 V60 D61 E62 V335	T54-K58 HydrophobicContact CG2-CD 4.3Å; T54-K58 WeakPolarHBondContact O-CG 3.44Å; T54-K58 PolarHBondContact O-N 2.83Å; H55-K58 PolarHBondContact O-N 3.45Å; K58-V60 VanDerWaalsContact C-N 3.34Å; K58-D61 PolarHBondContact O-N 2.94Å; K58-E62 WeakPolarHBondContact O-CB 3.04Å; K58-E62 PolarHBondContact O-N 3.34Å; K58-V335 HydrophobicContact CB-CG1 4.1Å; K58-V335 HydrophobicContact CB-CG2 3.98Å
59	A	98.8	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-38.7	175.4	0	0	0	0	0	111.9	H55 L56 S57 E62 V63 V302 V335 V337 L348	H55-A59 WeakPolarHBondContact O-CB 3.43Å; H55-A59 PolarHBondContact O-N 2.88Å; L56-A59 PolarHBondContact O-N 3.24Å; S57-A59 VanDerWaalsContact C-N 3.26Å; S57-A59 PolarHBondContact O-N 2.84Å; A59-E62 PolarHBondContact O-N 3.43Å; A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 3.4Å; A59-V302 HydrophobicContact CB-CG1 3.74Å; A59-V302 HydrophobicContact CB-CG2 4.19Å; A59-V335 HydrophobicContact CB-CB 4.47Å; A59-V335 HydrophobicContact CB-CG1 4.02Å; A59-V337 HydrophobicContact CB-CG2 3.79Å; A59-L348 HydrophobicContact CB-CD1 3.95Å
60	V	98.7	Very high	98.2	Very high	8 Å²	8	42.9 Å²	42.9	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-43.9	172.6	166.5	0	0	0	0	111	F43 L56 S57 K58 E62 V63 N64 L348 Q351	F43-V60 HydrophobicContact CE1-CB 4.18Å; F43-V60 HydrophobicContact CE1-CG1 4.46Å; F43-V60 HydrophobicContact CE1-CG2 3.76Å; F43-V60 HydrophobicContact CZ-CB 4.39Å; F43-V60 HydrophobicContact CZ-CG2 3.56Å; L56-V60 PolarHBondContact O-N 2.96Å; L56-V60 VanDerWaalsContact O-N 3.11Å; S57-V60 WeakPolarHBondContact O-CB 3.49Å; S57-V60 PolarHBondContact O-N 2.83Å; S57-V60 VanDerWaalsContact O-N 3.09Å; K58-V60 VanDerWaalsContact C-N 3.34Å; V60-E62 VanDerWaalsContact C-N 3.31Å; V60-E62 PolarHBondContact O-N 2.9Å; V60-V63 PolarHBondContact O-N 2.91Å; V60-N64 WeakPolarHBondContact O-CB 3.38Å; V60-N64 VanDerWaalsContact O-CG 3.3Å; V60-N64 PolarHBondContact O-N 2.89Å; V60-N64 PolarHBondContact O-ND2 3.33Å; V60-L348 HydrophobicContact CG2-CB 4.41Å; V60-L348 HydrophobicContact CG2-CG 4.29Å; V60-Q351 HydrophobicContact CG1-CB 3.78Å; V60-Q351 WeakPolarHBondContact CG1-O 3.37Å; V60-Q351 HydrophobicContact CG2-CB 3.95Å
61	D	98.4	Very high	97.9	Very high	88 Å²	88	48.8 Å²	48.8	47%	0.471	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-45.2	175.4	-63.8	-31.7	0	0	0	110.8	S57 K58 V63 N64 R65	S57-D61 PolarHBondContact O-N 2.83Å; K58-D61 PolarHBondContact O-N 2.94Å; D61-V63 PolarHBondContact O-N 3.2Å; D61-N64 WeakPolarHBondContact O-CB 3.47Å; D61-N64 PolarHBondContact O-N 2.8Å; D61-R65 WeakPolarHBondContact O-CG 3.28Å; D61-R65 PolarHBondContact O-N 3.27Å
62	E	98.6	Very high	97.5	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.028	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-46	178.8	-163.3	64	-169	0	0	112.7	K58 A59 V60 N64 R65 M66 F300 V302 V335	K58-E62 WeakPolarHBondContact O-CB 3.04Å; K58-E62 PolarHBondContact O-N 3.34Å; A59-E62 PolarHBondContact O-N 3.43Å; V60-E62 VanDerWaalsContact C-N 3.31Å; V60-E62 PolarHBondContact O-N 2.9Å; E62-N64 VanDerWaalsContact C-N 3.32Å; E62-N64 PolarHBondContact O-N 2.87Å; E62-R65 WeakPolarHBondContact O-CB 3.22Å; E62-R65 PolarHBondContact O-N 3.28Å; E62-R65 VanDerWaalsContact O-N 3.15Å; E62-R65 IonicContact OE1-CZ 3.46Å; E62-R65 IonicContact OE1-NE 3.94Å; E62-R65 IonicContact OE1-NH2 2.75Å; E62-R65 PolarHBondContact OE1-NH2 3.39Å; E62-R65 IonicContact OE2-CZ 3.06Å; E62-R65 IonicContact OE2-NE 2.93Å; E62-R65 PolarHBondContact OE2-NE 3.39Å; E62-R65 IonicContact OE2-NH2 2.56Å; E62-R65 PolarHBondContact OE2-NH2 3.35Å; E62-M66 HydrophobicContact CG-CE 4.15Å; E62-M66 WeakPolarHBondContact O-CG 3.5Å; E62-M66 PolarHBondContact O-N 3.25Å; E62-F300 HydrophobicContact CG-CB 4.32Å; E62-F300 WeakPolarHBondContact OE1-CA 3.47Å; E62-F300 WeakPolarHBondContact OE1-CB 3.49Å; E62-F300 WeakPolarHBondContact OE1-CD1 3.28Å; E62-V302 HydrophobicContact CB-CG2 3.64Å; E62-V302 HydrophobicContact CG-CG2 3.73Å; E62-V335 HydrophobicContact CB-CG2 4.43Å
63	V	98.8	Very high	96.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-36.7	175.8	174.2	0	0	0	0	111.2	A59 V60 D61 R65 M66 I67 I277 V302 L348 S352 F353	A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 3.4Å; V60-V63 PolarHBondContact O-N 2.91Å; D61-V63 PolarHBondContact O-N 3.2Å; V63-R65 VanDerWaalsContact C-N 3.29Å; V63-R65 PolarHBondContact O-N 2.96Å; V63-M66 HydrophobicContact CG2-SD 4.4Å; V63-M66 WeakPolarHBondContact O-CB 3.34Å; V63-M66 PolarHBondContact O-N 2.96Å; V63-M66 VanDerWaalsContact O-N 3.16Å; V63-I67 HydrophobicContact CG1-CD1 3.96Å; V63-I67 HydrophobicContact CG1-CG1 4.38Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.37Å; V63-I67 PolarHBondContact O-N 3.38Å; V63-I277 HydrophobicContact CG1-CD1 4.21Å; V63-I277 HydrophobicContact CG2-CD1 3.76Å; V63-I277 HydrophobicContact CG2-CG1 4.19Å; V63-V302 HydrophobicContact CG2-CG2 4.01Å; V63-L348 HydrophobicContact CG2-CD1 4.08Å; V63-L348 HydrophobicContact CG2-CD2 4.18Å; V63-L348 HydrophobicContact CG2-CG 4.45Å; V63-S352 WeakPolarHBondContact CG1-OG 3.4Å; V63-F353 HydrophobicContact CG1-CD2 3.99Å; V63-F353 HydrophobicContact CG1-CE1 4.25Å; V63-F353 HydrophobicContact CG1-CE2 3.47Å; V63-F353 VanDerWaalsContact CG1-CE2 3.47Å; V63-F353 HydrophobicContact CG1-CZ 3.62Å
64	N	98.4	Very high	95.5	Very high	52 Å²	52	49 Å²	49	28%	0.278	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-34	173.2	-76	-34.2	0	0	0	112.2	V60 D61 E62 I67 S68 S352	V60-N64 WeakPolarHBondContact O-CB 3.38Å; V60-N64 VanDerWaalsContact O-CG 3.3Å; V60-N64 PolarHBondContact O-N 2.89Å; V60-N64 PolarHBondContact O-ND2 3.33Å; D61-N64 WeakPolarHBondContact O-CB 3.47Å; D61-N64 PolarHBondContact O-N 2.8Å; E62-N64 VanDerWaalsContact C-N 3.32Å; E62-N64 PolarHBondContact O-N 2.87Å; N64-I67 PolarHBondContact O-N 2.99Å; N64-S68 WeakPolarHBondContact O-CB 3.49Å; N64-S68 PolarHBondContact O-N 3.15Å; N64-S68 PolarHBondContact O-OG 2.88Å; N64-S352 VanDerWaalsContact OD1-CA 3.3Å; N64-S352 WeakPolarHBondContact OD1-CA 3.46Å; N64-S352 WeakPolarHBondContact OD1-CB 3.38Å
65	R	98.4	Very high	94	Very high	90 Å²	90	57.5 Å²	57.5	34%	0.34	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-41.9	170.6	-63	-163.3	-61.1	134.2	-11.9	111.4	D61 E62 V63 S68 A69 F300 N333	D61-R65 WeakPolarHBondContact O-CG 3.28Å; D61-R65 PolarHBondContact O-N 3.27Å; E62-R65 WeakPolarHBondContact O-CB 3.22Å; E62-R65 PolarHBondContact O-N 3.28Å; E62-R65 VanDerWaalsContact O-N 3.15Å; E62-R65 IonicContact OE1-CZ 3.46Å; E62-R65 IonicContact OE1-NE 3.94Å; E62-R65 IonicContact OE1-NH2 2.75Å; E62-R65 PolarHBondContact OE1-NH2 3.39Å; E62-R65 IonicContact OE2-CZ 3.06Å; E62-R65 IonicContact OE2-NE 2.93Å; E62-R65 PolarHBondContact OE2-NE 3.39Å; E62-R65 IonicContact OE2-NH2 2.56Å; E62-R65 PolarHBondContact OE2-NH2 3.35Å; V63-R65 VanDerWaalsContact C-N 3.29Å; V63-R65 PolarHBondContact O-N 2.96Å; R65-S68 PolarHBondContact O-N 2.91Å; R65-A69 WeakPolarHBondContact O-CB 3.31Å; R65-A69 PolarHBondContact O-N 2.85Å; R65-F300 HydrophobicContact CB-CD1 4.01Å; R65-F300 HydrophobicContact CB-CE1 3.68Å; R65-F300 HydrophobicContact CB-CZ 4.49Å; R65-N333 PolarHBondContact NH2-ND2 3.04Å
66	M	98.4	Very high	92.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-51.8	173.4	-61.5	175.6	-165.3	0	0	111.1	E62 V63 S68 A69 R70 I97 M276 I277 F300 V302	E62-M66 HydrophobicContact CG-CE 4.15Å; E62-M66 WeakPolarHBondContact O-CG 3.5Å; E62-M66 PolarHBondContact O-N 3.25Å; V63-M66 HydrophobicContact CG2-SD 4.4Å; V63-M66 WeakPolarHBondContact O-CB 3.34Å; V63-M66 PolarHBondContact O-N 2.96Å; V63-M66 VanDerWaalsContact O-N 3.16Å; M66-S68 VanDerWaalsContact C-N 3.33Å; M66-S68 PolarHBondContact O-N 3.45Å; M66-A69 CarbonylContact O-C 3.54Å; M66-A69 WeakPolarHBondContact O-CB 3.47Å; M66-A69 PolarHBondContact O-N 3.19Å; M66-A69 VanDerWaalsContact O-N 3.13Å; M66-R70 VanDerWaalsContact O-CG 3.31Å; M66-R70 WeakPolarHBondContact O-CG 3.49Å; M66-R70 PolarHBondContact O-N 3.22Å; M66-I97 HydrophobicContact CB-CD1 3.76Å; M66-I97 HydrophobicContact CB-CG1 4.27Å; M66-I97 HydrophobicContact SD-CD1 4.41Å; M66-M276 WeakPolarHBondContact CE-O 3.5Å; M66-I277 HydrophobicContact CE-CG1 4.07Å; M66-I277 HydrophobicContact SD-CD1 4.05Å; M66-I277 HydrophobicContact SD-CG1 3.85Å; M66-F300 HydrophobicContact CE-CB 3.47Å; M66-F300 VanDerWaalsContact CE-CB 3.47Å; M66-F300 HydrophobicContact CG-CB 3.46Å; M66-F300 VanDerWaalsContact CG-CB 3.46Å; M66-F300 HydrophobicContact CG-CD1 4.4Å; M66-F300 HydrophobicContact CG-CD2 3.85Å; M66-F300 HydrophobicContact CG-CG 3.66Å; M66-F300 HydrophobicContact SD-CB 4.19Å; M66-V302 HydrophobicContact CE-CG2 4.09Å
67	I	98	Very high	90.4	Very high	16 Å²	16	66.7 Å²	66.7	8%	0.082	34%	0.339	C	S	.	.	H	α-helix	trans	-57	-46.2	179.8	-69.1	165.9	0	0	0	111	V63 N64 A69 R70 M71 F353 A356	V63-I67 HydrophobicContact CG1-CD1 3.96Å; V63-I67 HydrophobicContact CG1-CG1 4.38Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.37Å; V63-I67 PolarHBondContact O-N 3.38Å; N64-I67 PolarHBondContact O-N 2.99Å; I67-A69 VanDerWaalsContact C-N 3.35Å; I67-A69 PolarHBondContact O-N 2.88Å; I67-R70 WeakPolarHBondContact O-CB 3.42Å; I67-R70 PolarHBondContact O-N 2.78Å; I67-M71 HydrophobicContact CG2-CE 3.94Å; I67-F353 HydrophobicContact CD1-CD1 3.75Å; I67-F353 HydrophobicContact CD1-CE1 4.08Å; I67-F353 HydrophobicContact CD1-CG 4.2Å; I67-F353 HydrophobicContact CG1-CD1 4.1Å; I67-F353 HydrophobicContact CG1-CE1 4.02Å; I67-A356 HydrophobicContact CD1-CB 4.14Å; I67-A356 HydrophobicContact CG2-CB 3.75Å
68	S	97.3	Very high	88.8	Confident	64 Å²	64	70.6 Å²	70.6	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-42.6	177.5	-57.6	0	0	0	0	111.4	N64 R65 M66 R70 M71	N64-S68 WeakPolarHBondContact O-CB 3.49Å; N64-S68 PolarHBondContact O-N 3.15Å; N64-S68 PolarHBondContact O-OG 2.88Å; R65-S68 PolarHBondContact O-N 2.91Å; M66-S68 VanDerWaalsContact C-N 3.33Å; M66-S68 PolarHBondContact O-N 3.45Å; S68-R70 VanDerWaalsContact C-N 3.3Å; S68-R70 PolarHBondContact O-N 2.87Å; S68-M71 PolarHBondContact O-N 3.42Å
69	A	96.4	Very high	87.4	Confident	4 Å²	4	68.7 Å²	68.7	3%	0.033	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-31.7	176.3	0	0	0	0	0	112.6	R65 M66 I67 M71 Q72 G94 C95 K273 F300	R65-A69 WeakPolarHBondContact O-CB 3.31Å; R65-A69 PolarHBondContact O-N 2.85Å; M66-A69 CarbonylContact O-C 3.54Å; M66-A69 WeakPolarHBondContact O-CB 3.47Å; M66-A69 PolarHBondContact O-N 3.19Å; M66-A69 VanDerWaalsContact O-N 3.13Å; I67-A69 VanDerWaalsContact C-N 3.35Å; I67-A69 PolarHBondContact O-N 2.88Å; A69-M71 PolarHBondContact O-N 3.48Å; A69-Q72 PolarHBondContact O-N 2.75Å; A69-Q72 VanDerWaalsContact O-N 3.15Å; A69-G94 CarbonylContact O-C 3.53Å; A69-G94 VanDerWaalsContact O-C 3.29Å; A69-G94 VanDerWaalsContact O-CA 3.3Å; A69-G94 WeakPolarHBondContact O-CA 3.32Å; A69-C95 HydrophobicContact CB-CB 3.71Å; A69-K273 HydrophobicContact CB-CD 4.24Å; A69-F300 HydrophobicContact CB-CE2 3.9Å; A69-F300 HydrophobicContact CB-CZ 3.93Å
70	R	95.4	Very high	86.2	Confident	51 Å²	51	72.2 Å²	72.2	19%	0.192	39%	0.392	C	S	.	.	H	α-helix	trans	-58.6	-35.1	174.7	-60.5	-158.5	72.8	-116.7	10.6	112.6	M66 I67 S68 Q72 S93 G94 C95 I97 E121 D124	M66-R70 VanDerWaalsContact O-CG 3.31Å; M66-R70 WeakPolarHBondContact O-CG 3.49Å; M66-R70 PolarHBondContact O-N 3.22Å; I67-R70 WeakPolarHBondContact O-CB 3.42Å; I67-R70 PolarHBondContact O-N 2.78Å; S68-R70 VanDerWaalsContact C-N 3.3Å; S68-R70 PolarHBondContact O-N 2.87Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-S93 PolarHBondContact NE-OG 2.79Å; R70-S93 PolarHBondContact NH2-OG 2.76Å; R70-G94 PolarHBondContact O-N 3.2Å; R70-C95 HydrophobicContact CG-CB 3.98Å; R70-C95 VanDerWaalsContact CG-O 3.29Å; R70-C95 WeakPolarHBondContact CG-O 3.25Å; R70-C95 PolarHBondContact NE-O 3.02Å; R70-I97 HydrophobicContact CG-CD1 4.1Å; R70-I97 HydrophobicContact CG-CG1 4.29Å; R70-E121 PolarHBondContact NH1-O 2.72Å; R70-D124 IonicContact CZ-OD1 3.81Å; R70-D124 IonicContact CZ-OD2 3.42Å; R70-D124 IonicContact NE-OD2 3.06Å; R70-D124 PolarHBondContact NE-OD2 3.32Å; R70-D124 IonicContact NH2-OD1 2.7Å; R70-D124 PolarHBondContact NH2-OD1 2.88Å; R70-D124 IonicContact NH2-OD2 2.99Å; R70-D124 PolarHBondContact NH2-OD2 3.03Å
71	M	90.9	Very high	85.5	Confident	140 Å²	140	75.5 Å²	75.5	69%	0.69	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.4	-177.6	-59.3	178.8	-173	0	0	112.9	I67 S68 A69 L73	I67-M71 HydrophobicContact CG2-CE 3.94Å; S68-M71 PolarHBondContact O-N 3.42Å; A69-M71 PolarHBondContact O-N 3.48Å; M71-L73 PolarHBondContact O-N 3.25Å
72	Q	89.5	Confident	85.2	Confident	124 Å²	124	73.7 Å²	73.7	58%	0.579	41%	0.41	S	S	*	.			trans	-97.3	86.1	-178	-65.5	174.7	-5.4	0	0	110.2	A69 R70 P74 G94	A69-Q72 PolarHBondContact O-N 2.75Å; A69-Q72 VanDerWaalsContact O-N 3.15Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; Q72-P74 WeakPolarHBondContact O-CD 3.49Å; Q72-G94 VanDerWaalsContact O-CA 3.29Å; Q72-G94 WeakPolarHBondContact O-CA 3.22Å
73	L	80.7	Confident	85	Confident	101 Å²	101	74 Å²	74	53%	0.529	41%	0.411	S	S	.	.			trans	-72.7	125.2	171	-74.3	168.1	0	0	0	109.4	M71	M71-L73 PolarHBondContact O-N 3.25Å
74	P	74.6	Confident	84.7	Confident	58 Å²	58	79.7 Å²	79.7	38%	0.377	44%	0.438	S	S	.	.			trans	-68.2	147	176.6	24.5	-29.1	0	0	0	111	Q72 Q76 F272	Q72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-Q76 PolarHBondContact O-N 3.15Å; P74-F272 HydrophobicContact CB-CD1 4.39Å; P74-F272 HydrophobicContact CG-CB 4.03Å; P74-F272 HydrophobicContact CG-CD1 3.11Å; P74-F272 HydrophobicContact CG-CD2 4.03Å; P74-F272 HydrophobicContact CG-CE1 3.35Å; P74-F272 HydrophobicContact CG-CE2 4.23Å; P74-F272 HydrophobicContact CG-CG 3.47Å; P74-F272 VanDerWaalsContact CG-CG 3.47Å; P74-F272 HydrophobicContact CG-CZ 3.92Å
75	E	67.9	Low	84.7	Confident	204 Å²	204	78.1 Å²	78.1	95%	0.953	43%	0.429	S	S	*	.	S	Bend	trans	-63.6	-27.6	-177.3	-67.5	-178.1	167.8	0	0	113
76	Q	61.6	Low	84.5	Confident	170 Å²	170	76.4 Å²	76.4	79%	0.794	43%	0.429	S	S	*	.	S	Bend	trans	-90.8	117.5	178.9	-74.4	-179.1	-7.8	0	0	111.4	P74 L78	P74-Q76 PolarHBondContact O-N 3.15Å; Q76-L78 PolarHBondContact O-N 3.28Å
77	S	61	Low	84.4	Confident	102 Å²	102	79.6 Å²	79.6	71%	0.713	44%	0.443	S	S	*	.			trans	-72.3	123.4	176.4	69.5	0	0	0	0	111.3	G79	S77-G79 PolarHBondContact O-N 3.08Å
78	L	64.1	Low	84.3	Confident	95 Å²	95	80 Å²	80	50%	0.497	44%	0.444	S	S	.	.			trans	-73.1	46.2	171.4	-82.3	170.8	0	0	0	112.5	Q76 T80 R92 F272	Q76-L78 PolarHBondContact O-N 3.28Å; L78-T80 PolarHBondContact O-N 2.94Å; L78-T80 VanDerWaalsContact O-N 3.08Å; L78-R92 VanDerWaalsContact CB-NH2 3.28Å; L78-R92 PolarHBondContact O-NH2 2.7Å; L78-F272 HydrophobicContact CB-CE1 3.87Å; L78-F272 HydrophobicContact CB-CZ 4.27Å; L78-F272 HydrophobicContact CD1-CD1 3.25Å; L78-F272 HydrophobicContact CD1-CE1 3.36Å; L78-F272 HydrophobicContact CD1-CG 4Å; L78-F272 HydrophobicContact CD1-CZ 4.16Å; L78-F272 HydrophobicContact CG-CD1 3.84Å; L78-F272 HydrophobicContact CG-CE1 3.5Å; L78-F272 VanDerWaalsContact CG-CE1 3.5Å; L78-F272 HydrophobicContact CG-CZ 4.35Å
79	G	68.7	Low	84.2	Confident	70 Å²	70	84.6 Å²	84.6	72%	0.722	45%	0.452	S	S	*	.	S	Bend	trans	83.2	-66.7	179.2	0	0	0	0	0	115.3	S77	S77-G79 PolarHBondContact O-N 3.08Å
80	T	73.6	Confident	84.2	Confident	73 Å²	73	85 Å²	85	45%	0.448	45%	0.452	S	S	.	.			trans	-115	126.8	-171.9	60.3	0	0	0	0	113.2	L78 D82 R92	L78-T80 PolarHBondContact O-N 2.94Å; L78-T80 VanDerWaalsContact O-N 3.08Å; T80-D82 PolarHBondContact O-N 3.39Å; T80-D82 PolarHBondContact OG1-O 2.82Å; T80-D82 VanDerWaalsContact OG1-O 3.1Å; T80-R92 PolarHBondContact O-NE 2.82Å; T80-R92 PolarHBondContact O-NH2 3.24Å
81	A	83.8	Confident	84	Confident	77 Å²	77	89.6 Å²	89.6	64%	0.636	47%	0.474	S	S	*	.	S	Bend	trans	-59.1	-22.9	-177.9	0	0	0	0	0	114.2	R92	A81-R92 WeakPolarHBondContact O-CB 3.41Å; A81-R92 WeakPolarHBondContact O-CG 3.41Å; A81-R92 PolarHBondContact O-N 2.99Å
82	D	92.1	Very high	84.1	Confident	51 Å²	51	83.5 Å²	83.5	27%	0.273	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155.9	-171.4	-55.1	-21.3	0	0	0	112.6	T80 R89 R90 K91	T80-D82 PolarHBondContact O-N 3.39Å; T80-D82 PolarHBondContact OG1-O 2.82Å; T80-D82 VanDerWaalsContact OG1-O 3.1Å; D82-R89 HydrophobicContact CB-CB 4.12Å; D82-R90 CarbonylContact C-O 3.49Å; D82-R90 VanDerWaalsContact CA-O 3.29Å; D82-R90 WeakPolarHBondContact CA-O 3.41Å; D82-R90 WeakPolarHBondContact CB-O 3.39Å; D82-K91 WeakPolarHBondContact OD1-CA 3.48Å
83	F	94.3	Very high	84.2	Confident	11 Å²	11	78.3 Å²	78.3	5%	0.048	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.1	156.6	-57.6	-63.7	0	0	0	109.3	F85 R89 R90 R92 T96 M267 H270 S271	F83-F85 HydrophobicContact CB-CD2 4.36Å; F83-F85 HydrophobicContact CB-CE2 3.64Å; F83-F85 HydrophobicContact CB-CZ 4.35Å; F83-R89 WeakPolarHBondContact O-CA 3.43Å; F83-R90 HydrophobicContact CB-CB 4.4Å; F83-R90 HydrophobicContact CD2-CB 4.48Å; F83-R90 HydrophobicContact CD2-CG 4.5Å; F83-R90 PolarHBondContact N-O 3.4Å; F83-R90 PolarHBondContact O-N 3.35Å; F83-R92 HydrophobicContact CD1-CG 4.14Å; F83-R92 HydrophobicContact CD2-CG 3.84Å; F83-R92 HydrophobicContact CE1-CG 3.94Å; F83-R92 HydrophobicContact CE2-CB 4.34Å; F83-R92 HydrophobicContact CE2-CG 3.64Å; F83-R92 HydrophobicContact CG-CG 4.09Å; F83-R92 HydrophobicContact CZ-CB 4.49Å; F83-R92 HydrophobicContact CZ-CG 3.68Å; F83-T96 HydrophobicContact CE2-CG2 4.24Å; F83-T96 HydrophobicContact CZ-CG2 4.39Å; F83-M267 HydrophobicContact CD1-CG 4.14Å; F83-M267 HydrophobicContact CD2-CE 3.95Å; F83-M267 HydrophobicContact CD2-CG 4.2Å; F83-M267 HydrophobicContact CE1-CG 4.04Å; F83-M267 WeakPolarHBondContact CE1-O 3.16Å; F83-M267 HydrophobicContact CE2-CE 3.93Å; F83-M267 HydrophobicContact CE2-CG 4.08Å; F83-M267 HydrophobicContact CG-CG 4.23Å; F83-M267 HydrophobicContact CZ-CG 4.01Å; F83-H270 HydrophobicContact CD1-CB 4.45Å; F83-H270 HydrophobicContact CE1-CB 3.99Å; F83-S271 WeakPolarHBondContact CZ-OG 3.26Å
84	E	94.5	Very high	84.9	Confident	121 Å²	121	73.6 Å²	73.6	57%	0.565	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.8	178.4	-59.3	-160.9	132.9	0	0	111	R89	E84-R89 HydrophobicContact CG-CG 4.46Å; E84-R89 IonicContact OE1-CZ 2.95Å; E84-R89 IonicContact OE1-NE 3.35Å; E84-R89 PolarHBondContact OE1-NE 3.18Å; E84-R89 IonicContact OE1-NH2 3.52Å; E84-R89 PolarHBondContact OE1-NH2 3.21Å
85	F	96.5	Very high	86	Confident	19 Å²	19	70.8 Å²	70.8	8%	0.083	38%	0.378	C	S	.	.			trans	-120.5	163.3	173	-66.7	-84.9	0	0	0	109.9	F83 F87 F88 R90 H202 P228 F230 L263 M267	F83-F85 HydrophobicContact CB-CD2 4.36Å; F83-F85 HydrophobicContact CB-CE2 3.64Å; F83-F85 HydrophobicContact CB-CZ 4.35Å; F85-F87 VanDerWaalsContact C-N 3.25Å; F85-F87 PolarHBondContact O-N 3.27Å; F85-F88 CarbonylContact C-O 3.55Å; F85-F88 WeakPolarHBondContact CA-O 3.31Å; F85-F88 HydrophobicContact CB-CD1 4.47Å; F85-F88 HydrophobicContact CB-CD2 3.98Å; F85-F88 HydrophobicContact CB-CE1 4.27Å; F85-F88 HydrophobicContact CB-CE2 3.79Å; F85-F88 HydrophobicContact CB-CG 4.34Å; F85-F88 HydrophobicContact CB-CZ 3.95Å; F85-F88 WeakPolarHBondContact CB-O 3.46Å; F85-F88 AromaticContact CD2-CD2 3.88Å; F85-F88 HydrophobicContact CD2-CD2 3.88Å; F85-F88 AromaticContact CD2-CE2 3.33Å; F85-F88 HydrophobicContact CD2-CE2 3.33Å; F85-F88 HydrophobicContact CD2-CZ 4.03Å; F85-F88 HydrophobicContact CE2-CE2 4.07Å; F85-F88 HydrophobicContact CG-CD2 4.23Å; F85-F88 AromaticContact CG-CE2 3.64Å; F85-F88 HydrophobicContact CG-CE2 3.64Å; F85-F88 AromaticContact CG-CZ 3.89Å; F85-F88 HydrophobicContact CG-CZ 3.89Å; F85-F88 PolarHBondContact N-O 2.81Å; F85-R90 HydrophobicContact CE2-CB 4.31Å; F85-H202 AromaticContact CD1-NE2 3.8Å; F85-P228 HydrophobicContact CD1-CB 4.07Å; F85-P228 HydrophobicContact CE1-CB 3.63Å; F85-P228 HydrophobicContact CE1-CG 3.84Å; F85-P228 HydrophobicContact CE2-CB 4.42Å; F85-P228 HydrophobicContact CE2-CG 3.99Å; F85-P228 HydrophobicContact CZ-CB 3.85Å; F85-P228 HydrophobicContact CZ-CG 3.5Å; F85-F230 AromaticContact CE1-CZ 4Å; F85-F230 HydrophobicContact CE1-CZ 4Å; F85-L263 HydrophobicContact CD1-CD1 4.41Å; F85-L263 HydrophobicContact CD1-CD2 4.18Å; F85-L263 HydrophobicContact CE1-CB 4.24Å; F85-L263 HydrophobicContact CE1-CD2 4.49Å; F85-M267 HydrophobicContact CZ-SD 3.87Å
86	P	94.9	Very high	87.4	Confident	54 Å²	54	61.1 Å²	61.1	35%	0.351	33%	0.333	S	S	.	.	S	Bend	trans	-56.2	-34.2	-176.5	-28.2	35.6	0	0	0	115.2	K203 L263	P86-K203 HydrophobicContact CB-CD 4.39Å; P86-K203 HydrophobicContact CB-CG 4.22Å; P86-K203 HydrophobicContact CG-CD 4.28Å; P86-K203 HydrophobicContact CG-CG 4.08Å; P86-L263 HydrophobicContact CG-CD1 4.25Å
87	F	95.9	Very high	89.2	Confident	66 Å²	66	53 Å²	53	29%	0.289	30%	0.295	S	S	.	.	S	Bend	trans	-112.2	-14.2	-174.8	-57.5	-52.7	0	0	0	114.4	F85 F197 W199 K203 Y206	F85-F87 VanDerWaalsContact C-N 3.25Å; F85-F87 PolarHBondContact O-N 3.27Å; F87-F197 HydrophobicContact CE1-CE2 4.15Å; F87-F197 AromaticContact CE1-CZ 3.67Å; F87-F197 HydrophobicContact CE1-CZ 3.67Å; F87-F197 HydrophobicContact CZ-CE1 4.14Å; F87-F197 HydrophobicContact CZ-CE2 4.4Å; F87-F197 AromaticContact CZ-CZ 3.49Å; F87-F197 HydrophobicContact CZ-CZ 3.49Å; F87-F197 VanDerWaalsContact CZ-CZ 3.49Å; F87-W199 HydrophobicContact CZ-CZ3 4.23Å; F87-K203 HydrophobicContact CD2-CG 4.45Å; F87-K203 HydrophobicContact CE2-CB 3.58Å; F87-K203 HydrophobicContact CE2-CG 3.72Å; F87-K203 HydrophobicContact CZ-CB 4.05Å; F87-K203 HydrophobicContact CZ-CG 4.12Å; F87-Y206 HydrophobicContact CB-CD1 3.91Å; F87-Y206 HydrophobicContact CB-CE1 3.58Å; F87-Y206 HydrophobicContact CB-CE2 4.43Å; F87-Y206 HydrophobicContact CB-CG 4.47Å; F87-Y206 AromaticContact CD2-CD1 3.24Å; F87-Y206 HydrophobicContact CD2-CD1 3.24Å; F87-Y206 AromaticContact CD2-CE1 3.81Å; F87-Y206 HydrophobicContact CD2-CE1 3.81Å; F87-Y206 AromaticContact CD2-CG 3.75Å; F87-Y206 HydrophobicContact CD2-CG 3.75Å; F87-Y206 AromaticContact CE2-CD1 3.89Å; F87-Y206 HydrophobicContact CE2-CD1 3.89Å; F87-Y206 HydrophobicContact CE2-CG 4.47Å; F87-Y206 AromaticContact CG-CD1 3.8Å; F87-Y206 HydrophobicContact CG-CD1 3.8Å; F87-Y206 AromaticContact CG-CE1 3.86Å; F87-Y206 HydrophobicContact CG-CE1 3.86Å
88	F	97	Very high	91	Very high	25 Å²	25	48.1 Å²	48.1	11%	0.11	26%	0.261	C	S	.	.			trans	-154.4	165.6	-174.9	59	-97.7	0	0	0	111.7	F85 H202 Y206 A226 P228	F85-F88 CarbonylContact C-O 3.55Å; F85-F88 WeakPolarHBondContact CA-O 3.31Å; F85-F88 HydrophobicContact CB-CD1 4.47Å; F85-F88 HydrophobicContact CB-CD2 3.98Å; F85-F88 HydrophobicContact CB-CE1 4.27Å; F85-F88 HydrophobicContact CB-CE2 3.79Å; F85-F88 HydrophobicContact CB-CG 4.34Å; F85-F88 HydrophobicContact CB-CZ 3.95Å; F85-F88 WeakPolarHBondContact CB-O 3.46Å; F85-F88 AromaticContact CD2-CD2 3.88Å; F85-F88 HydrophobicContact CD2-CD2 3.88Å; F85-F88 AromaticContact CD2-CE2 3.33Å; F85-F88 HydrophobicContact CD2-CE2 3.33Å; F85-F88 HydrophobicContact CD2-CZ 4.03Å; F85-F88 HydrophobicContact CE2-CE2 4.07Å; F85-F88 HydrophobicContact CG-CD2 4.23Å; F85-F88 AromaticContact CG-CE2 3.64Å; F85-F88 HydrophobicContact CG-CE2 3.64Å; F85-F88 AromaticContact CG-CZ 3.89Å; F85-F88 HydrophobicContact CG-CZ 3.89Å; F85-F88 PolarHBondContact N-O 2.81Å; F88-H202 AromaticContact CE1-CE1 3.78Å; F88-H202 AromaticContact CE1-NE2 3.95Å; F88-H202 AromaticContact CZ-CE1 3.73Å; F88-Y206 AromaticContact CD1-CD2 3.66Å; F88-Y206 HydrophobicContact CD1-CD2 3.66Å; F88-Y206 AromaticContact CD1-CE2 3.36Å; F88-Y206 HydrophobicContact CD1-CE2 3.36Å; F88-Y206 AromaticContact CE1-CD2 3.46Å; F88-Y206 HydrophobicContact CE1-CD2 3.46Å; F88-Y206 VanDerWaalsContact CE1-CD2 3.46Å; F88-Y206 AromaticContact CE1-CE2 3.67Å; F88-Y206 HydrophobicContact CE1-CE2 3.67Å; F88-Y206 HydrophobicContact CE1-CG 4.36Å; F88-Y206 HydrophobicContact CG-CE2 4.46Å; F88-A226 HydrophobicContact CB-CB 4Å; F88-A226 HydrophobicContact CD2-CB 3.38Å; F88-A226 VanDerWaalsContact CE2-C 3.47Å; F88-A226 HydrophobicContact CE2-CB 3.95Å; F88-A226 VanDerWaalsContact CE2-O 3.31Å; F88-A226 WeakPolarHBondContact CE2-O 3.48Å; F88-A226 HydrophobicContact CG-CB 3.78Å; F88-P228 HydrophobicContact CZ-CB 4.14Å
89	R	95.8	Very high	92.6	Very high	161 Å²	161	43.6 Å²	43.6	61%	0.608	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	143	166.1	-68.7	-173.6	172	106.4	0.8	109.1	D82 F83 E84	D82-R89 HydrophobicContact CB-CB 4.12Å; F83-R89 WeakPolarHBondContact O-CA 3.43Å; E84-R89 HydrophobicContact CG-CG 4.46Å; E84-R89 IonicContact OE1-CZ 2.95Å; E84-R89 IonicContact OE1-NE 3.35Å; E84-R89 PolarHBondContact OE1-NE 3.18Å; E84-R89 IonicContact OE1-NH2 3.52Å; E84-R89 PolarHBondContact OE1-NH2 3.21Å
90	R	94.5	Very high	94.1	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.9	176.3	-178.6	176.4	-171.7	70.9	4.7	110	D82 F83 F85 R92 V123 D124 N225 A226	D82-R90 CarbonylContact C-O 3.49Å; D82-R90 VanDerWaalsContact CA-O 3.29Å; D82-R90 WeakPolarHBondContact CA-O 3.41Å; D82-R90 WeakPolarHBondContact CB-O 3.39Å; F83-R90 HydrophobicContact CB-CB 4.4Å; F83-R90 HydrophobicContact CD2-CB 4.48Å; F83-R90 HydrophobicContact CD2-CG 4.5Å; F83-R90 PolarHBondContact N-O 3.4Å; F83-R90 PolarHBondContact O-N 3.35Å; F85-R90 HydrophobicContact CE2-CB 4.31Å; R90-R92 PolarHBondContact O-N 3.2Å; R90-V123 PolarHBondContact NH2-O 2.72Å; R90-D124 IonicContact CZ-OD1 2.74Å; R90-D124 PolarHBondContact NE-O 2.98Å; R90-D124 IonicContact NE-OD1 3.08Å; R90-D124 PolarHBondContact NE-OD1 2.8Å; R90-D124 IonicContact NH2-OD1 3.61Å; R90-D124 PolarHBondContact NH2-OD1 3.46Å; R90-N225 PolarHBondContact NH1-O 3.01Å; R90-A226 WeakPolarHBondContact CB-O 3.38Å; R90-A226 VanDerWaalsContact CD-O 3.28Å; R90-A226 WeakPolarHBondContact CD-O 3.47Å; R90-A226 WeakPolarHBondContact CG-O 3.48Å; R90-A226 PolarHBondContact NH1-O 3.18Å
91	K	92.4	Very high	95.3	Very high	148 Å²	148	36.9 Å²	36.9	64%	0.643	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	134.5	175.9	-172.4	177.7	179.3	179.3	0	111.3	D82	D82-K91 WeakPolarHBondContact OD1-CA 3.48Å
92	R	91.9	Very high	96	Very high	13 Å²	13	34.4 Å²	34.4	5%	0.049	16%	0.159	C	C	.	.			trans	-73	140	174.2	-61	-164.1	-76.2	176.3	-2.7	110.7	L78 T80 A81 F83 R90 H270 F272	L78-R92 VanDerWaalsContact CB-NH2 3.28Å; L78-R92 PolarHBondContact O-NH2 2.7Å; T80-R92 PolarHBondContact O-NE 2.82Å; T80-R92 PolarHBondContact O-NH2 3.24Å; A81-R92 WeakPolarHBondContact O-CB 3.41Å; A81-R92 WeakPolarHBondContact O-CG 3.41Å; A81-R92 PolarHBondContact O-N 2.99Å; F83-R92 HydrophobicContact CD1-CG 4.14Å; F83-R92 HydrophobicContact CD2-CG 3.84Å; F83-R92 HydrophobicContact CE1-CG 3.94Å; F83-R92 HydrophobicContact CE2-CB 4.34Å; F83-R92 HydrophobicContact CE2-CG 3.64Å; F83-R92 HydrophobicContact CG-CG 4.09Å; F83-R92 HydrophobicContact CZ-CB 4.49Å; F83-R92 HydrophobicContact CZ-CG 3.68Å; R90-R92 PolarHBondContact O-N 3.2Å; R92-H270 PolarHBondContact NH1-O 3.09Å; R92-F272 HydrophobicContact CB-CE2 4.19Å
93	S	92.7	Very high	96.3	Very high	14 Å²	14	33.2 Å²	33.2	10%	0.098	16%	0.155	C	C	.	.			trans	-108.6	171.1	170.5	74	0	0	0	0	110.1	R70 C95 F272	R70-S93 PolarHBondContact NE-OG 2.79Å; R70-S93 PolarHBondContact NH2-OG 2.76Å; S93-C95 PolarHBondContact O-N 3.04Å; S93-C95 VanDerWaalsContact O-N 3.15Å; S93-C95 PolarHBondContact OG-O 2.91Å; S93-F272 WeakPolarHBondContact O-CD2 3.5Å
94	G	95.1	Very high	96.5	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.021	17%	0.173	C	C	.	.	S	Bend	trans	-62.2	-19.6	178.1	0	0	0	0	0	114	A69 R70 Q72 K273	A69-G94 CarbonylContact O-C 3.53Å; A69-G94 VanDerWaalsContact O-C 3.29Å; A69-G94 VanDerWaalsContact O-CA 3.3Å; A69-G94 WeakPolarHBondContact O-CA 3.32Å; R70-G94 PolarHBondContact O-N 3.2Å; Q72-G94 VanDerWaalsContact O-CA 3.29Å; Q72-G94 WeakPolarHBondContact O-CA 3.22Å; G94-K273 WeakPolarHBondContact O-CB 3.3Å; G94-K273 PolarHBondContact O-N 2.7Å
95	C	97.1	Very high	96.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-147	117.8	175.6	-179.4	0	0	0	0	110.5	A69 R70 S93 I97 K273	A69-C95 HydrophobicContact CB-CB 3.71Å; R70-C95 HydrophobicContact CG-CB 3.98Å; R70-C95 VanDerWaalsContact CG-O 3.29Å; R70-C95 WeakPolarHBondContact CG-O 3.25Å; R70-C95 PolarHBondContact NE-O 3.02Å; S93-C95 PolarHBondContact O-N 3.04Å; S93-C95 VanDerWaalsContact O-N 3.15Å; S93-C95 PolarHBondContact OG-O 2.91Å; C95-I97 PolarHBondContact O-N 3.27Å; C95-K273 CarbonylContact C-O 3.49Å; C95-K273 WeakPolarHBondContact CA-O 3.22Å; C95-K273 HydrophobicContact CB-CB 4.02Å
96	T	98.1	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	113.9	177.1	-54.2	0	0	0	0	109.5	F83 F98 D124 M267 S271 K273 T274 G275	F83-T96 HydrophobicContact CE2-CG2 4.24Å; F83-T96 HydrophobicContact CZ-CG2 4.39Å; T96-F98 HydrophobicContact CG2-CD2 4.33Å; T96-F98 HydrophobicContact CG2-CE2 3.7Å; T96-F98 HydrophobicContact CG2-CZ 4Å; T96-D124 WeakPolarHBondContact CA-OD2 3.28Å; T96-D124 HydrophobicContact CG2-CB 3.6Å; T96-M267 HydrophobicContact CG2-CE 3.59Å; T96-M267 HydrophobicContact CG2-CG 4.25Å; T96-S271 WeakPolarHBondContact CB-OG 3.39Å; T96-S271 WeakPolarHBondContact OG1-CB 3.43Å; T96-S271 PolarHBondContact OG1-OG 3.19Å; T96-K273 PolarHBondContact N-O 2.89Å; T96-T274 WeakPolarHBondContact O-CA 3.43Å; T96-G275 PolarHBondContact O-N 2.92Å
97	I	98.8	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.9	179.5	-60.6	-175.2	0	0	0	110.7	M66 R70 C95 V123 D124 C125 G275 I277 F353	M66-I97 HydrophobicContact CB-CD1 3.76Å; M66-I97 HydrophobicContact CB-CG1 4.27Å; M66-I97 HydrophobicContact SD-CD1 4.41Å; R70-I97 HydrophobicContact CG-CD1 4.1Å; R70-I97 HydrophobicContact CG-CG1 4.29Å; C95-I97 PolarHBondContact O-N 3.27Å; I97-V123 HydrophobicContact CG2-CB 4.4Å; I97-V123 HydrophobicContact CG2-CG1 3.95Å; I97-D124 PolarHBondContact N-OD2 2.77Å; I97-D124 PolarHBondContact O-N 2.91Å; I97-C125 PolarHBondContact O-N 2.93Å; I97-C125 VanDerWaalsContact O-N 3.16Å; I97-G275 CarbonylContact C-O 3.6Å; I97-G275 WeakPolarHBondContact CA-O 3.18Å; I97-I277 HydrophobicContact CG2-CD1 4.04Å; I97-I277 HydrophobicContact CG2-CG1 4.35Å; I97-F353 HydrophobicContact CD1-CE1 4.34Å; I97-F353 HydrophobicContact CD1-CZ 4.48Å
98	F	98.9	Very high	97.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121	171.2	-63.8	-100.6	0	0	0	109.4	T96 C125 L264 M267 A268 T274 G275 I277 V288	T96-F98 HydrophobicContact CG2-CD2 4.33Å; T96-F98 HydrophobicContact CG2-CE2 3.7Å; T96-F98 HydrophobicContact CG2-CZ 4Å; F98-C125 HydrophobicContact CD1-CB 3.58Å; F98-C125 HydrophobicContact CE1-CB 3.87Å; F98-C125 HydrophobicContact CG-CB 4.21Å; F98-L264 HydrophobicContact CD1-CD1 4.11Å; F98-L264 HydrophobicContact CE1-CD1 3.75Å; F98-M267 HydrophobicContact CE1-CG 4.49Å; F98-M267 HydrophobicContact CE1-SD 4.42Å; F98-M267 HydrophobicContact CZ-CG 4.19Å; F98-A268 HydrophobicContact CZ-CB 3.96Å; F98-T274 HydrophobicContact CE2-CG2 3.8Å; F98-G275 PolarHBondContact N-O 3.28Å; F98-I277 PolarHBondContact O-N 2.99Å; F98-V288 HydrophobicContact CB-CG1 3.74Å; F98-V288 HydrophobicContact CG-CG1 4.46Å
99	L	98.9	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	111.1	175.7	176.1	61.2	0	0	0	109.6	Y101 I114 L117 V123 C125 L126 V127 I277 F345	L99-Y101 HydrophobicContact CD2-CD1 4.3Å; L99-Y101 HydrophobicContact CD2-CE1 4.34Å; L99-Y101 HydrophobicContact CG-CD1 3.93Å; L99-Y101 HydrophobicContact CG-CE1 4.25Å; L99-I114 HydrophobicContact CD2-CG2 4.24Å; L99-L117 HydrophobicContact CD2-CD1 4.07Å; L99-V123 HydrophobicContact CB-CB 4.33Å; L99-V123 HydrophobicContact CB-CG1 4.12Å; L99-V123 HydrophobicContact CD2-CG1 4.2Å; L99-V123 HydrophobicContact CD2-CG2 4.4Å; L99-C125 PolarHBondContact N-O 3.21Å; L99-L126 HydrophobicContact CB-CD2 3.88Å; L99-L126 HydrophobicContact CD2-CD2 3.99Å; L99-L126 HydrophobicContact CG-CD2 4.24Å; L99-L126 WeakPolarHBondContact O-CA 3.18Å; L99-V127 PolarHBondContact O-N 3.44Å; L99-I277 CarbonylContact C-O 3.32Å; L99-I277 WeakPolarHBondContact CA-O 3.5Å; L99-I277 HydrophobicContact CD1-CB 4.05Å; L99-I277 HydrophobicContact CD1-CG2 3.9Å; L99-F345 HydrophobicContact CD1-CZ 4.35Å
100	G	98.9	Very high	97.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.6	173.5	0	0	0	0	0	111.4	V127 I277 V278 L279	G100-V127 VanDerWaalsContact CA-O 3.3Å; G100-V127 WeakPolarHBondContact CA-O 3.35Å; G100-I277 PolarHBondContact N-O 2.98Å; G100-V278 CarbonylContact O-C 3.6Å; G100-V278 WeakPolarHBondContact O-CA 3.29Å; G100-L279 PolarHBondContact O-N 3.33Å
101	Y	98.9	Very high	97.6	Very high	1 Å²	1	19 Å²	19	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.9	173	50.7	-91.9	0	0	0	113.1	L99 I106 I114 L126 V127 T128 L279 I284	L99-Y101 HydrophobicContact CD2-CD1 4.3Å; L99-Y101 HydrophobicContact CD2-CE1 4.34Å; L99-Y101 HydrophobicContact CG-CD1 3.93Å; L99-Y101 HydrophobicContact CG-CE1 4.25Å; Y101-I106 HydrophobicContact CD2-CD1 4.19Å; Y101-I106 HydrophobicContact CD2-CG1 3.85Å; Y101-I106 HydrophobicContact CE2-CD1 3.69Å; Y101-I106 HydrophobicContact CE2-CG1 3.56Å; Y101-I114 HydrophobicContact CD1-CD1 3.77Å; Y101-I114 HydrophobicContact CD1-CG1 4.44Å; Y101-I114 HydrophobicContact CD1-CG2 4.43Å; Y101-I114 HydrophobicContact CD2-CD1 3.87Å; Y101-I114 HydrophobicContact CE1-CD1 4.12Å; Y101-I114 HydrophobicContact CE1-CG2 3.84Å; Y101-I114 HydrophobicContact CE2-CD1 4.22Å; Y101-I114 HydrophobicContact CG-CD1 3.63Å; Y101-L126 HydrophobicContact CE1-CB 4.36Å; Y101-L126 HydrophobicContact CE1-CD1 4.48Å; Y101-L126 HydrophobicContact CE1-CD2 4.2Å; Y101-V127 PolarHBondContact N-O 3.25Å; Y101-V127 VanDerWaalsContact N-O 3.09Å; Y101-T128 VanDerWaalsContact CD2-OG1 3.31Å; Y101-T128 WeakPolarHBondContact CD2-OG1 3.5Å; Y101-T128 VanDerWaalsContact CE2-CB 3.44Å; Y101-T128 HydrophobicContact CE2-CG2 3.91Å; Y101-T128 VanDerWaalsContact CE2-OG1 3.28Å; Y101-T128 WeakPolarHBondContact CE2-OG1 3.49Å; Y101-T128 WeakPolarHBondContact O-CA 3.3Å; Y101-T128 WeakPolarHBondContact O-CB 3.18Å; Y101-T128 PolarHBondContact O-OG1 2.94Å; Y101-L279 WeakPolarHBondContact CA-O 3.37Å; Y101-I284 WeakPolarHBondContact O-CD1 3.37Å
102	T	98.8	Very high	97.9	Very high	25 Å²	25	15.2 Å²	15.2	15%	0.153	10%	0.096	C	C	.	.			trans	-71.7	156.2	175.7	43.4	0	0	0	0	112.5	N104 M105 L279 I284	T102-N104 WeakPolarHBondContact CB-OD1 3.34Å; T102-N104 PolarHBondContact O-N 3.41Å; T102-N104 PolarHBondContact OG1-OD1 3.36Å; T102-M105 VanDerWaalsContact O-CB 3.31Å; T102-M105 WeakPolarHBondContact O-CB 3.35Å; T102-M105 PolarHBondContact O-N 3.47Å; T102-L279 PolarHBondContact N-O 3.32Å; T102-L279 VanDerWaalsContact N-O 3.13Å; T102-L279 PolarHBondContact OG1-O 3.1Å; T102-L279 VanDerWaalsContact OG1-O 3.13Å; T102-I284 VanDerWaalsContact CA-CD1 3.49Å; T102-I284 HydrophobicContact CG2-CD1 3.93Å
103	S	98.7	Very high	98.2	Very high	27 Å²	27	15.7 Å²	15.7	19%	0.189	10%	0.101	C	C	.	.	H	α-helix	trans	-54	-41.7	-175.5	-65.2	0	0	0	0	112.7	M105 I106 S107 S129 G131 G132	S103-M105 PolarHBondContact O-N 2.86Å; S103-M105 VanDerWaalsContact O-N 3.08Å; S103-I106 WeakPolarHBondContact O-CA 3.43Å; S103-I106 WeakPolarHBondContact O-CB 3.45Å; S103-I106 PolarHBondContact O-N 2.99Å; S103-S107 PolarHBondContact O-N 2.9Å; S103-S107 PolarHBondContact O-OG 2.89Å; S103-S129 PolarHBondContact N-OG 2.62Å; S103-S129 WeakPolarHBondContact OG-CB 3.29Å; S103-S129 PolarHBondContact OG-OG 3.3Å; S103-G131 VanDerWaalsContact OG-C 3.32Å; S103-G131 WeakPolarHBondContact OG-CA 3.47Å; S103-G131 PolarHBondContact OG-N 3.06Å; S103-G132 PolarHBondContact OG-N 3.46Å
104	N	98.7	Very high	98.5	Very high	80 Å²	80	15 Å²	15	43%	0.428	10%	0.097	S	C	.	.	H	α-helix	trans	-61.5	-20.4	-179.3	60.4	-55.1	0	0	0	113.8	T102 I106 S107 S108	T102-N104 WeakPolarHBondContact CB-OD1 3.34Å; T102-N104 PolarHBondContact O-N 3.41Å; T102-N104 PolarHBondContact OG1-OD1 3.36Å; N104-I106 VanDerWaalsContact C-N 3.33Å; N104-S107 WeakPolarHBondContact CA-OG 3.31Å; N104-S107 PolarHBondContact O-N 3.34Å; N104-S108 WeakPolarHBondContact O-CB 3.41Å; N104-S108 PolarHBondContact O-N 3.19Å; N104-S108 PolarHBondContact O-OG 3.47Å
105	M	98.8	Very high	98.7	Very high	7 Å²	7	17.8 Å²	17.8	3%	0.034	11%	0.107	C	C	.	.	H	α-helix	trans	-66.7	-38.2	171.2	-62.7	-60.4	101.5	0	0	111.3	T102 S103 S108 I110 R111 I114 L279 A341 T342	T102-M105 VanDerWaalsContact O-CB 3.31Å; T102-M105 WeakPolarHBondContact O-CB 3.35Å; T102-M105 PolarHBondContact O-N 3.47Å; S103-M105 PolarHBondContact O-N 2.86Å; S103-M105 VanDerWaalsContact O-N 3.08Å; M105-S108 PolarHBondContact O-N 3.25Å; M105-S108 PolarHBondContact O-OG 3.22Å; M105-I110 HydrophobicContact CB-CB 4.38Å; M105-I110 HydrophobicContact CB-CG2 4.07Å; M105-I110 WeakPolarHBondContact O-CB 3.19Å; M105-I110 HydrophobicContact SD-CB 4.42Å; M105-I110 HydrophobicContact SD-CG1 4.36Å; M105-I110 HydrophobicContact SD-CG2 4.25Å; M105-R111 PolarHBondContact O-N 3.28Å; M105-I114 HydrophobicContact CB-CD1 4.31Å; M105-L279 HydrophobicContact CG-CB 4.13Å; M105-L279 HydrophobicContact SD-CB 4.41Å; M105-A341 HydrophobicContact CE-CB 4.32Å; M105-A341 HydrophobicContact SD-CB 3.51Å; M105-A341 VanDerWaalsContact SD-CB 3.51Å; M105-T342 HydrophobicContact CE-CG2 4.44Å
106	I	98.9	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-77.1	-33	175	-63.1	-65.9	0	0	0	111.3	Y101 S103 N104 S108 R111 I114 G132 E135 D136 K139 V218	Y101-I106 HydrophobicContact CD2-CD1 4.19Å; Y101-I106 HydrophobicContact CD2-CG1 3.85Å; Y101-I106 HydrophobicContact CE2-CD1 3.69Å; Y101-I106 HydrophobicContact CE2-CG1 3.56Å; S103-I106 WeakPolarHBondContact O-CA 3.43Å; S103-I106 WeakPolarHBondContact O-CB 3.45Å; S103-I106 PolarHBondContact O-N 2.99Å; N104-I106 VanDerWaalsContact C-N 3.33Å; I106-S108 VanDerWaalsContact C-N 3.26Å; I106-S108 PolarHBondContact O-N 2.89Å; I106-R111 HydrophobicContact CD1-CB 4.3Å; I106-R111 HydrophobicContact CD1-CG 4.23Å; I106-R111 HydrophobicContact CG2-CG 4.48Å; I106-I114 HydrophobicContact CD1-CD1 3.95Å; I106-G132 WeakPolarHBondContact CG1-O 3.38Å; I106-E135 HydrophobicContact CG2-CB 3.87Å; I106-D136 HydrophobicContact CG2-CB 3.8Å; I106-D136 VanDerWaalsContact CG2-N 3.3Å; I106-K139 WeakPolarHBondContact O-CE 3.38Å; I106-K139 PolarHBondContact O-NZ 3.13Å; I106-V218 HydrophobicContact CD1-CG2 4.14Å
107	S	98.8	Very high	98.8	Very high	3 Å²	3	19 Å²	19	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-59.1	-40.7	169.4	-40.3	0	0	0	0	111.6	S103 N104 E135 K139 L167	S103-S107 PolarHBondContact O-N 2.9Å; S103-S107 PolarHBondContact O-OG 2.89Å; N104-S107 WeakPolarHBondContact CA-OG 3.31Å; N104-S107 PolarHBondContact O-N 3.34Å; S107-E135 WeakPolarHBondContact CA-OE2 3.45Å; S107-E135 WeakPolarHBondContact CB-OE2 3.45Å; S107-E135 PolarHBondContact OG-OE1 3.49Å; S107-E135 PolarHBondContact OG-OE2 2.75Å; S107-K139 VanDerWaalsContact C-NZ 3.31Å; S107-K139 WeakPolarHBondContact O-CE 3.42Å; S107-K139 PolarHBondContact O-NZ 2.96Å; S107-L167 VanDerWaalsContact O-CD1 3.31Å; S107-L167 WeakPolarHBondContact O-CD1 3.14Å
108	S	98.8	Very high	98.9	Very high	14 Å²	14	19 Å²	19	10%	0.098	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-179	178.2	83.1	0	0	0	0	113.4	N104 M105 I106 I110 K139	N104-S108 WeakPolarHBondContact O-CB 3.41Å; N104-S108 PolarHBondContact O-N 3.19Å; N104-S108 PolarHBondContact O-OG 3.47Å; M105-S108 PolarHBondContact O-N 3.25Å; M105-S108 PolarHBondContact O-OG 3.22Å; I106-S108 VanDerWaalsContact C-N 3.26Å; I106-S108 PolarHBondContact O-N 2.89Å; S108-I110 PolarHBondContact O-N 3.4Å; S108-I110 VanDerWaalsContact OG-CB 3.32Å; S108-I110 WeakPolarHBondContact OG-CB 3.24Å; S108-I110 WeakPolarHBondContact OG-CG1 3.41Å; S108-I110 PolarHBondContact OG-N 2.63Å; S108-K139 PolarHBondContact O-NZ 3.01Å
109	G	98.8	Very high	98.8	Very high	53 Å²	53	21.5 Å²	21.5	55%	0.546	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	2.3	170.6	0	0	0	0	0	114.4	R111 E112	G109-R111 PolarHBondContact O-N 3.08Å; G109-E112 WeakPolarHBondContact CA-OE2 3.47Å; G109-E112 PolarHBondContact O-N 2.86Å; G109-E112 VanDerWaalsContact O-OE2 3.12Å
110	I	98.9	Very high	98.8	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-68.7	-21.1	171.5	-65.1	-67.1	0	0	0	111.4	M105 S108 E112 S113 I114 L279 T342 F345 P346	M105-I110 HydrophobicContact CB-CB 4.38Å; M105-I110 HydrophobicContact CB-CG2 4.07Å; M105-I110 WeakPolarHBondContact O-CB 3.19Å; M105-I110 HydrophobicContact SD-CB 4.42Å; M105-I110 HydrophobicContact SD-CG1 4.36Å; M105-I110 HydrophobicContact SD-CG2 4.25Å; S108-I110 PolarHBondContact O-N 3.4Å; S108-I110 VanDerWaalsContact OG-CB 3.32Å; S108-I110 WeakPolarHBondContact OG-CB 3.24Å; S108-I110 WeakPolarHBondContact OG-CG1 3.41Å; S108-I110 PolarHBondContact OG-N 2.63Å; I110-E112 PolarHBondContact O-N 3.27Å; I110-S113 WeakPolarHBondContact O-CB 3.38Å; I110-S113 PolarHBondContact O-N 3.39Å; I110-S113 VanDerWaalsContact O-N 3.07Å; I110-I114 HydrophobicContact CG2-CD1 3.84Å; I110-I114 HydrophobicContact CG2-CG1 4.04Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 3.04Å; I110-L279 HydrophobicContact CG2-CD1 4.27Å; I110-T342 HydrophobicContact CG1-CG2 4.01Å; I110-F345 HydrophobicContact CD1-CB 4.2Å; I110-F345 HydrophobicContact CD1-CD1 4.19Å; I110-F345 HydrophobicContact CG2-CD1 3.77Å; I110-F345 HydrophobicContact CG2-CE1 4.21Å; I110-P346 HydrophobicContact CD1-CG 3.49Å; I110-P346 VanDerWaalsContact CD1-CG 3.49Å
111	R	98.9	Very high	98.8	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-46.3	-48.3	168.6	-178.4	-169.7	178.3	-130	12.8	112	M105 I106 G109 S113 I114 R115 D136 C140 E216 V218	M105-R111 PolarHBondContact O-N 3.28Å; I106-R111 HydrophobicContact CD1-CB 4.3Å; I106-R111 HydrophobicContact CD1-CG 4.23Å; I106-R111 HydrophobicContact CG2-CG 4.48Å; G109-R111 PolarHBondContact O-N 3.08Å; R111-S113 VanDerWaalsContact C-N 3.33Å; R111-S113 PolarHBondContact O-N 2.88Å; R111-I114 PolarHBondContact O-N 3.41Å; R111-R115 WeakPolarHBondContact O-CB 3.49Å; R111-R115 PolarHBondContact O-N 3.36Å; R111-D136 IonicContact CZ-OD1 2.95Å; R111-D136 IonicContact NE-OD1 2.71Å; R111-D136 PolarHBondContact NE-OD1 3.46Å; R111-D136 PolarHBondContact NH2-O 3.42Å; R111-D136 IonicContact NH2-OD1 3.27Å; R111-D136 PolarHBondContact NH2-OD1 2.91Å; R111-C140 PolarHBondContact NH2-SG 3.28Å; R111-E216 PolarHBondContact NH1-O 2.95Å; R111-E216 PolarHBondContact NH2-O 3.22Å; R111-V218 HydrophobicContact CG-CG2 4.05Å
112	E	98.9	Very high	98.7	Very high	69 Å²	69	29.6 Å²	29.6	32%	0.322	16%	0.162	S	C	.	.	H	α-helix	trans	-67.6	-34.3	-176.9	-73.9	63.3	-139.2	0	0	112.3	G109 I110 F116	G109-E112 WeakPolarHBondContact CA-OE2 3.47Å; G109-E112 PolarHBondContact O-N 2.86Å; G109-E112 VanDerWaalsContact O-OE2 3.12Å; I110-E112 PolarHBondContact O-N 3.27Å; E112-F116 PolarHBondContact O-N 3.09Å
113	S	98.9	Very high	98.7	Very high	24 Å²	24	28.4 Å²	28.4	17%	0.168	16%	0.155	C	C	.	.	H	α-helix	trans	-66.8	-44.7	172.4	-62.5	0	0	0	0	111.5	I110 R111 F116 L117	I110-S113 WeakPolarHBondContact O-CB 3.38Å; I110-S113 PolarHBondContact O-N 3.39Å; I110-S113 VanDerWaalsContact O-N 3.07Å; R111-S113 VanDerWaalsContact C-N 3.33Å; R111-S113 PolarHBondContact O-N 2.88Å; S113-F116 WeakPolarHBondContact O-CB 3.31Å; S113-F116 PolarHBondContact O-N 3.29Å; S113-L117 WeakPolarHBondContact O-CG 3.5Å; S113-L117 PolarHBondContact O-N 3.35Å
114	I	98.9	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-46.1	176.2	-66	166.9	0	0	0	110	L99 Y101 M105 I106 I110 R111 F116 L117 V118 V218 F345	L99-I114 HydrophobicContact CD2-CG2 4.24Å; Y101-I114 HydrophobicContact CD1-CD1 3.77Å; Y101-I114 HydrophobicContact CD1-CG1 4.44Å; Y101-I114 HydrophobicContact CD1-CG2 4.43Å; Y101-I114 HydrophobicContact CD2-CD1 3.87Å; Y101-I114 HydrophobicContact CE1-CD1 4.12Å; Y101-I114 HydrophobicContact CE1-CG2 3.84Å; Y101-I114 HydrophobicContact CE2-CD1 4.22Å; Y101-I114 HydrophobicContact CG-CD1 3.63Å; M105-I114 HydrophobicContact CB-CD1 4.31Å; I106-I114 HydrophobicContact CD1-CD1 3.95Å; I110-I114 HydrophobicContact CG2-CD1 3.84Å; I110-I114 HydrophobicContact CG2-CG1 4.04Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 3.04Å; R111-I114 PolarHBondContact O-N 3.41Å; I114-F116 VanDerWaalsContact C-N 3.29Å; I114-F116 PolarHBondContact O-N 2.99Å; I114-L117 WeakPolarHBondContact O-CB 3.31Å; I114-L117 PolarHBondContact O-N 3.15Å; I114-V118 HydrophobicContact CG2-CG2 4.24Å; I114-V118 WeakPolarHBondContact O-CG2 3.29Å; I114-V118 PolarHBondContact O-N 3.47Å; I114-V218 HydrophobicContact CB-CG2 4.37Å; I114-V218 HydrophobicContact CG2-CG1 3.79Å; I114-V218 HydrophobicContact CG2-CG2 4.04Å; I114-F345 HydrophobicContact CG1-CE1 4.13Å
115	R	98.9	Very high	98.7	Very high	60 Å²	60	23.3 Å²	23.3	23%	0.226	13%	0.125	C	C	.	.	H	α-helix	trans	-55.2	-45.9	176.5	-174.3	-147.1	62.5	-154	-14.3	110.7	R111 L117 V118 E119 K215 E216 V218	R111-R115 WeakPolarHBondContact O-CB 3.49Å; R111-R115 PolarHBondContact O-N 3.36Å; R115-L117 VanDerWaalsContact C-N 3.33Å; R115-L117 PolarHBondContact O-N 2.87Å; R115-V118 PolarHBondContact O-N 3.13Å; R115-E119 IonicContact NE-OE2 2.72Å; R115-E119 WeakPolarHBondContact O-CB 3.32Å; R115-E119 PolarHBondContact O-N 3.49Å; R115-K215 WeakPolarHBondContact CD-O 3.45Å; R115-E216 WeakPolarHBondContact CD-O 3.3Å; R115-V218 HydrophobicContact CB-CG2 3.85Å
116	F	98.9	Very high	98.7	Very high	26 Å²	26	23 Å²	23	11%	0.114	12%	0.124	C	C	.	.	H	α-helix	trans	-56.3	-44.1	175.6	167.9	-92.9	0	0	0	112.7	E112 S113 I114 H120 L122 V349 Y354 W357	E112-F116 PolarHBondContact O-N 3.09Å; S113-F116 WeakPolarHBondContact O-CB 3.31Å; S113-F116 PolarHBondContact O-N 3.29Å; I114-F116 VanDerWaalsContact C-N 3.29Å; I114-F116 PolarHBondContact O-N 2.99Å; F116-H120 AromaticContact CD2-CD2 3.38Å; F116-H120 WeakPolarHBondContact CD2-CD2 3.34Å; F116-H120 AromaticContact CD2-NE2 3.67Å; F116-H120 AromaticContact CE2-CD2 3.27Å; F116-H120 WeakPolarHBondContact CE2-CD2 3.29Å; F116-H120 AromaticContact CE2-NE2 3.66Å; F116-H120 AromaticContact CZ-CD2 3.91Å; F116-H120 PolarHBondContact O-CD2 3.18Å; F116-H120 VanDerWaalsContact O-CD2 3.29Å; F116-H120 PolarHBondContact O-N 3.39Å; F116-L122 HydrophobicContact CD1-CD1 4.46Å; F116-L122 HydrophobicContact CE1-CD1 3.78Å; F116-L122 HydrophobicContact CZ-CD1 4.26Å; F116-V349 HydrophobicContact CD1-CG1 4.14Å; F116-V349 HydrophobicContact CE1-CG1 4.22Å; F116-Y354 HydrophobicContact CE1-CD2 4.47Å; F116-Y354 HydrophobicContact CE2-CD2 4.11Å; F116-Y354 AromaticContact CZ-CD2 3.76Å; F116-Y354 HydrophobicContact CZ-CD2 3.76Å; F116-W357 HydrophobicContact CE2-CD2 4.07Å; F116-W357 HydrophobicContact CE2-CE3 4.21Å; F116-W357 HydrophobicContact CE2-CG 4.48Å; F116-W357 HydrophobicContact CE2-CH2 4.42Å; F116-W357 HydrophobicContact CE2-CZ2 4.23Å; F116-W357 HydrophobicContact CE2-CZ3 4.42Å; F116-W357 HydrophobicContact CZ-CB 4.21Å; F116-W357 AromaticContact CZ-CD2 3.96Å; F116-W357 HydrophobicContact CZ-CD2 3.96Å; F116-W357 HydrophobicContact CZ-CE3 4.15Å; F116-W357 HydrophobicContact CZ-CG 4.02Å
117	L	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.5	-41.2	178.5	-61.7	-177.6	0	0	0	112.2	L99 S113 I114 R115 E121 L122 V123 F345 V349 F353	L99-L117 HydrophobicContact CD2-CD1 4.07Å; S113-L117 WeakPolarHBondContact O-CG 3.5Å; S113-L117 PolarHBondContact O-N 3.35Å; I114-L117 WeakPolarHBondContact O-CB 3.31Å; I114-L117 PolarHBondContact O-N 3.15Å; R115-L117 VanDerWaalsContact C-N 3.33Å; R115-L117 PolarHBondContact O-N 2.87Å; L117-E121 PolarHBondContact O-N 2.6Å; L117-L122 HydrophobicContact CB-CB 4.43Å; L117-L122 HydrophobicContact CD2-CB 4.22Å; L117-L122 HydrophobicContact CD2-CD1 3.91Å; L117-L122 WeakPolarHBondContact O-CB 3.36Å; L117-L122 PolarHBondContact O-N 2.78Å; L117-V123 HydrophobicContact CB-CG1 4.29Å; L117-V123 HydrophobicContact CB-CG2 4.39Å; L117-V123 HydrophobicContact CD1-CG1 4.33Å; L117-F345 HydrophobicContact CD1-CE1 4.31Å; L117-F345 HydrophobicContact CD1-CZ 3.63Å; L117-V349 HydrophobicContact CD1-CG2 4.36Å; L117-V349 HydrophobicContact CD2-CG1 4.37Å; L117-V349 HydrophobicContact CD2-CG2 4.4Å; L117-F353 HydrophobicContact CD1-CD2 4.21Å; L117-F353 HydrophobicContact CD1-CE2 4.11Å; L117-F353 HydrophobicContact CD2-CB 3.53Å; L117-F353 HydrophobicContact CD2-CD1 3.86Å; L117-F353 HydrophobicContact CD2-CD2 3.56Å; L117-F353 HydrophobicContact CD2-CE1 4.43Å; L117-F353 HydrophobicContact CD2-CE2 4.16Å; L117-F353 HydrophobicContact CD2-CG 3.37Å
118	V	98.9	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-74.5	-44.7	-177.6	178	0	0	0	0	111.3	I114 R115 H120 E121 V123 L126 V218 W221 A222 N225 I227	I114-V118 HydrophobicContact CG2-CG2 4.24Å; I114-V118 WeakPolarHBondContact O-CG2 3.29Å; I114-V118 PolarHBondContact O-N 3.47Å; R115-V118 PolarHBondContact O-N 3.13Å; V118-H120 PolarHBondContact O-N 3.4Å; V118-E121 PolarHBondContact O-N 2.77Å; V118-V123 HydrophobicContact CG2-CG2 4.01Å; V118-L126 HydrophobicContact CG2-CD1 3.65Å; V118-L126 HydrophobicContact CG2-CD2 3.96Å; V118-L126 HydrophobicContact CG2-CG 4.33Å; V118-V218 HydrophobicContact CB-CG1 4.47Å; V118-V218 HydrophobicContact CG2-CG1 4.02Å; V118-W221 HydrophobicContact CB-CB 4.49Å; V118-W221 HydrophobicContact CG1-CB 3.85Å; V118-A222 HydrophobicContact CG1-CB 3.88Å; V118-N225 PolarHBondContact O-ND2 3.48Å; V118-I227 HydrophobicContact CB-CD1 4.34Å; V118-I227 HydrophobicContact CG1-CD1 3.72Å; V118-I227 WeakPolarHBondContact O-CD1 3.26Å
119	E	98.8	Very high	98.7	Very high	52 Å²	52	23.7 Å²	23.7	24%	0.243	13%	0.128	C	C	.	.	H	α-helix	trans	-55.8	-33	176.1	176.2	175.3	175.7	0	0	112.3	R115 W221 N225	R115-E119 IonicContact NE-OE2 2.72Å; R115-E119 WeakPolarHBondContact O-CB 3.32Å; R115-E119 PolarHBondContact O-N 3.49Å; E119-W221 HydrophobicContact CB-CB 4.32Å; E119-W221 HydrophobicContact CB-CD2 3.75Å; E119-W221 HydrophobicContact CB-CE3 4.28Å; E119-W221 HydrophobicContact CB-CG 3.74Å; E119-W221 HydrophobicContact CG-CD2 3.64Å; E119-W221 VanDerWaalsContact CG-CE2 3.48Å; E119-W221 HydrophobicContact CG-CE3 3.94Å; E119-W221 HydrophobicContact CG-CG 4.17Å; E119-W221 HydrophobicContact CG-CH2 3.94Å; E119-W221 HydrophobicContact CG-CZ2 3.66Å; E119-W221 HydrophobicContact CG-CZ3 4.07Å; E119-W221 WeakPolarHBondContact OE1-CZ2 3.27Å; E119-N225 VanDerWaalsContact C-ND2 3.31Å; E119-N225 PolarHBondContact O-ND2 3.19Å
120	H	98.4	Very high	98.7	Very high	47 Å²	47	21.2 Å²	21.2	22%	0.218	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	18.3	-177.4	-61.1	-39.3	0	0	0	114.3	F116 V118 L122 W357	F116-H120 AromaticContact CD2-CD2 3.38Å; F116-H120 WeakPolarHBondContact CD2-CD2 3.34Å; F116-H120 AromaticContact CD2-NE2 3.67Å; F116-H120 AromaticContact CE2-CD2 3.27Å; F116-H120 WeakPolarHBondContact CE2-CD2 3.29Å; F116-H120 AromaticContact CE2-NE2 3.66Å; F116-H120 AromaticContact CZ-CD2 3.91Å; F116-H120 PolarHBondContact O-CD2 3.18Å; F116-H120 VanDerWaalsContact O-CD2 3.29Å; F116-H120 PolarHBondContact O-N 3.39Å; V118-H120 PolarHBondContact O-N 3.4Å; H120-L122 HydrophobicContact CB-CD1 4.2Å; H120-L122 HydrophobicContact CB-CG 3.98Å; H120-L122 WeakPolarHBondContact O-CD2 3.43Å; H120-L122 WeakPolarHBondContact O-CG 3.32Å; H120-L122 PolarHBondContact O-N 3.22Å; H120-L122 VanDerWaalsContact O-N 3.13Å; H120-W357 AromaticContact CD2-CD1 3.84Å; H120-W357 AromaticContact CD2-CE2 3.67Å; H120-W357 AromaticContact CD2-CZ2 3.99Å; H120-W357 AromaticContact CD2-NE1 3.23Å; H120-W357 PolarHBondContact CD2-NE1 3.47Å; H120-W357 AromaticContact CE1-CZ2 3.99Å; H120-W357 AromaticContact CE1-NE1 3.74Å; H120-W357 AromaticContact CG-CD1 3.69Å; H120-W357 AromaticContact CG-NE1 3.18Å; H120-W357 AromaticContact ND1-NE1 3.51Å; H120-W357 AromaticContact NE2-CE2 3.67Å; H120-W357 AromaticContact NE2-CZ2 3.49Å; H120-W357 WeakPolarHBondContact NE2-CZ2 2.97Å; H120-W357 AromaticContact NE2-NE1 3.53Å
121	E	97.8	Very high	98.7	Very high	100 Å²	100	21.3 Å²	21.3	47%	0.467	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	32.3	173.2	-60.3	-179.4	74.9	0	0	113.9	R70 L117 V118 V123 N225	R70-E121 PolarHBondContact NH1-O 2.72Å; L117-E121 PolarHBondContact O-N 2.6Å; V118-E121 PolarHBondContact O-N 2.77Å; E121-V123 VanDerWaalsContact C-N 3.33Å; E121-N225 HydrophobicContact CG-CB 3.81Å
122	L	98.1	Very high	98.7	Very high	24 Å²	24	21 Å²	21	13%	0.126	10%	0.104	C	C	.	.			trans	-84.7	-11.4	-177.3	-57.8	-178.9	0	0	0	112.8	F116 L117 H120 F353 W357	F116-L122 HydrophobicContact CD1-CD1 4.46Å; F116-L122 HydrophobicContact CE1-CD1 3.78Å; F116-L122 HydrophobicContact CZ-CD1 4.26Å; L117-L122 HydrophobicContact CB-CB 4.43Å; L117-L122 HydrophobicContact CD2-CB 4.22Å; L117-L122 HydrophobicContact CD2-CD1 3.91Å; L117-L122 WeakPolarHBondContact O-CB 3.36Å; L117-L122 PolarHBondContact O-N 2.78Å; H120-L122 HydrophobicContact CB-CD1 4.2Å; H120-L122 HydrophobicContact CB-CG 3.98Å; H120-L122 WeakPolarHBondContact O-CD2 3.43Å; H120-L122 WeakPolarHBondContact O-CG 3.32Å; H120-L122 PolarHBondContact O-N 3.22Å; H120-L122 VanDerWaalsContact O-N 3.13Å; L122-F353 HydrophobicContact CB-CD1 3.79Å; L122-F353 HydrophobicContact CB-CE1 4.09Å; L122-F353 HydrophobicContact CD1-CB 4.02Å; L122-F353 HydrophobicContact CD1-CD1 4.14Å; L122-F353 HydrophobicContact CD1-CG 4.46Å; L122-F353 HydrophobicContact CG-CD1 4.47Å; L122-F353 WeakPolarHBondContact O-CE1 3.33Å; L122-W357 HydrophobicContact CD1-CB 4.27Å
123	V	98.7	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.			trans	-130.6	160.7	174.2	-62.9	0	0	0	0	110	R90 I97 L99 L117 V118 E121 L126 F353	R90-V123 PolarHBondContact NH2-O 2.72Å; I97-V123 HydrophobicContact CG2-CB 4.4Å; I97-V123 HydrophobicContact CG2-CG1 3.95Å; L99-V123 HydrophobicContact CB-CB 4.33Å; L99-V123 HydrophobicContact CB-CG1 4.12Å; L99-V123 HydrophobicContact CD2-CG1 4.2Å; L99-V123 HydrophobicContact CD2-CG2 4.4Å; L117-V123 HydrophobicContact CB-CG1 4.29Å; L117-V123 HydrophobicContact CB-CG2 4.39Å; L117-V123 HydrophobicContact CD1-CG1 4.33Å; V118-V123 HydrophobicContact CG2-CG2 4.01Å; E121-V123 VanDerWaalsContact C-N 3.33Å; V123-L126 HydrophobicContact CG2-CD2 3.8Å; V123-F353 HydrophobicContact CG1-CZ 4.43Å
124	D	98.6	Very high	98.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-113.3	-28.3	-171.2	-66.4	-66.9	0	0	0	114.5	R70 R90 T96 I97 P228 M267	R70-D124 IonicContact CZ-OD1 3.81Å; R70-D124 IonicContact CZ-OD2 3.42Å; R70-D124 IonicContact NE-OD2 3.06Å; R70-D124 PolarHBondContact NE-OD2 3.32Å; R70-D124 IonicContact NH2-OD1 2.7Å; R70-D124 PolarHBondContact NH2-OD1 2.88Å; R70-D124 IonicContact NH2-OD2 2.99Å; R70-D124 PolarHBondContact NH2-OD2 3.03Å; R90-D124 IonicContact CZ-OD1 2.74Å; R90-D124 PolarHBondContact NE-O 2.98Å; R90-D124 IonicContact NE-OD1 3.08Å; R90-D124 PolarHBondContact NE-OD1 2.8Å; R90-D124 IonicContact NH2-OD1 3.61Å; R90-D124 PolarHBondContact NH2-OD1 3.46Å; T96-D124 WeakPolarHBondContact CA-OD2 3.28Å; T96-D124 HydrophobicContact CG2-CB 3.6Å; I97-D124 PolarHBondContact N-OD2 2.77Å; I97-D124 PolarHBondContact O-N 2.91Å; D124-P228 WeakPolarHBondContact O-CD 3.34Å; D124-M267 HydrophobicContact CB-CE 3.86Å; D124-M267 VanDerWaalsContact O-CE 3.24Å; D124-M267 WeakPolarHBondContact O-CE 3.1Å
125	C	98.8	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	136.2	-177.4	178.6	0	0	0	0	109.3	I97 F98 L99 P228 M267	I97-C125 PolarHBondContact O-N 2.93Å; I97-C125 VanDerWaalsContact O-N 3.16Å; F98-C125 HydrophobicContact CD1-CB 3.58Å; F98-C125 HydrophobicContact CE1-CB 3.87Å; F98-C125 HydrophobicContact CG-CB 4.21Å; L99-C125 PolarHBondContact N-O 3.21Å; C125-P228 HydrophobicContact CB-CG 4.44Å; C125-M267 HydrophobicContact CB-CE 3.87Å; C125-M267 HydrophobicContact CB-SD 3.76Å
126	L	98.9	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.6	173.3	-53.1	-175.7	0	0	0	110.1	L99 Y101 V118 V123 V218 A222 I227 P228 V229 F230	L99-L126 HydrophobicContact CB-CD2 3.88Å; L99-L126 HydrophobicContact CD2-CD2 3.99Å; L99-L126 HydrophobicContact CG-CD2 4.24Å; L99-L126 WeakPolarHBondContact O-CA 3.18Å; Y101-L126 HydrophobicContact CE1-CB 4.36Å; Y101-L126 HydrophobicContact CE1-CD1 4.48Å; Y101-L126 HydrophobicContact CE1-CD2 4.2Å; V118-L126 HydrophobicContact CG2-CD1 3.65Å; V118-L126 HydrophobicContact CG2-CD2 3.96Å; V118-L126 HydrophobicContact CG2-CG 4.33Å; V123-L126 HydrophobicContact CG2-CD2 3.8Å; L126-V218 HydrophobicContact CD1-CG1 3.91Å; L126-A222 HydrophobicContact CD1-CB 4.4Å; L126-I227 HydrophobicContact CD1-CG2 4.43Å; L126-I227 HydrophobicContact CD2-CG2 4.48Å; L126-I227 HydrophobicContact CG-CG2 3.88Å; L126-P228 PolarHBondContact N-O 3.41Å; L126-V229 HydrophobicContact CB-CB 4.37Å; L126-V229 HydrophobicContact CB-CG1 4.09Å; L126-V229 HydrophobicContact CB-CG2 4.12Å; L126-V229 HydrophobicContact CD1-CG2 3.96Å; L126-V229 HydrophobicContact CG-CG2 4.36Å; L126-V229 WeakPolarHBondContact O-CA 3.24Å; L126-F230 PolarHBondContact O-N 2.61Å
127	V	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.4	167.8	-174.6	0	0	0	0	108.6	L99 G100 Y101 F230 L264 I284 H287 V288	L99-V127 PolarHBondContact O-N 3.44Å; G100-V127 VanDerWaalsContact CA-O 3.3Å; G100-V127 WeakPolarHBondContact CA-O 3.35Å; Y101-V127 PolarHBondContact N-O 3.25Å; Y101-V127 VanDerWaalsContact N-O 3.09Å; V127-F230 WeakPolarHBondContact CA-O 3.29Å; V127-F230 HydrophobicContact CG2-CB 4.34Å; V127-L264 HydrophobicContact CG2-CD1 4.39Å; V127-I284 HydrophobicContact CB-CG2 4.36Å; V127-I284 HydrophobicContact CG1-CG2 4.2Å; V127-I284 VanDerWaalsContact O-CG2 3.24Å; V127-I284 WeakPolarHBondContact O-CG2 2.9Å; V127-H287 HydrophobicContact CG1-CB 4.22Å; V127-V288 HydrophobicContact CB-CG2 3.59Å; V127-V288 HydrophobicContact CG1-CG2 4.18Å; V127-V288 HydrophobicContact CG2-CG2 3.5Å; V127-V288 VanDerWaalsContact CG2-CG2 3.5Å
128	T	98.9	Very high	98.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.071	C	C	.	.			trans	-144.7	-174	177.4	-164.7	0	0	0	0	111.6	Y101 I133 V229 F230 C231	Y101-T128 VanDerWaalsContact CD2-OG1 3.31Å; Y101-T128 WeakPolarHBondContact CD2-OG1 3.5Å; Y101-T128 VanDerWaalsContact CE2-CB 3.44Å; Y101-T128 HydrophobicContact CE2-CG2 3.91Å; Y101-T128 VanDerWaalsContact CE2-OG1 3.28Å; Y101-T128 WeakPolarHBondContact CE2-OG1 3.49Å; Y101-T128 WeakPolarHBondContact O-CA 3.3Å; Y101-T128 WeakPolarHBondContact O-CB 3.18Å; Y101-T128 PolarHBondContact O-OG1 2.94Å; T128-I133 HydrophobicContact CG2-CD1 3.34Å; T128-I133 HydrophobicContact CG2-CG1 3.95Å; T128-V229 HydrophobicContact CG2-CG1 4.42Å; T128-F230 PolarHBondContact N-O 3.35Å; T128-C231 WeakPolarHBondContact O-CA 3.38Å
129	S	98.5	Very high	98.7	Very high	30 Å²	30	15.3 Å²	15.3	21%	0.21	8%	0.077	C	C	.	.			trans	-106.8	167.9	178.7	37.4	0	0	0	0	109.2	S103 G131 G132 I133 I284	S103-S129 PolarHBondContact N-OG 2.62Å; S103-S129 WeakPolarHBondContact OG-CB 3.29Å; S103-S129 PolarHBondContact OG-OG 3.3Å; S129-G131 VanDerWaalsContact C-N 3.29Å; S129-G131 PolarHBondContact O-N 2.74Å; S129-G132 WeakPolarHBondContact O-CA 3.44Å; S129-G132 PolarHBondContact O-N 2.94Å; S129-I133 PolarHBondContact O-N 3.04Å; S129-I284 WeakPolarHBondContact OG-CD1 3.1Å
130	A	98.7	Very high	98.7	Very high	1 Å²	1	14 Å²	14	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-55.4	-43.8	-176.2	0	0	0	0	0	112.6	G132 I133 E134 C231 L234 D236	A130-G132 PolarHBondContact O-N 2.98Å; A130-I133 WeakPolarHBondContact O-CA 3.37Å; A130-I133 WeakPolarHBondContact O-CB 3.09Å; A130-I133 PolarHBondContact O-N 2.56Å; A130-E134 WeakPolarHBondContact O-CG 3.13Å; A130-E134 PolarHBondContact O-N 3.44Å; A130-C231 PolarHBondContact N-SG 3.4Å; A130-L234 WeakPolarHBondContact CB-O 3.48Å; A130-D236 WeakPolarHBondContact CB-O 3.49Å
131	G	98.5	Very high	98.7	Very high	7 Å²	7	14.6 Å²	14.6	7%	0.072	8%	0.078	C	C	.	.	H	α-helix	trans	-55.1	-35.4	172.9	0	0	0	0	0	113.6	S103 S129 I133 E135	S103-G131 VanDerWaalsContact OG-C 3.32Å; S103-G131 WeakPolarHBondContact OG-CA 3.47Å; S103-G131 PolarHBondContact OG-N 3.06Å; S129-G131 VanDerWaalsContact C-N 3.29Å; S129-G131 PolarHBondContact O-N 2.74Å; G131-I133 VanDerWaalsContact C-N 3.28Å; G131-I133 PolarHBondContact O-N 3Å; G131-E135 WeakPolarHBondContact O-CB 3.4Å; G131-E135 VanDerWaalsContact O-CG 3.28Å; G131-E135 WeakPolarHBondContact O-CG 3.42Å; G131-E135 PolarHBondContact O-N 3.41Å
132	G	98.7	Very high	98.7	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-71.5	-20.2	175.5	0	0	0	0	0	114.1	S103 I106 S129 A130	S103-G132 PolarHBondContact OG-N 3.46Å; I106-G132 WeakPolarHBondContact CG1-O 3.38Å; S129-G132 WeakPolarHBondContact O-CA 3.44Å; S129-G132 PolarHBondContact O-N 2.94Å; A130-G132 PolarHBondContact O-N 2.98Å
133	I	98.9	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-85.3	-57.6	172.6	-56.2	-55.8	0	0	0	109.6	T128 S129 A130 G131 E135 D136 L137 I205 L219 V229 C231 L234 L239	T128-I133 HydrophobicContact CG2-CD1 3.34Å; T128-I133 HydrophobicContact CG2-CG1 3.95Å; S129-I133 PolarHBondContact O-N 3.04Å; A130-I133 WeakPolarHBondContact O-CA 3.37Å; A130-I133 WeakPolarHBondContact O-CB 3.09Å; A130-I133 PolarHBondContact O-N 2.56Å; G131-I133 VanDerWaalsContact C-N 3.28Å; G131-I133 PolarHBondContact O-N 3Å; I133-E135 PolarHBondContact O-N 2.95Å; I133-D136 PolarHBondContact O-N 2.96Å; I133-L137 HydrophobicContact CG2-CD1 4.28Å; I133-L137 WeakPolarHBondContact O-CG 3.3Å; I133-L137 PolarHBondContact O-N 3.01Å; I133-I205 HydrophobicContact CD1-CD1 3.76Å; I133-I205 HydrophobicContact CD1-CG1 4.09Å; I133-I205 HydrophobicContact CD1-CG2 4Å; I133-I205 HydrophobicContact CG1-CD1 3.94Å; I133-I205 HydrophobicContact CG1-CG1 4.18Å; I133-I205 HydrophobicContact CG2-CG1 3.97Å; I133-I205 HydrophobicContact CG2-CG2 4.45Å; I133-L219 HydrophobicContact CB-CD1 4.44Å; I133-L219 HydrophobicContact CD1-CD1 4.5Å; I133-L219 HydrophobicContact CD1-CD2 4Å; I133-L219 HydrophobicContact CG2-CD1 3.69Å; I133-V229 HydrophobicContact CD1-CG1 3.66Å; I133-C231 HydrophobicContact CG1-CB 4.2Å; I133-L234 HydrophobicContact CB-CD1 4.37Å; I133-L234 HydrophobicContact CG1-CD1 4.04Å; I133-L234 HydrophobicContact CG2-CD1 4.39Å; I133-L239 HydrophobicContact CG2-CD2 4.46Å
134	E	98.6	Very high	98.7	Very high	10 Å²	10	14.1 Å²	14.1	5%	0.047	9%	0.086	C	C	.	.	H	α-helix	trans	-67.8	-37.5	-171.7	68.3	-162.5	-142.1	0	0	112.5	A130 D136 L137 I138 F177 S238 L239	A130-E134 WeakPolarHBondContact O-CG 3.13Å; A130-E134 PolarHBondContact O-N 3.44Å; E134-D136 VanDerWaalsContact C-N 3.3Å; E134-D136 PolarHBondContact O-N 3.27Å; E134-L137 PolarHBondContact O-N 3.47Å; E134-I138 HydrophobicContact CB-CD1 4.22Å; E134-I138 HydrophobicContact CG-CD1 4.32Å; E134-I138 VanDerWaalsContact O-CB 3.3Å; E134-I138 WeakPolarHBondContact O-CB 3.47Å; E134-I138 WeakPolarHBondContact O-CD1 3.39Å; E134-I138 WeakPolarHBondContact O-CG1 3.48Å; E134-I138 PolarHBondContact O-N 3.27Å; E134-F177 HydrophobicContact CB-CE1 4.11Å; E134-F177 HydrophobicContact CB-CZ 3.99Å; E134-S238 VanDerWaalsContact OE1-CB 3.25Å; E134-S238 WeakPolarHBondContact OE1-CB 3.27Å; E134-S238 PolarHBondContact OE1-N 3.48Å; E134-S238 WeakPolarHBondContact OE2-CA 3.31Å; E134-S238 PolarHBondContact OE2-N 2.7Å; E134-L239 HydrophobicContact CB-CB 4.49Å; E134-L239 PolarHBondContact OE2-N 2.91Å
135	E	98.8	Very high	98.7	Very high	14 Å²	14	20.2 Å²	20.2	7%	0.065	11%	0.11	C	C	.	.	H	α-helix	trans	-71.2	-26.4	-179.2	-67.8	-170.3	-128.9	0	0	112.8	I106 S107 G131 I133 K139 I164	I106-E135 HydrophobicContact CG2-CB 3.87Å; S107-E135 WeakPolarHBondContact CA-OE2 3.45Å; S107-E135 WeakPolarHBondContact CB-OE2 3.45Å; S107-E135 PolarHBondContact OG-OE1 3.49Å; S107-E135 PolarHBondContact OG-OE2 2.75Å; G131-E135 WeakPolarHBondContact O-CB 3.4Å; G131-E135 VanDerWaalsContact O-CG 3.28Å; G131-E135 WeakPolarHBondContact O-CG 3.42Å; G131-E135 PolarHBondContact O-N 3.41Å; I133-E135 PolarHBondContact O-N 2.95Å; E135-K139 VanDerWaalsContact O-CB 3.32Å; E135-K139 WeakPolarHBondContact O-CB 3.31Å; E135-K139 VanDerWaalsContact O-CG 3.26Å; E135-K139 WeakPolarHBondContact O-CG 3.32Å; E135-K139 PolarHBondContact O-N 2.93Å; E135-I164 WeakPolarHBondContact OE1-CD1 3.46Å; E135-I164 WeakPolarHBondContact OE2-CD1 3.36Å
136	D	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-43	172.3	-179.3	60.4	0	0	0	111.2	I106 R111 I133 E134 S217 V218 L219	I106-D136 HydrophobicContact CG2-CB 3.8Å; I106-D136 VanDerWaalsContact CG2-N 3.3Å; R111-D136 IonicContact CZ-OD1 2.95Å; R111-D136 IonicContact NE-OD1 2.71Å; R111-D136 PolarHBondContact NE-OD1 3.46Å; R111-D136 PolarHBondContact NH2-O 3.42Å; R111-D136 IonicContact NH2-OD1 3.27Å; R111-D136 PolarHBondContact NH2-OD1 2.91Å; I133-D136 PolarHBondContact O-N 2.96Å; E134-D136 VanDerWaalsContact C-N 3.3Å; E134-D136 PolarHBondContact O-N 3.27Å; D136-S217 WeakPolarHBondContact OD2-CB 3.49Å; D136-S217 PolarHBondContact OD2-OG 2.71Å; D136-V218 VanDerWaalsContact CG-N 3.32Å; D136-V218 PolarHBondContact OD1-N 2.88Å; D136-V218 PolarHBondContact OD2-N 3.39Å; D136-L219 HydrophobicContact CB-CG 4.46Å; D136-L219 WeakPolarHBondContact OD2-CG 3.38Å; D136-L219 PolarHBondContact OD2-N 2.93Å
137	L	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.4	-47.3	177.3	-61.1	169.3	0	0	0	110.9	I133 E134 K139 C140 F177 W180 L208 I212 L219	I133-L137 HydrophobicContact CG2-CD1 4.28Å; I133-L137 WeakPolarHBondContact O-CG 3.3Å; I133-L137 PolarHBondContact O-N 3.01Å; E134-L137 PolarHBondContact O-N 3.47Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 2.87Å; L137-C140 VanDerWaalsContact O-CB 3.31Å; L137-C140 WeakPolarHBondContact O-CB 3.17Å; L137-C140 PolarHBondContact O-N 2.93Å; L137-F177 HydrophobicContact CB-CE2 4.04Å; L137-F177 HydrophobicContact CD1-CE2 4.04Å; L137-F177 HydrophobicContact CD1-CZ 4.49Å; L137-W180 HydrophobicContact CB-CZ3 4.43Å; L137-W180 HydrophobicContact CD1-CH2 4.26Å; L137-W180 HydrophobicContact CD1-CZ3 3.99Å; L137-W180 HydrophobicContact CD2-CH2 3.99Å; L137-W180 HydrophobicContact CD2-CZ3 4.4Å; L137-L208 HydrophobicContact CD1-CB 3.99Å; L137-L208 HydrophobicContact CD1-CD1 3.95Å; L137-L208 HydrophobicContact CD2-CB 4.46Å; L137-I212 HydrophobicContact CD2-CB 3.81Å; L137-I212 HydrophobicContact CD2-CD1 4.41Å; L137-I212 HydrophobicContact CD2-CG1 3.99Å; L137-I212 HydrophobicContact CD2-CG2 3.96Å; L137-L219 HydrophobicContact CD1-CD1 4.07Å; L137-L219 HydrophobicContact CD2-CD1 3.88Å; L137-L219 HydrophobicContact CG-CD1 3.8Å
138	I	98.8	Very high	98.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-40.4	179.7	-73.3	164.3	0	0	0	110.7	E134 C140 L141 A142 N173 Y174 F177	E134-I138 HydrophobicContact CB-CD1 4.22Å; E134-I138 HydrophobicContact CG-CD1 4.32Å; E134-I138 VanDerWaalsContact O-CB 3.3Å; E134-I138 WeakPolarHBondContact O-CB 3.47Å; E134-I138 WeakPolarHBondContact O-CD1 3.39Å; E134-I138 WeakPolarHBondContact O-CG1 3.48Å; E134-I138 PolarHBondContact O-N 3.27Å; I138-C140 PolarHBondContact O-N 2.76Å; I138-L141 WeakPolarHBondContact O-CA 3.29Å; I138-L141 WeakPolarHBondContact O-CB 3.4Å; I138-L141 PolarHBondContact O-N 3.2Å; I138-A142 PolarHBondContact O-N 3.13Å; I138-A142 VanDerWaalsContact O-O 3.08Å; I138-N173 HydrophobicContact CG2-CB 3.72Å; I138-Y174 HydrophobicContact CD1-CD1 3.86Å; I138-Y174 HydrophobicContact CD1-CE1 3.77Å; I138-F177 HydrophobicContact CD1-CB 4.31Å; I138-F177 HydrophobicContact CD1-CD1 4.23Å; I138-F177 HydrophobicContact CD1-CG 4.13Å; I138-F177 HydrophobicContact CG1-CB 3.78Å; I138-F177 HydrophobicContact CG1-CD1 4.32Å; I138-F177 HydrophobicContact CG1-CD2 3.84Å; I138-F177 HydrophobicContact CG1-CG 3.72Å
139	K	98.8	Very high	98.7	Very high	32 Å²	32	35.6 Å²	35.6	14%	0.139	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.5	177.7	-82.9	177.2	169.4	-169.6	0	113.9	I106 S107 S108 E135 L137 L141 A142	I106-K139 WeakPolarHBondContact O-CE 3.38Å; I106-K139 PolarHBondContact O-NZ 3.13Å; S107-K139 VanDerWaalsContact C-NZ 3.31Å; S107-K139 WeakPolarHBondContact O-CE 3.42Å; S107-K139 PolarHBondContact O-NZ 2.96Å; S108-K139 PolarHBondContact O-NZ 3.01Å; E135-K139 VanDerWaalsContact O-CB 3.32Å; E135-K139 WeakPolarHBondContact O-CB 3.31Å; E135-K139 VanDerWaalsContact O-CG 3.26Å; E135-K139 WeakPolarHBondContact O-CG 3.32Å; E135-K139 PolarHBondContact O-N 2.93Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 2.87Å; K139-L141 VanDerWaalsContact C-N 3.31Å; K139-A142 WeakPolarHBondContact CA-O 3.38Å
140	C	98.8	Very high	98.7	Very high	25 Å²	25	44.4 Å²	44.4	17%	0.169	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.9	170.4	-69.2	0	0	0	0	113.2	R111 L137 I138 I212 N214	R111-C140 PolarHBondContact NH2-SG 3.28Å; L137-C140 VanDerWaalsContact O-CB 3.31Å; L137-C140 WeakPolarHBondContact O-CB 3.17Å; L137-C140 PolarHBondContact O-N 2.93Å; I138-C140 PolarHBondContact O-N 2.76Å; C140-I212 HydrophobicContact CB-CD1 3.98Å; C140-I212 HydrophobicContact CB-CG1 3.79Å; C140-N214 HydrophobicContact CB-CB 4.14Å; C140-N214 VanDerWaalsContact SG-CG 3.57Å
141	L	98.6	Very high	98.7	Very high	59 Å²	59	47.4 Å²	47.4	31%	0.309	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-38.6	180	-52.9	179.4	0	0	0	112.1	I138 K139 L176 F177 W180 I212	I138-L141 WeakPolarHBondContact O-CA 3.29Å; I138-L141 WeakPolarHBondContact O-CB 3.4Å; I138-L141 PolarHBondContact O-N 3.2Å; K139-L141 VanDerWaalsContact C-N 3.31Å; L141-L176 HydrophobicContact CB-CB 4.29Å; L141-L176 HydrophobicContact CD1-CB 4.34Å; L141-F177 HydrophobicContact CD1-CB 4.4Å; L141-F177 HydrophobicContact CD1-CD2 4.45Å; L141-W180 HydrophobicContact CD1-CB 4Å; L141-W180 HydrophobicContact CD1-CG 4.3Å; L141-W180 HydrophobicContact CD2-CG 4.47Å; L141-I212 HydrophobicContact CD2-CD1 4.13Å
142	A	98.5	Very high	98.7	Very high	14 Å²	14	51.1 Å²	51.1	12%	0.116	26%	0.259	C	S	.	.	S	Bend	trans	-158.6	148.4	179.7	0	0	0	0	0	111.8	I138 K139 N173 L176	I138-A142 PolarHBondContact O-N 3.13Å; I138-A142 VanDerWaalsContact O-O 3.08Å; K139-A142 WeakPolarHBondContact CA-O 3.38Å; A142-N173 HydrophobicContact CB-CB 4.21Å; A142-N173 VanDerWaalsContact CB-CG 3.45Å; A142-N173 WeakPolarHBondContact CB-OD1 3.46Å; A142-N173 PolarHBondContact O-ND2 2.68Å; A142-L176 HydrophobicContact CB-CD1 3.86Å
143	P	98.6	Very high	98.6	Very high	68 Å²	68	53.3 Å²	53.3	44%	0.442	28%	0.281	S	S	.	.			trans	-76.8	160.7	-174.7	32.5	-38.4	0	0	0	113.7	Y145 N173	P143-Y145 HydrophobicContact CB-CE2 4.49Å; P143-Y145 HydrophobicContact CG-CE1 4.23Å; P143-Y145 HydrophobicContact CG-CE2 3.85Å; P143-Y145 VanDerWaalsContact CG-OH 3.22Å; P143-Y145 WeakPolarHBondContact CG-OH 3.31Å; P143-N173 PolarHBondContact O-ND2 3.18Å
144	T	98.7	Very high	98.6	Very high	32 Å²	32	56.8 Å²	56.8	20%	0.196	31%	0.31	C	S	.	.			trans	-100.4	144.4	165	-61.3	0	0	0	0	109.1	L167 V169	T144-L167 HydrophobicContact CG2-CB 3.9Å; T144-L167 HydrophobicContact CG2-CD1 4.35Å; T144-V169 HydrophobicContact CG2-CG2 3.87Å
145	Y	98.8	Very high	98.6	Very high	128 Å²	128	61.8 Å²	61.8	50%	0.502	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.9	-173.2	-61.4	-89.2	0	0	0	112.8	P143 L167 L168 P170	P143-Y145 HydrophobicContact CB-CE2 4.49Å; P143-Y145 HydrophobicContact CG-CE1 4.23Å; P143-Y145 HydrophobicContact CG-CE2 3.85Å; P143-Y145 VanDerWaalsContact CG-OH 3.22Å; P143-Y145 WeakPolarHBondContact CG-OH 3.31Å; Y145-L167 CarbonylContact O-C 3.59Å; Y145-L167 VanDerWaalsContact O-CA 3.29Å; Y145-L167 WeakPolarHBondContact O-CA 3.33Å; Y145-L168 PolarHBondContact N-O 3.02Å; Y145-L168 PolarHBondContact O-N 3.35Å; Y145-P170 HydrophobicContact CD2-CG 4.15Å; Y145-P170 HydrophobicContact CE2-CG 3.96Å
146	L	98.8	Very high	98.6	Very high	138 Å²	138	61.9 Å²	61.9	72%	0.723	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	133	169.9	-173.7	65.6	0	0	0	110.3	L167	L146-L167 HydrophobicContact CD1-CD2 4.39Å
147	G	98.4	Very high	98.6	Very high	25 Å²	25	70.1 Å²	70.1	26%	0.258	37%	0.365	S	S	.	.			trans	-134.5	-137.7	173.3	0	0	0	0	0	110.7	N166	G147-N166 CarbonylContact C-O 3.42Å; G147-N166 VanDerWaalsContact CA-O 3.29Å; G147-N166 WeakPolarHBondContact CA-O 3.33Å; G147-N166 PolarHBondContact N-O 3.25Å
148	S	98.6	Very high	98.6	Very high	52 Å²	52	78 Å²	78	36%	0.364	40%	0.402	S	S	.	.			trans	-147.5	145.7	179.4	165.8	0	0	0	0	111.3	R150 L151 R163	S148-R150 PolarHBondContact O-N 2.86Å; S148-R150 VanDerWaalsContact O-N 3.08Å; S148-R150 PolarHBondContact OG-N 3.09Å; S148-L151 WeakPolarHBondContact O-CG 3.22Å; S148-L151 PolarHBondContact O-N 3.38Å; S148-R163 VanDerWaalsContact O-CD 3.29Å; S148-R163 WeakPolarHBondContact O-CD 3.36Å
149	F	98.5	Very high	98.5	Very high	108 Å²	108	84.9 Å²	84.9	47%	0.474	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.1	174.5	-73.7	-82.8	0	0	0	113.7	R163 G165 N166	F149-R163 PolarHBondContact O-NH1 3.07Å; F149-G165 WeakPolarHBondContact CA-O 3.41Å; F149-G165 VanDerWaalsContact CD1-C 3.47Å; F149-N166 HydrophobicContact CD2-CB 3.59Å; F149-N166 HydrophobicContact CE2-CB 3.56Å; F149-N166 HydrophobicContact CG-CB 4.2Å; F149-N166 HydrophobicContact CZ-CB 4.17Å
150	R	98.6	Very high	98.5	Very high	216 Å²	216	84.2 Å²	84.2	82%	0.815	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	8.2	-172.7	-57.1	-62	-176.6	-108.5	-0.6	113.6	S148	S148-R150 PolarHBondContact O-N 2.86Å; S148-R150 VanDerWaalsContact O-N 3.08Å; S148-R150 PolarHBondContact OG-N 3.09Å
151	L	98.1	Very high	98.5	Very high	63 Å²	63	85.3 Å²	85.3	33%	0.33	44%	0.438	S	S	.	.	S	Bend	trans	-63.7	134.9	172.2	-67.5	172.5	0	0	0	110.7	S148 G153 L156 R163 L168	S148-L151 WeakPolarHBondContact O-CG 3.22Å; S148-L151 PolarHBondContact O-N 3.38Å; L151-G153 PolarHBondContact O-N 3.1Å; L151-L156 HydrophobicContact CB-CD1 3.76Å; L151-L156 HydrophobicContact CB-CD2 4.42Å; L151-L156 HydrophobicContact CB-CG 4.26Å; L151-L156 HydrophobicContact CD1-CD2 4.37Å; L151-R163 PolarHBondContact O-NE 3.1Å; L151-L168 HydrophobicContact CD1-CD1 3.86Å; L151-L168 HydrophobicContact CD1-CD2 3.99Å; L151-L168 HydrophobicContact CD1-CG 4.25Å
152	N	98.5	Very high	98.5	Very high	86 Å²	86	84.7 Å²	84.7	46%	0.46	44%	0.435	S	S	.	.			trans	-67.2	125.3	-176	-179.2	-77.5	0	0	0	111.6	A154 Q155 L156	N152-A154 PolarHBondContact O-N 2.87Å; N152-A154 WeakPolarHBondContact OD1-CB 3.38Å; N152-A154 PolarHBondContact OD1-N 3.48Å; N152-Q155 HydrophobicContact CB-CB 4.31Å; N152-Q155 HydrophobicContact CB-CG 4.26Å; N152-Q155 PolarHBondContact O-N 3.07Å; N152-Q155 PolarHBondContact OD1-N 2.92Å; N152-Q155 VanDerWaalsContact OD1-N 3.08Å; N152-L156 VanDerWaalsContact O-CG 3.28Å; N152-L156 WeakPolarHBondContact O-CG 3.4Å; N152-L156 PolarHBondContact O-N 3.19Å; N152-L156 VanDerWaalsContact O-N 3.09Å
153	G	98.5	Very high	98.5	Very high	46 Å²	46	89 Å²	89	47%	0.474	45%	0.448	S	S	.	.	H	α-helix	trans	-63.8	-38.6	-175.6	0	0	0	0	0	114.4	L151 L156 R157	L151-G153 PolarHBondContact O-N 3.1Å; G153-L156 PolarHBondContact O-N 3.41Å; G153-R157 WeakPolarHBondContact O-CB 3.41Å; G153-R157 PolarHBondContact O-N 3.22Å
154	A	98.5	Very high	98.5	Very high	74 Å²	74	87.7 Å²	87.7	61%	0.612	44%	0.437	S	S	*	.	H	α-helix	trans	-67.3	-44.4	-179.2	0	0	0	0	0	111.4	N152 L156 R157 E158	N152-A154 PolarHBondContact O-N 2.87Å; N152-A154 WeakPolarHBondContact OD1-CB 3.38Å; N152-A154 PolarHBondContact OD1-N 3.48Å; A154-L156 VanDerWaalsContact C-N 3.34Å; A154-L156 PolarHBondContact O-N 3.41Å; A154-R157 PolarHBondContact O-N 3.36Å; A154-E158 PolarHBondContact O-N 2.65Å
155	Q	98.5	Very high	98.5	Very high	115 Å²	115	87.5 Å²	87.5	54%	0.537	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-38.2	176.3	-67.9	-179.5	-11.7	0	0	112.4	N152 K159	N152-Q155 HydrophobicContact CB-CB 4.31Å; N152-Q155 HydrophobicContact CB-CG 4.26Å; N152-Q155 PolarHBondContact O-N 3.07Å; N152-Q155 PolarHBondContact OD1-N 2.92Å; N152-Q155 VanDerWaalsContact OD1-N 3.08Å; Q155-K159 WeakPolarHBondContact O-CG 3.01Å; Q155-K159 PolarHBondContact O-N 3.36Å
156	L	98.6	Very high	98.5	Very high	15 Å²	15	84.2 Å²	84.2	8%	0.079	43%	0.433	C	S	.	.	H	α-helix	trans	-63.9	-43.7	174.6	-72.7	176.1	0	0	0	111.3	L151 N152 G153 A154 K159 G160 L161 R163 L168	L151-L156 HydrophobicContact CB-CD1 3.76Å; L151-L156 HydrophobicContact CB-CD2 4.42Å; L151-L156 HydrophobicContact CB-CG 4.26Å; L151-L156 HydrophobicContact CD1-CD2 4.37Å; N152-L156 VanDerWaalsContact O-CG 3.28Å; N152-L156 WeakPolarHBondContact O-CG 3.4Å; N152-L156 PolarHBondContact O-N 3.19Å; N152-L156 VanDerWaalsContact O-N 3.09Å; G153-L156 PolarHBondContact O-N 3.41Å; A154-L156 VanDerWaalsContact C-N 3.34Å; A154-L156 PolarHBondContact O-N 3.41Å; L156-K159 CarbonylContact O-C 3.59Å; L156-K159 PolarHBondContact O-N 3.11Å; L156-G160 PolarHBondContact O-N 2.97Å; L156-G160 VanDerWaalsContact O-N 3.09Å; L156-L161 CarbonylContact C-O 3.58Å; L156-L161 HydrophobicContact CB-CB 4.36Å; L156-L161 WeakPolarHBondContact CB-O 3.36Å; L156-L161 HydrophobicContact CD2-CB 3.9Å; L156-L161 HydrophobicContact CD2-CD1 3.93Å; L156-L161 PolarHBondContact O-N 3.23Å; L156-R163 HydrophobicContact CD1-CB 3.79Å; L156-R163 HydrophobicContact CD1-CG 4.42Å; L156-L168 HydrophobicContact CD1-CD2 4.16Å; L156-L168 HydrophobicContact CD2-CD2 3.85Å
157	R	98.4	Very high	98.5	Very high	174 Å²	174	79 Å²	79	66%	0.657	41%	0.405	S	S	*	.	H	α-helix	trans	-62.1	-44.7	177.9	179.1	58.1	178.5	-171.9	1	112.2	G153 A154 K159 G160	G153-R157 WeakPolarHBondContact O-CB 3.41Å; G153-R157 PolarHBondContact O-N 3.22Å; A154-R157 PolarHBondContact O-N 3.36Å; R157-K159 PolarHBondContact O-N 2.95Å; R157-G160 PolarHBondContact O-N 3.36Å
158	E	98.3	Very high	98.5	Very high	165 Å²	165	78.9 Å²	78.9	77%	0.771	40%	0.399	S	S	*	.	H	α-helix	trans	-57.2	-36.6	175.6	-174.2	-179	-168.6	0	0	111.7	A154 G160	A154-E158 PolarHBondContact O-N 2.65Å; E158-G160 VanDerWaalsContact C-N 3.34Å
159	K	98.3	Very high	98.5	Very high	147 Å²	147	76.5 Å²	76.5	64%	0.639	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.7	177.8	-66.2	176.8	-177.7	-178	0	114.3	Q155 L156 R157 L161	Q155-K159 WeakPolarHBondContact O-CG 3.01Å; Q155-K159 PolarHBondContact O-N 3.36Å; L156-K159 CarbonylContact O-C 3.59Å; L156-K159 PolarHBondContact O-N 3.11Å; R157-K159 PolarHBondContact O-N 2.95Å; K159-L161 HydrophobicContact CB-CD1 4.24Å; K159-L161 HydrophobicContact CB-CG 4.2Å
160	G	98.2	Very high	98.5	Very high	19 Å²	19	72.7 Å²	72.7	20%	0.196	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	36.8	-176.1	0	0	0	0	0	113.7	L156 R157 E158 N171	L156-G160 PolarHBondContact O-N 2.97Å; L156-G160 VanDerWaalsContact O-N 3.09Å; R157-G160 PolarHBondContact O-N 3.36Å; E158-G160 VanDerWaalsContact C-N 3.34Å; G160-N171 WeakPolarHBondContact O-CB 3.4Å; G160-N171 PolarHBondContact O-N 3.1Å
161	L	98.7	Very high	98.5	Very high	47 Å²	47	65 Å²	65	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.1	176	-62	176.6	0	0	0	110	L156 K159 P170	L156-L161 CarbonylContact C-O 3.58Å; L156-L161 HydrophobicContact CB-CB 4.36Å; L156-L161 WeakPolarHBondContact CB-O 3.36Å; L156-L161 HydrophobicContact CD2-CB 3.9Å; L156-L161 HydrophobicContact CD2-CD1 3.93Å; L156-L161 PolarHBondContact O-N 3.23Å; K159-L161 HydrophobicContact CB-CD1 4.24Å; K159-L161 HydrophobicContact CB-CG 4.2Å; L161-P170 HydrophobicContact CD2-CB 4.13Å; L161-P170 HydrophobicContact CD2-CG 4.15Å
162	N	98.6	Very high	98.5	Very high	47 Å²	47	69.1 Å²	69.1	25%	0.251	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.6	171.9	-54.8	-53.9	0	0	0	109.7	L168 V169 N171 Y174	N162-L168 WeakPolarHBondContact O-CA 3.47Å; N162-V169 PolarHBondContact N-O 2.78Å; N162-V169 PolarHBondContact O-N 3.34Å; N162-N171 PolarHBondContact ND2-OD1 3.39Å; N162-N171 PolarHBondContact OD1-OD1 2.96Å; N162-Y174 VanDerWaalsContact ND2-CE2 3.28Å; N162-Y174 WeakPolarHBondContact ND2-CE2 3.47Å
163	R	98.7	Very high	98.5	Very high	103 Å²	103	65.3 Å²	65.3	39%	0.389	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.9	-179	-178.8	167.6	64.6	74.5	0.4	111.4	S148 F149 L151 L156 G165 L167 L168	S148-R163 VanDerWaalsContact O-CD 3.29Å; S148-R163 WeakPolarHBondContact O-CD 3.36Å; F149-R163 PolarHBondContact O-NH1 3.07Å; L151-R163 PolarHBondContact O-NE 3.1Å; L156-R163 HydrophobicContact CD1-CB 3.79Å; L156-R163 HydrophobicContact CD1-CG 4.42Å; R163-G165 WeakPolarHBondContact CD-O 3.29Å; R163-G165 WeakPolarHBondContact CG-O 3.37Å; R163-G165 PolarHBondContact NH1-O 3.43Å; R163-G165 VanDerWaalsContact NH1-O 3.15Å; R163-L167 WeakPolarHBondContact CA-O 3.34Å; R163-L168 HydrophobicContact CB-CD2 4.08Å; R163-L168 HydrophobicContact CG-CD2 4.33Å
164	I	98.6	Very high	98.5	Very high	42 Å²	42	65.3 Å²	65.3	22%	0.215	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	94.2	173.3	-54	174.3	0	0	0	107.2	E135 N166 L167 V169	E135-I164 WeakPolarHBondContact OE1-CD1 3.46Å; E135-I164 WeakPolarHBondContact OE2-CD1 3.36Å; I164-N166 PolarHBondContact O-N 3.4Å; I164-N166 VanDerWaalsContact O-N 3.1Å; I164-L167 HydrophobicContact CB-CB 4.37Å; I164-L167 PolarHBondContact N-O 3Å; I164-L167 WeakPolarHBondContact O-CA 3.44Å; I164-L167 VanDerWaalsContact O-CB 3.32Å; I164-L167 WeakPolarHBondContact O-CB 3.32Å; I164-L167 PolarHBondContact O-N 3.03Å; I164-V169 HydrophobicContact CD1-CG2 3.76Å; I164-V169 HydrophobicContact CG1-CG2 4.45Å
165	G	98.6	Very high	98.5	Very high	27 Å²	27	65 Å²	65	28%	0.278	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-114.3	-172.9	0	0	0	0	0	112	F149 R163	F149-G165 WeakPolarHBondContact CA-O 3.41Å; F149-G165 VanDerWaalsContact CD1-C 3.47Å; R163-G165 WeakPolarHBondContact CD-O 3.29Å; R163-G165 WeakPolarHBondContact CG-O 3.37Å; R163-G165 PolarHBondContact NH1-O 3.43Å; R163-G165 VanDerWaalsContact NH1-O 3.15Å
166	N	98.7	Very high	98.5	Very high	60 Å²	60	62.5 Å²	62.5	32%	0.321	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	17.9	170.8	64.1	-16	0	0	0	113.6	G147 F149 I164	G147-N166 CarbonylContact C-O 3.42Å; G147-N166 VanDerWaalsContact CA-O 3.29Å; G147-N166 WeakPolarHBondContact CA-O 3.33Å; G147-N166 PolarHBondContact N-O 3.25Å; F149-N166 HydrophobicContact CD2-CB 3.59Å; F149-N166 HydrophobicContact CE2-CB 3.56Å; F149-N166 HydrophobicContact CG-CB 4.2Å; F149-N166 HydrophobicContact CZ-CB 4.17Å; I164-N166 PolarHBondContact O-N 3.4Å; I164-N166 VanDerWaalsContact O-N 3.1Å
167	L	98.8	Very high	98.5	Very high	27 Å²	27	61.8 Å²	61.8	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	154.7	175.3	-50.7	178.6	0	0	0	110.6	S107 T144 Y145 L146 R163 I164	S107-L167 VanDerWaalsContact O-CD1 3.31Å; S107-L167 WeakPolarHBondContact O-CD1 3.14Å; T144-L167 HydrophobicContact CG2-CB 3.9Å; T144-L167 HydrophobicContact CG2-CD1 4.35Å; Y145-L167 CarbonylContact O-C 3.59Å; Y145-L167 VanDerWaalsContact O-CA 3.29Å; Y145-L167 WeakPolarHBondContact O-CA 3.33Å; L146-L167 HydrophobicContact CD1-CD2 4.39Å; R163-L167 WeakPolarHBondContact CA-O 3.34Å; I164-L167 HydrophobicContact CB-CB 4.37Å; I164-L167 PolarHBondContact N-O 3Å; I164-L167 WeakPolarHBondContact O-CA 3.44Å; I164-L167 VanDerWaalsContact O-CB 3.32Å; I164-L167 WeakPolarHBondContact O-CB 3.32Å; I164-L167 PolarHBondContact O-N 3.03Å
168	L	98.9	Very high	98.5	Very high	24 Å²	24	55.9 Å²	55.9	13%	0.126	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129	177.8	-66.3	175.7	0	0	0	110.7	Y145 L151 L156 N162 R163	Y145-L168 PolarHBondContact N-O 3.02Å; Y145-L168 PolarHBondContact O-N 3.35Å; L151-L168 HydrophobicContact CD1-CD1 3.86Å; L151-L168 HydrophobicContact CD1-CD2 3.99Å; L151-L168 HydrophobicContact CD1-CG 4.25Å; L156-L168 HydrophobicContact CD1-CD2 4.16Å; L156-L168 HydrophobicContact CD2-CD2 3.85Å; N162-L168 WeakPolarHBondContact O-CA 3.47Å; R163-L168 HydrophobicContact CB-CD2 4.08Å; R163-L168 HydrophobicContact CG-CD2 4.33Å
169	V	98.7	Very high	98.5	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.3	175.3	-173.2	0	0	0	0	108.4	T144 N162 I164 N173 Y174	T144-V169 HydrophobicContact CG2-CG2 3.87Å; N162-V169 PolarHBondContact N-O 2.78Å; N162-V169 PolarHBondContact O-N 3.34Å; I164-V169 HydrophobicContact CD1-CG2 3.76Å; I164-V169 HydrophobicContact CG1-CG2 4.45Å; V169-N173 HydrophobicContact CG1-CB 4Å; V169-Y174 HydrophobicContact CB-CE2 4.25Å; V169-Y174 HydrophobicContact CG1-CD2 4.39Å; V169-Y174 HydrophobicContact CG1-CE2 3.57Å
170	P	98.7	Very high	98.5	Very high	27 Å²	27	49.1 Å²	49.1	18%	0.175	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141.3	175.3	-23.2	34.1	0	0	0	112.2	Y145 L161 K172 N173	Y145-P170 HydrophobicContact CD2-CG 4.15Å; Y145-P170 HydrophobicContact CE2-CG 3.96Å; L161-P170 HydrophobicContact CD2-CB 4.13Å; L161-P170 HydrophobicContact CD2-CG 4.15Å; P170-K172 PolarHBondContact O-N 3.22Å; P170-K172 VanDerWaalsContact O-N 3.1Å; P170-N173 WeakPolarHBondContact O-CB 3.46Å; P170-N173 PolarHBondContact O-N 2.68Å; P170-N173 PolarHBondContact O-OD1 2.82Å
171	N	98.2	Very high	98.5	Very high	55 Å²	55	48.2 Å²	48.2	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-54.7	-31.8	176.4	-87.9	-0.4	0	0	0	113	G160 N162 N173 Y174 C175	G160-N171 WeakPolarHBondContact O-CB 3.4Å; G160-N171 PolarHBondContact O-N 3.1Å; N162-N171 PolarHBondContact ND2-OD1 3.39Å; N162-N171 PolarHBondContact OD1-OD1 2.96Å; N171-N173 PolarHBondContact O-N 3.24Å; N171-N173 VanDerWaalsContact O-N 3.12Å; N171-Y174 PolarHBondContact O-N 2.78Å; N171-C175 PolarHBondContact O-N 3.23Å
172	K	98.2	Very high	98.5	Very high	149 Å²	149	46.9 Å²	46.9	65%	0.648	24%	0.239	S	C	*	.	H	α-helix	trans	-53.3	-32.3	175.7	-173.1	-179.9	178.5	-176.7	0	112.2	P170 Y174 C175 L176	P170-K172 PolarHBondContact O-N 3.22Å; P170-K172 VanDerWaalsContact O-N 3.1Å; K172-Y174 VanDerWaalsContact C-N 3.31Å; K172-Y174 PolarHBondContact O-N 3.17Å; K172-C175 PolarHBondContact O-N 2.91Å; K172-L176 WeakPolarHBondContact O-CG 3.33Å; K172-L176 PolarHBondContact O-N 3.01Å
173	N	98.6	Very high	98.5	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-41.7	177.3	-65.4	29.4	0	0	0	111.3	I138 A142 P143 V169 P170 N171 L176 F177	I138-N173 HydrophobicContact CG2-CB 3.72Å; A142-N173 HydrophobicContact CB-CB 4.21Å; A142-N173 VanDerWaalsContact CB-CG 3.45Å; A142-N173 WeakPolarHBondContact CB-OD1 3.46Å; A142-N173 PolarHBondContact O-ND2 2.68Å; P143-N173 PolarHBondContact O-ND2 3.18Å; V169-N173 HydrophobicContact CG1-CB 4Å; P170-N173 WeakPolarHBondContact O-CB 3.46Å; P170-N173 PolarHBondContact O-N 2.68Å; P170-N173 PolarHBondContact O-OD1 2.82Å; N171-N173 PolarHBondContact O-N 3.24Å; N171-N173 VanDerWaalsContact O-N 3.12Å; N173-L176 WeakPolarHBondContact O-CB 3.47Å; N173-L176 PolarHBondContact O-N 2.84Å; N173-F177 PolarHBondContact O-N 3.17Å
174	Y	98.4	Very high	98.5	Very high	45 Å²	45	43.8 Å²	43.8	18%	0.176	23%	0.233	C	C	.	.	H	α-helix	trans	-72.2	-32.6	177.6	-61.8	-81.5	0	0	0	112.3	I138 N162 V169 N171 K172 F177 E178 S238	I138-Y174 HydrophobicContact CD1-CD1 3.86Å; I138-Y174 HydrophobicContact CD1-CE1 3.77Å; N162-Y174 VanDerWaalsContact ND2-CE2 3.28Å; N162-Y174 WeakPolarHBondContact ND2-CE2 3.47Å; V169-Y174 HydrophobicContact CB-CE2 4.25Å; V169-Y174 HydrophobicContact CG1-CD2 4.39Å; V169-Y174 HydrophobicContact CG1-CE2 3.57Å; N171-Y174 PolarHBondContact O-N 2.78Å; K172-Y174 VanDerWaalsContact C-N 3.31Å; K172-Y174 PolarHBondContact O-N 3.17Å; Y174-F177 WeakPolarHBondContact O-CB 3.16Å; Y174-F177 PolarHBondContact O-N 2.87Å; Y174-E178 PolarHBondContact O-N 2.93Å; Y174-S238 WeakPolarHBondContact CD1-OG 3.4Å
175	C	98.2	Very high	98.4	Very high	67 Å²	67	41.8 Å²	41.8	45%	0.453	22%	0.223	S	C	.	.	H	α-helix	trans	-65.7	-38.4	171.1	-57	0	0	0	0	112.1	N171 K172 F177 N179	N171-C175 PolarHBondContact O-N 3.23Å; K172-C175 PolarHBondContact O-N 2.91Å; C175-F177 VanDerWaalsContact C-N 3.31Å; C175-N179 VanDerWaalsContact O-CG 3.31Å; C175-N179 PolarHBondContact O-N 3.36Å; C175-N179 VanDerWaalsContact O-N 3.17Å; C175-N179 PolarHBondContact O-ND2 2.96Å
176	L	98.5	Very high	98.4	Very high	63 Å²	63	43.8 Å²	43.8	33%	0.33	23%	0.227	S	C	.	.	H	α-helix	trans	-64.6	-40.2	173.3	-69.1	170	0	0	0	111	L141 A142 K172 N173 N179 W180	L141-L176 HydrophobicContact CB-CB 4.29Å; L141-L176 HydrophobicContact CD1-CB 4.34Å; A142-L176 HydrophobicContact CB-CD1 3.86Å; K172-L176 WeakPolarHBondContact O-CG 3.33Å; K172-L176 PolarHBondContact O-N 3.01Å; N173-L176 WeakPolarHBondContact O-CB 3.47Å; N173-L176 PolarHBondContact O-N 2.84Å; L176-N179 PolarHBondContact O-N 2.92Å; L176-W180 WeakPolarHBondContact O-CB 3.36Å; L176-W180 PolarHBondContact O-N 2.99Å; L176-W180 VanDerWaalsContact O-N 3.1Å
177	F	98.6	Very high	98.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-44.6	176.2	-174.9	-121.2	0	0	0	112.7	E134 L137 I138 L141 N173 Y174 C175 N179 W180 V181 L239 M242	E134-F177 HydrophobicContact CB-CE1 4.11Å; E134-F177 HydrophobicContact CB-CZ 3.99Å; L137-F177 HydrophobicContact CB-CE2 4.04Å; L137-F177 HydrophobicContact CD1-CE2 4.04Å; L137-F177 HydrophobicContact CD1-CZ 4.49Å; I138-F177 HydrophobicContact CD1-CB 4.31Å; I138-F177 HydrophobicContact CD1-CD1 4.23Å; I138-F177 HydrophobicContact CD1-CG 4.13Å; I138-F177 HydrophobicContact CG1-CB 3.78Å; I138-F177 HydrophobicContact CG1-CD1 4.32Å; I138-F177 HydrophobicContact CG1-CD2 3.84Å; I138-F177 HydrophobicContact CG1-CG 3.72Å; L141-F177 HydrophobicContact CD1-CB 4.4Å; L141-F177 HydrophobicContact CD1-CD2 4.45Å; N173-F177 PolarHBondContact O-N 3.17Å; Y174-F177 WeakPolarHBondContact O-CB 3.16Å; Y174-F177 PolarHBondContact O-N 2.87Å; C175-F177 VanDerWaalsContact C-N 3.31Å; F177-N179 PolarHBondContact O-N 3Å; F177-W180 HydrophobicContact CD2-CE3 4.03Å; F177-W180 HydrophobicContact CD2-CZ3 4.45Å; F177-W180 AromaticContact CE2-CE3 3.95Å; F177-W180 HydrophobicContact CE2-CE3 3.95Å; F177-W180 AromaticContact CE2-CZ3 3.94Å; F177-W180 HydrophobicContact CE2-CZ3 3.94Å; F177-W180 PolarHBondContact O-N 3.21Å; F177-W180 VanDerWaalsContact O-N 3.15Å; F177-V181 HydrophobicContact CD1-CG1 4.49Å; F177-V181 HydrophobicContact CE1-CG1 4.32Å; F177-V181 HydrophobicContact CE2-CB 4.26Å; F177-V181 HydrophobicContact CZ-CB 4.34Å; F177-V181 HydrophobicContact CZ-CG1 4.41Å; F177-V181 HydrophobicContact CZ-CG2 4.36Å; F177-V181 WeakPolarHBondContact O-CB 3.28Å; F177-V181 WeakPolarHBondContact O-CG1 3.24Å; F177-V181 PolarHBondContact O-N 3.39Å; F177-L239 HydrophobicContact CE1-CB 4.31Å; F177-L239 HydrophobicContact CE1-CD1 4.38Å; F177-L239 HydrophobicContact CZ-CB 4.39Å; F177-L239 HydrophobicContact CZ-CD1 4.08Å; F177-M242 HydrophobicContact CD1-CG 4.24Å; F177-M242 HydrophobicContact CE1-CG 4.22Å
178	E	98.2	Very high	98.4	Very high	51 Å²	51	43.2 Å²	43.2	24%	0.238	22%	0.222	C	C	.	.	H	α-helix	trans	-52.6	-53.6	173.3	178.7	-178.8	172.1	0	0	110.8	Y174 W180 V181 L182 M242 R249	Y174-E178 PolarHBondContact O-N 2.93Å; E178-W180 PolarHBondContact O-N 3.35Å; E178-V181 PolarHBondContact O-N 3.25Å; E178-L182 HydrophobicContact CG-CD1 3.5Å; E178-L182 VanDerWaalsContact CG-CD1 3.5Å; E178-L182 HydrophobicContact CG-CG 3.96Å; E178-L182 WeakPolarHBondContact O-CB 3.31Å; E178-L182 VanDerWaalsContact O-CG 3.31Å; E178-L182 WeakPolarHBondContact O-CG 3.11Å; E178-L182 PolarHBondContact O-N 3.33Å; E178-M242 HydrophobicContact CB-CE 4.19Å; E178-M242 HydrophobicContact CB-SD 3.5Å; E178-M242 VanDerWaalsContact CB-SD 3.5Å; E178-M242 HydrophobicContact CG-SD 3.61Å; E178-R249 IonicContact OE1-NH2 3.97Å
179	N	98.2	Very high	98.4	Very high	116 Å²	116	42.1 Å²	42.1	62%	0.62	22%	0.217	S	C	*	.	H	α-helix	trans	-59.7	-33.6	-179.1	-70.8	-24.7	0	0	0	112.7	C175 L176 F177 P183	C175-N179 VanDerWaalsContact O-CG 3.31Å; C175-N179 PolarHBondContact O-N 3.36Å; C175-N179 VanDerWaalsContact O-N 3.17Å; C175-N179 PolarHBondContact O-ND2 2.96Å; L176-N179 PolarHBondContact O-N 2.92Å; F177-N179 PolarHBondContact O-N 3Å; N179-P183 WeakPolarHBondContact O-CD 3.47Å
180	W	98.7	Very high	98.4	Very high	54 Å²	54	47.7 Å²	47.7	21%	0.205	24%	0.241	C	C	.	.	H	α-helix	trans	-80.3	-41.8	-179.7	177.9	80.1	0	0	0	112.7	L137 L141 L176 F177 E178 L184 L208 K211 I212	L137-W180 HydrophobicContact CB-CZ3 4.43Å; L137-W180 HydrophobicContact CD1-CH2 4.26Å; L137-W180 HydrophobicContact CD1-CZ3 3.99Å; L137-W180 HydrophobicContact CD2-CH2 3.99Å; L137-W180 HydrophobicContact CD2-CZ3 4.4Å; L141-W180 HydrophobicContact CD1-CB 4Å; L141-W180 HydrophobicContact CD1-CG 4.3Å; L141-W180 HydrophobicContact CD2-CG 4.47Å; L176-W180 WeakPolarHBondContact O-CB 3.36Å; L176-W180 PolarHBondContact O-N 2.99Å; L176-W180 VanDerWaalsContact O-N 3.1Å; F177-W180 HydrophobicContact CD2-CE3 4.03Å; F177-W180 HydrophobicContact CD2-CZ3 4.45Å; F177-W180 AromaticContact CE2-CE3 3.95Å; F177-W180 HydrophobicContact CE2-CE3 3.95Å; F177-W180 AromaticContact CE2-CZ3 3.94Å; F177-W180 HydrophobicContact CE2-CZ3 3.94Å; F177-W180 PolarHBondContact O-N 3.21Å; F177-W180 VanDerWaalsContact O-N 3.15Å; E178-W180 PolarHBondContact O-N 3.35Å; W180-L184 HydrophobicContact CD2-CD1 4.37Å; W180-L184 HydrophobicContact CE3-CD1 4.42Å; W180-L184 HydrophobicContact CH2-CD1 3.81Å; W180-L184 HydrophobicContact CZ2-CD1 3.72Å; W180-L184 HydrophobicContact CZ3-CD1 4.15Å; W180-L208 HydrophobicContact CH2-CB 4.17Å; W180-L208 HydrophobicContact CH2-CD2 3.89Å; W180-L208 HydrophobicContact CZ3-CD2 3.96Å; W180-K211 HydrophobicContact CZ2-CB 4.1Å; W180-I212 HydrophobicContact CD2-CD1 4.26Å; W180-I212 HydrophobicContact CH2-CB 4.21Å; W180-I212 HydrophobicContact CH2-CD1 4.11Å; W180-I212 HydrophobicContact CZ2-CB 3.82Å; W180-I212 HydrophobicContact CZ2-CD1 3.61Å; W180-I212 HydrophobicContact CZ2-CG1 4.3Å
181	V	98.5	Very high	98.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-87	-32.6	-170.6	79	0	0	0	0	113.5	F177 E178 L184 L185 L208 L239 M242	F177-V181 HydrophobicContact CD1-CG1 4.49Å; F177-V181 HydrophobicContact CE1-CG1 4.32Å; F177-V181 HydrophobicContact CE2-CB 4.26Å; F177-V181 HydrophobicContact CZ-CB 4.34Å; F177-V181 HydrophobicContact CZ-CG1 4.41Å; F177-V181 HydrophobicContact CZ-CG2 4.36Å; F177-V181 WeakPolarHBondContact O-CB 3.28Å; F177-V181 WeakPolarHBondContact O-CG1 3.24Å; F177-V181 PolarHBondContact O-N 3.39Å; E178-V181 PolarHBondContact O-N 3.25Å; V181-L184 WeakPolarHBondContact O-CA 3.31Å; V181-L184 WeakPolarHBondContact O-CB 3.42Å; V181-L184 PolarHBondContact O-N 2.82Å; V181-L185 HydrophobicContact CG2-CG 4.37Å; V181-L185 PolarHBondContact O-N 2.79Å; V181-L208 HydrophobicContact CG2-CD2 3.95Å; V181-L239 HydrophobicContact CG2-CD1 3.89Å; V181-M242 HydrophobicContact CG1-CB 3.75Å; V181-M242 HydrophobicContact CG1-CG 3.61Å
182	L	97.7	Very high	98.3	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.099	24%	0.235	C	C	.	.	H	α-helix	trans	-56.8	-45.4	-176.4	-74.5	-178.2	0	0	0	113.4	E178 L184 L185 D186 H246	E178-L182 HydrophobicContact CG-CD1 3.5Å; E178-L182 VanDerWaalsContact CG-CD1 3.5Å; E178-L182 HydrophobicContact CG-CG 3.96Å; E178-L182 WeakPolarHBondContact O-CB 3.31Å; E178-L182 VanDerWaalsContact O-CG 3.31Å; E178-L182 WeakPolarHBondContact O-CG 3.11Å; E178-L182 PolarHBondContact O-N 3.33Å; L182-L184 PolarHBondContact O-N 2.85Å; L182-L185 HydrophobicContact CD2-CD1 4.39Å; L182-L185 PolarHBondContact O-N 2.98Å; L182-L185 VanDerWaalsContact O-N 3.1Å; L182-D186 PolarHBondContact O-N 3.27Å; L182-H246 HydrophobicContact CD2-CB 3.92Å
183	P	98.1	Very high	98.3	Very high	66 Å²	66	46.1 Å²	46.1	43%	0.429	23%	0.229	S	C	.	.	H	α-helix	trans	-60.5	-33	175.6	-23.8	35	0	0	0	113.4	N179 L185 D186 E187	N179-P183 WeakPolarHBondContact O-CD 3.47Å; P183-L185 VanDerWaalsContact C-N 3.35Å; P183-D186 PolarHBondContact O-N 3.45Å; P183-E187 WeakPolarHBondContact O-CG 3.3Å; P183-E187 PolarHBondContact O-N 3.4Å
184	L	98.4	Very high	98.3	Very high	18 Å²	18	51.9 Å²	51.9	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-71.5	-31.8	177.5	-55.8	179.7	0	0	0	111.8	W180 V181 L182 E187 A188 L208 K211	W180-L184 HydrophobicContact CD2-CD1 4.37Å; W180-L184 HydrophobicContact CE3-CD1 4.42Å; W180-L184 HydrophobicContact CH2-CD1 3.81Å; W180-L184 HydrophobicContact CZ2-CD1 3.72Å; W180-L184 HydrophobicContact CZ3-CD1 4.15Å; V181-L184 WeakPolarHBondContact O-CA 3.31Å; V181-L184 WeakPolarHBondContact O-CB 3.42Å; V181-L184 PolarHBondContact O-N 2.82Å; L182-L184 PolarHBondContact O-N 2.85Å; L184-E187 PolarHBondContact O-N 3.36Å; L184-A188 WeakPolarHBondContact O-CB 3.38Å; L184-A188 PolarHBondContact O-N 3.03Å; L184-L208 HydrophobicContact CB-CD2 4.46Å; L184-L208 HydrophobicContact CD1-CD2 3.75Å; L184-K211 HydrophobicContact CD1-CB 3.8Å; L184-K211 HydrophobicContact CD1-CG 4.16Å; L184-K211 HydrophobicContact CD2-CB 4.23Å; L184-K211 HydrophobicContact CD2-CD 3.77Å; L184-K211 HydrophobicContact CD2-CG 3.86Å
185	L	98.6	Very high	98.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-71.2	-36.1	173.1	-61.1	-177.8	0	0	0	111.8	V181 L182 P183 A188 L189 L204 M242 L243 H246 L253	V181-L185 HydrophobicContact CG2-CG 4.37Å; V181-L185 PolarHBondContact O-N 2.79Å; L182-L185 HydrophobicContact CD2-CD1 4.39Å; L182-L185 PolarHBondContact O-N 2.98Å; L182-L185 VanDerWaalsContact O-N 3.1Å; P183-L185 VanDerWaalsContact C-N 3.35Å; L185-A188 PolarHBondContact O-N 3.39Å; L185-L189 WeakPolarHBondContact O-CB 3.24Å; L185-L189 PolarHBondContact O-N 3.35Å; L185-L204 HydrophobicContact CD2-CD1 4.31Å; L185-L204 HydrophobicContact CD2-CD2 4.35Å; L185-M242 HydrophobicContact CD1-CB 4.31Å; L185-L243 HydrophobicContact CD1-CD2 4.06Å; L185-L243 HydrophobicContact CD1-CG 4.43Å; L185-L243 HydrophobicContact CD2-CD2 3.91Å; L185-H246 HydrophobicContact CD1-CB 4Å; L185-L253 HydrophobicContact CB-CD2 4.4Å; L185-L253 HydrophobicContact CD2-CD2 4.1Å
186	D	98.4	Very high	98.1	Very high	70 Å²	70	59 Å²	59	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-45.2	171.4	-81	-46.3	0	0	0	111	L182 P183 L189 K190 H246 N250	L182-D186 PolarHBondContact O-N 3.27Å; P183-D186 PolarHBondContact O-N 3.45Å; D186-L189 PolarHBondContact O-N 2.94Å; D186-K190 WeakPolarHBondContact O-CB 3.19Å; D186-K190 PolarHBondContact O-N 3.3Å; D186-H246 PolarHBondContact N-NE2 2.82Å; D186-H246 IonicContact OD1-CD2 3.81Å; D186-H246 IonicContact OD1-NE2 3.27Å; D186-H246 PolarHBondContact OD1-NE2 3.04Å; D186-N250 PolarHBondContact OD1-ND2 2.82Å
187	E	98.3	Very high	98	Very high	73 Å²	73	58.7 Å²	58.7	34%	0.341	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-49.7	172.8	-74	177.5	-159	0	0	111.2	P183 L184 L189 K190 E191 K211	P183-E187 WeakPolarHBondContact O-CG 3.3Å; P183-E187 PolarHBondContact O-N 3.4Å; L184-E187 PolarHBondContact O-N 3.36Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.26Å; E187-K190 WeakPolarHBondContact O-CB 3.4Å; E187-K190 PolarHBondContact O-N 3.09Å; E187-E191 WeakPolarHBondContact O-CG 3.37Å; E187-E191 PolarHBondContact O-N 2.98Å; E187-K211 IonicContact OE1-NZ 3.42Å; E187-K211 IonicContact OE2-NZ 3.53Å; E187-K211 PolarHBondContact OE2-NZ 3.14Å
188	A	98.4	Very high	98	Very high	2 Å²	2	61.4 Å²	61.4	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-43	180	0	0	0	0	0	112.1	L184 L185 E191 Q192 W199 L253	L184-A188 WeakPolarHBondContact O-CB 3.38Å; L184-A188 PolarHBondContact O-N 3.03Å; L185-A188 PolarHBondContact O-N 3.39Å; A188-E191 PolarHBondContact O-N 3.34Å; A188-Q192 WeakPolarHBondContact O-CB 3.19Å; A188-Q192 PolarHBondContact O-N 3.13Å; A188-W199 HydrophobicContact CB-CD2 4.38Å; A188-W199 HydrophobicContact CB-CH2 4.49Å; A188-W199 HydrophobicContact CB-CZ2 3.73Å; A188-W199 PolarHBondContact O-NE1 3.11Å; A188-L253 HydrophobicContact CB-CD1 4.13Å
189	L	98.4	Very high	98	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-67.2	-38.2	177.9	-179.9	53	0	0	0	112.2	L185 D186 E187 Q192 K193 N250 L253	L185-L189 WeakPolarHBondContact O-CB 3.24Å; L185-L189 PolarHBondContact O-N 3.35Å; D186-L189 PolarHBondContact O-N 2.94Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.26Å; L189-Q192 PolarHBondContact O-N 3.04Å; L189-K193 HydrophobicContact CD1-CD 4.04Å; L189-K193 HydrophobicContact CD1-CG 4.12Å; L189-K193 HydrophobicContact CG-CD 4.17Å; L189-K193 WeakPolarHBondContact O-CB 3.32Å; L189-K193 WeakPolarHBondContact O-CG 3.36Å; L189-K193 PolarHBondContact O-N 2.95Å; L189-N250 HydrophobicContact CD2-CB 3.87Å; L189-N250 WeakPolarHBondContact CD2-O 3.33Å; L189-N250 WeakPolarHBondContact CD2-OD1 3.48Å; L189-L253 HydrophobicContact CB-CB 4.41Å; L189-L253 HydrophobicContact CB-CD1 4.38Å; L189-L253 HydrophobicContact CD1-CB 4.08Å; L189-L253 VanDerWaalsContact CD1-N 3.34Å
190	K	98.3	Very high	98	Very high	119 Å²	119	53.6 Å²	53.6	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-50.4	173.4	-175.6	-177.6	176.6	-174.6	0	110.7	D186 E187 Q192 K193 E194	D186-K190 WeakPolarHBondContact O-CB 3.19Å; D186-K190 PolarHBondContact O-N 3.3Å; E187-K190 WeakPolarHBondContact O-CB 3.4Å; E187-K190 PolarHBondContact O-N 3.09Å; K190-Q192 VanDerWaalsContact C-N 3.28Å; K190-Q192 PolarHBondContact O-N 3.01Å; K190-K193 PolarHBondContact O-N 3.46Å; K190-K193 VanDerWaalsContact O-N 3.15Å; K190-E194 WeakPolarHBondContact CE-OE1 3.43Å; K190-E194 WeakPolarHBondContact CE-OE2 3.1Å; K190-E194 VanDerWaalsContact CG-CD 3.49Å; K190-E194 HydrophobicContact CG-CG 4.21Å; K190-E194 WeakPolarHBondContact CG-OE1 3.47Å; K190-E194 WeakPolarHBondContact O-CB 3.48Å; K190-E194 WeakPolarHBondContact O-CG 3.13Å; K190-E194 PolarHBondContact O-N 3.46Å
191	E	98.2	Very high	98	Very high	44 Å²	44	51.2 Å²	51.2	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-40.1	176.7	-69.6	177.6	-163.8	0	0	111.6	E187 A188 N195 W199 R207	E187-E191 WeakPolarHBondContact O-CG 3.37Å; E187-E191 PolarHBondContact O-N 2.98Å; A188-E191 PolarHBondContact O-N 3.34Å; E191-N195 VanDerWaalsContact O-CB 3.3Å; E191-N195 WeakPolarHBondContact O-CB 3.48Å; E191-N195 PolarHBondContact O-N 2.97Å; E191-W199 HydrophobicContact CB-CZ2 4.36Å; E191-W199 VanDerWaalsContact OE2-CZ2 3.24Å; E191-W199 WeakPolarHBondContact OE2-CZ2 3.48Å; E191-R207 IonicContact OE1-CZ 2.75Å; E191-R207 IonicContact OE1-NH1 3.65Å; E191-R207 PolarHBondContact OE1-NH1 2.98Å; E191-R207 IonicContact OE1-NH2 2.95Å; E191-R207 PolarHBondContact OE1-NH2 3.06Å; E191-R207 IonicContact OE2-CZ 3.49Å; E191-R207 IonicContact OE2-NH1 2.82Å; E191-R207 IonicContact OE2-NH2 3.75Å; E191-R207 PolarHBondContact OE2-NH2 3.25Å
192	Q	98.4	Very high	98	Very high	33 Å²	33	51.3 Å²	51.3	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-45.8	175.7	-173.1	-175.4	-73	0	0	112	A188 L189 K190 N196 F197 G252 K254	A188-Q192 WeakPolarHBondContact O-CB 3.19Å; A188-Q192 PolarHBondContact O-N 3.13Å; L189-Q192 PolarHBondContact O-N 3.04Å; K190-Q192 VanDerWaalsContact C-N 3.28Å; K190-Q192 PolarHBondContact O-N 3.01Å; Q192-N196 VanDerWaalsContact O-CA 3.22Å; Q192-N196 WeakPolarHBondContact O-CA 3.34Å; Q192-N196 PolarHBondContact O-N 3.2Å; Q192-F197 WeakPolarHBondContact CG-O 3.13Å; Q192-F197 PolarHBondContact O-N 2.69Å; Q192-G252 PolarHBondContact NE2-O 3.01Å; Q192-K254 PolarHBondContact OE1-O 3.08Å
193	K	97.5	Very high	98.1	Very high	120 Å²	120	50.9 Å²	50.9	52%	0.522	26%	0.257	S	S	.	.	H	α-helix	trans	-72.9	-43	-177	-75.9	174.4	176.4	167.4	0	112.4	L189 K190 N250 P251	L189-K193 HydrophobicContact CD1-CD 4.04Å; L189-K193 HydrophobicContact CD1-CG 4.12Å; L189-K193 HydrophobicContact CG-CD 4.17Å; L189-K193 WeakPolarHBondContact O-CB 3.32Å; L189-K193 WeakPolarHBondContact O-CG 3.36Å; L189-K193 PolarHBondContact O-N 2.95Å; K190-K193 PolarHBondContact O-N 3.46Å; K190-K193 VanDerWaalsContact O-N 3.15Å; K193-N250 PolarHBondContact NZ-OD1 2.92Å; K193-P251 PolarHBondContact NZ-O 2.93Å
194	E	97.9	Very high	98.1	Very high	129 Å²	129	47.9 Å²	47.9	60%	0.603	24%	0.237	S	C	*	.	H	α-helix	trans	-82.2	-37.8	-173.5	-67.4	-179.9	176.2	0	0	112.4	K190	K190-E194 WeakPolarHBondContact CE-OE1 3.43Å; K190-E194 WeakPolarHBondContact CE-OE2 3.1Å; K190-E194 VanDerWaalsContact CG-CD 3.49Å; K190-E194 HydrophobicContact CG-CG 4.21Å; K190-E194 WeakPolarHBondContact CG-OE1 3.47Å; K190-E194 WeakPolarHBondContact O-CB 3.48Å; K190-E194 WeakPolarHBondContact O-CG 3.13Å; K190-E194 PolarHBondContact O-N 3.46Å
195	N	97.2	Very high	98.1	Very high	112 Å²	112	47.1 Å²	47.1	60%	0.599	23%	0.233	S	C	*	.	H	α-helix	trans	-106.8	4	-174	-54.1	-37.6	0	0	0	113.3	E191 F197	E191-N195 VanDerWaalsContact O-CB 3.3Å; E191-N195 WeakPolarHBondContact O-CB 3.48Å; E191-N195 PolarHBondContact O-N 2.97Å; N195-F197 HydrophobicContact CB-CB 4.44Å; N195-F197 PolarHBondContact O-N 3.4Å
196	N	95.3	Very high	98.1	Very high	150 Å²	150	48.7 Å²	48.7	80%	0.802	24%	0.24	S	C	*	.			trans	51.5	35.9	-170.6	-165	43.5	0	0	0	112.1	Q192 S198	Q192-N196 VanDerWaalsContact O-CA 3.22Å; Q192-N196 WeakPolarHBondContact O-CA 3.34Å; Q192-N196 PolarHBondContact O-N 3.2Å; N196-S198 PolarHBondContact O-N 2.81Å
197	F	97.4	Very high	98.1	Very high	55 Å²	55	47.7 Å²	47.7	24%	0.241	23%	0.23	C	C	.	.			trans	-77.2	119.9	-174.8	-172.4	-91.7	0	0	0	111	F87 Q192 N195 W199 K203	F87-F197 HydrophobicContact CE1-CE2 4.15Å; F87-F197 AromaticContact CE1-CZ 3.67Å; F87-F197 HydrophobicContact CE1-CZ 3.67Å; F87-F197 HydrophobicContact CZ-CE1 4.14Å; F87-F197 HydrophobicContact CZ-CE2 4.4Å; F87-F197 AromaticContact CZ-CZ 3.49Å; F87-F197 HydrophobicContact CZ-CZ 3.49Å; F87-F197 VanDerWaalsContact CZ-CZ 3.49Å; Q192-F197 WeakPolarHBondContact CG-O 3.13Å; Q192-F197 PolarHBondContact O-N 2.69Å; N195-F197 HydrophobicContact CB-CB 4.44Å; N195-F197 PolarHBondContact O-N 3.4Å; F197-W199 AromaticContact CD1-CD2 3.76Å; F197-W199 HydrophobicContact CD1-CD2 3.76Å; F197-W199 AromaticContact CD1-CE2 3.58Å; F197-W199 HydrophobicContact CD1-CE3 4.33Å; F197-W199 HydrophobicContact CD1-CG 4.02Å; F197-W199 HydrophobicContact CD1-CZ2 4.01Å; F197-W199 AromaticContact CD1-NE1 3.75Å; F197-W199 AromaticContact CE1-CD2 3.65Å; F197-W199 HydrophobicContact CE1-CD2 3.65Å; F197-W199 AromaticContact CE1-CE2 3.79Å; F197-W199 AromaticContact CE1-CE3 3.74Å; F197-W199 HydrophobicContact CE1-CE3 3.74Å; F197-W199 HydrophobicContact CE1-CG 4.21Å; F197-W199 HydrophobicContact CE1-CH2 4.1Å; F197-W199 HydrophobicContact CE1-CZ2 4.03Å; F197-W199 AromaticContact CE1-CZ3 3.96Å; F197-W199 HydrophobicContact CE1-CZ3 3.96Å; F197-W199 PolarHBondContact O-N 3.43Å; F197-K203 HydrophobicContact CE1-CD 3.92Å; F197-K203 HydrophobicContact CZ-CD 3.88Å
198	S	97.9	Very high	98.1	Very high	58 Å²	58	44.2 Å²	44.2	41%	0.406	21%	0.214	S	C	.	.			trans	-81.8	110.8	176.3	-171.8	0	0	0	0	110.6	N196 K203	N196-S198 PolarHBondContact O-N 2.81Å; S198-K203 VanDerWaalsContact O-CD 3.29Å; S198-K203 WeakPolarHBondContact O-CD 3.5Å; S198-K203 PolarHBondContact O-NZ 3.28Å
199	W	98.4	Very high	98.1	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-79.4	147.5	173.2	-72.1	103.4	0	0	0	111.5	F87 A188 E191 F197 K203 L204 R207 L253 L255 D256	F87-W199 HydrophobicContact CZ-CZ3 4.23Å; A188-W199 HydrophobicContact CB-CD2 4.38Å; A188-W199 HydrophobicContact CB-CH2 4.49Å; A188-W199 HydrophobicContact CB-CZ2 3.73Å; A188-W199 PolarHBondContact O-NE1 3.11Å; E191-W199 HydrophobicContact CB-CZ2 4.36Å; E191-W199 VanDerWaalsContact OE2-CZ2 3.24Å; E191-W199 WeakPolarHBondContact OE2-CZ2 3.48Å; F197-W199 AromaticContact CD1-CD2 3.76Å; F197-W199 HydrophobicContact CD1-CD2 3.76Å; F197-W199 AromaticContact CD1-CE2 3.58Å; F197-W199 HydrophobicContact CD1-CE3 4.33Å; F197-W199 HydrophobicContact CD1-CG 4.02Å; F197-W199 HydrophobicContact CD1-CZ2 4.01Å; F197-W199 AromaticContact CD1-NE1 3.75Å; F197-W199 AromaticContact CE1-CD2 3.65Å; F197-W199 HydrophobicContact CE1-CD2 3.65Å; F197-W199 AromaticContact CE1-CE2 3.79Å; F197-W199 AromaticContact CE1-CE3 3.74Å; F197-W199 HydrophobicContact CE1-CE3 3.74Å; F197-W199 HydrophobicContact CE1-CG 4.21Å; F197-W199 HydrophobicContact CE1-CH2 4.1Å; F197-W199 HydrophobicContact CE1-CZ2 4.03Å; F197-W199 AromaticContact CE1-CZ3 3.96Å; F197-W199 HydrophobicContact CE1-CZ3 3.96Å; F197-W199 PolarHBondContact O-N 3.43Å; W199-K203 HydrophobicContact CE3-CB 3.75Å; W199-K203 HydrophobicContact CZ3-CB 4.04Å; W199-L204 HydrophobicContact CE3-CB 4.37Å; W199-R207 HydrophobicContact CH2-CB 4.45Å; W199-R207 HydrophobicContact CZ3-CB 4.35Å; W199-L253 HydrophobicContact CG-CD1 4.48Å; W199-L255 HydrophobicContact CB-CD2 3.53Å; W199-L255 HydrophobicContact CG-CD2 4.46Å; W199-L255 CarbonylContact O-C 3.57Å; W199-L255 WeakPolarHBondContact O-CA 3.46Å; W199-D256 PolarHBondContact O-N 2.85Å
200	T	98.6	Very high	98.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.233	C	C	.	.			trans	-131.2	163.9	170.9	72.9	0	0	0	0	108.6	H202 K203 L204 D256 E259 D260	T200-H202 VanDerWaalsContact C-N 3.33Å; T200-H202 PolarHBondContact O-N 3.21Å; T200-K203 HydrophobicContact CG2-CD 4Å; T200-K203 PolarHBondContact O-N 3.46Å; T200-K203 WeakPolarHBondContact OG1-CG 3.31Å; T200-K203 PolarHBondContact OG1-N 3.29Å; T200-L204 PolarHBondContact O-N 2.83Å; T200-D256 WeakPolarHBondContact CA-O 3.35Å; T200-D256 VanDerWaalsContact CB-O 3.22Å; T200-D256 WeakPolarHBondContact CB-O 3.46Å; T200-D256 WeakPolarHBondContact CG2-O 3.43Å; T200-E259 HydrophobicContact CG2-CB 3.73Å; T200-E259 HydrophobicContact CG2-CG 3.99Å; T200-E259 WeakPolarHBondContact CG2-OE2 3.31Å; T200-D260 WeakPolarHBondContact CB-OD1 3.23Å; T200-D260 PolarHBondContact OG1-OD1 2.93Å
201	P	98.6	Very high	98.1	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-50.2	-50.2	171.9	-29.1	35.9	0	0	0	113.2	K203 L204 I205 C231 L234 D256 I257 D260	P201-K203 PolarHBondContact O-N 3.44Å; P201-L204 PolarHBondContact O-N 3.13Å; P201-I205 HydrophobicContact CB-CD1 4.48Å; P201-I205 WeakPolarHBondContact O-CB 3.28Å; P201-I205 VanDerWaalsContact O-CD1 3.3Å; P201-I205 WeakPolarHBondContact O-CD1 3.37Å; P201-I205 WeakPolarHBondContact O-CG1 3.42Å; P201-I205 PolarHBondContact O-N 3.38Å; P201-C231 WeakPolarHBondContact CB-O 3.46Å; P201-L234 HydrophobicContact CB-CB 4.07Å; P201-L234 HydrophobicContact CB-CD2 3.78Å; P201-L234 HydrophobicContact CB-CG 4.49Å; P201-L234 HydrophobicContact CG-CB 4.31Å; P201-L234 HydrophobicContact CG-CD2 4.45Å; P201-D256 VanDerWaalsContact CD-O 3.31Å; P201-D256 WeakPolarHBondContact CD-O 3.49Å; P201-I257 HydrophobicContact CG-CG2 4.12Å; P201-D260 WeakPolarHBondContact CB-OD2 3.37Å; P201-D260 VanDerWaalsContact CD-OD2 3.32Å; P201-D260 WeakPolarHBondContact CD-OD2 3.42Å
202	H	98.3	Very high	98.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-54.9	-48.6	177	168.1	56.2	0	0	0	112.5	F85 F88 T200 L204 I205 Y206 V229 F230 D260	F85-H202 AromaticContact CD1-NE2 3.8Å; F88-H202 AromaticContact CE1-CE1 3.78Å; F88-H202 AromaticContact CE1-NE2 3.95Å; F88-H202 AromaticContact CZ-CE1 3.73Å; T200-H202 VanDerWaalsContact C-N 3.33Å; T200-H202 PolarHBondContact O-N 3.21Å; H202-L204 PolarHBondContact O-N 3.05Å; H202-I205 PolarHBondContact O-N 2.86Å; H202-Y206 WeakPolarHBondContact O-CB 3.35Å; H202-Y206 PolarHBondContact O-N 3.37Å; H202-V229 WeakPolarHBondContact CA-O 3.49Å; H202-V229 PolarHBondContact ND1-O 3.5Å; H202-F230 HydrophobicContact CB-CD1 4.14Å; H202-F230 HydrophobicContact CB-CE1 4.17Å; H202-D260 WeakPolarHBondContact CB-OD1 3.37Å; H202-D260 VanDerWaalsContact CB-OD2 3.31Å; H202-D260 WeakPolarHBondContact CB-OD2 3.43Å; H202-D260 PolarHBondContact N-OD2 3.22Å
203	K	98.6	Very high	98.1	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-43.8	-178.9	-72	170.2	-178.4	168.6	0	111.7	P86 F87 F197 S198 W199 T200 P201 Y206 R207 E259	P86-K203 HydrophobicContact CB-CD 4.39Å; P86-K203 HydrophobicContact CB-CG 4.22Å; P86-K203 HydrophobicContact CG-CD 4.28Å; P86-K203 HydrophobicContact CG-CG 4.08Å; F87-K203 HydrophobicContact CD2-CG 4.45Å; F87-K203 HydrophobicContact CE2-CB 3.58Å; F87-K203 HydrophobicContact CE2-CG 3.72Å; F87-K203 HydrophobicContact CZ-CB 4.05Å; F87-K203 HydrophobicContact CZ-CG 4.12Å; F197-K203 HydrophobicContact CE1-CD 3.92Å; F197-K203 HydrophobicContact CZ-CD 3.88Å; S198-K203 VanDerWaalsContact O-CD 3.29Å; S198-K203 WeakPolarHBondContact O-CD 3.5Å; S198-K203 PolarHBondContact O-NZ 3.28Å; W199-K203 HydrophobicContact CE3-CB 3.75Å; W199-K203 HydrophobicContact CZ3-CB 4.04Å; T200-K203 HydrophobicContact CG2-CD 4Å; T200-K203 PolarHBondContact O-N 3.46Å; T200-K203 WeakPolarHBondContact OG1-CG 3.31Å; T200-K203 PolarHBondContact OG1-N 3.29Å; P201-K203 PolarHBondContact O-N 3.44Å; K203-Y206 PolarHBondContact O-N 3.18Å; K203-R207 PolarHBondContact O-N 2.91Å; K203-R207 VanDerWaalsContact O-N 3.09Å; K203-E259 WeakPolarHBondContact CE-OE1 3.5Å; K203-E259 IonicContact NZ-OE1 2.81Å; K203-E259 PolarHBondContact NZ-OE1 3.2Å; K203-E259 IonicContact NZ-OE2 3.27Å; K203-E259 PolarHBondContact NZ-OE2 2.93Å
204	L	98.7	Very high	98.2	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-46.5	177.6	-179.3	58.6	0	0	0	110.5	L185 W199 T200 P201 H202 Y206 R207 L208 L234 L255	L185-L204 HydrophobicContact CD2-CD1 4.31Å; L185-L204 HydrophobicContact CD2-CD2 4.35Å; W199-L204 HydrophobicContact CE3-CB 4.37Å; T200-L204 PolarHBondContact O-N 2.83Å; P201-L204 PolarHBondContact O-N 3.13Å; H202-L204 PolarHBondContact O-N 3.05Å; L204-Y206 VanDerWaalsContact C-N 3.32Å; L204-Y206 PolarHBondContact O-N 3.32Å; L204-R207 WeakPolarHBondContact O-CB 3.3Å; L204-R207 PolarHBondContact O-N 3.19Å; L204-R207 VanDerWaalsContact O-N 3.13Å; L204-L208 HydrophobicContact CD1-CG 4.3Å; L204-L208 HydrophobicContact CG-CD1 4.23Å; L204-L208 HydrophobicContact CG-CG 4.4Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.37Å; L204-L208 PolarHBondContact O-N 2.84Å; L204-L234 HydrophobicContact CD2-CD2 4.13Å; L204-L255 HydrophobicContact CD2-CD1 4.04Å; L204-L255 HydrophobicContact CD2-CD2 4.17Å
205	I	98.8	Very high	98.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-43.4	177.9	-67.2	160.4	0	0	0	111.3	I133 P201 H202 R207 L208 G209 L219 V229 C231 L234	I133-I205 HydrophobicContact CD1-CD1 3.76Å; I133-I205 HydrophobicContact CD1-CG1 4.09Å; I133-I205 HydrophobicContact CD1-CG2 4Å; I133-I205 HydrophobicContact CG1-CD1 3.94Å; I133-I205 HydrophobicContact CG1-CG1 4.18Å; I133-I205 HydrophobicContact CG2-CG1 3.97Å; I133-I205 HydrophobicContact CG2-CG2 4.45Å; P201-I205 HydrophobicContact CB-CD1 4.48Å; P201-I205 WeakPolarHBondContact O-CB 3.28Å; P201-I205 VanDerWaalsContact O-CD1 3.3Å; P201-I205 WeakPolarHBondContact O-CD1 3.37Å; P201-I205 WeakPolarHBondContact O-CG1 3.42Å; P201-I205 PolarHBondContact O-N 3.38Å; H202-I205 PolarHBondContact O-N 2.86Å; I205-R207 VanDerWaalsContact C-N 3.35Å; I205-R207 PolarHBondContact O-N 2.92Å; I205-L208 PolarHBondContact O-N 3.16Å; I205-G209 PolarHBondContact O-N 3.05Å; I205-L219 HydrophobicContact CG2-CD1 4.24Å; I205-L219 HydrophobicContact CG2-CD2 3.69Å; I205-L219 HydrophobicContact CG2-CG 4.49Å; I205-V229 HydrophobicContact CD1-CG1 4.43Å; I205-V229 HydrophobicContact CG2-CB 3.76Å; I205-V229 HydrophobicContact CG2-CG1 3.96Å; I205-V229 HydrophobicContact CG2-CG2 4.29Å; I205-C231 HydrophobicContact CD1-CB 3.63Å; I205-L234 HydrophobicContact CD1-CD1 4.08Å; I205-L234 HydrophobicContact CG1-CD1 4.17Å; I205-L234 HydrophobicContact CG1-CD2 4.35Å
206	Y	98.7	Very high	98.3	Very high	33 Å²	33	45.9 Å²	45.9	13%	0.129	22%	0.224	C	C	.	.	H	α-helix	trans	-56.4	-49.6	174.6	176.4	-90	0	0	0	110.9	F87 F88 H202 K203 L204 L208 G209 E210 A223	F87-Y206 HydrophobicContact CB-CD1 3.91Å; F87-Y206 HydrophobicContact CB-CE1 3.58Å; F87-Y206 HydrophobicContact CB-CE2 4.43Å; F87-Y206 HydrophobicContact CB-CG 4.47Å; F87-Y206 AromaticContact CD2-CD1 3.24Å; F87-Y206 HydrophobicContact CD2-CD1 3.24Å; F87-Y206 AromaticContact CD2-CE1 3.81Å; F87-Y206 HydrophobicContact CD2-CE1 3.81Å; F87-Y206 AromaticContact CD2-CG 3.75Å; F87-Y206 HydrophobicContact CD2-CG 3.75Å; F87-Y206 AromaticContact CE2-CD1 3.89Å; F87-Y206 HydrophobicContact CE2-CD1 3.89Å; F87-Y206 HydrophobicContact CE2-CG 4.47Å; F87-Y206 AromaticContact CG-CD1 3.8Å; F87-Y206 HydrophobicContact CG-CD1 3.8Å; F87-Y206 AromaticContact CG-CE1 3.86Å; F87-Y206 HydrophobicContact CG-CE1 3.86Å; F88-Y206 AromaticContact CD1-CD2 3.66Å; F88-Y206 HydrophobicContact CD1-CD2 3.66Å; F88-Y206 AromaticContact CD1-CE2 3.36Å; F88-Y206 HydrophobicContact CD1-CE2 3.36Å; F88-Y206 AromaticContact CE1-CD2 3.46Å; F88-Y206 HydrophobicContact CE1-CD2 3.46Å; F88-Y206 VanDerWaalsContact CE1-CD2 3.46Å; F88-Y206 AromaticContact CE1-CE2 3.67Å; F88-Y206 HydrophobicContact CE1-CE2 3.67Å; F88-Y206 HydrophobicContact CE1-CG 4.36Å; F88-Y206 HydrophobicContact CG-CE2 4.46Å; H202-Y206 WeakPolarHBondContact O-CB 3.35Å; H202-Y206 PolarHBondContact O-N 3.37Å; K203-Y206 PolarHBondContact O-N 3.18Å; L204-Y206 VanDerWaalsContact C-N 3.32Å; L204-Y206 PolarHBondContact O-N 3.32Å; Y206-L208 VanDerWaalsContact C-N 3.34Å; Y206-L208 PolarHBondContact O-N 2.87Å; Y206-G209 PolarHBondContact O-N 3.33Å; Y206-E210 HydrophobicContact CD1-CG 4.33Å; Y206-E210 HydrophobicContact CE1-CG 3.83Å; Y206-E210 WeakPolarHBondContact CE1-OE1 3.37Å; Y206-E210 WeakPolarHBondContact CE1-OE2 3.32Å; Y206-E210 VanDerWaalsContact CZ-CD 3.49Å; Y206-E210 PolarHBondContact O-N 2.77Å; Y206-E210 PolarHBondContact OH-OE1 3.44Å; Y206-A223 HydrophobicContact CD2-CB 3.87Å; Y206-A223 HydrophobicContact CE2-CB 3.8Å
207	R	98.5	Very high	98.4	Very high	48 Å²	48	38.8 Å²	38.8	18%	0.181	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-42	177.7	-177.1	65.7	69.8	105.3	12.4	112	E191 W199 K203 L204 I205 G209 E210 K211	E191-R207 IonicContact OE1-CZ 2.75Å; E191-R207 IonicContact OE1-NH1 3.65Å; E191-R207 PolarHBondContact OE1-NH1 2.98Å; E191-R207 IonicContact OE1-NH2 2.95Å; E191-R207 PolarHBondContact OE1-NH2 3.06Å; E191-R207 IonicContact OE2-CZ 3.49Å; E191-R207 IonicContact OE2-NH1 2.82Å; E191-R207 IonicContact OE2-NH2 3.75Å; E191-R207 PolarHBondContact OE2-NH2 3.25Å; W199-R207 HydrophobicContact CH2-CB 4.45Å; W199-R207 HydrophobicContact CZ3-CB 4.35Å; K203-R207 PolarHBondContact O-N 2.91Å; K203-R207 VanDerWaalsContact O-N 3.09Å; L204-R207 WeakPolarHBondContact O-CB 3.3Å; L204-R207 PolarHBondContact O-N 3.19Å; L204-R207 VanDerWaalsContact O-N 3.13Å; I205-R207 VanDerWaalsContact C-N 3.35Å; I205-R207 PolarHBondContact O-N 2.92Å; R207-G209 VanDerWaalsContact C-N 3.35Å; R207-E210 PolarHBondContact O-N 3.06Å; R207-K211 HydrophobicContact CG-CG 4.28Å; R207-K211 WeakPolarHBondContact O-CB 3.38Å; R207-K211 WeakPolarHBondContact O-CG 3.15Å; R207-K211 PolarHBondContact O-N 2.77Å
208	L	98.7	Very high	98.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-39.3	177.6	-65	178.6	0	0	0	111.7	L137 W180 V181 L184 L204 I205 Y206 K211 I212 L239	L137-L208 HydrophobicContact CD1-CB 3.99Å; L137-L208 HydrophobicContact CD1-CD1 3.95Å; L137-L208 HydrophobicContact CD2-CB 4.46Å; W180-L208 HydrophobicContact CH2-CB 4.17Å; W180-L208 HydrophobicContact CH2-CD2 3.89Å; W180-L208 HydrophobicContact CZ3-CD2 3.96Å; V181-L208 HydrophobicContact CG2-CD2 3.95Å; L184-L208 HydrophobicContact CB-CD2 4.46Å; L184-L208 HydrophobicContact CD1-CD2 3.75Å; L204-L208 HydrophobicContact CD1-CG 4.3Å; L204-L208 HydrophobicContact CG-CD1 4.23Å; L204-L208 HydrophobicContact CG-CG 4.4Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.37Å; L204-L208 PolarHBondContact O-N 2.84Å; I205-L208 PolarHBondContact O-N 3.16Å; Y206-L208 VanDerWaalsContact C-N 3.34Å; Y206-L208 PolarHBondContact O-N 2.87Å; L208-K211 PolarHBondContact O-N 2.9Å; L208-I212 PolarHBondContact O-N 2.86Å; L208-L239 HydrophobicContact CD1-CD1 4.44Å; L208-L239 HydrophobicContact CD1-CD2 4.06Å
209	G	98.7	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.7	-41	173.5	0	0	0	0	0	112.9	I205 Y206 R207 I212 Y220	I205-G209 PolarHBondContact O-N 3.05Å; Y206-G209 PolarHBondContact O-N 3.33Å; R207-G209 VanDerWaalsContact C-N 3.35Å; G209-I212 WeakPolarHBondContact O-CG2 3.42Å; G209-Y220 VanDerWaalsContact O-CA 3.29Å; G209-Y220 WeakPolarHBondContact O-CA 3.36Å
210	E	98.2	Very high	98.6	Very high	88 Å²	88	34.6 Å²	34.6	41%	0.411	16%	0.16	S	C	.	.	H	α-helix	trans	-64.7	-44.2	172.8	-69.9	-172.4	129.1	0	0	111.9	Y206 R207 D213 A223	Y206-E210 HydrophobicContact CD1-CG 4.33Å; Y206-E210 HydrophobicContact CE1-CG 3.83Å; Y206-E210 WeakPolarHBondContact CE1-OE1 3.37Å; Y206-E210 WeakPolarHBondContact CE1-OE2 3.32Å; Y206-E210 VanDerWaalsContact CZ-CD 3.49Å; Y206-E210 PolarHBondContact O-N 2.77Å; Y206-E210 PolarHBondContact OH-OE1 3.44Å; R207-E210 PolarHBondContact O-N 3.06Å; E210-D213 PolarHBondContact O-N 2.78Å; E210-A223 HydrophobicContact CG-CB 3.82Å
211	K	98.6	Very high	98.6	Very high	81 Å²	81	35.8 Å²	35.8	35%	0.352	17%	0.165	S	C	.	.	H	α-helix	trans	-75.1	-24.5	-173	-70.1	-77	-168.6	153	0	114.1	W180 L184 E187 R207 L208 D213	W180-K211 HydrophobicContact CZ2-CB 4.1Å; L184-K211 HydrophobicContact CD1-CB 3.8Å; L184-K211 HydrophobicContact CD1-CG 4.16Å; L184-K211 HydrophobicContact CD2-CB 4.23Å; L184-K211 HydrophobicContact CD2-CD 3.77Å; L184-K211 HydrophobicContact CD2-CG 3.86Å; E187-K211 IonicContact OE1-NZ 3.42Å; E187-K211 IonicContact OE2-NZ 3.53Å; E187-K211 PolarHBondContact OE2-NZ 3.14Å; R207-K211 HydrophobicContact CG-CG 4.28Å; R207-K211 WeakPolarHBondContact O-CB 3.38Å; R207-K211 WeakPolarHBondContact O-CG 3.15Å; R207-K211 PolarHBondContact O-N 2.77Å; L208-K211 PolarHBondContact O-N 2.9Å; K211-D213 PolarHBondContact O-N 3.12Å
212	I	98.6	Very high	98.6	Very high	18 Å²	18	35.7 Å²	35.7	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-71.7	-24.7	178.1	-162.4	64.1	0	0	0	111.5	L137 C140 L141 W180 L208 G209 N214	L137-I212 HydrophobicContact CD2-CB 3.81Å; L137-I212 HydrophobicContact CD2-CD1 4.41Å; L137-I212 HydrophobicContact CD2-CG1 3.99Å; L137-I212 HydrophobicContact CD2-CG2 3.96Å; C140-I212 HydrophobicContact CB-CD1 3.98Å; C140-I212 HydrophobicContact CB-CG1 3.79Å; L141-I212 HydrophobicContact CD2-CD1 4.13Å; W180-I212 HydrophobicContact CD2-CD1 4.26Å; W180-I212 HydrophobicContact CH2-CB 4.21Å; W180-I212 HydrophobicContact CH2-CD1 4.11Å; W180-I212 HydrophobicContact CZ2-CB 3.82Å; W180-I212 HydrophobicContact CZ2-CD1 3.61Å; W180-I212 HydrophobicContact CZ2-CG1 4.3Å; L208-I212 PolarHBondContact O-N 2.86Å; G209-I212 WeakPolarHBondContact O-CG2 3.42Å; I212-N214 HydrophobicContact CG1-CB 4.41Å; I212-N214 WeakPolarHBondContact O-CB 3.43Å; I212-N214 PolarHBondContact O-N 2.85Å
213	D	97	Very high	98.6	Very high	122 Å²	122	35.9 Å²	35.9	65%	0.652	17%	0.167	S	C	*	.			trans	40.5	42.7	175.4	-165.6	29.1	0	0	0	114.3	E210 K211 Y220	E210-D213 PolarHBondContact O-N 2.78Å; K211-D213 PolarHBondContact O-N 3.12Å; D213-Y220 WeakPolarHBondContact OD1-CE2 3.42Å
214	N	98.7	Very high	98.6	Very high	44 Å²	44	41.1 Å²	41.1	24%	0.235	19%	0.189	C	C	.	.			trans	-128.2	118.8	-176.4	-172.7	-29.6	0	0	0	110	C140 I212 E216 S217 Y220	C140-N214 HydrophobicContact CB-CB 4.14Å; C140-N214 VanDerWaalsContact SG-CG 3.57Å; I212-N214 HydrophobicContact CG1-CB 4.41Å; I212-N214 WeakPolarHBondContact O-CB 3.43Å; I212-N214 PolarHBondContact O-N 2.85Å; N214-E216 PolarHBondContact O-N 2.83Å; N214-E216 WeakPolarHBondContact OD1-CB 3.37Å; N214-E216 PolarHBondContact OD1-N 3.1Å; N214-S217 WeakPolarHBondContact O-CB 3.25Å; N214-S217 PolarHBondContact O-N 2.91Å; N214-Y220 VanDerWaalsContact O-CB 3.29Å; N214-Y220 WeakPolarHBondContact O-CB 3.13Å
215	K	98.7	Very high	98.6	Very high	137 Å²	137	42 Å²	42	60%	0.596	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.6	-179.9	-66.6	-178.5	-179.3	175.1	0	114.2	R115 Y220 W221	R115-K215 WeakPolarHBondContact CD-O 3.45Å; K215-Y220 HydrophobicContact CB-CE1 4.39Å; K215-Y220 HydrophobicContact CG-CE1 3.81Å; K215-W221 HydrophobicContact CB-CZ2 4.09Å; K215-W221 HydrophobicContact CD-CZ2 4.33Å; K215-W221 HydrophobicContact CG-CZ2 4.02Å; K215-W221 PolarHBondContact O-NE1 2.89Å
216	E	98.7	Very high	98.6	Very high	106 Å²	106	42.8 Å²	42.8	50%	0.495	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-16.9	172.2	-62.1	-173.1	165.6	0	0	113.1	R111 R115 N214	R111-E216 PolarHBondContact NH1-O 2.95Å; R111-E216 PolarHBondContact NH2-O 3.22Å; R115-E216 WeakPolarHBondContact CD-O 3.3Å; N214-E216 PolarHBondContact O-N 2.83Å; N214-E216 WeakPolarHBondContact OD1-CB 3.37Å; N214-E216 PolarHBondContact OD1-N 3.1Å
217	S	98.9	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.195	C	C	.	.			trans	-79.4	134.6	-179.4	163.7	0	0	0	0	112.2	D136 N214 L219 Y220 W221	D136-S217 WeakPolarHBondContact OD2-CB 3.49Å; D136-S217 PolarHBondContact OD2-OG 2.71Å; N214-S217 WeakPolarHBondContact O-CB 3.25Å; N214-S217 PolarHBondContact O-N 2.91Å; S217-L219 VanDerWaalsContact C-N 3.33Å; S217-L219 PolarHBondContact OG-N 2.78Å; S217-Y220 PolarHBondContact OG-N 3.18Å; S217-W221 VanDerWaalsContact O-CD1 3.22Å; S217-W221 PolarHBondContact O-N 2.95Å
218	V	98.9	Very high	98.6	Very high	1 Å²	1	39 Å²	39	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-45.1	167.2	177.4	0	0	0	0	110.1	I106 R111 I114 R115 V118 L126 D136 W221 A222	I106-V218 HydrophobicContact CD1-CG2 4.14Å; R111-V218 HydrophobicContact CG-CG2 4.05Å; I114-V218 HydrophobicContact CB-CG2 4.37Å; I114-V218 HydrophobicContact CG2-CG1 3.79Å; I114-V218 HydrophobicContact CG2-CG2 4.04Å; R115-V218 HydrophobicContact CB-CG2 3.85Å; V118-V218 HydrophobicContact CB-CG1 4.47Å; V118-V218 HydrophobicContact CG2-CG1 4.02Å; L126-V218 HydrophobicContact CD1-CG1 3.91Å; D136-V218 VanDerWaalsContact CG-N 3.32Å; D136-V218 PolarHBondContact OD1-N 2.88Å; D136-V218 PolarHBondContact OD2-N 3.39Å; V218-W221 PolarHBondContact O-N 3.33Å; V218-A222 WeakPolarHBondContact O-CB 3.42Å; V218-A222 PolarHBondContact O-N 3.49Å
219	L	98.9	Very high	98.6	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-68.5	-35.4	-176	-59.5	-179.8	0	0	0	113	I133 D136 L137 I205 S217 A222 A223 V229	I133-L219 HydrophobicContact CB-CD1 4.44Å; I133-L219 HydrophobicContact CD1-CD1 4.5Å; I133-L219 HydrophobicContact CD1-CD2 4Å; I133-L219 HydrophobicContact CG2-CD1 3.69Å; D136-L219 HydrophobicContact CB-CG 4.46Å; D136-L219 WeakPolarHBondContact OD2-CG 3.38Å; D136-L219 PolarHBondContact OD2-N 2.93Å; L137-L219 HydrophobicContact CD1-CD1 4.07Å; L137-L219 HydrophobicContact CD2-CD1 3.88Å; L137-L219 HydrophobicContact CG-CD1 3.8Å; I205-L219 HydrophobicContact CG2-CD1 4.24Å; I205-L219 HydrophobicContact CG2-CD2 3.69Å; I205-L219 HydrophobicContact CG2-CG 4.49Å; S217-L219 VanDerWaalsContact C-N 3.33Å; S217-L219 PolarHBondContact OG-N 2.78Å; L219-A222 PolarHBondContact O-N 3.43Å; L219-A223 PolarHBondContact O-N 3.13Å; L219-V229 HydrophobicContact CD2-CB 4.49Å; L219-V229 HydrophobicContact CD2-CG1 4.12Å; L219-V229 HydrophobicContact CD2-CG2 4.05Å
220	Y	98.9	Very high	98.6	Very high	24 Å²	24	39.4 Å²	39.4	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-49.5	170.9	165.7	-93.7	0	0	0	111.3	G209 D213 N214 K215 S217 A222 A223 K224	G209-Y220 VanDerWaalsContact O-CA 3.29Å; G209-Y220 WeakPolarHBondContact O-CA 3.36Å; D213-Y220 WeakPolarHBondContact OD1-CE2 3.42Å; N214-Y220 VanDerWaalsContact O-CB 3.29Å; N214-Y220 WeakPolarHBondContact O-CB 3.13Å; K215-Y220 HydrophobicContact CB-CE1 4.39Å; K215-Y220 HydrophobicContact CG-CE1 3.81Å; S217-Y220 PolarHBondContact OG-N 3.18Å; Y220-A222 VanDerWaalsContact C-N 3.32Å; Y220-A222 PolarHBondContact O-N 3.1Å; Y220-A223 PolarHBondContact O-N 3.45Å; Y220-K224 HydrophobicContact CE1-CD 4.05Å; Y220-K224 WeakPolarHBondContact O-CB 3.47Å; Y220-K224 PolarHBondContact O-N 2.61Å; Y220-K224 PolarHBondContact OH-NZ 3.36Å
221	W	98.9	Very high	98.6	Very high	25 Å²	25	35.2 Å²	35.2	10%	0.095	17%	0.169	C	C	.	.	H	α-helix	trans	-67.7	-34.4	177.6	-73.8	114.7	0	0	0	112.3	V118 E119 K215 S217 V218 K224 N225	V118-W221 HydrophobicContact CB-CB 4.49Å; V118-W221 HydrophobicContact CG1-CB 3.85Å; E119-W221 HydrophobicContact CB-CB 4.32Å; E119-W221 HydrophobicContact CB-CD2 3.75Å; E119-W221 HydrophobicContact CB-CE3 4.28Å; E119-W221 HydrophobicContact CB-CG 3.74Å; E119-W221 HydrophobicContact CG-CD2 3.64Å; E119-W221 VanDerWaalsContact CG-CE2 3.48Å; E119-W221 HydrophobicContact CG-CE3 3.94Å; E119-W221 HydrophobicContact CG-CG 4.17Å; E119-W221 HydrophobicContact CG-CH2 3.94Å; E119-W221 HydrophobicContact CG-CZ2 3.66Å; E119-W221 HydrophobicContact CG-CZ3 4.07Å; E119-W221 WeakPolarHBondContact OE1-CZ2 3.27Å; K215-W221 HydrophobicContact CB-CZ2 4.09Å; K215-W221 HydrophobicContact CD-CZ2 4.33Å; K215-W221 HydrophobicContact CG-CZ2 4.02Å; K215-W221 PolarHBondContact O-NE1 2.89Å; S217-W221 VanDerWaalsContact O-CD1 3.22Å; S217-W221 PolarHBondContact O-N 2.95Å; V218-W221 PolarHBondContact O-N 3.33Å; W221-K224 HydrophobicContact CE3-CB 4.45Å; W221-K224 HydrophobicContact CE3-CD 3.95Å; W221-K224 HydrophobicContact CE3-CG 4.49Å; W221-K224 HydrophobicContact CZ3-CD 3.73Å; W221-K224 PolarHBondContact O-N 2.93Å; W221-N225 VanDerWaalsContact O-CB 3.23Å; W221-N225 WeakPolarHBondContact O-CB 3.46Å; W221-N225 PolarHBondContact O-N 3.41Å
222	A	98.8	Very high	98.3	Very high	2 Å²	2	33 Å²	33	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-46	176.2	0	0	0	0	0	111.3	V118 L126 V218 L219 Y220 A226 I227 V229	V118-A222 HydrophobicContact CG1-CB 3.88Å; L126-A222 HydrophobicContact CD1-CB 4.4Å; V218-A222 WeakPolarHBondContact O-CB 3.42Å; V218-A222 PolarHBondContact O-N 3.49Å; L219-A222 PolarHBondContact O-N 3.43Å; Y220-A222 VanDerWaalsContact C-N 3.32Å; Y220-A222 PolarHBondContact O-N 3.1Å; A222-A226 PolarHBondContact O-N 3.05Å; A222-I227 HydrophobicContact CB-CB 4.27Å; A222-I227 PolarHBondContact O-N 3.37Å; A222-V229 HydrophobicContact CB-CG2 3.63Å
223	A	98.5	Very high	98.2	Very high	7 Å²	7	33 Å²	33	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-50	174.2	0	0	0	0	0	111.3	Y206 E210 L219 Y220 N225 A226	Y206-A223 HydrophobicContact CD2-CB 3.87Å; Y206-A223 HydrophobicContact CE2-CB 3.8Å; E210-A223 HydrophobicContact CG-CB 3.82Å; L219-A223 PolarHBondContact O-N 3.13Å; Y220-A223 PolarHBondContact O-N 3.45Å; A223-N225 VanDerWaalsContact C-N 3.32Å; A223-N225 PolarHBondContact O-N 3.05Å; A223-A226 PolarHBondContact O-N 2.91Å
224	K	98.5	Very high	98.3	Very high	120 Å²	120	27.4 Å²	27.4	52%	0.522	14%	0.138	S	C	.	.	H	α-helix	trans	-61.6	-37.1	-177.9	-174.6	166	-176.3	170.4	0	114	Y220 W221	Y220-K224 HydrophobicContact CE1-CD 4.05Å; Y220-K224 WeakPolarHBondContact O-CB 3.47Å; Y220-K224 PolarHBondContact O-N 2.61Å; Y220-K224 PolarHBondContact OH-NZ 3.36Å; W221-K224 HydrophobicContact CE3-CB 4.45Å; W221-K224 HydrophobicContact CE3-CD 3.95Å; W221-K224 HydrophobicContact CE3-CG 4.49Å; W221-K224 HydrophobicContact CZ3-CD 3.73Å; W221-K224 PolarHBondContact O-N 2.93Å
225	N	98.3	Very high	98.2	Very high	22 Å²	22	30.2 Å²	30.2	12%	0.118	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	15.2	-177.1	-69.3	-13.2	0	0	0	113	R90 V118 E119 E121 W221 A223 I227	R90-N225 PolarHBondContact NH1-O 3.01Å; V118-N225 PolarHBondContact O-ND2 3.48Å; E119-N225 VanDerWaalsContact C-ND2 3.31Å; E119-N225 PolarHBondContact O-ND2 3.19Å; E121-N225 HydrophobicContact CG-CB 3.81Å; W221-N225 VanDerWaalsContact O-CB 3.23Å; W221-N225 WeakPolarHBondContact O-CB 3.46Å; W221-N225 PolarHBondContact O-N 3.41Å; A223-N225 VanDerWaalsContact C-N 3.32Å; A223-N225 PolarHBondContact O-N 3.05Å; N225-I227 VanDerWaalsContact C-N 3.27Å; N225-I227 HydrophobicContact CB-CD1 4.08Å; N225-I227 HydrophobicContact CB-CG1 4.32Å; N225-I227 PolarHBondContact O-N 3.12Å
226	A	98.2	Very high	98.2	Very high	19 Å²	19	30.1 Å²	30.1	16%	0.157	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	45.5	178	0	0	0	0	0	112.3	F88 R90 A222 A223	F88-A226 HydrophobicContact CB-CB 4Å; F88-A226 HydrophobicContact CD2-CB 3.38Å; F88-A226 VanDerWaalsContact CE2-C 3.47Å; F88-A226 HydrophobicContact CE2-CB 3.95Å; F88-A226 VanDerWaalsContact CE2-O 3.31Å; F88-A226 WeakPolarHBondContact CE2-O 3.48Å; F88-A226 HydrophobicContact CG-CB 3.78Å; R90-A226 WeakPolarHBondContact CB-O 3.38Å; R90-A226 VanDerWaalsContact CD-O 3.28Å; R90-A226 WeakPolarHBondContact CD-O 3.47Å; R90-A226 WeakPolarHBondContact CG-O 3.48Å; R90-A226 PolarHBondContact NH1-O 3.18Å; A222-A226 PolarHBondContact O-N 3.05Å; A223-A226 PolarHBondContact O-N 2.91Å
227	I	98.7	Very high	98.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	15%	0.149	C	C	.	.			trans	-103.1	112.1	175.2	-65.3	166.5	0	0	0	107.7	V118 L126 A222 N225	V118-I227 HydrophobicContact CB-CD1 4.34Å; V118-I227 HydrophobicContact CG1-CD1 3.72Å; V118-I227 WeakPolarHBondContact O-CD1 3.26Å; L126-I227 HydrophobicContact CD1-CG2 4.43Å; L126-I227 HydrophobicContact CD2-CG2 4.48Å; L126-I227 HydrophobicContact CG-CG2 3.88Å; A222-I227 HydrophobicContact CB-CB 4.27Å; A222-I227 PolarHBondContact O-N 3.37Å; N225-I227 VanDerWaalsContact C-N 3.27Å; N225-I227 HydrophobicContact CB-CD1 4.08Å; N225-I227 HydrophobicContact CB-CG1 4.32Å; N225-I227 PolarHBondContact O-N 3.12Å
228	P	98.7	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.			trans	-65.2	137.5	176.2	30.3	-39	0	0	0	111.3	F85 F88 D124 C125 L126 F230 M267	F85-P228 HydrophobicContact CD1-CB 4.07Å; F85-P228 HydrophobicContact CE1-CB 3.63Å; F85-P228 HydrophobicContact CE1-CG 3.84Å; F85-P228 HydrophobicContact CE2-CB 4.42Å; F85-P228 HydrophobicContact CE2-CG 3.99Å; F85-P228 HydrophobicContact CZ-CB 3.85Å; F85-P228 HydrophobicContact CZ-CG 3.5Å; F88-P228 HydrophobicContact CZ-CB 4.14Å; D124-P228 WeakPolarHBondContact O-CD 3.34Å; C125-P228 HydrophobicContact CB-CG 4.44Å; L126-P228 PolarHBondContact N-O 3.41Å; P228-F230 HydrophobicContact CB-CD2 4.46Å; P228-F230 HydrophobicContact CB-CE2 3.77Å; P228-F230 HydrophobicContact CB-CZ 4.09Å; P228-F230 HydrophobicContact CG-CE2 4.11Å; P228-M267 HydrophobicContact CG-CE 4.23Å; P228-M267 HydrophobicContact CG-SD 3.85Å
229	V	98.9	Very high	98	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.03	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122	172.2	-171.2	0	0	0	0	108.4	L126 T128 I133 H202 I205 L219 A222	L126-V229 HydrophobicContact CB-CB 4.37Å; L126-V229 HydrophobicContact CB-CG1 4.09Å; L126-V229 HydrophobicContact CB-CG2 4.12Å; L126-V229 HydrophobicContact CD1-CG2 3.96Å; L126-V229 HydrophobicContact CG-CG2 4.36Å; L126-V229 WeakPolarHBondContact O-CA 3.24Å; T128-V229 HydrophobicContact CG2-CG1 4.42Å; I133-V229 HydrophobicContact CD1-CG1 3.66Å; H202-V229 WeakPolarHBondContact CA-O 3.49Å; H202-V229 PolarHBondContact ND1-O 3.5Å; I205-V229 HydrophobicContact CD1-CG1 4.43Å; I205-V229 HydrophobicContact CG2-CB 3.76Å; I205-V229 HydrophobicContact CG2-CG1 3.96Å; I205-V229 HydrophobicContact CG2-CG2 4.29Å; L219-V229 HydrophobicContact CD2-CB 4.49Å; L219-V229 HydrophobicContact CD2-CG1 4.12Å; L219-V229 HydrophobicContact CD2-CG2 4.05Å; A222-V229 HydrophobicContact CB-CG2 3.63Å
230	F	98.8	Very high	98	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.2	176.7	-62.7	-80	0	0	0	110.9	F85 L126 V127 T128 H202 P228 D260 L263 L264	F85-F230 AromaticContact CE1-CZ 4Å; F85-F230 HydrophobicContact CE1-CZ 4Å; L126-F230 PolarHBondContact O-N 2.61Å; V127-F230 WeakPolarHBondContact CA-O 3.29Å; V127-F230 HydrophobicContact CG2-CB 4.34Å; T128-F230 PolarHBondContact N-O 3.35Å; H202-F230 HydrophobicContact CB-CD1 4.14Å; H202-F230 HydrophobicContact CB-CE1 4.17Å; P228-F230 HydrophobicContact CB-CD2 4.46Å; P228-F230 HydrophobicContact CB-CE2 3.77Å; P228-F230 HydrophobicContact CB-CZ 4.09Å; P228-F230 HydrophobicContact CG-CE2 4.11Å; F230-D260 HydrophobicContact CD1-CB 4.11Å; F230-D260 HydrophobicContact CE1-CB 4.32Å; F230-D260 WeakPolarHBondContact CE1-O 3.49Å; F230-L263 HydrophobicContact CE1-CB 3.84Å; F230-L263 HydrophobicContact CZ-CB 3.86Å; F230-L264 HydrophobicContact CD1-CB 4.23Å; F230-L264 HydrophobicContact CD2-CB 4.13Å; F230-L264 HydrophobicContact CD2-CD1 3.72Å; F230-L264 HydrophobicContact CD2-CG 4.36Å; F230-L264 HydrophobicContact CE1-CB 4.02Å; F230-L264 HydrophobicContact CE2-CB 3.9Å; F230-L264 HydrophobicContact CE2-CD1 3.76Å; F230-L264 HydrophobicContact CE2-CG 4.41Å; F230-L264 HydrophobicContact CG-CB 4.26Å; F230-L264 HydrophobicContact CG-CD1 4.44Å; F230-L264 HydrophobicContact CZ-CB 3.82Å
231	C	98.7	Very high	97.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	17%	0.174	C	C	.	.			trans	-139.4	89.5	176.8	-176.6	0	0	0	0	109.5	T128 A130 I133 P201 I205 G233 L234	T128-C231 WeakPolarHBondContact O-CA 3.38Å; A130-C231 PolarHBondContact N-SG 3.4Å; I133-C231 HydrophobicContact CG1-CB 4.2Å; P201-C231 WeakPolarHBondContact CB-O 3.46Å; I205-C231 HydrophobicContact CD1-CB 3.63Å; C231-G233 PolarHBondContact O-N 3.08Å; C231-G233 VanDerWaalsContact O-N 3.15Å; C231-L234 HydrophobicContact CB-CB 4.35Å; C231-L234 HydrophobicContact CB-CD1 3.98Å; C231-L234 PolarHBondContact O-N 2.98Å; C231-L234 VanDerWaalsContact SG-CA 3.56Å
232	P	92.6	Very high	97.9	Very high	34 Å²	34	29 Å²	29	22%	0.221	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.7	-176.6	21.6	-33.5	0	0	0	114	L283 H287	P232-L283 HydrophobicContact CB-CD1 4.43Å; P232-L283 HydrophobicContact CB-CD2 3.94Å; P232-L283 HydrophobicContact CB-CG 4.25Å; P232-L283 HydrophobicContact CG-CD1 4.16Å; P232-L283 HydrophobicContact CG-CD2 3.56Å; P232-L283 HydrophobicContact CG-CG 3.59Å; P232-H287 HydrophobicContact CG-CB 4.28Å
233	G	96.3	Very high	97.9	Very high	18 Å²	18	30 Å²	30	19%	0.186	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	52.7	176.1	0	0	0	0	0	112.8	C231 T235 D236	C231-G233 PolarHBondContact O-N 3.08Å; C231-G233 VanDerWaalsContact O-N 3.15Å; G233-T235 PolarHBondContact O-N 3.33Å; G233-D236 WeakPolarHBondContact O-CB 3.38Å; G233-D236 PolarHBondContact O-N 3.23Å
234	L	98.1	Very high	97.9	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.3	-174.5	-169.3	61.7	0	0	0	114.4	A130 I133 P201 L204 I205 C231 D236 L239 L255	A130-L234 WeakPolarHBondContact CB-O 3.48Å; I133-L234 HydrophobicContact CB-CD1 4.37Å; I133-L234 HydrophobicContact CG1-CD1 4.04Å; I133-L234 HydrophobicContact CG2-CD1 4.39Å; P201-L234 HydrophobicContact CB-CB 4.07Å; P201-L234 HydrophobicContact CB-CD2 3.78Å; P201-L234 HydrophobicContact CB-CG 4.49Å; P201-L234 HydrophobicContact CG-CB 4.31Å; P201-L234 HydrophobicContact CG-CD2 4.45Å; L204-L234 HydrophobicContact CD2-CD2 4.13Å; I205-L234 HydrophobicContact CD1-CD1 4.08Å; I205-L234 HydrophobicContact CG1-CD1 4.17Å; I205-L234 HydrophobicContact CG1-CD2 4.35Å; C231-L234 HydrophobicContact CB-CB 4.35Å; C231-L234 HydrophobicContact CB-CD1 3.98Å; C231-L234 PolarHBondContact O-N 2.98Å; C231-L234 VanDerWaalsContact SG-CA 3.56Å; L234-D236 VanDerWaalsContact C-N 3.31Å; L234-L239 HydrophobicContact CD1-CD2 3.67Å; L234-L239 HydrophobicContact CD2-CD2 4.18Å; L234-L239 HydrophobicContact CG-CD2 3.9Å; L234-L255 HydrophobicContact CD2-CD1 4.09Å
235	T	98.2	Very high	97.8	Very high	102 Å²	102	34.2 Å²	34.2	63%	0.626	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-2.7	178.6	54.2	0	0	0	0	113.9	G233 G237 G240 L243	G233-T235 PolarHBondContact O-N 3.33Å; T235-G237 PolarHBondContact O-N 2.91Å; T235-G240 WeakPolarHBondContact O-CA 3.3Å; T235-L243 HydrophobicContact CG2-CD1 4.26Å
236	D	98.1	Very high	97.8	Very high	135 Å²	135	33.4 Å²	33.4	72%	0.722	19%	0.186	S	C	*	.	S	Bend	trans	-93.8	59.8	-174.9	-172.8	32.3	0	0	0	112.2	A130 G233 L234	A130-D236 WeakPolarHBondContact CB-O 3.49Å; G233-D236 WeakPolarHBondContact O-CB 3.38Å; G233-D236 PolarHBondContact O-N 3.23Å; L234-D236 VanDerWaalsContact C-N 3.31Å
237	G	96.9	Very high	97.8	Very high	22 Å²	22	34.9 Å²	34.9	23%	0.227	20%	0.195	C	C	.	.	S	Bend	trans	175.5	-172.1	-176.9	0	0	0	0	0	113.2	T235 L239 G240 D241	T235-G237 PolarHBondContact O-N 2.91Å; G237-L239 PolarHBondContact O-N 3.43Å; G237-G240 CarbonylContact O-C 3.49Å; G237-G240 VanDerWaalsContact O-CA 3.26Å; G237-G240 WeakPolarHBondContact O-CA 3.27Å; G237-G240 PolarHBondContact O-N 3.14Å; G237-D241 PolarHBondContact O-N 3.41Å
238	S	97.5	Very high	97.7	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-34.1	175.6	179.9	0	0	0	0	113	E134 Y174 G240 D241 M242	E134-S238 VanDerWaalsContact OE1-CB 3.25Å; E134-S238 WeakPolarHBondContact OE1-CB 3.27Å; E134-S238 PolarHBondContact OE1-N 3.48Å; E134-S238 WeakPolarHBondContact OE2-CA 3.31Å; E134-S238 PolarHBondContact OE2-N 2.7Å; Y174-S238 WeakPolarHBondContact CD1-OG 3.4Å; S238-G240 VanDerWaalsContact C-N 3.25Å; S238-G240 PolarHBondContact O-N 3.29Å; S238-D241 WeakPolarHBondContact O-CB 3.33Å; S238-D241 PolarHBondContact O-N 3.32Å; S238-D241 VanDerWaalsContact O-N 3.16Å; S238-M242 VanDerWaalsContact O-CG 3.31Å; S238-M242 WeakPolarHBondContact O-CG 3.39Å; S238-M242 PolarHBondContact O-N 3.47Å
239	L	97.4	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-34.9	174.1	-176.7	58.7	0	0	0	111.4	I133 E134 F177 V181 L208 L234 G237 M242 L243	I133-L239 HydrophobicContact CG2-CD2 4.46Å; E134-L239 HydrophobicContact CB-CB 4.49Å; E134-L239 PolarHBondContact OE2-N 2.91Å; F177-L239 HydrophobicContact CE1-CB 4.31Å; F177-L239 HydrophobicContact CE1-CD1 4.38Å; F177-L239 HydrophobicContact CZ-CB 4.39Å; F177-L239 HydrophobicContact CZ-CD1 4.08Å; V181-L239 HydrophobicContact CG2-CD1 3.89Å; L208-L239 HydrophobicContact CD1-CD1 4.44Å; L208-L239 HydrophobicContact CD1-CD2 4.06Å; L234-L239 HydrophobicContact CD1-CD2 3.67Å; L234-L239 HydrophobicContact CD2-CD2 4.18Å; L234-L239 HydrophobicContact CG-CD2 3.9Å; G237-L239 PolarHBondContact O-N 3.43Å; L239-M242 PolarHBondContact O-N 3.4Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.35Å; L239-L243 PolarHBondContact O-N 3.05Å
240	G	98.3	Very high	97.3	Very high	10 Å²	10	53.2 Å²	53.2	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-43.3	168.9	0	0	0	0	0	112.9	T235 G237 S238 M242 L243 Y244	T235-G240 WeakPolarHBondContact O-CA 3.3Å; G237-G240 CarbonylContact O-C 3.49Å; G237-G240 VanDerWaalsContact O-CA 3.26Å; G237-G240 WeakPolarHBondContact O-CA 3.27Å; G237-G240 PolarHBondContact O-N 3.14Å; S238-G240 VanDerWaalsContact C-N 3.25Å; S238-G240 PolarHBondContact O-N 3.29Å; G240-M242 VanDerWaalsContact C-N 3.31Å; G240-M242 PolarHBondContact O-N 3.13Å; G240-L243 WeakPolarHBondContact O-CB 3.46Å; G240-L243 PolarHBondContact O-N 3.5Å; G240-Y244 WeakPolarHBondContact O-CB 3.32Å; G240-Y244 PolarHBondContact O-N 3.31Å
241	D	98.3	Very high	97.2	Very high	89 Å²	89	57.1 Å²	57.1	48%	0.476	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-42.1	174.5	-62.3	-27	0	0	0	111.3	G237 S238 Y244 F245	G237-D241 PolarHBondContact O-N 3.41Å; S238-D241 WeakPolarHBondContact O-CB 3.33Å; S238-D241 PolarHBondContact O-N 3.32Å; S238-D241 VanDerWaalsContact O-N 3.16Å; D241-Y244 WeakPolarHBondContact O-CB 3.22Å; D241-Y244 PolarHBondContact O-N 2.93Å; D241-F245 HydrophobicContact CB-CE2 4.18Å; D241-F245 WeakPolarHBondContact O-CD2 3.5Å; D241-F245 WeakPolarHBondContact O-CG 3.03Å; D241-F245 PolarHBondContact O-N 3.31Å
242	M	98.2	Very high	97.1	Very high	9 Å²	9	58.9 Å²	58.9	4%	0.044	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-41.2	177.4	-60.8	-51.3	126.3	0	0	111.9	F177 E178 V181 L185 S238 L239 G240 Y244 F245 H246	F177-M242 HydrophobicContact CD1-CG 4.24Å; F177-M242 HydrophobicContact CE1-CG 4.22Å; E178-M242 HydrophobicContact CB-CE 4.19Å; E178-M242 HydrophobicContact CB-SD 3.5Å; E178-M242 VanDerWaalsContact CB-SD 3.5Å; E178-M242 HydrophobicContact CG-SD 3.61Å; V181-M242 HydrophobicContact CG1-CB 3.75Å; V181-M242 HydrophobicContact CG1-CG 3.61Å; L185-M242 HydrophobicContact CD1-CB 4.31Å; S238-M242 VanDerWaalsContact O-CG 3.31Å; S238-M242 WeakPolarHBondContact O-CG 3.39Å; S238-M242 PolarHBondContact O-N 3.47Å; L239-M242 PolarHBondContact O-N 3.4Å; G240-M242 VanDerWaalsContact C-N 3.31Å; G240-M242 PolarHBondContact O-N 3.13Å; M242-Y244 VanDerWaalsContact C-N 3.32Å; M242-Y244 PolarHBondContact O-N 3.4Å; M242-F245 HydrophobicContact CE-CD2 4.43Å; M242-F245 HydrophobicContact CE-CE2 4.49Å; M242-F245 PolarHBondContact O-N 3.24Å; M242-H246 WeakPolarHBondContact O-CB 3.39Å; M242-H246 PolarHBondContact O-N 2.61Å
243	L	98	Very high	97.4	Very high	23 Å²	23	58.9 Å²	58.9	12%	0.12	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-42.2	172.6	-73.2	165.8	0	0	0	111.4	L185 T235 L239 G240 S247 L253 L255	L185-L243 HydrophobicContact CD1-CD2 4.06Å; L185-L243 HydrophobicContact CD1-CG 4.43Å; L185-L243 HydrophobicContact CD2-CD2 3.91Å; T235-L243 HydrophobicContact CG2-CD1 4.26Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.35Å; L239-L243 PolarHBondContact O-N 3.05Å; G240-L243 WeakPolarHBondContact O-CB 3.46Å; G240-L243 PolarHBondContact O-N 3.5Å; L243-S247 WeakPolarHBondContact O-CB 3.34Å; L243-S247 PolarHBondContact O-N 3.33Å; L243-L253 HydrophobicContact CD2-CD2 3.71Å; L243-L255 HydrophobicContact CD1-CD1 4.03Å
244	Y	98.3	Very high	97.5	Very high	124 Å²	124	65.5 Å²	65.5	49%	0.486	33%	0.334	S	S	.	.	H	α-helix	trans	-59.8	-55.9	175.7	173.4	-96.3	0	0	0	111.4	G240 D241 M242 H246 S247 Y248	G240-Y244 WeakPolarHBondContact O-CB 3.32Å; G240-Y244 PolarHBondContact O-N 3.31Å; D241-Y244 WeakPolarHBondContact O-CB 3.22Å; D241-Y244 PolarHBondContact O-N 2.93Å; M242-Y244 VanDerWaalsContact C-N 3.32Å; M242-Y244 PolarHBondContact O-N 3.4Å; Y244-H246 VanDerWaalsContact C-N 3.35Å; Y244-H246 PolarHBondContact O-N 2.9Å; Y244-S247 PolarHBondContact O-N 2.9Å; Y244-S247 PolarHBondContact O-OG 3.22Å; Y244-Y248 HydrophobicContact CD2-CE2 4.19Å; Y244-Y248 HydrophobicContact CE1-CD2 4.41Å; Y244-Y248 HydrophobicContact CE1-CE2 4.11Å; Y244-Y248 HydrophobicContact CE2-CD2 4.38Å; Y244-Y248 AromaticContact CE2-CE2 3.53Å; Y244-Y248 HydrophobicContact CE2-CE2 3.53Å; Y244-Y248 AromaticContact CZ-CE2 3.46Å; Y244-Y248 VanDerWaalsContact CZ-CE2 3.46Å; Y244-Y248 WeakPolarHBondContact OH-CE2 3.35Å
245	F	97.5	Very high	97.5	Very high	90 Å²	90	67.4 Å²	67.4	40%	0.395	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-41.1	179.7	-63	-47.9	0	0	0	112.6	D241 M242 S247 Y248 R249	D241-F245 HydrophobicContact CB-CE2 4.18Å; D241-F245 WeakPolarHBondContact O-CD2 3.5Å; D241-F245 WeakPolarHBondContact O-CG 3.03Å; D241-F245 PolarHBondContact O-N 3.31Å; M242-F245 HydrophobicContact CE-CD2 4.43Å; M242-F245 HydrophobicContact CE-CE2 4.49Å; M242-F245 PolarHBondContact O-N 3.24Å; F245-S247 VanDerWaalsContact C-N 3.31Å; F245-S247 PolarHBondContact O-N 3.06Å; F245-Y248 PolarHBondContact O-N 3.29Å; F245-R249 PolarHBondContact O-N 2.99Å
246	H	98	Very high	97.5	Very high	5 Å²	5	65.1 Å²	65.1	2%	0.023	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-43.1	175.7	174.9	-94.8	0	0	0	111.4	L182 L185 D186 M242 Y244 Y248 R249 N250	L182-H246 HydrophobicContact CD2-CB 3.92Å; L185-H246 HydrophobicContact CD1-CB 4Å; D186-H246 PolarHBondContact N-NE2 2.82Å; D186-H246 IonicContact OD1-CD2 3.81Å; D186-H246 IonicContact OD1-NE2 3.27Å; D186-H246 PolarHBondContact OD1-NE2 3.04Å; M242-H246 WeakPolarHBondContact O-CB 3.39Å; M242-H246 PolarHBondContact O-N 2.61Å; Y244-H246 VanDerWaalsContact C-N 3.35Å; Y244-H246 PolarHBondContact O-N 2.9Å; H246-Y248 VanDerWaalsContact C-N 3.26Å; H246-Y248 PolarHBondContact O-N 2.7Å; H246-R249 PolarHBondContact O-N 2.8Å; H246-N250 PolarHBondContact O-N 3.42Å
247	S	97.7	Very high	97.5	Very high	50 Å²	50	63.2 Å²	63.2	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-28.6	-178	75.4	0	0	0	0	114.7	L243 Y244 F245 P251	L243-S247 WeakPolarHBondContact O-CB 3.34Å; L243-S247 PolarHBondContact O-N 3.33Å; Y244-S247 PolarHBondContact O-N 2.9Å; Y244-S247 PolarHBondContact O-OG 3.22Å; F245-S247 VanDerWaalsContact C-N 3.31Å; F245-S247 PolarHBondContact O-N 3.06Å; S247-P251 WeakPolarHBondContact O-CA 3.31Å; S247-P251 WeakPolarHBondContact O-CB 3.39Å
248	Y	97.5	Very high	97.5	Very high	168 Å²	168	68.3 Å²	68.3	66%	0.659	34%	0.338	S	S	*	.	H	α-helix	trans	-76.3	-34.8	174	-83.8	-88.3	0	0	0	112.1	Y244 F245 H246	Y244-Y248 HydrophobicContact CD2-CE2 4.19Å; Y244-Y248 HydrophobicContact CE1-CD2 4.41Å; Y244-Y248 HydrophobicContact CE1-CE2 4.11Å; Y244-Y248 HydrophobicContact CE2-CD2 4.38Å; Y244-Y248 AromaticContact CE2-CE2 3.53Å; Y244-Y248 HydrophobicContact CE2-CE2 3.53Å; Y244-Y248 AromaticContact CZ-CE2 3.46Å; Y244-Y248 VanDerWaalsContact CZ-CE2 3.46Å; Y244-Y248 WeakPolarHBondContact OH-CE2 3.35Å; F245-Y248 PolarHBondContact O-N 3.29Å; H246-Y248 VanDerWaalsContact C-N 3.26Å; H246-Y248 PolarHBondContact O-N 2.7Å
249	R	95.2	Very high	97.6	Very high	176 Å²	176	69.7 Å²	69.7	66%	0.664	34%	0.343	S	S	*	.	H	α-helix	trans	-77.7	-44.4	179.3	-65.6	-176.3	-175.1	166.5	7.6	111.7	E178 F245 H246	E178-R249 IonicContact OE1-NH2 3.97Å; F245-R249 PolarHBondContact O-N 2.99Å; H246-R249 PolarHBondContact O-N 2.8Å
250	N	94.7	Very high	97.6	Very high	49 Å²	49	70.1 Å²	70.1	26%	0.262	35%	0.345	S	S	.	.	S	Bend	trans	-138.6	87.7	-177.6	-163	-5.8	0	0	0	109.6	D186 L189 K193 H246	D186-N250 PolarHBondContact OD1-ND2 2.82Å; L189-N250 HydrophobicContact CD2-CB 3.87Å; L189-N250 WeakPolarHBondContact CD2-O 3.33Å; L189-N250 WeakPolarHBondContact CD2-OD1 3.48Å; K193-N250 PolarHBondContact NZ-OD1 2.92Å; H246-N250 PolarHBondContact O-N 3.42Å
251	P	96.5	Very high	97.6	Very high	84 Å²	84	72.2 Å²	72.2	55%	0.545	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	148.8	-173.7	26.5	-34	0	0	0	112.6	K193 S247	K193-P251 PolarHBondContact NZ-O 2.93Å; S247-P251 WeakPolarHBondContact O-CA 3.31Å; S247-P251 WeakPolarHBondContact O-CB 3.39Å
252	G	96.6	Very high	97.6	Very high	37 Å²	37	74.6 Å²	74.6	38%	0.381	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	125.7	-11.4	162.9	0	0	0	0	0	116.2	Q192 K254	Q192-G252 PolarHBondContact NE2-O 3.01Å; G252-K254 PolarHBondContact O-N 3.42Å
253	L	98.2	Very high	97.6	Very high	34 Å²	34	75 Å²	75	18%	0.178	36%	0.36	C	S	.	.			trans	-62.1	129.7	178.6	-174.1	63.3	0	0	0	110	L185 A188 L189 W199 L243	L185-L253 HydrophobicContact CB-CD2 4.4Å; L185-L253 HydrophobicContact CD2-CD2 4.1Å; A188-L253 HydrophobicContact CB-CD1 4.13Å; L189-L253 HydrophobicContact CB-CB 4.41Å; L189-L253 HydrophobicContact CB-CD1 4.38Å; L189-L253 HydrophobicContact CD1-CB 4.08Å; L189-L253 VanDerWaalsContact CD1-N 3.34Å; W199-L253 HydrophobicContact CG-CD1 4.48Å; L243-L253 HydrophobicContact CD2-CD2 3.71Å
254	K	98.2	Very high	97.6	Very high	158 Å²	158	73.9 Å²	73.9	69%	0.687	36%	0.355	S	S	*	.			trans	-130	141.5	-179.5	-70.4	177.9	-178.2	-179.7	0	109.3	Q192 G252	Q192-K254 PolarHBondContact OE1-O 3.08Å; G252-K254 PolarHBondContact O-N 3.42Å
255	L	98.1	Very high	97.6	Very high	45 Å²	45	69.2 Å²	69.2	24%	0.236	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-118.4	114.9	174.9	-56.5	179.9	0	0	0	108.4	W199 L204 L234 L243	W199-L255 HydrophobicContact CB-CD2 3.53Å; W199-L255 HydrophobicContact CG-CD2 4.46Å; W199-L255 CarbonylContact O-C 3.57Å; W199-L255 WeakPolarHBondContact O-CA 3.46Å; L204-L255 HydrophobicContact CD2-CD1 4.04Å; L204-L255 HydrophobicContact CD2-CD2 4.17Å; L234-L255 HydrophobicContact CD2-CD1 4.09Å; L243-L255 HydrophobicContact CD1-CD1 4.03Å
256	D	98	Very high	97.6	Very high	53 Å²	53	67.8 Å²	67.8	28%	0.283	34%	0.335	S	S	.	.			trans	-82.6	127.9	174.3	179	33.9	0	0	0	110.7	W199 T200 P201 I258 E259	W199-D256 PolarHBondContact O-N 2.85Å; T200-D256 WeakPolarHBondContact CA-O 3.35Å; T200-D256 VanDerWaalsContact CB-O 3.22Å; T200-D256 WeakPolarHBondContact CB-O 3.46Å; T200-D256 WeakPolarHBondContact CG2-O 3.43Å; P201-D256 VanDerWaalsContact CD-O 3.31Å; P201-D256 WeakPolarHBondContact CD-O 3.49Å; D256-I258 WeakPolarHBondContact OD1-CB 3.37Å; D256-I258 PolarHBondContact OD1-N 2.69Å; D256-E259 WeakPolarHBondContact OD2-CB 3.41Å; D256-E259 PolarHBondContact OD2-N 2.8Å
257	I	98	Very high	97.5	Very high	95 Å²	95	67.7 Å²	67.7	49%	0.487	34%	0.335	S	S	.	.	S	Bend	trans	-94.2	-17.8	176.3	61.1	173.6	0	0	0	112.1	P201 D260 V261	P201-I257 HydrophobicContact CG-CG2 4.12Å; I257-D260 PolarHBondContact O-N 3.19Å; I257-V261 WeakPolarHBondContact O-CG2 3.43Å; I257-V261 PolarHBondContact O-N 3.07Å; I257-V261 VanDerWaalsContact O-N 3.07Å
258	I	98.1	Very high	97.5	Very high	130 Å²	130	65.3 Å²	65.3	67%	0.667	32%	0.318	S	S	*	.	H	α-helix	trans	-70.4	-44.7	-176.7	-60.9	179.6	0	0	0	110	D256 D260 V261 R262	D256-I258 WeakPolarHBondContact OD1-CB 3.37Å; D256-I258 PolarHBondContact OD1-N 2.69Å; I258-D260 VanDerWaalsContact C-N 3.3Å; I258-D260 PolarHBondContact O-N 3.03Å; I258-V261 PolarHBondContact O-N 3.46Å; I258-R262 PolarHBondContact O-N 3.38Å; I258-R262 VanDerWaalsContact O-N 3.1Å
259	E	98.2	Very high	97.5	Very high	35 Å²	35	60.4 Å²	60.4	16%	0.164	31%	0.305	C	S	.	.	H	α-helix	trans	-57.8	-42.5	174.1	-177.4	-178.6	171.7	0	0	111.9	T200 K203 D256 R262 L263	T200-E259 HydrophobicContact CG2-CB 3.73Å; T200-E259 HydrophobicContact CG2-CG 3.99Å; T200-E259 WeakPolarHBondContact CG2-OE2 3.31Å; K203-E259 WeakPolarHBondContact CE-OE1 3.5Å; K203-E259 IonicContact NZ-OE1 2.81Å; K203-E259 PolarHBondContact NZ-OE1 3.2Å; K203-E259 IonicContact NZ-OE2 3.27Å; K203-E259 PolarHBondContact NZ-OE2 2.93Å; D256-E259 WeakPolarHBondContact OD2-CB 3.41Å; D256-E259 PolarHBondContact OD2-N 2.8Å; E259-R262 WeakPolarHBondContact O-CB 3.34Å; E259-R262 PolarHBondContact O-N 2.96Å; E259-L263 HydrophobicContact CG-CD1 4.37Å; E259-L263 WeakPolarHBondContact O-CG 3.5Å; E259-L263 PolarHBondContact O-N 2.54Å
260	D	98.1	Very high	97.5	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.043	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-43.4	178.6	-95.3	17.7	0	0	0	113	T200 P201 H202 F230 I257 I258 R262 L263 L264	T200-D260 WeakPolarHBondContact CB-OD1 3.23Å; T200-D260 PolarHBondContact OG1-OD1 2.93Å; P201-D260 WeakPolarHBondContact CB-OD2 3.37Å; P201-D260 VanDerWaalsContact CD-OD2 3.32Å; P201-D260 WeakPolarHBondContact CD-OD2 3.42Å; H202-D260 WeakPolarHBondContact CB-OD1 3.37Å; H202-D260 VanDerWaalsContact CB-OD2 3.31Å; H202-D260 WeakPolarHBondContact CB-OD2 3.43Å; H202-D260 PolarHBondContact N-OD2 3.22Å; F230-D260 HydrophobicContact CD1-CB 4.11Å; F230-D260 HydrophobicContact CE1-CB 4.32Å; F230-D260 WeakPolarHBondContact CE1-O 3.49Å; I257-D260 PolarHBondContact O-N 3.19Å; I258-D260 VanDerWaalsContact C-N 3.3Å; I258-D260 PolarHBondContact O-N 3.03Å; D260-R262 VanDerWaalsContact C-N 3.25Å; D260-R262 PolarHBondContact O-N 2.96Å; D260-L263 PolarHBondContact O-N 3Å; D260-L264 PolarHBondContact O-N 2.86Å
261	V	98	Very high	97.5	Very high	54 Å²	54	54.1 Å²	54.1	33%	0.327	28%	0.282	S	S	.	.	H	α-helix	trans	-59.9	-40.1	175.3	169.9	0	0	0	0	110.7	I257 I258 N265	I257-V261 WeakPolarHBondContact O-CG2 3.43Å; I257-V261 PolarHBondContact O-N 3.07Å; I257-V261 VanDerWaalsContact O-N 3.07Å; I258-V261 PolarHBondContact O-N 3.46Å; V261-N265 VanDerWaalsContact O-CB 3.3Å; V261-N265 WeakPolarHBondContact O-CB 3.46Å; V261-N265 PolarHBondContact O-N 3.08Å
262	R	98.1	Very high	97.4	Very high	140 Å²	140	52.3 Å²	52.3	53%	0.528	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-43.8	176.2	-171.9	178.8	65.2	94.7	4.6	111.5	I258 E259 D260 N266	I258-R262 PolarHBondContact O-N 3.38Å; I258-R262 VanDerWaalsContact O-N 3.1Å; E259-R262 WeakPolarHBondContact O-CB 3.34Å; E259-R262 PolarHBondContact O-N 2.96Å; D260-R262 VanDerWaalsContact C-N 3.25Å; D260-R262 PolarHBondContact O-N 2.96Å; R262-N266 VanDerWaalsContact O-CB 3.22Å; R262-N266 WeakPolarHBondContact O-CB 3.34Å; R262-N266 PolarHBondContact O-N 3.4Å; R262-N266 PolarHBondContact O-ND2 3.26Å
263	L	98.1	Very high	97.4	Very high	16 Å²	16	54.5 Å²	54.5	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-48.4	177.2	-71.1	171.5	0	0	0	111.4	F85 P86 F230 E259 D260 M267	F85-L263 HydrophobicContact CD1-CD1 4.41Å; F85-L263 HydrophobicContact CD1-CD2 4.18Å; F85-L263 HydrophobicContact CE1-CB 4.24Å; F85-L263 HydrophobicContact CE1-CD2 4.49Å; P86-L263 HydrophobicContact CG-CD1 4.25Å; F230-L263 HydrophobicContact CE1-CB 3.84Å; F230-L263 HydrophobicContact CZ-CB 3.86Å; E259-L263 HydrophobicContact CG-CD1 4.37Å; E259-L263 WeakPolarHBondContact O-CG 3.5Å; E259-L263 PolarHBondContact O-N 2.54Å; D260-L263 PolarHBondContact O-N 3Å; L263-M267 PolarHBondContact O-N 3.27Å; L263-M267 VanDerWaalsContact O-N 3.09Å
264	L	98.3	Very high	97.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-48.5	179.1	176.5	63.2	0	0	0	112	F98 V127 F230 D260 M267 A268 H287 A291	F98-L264 HydrophobicContact CD1-CD1 4.11Å; F98-L264 HydrophobicContact CE1-CD1 3.75Å; V127-L264 HydrophobicContact CG2-CD1 4.39Å; F230-L264 HydrophobicContact CD1-CB 4.23Å; F230-L264 HydrophobicContact CD2-CB 4.13Å; F230-L264 HydrophobicContact CD2-CD1 3.72Å; F230-L264 HydrophobicContact CD2-CG 4.36Å; F230-L264 HydrophobicContact CE1-CB 4.02Å; F230-L264 HydrophobicContact CE2-CB 3.9Å; F230-L264 HydrophobicContact CE2-CD1 3.76Å; F230-L264 HydrophobicContact CE2-CG 4.41Å; F230-L264 HydrophobicContact CG-CB 4.26Å; F230-L264 HydrophobicContact CG-CD1 4.44Å; F230-L264 HydrophobicContact CZ-CB 3.82Å; D260-L264 PolarHBondContact O-N 2.86Å; L264-M267 WeakPolarHBondContact O-CB 3.39Å; L264-M267 PolarHBondContact O-N 2.76Å; L264-A268 PolarHBondContact O-N 2.8Å; L264-H287 WeakPolarHBondContact CD2-CD2 3.34Å; L264-A291 HydrophobicContact CD1-CB 4.2Å; L264-A291 HydrophobicContact CD2-CB 4.04Å; L264-A291 HydrophobicContact CG-CB 3.72Å
265	N	98.5	Very high	97.4	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.139	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-44.4	-179.6	-72.3	-4.9	0	0	0	111.4	V261 M267 A268 V269 A291 M294	V261-N265 VanDerWaalsContact O-CB 3.3Å; V261-N265 WeakPolarHBondContact O-CB 3.46Å; V261-N265 PolarHBondContact O-N 3.08Å; N265-M267 VanDerWaalsContact C-N 3.26Å; N265-M267 PolarHBondContact O-N 3.1Å; N265-A268 PolarHBondContact O-N 2.99Å; N265-A268 VanDerWaalsContact O-N 3.1Å; N265-V269 VanDerWaalsContact O-CG2 3.32Å; N265-V269 WeakPolarHBondContact O-CG2 3.46Å; N265-V269 PolarHBondContact O-N 3.23Å; N265-A291 WeakPolarHBondContact OD1-CA 3.37Å; N265-M294 HydrophobicContact CB-CG 4.16Å
266	N	97	Very high	97.5	Very high	61 Å²	61	43.2 Å²	43.2	33%	0.326	21%	0.212	S	C	.	.	H	α-helix	trans	-60.2	-37.8	177.6	-76.2	-8.2	0	0	0	112	R262 A268 V269 H270	R262-N266 VanDerWaalsContact O-CB 3.22Å; R262-N266 WeakPolarHBondContact O-CB 3.34Å; R262-N266 PolarHBondContact O-N 3.4Å; R262-N266 PolarHBondContact O-ND2 3.26Å; N266-A268 VanDerWaalsContact C-N 3.32Å; N266-A268 PolarHBondContact O-N 3.28Å; N266-V269 PolarHBondContact O-N 3.2Å; N266-H270 WeakPolarHBondContact O-CB 3.36Å; N266-H270 PolarHBondContact O-N 2.96Å
267	M	97.4	Very high	97.5	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-44.4	175.2	-171.8	173.1	-172.3	0	0	111.2	F83 F85 T96 F98 D124 C125 P228 L263 L264 N265 S271	F83-M267 HydrophobicContact CD1-CG 4.14Å; F83-M267 HydrophobicContact CD2-CE 3.95Å; F83-M267 HydrophobicContact CD2-CG 4.2Å; F83-M267 HydrophobicContact CE1-CG 4.04Å; F83-M267 WeakPolarHBondContact CE1-O 3.16Å; F83-M267 HydrophobicContact CE2-CE 3.93Å; F83-M267 HydrophobicContact CE2-CG 4.08Å; F83-M267 HydrophobicContact CG-CG 4.23Å; F83-M267 HydrophobicContact CZ-CG 4.01Å; F85-M267 HydrophobicContact CZ-SD 3.87Å; T96-M267 HydrophobicContact CG2-CE 3.59Å; T96-M267 HydrophobicContact CG2-CG 4.25Å; F98-M267 HydrophobicContact CE1-CG 4.49Å; F98-M267 HydrophobicContact CE1-SD 4.42Å; F98-M267 HydrophobicContact CZ-CG 4.19Å; D124-M267 HydrophobicContact CB-CE 3.86Å; D124-M267 VanDerWaalsContact O-CE 3.24Å; D124-M267 WeakPolarHBondContact O-CE 3.1Å; C125-M267 HydrophobicContact CB-CE 3.87Å; C125-M267 HydrophobicContact CB-SD 3.76Å; P228-M267 HydrophobicContact CG-CE 4.23Å; P228-M267 HydrophobicContact CG-SD 3.85Å; L263-M267 PolarHBondContact O-N 3.27Å; L263-M267 VanDerWaalsContact O-N 3.09Å; L264-M267 WeakPolarHBondContact O-CB 3.39Å; L264-M267 PolarHBondContact O-N 2.76Å; N265-M267 VanDerWaalsContact C-N 3.26Å; N265-M267 PolarHBondContact O-N 3.1Å; M267-S271 PolarHBondContact O-N 2.82Å; M267-S271 PolarHBondContact O-OG 2.9Å
268	A	97.6	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-50.4	175.6	0	0	0	0	0	112.1	F98 L264 N265 N266 H270 S271 A291 R295	F98-A268 HydrophobicContact CZ-CB 3.96Å; L264-A268 PolarHBondContact O-N 2.8Å; N265-A268 PolarHBondContact O-N 2.99Å; N265-A268 VanDerWaalsContact O-N 3.1Å; N266-A268 VanDerWaalsContact C-N 3.32Å; N266-A268 PolarHBondContact O-N 3.28Å; A268-H270 VanDerWaalsContact C-N 3.27Å; A268-H270 PolarHBondContact O-N 3.06Å; A268-S271 WeakPolarHBondContact O-CB 3.48Å; A268-S271 PolarHBondContact O-N 2.95Å; A268-A291 HydrophobicContact CB-CB 4.24Å; A268-A291 VanDerWaalsContact CB-O 3.27Å; A268-A291 WeakPolarHBondContact CB-O 3.37Å; A268-R295 VanDerWaalsContact O-CD 3.26Å; A268-R295 WeakPolarHBondContact O-CD 3.39Å; A268-R295 PolarHBondContact O-NE 3.34Å
269	V	96.4	Very high	97.6	Very high	64 Å²	64	30 Å²	30	39%	0.388	14%	0.144	S	C	.	.	H	α-helix	trans	-57.4	-39.6	-179.1	178.2	0	0	0	0	111.8	N265 N266 S271 M294	N265-V269 VanDerWaalsContact O-CG2 3.32Å; N265-V269 WeakPolarHBondContact O-CG2 3.46Å; N265-V269 PolarHBondContact O-N 3.23Å; N266-V269 PolarHBondContact O-N 3.2Å; V269-S271 VanDerWaalsContact C-N 3.31Å; V269-S271 PolarHBondContact O-N 3.43Å; V269-M294 HydrophobicContact CG2-CB 3.55Å
270	H	94.6	Very high	97.6	Very high	88 Å²	88	29 Å²	29	41%	0.407	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	10.8	-178.3	-61.5	176.7	0	0	0	113.7	F83 R92 N266 A268	F83-H270 HydrophobicContact CD1-CB 4.45Å; F83-H270 HydrophobicContact CE1-CB 3.99Å; R92-H270 PolarHBondContact NH1-O 3.09Å; N266-H270 WeakPolarHBondContact O-CB 3.36Å; N266-H270 PolarHBondContact O-N 2.96Å; A268-H270 VanDerWaalsContact C-N 3.27Å; A268-H270 PolarHBondContact O-N 3.06Å
271	S	95.3	Very high	97.6	Very high	5 Å²	5	29.2 Å²	29.2	4%	0.035	15%	0.147	C	C	.	.			trans	-89.1	134.3	176.5	-69.3	0	0	0	0	112.1	F83 T96 M267 A268 V269 R295	F83-S271 WeakPolarHBondContact CZ-OG 3.26Å; T96-S271 WeakPolarHBondContact CB-OG 3.39Å; T96-S271 WeakPolarHBondContact OG1-CB 3.43Å; T96-S271 PolarHBondContact OG1-OG 3.19Å; M267-S271 PolarHBondContact O-N 2.82Å; M267-S271 PolarHBondContact O-OG 2.9Å; A268-S271 WeakPolarHBondContact O-CB 3.48Å; A268-S271 PolarHBondContact O-N 2.95Å; V269-S271 VanDerWaalsContact C-N 3.31Å; V269-S271 PolarHBondContact O-N 3.43Å; S271-R295 PolarHBondContact O-NH2 3.26Å
272	F	94.4	Very high	97.5	Very high	47 Å²	47	28.5 Å²	28.5	21%	0.206	15%	0.15	C	C	.	.	S	Bend	trans	-61.5	-53.2	175.7	-59.1	-73.9	0	0	0	111.8	P74 L78 R92 S93 R295	P74-F272 HydrophobicContact CB-CD1 4.39Å; P74-F272 HydrophobicContact CG-CB 4.03Å; P74-F272 HydrophobicContact CG-CD1 3.11Å; P74-F272 HydrophobicContact CG-CD2 4.03Å; P74-F272 HydrophobicContact CG-CE1 3.35Å; P74-F272 HydrophobicContact CG-CE2 4.23Å; P74-F272 HydrophobicContact CG-CG 3.47Å; P74-F272 VanDerWaalsContact CG-CG 3.47Å; P74-F272 HydrophobicContact CG-CZ 3.92Å; L78-F272 HydrophobicContact CB-CE1 3.87Å; L78-F272 HydrophobicContact CB-CZ 4.27Å; L78-F272 HydrophobicContact CD1-CD1 3.25Å; L78-F272 HydrophobicContact CD1-CE1 3.36Å; L78-F272 HydrophobicContact CD1-CG 4Å; L78-F272 HydrophobicContact CD1-CZ 4.16Å; L78-F272 HydrophobicContact CG-CD1 3.84Å; L78-F272 HydrophobicContact CG-CE1 3.5Å; L78-F272 VanDerWaalsContact CG-CE1 3.5Å; L78-F272 HydrophobicContact CG-CZ 4.35Å; R92-F272 HydrophobicContact CB-CE2 4.19Å; S93-F272 WeakPolarHBondContact O-CD2 3.5Å; F272-R295 PolarHBondContact O-NH2 3.46Å
273	K	96.4	Very high	97.4	Very high	82 Å²	82	26.4 Å²	26.4	36%	0.357	15%	0.149	S	C	.	.	S	Bend	trans	-130.4	160.2	166.6	-66.7	-176.2	176.2	178.4	0	109.4	A69 G94 C95 T96 D299 F300	A69-K273 HydrophobicContact CB-CD 4.24Å; G94-K273 WeakPolarHBondContact O-CB 3.3Å; G94-K273 PolarHBondContact O-N 2.7Å; C95-K273 CarbonylContact C-O 3.49Å; C95-K273 WeakPolarHBondContact CA-O 3.22Å; C95-K273 HydrophobicContact CB-CB 4.02Å; T96-K273 PolarHBondContact N-O 2.89Å; K273-D299 WeakPolarHBondContact CA-OD2 3.3Å; K273-D299 HydrophobicContact CB-CB 4.36Å; K273-F300 HydrophobicContact CB-CE2 4.4Å; K273-F300 HydrophobicContact CD-CE2 4.15Å; K273-F300 HydrophobicContact CD-CZ 4.39Å
274	T	98.6	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.7	174.7	55.5	0	0	0	0	111.4	T96 F98 N292 R295 A298 D299 F300	T96-T274 WeakPolarHBondContact O-CA 3.43Å; F98-T274 HydrophobicContact CE2-CG2 3.8Å; T274-N292 WeakPolarHBondContact CB-OD1 3.35Å; T274-N292 WeakPolarHBondContact CG2-OD1 3.33Å; T274-N292 PolarHBondContact OG1-OD1 3.26Å; T274-R295 VanDerWaalsContact CG2-CD 3.41Å; T274-R295 WeakPolarHBondContact OG1-CD 3.48Å; T274-R295 PolarHBondContact OG1-NH1 3.37Å; T274-A298 VanDerWaalsContact OG1-CA 3.31Å; T274-A298 WeakPolarHBondContact OG1-CA 3.42Å; T274-D299 PolarHBondContact N-OD2 3.41Å; T274-D299 WeakPolarHBondContact O-CB 3.31Å; T274-D299 PolarHBondContact O-N 3.15Å; T274-F300 PolarHBondContact O-N 3.1Å
275	G	98.8	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.4	171.4	0	0	0	0	0	109.9	T96 I97 F98 F300	T96-G275 PolarHBondContact O-N 2.92Å; I97-G275 CarbonylContact C-O 3.6Å; I97-G275 WeakPolarHBondContact CA-O 3.18Å; F98-G275 PolarHBondContact N-O 3.28Å; G275-F300 WeakPolarHBondContact CA-O 3.4Å
276	M	98.8	Very high	97.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.2	175.5	-59.1	-174.8	-56.9	0	0	109.9	M66 V288 Y289 N292 A298 F300 S301 V302 I328	M66-M276 WeakPolarHBondContact CE-O 3.5Å; M276-V288 HydrophobicContact CB-CG1 4.14Å; M276-V288 HydrophobicContact CG-CG1 3.82Å; M276-V288 HydrophobicContact SD-CG1 3.8Å; M276-Y289 HydrophobicContact CE-CD1 4.11Å; M276-Y289 HydrophobicContact CE-CD2 3.85Å; M276-Y289 HydrophobicContact CE-CE1 4.03Å; M276-Y289 HydrophobicContact CE-CE2 3.75Å; M276-Y289 HydrophobicContact CE-CG 4.02Å; M276-Y289 HydrophobicContact SD-CD2 3.73Å; M276-Y289 HydrophobicContact SD-CE2 4.06Å; M276-Y289 HydrophobicContact SD-CG 4.13Å; M276-N292 HydrophobicContact SD-CB 3.91Å; M276-N292 PolarHBondContact SD-ND2 3.01Å; M276-N292 VanDerWaalsContact SD-ND2 3.43Å; M276-A298 HydrophobicContact CE-CB 3.53Å; M276-A298 HydrophobicContact CG-CB 3.8Å; M276-A298 HydrophobicContact SD-CB 3.83Å; M276-F300 PolarHBondContact N-O 3.4Å; M276-S301 CarbonylContact O-C 3.29Å; M276-S301 WeakPolarHBondContact O-CA 3.32Å; M276-V302 PolarHBondContact O-N 3.33Å; M276-I328 HydrophobicContact CE-CD1 4.19Å; M276-I328 HydrophobicContact CE-CG1 3.64Å
277	I	98.9	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.2	169.1	-56.7	175.4	0	0	0	106.9	V63 M66 I97 F98 L99 G100 L279 V302 F345 F353	V63-I277 HydrophobicContact CG1-CD1 4.21Å; V63-I277 HydrophobicContact CG2-CD1 3.76Å; V63-I277 HydrophobicContact CG2-CG1 4.19Å; M66-I277 HydrophobicContact CE-CG1 4.07Å; M66-I277 HydrophobicContact SD-CD1 4.05Å; M66-I277 HydrophobicContact SD-CG1 3.85Å; I97-I277 HydrophobicContact CG2-CD1 4.04Å; I97-I277 HydrophobicContact CG2-CG1 4.35Å; F98-I277 PolarHBondContact O-N 2.99Å; L99-I277 CarbonylContact C-O 3.32Å; L99-I277 WeakPolarHBondContact CA-O 3.5Å; L99-I277 HydrophobicContact CD1-CB 4.05Å; L99-I277 HydrophobicContact CD1-CG2 3.9Å; G100-I277 PolarHBondContact N-O 2.98Å; I277-L279 HydrophobicContact CG2-CD2 4.41Å; I277-V302 WeakPolarHBondContact CA-O 3.28Å; I277-F345 HydrophobicContact CG2-CE2 4.19Å; I277-F353 HydrophobicContact CD1-CE2 3.73Å; I277-F353 HydrophobicContact CD1-CZ 3.55Å
278	V	98.9	Very high	97.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.3	-176.6	178.5	0	0	0	0	111.1	G100 K285 V288 Y289 V302 L303 I304	G100-V278 CarbonylContact O-C 3.6Å; G100-V278 WeakPolarHBondContact O-CA 3.29Å; V278-K285 HydrophobicContact CG1-CB 3.86Å; V278-K285 HydrophobicContact CG1-CG 4.3Å; V278-V288 HydrophobicContact CG2-CB 4.39Å; V278-V288 HydrophobicContact CG2-CG1 4.21Å; V278-Y289 HydrophobicContact CG2-CD2 4.39Å; V278-Y289 HydrophobicContact CG2-CE2 3.82Å; V278-V302 PolarHBondContact N-O 3.38Å; V278-L303 HydrophobicContact CB-CD1 3.97Å; V278-L303 HydrophobicContact CG1-CD1 3.91Å; V278-I304 PolarHBondContact O-N 2.9Å
279	L	98.9	Very high	97.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	97.6	179.1	-47.4	-178	0	0	0	109.9	G100 Y101 T102 M105 I110 I277 I304 A341 F345	G100-L279 PolarHBondContact O-N 3.33Å; Y101-L279 WeakPolarHBondContact CA-O 3.37Å; T102-L279 PolarHBondContact N-O 3.32Å; T102-L279 VanDerWaalsContact N-O 3.13Å; T102-L279 PolarHBondContact OG1-O 3.1Å; T102-L279 VanDerWaalsContact OG1-O 3.13Å; M105-L279 HydrophobicContact CG-CB 4.13Å; M105-L279 HydrophobicContact SD-CB 4.41Å; I110-L279 HydrophobicContact CG2-CD1 4.27Å; I277-L279 HydrophobicContact CG2-CD2 4.41Å; L279-I304 HydrophobicContact CD2-CB 4.02Å; L279-I304 HydrophobicContact CD2-CD1 3.9Å; L279-I304 HydrophobicContact CD2-CG1 4.19Å; L279-A341 HydrophobicContact CB-CB 4.24Å; L279-A341 HydrophobicContact CD2-CB 4.45Å; L279-F345 HydrophobicContact CD1-CB 4.38Å; L279-F345 HydrophobicContact CD1-CD1 3.76Å; L279-F345 HydrophobicContact CD1-CD2 3.75Å; L279-F345 HydrophobicContact CD1-CE1 3.81Å; L279-F345 HydrophobicContact CD1-CE2 3.81Å; L279-F345 HydrophobicContact CD1-CG 3.71Å; L279-F345 HydrophobicContact CD1-CZ 3.82Å; L279-F345 HydrophobicContact CD2-CB 4.34Å; L279-F345 HydrophobicContact CD2-CD2 3.47Å; L279-F345 VanDerWaalsContact CD2-CD2 3.47Å; L279-F345 HydrophobicContact CD2-CE2 3.87Å; L279-F345 HydrophobicContact CD2-CG 4.01Å; L279-F345 HydrophobicContact CG-CD2 4.23Å; L279-F345 HydrophobicContact CG-CE2 4.32Å
280	G	98.5	Very high	97.7	Very high	13 Å²	13	25.8 Å²	25.8	13%	0.134	14%	0.14	C	C	.	.	S	Bend	trans	103.2	-144.2	-174.6	0	0	0	0	0	112.9	L303 I304	G280-L303 WeakPolarHBondContact O-CD1 3.26Å; G280-I304 PolarHBondContact N-O 3.17Å
281	G	97.8	Very high	97.9	Very high	12 Å²	12	21.6 Å²	21.6	12%	0.124	12%	0.121	C	C	.	.			trans	-149.2	-147	-172.5	0	0	0	0	0	113.3
282	G	97.1	Very high	98.1	Very high	39 Å²	39	21.4 Å²	21.4	40%	0.402	12%	0.119	S	C	.	.	H	α-helix	trans	66.1	-150.9	173.8	0	0	0	0	0	113.8	I284 K285 H286	G282-I284 PolarHBondContact O-N 3.33Å; G282-I284 VanDerWaalsContact O-N 3.1Å; G282-K285 PolarHBondContact O-N 2.92Å; G282-H286 PolarHBondContact O-N 3.46Å; G282-H286 VanDerWaalsContact O-N 3.1Å
283	L	96.2	Very high	98.3	Very high	97 Å²	97	21.6 Å²	21.6	51%	0.508	12%	0.122	S	C	.	.	H	α-helix	trans	-53.8	-35.9	-175.7	-176.7	61	0	0	0	112.4	P232 H286 H287	P232-L283 HydrophobicContact CB-CD1 4.43Å; P232-L283 HydrophobicContact CB-CD2 3.94Å; P232-L283 HydrophobicContact CB-CG 4.25Å; P232-L283 HydrophobicContact CG-CD1 4.16Å; P232-L283 HydrophobicContact CG-CD2 3.56Å; P232-L283 HydrophobicContact CG-CG 3.59Å; L283-H286 PolarHBondContact O-N 3.48Å; L283-H287 VanDerWaalsContact O-CB 3.24Å; L283-H287 WeakPolarHBondContact O-CB 3.17Å; L283-H287 PolarHBondContact O-N 3.12Å
284	I	97.7	Very high	98.4	Very high	7 Å²	7	22 Å²	22	4%	0.036	13%	0.127	C	C	.	.	H	α-helix	trans	-67	-51.2	-177.8	-64.5	151.5	0	0	0	111.6	Y101 T102 V127 S129 G282 H286 H287 V288	Y101-I284 WeakPolarHBondContact O-CD1 3.37Å; T102-I284 VanDerWaalsContact CA-CD1 3.49Å; T102-I284 HydrophobicContact CG2-CD1 3.93Å; V127-I284 HydrophobicContact CB-CG2 4.36Å; V127-I284 HydrophobicContact CG1-CG2 4.2Å; V127-I284 VanDerWaalsContact O-CG2 3.24Å; V127-I284 WeakPolarHBondContact O-CG2 2.9Å; S129-I284 WeakPolarHBondContact OG-CD1 3.1Å; G282-I284 PolarHBondContact O-N 3.33Å; G282-I284 VanDerWaalsContact O-N 3.1Å; I284-H286 VanDerWaalsContact C-N 3.31Å; I284-H286 PolarHBondContact O-N 3.32Å; I284-H287 PolarHBondContact O-N 3.27Å; I284-V288 WeakPolarHBondContact O-CG2 3.33Å; I284-V288 PolarHBondContact O-N 3.29Å; I284-V288 VanDerWaalsContact O-N 3.13Å
285	K	98.5	Very high	98.3	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.022	14%	0.136	C	C	.	.	H	α-helix	trans	-54.8	-52.7	174.7	173.4	178.6	168.2	-83.6	0	109.5	V278 G282 H287 V288 Y289 L303 D314	V278-K285 HydrophobicContact CG1-CB 3.86Å; V278-K285 HydrophobicContact CG1-CG 4.3Å; G282-K285 PolarHBondContact O-N 2.92Å; K285-H287 VanDerWaalsContact C-N 3.33Å; K285-H287 PolarHBondContact O-N 3.47Å; K285-V288 PolarHBondContact O-N 2.99Å; K285-Y289 HydrophobicContact CG-CD2 4.07Å; K285-Y289 HydrophobicContact CG-CE2 4.02Å; K285-Y289 WeakPolarHBondContact O-CB 3.43Å; K285-Y289 WeakPolarHBondContact O-CD2 3.1Å; K285-Y289 PolarHBondContact O-N 3.29Å; K285-L303 HydrophobicContact CD-CD1 4.21Å; K285-L303 HydrophobicContact CD-CD2 4.37Å; K285-D314 WeakPolarHBondContact CE-O 3.36Å; K285-D314 PolarHBondContact NZ-O 3.43Å; K285-D314 IonicContact NZ-OD1 3.41Å; K285-D314 PolarHBondContact NZ-OD1 3.15Å; K285-D314 IonicContact NZ-OD2 2.72Å; K285-D314 PolarHBondContact NZ-OD2 2.87Å; K285-D314 VanDerWaalsContact NZ-OD2 3.08Å
286	H	98.6	Very high	98.3	Very high	67 Å²	67	30.7 Å²	30.7	31%	0.31	17%	0.169	S	C	.	.	H	α-helix	trans	-61.5	-41.4	-175.9	-168.5	-86.1	0	0	0	112.1	G282 L283 I284 Y289 N290 D314 K327	G282-H286 PolarHBondContact O-N 3.46Å; G282-H286 VanDerWaalsContact O-N 3.1Å; L283-H286 PolarHBondContact O-N 3.48Å; I284-H286 VanDerWaalsContact C-N 3.31Å; I284-H286 PolarHBondContact O-N 3.32Å; H286-Y289 PolarHBondContact O-N 3.18Å; H286-N290 WeakPolarHBondContact O-CB 3.44Å; H286-N290 PolarHBondContact O-N 2.92Å; H286-D314 IonicContact CD2-OD2 3.06Å; H286-K327 PolarHBondContact CD2-NZ 3.48Å; H286-K327 PolarHBondContact NE2-NZ 2.95Å
287	H	98.5	Very high	98.2	Very high	29 Å²	29	30.8 Å²	30.8	13%	0.134	17%	0.17	C	C	.	.	H	α-helix	trans	-68.1	-41	-177.7	-147.4	64.6	0	0	0	112.6	V127 P232 L264 L283 I284 K285 A291	V127-H287 HydrophobicContact CG1-CB 4.22Å; P232-H287 HydrophobicContact CG-CB 4.28Å; L264-H287 WeakPolarHBondContact CD2-CD2 3.34Å; L283-H287 VanDerWaalsContact O-CB 3.24Å; L283-H287 WeakPolarHBondContact O-CB 3.17Å; L283-H287 PolarHBondContact O-N 3.12Å; I284-H287 PolarHBondContact O-N 3.27Å; K285-H287 VanDerWaalsContact C-N 3.33Å; K285-H287 PolarHBondContact O-N 3.47Å; H287-A291 PolarHBondContact O-N 3.06Å; H287-A291 VanDerWaalsContact O-N 3.11Å
288	V	98.7	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-45.8	173.5	173.1	0	0	0	0	111.1	F98 V127 M276 V278 I284 K285 A291 N292	F98-V288 HydrophobicContact CB-CG1 3.74Å; F98-V288 HydrophobicContact CG-CG1 4.46Å; V127-V288 HydrophobicContact CB-CG2 3.59Å; V127-V288 HydrophobicContact CG1-CG2 4.18Å; V127-V288 HydrophobicContact CG2-CG2 3.5Å; V127-V288 VanDerWaalsContact CG2-CG2 3.5Å; M276-V288 HydrophobicContact CB-CG1 4.14Å; M276-V288 HydrophobicContact CG-CG1 3.82Å; M276-V288 HydrophobicContact SD-CG1 3.8Å; V278-V288 HydrophobicContact CG2-CB 4.39Å; V278-V288 HydrophobicContact CG2-CG1 4.21Å; I284-V288 WeakPolarHBondContact O-CG2 3.33Å; I284-V288 PolarHBondContact O-N 3.29Å; I284-V288 VanDerWaalsContact O-N 3.13Å; K285-V288 PolarHBondContact O-N 2.99Å; V288-A291 PolarHBondContact O-N 2.87Å; V288-N292 PolarHBondContact O-N 3.41Å; V288-N292 PolarHBondContact O-ND2 3.32Å
289	Y	98.7	Very high	98.2	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-68.6	-41.9	-178	-82.6	-130.5	0	0	0	111.4	M276 V278 K285 H286 A291 N292 L293 S301 A322 K327 I328	M276-Y289 HydrophobicContact CE-CD1 4.11Å; M276-Y289 HydrophobicContact CE-CD2 3.85Å; M276-Y289 HydrophobicContact CE-CE1 4.03Å; M276-Y289 HydrophobicContact CE-CE2 3.75Å; M276-Y289 HydrophobicContact CE-CG 4.02Å; M276-Y289 HydrophobicContact SD-CD2 3.73Å; M276-Y289 HydrophobicContact SD-CE2 4.06Å; M276-Y289 HydrophobicContact SD-CG 4.13Å; V278-Y289 HydrophobicContact CG2-CD2 4.39Å; V278-Y289 HydrophobicContact CG2-CE2 3.82Å; K285-Y289 HydrophobicContact CG-CD2 4.07Å; K285-Y289 HydrophobicContact CG-CE2 4.02Å; K285-Y289 WeakPolarHBondContact O-CB 3.43Å; K285-Y289 WeakPolarHBondContact O-CD2 3.1Å; K285-Y289 PolarHBondContact O-N 3.29Å; H286-Y289 PolarHBondContact O-N 3.18Å; Y289-A291 VanDerWaalsContact C-N 3.31Å; Y289-A291 PolarHBondContact O-N 3.28Å; Y289-N292 PolarHBondContact O-N 3.02Å; Y289-N292 VanDerWaalsContact O-N 3.12Å; Y289-L293 PolarHBondContact O-N 2.66Å; Y289-S301 PolarHBondContact OH-OG 3.17Å; Y289-A322 HydrophobicContact CD1-CB 3.66Å; Y289-A322 HydrophobicContact CE1-CB 3.66Å; Y289-K327 HydrophobicContact CD1-CB 4.21Å; Y289-I328 HydrophobicContact CD1-CG1 4.48Å; Y289-I328 HydrophobicContact CE1-CD1 3.73Å; Y289-I328 HydrophobicContact CE1-CG1 4.14Å
290	N	98.7	Very high	98.2	Very high	48 Å²	48	33.3 Å²	33.3	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-68.6	-29.2	-179.7	-163.9	71.5	0	0	0	112.8	H286 N292 L293	H286-N290 WeakPolarHBondContact O-CB 3.44Å; H286-N290 PolarHBondContact O-N 2.92Å; N290-N292 VanDerWaalsContact C-N 3.33Å; N290-L293 WeakPolarHBondContact O-CB 3.3Å; N290-L293 PolarHBondContact O-N 3.05Å
291	A	98.7	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-41.1	169.9	0	0	0	0	0	111.4	L264 N265 A268 H287 V288 Y289 L293 M294	L264-A291 HydrophobicContact CD1-CB 4.2Å; L264-A291 HydrophobicContact CD2-CB 4.04Å; L264-A291 HydrophobicContact CG-CB 3.72Å; N265-A291 WeakPolarHBondContact OD1-CA 3.37Å; A268-A291 HydrophobicContact CB-CB 4.24Å; A268-A291 VanDerWaalsContact CB-O 3.27Å; A268-A291 WeakPolarHBondContact CB-O 3.37Å; H287-A291 PolarHBondContact O-N 3.06Å; H287-A291 VanDerWaalsContact O-N 3.11Å; V288-A291 PolarHBondContact O-N 2.87Å; Y289-A291 VanDerWaalsContact C-N 3.31Å; Y289-A291 PolarHBondContact O-N 3.28Å; A291-L293 VanDerWaalsContact C-N 3.33Å; A291-L293 PolarHBondContact O-N 3.27Å; A291-M294 WeakPolarHBondContact O-CB 3.16Å; A291-M294 PolarHBondContact O-N 3.14Å
292	N	98.8	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-75.8	-18.4	179.9	-75.5	-77.6	0	0	0	113.8	T274 M276 V288 Y289 N290 M294 R295 G297 A298	T274-N292 WeakPolarHBondContact CB-OD1 3.35Å; T274-N292 WeakPolarHBondContact CG2-OD1 3.33Å; T274-N292 PolarHBondContact OG1-OD1 3.26Å; M276-N292 HydrophobicContact SD-CB 3.91Å; M276-N292 PolarHBondContact SD-ND2 3.01Å; M276-N292 VanDerWaalsContact SD-ND2 3.43Å; V288-N292 PolarHBondContact O-N 3.41Å; V288-N292 PolarHBondContact O-ND2 3.32Å; Y289-N292 PolarHBondContact O-N 3.02Å; Y289-N292 VanDerWaalsContact O-N 3.12Å; N290-N292 VanDerWaalsContact C-N 3.33Å; N292-M294 PolarHBondContact O-N 3.16Å; N292-R295 WeakPolarHBondContact O-CG 3.32Å; N292-R295 PolarHBondContact O-N 3.36Å; N292-G297 WeakPolarHBondContact O-CA 3.21Å; N292-G297 PolarHBondContact O-N 2.94Å; N292-A298 HydrophobicContact CB-CB 4.09Å
293	L	98.5	Very high	98.3	Very high	52 Å²	52	30.3 Å²	30.3	27%	0.272	15%	0.152	S	C	.	.	H	α-helix	trans	-56.1	-38.3	165.3	175.7	59.2	0	0	0	111.8	Y289 N290 A291 R295 N296 W325 K327	Y289-L293 PolarHBondContact O-N 2.66Å; N290-L293 WeakPolarHBondContact O-CB 3.3Å; N290-L293 PolarHBondContact O-N 3.05Å; A291-L293 VanDerWaalsContact C-N 3.33Å; A291-L293 PolarHBondContact O-N 3.27Å; L293-R295 PolarHBondContact O-N 2.99Å; L293-N296 PolarHBondContact O-N 3.24Å; L293-W325 WeakPolarHBondContact CD1-O 3.44Å; L293-K327 HydrophobicContact CB-CG 4.03Å
294	M	98.1	Very high	98.5	Very high	90 Å²	90	25.8 Å²	25.8	44%	0.443	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.6	-175.9	-57.8	-63.5	152.8	0	0	113.5	N265 V269 A291 N292	N265-M294 HydrophobicContact CB-CG 4.16Å; V269-M294 HydrophobicContact CG2-CB 3.55Å; A291-M294 WeakPolarHBondContact O-CB 3.16Å; A291-M294 PolarHBondContact O-N 3.14Å; N292-M294 PolarHBondContact O-N 3.16Å
295	R	97.1	Very high	98.5	Very high	53 Å²	53	25.8 Å²	25.8	20%	0.2	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	16.1	174.2	67.9	177.8	-52.9	-90.4	6.3	113.4	A268 S271 F272 T274 N292 L293 G297 D299	A268-R295 VanDerWaalsContact O-CD 3.26Å; A268-R295 WeakPolarHBondContact O-CD 3.39Å; A268-R295 PolarHBondContact O-NE 3.34Å; S271-R295 PolarHBondContact O-NH2 3.26Å; F272-R295 PolarHBondContact O-NH2 3.46Å; T274-R295 VanDerWaalsContact CG2-CD 3.41Å; T274-R295 WeakPolarHBondContact OG1-CD 3.48Å; T274-R295 PolarHBondContact OG1-NH1 3.37Å; N292-R295 WeakPolarHBondContact O-CG 3.32Å; N292-R295 PolarHBondContact O-N 3.36Å; L293-R295 PolarHBondContact O-N 2.99Å; R295-G297 PolarHBondContact NH1-O 3.03Å; R295-D299 IonicContact CZ-OD2 3.42Å; R295-D299 IonicContact NH1-OD2 2.75Å; R295-D299 PolarHBondContact NH1-OD2 3.29Å; R295-D299 IonicContact NH2-OD2 3.28Å; R295-D299 PolarHBondContact NH2-OD2 3.09Å
296	N	97.8	Very high	98.5	Very high	130 Å²	130	30 Å²	30	70%	0.695	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	37.8	-176.1	-155.6	34.5	0	0	0	114.1	L293 G326	L293-N296 PolarHBondContact O-N 3.24Å; N296-G326 CarbonylContact C-O 3.52Å
297	G	98.2	Very high	98.5	Very high	1 Å²	1	28 Å²	28	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	105.9	151.7	168.3	0	0	0	0	0	114.5	N292 R295 G326 K327	N292-G297 WeakPolarHBondContact O-CA 3.21Å; N292-G297 PolarHBondContact O-N 2.94Å; R295-G297 PolarHBondContact NH1-O 3.03Å; G297-G326 WeakPolarHBondContact CA-O 3.48Å; G297-G326 PolarHBondContact N-O 3.39Å; G297-K327 WeakPolarHBondContact CA-O 3.4Å
298	A	98.6	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-75.2	147.5	172.8	0	0	0	0	0	112.4	T274 M276 N292 K327 S329	T274-A298 VanDerWaalsContact OG1-CA 3.31Å; T274-A298 WeakPolarHBondContact OG1-CA 3.42Å; M276-A298 HydrophobicContact CE-CB 3.53Å; M276-A298 HydrophobicContact CG-CB 3.8Å; M276-A298 HydrophobicContact SD-CB 3.83Å; N292-A298 HydrophobicContact CB-CB 4.09Å; A298-K327 PolarHBondContact N-O 3.17Å; A298-K327 VanDerWaalsContact N-O 3.1Å; A298-S329 WeakPolarHBondContact O-CB 3.4Å; A298-S329 PolarHBondContact O-N 3.34Å
299	D	98.6	Very high	98.4	Very high	43 Å²	43	36.7 Å²	36.7	23%	0.23	19%	0.191	C	C	.	.	S	Bend	trans	-77.8	-29.8	178.9	-58.4	-98.5	0	0	0	112.2	K273 T274 R295 S332	K273-D299 WeakPolarHBondContact CA-OD2 3.3Å; K273-D299 HydrophobicContact CB-CB 4.36Å; T274-D299 PolarHBondContact N-OD2 3.41Å; T274-D299 WeakPolarHBondContact O-CB 3.31Å; T274-D299 PolarHBondContact O-N 3.15Å; R295-D299 IonicContact CZ-OD2 3.42Å; R295-D299 IonicContact NH1-OD2 2.75Å; R295-D299 PolarHBondContact NH1-OD2 3.29Å; R295-D299 IonicContact NH2-OD2 3.28Å; R295-D299 PolarHBondContact NH2-OD2 3.09Å; D299-S332 WeakPolarHBondContact O-CB 3.44Å
300	F	98.7	Very high	98.4	Very high	13 Å²	13	45.1 Å²	45.1	6%	0.057	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.1	-178.8	-46.2	-83.5	0	0	0	110	E62 R65 M66 A69 K273 T274 G275 M276	E62-F300 HydrophobicContact CG-CB 4.32Å; E62-F300 WeakPolarHBondContact OE1-CA 3.47Å; E62-F300 WeakPolarHBondContact OE1-CB 3.49Å; E62-F300 WeakPolarHBondContact OE1-CD1 3.28Å; R65-F300 HydrophobicContact CB-CD1 4.01Å; R65-F300 HydrophobicContact CB-CE1 3.68Å; R65-F300 HydrophobicContact CB-CZ 4.49Å; M66-F300 HydrophobicContact CE-CB 3.47Å; M66-F300 VanDerWaalsContact CE-CB 3.47Å; M66-F300 HydrophobicContact CG-CB 3.46Å; M66-F300 VanDerWaalsContact CG-CB 3.46Å; M66-F300 HydrophobicContact CG-CD1 4.4Å; M66-F300 HydrophobicContact CG-CD2 3.85Å; M66-F300 HydrophobicContact CG-CG 3.66Å; M66-F300 HydrophobicContact SD-CB 4.19Å; A69-F300 HydrophobicContact CB-CE2 3.9Å; A69-F300 HydrophobicContact CB-CZ 3.93Å; K273-F300 HydrophobicContact CB-CE2 4.4Å; K273-F300 HydrophobicContact CD-CE2 4.15Å; K273-F300 HydrophobicContact CD-CZ 4.39Å; T274-F300 PolarHBondContact O-N 3.1Å; G275-F300 WeakPolarHBondContact CA-O 3.4Å; M276-F300 PolarHBondContact N-O 3.4Å
301	S	98.7	Very high	98.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	128.5	179	-177	0	0	0	0	112.4	M276 Y289 I328 P334 V335	M276-S301 CarbonylContact O-C 3.29Å; M276-S301 WeakPolarHBondContact O-CA 3.32Å; Y289-S301 PolarHBondContact OH-OG 3.17Å; S301-I328 WeakPolarHBondContact OG-CD1 3.31Å; S301-P334 WeakPolarHBondContact O-CA 3.49Å; S301-V335 PolarHBondContact O-N 3.11Å
302	V	98.9	Very high	98.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.5	170.8	174.5	0	0	0	0	109.2	A59 E62 V63 M66 M276 I277 V278 I304 V335 L348	A59-V302 HydrophobicContact CB-CG1 3.74Å; A59-V302 HydrophobicContact CB-CG2 4.19Å; E62-V302 HydrophobicContact CB-CG2 3.64Å; E62-V302 HydrophobicContact CG-CG2 3.73Å; V63-V302 HydrophobicContact CG2-CG2 4.01Å; M66-V302 HydrophobicContact CE-CG2 4.09Å; M276-V302 PolarHBondContact O-N 3.33Å; I277-V302 WeakPolarHBondContact CA-O 3.28Å; V278-V302 PolarHBondContact N-O 3.38Å; V302-I304 HydrophobicContact CG1-CG1 4.3Å; V302-V335 CarbonylContact C-O 3.18Å; V302-V335 WeakPolarHBondContact CA-O 3.29Å; V302-L348 HydrophobicContact CG1-CD1 4.17Å
303	L	98.9	Very high	98.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.9	175.1	176.9	61.5	0	0	0	109.3	V278 G280 K285 V335 K336 V337	V278-L303 HydrophobicContact CB-CD1 3.97Å; V278-L303 HydrophobicContact CG1-CD1 3.91Å; G280-L303 WeakPolarHBondContact O-CD1 3.26Å; K285-L303 HydrophobicContact CD-CD1 4.21Å; K285-L303 HydrophobicContact CD-CD2 4.37Å; L303-V335 PolarHBondContact N-O 2.85Å; L303-K336 HydrophobicContact CB-CB 4.47Å; L303-K336 HydrophobicContact CB-CG 4.38Å; L303-K336 HydrophobicContact CD2-CD 4.15Å; L303-K336 HydrophobicContact CD2-CG 4.04Å; L303-K336 HydrophobicContact CG-CG 4.21Å; L303-K336 CarbonylContact O-C 3.55Å; L303-K336 VanDerWaalsContact O-CA 3.3Å; L303-K336 WeakPolarHBondContact O-CA 3.45Å; L303-V337 PolarHBondContact O-N 3.26Å
304	I	98.9	Very high	98.2	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	108.8	169.9	-55.2	179.5	0	0	0	107.2	V278 L279 G280 V302 V337 A341 A344 F345 L348	V278-I304 PolarHBondContact O-N 2.9Å; L279-I304 HydrophobicContact CD2-CB 4.02Å; L279-I304 HydrophobicContact CD2-CD1 3.9Å; L279-I304 HydrophobicContact CD2-CG1 4.19Å; G280-I304 PolarHBondContact N-O 3.17Å; V302-I304 HydrophobicContact CG1-CG1 4.3Å; I304-V337 WeakPolarHBondContact CA-O 3.22Å; I304-V337 HydrophobicContact CG1-CB 4.21Å; I304-V337 HydrophobicContact CG1-CG2 4.44Å; I304-A341 HydrophobicContact CG2-CB 3.89Å; I304-A344 HydrophobicContact CD1-CB 4.14Å; I304-A344 HydrophobicContact CG2-CB 3.9Å; I304-F345 HydrophobicContact CD1-CB 4.4Å; I304-F345 HydrophobicContact CD1-CD2 4.29Å; I304-L348 HydrophobicContact CD1-CD1 4.29Å
305	S	98.6	Very high	98.1	Very high	7 Å²	7	48.9 Å²	48.9	5%	0.049	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.3	-174.3	-177.2	0	0	0	0	111.1	A307 V337 V338 C339	S305-A307 PolarHBondContact OG-N 2.98Å; S305-V337 PolarHBondContact N-O 3.42Å; S305-V337 VanDerWaalsContact N-O 3.14Å; S305-V338 VanDerWaalsContact O-CA 3.3Å; S305-V338 WeakPolarHBondContact O-CA 3.27Å; S305-C339 PolarHBondContact O-N 3.47Å
306	T	98.6	Very high	98.2	Very high	94 Å²	94	46.4 Å²	46.4	58%	0.577	26%	0.263	S	S	*	.			trans	-97.3	-6.4	173.4	54.2	0	0	0	0	112.9	Q308	T306-Q308 PolarHBondContact O-NE2 3.38Å
307	A	98.2	Very high	98.1	Very high	25 Å²	25	40.4 Å²	40.4	21%	0.207	23%	0.231	C	C	.	.			trans	-72	147.6	-177.5	0	0	0	0	0	112.3	S305 A315 K336	S305-A307 PolarHBondContact OG-N 2.98Å; A307-A315 HydrophobicContact CB-CB 4.17Å; A307-A315 VanDerWaalsContact CB-O 3.32Å; A307-A315 WeakPolarHBondContact CB-O 3.35Å; A307-K336 PolarHBondContact O-NZ 3.47Å
308	Q	97.9	Very high	98.1	Very high	84 Å²	84	43.6 Å²	43.6	39%	0.393	25%	0.246	S	C	.	.			trans	-117.6	150.8	-171.2	-55.8	-60	-43.1	0	0	110.5	T306 F310 G316	T306-Q308 PolarHBondContact O-NE2 3.38Å; Q308-F310 HydrophobicContact CB-CD1 3.61Å; Q308-F310 HydrophobicContact CB-CE1 3.61Å; Q308-F310 HydrophobicContact CG-CD1 4.49Å; Q308-F310 HydrophobicContact CG-CE1 4.16Å; Q308-F310 PolarHBondContact O-N 3.37Å; Q308-G316 WeakPolarHBondContact O-CA 3.4Å
309	E	97.4	Very high	98.1	Very high	128 Å²	128	44 Å²	44	60%	0.598	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-73	-23.7	-173	64.8	178.3	-171.9	0	0	115.1	D311 G312	E309-D311 PolarHBondContact O-N 2.88Å; E309-G312 PolarHBondContact O-N 3.44Å
310	F	97.5	Very high	98	Very high	177 Å²	177	47.9 Å²	47.9	78%	0.776	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-64.6	-17.6	-163.9	70.7	-98.7	0	0	0	114.9	Q308	Q308-F310 HydrophobicContact CB-CD1 3.61Å; Q308-F310 HydrophobicContact CB-CE1 3.61Å; Q308-F310 HydrophobicContact CG-CD1 4.49Å; Q308-F310 HydrophobicContact CG-CE1 4.16Å; Q308-F310 PolarHBondContact O-N 3.37Å
311	D	97.8	Very high	98	Very high	98 Å²	98	51.4 Å²	51.4	52%	0.524	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-94.9	0.5	-179.5	66.9	9.9	0	0	0	113.6	E309 S313	E309-D311 PolarHBondContact O-N 2.88Å; D311-S313 PolarHBondContact O-N 2.87Å; D311-S313 WeakPolarHBondContact OD1-CB 3.41Å; D311-S313 PolarHBondContact OD1-N 3.5Å; D311-S313 PolarHBondContact OD1-OG 3.16Å
312	G	97.3	Very high	98	Very high	69 Å²	69	51.7 Å²	51.7	71%	0.711	29%	0.288	S	S	*	.			trans	69.2	17.6	-179.7	0	0	0	0	0	114.2	E309	E309-G312 PolarHBondContact O-N 3.44Å
313	S	98.2	Very high	97.9	Very high	34 Å²	34	53.1 Å²	53.1	24%	0.238	30%	0.297	C	S	.	.			trans	-78.4	140.5	178.6	66.8	0	0	0	0	112.6	D311 A315 G316 A317	D311-S313 PolarHBondContact O-N 2.87Å; D311-S313 WeakPolarHBondContact OD1-CB 3.41Å; D311-S313 PolarHBondContact OD1-N 3.5Å; D311-S313 PolarHBondContact OD1-OG 3.16Å; S313-A315 PolarHBondContact O-N 3.22Å; S313-G316 PolarHBondContact O-N 2.91Å; S313-G316 PolarHBondContact OG-N 2.97Å; S313-G316 VanDerWaalsContact OG-N 3.11Å; S313-A317 PolarHBondContact O-N 3.5Å
314	D	97.9	Very high	97.9	Very high	44 Å²	44	57.6 Å²	57.6	24%	0.235	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.7	169.1	175	-87.7	0	0	0	110.8	K285 H286 G316 A317	K285-D314 WeakPolarHBondContact CE-O 3.36Å; K285-D314 PolarHBondContact NZ-O 3.43Å; K285-D314 IonicContact NZ-OD1 3.41Å; K285-D314 PolarHBondContact NZ-OD1 3.15Å; K285-D314 IonicContact NZ-OD2 2.72Å; K285-D314 PolarHBondContact NZ-OD2 2.87Å; K285-D314 VanDerWaalsContact NZ-OD2 3.08Å; H286-D314 IonicContact CD2-OD2 3.06Å; D314-G316 VanDerWaalsContact C-N 3.27Å; D314-G316 PolarHBondContact O-N 3.41Å; D314-A317 PolarHBondContact O-N 3.13Å
315	A	97.3	Very high	97.8	Very high	25 Å²	25	64.9 Å²	64.9	21%	0.207	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-38.3	178	0	0	0	0	0	112.6	A307 S313	A307-A315 HydrophobicContact CB-CB 4.17Å; A307-A315 VanDerWaalsContact CB-O 3.32Å; A307-A315 WeakPolarHBondContact CB-O 3.35Å; S313-A315 PolarHBondContact O-N 3.22Å
316	G	97.3	Very high	97.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-19.4	-177.8	0	0	0	0	0	115.3	Q308 S313 D314 K336	Q308-G316 WeakPolarHBondContact O-CA 3.4Å; S313-G316 PolarHBondContact O-N 2.91Å; S313-G316 PolarHBondContact OG-N 2.97Å; S313-G316 VanDerWaalsContact OG-N 3.11Å; D314-G316 VanDerWaalsContact C-N 3.27Å; D314-G316 PolarHBondContact O-N 3.41Å; G316-K336 PolarHBondContact O-NZ 3.01Å
317	A	97.3	Very high	97.8	Very high	4 Å²	4	61.3 Å²	61.3	3%	0.033	34%	0.335	C	S	.	.			trans	-48.5	137.3	-179.1	0	0	0	0	0	113.4	S313 D314 E321	S313-A317 PolarHBondContact O-N 3.5Å; D314-A317 PolarHBondContact O-N 3.13Å; A317-E321 HydrophobicContact CB-CB 4.24Å; A317-E321 VanDerWaalsContact CB-OE2 3.25Å; A317-E321 WeakPolarHBondContact CB-OE2 3.37Å
318	E	97.8	Very high	97.8	Very high	69 Å²	69	60.1 Å²	60.1	32%	0.322	33%	0.326	S	S	.	.			trans	-68.5	153	170.6	-71.3	-57.1	133.3	0	0	110.9	D320 E321 K336	E318-D320 PolarHBondContact O-N 3.39Å; E318-D320 VanDerWaalsContact O-N 3.13Å; E318-E321 WeakPolarHBondContact O-CB 3.31Å; E318-E321 PolarHBondContact O-N 3.02Å; E318-K336 VanDerWaalsContact OE1-CD 3.27Å; E318-K336 WeakPolarHBondContact OE1-CD 3.45Å; E318-K336 WeakPolarHBondContact OE1-CE 3.34Å; E318-K336 IonicContact OE1-NZ 2.77Å; E318-K336 PolarHBondContact OE1-NZ 3.42Å; E318-K336 VanDerWaalsContact OE2-CD 3.31Å; E318-K336 WeakPolarHBondContact OE2-CD 3.4Å
319	P	97.8	Very high	97.8	Very high	9 Å²	9	57.3 Å²	57.3	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-26.6	-179.6	-23.2	33.3	0	0	0	114.1	E321 A322 V323 I328 P334 K336	P319-E321 VanDerWaalsContact C-N 3.27Å; P319-E321 PolarHBondContact O-N 3.38Å; P319-A322 WeakPolarHBondContact O-CB 3.47Å; P319-A322 PolarHBondContact O-N 3.42Å; P319-V323 PolarHBondContact O-N 3.37Å; P319-I328 HydrophobicContact CB-CD1 4.05Å; P319-P334 HydrophobicContact CB-CB 3.55Å; P319-P334 HydrophobicContact CB-CG 3.75Å; P319-P334 HydrophobicContact CG-CB 4.36Å; P319-K336 HydrophobicContact CG-CB 3.78Å
320	D	97.8	Very high	97.8	Very high	124 Å²	124	56.6 Å²	56.6	66%	0.663	32%	0.32	S	S	*	.	H	α-helix	trans	-62.6	-32.7	176.2	-167.1	60	0	0	0	112.4	E318 A322 V323 S324	E318-D320 PolarHBondContact O-N 3.39Å; E318-D320 VanDerWaalsContact O-N 3.13Å; D320-A322 VanDerWaalsContact C-N 3.29Å; D320-A322 PolarHBondContact O-N 3.28Å; D320-V323 WeakPolarHBondContact O-CB 3.29Å; D320-V323 PolarHBondContact O-N 2.93Å; D320-V323 VanDerWaalsContact O-N 3.09Å; D320-S324 PolarHBondContact O-N 2.56Å
321	E	98.1	Very high	97.7	Very high	87 Å²	87	55 Å²	55	41%	0.407	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-42.3	171.8	-169.4	-174	131	0	0	110.5	A317 E318 P319 V323 S324	A317-E321 HydrophobicContact CB-CB 4.24Å; A317-E321 VanDerWaalsContact CB-OE2 3.25Å; A317-E321 WeakPolarHBondContact CB-OE2 3.37Å; E318-E321 WeakPolarHBondContact O-CB 3.31Å; E318-E321 PolarHBondContact O-N 3.02Å; P319-E321 VanDerWaalsContact C-N 3.27Å; P319-E321 PolarHBondContact O-N 3.38Å; E321-V323 VanDerWaalsContact C-N 3.26Å; E321-V323 PolarHBondContact O-N 2.75Å; E321-S324 WeakPolarHBondContact O-CB 3.42Å; E321-S324 PolarHBondContact O-N 3.15Å; E321-S324 VanDerWaalsContact O-N 3.08Å; E321-S324 PolarHBondContact O-OG 2.88Å
322	A	98.1	Very high	97.6	Very high	6 Å²	6	51 Å²	51	5%	0.05	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-24.4	177.3	0	0	0	0	0	113.5	Y289 P319 D320 W325 G326 K327 I328	Y289-A322 HydrophobicContact CD1-CB 3.66Å; Y289-A322 HydrophobicContact CE1-CB 3.66Å; P319-A322 WeakPolarHBondContact O-CB 3.47Å; P319-A322 PolarHBondContact O-N 3.42Å; D320-A322 VanDerWaalsContact C-N 3.29Å; D320-A322 PolarHBondContact O-N 3.28Å; A322-W325 PolarHBondContact O-N 3.46Å; A322-G326 PolarHBondContact O-N 2.75Å; A322-K327 HydrophobicContact CB-CB 4.14Å; A322-K327 WeakPolarHBondContact O-CB 3.44Å; A322-K327 PolarHBondContact O-N 3.04Å; A322-I328 HydrophobicContact CB-CB 4.49Å; A322-I328 HydrophobicContact CB-CD1 3.83Å; A322-I328 HydrophobicContact CB-CG1 3.96Å; A322-I328 PolarHBondContact O-N 3.42Å
323	V	98.2	Very high	97.6	Very high	30 Å²	30	52.7 Å²	52.7	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-41.9	170.1	178.7	0	0	0	0	110.1	P319 D320 E321 W325 G326 I328 T330	P319-V323 PolarHBondContact O-N 3.37Å; D320-V323 WeakPolarHBondContact O-CB 3.29Å; D320-V323 PolarHBondContact O-N 2.93Å; D320-V323 VanDerWaalsContact O-N 3.09Å; E321-V323 VanDerWaalsContact C-N 3.26Å; E321-V323 PolarHBondContact O-N 2.75Å; V323-W325 PolarHBondContact O-N 2.72Å; V323-G326 PolarHBondContact O-N 3.01Å; V323-I328 HydrophobicContact CG2-CB 3.9Å; V323-I328 HydrophobicContact CG2-CG2 3.74Å; V323-T330 HydrophobicContact CG1-CG2 3.91Å
324	S	97.7	Very high	97.6	Very high	95 Å²	95	53 Å²	53	66%	0.664	29%	0.293	S	S	*	.	H	α-helix	trans	-58.7	-31.6	178.8	81.3	0	0	0	0	113.6	D320 E321	D320-S324 PolarHBondContact O-N 2.56Å; E321-S324 WeakPolarHBondContact O-CB 3.42Å; E321-S324 PolarHBondContact O-N 3.15Å; E321-S324 VanDerWaalsContact O-N 3.08Å; E321-S324 PolarHBondContact O-OG 2.88Å
325	W	97.9	Very high	97.6	Very high	154 Å²	154	51.5 Å²	51.5	58%	0.583	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.3	176.8	-68	99.7	0	0	0	113.7	L293 A322 V323 K327	L293-W325 WeakPolarHBondContact CD1-O 3.44Å; A322-W325 PolarHBondContact O-N 3.46Å; V323-W325 PolarHBondContact O-N 2.72Å; W325-K327 VanDerWaalsContact C-N 3.32Å; W325-K327 HydrophobicContact CB-CD 3.91Å; W325-K327 HydrophobicContact CB-CG 4.01Å; W325-K327 HydrophobicContact CG-CD 4.34Å
326	G	97.9	Very high	97.7	Very high	13 Å²	13	50.7 Å²	50.7	13%	0.134	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	15.9	-168.3	0	0	0	0	0	114	N296 G297 A322 V323 I328	N296-G326 CarbonylContact C-O 3.52Å; G297-G326 WeakPolarHBondContact CA-O 3.48Å; G297-G326 PolarHBondContact N-O 3.39Å; A322-G326 PolarHBondContact O-N 2.75Å; V323-G326 PolarHBondContact O-N 3.01Å; G326-I328 VanDerWaalsContact C-N 3.34Å
327	K	98.6	Very high	97.7	Very high	12 Å²	12	50.8 Å²	50.8	5%	0.052	28%	0.277	C	S	.	.	S	Bend	trans	-75.8	-27.2	173	-70.7	163.5	168.9	176.7	0	111.4	H286 Y289 L293 G297 A298 A322 W325	H286-K327 PolarHBondContact CD2-NZ 3.48Å; H286-K327 PolarHBondContact NE2-NZ 2.95Å; Y289-K327 HydrophobicContact CD1-CB 4.21Å; L293-K327 HydrophobicContact CB-CG 4.03Å; G297-K327 WeakPolarHBondContact CA-O 3.4Å; A298-K327 PolarHBondContact N-O 3.17Å; A298-K327 VanDerWaalsContact N-O 3.1Å; A322-K327 HydrophobicContact CB-CB 4.14Å; A322-K327 WeakPolarHBondContact O-CB 3.44Å; A322-K327 PolarHBondContact O-N 3.04Å; W325-K327 VanDerWaalsContact C-N 3.32Å; W325-K327 HydrophobicContact CB-CD 3.91Å; W325-K327 HydrophobicContact CB-CG 4.01Å; W325-K327 HydrophobicContact CG-CD 4.34Å
328	I	98.7	Very high	97.8	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-121	139.2	172.6	-67.5	-178.5	0	0	0	108.1	M276 Y289 S301 P319 A322 V323 G326 S332 P334	M276-I328 HydrophobicContact CE-CD1 4.19Å; M276-I328 HydrophobicContact CE-CG1 3.64Å; Y289-I328 HydrophobicContact CD1-CG1 4.48Å; Y289-I328 HydrophobicContact CE1-CD1 3.73Å; Y289-I328 HydrophobicContact CE1-CG1 4.14Å; S301-I328 WeakPolarHBondContact OG-CD1 3.31Å; P319-I328 HydrophobicContact CB-CD1 4.05Å; A322-I328 HydrophobicContact CB-CB 4.49Å; A322-I328 HydrophobicContact CB-CD1 3.83Å; A322-I328 HydrophobicContact CB-CG1 3.96Å; A322-I328 PolarHBondContact O-N 3.42Å; V323-I328 HydrophobicContact CG2-CB 3.9Å; V323-I328 HydrophobicContact CG2-CG2 3.74Å; G326-I328 VanDerWaalsContact C-N 3.34Å; I328-S332 WeakPolarHBondContact CG2-OG 3.48Å; I328-P334 HydrophobicContact CD1-CB 4.01Å; I328-P334 HydrophobicContact CG2-CB 4.22Å; I328-P334 HydrophobicContact CG2-CG 4.26Å
329	S	98	Very high	97.9	Very high	25 Å²	25	51 Å²	51	18%	0.175	28%	0.284	C	S	.	.			trans	-68.6	142.9	178.9	-179.9	0	0	0	0	111.6	A298 N331 S332	A298-S329 WeakPolarHBondContact O-CB 3.4Å; A298-S329 PolarHBondContact O-N 3.34Å; S329-N331 PolarHBondContact O-N 3.42Å; S329-N331 VanDerWaalsContact O-N 3.17Å; S329-N331 PolarHBondContact OG-N 3.04Å; S329-S332 WeakPolarHBondContact O-CB 3.37Å; S329-S332 PolarHBondContact O-N 3.22Å; S329-S332 PolarHBondContact O-OG 3.22Å
330	T	96.9	Very high	97.9	Very high	113 Å²	113	54 Å²	54	69%	0.693	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.8	175.7	53.3	0	0	0	0	113.7	V323	V323-T330 HydrophobicContact CG1-CG2 3.91Å
331	N	95.1	Very high	97.9	Very high	144 Å²	144	48.3 Å²	48.3	77%	0.77	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	1.6	177.1	-63.3	-39.9	0	0	0	113.3	S329	S329-N331 PolarHBondContact O-N 3.42Å; S329-N331 VanDerWaalsContact O-N 3.17Å; S329-N331 PolarHBondContact OG-N 3.04Å
332	S	95.7	Very high	98	Very high	12 Å²	12	47 Å²	47	8%	0.084	27%	0.268	C	S	.	.			trans	-82.4	163.2	178.1	73.9	0	0	0	0	111.3	D299 I328 S329 P334	D299-S332 WeakPolarHBondContact O-CB 3.44Å; I328-S332 WeakPolarHBondContact CG2-OG 3.48Å; S329-S332 WeakPolarHBondContact O-CB 3.37Å; S329-S332 PolarHBondContact O-N 3.22Å; S329-S332 PolarHBondContact O-OG 3.22Å; S332-P334 WeakPolarHBondContact O-CD 3.48Å
333	N	96.7	Very high	98	Very high	106 Å²	106	51.9 Å²	51.9	57%	0.567	29%	0.292	S	S	*	.			trans	-117.9	74.3	171.3	-59.5	-69.7	0	0	0	108.4	R65	R65-N333 PolarHBondContact NH2-ND2 3.04Å
334	P	98.3	Very high	98	Very high	40 Å²	40	50.5 Å²	50.5	26%	0.26	28%	0.284	S	S	.	.			trans	-69.5	143.5	-171.9	32.8	-37	0	0	0	110.8	S301 P319 I328 S332	S301-P334 WeakPolarHBondContact O-CA 3.49Å; P319-P334 HydrophobicContact CB-CB 3.55Å; P319-P334 HydrophobicContact CB-CG 3.75Å; P319-P334 HydrophobicContact CG-CB 4.36Å; I328-P334 HydrophobicContact CD1-CB 4.01Å; I328-P334 HydrophobicContact CG2-CB 4.22Å; I328-P334 HydrophobicContact CG2-CG 4.26Å; S332-P334 WeakPolarHBondContact O-CD 3.48Å
335	V	98.7	Very high	98.1	Very high	13 Å²	13	46 Å²	46	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.8	-176.4	-173.9	0	0	0	0	110.4	H55 K58 A59 E62 S301 V302 L303 V337	H55-V335 HydrophobicContact CB-CG1 4.42Å; H55-V335 VanDerWaalsContact O-CG1 3.31Å; H55-V335 WeakPolarHBondContact O-CG1 3.3Å; K58-V335 HydrophobicContact CB-CG1 4.1Å; K58-V335 HydrophobicContact CB-CG2 3.98Å; A59-V335 HydrophobicContact CB-CB 4.47Å; A59-V335 HydrophobicContact CB-CG1 4.02Å; E62-V335 HydrophobicContact CB-CG2 4.43Å; S301-V335 PolarHBondContact O-N 3.11Å; V302-V335 CarbonylContact C-O 3.18Å; V302-V335 WeakPolarHBondContact CA-O 3.29Å; L303-V335 PolarHBondContact N-O 2.85Å; V335-V337 HydrophobicContact CG1-CG2 4.41Å
336	K	98.7	Very high	98.1	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.03	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.9	167.2	-174.9	-177.8	178.4	-173.8	0	110.1	H55 L303 A307 G316 E318 P319 V338	H55-K336 PolarHBondContact ND1-O 3.49Å; L303-K336 HydrophobicContact CB-CB 4.47Å; L303-K336 HydrophobicContact CB-CG 4.38Å; L303-K336 HydrophobicContact CD2-CD 4.15Å; L303-K336 HydrophobicContact CD2-CG 4.04Å; L303-K336 HydrophobicContact CG-CG 4.21Å; L303-K336 CarbonylContact O-C 3.55Å; L303-K336 VanDerWaalsContact O-CA 3.3Å; L303-K336 WeakPolarHBondContact O-CA 3.45Å; A307-K336 PolarHBondContact O-NZ 3.47Å; G316-K336 PolarHBondContact O-NZ 3.01Å; E318-K336 VanDerWaalsContact OE1-CD 3.27Å; E318-K336 WeakPolarHBondContact OE1-CD 3.45Å; E318-K336 WeakPolarHBondContact OE1-CE 3.34Å; E318-K336 IonicContact OE1-NZ 2.77Å; E318-K336 PolarHBondContact OE1-NZ 3.42Å; E318-K336 VanDerWaalsContact OE2-CD 3.31Å; E318-K336 WeakPolarHBondContact OE2-CD 3.4Å; P319-K336 HydrophobicContact CG-CB 3.78Å; K336-V338 HydrophobicContact CD-CG2 4.44Å; K336-V338 HydrophobicContact CG-CG2 4.42Å
337	V	98.8	Very high	98.2	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.5	170.6	-173.1	0	0	0	0	107.9	H55 L56 A59 L303 I304 S305 V335 C339 A344	H55-V337 HydrophobicContact CB-CG2 4.27Å; L56-V337 HydrophobicContact CB-CG1 4.2Å; L56-V337 HydrophobicContact CB-CG2 4.46Å; L56-V337 HydrophobicContact CD1-CG1 4.43Å; L56-V337 HydrophobicContact CD1-CG2 4.38Å; A59-V337 HydrophobicContact CB-CG2 3.79Å; L303-V337 PolarHBondContact O-N 3.26Å; I304-V337 WeakPolarHBondContact CA-O 3.22Å; I304-V337 HydrophobicContact CG1-CB 4.21Å; I304-V337 HydrophobicContact CG1-CG2 4.44Å; S305-V337 PolarHBondContact N-O 3.42Å; S305-V337 VanDerWaalsContact N-O 3.14Å; V335-V337 HydrophobicContact CG1-CG2 4.41Å; V337-C339 HydrophobicContact CG1-CB 3.9Å; V337-C339 PolarHBondContact O-N 3.32Å; V337-C339 VanDerWaalsContact O-N 3.12Å; V337-A344 HydrophobicContact CG1-CB 4.45Å
338	V	98.7	Very high	98.2	Very high	44 Å²	44	41.6 Å²	41.6	27%	0.267	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	86.1	176.7	-172.5	0	0	0	0	108.9	Q52 S305 K336	Q52-V338 HydrophobicContact CG-CB 4.3Å; S305-V338 VanDerWaalsContact O-CA 3.3Å; S305-V338 WeakPolarHBondContact O-CA 3.27Å; K336-V338 HydrophobicContact CD-CG2 4.44Å; K336-V338 HydrophobicContact CG-CG2 4.42Å
339	C	98.7	Very high	98.2	Very high	34 Å²	34	42.1 Å²	42.1	23%	0.23	24%	0.243	C	C	.	.	S	Bend	trans	-158.3	156.8	-175.9	-168.2	0	0	0	0	111	S305 V337 A341 A344	S305-C339 PolarHBondContact O-N 3.47Å; V337-C339 HydrophobicContact CG1-CB 3.9Å; V337-C339 PolarHBondContact O-N 3.32Å; V337-C339 VanDerWaalsContact O-N 3.12Å; C339-A341 PolarHBondContact O-N 3.46Å; C339-A344 HydrophobicContact CB-CB 4.08Å
340	D	98.8	Very high	98.2	Very high	71 Å²	71	42.7 Å²	42.7	38%	0.38	25%	0.247	S	C	.	.			trans	-65.1	124.8	165.6	-169.2	-42.4	0	0	0	109.1	T342 I343 A344	D340-T342 PolarHBondContact O-N 3.04Å; D340-T342 WeakPolarHBondContact OD1-CB 3.45Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.21Å; D340-T342 PolarHBondContact OD1-N 3.08Å; D340-T342 PolarHBondContact OD1-OG1 3.2Å; D340-I343 HydrophobicContact CB-CD1 4.37Å; D340-I343 WeakPolarHBondContact O-CB 3.46Å; D340-I343 PolarHBondContact O-N 3.03Å; D340-A344 PolarHBondContact O-N 3.3Å; D340-A344 VanDerWaalsContact O-N 3.13Å
341	A	98.8	Very high	98.2	Very high	6 Å²	6	38.8 Å²	38.8	5%	0.05	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-22.3	-178.8	0	0	0	0	0	112.9	M105 L279 I304 C339 I343 F345 P346	M105-A341 HydrophobicContact CE-CB 4.32Å; M105-A341 HydrophobicContact SD-CB 3.51Å; M105-A341 VanDerWaalsContact SD-CB 3.51Å; L279-A341 HydrophobicContact CB-CB 4.24Å; L279-A341 HydrophobicContact CD2-CB 4.45Å; I304-A341 HydrophobicContact CG2-CB 3.89Å; C339-A341 PolarHBondContact O-N 3.46Å; A341-I343 PolarHBondContact O-N 3.09Å; A341-F345 HydrophobicContact CB-CB 4.48Å; A341-F345 WeakPolarHBondContact O-CB 3.21Å; A341-F345 PolarHBondContact O-N 3.31Å; A341-P346 WeakPolarHBondContact O-CD 3.34Å
342	T	98.8	Very high	98.4	Very high	60 Å²	60	32 Å²	32	37%	0.368	19%	0.185	S	C	.	.	H	α-helix	trans	-62.2	-22.8	172.1	62.9	0	0	0	0	113.2	M105 I110 D340	M105-T342 HydrophobicContact CE-CG2 4.44Å; I110-T342 HydrophobicContact CG1-CG2 4.01Å; D340-T342 PolarHBondContact O-N 3.04Å; D340-T342 WeakPolarHBondContact OD1-CB 3.45Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.21Å; D340-T342 PolarHBondContact OD1-N 3.08Å; D340-T342 PolarHBondContact OD1-OG1 3.2Å
343	I	98.8	Very high	98.5	Very high	108 Å²	108	31.4 Å²	31.4	55%	0.554	18%	0.181	S	C	*	.	H	α-helix	trans	-95.4	-52.7	175.5	-61.3	169.9	0	0	0	110.3	D340 A341	D340-I343 HydrophobicContact CB-CD1 4.37Å; D340-I343 WeakPolarHBondContact O-CB 3.46Å; D340-I343 PolarHBondContact O-N 3.03Å; A341-I343 PolarHBondContact O-N 3.09Å
344	A	98.7	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-75.3	-39	-169.8	0	0	0	0	0	113.5	L56 I304 V337 C339 D340 L347 L348	L56-A344 HydrophobicContact CD1-CB 4.05Å; L56-A344 HydrophobicContact CD2-CB 4.38Å; I304-A344 HydrophobicContact CD1-CB 4.14Å; I304-A344 HydrophobicContact CG2-CB 3.9Å; V337-A344 HydrophobicContact CG1-CB 4.45Å; C339-A344 HydrophobicContact CB-CB 4.08Å; D340-A344 PolarHBondContact O-N 3.3Å; D340-A344 VanDerWaalsContact O-N 3.13Å; A344-L347 PolarHBondContact O-N 2.9Å; A344-L348 PolarHBondContact O-N 3.37Å
345	F	98.9	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-71.1	-40.2	-170.5	-171.3	-113.4	0	0	0	114	L99 I110 I114 L117 I277 L279 I304 A341 L347 L348 V349	L99-F345 HydrophobicContact CD1-CZ 4.35Å; I110-F345 HydrophobicContact CD1-CB 4.2Å; I110-F345 HydrophobicContact CD1-CD1 4.19Å; I110-F345 HydrophobicContact CG2-CD1 3.77Å; I110-F345 HydrophobicContact CG2-CE1 4.21Å; I114-F345 HydrophobicContact CG1-CE1 4.13Å; L117-F345 HydrophobicContact CD1-CE1 4.31Å; L117-F345 HydrophobicContact CD1-CZ 3.63Å; I277-F345 HydrophobicContact CG2-CE2 4.19Å; L279-F345 HydrophobicContact CD1-CB 4.38Å; L279-F345 HydrophobicContact CD1-CD1 3.76Å; L279-F345 HydrophobicContact CD1-CD2 3.75Å; L279-F345 HydrophobicContact CD1-CE1 3.81Å; L279-F345 HydrophobicContact CD1-CE2 3.81Å; L279-F345 HydrophobicContact CD1-CG 3.71Å; L279-F345 HydrophobicContact CD1-CZ 3.82Å; L279-F345 HydrophobicContact CD2-CB 4.34Å; L279-F345 HydrophobicContact CD2-CD2 3.47Å; L279-F345 VanDerWaalsContact CD2-CD2 3.47Å; L279-F345 HydrophobicContact CD2-CE2 3.87Å; L279-F345 HydrophobicContact CD2-CG 4.01Å; L279-F345 HydrophobicContact CG-CD2 4.23Å; L279-F345 HydrophobicContact CG-CE2 4.32Å; I304-F345 HydrophobicContact CD1-CB 4.4Å; I304-F345 HydrophobicContact CD1-CD2 4.29Å; A341-F345 HydrophobicContact CB-CB 4.48Å; A341-F345 WeakPolarHBondContact O-CB 3.21Å; A341-F345 PolarHBondContact O-N 3.31Å; F345-L347 VanDerWaalsContact C-N 3.28Å; F345-L347 PolarHBondContact O-N 3.48Å; F345-L348 HydrophobicContact CD2-CD2 4.07Å; F345-L348 HydrophobicContact CE2-CD2 4.06Å; F345-L348 PolarHBondContact O-N 2.59Å; F345-V349 HydrophobicContact CD1-CG2 4.16Å; F345-V349 HydrophobicContact CD2-CG2 4.46Å; F345-V349 HydrophobicContact CE1-CG2 3.87Å; F345-V349 HydrophobicContact CE2-CG2 4.19Å; F345-V349 HydrophobicContact CG-CG2 4.47Å; F345-V349 HydrophobicContact CZ-CG2 3.91Å; F345-V349 WeakPolarHBondContact O-CG2 3.48Å; F345-V349 PolarHBondContact O-N 2.83Å
346	P	98.7	Very high	98.4	Very high	48 Å²	48	31.9 Å²	31.9	31%	0.312	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-38.6	173.4	-24.6	36	0	0	0	112.4	I110 A341 V349 S350	I110-P346 HydrophobicContact CD1-CG 3.49Å; I110-P346 VanDerWaalsContact CD1-CG 3.49Å; A341-P346 WeakPolarHBondContact O-CD 3.34Å; P346-V349 PolarHBondContact O-N 3.05Å; P346-S350 VanDerWaalsContact O-CB 3.31Å; P346-S350 WeakPolarHBondContact O-CB 3.36Å; P346-S350 PolarHBondContact O-N 3.02Å; P346-S350 PolarHBondContact O-OG 3.1Å
347	L	98.5	Very high	98.3	Very high	40 Å²	40	33.2 Å²	33.2	21%	0.209	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-48	173.7	-67.9	175.5	0	0	0	110.6	V39 F43 L56 A344 F345 V349 S350 Q351	V39-L347 HydrophobicContact CG1-CD2 3.99Å; F43-L347 HydrophobicContact CD2-CB 4.43Å; F43-L347 HydrophobicContact CE2-CB 4.08Å; L56-L347 HydrophobicContact CD2-CB 4.4Å; L56-L347 HydrophobicContact CD2-CD1 4.12Å; A344-L347 PolarHBondContact O-N 2.9Å; F345-L347 VanDerWaalsContact C-N 3.28Å; F345-L347 PolarHBondContact O-N 3.48Å; L347-V349 PolarHBondContact O-N 3.37Å; L347-S350 WeakPolarHBondContact CA-OG 3.36Å; L347-S350 PolarHBondContact O-N 3.35Å; L347-S350 VanDerWaalsContact O-N 3.14Å; L347-S350 PolarHBondContact O-OG 3.28Å; L347-Q351 WeakPolarHBondContact O-CG 3.47Å; L347-Q351 PolarHBondContact O-N 3.07Å
348	L	98.8	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56	-48.5	176.2	179.9	140.4	0	0	0	111.8	L56 A59 V60 V63 V302 I304 A344 F345 S350 Q351 S352 F353	L56-L348 HydrophobicContact CD1-CB 4.43Å; A59-L348 HydrophobicContact CB-CD1 3.95Å; V60-L348 HydrophobicContact CG2-CB 4.41Å; V60-L348 HydrophobicContact CG2-CG 4.29Å; V63-L348 HydrophobicContact CG2-CD1 4.08Å; V63-L348 HydrophobicContact CG2-CD2 4.18Å; V63-L348 HydrophobicContact CG2-CG 4.45Å; V302-L348 HydrophobicContact CG1-CD1 4.17Å; I304-L348 HydrophobicContact CD1-CD1 4.29Å; A344-L348 PolarHBondContact O-N 3.37Å; F345-L348 HydrophobicContact CD2-CD2 4.07Å; F345-L348 HydrophobicContact CE2-CD2 4.06Å; F345-L348 PolarHBondContact O-N 2.59Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-S350 PolarHBondContact O-N 2.64Å; L348-Q351 PolarHBondContact O-N 3.03Å; L348-S352 WeakPolarHBondContact O-CB 3.32Å; L348-S352 PolarHBondContact O-N 3.34Å; L348-S352 PolarHBondContact O-OG 2.92Å; L348-F353 HydrophobicContact CD2-CD2 4.4Å; L348-F353 HydrophobicContact CD2-CE2 4.28Å
349	V	98.7	Very high	97.9	Very high	11 Å²	11	42.4 Å²	42.4	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-44	177	172.1	0	0	0	0	110.9	F116 L117 F345 P346 L347 Q351 S352 F353 Y354	F116-V349 HydrophobicContact CD1-CG1 4.14Å; F116-V349 HydrophobicContact CE1-CG1 4.22Å; L117-V349 HydrophobicContact CD1-CG2 4.36Å; L117-V349 HydrophobicContact CD2-CG1 4.37Å; L117-V349 HydrophobicContact CD2-CG2 4.4Å; F345-V349 HydrophobicContact CD1-CG2 4.16Å; F345-V349 HydrophobicContact CD2-CG2 4.46Å; F345-V349 HydrophobicContact CE1-CG2 3.87Å; F345-V349 HydrophobicContact CE2-CG2 4.19Å; F345-V349 HydrophobicContact CG-CG2 4.47Å; F345-V349 HydrophobicContact CZ-CG2 3.91Å; F345-V349 WeakPolarHBondContact O-CG2 3.48Å; F345-V349 PolarHBondContact O-N 2.83Å; P346-V349 PolarHBondContact O-N 3.05Å; L347-V349 PolarHBondContact O-N 3.37Å; V349-Q351 VanDerWaalsContact C-N 3.25Å; V349-Q351 PolarHBondContact O-N 3.09Å; V349-S352 PolarHBondContact O-N 3.02Å; V349-F353 HydrophobicContact CG1-CB 4.34Å; V349-F353 HydrophobicContact CG2-CD2 4.36Å; V349-F353 PolarHBondContact O-N 3.41Å; V349-Y354 WeakPolarHBondContact O-CB 3.5Å; V349-Y354 PolarHBondContact O-N 3.03Å
350	S	98	Very high	97.5	Very high	38 Å²	38	43.5 Å²	43.5	27%	0.266	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-27.1	-179.1	78.2	0	0	0	0	113.9	P346 L347 L348 P355	P346-S350 VanDerWaalsContact O-CB 3.31Å; P346-S350 WeakPolarHBondContact O-CB 3.36Å; P346-S350 PolarHBondContact O-N 3.02Å; P346-S350 PolarHBondContact O-OG 3.1Å; L347-S350 WeakPolarHBondContact CA-OG 3.36Å; L347-S350 PolarHBondContact O-N 3.35Å; L347-S350 VanDerWaalsContact O-N 3.14Å; L347-S350 PolarHBondContact O-OG 3.28Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-S350 PolarHBondContact O-N 2.64Å; S350-P355 WeakPolarHBondContact O-CD 3.35Å; S350-P355 WeakPolarHBondContact O-CG 3.48Å
351	Q	98	Very high	97	Very high	31 Å²	31	44.8 Å²	44.8	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-105	-3.8	-176.8	-55.5	-52.4	-59.7	0	0	113.6	S40 F43 V60 L347 L348 V349	S40-Q351 PolarHBondContact OG-OE1 3.28Å; F43-Q351 HydrophobicContact CB-CG 4.24Å; F43-Q351 HydrophobicContact CD1-CB 4.26Å; F43-Q351 HydrophobicContact CD1-CG 3.61Å; F43-Q351 HydrophobicContact CD2-CG 4.08Å; F43-Q351 HydrophobicContact CE1-CB 4.17Å; F43-Q351 HydrophobicContact CE1-CG 3.9Å; F43-Q351 HydrophobicContact CE2-CG 4.33Å; F43-Q351 HydrophobicContact CG-CG 3.7Å; F43-Q351 HydrophobicContact CZ-CG 4.24Å; V60-Q351 HydrophobicContact CG1-CB 3.78Å; V60-Q351 WeakPolarHBondContact CG1-O 3.37Å; V60-Q351 HydrophobicContact CG2-CB 3.95Å; L347-Q351 WeakPolarHBondContact O-CG 3.47Å; L347-Q351 PolarHBondContact O-N 3.07Å; L348-Q351 PolarHBondContact O-N 3.03Å; V349-Q351 VanDerWaalsContact C-N 3.25Å; V349-Q351 PolarHBondContact O-N 3.09Å
352	S	98.4	Very high	96.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-82.1	179.5	61.1	0	0	0	0	112.4	V63 N64 L348 V349 Y354 P355 A356	V63-S352 WeakPolarHBondContact CG1-OG 3.4Å; N64-S352 VanDerWaalsContact OD1-CA 3.3Å; N64-S352 WeakPolarHBondContact OD1-CA 3.46Å; N64-S352 WeakPolarHBondContact OD1-CB 3.38Å; L348-S352 WeakPolarHBondContact O-CB 3.32Å; L348-S352 PolarHBondContact O-N 3.34Å; L348-S352 PolarHBondContact O-OG 2.92Å; V349-S352 PolarHBondContact O-N 3.02Å; S352-Y354 PolarHBondContact O-N 3.18Å; S352-P355 WeakPolarHBondContact O-CD 3.33Å; S352-A356 WeakPolarHBondContact O-CB 3.36Å; S352-A356 PolarHBondContact O-N 2.84Å
353	F	98.3	Very high	95.4	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-44.5	-175.8	-72.7	-68.3	0	0	0	113.6	V63 I67 I97 L117 L122 V123 I277 L348 V349 A356 W357	V63-F353 HydrophobicContact CG1-CD2 3.99Å; V63-F353 HydrophobicContact CG1-CE1 4.25Å; V63-F353 HydrophobicContact CG1-CE2 3.47Å; V63-F353 VanDerWaalsContact CG1-CE2 3.47Å; V63-F353 HydrophobicContact CG1-CZ 3.62Å; I67-F353 HydrophobicContact CD1-CD1 3.75Å; I67-F353 HydrophobicContact CD1-CE1 4.08Å; I67-F353 HydrophobicContact CD1-CG 4.2Å; I67-F353 HydrophobicContact CG1-CD1 4.1Å; I67-F353 HydrophobicContact CG1-CE1 4.02Å; I97-F353 HydrophobicContact CD1-CE1 4.34Å; I97-F353 HydrophobicContact CD1-CZ 4.48Å; L117-F353 HydrophobicContact CD1-CD2 4.21Å; L117-F353 HydrophobicContact CD1-CE2 4.11Å; L117-F353 HydrophobicContact CD2-CB 3.53Å; L117-F353 HydrophobicContact CD2-CD1 3.86Å; L117-F353 HydrophobicContact CD2-CD2 3.56Å; L117-F353 HydrophobicContact CD2-CE1 4.43Å; L117-F353 HydrophobicContact CD2-CE2 4.16Å; L117-F353 HydrophobicContact CD2-CG 3.37Å; L122-F353 HydrophobicContact CB-CD1 3.79Å; L122-F353 HydrophobicContact CB-CE1 4.09Å; L122-F353 HydrophobicContact CD1-CB 4.02Å; L122-F353 HydrophobicContact CD1-CD1 4.14Å; L122-F353 HydrophobicContact CD1-CG 4.46Å; L122-F353 HydrophobicContact CG-CD1 4.47Å; L122-F353 WeakPolarHBondContact O-CE1 3.33Å; V123-F353 HydrophobicContact CG1-CZ 4.43Å; I277-F353 HydrophobicContact CD1-CE2 3.73Å; I277-F353 HydrophobicContact CD1-CZ 3.55Å; L348-F353 HydrophobicContact CD2-CD2 4.4Å; L348-F353 HydrophobicContact CD2-CE2 4.28Å; V349-F353 HydrophobicContact CG1-CB 4.34Å; V349-F353 HydrophobicContact CG2-CD2 4.36Å; V349-F353 PolarHBondContact O-N 3.41Å; F353-A356 PolarHBondContact O-N 3.35Å; F353-W357 WeakPolarHBondContact O-CB 3.48Å; F353-W357 PolarHBondContact O-N 3.15Å
354	Y	97.9	Very high	94.2	Very high	106 Å²	106	46 Å²	46	42%	0.416	25%	0.252	S	S	.	.	H	α-helix	trans	-66	-48.6	-175.6	-178.5	-98.5	0	0	0	112.7	F116 V349 S352 A356 W357 L358	F116-Y354 HydrophobicContact CE1-CD2 4.47Å; F116-Y354 HydrophobicContact CE2-CD2 4.11Å; F116-Y354 AromaticContact CZ-CD2 3.76Å; F116-Y354 HydrophobicContact CZ-CD2 3.76Å; V349-Y354 WeakPolarHBondContact O-CB 3.5Å; V349-Y354 PolarHBondContact O-N 3.03Å; S352-Y354 PolarHBondContact O-N 3.18Å; Y354-A356 VanDerWaalsContact C-N 3.33Å; Y354-A356 PolarHBondContact O-N 2.9Å; Y354-W357 HydrophobicContact CD2-CE3 4.08Å; Y354-W357 HydrophobicContact CD2-CZ3 4.23Å; Y354-W357 AromaticContact CE2-CE3 3.98Å; Y354-W357 HydrophobicContact CE2-CE3 3.98Å; Y354-W357 AromaticContact CE2-CZ3 3.67Å; Y354-W357 HydrophobicContact CE2-CZ3 3.67Å; Y354-W357 PolarHBondContact O-N 2.95Å; Y354-L358 HydrophobicContact CD1-CD1 3.97Å; Y354-L358 HydrophobicContact CD1-CG 4.43Å; Y354-L358 HydrophobicContact CE1-CD1 3.43Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.43Å; Y354-L358 HydrophobicContact CE1-CG 4.04Å; Y354-L358 PolarHBondContact O-N 3.15Å
355	P	96.6	Very high	92.9	Very high	44 Å²	44	53.2 Å²	53.2	29%	0.286	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-40.8	171.1	-26.9	33.9	0	0	0	113.6	S350 S352 L358 K359	S350-P355 WeakPolarHBondContact O-CD 3.35Å; S350-P355 WeakPolarHBondContact O-CG 3.48Å; S352-P355 WeakPolarHBondContact O-CD 3.33Å; P355-L358 PolarHBondContact O-N 3.27Å; P355-K359 WeakPolarHBondContact O-CG 3.26Å; P355-K359 PolarHBondContact O-N 3.31Å
356	A	96.2	Very high	91.3	Very high	18 Å²	18	60.1 Å²	60.1	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-42.2	177.8	0	0	0	0	0	112.1	I67 S352 F353 Y354 K359 S360	I67-A356 HydrophobicContact CD1-CB 4.14Å; I67-A356 HydrophobicContact CG2-CB 3.75Å; S352-A356 WeakPolarHBondContact O-CB 3.36Å; S352-A356 PolarHBondContact O-N 2.84Å; F353-A356 PolarHBondContact O-N 3.35Å; Y354-A356 VanDerWaalsContact C-N 3.33Å; Y354-A356 PolarHBondContact O-N 2.9Å; A356-K359 PolarHBondContact O-N 3.19Å; A356-S360 PolarHBondContact O-N 2.82Å
357	W	96.8	Very high	89.8	Confident	36 Å²	36	62.5 Å²	62.5	14%	0.136	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-40.1	175.1	171.5	87.2	0	0	0	113	F116 H120 L122 F353 Y354 K359 S360 K361	F116-W357 HydrophobicContact CE2-CD2 4.07Å; F116-W357 HydrophobicContact CE2-CE3 4.21Å; F116-W357 HydrophobicContact CE2-CG 4.48Å; F116-W357 HydrophobicContact CE2-CH2 4.42Å; F116-W357 HydrophobicContact CE2-CZ2 4.23Å; F116-W357 HydrophobicContact CE2-CZ3 4.42Å; F116-W357 HydrophobicContact CZ-CB 4.21Å; F116-W357 AromaticContact CZ-CD2 3.96Å; F116-W357 HydrophobicContact CZ-CD2 3.96Å; F116-W357 HydrophobicContact CZ-CE3 4.15Å; F116-W357 HydrophobicContact CZ-CG 4.02Å; H120-W357 AromaticContact CD2-CD1 3.84Å; H120-W357 AromaticContact CD2-CE2 3.67Å; H120-W357 AromaticContact CD2-CZ2 3.99Å; H120-W357 AromaticContact CD2-NE1 3.23Å; H120-W357 PolarHBondContact CD2-NE1 3.47Å; H120-W357 AromaticContact CE1-CZ2 3.99Å; H120-W357 AromaticContact CE1-NE1 3.74Å; H120-W357 AromaticContact CG-CD1 3.69Å; H120-W357 AromaticContact CG-NE1 3.18Å; H120-W357 AromaticContact ND1-NE1 3.51Å; H120-W357 AromaticContact NE2-CE2 3.67Å; H120-W357 AromaticContact NE2-CZ2 3.49Å; H120-W357 WeakPolarHBondContact NE2-CZ2 2.97Å; H120-W357 AromaticContact NE2-NE1 3.53Å; L122-W357 HydrophobicContact CD1-CB 4.27Å; F353-W357 WeakPolarHBondContact O-CB 3.48Å; F353-W357 PolarHBondContact O-N 3.15Å; Y354-W357 HydrophobicContact CD2-CE3 4.08Å; Y354-W357 HydrophobicContact CD2-CZ3 4.23Å; Y354-W357 AromaticContact CE2-CE3 3.98Å; Y354-W357 HydrophobicContact CE2-CE3 3.98Å; Y354-W357 AromaticContact CE2-CZ3 3.67Å; Y354-W357 HydrophobicContact CE2-CZ3 3.67Å; Y354-W357 PolarHBondContact O-N 2.95Å; W357-K359 VanDerWaalsContact C-N 3.32Å; W357-K359 PolarHBondContact O-N 2.92Å; W357-S360 PolarHBondContact O-N 3.21Å; W357-S360 PolarHBondContact O-OG 3.44Å; W357-K361 HydrophobicContact CD2-CD 4.33Å; W357-K361 VanDerWaalsContact CE2-CE 3.47Å; W357-K361 HydrophobicContact CH2-CD 4.07Å; W357-K361 HydrophobicContact CZ2-CD 3.67Å; W357-K361 PolarHBondContact O-N 3.4Å
358	L	95.9	Very high	88.4	Confident	80 Å²	80	65.4 Å²	65.4	42%	0.419	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-43.7	173.8	-78.1	179.1	0	0	0	111.4	Y354 P355 K361 A362	Y354-L358 HydrophobicContact CD1-CD1 3.97Å; Y354-L358 HydrophobicContact CD1-CG 4.43Å; Y354-L358 HydrophobicContact CE1-CD1 3.43Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.43Å; Y354-L358 HydrophobicContact CE1-CG 4.04Å; Y354-L358 PolarHBondContact O-N 3.15Å; P355-L358 PolarHBondContact O-N 3.27Å; L358-K361 PolarHBondContact O-N 3.22Å; L358-A362 PolarHBondContact O-N 3.28Å
359	K	93.9	Very high	86.7	Confident	159 Å²	159	69.3 Å²	69.3	69%	0.691	37%	0.367	S	S	*	.	H	α-helix	trans	-61.2	-43.8	176.6	-72.4	173.5	-177.6	179.6	0	111.7	P355 A356 W357 A362 C363	P355-K359 WeakPolarHBondContact O-CG 3.26Å; P355-K359 PolarHBondContact O-N 3.31Å; A356-K359 PolarHBondContact O-N 3.19Å; W357-K359 VanDerWaalsContact C-N 3.32Å; W357-K359 PolarHBondContact O-N 2.92Å; K359-A362 PolarHBondContact O-N 3.24Å; K359-C363 PolarHBondContact O-N 2.96Å; K359-C363 VanDerWaalsContact O-N 3.09Å
360	S	90.3	Very high	84.9	Confident	56 Å²	56	76.6 Å²	76.6	39%	0.392	40%	0.398	S	S	.	.	H	α-helix	trans	-65.2	-41.3	178.6	72	0	0	0	0	112.1	A356 W357 A362 C363 V364	A356-S360 PolarHBondContact O-N 2.82Å; W357-S360 PolarHBondContact O-N 3.21Å; W357-S360 PolarHBondContact O-OG 3.44Å; S360-A362 PolarHBondContact O-N 3.27Å; S360-C363 PolarHBondContact O-N 2.99Å; S360-V364 WeakPolarHBondContact O-CG2 3.4Å; S360-V364 PolarHBondContact O-N 3.19Å; S360-V364 VanDerWaalsContact O-N 3.12Å
361	K	88	Confident	83.3	Confident	98 Å²	98	79.1 Å²	79.1	43%	0.426	41%	0.409	S	S	.	.	H	α-helix	trans	-63.1	-39.3	174.3	-81.5	-163.8	168.1	-176.2	0	113.4	W357 L358 V364 K365	W357-K361 HydrophobicContact CD2-CD 4.33Å; W357-K361 VanDerWaalsContact CE2-CE 3.47Å; W357-K361 HydrophobicContact CH2-CD 4.07Å; W357-K361 HydrophobicContact CZ2-CD 3.67Å; W357-K361 PolarHBondContact O-N 3.4Å; L358-K361 PolarHBondContact O-N 3.22Å; K361-V364 PolarHBondContact O-N 3.4Å; K361-K365 PolarHBondContact O-N 2.84Å; K361-K365 VanDerWaalsContact O-N 3.08Å
362	A	85.8	Confident	81.7	Confident	51 Å²	51	81 Å²	81	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-64.3	-41.7	177.1	0	0	0	0	0	111.6	L358 K359 S360 K365 Q366	L358-A362 PolarHBondContact O-N 3.28Å; K359-A362 PolarHBondContact O-N 3.24Å; S360-A362 PolarHBondContact O-N 3.27Å; A362-K365 PolarHBondContact O-N 3.12Å; A362-Q366 PolarHBondContact O-N 3.36Å
363	C	78.4	Confident	80	Confident	67 Å²	67	89.7 Å²	89.7	45%	0.453	47%	0.467	S	S	.	.	H	α-helix	trans	-60.1	-46.8	176	-172	0	0	0	0	111.8	K359 S360 K365 Q366 L367	K359-C363 PolarHBondContact O-N 2.96Å; K359-C363 VanDerWaalsContact O-N 3.09Å; S360-C363 PolarHBondContact O-N 2.99Å; C363-K365 PolarHBondContact O-N 3.04Å; C363-Q366 PolarHBondContact O-N 3.41Å; C363-L367 PolarHBondContact O-N 3.15Å
364	V	74.5	Confident	78	Confident	82 Å²	82	93.8 Å²	93.8	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-61.6	-41.7	177.3	174.5	0	0	0	0	111.8	S360 K361 Q366 L367 N368	S360-V364 WeakPolarHBondContact O-CG2 3.4Å; S360-V364 PolarHBondContact O-N 3.19Å; S360-V364 VanDerWaalsContact O-N 3.12Å; K361-V364 PolarHBondContact O-N 3.4Å; V364-Q366 PolarHBondContact O-N 2.87Å; V364-L367 PolarHBondContact O-N 3.2Å; V364-N368 PolarHBondContact O-N 3.18Å
365	K	70.9	Confident	75.5	Confident	152 Å²	152	98 Å²	98	66%	0.661	53%	0.526	S	S	*	.	H	α-helix	trans	-62.3	-42.4	176	-77.5	-174.8	178.3	-175.5	0	112.1	K361 A362 C363 N368 C369	K361-K365 PolarHBondContact O-N 2.84Å; K361-K365 VanDerWaalsContact O-N 3.08Å; A362-K365 PolarHBondContact O-N 3.12Å; C363-K365 PolarHBondContact O-N 3.04Å; K365-N368 PolarHBondContact O-N 2.97Å; K365-C369 PolarHBondContact O-N 3.23Å; K365-C369 PolarHBondContact O-SG 2.91Å; K365-C369 VanDerWaalsContact O-SG 3.34Å
366	Q	65.6	Low	74.5	Confident	145 Å²	145	100.8 Å²	100.8	68%	0.678	54%	0.538	S	S	*	.	H	α-helix	trans	-63.8	-43.2	177.8	-75.7	-178.8	-10.2	0	0	112.1	A362 C363 V364 C369 F370	A362-Q366 PolarHBondContact O-N 3.36Å; C363-Q366 PolarHBondContact O-N 3.41Å; V364-Q366 PolarHBondContact O-N 2.87Å; Q366-C369 PolarHBondContact O-N 3.33Å; Q366-F370 PolarHBondContact O-N 2.81Å
367	L	66.5	Low	73.4	Confident	97 Å²	97	105.1 Å²	105.1	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-58.6	-46.6	174.7	-91.3	146.2	0	0	0	112.2	C363 V364 C369 F370 N371	C363-L367 PolarHBondContact O-N 3.15Å; V364-L367 PolarHBondContact O-N 3.2Å; L367-C369 PolarHBondContact O-N 3.18Å; L367-F370 PolarHBondContact O-N 2.98Å; L367-N371 PolarHBondContact O-N 3.49Å
368	N	69.5	Low	72	Confident	102 Å²	102	108.9 Å²	108.9	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-65.2	-37.8	178.3	-70.5	-11	0	0	0	112.4	V364 K365 F370 A372	V364-N368 PolarHBondContact O-N 3.18Å; K365-N368 PolarHBondContact O-N 2.97Å; N368-F370 VanDerWaalsContact C-N 3.32Å; N368-A372 WeakPolarHBondContact O-CB 3.16Å; N368-A372 PolarHBondContact O-N 3.32Å
369	C	63.6	Low	70.6	Confident	82 Å²	82	110.6 Å²	110.6	55%	0.554	59%	0.591	S	S	*	*	H	α-helix	trans	-68.3	-30.2	174.7	-71.8	0	0	0	0	113.2	K365 Q366 L367	K365-C369 PolarHBondContact O-N 3.23Å; K365-C369 PolarHBondContact O-SG 2.91Å; K365-C369 VanDerWaalsContact O-SG 3.34Å; Q366-C369 PolarHBondContact O-N 3.33Å; L367-C369 PolarHBondContact O-N 3.18Å
370	F	60.9	Low	69.2	Low	164 Å²	164	107.6 Å²	107.6	72%	0.719	59%	0.585	S	S	*	*	H	α-helix	trans	-70.8	-47	175.9	-135.5	-87.5	0	0	0	110.6	Q366 L367 N368 A372 K373 S374	Q366-F370 PolarHBondContact O-N 2.81Å; L367-F370 PolarHBondContact O-N 2.98Å; N368-F370 VanDerWaalsContact C-N 3.32Å; F370-A372 VanDerWaalsContact C-N 3.34Å; F370-A372 PolarHBondContact O-N 3.34Å; F370-K373 PolarHBondContact O-N 2.59Å; F370-K373 VanDerWaalsContact O-N 3.15Å; F370-S374 PolarHBondContact O-N 2.91Å; F370-S374 PolarHBondContact O-OG 3.34Å
371	N	64.3	Low	67.8	Low	91 Å²	91	111.1 Å²	111.1	49%	0.487	60%	0.598	S	S	.	*	H	α-helix	trans	-63.2	-38.5	178.2	-68.5	-12.3	0	0	0	112.3	L367 K373 S374	L367-N371 PolarHBondContact O-N 3.49Å; N371-K373 PolarHBondContact O-N 3.42Å; N371-S374 WeakPolarHBondContact CA-OG 3.09Å; N371-S374 PolarHBondContact O-N 3.13Å; N371-S374 PolarHBondContact O-OG 2.97Å
372	A	63.4	Low	66.3	Low	69 Å²	69	112 Å²	112	57%	0.57	61%	0.61	S	S	*	*	H	α-helix	trans	-72.2	-7.5	177.8	0	0	0	0	0	114.8	N368 F370	N368-A372 WeakPolarHBondContact O-CB 3.16Å; N368-A372 PolarHBondContact O-N 3.32Å; F370-A372 VanDerWaalsContact C-N 3.34Å; F370-A372 PolarHBondContact O-N 3.34Å
373	K	62.3	Low	64.8	Low	184 Å²	184	116.7 Å²	116.7	80%	0.8	63%	0.625	S	S	*	*	H	α-helix	trans	-101.7	-10.6	173.1	-76.7	-175.4	176.7	-175.1	0	113.1	F370 N371	F370-K373 PolarHBondContact O-N 2.59Å; F370-K373 VanDerWaalsContact O-N 3.15Å; N371-K373 PolarHBondContact O-N 3.42Å
374	S	57.9	Low	63.7	Low	86 Å²	86	120.8 Å²	120.8	60%	0.601	64%	0.639	S	S	*	*	H	α-helix	trans	-96.9	-5.4	176.9	42.4	0	0	0	0	113.6	F370 N371	F370-S374 PolarHBondContact O-N 2.91Å; F370-S374 PolarHBondContact O-OG 3.34Å; N371-S374 WeakPolarHBondContact CA-OG 3.09Å; N371-S374 PolarHBondContact O-N 3.13Å; N371-S374 PolarHBondContact O-OG 2.97Å
375	D	45.3	Very low	62.7	Low	196 Å²	196	124.4 Å²	124.4	100%	1.048	65%	0.652	S	S	*	*			trans	-101.1	0	165.3	-62.1	-29.4	0	0	0	109.4

Retrieved 375 of 375 residues in 444.3 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).