AL4A1_HUMAN Loading...

Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial

Irreversible conversion of delta-1-pyrroline-5-carboxylate (P5C), derived either from proline or ornithine, to glutamate. This is a necessary step in the pathway interconnecting the urea and tricarboxylic acid cycles. The preferred substrate is glutamic gamma-semialdehyde, other substrates include succinic, glutaric and adipic semialdehydes.

AlphaFold DB , UniProt , Accession P30038, Species HUMAN (Homo sapiens, Human), Gene ALDH4A1, Length 563 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	40.6	Very low	47.9	Very low	244 Å²	244	144.7 Å²	144.7	100%	1.202	78%	0.782	S	S	*	*				0	108	0	-92.3	170.2	165.9	0	0	108.8
2	L	47.1	Very low	47.5	Very low	173 Å²	173	145.3 Å²	145.3	91%	0.906	78%	0.783	S	S	*	*			trans	22.1	107.6	158.5	-65.6	149.5	0	0	0	119.7
3	L	47.7	Very low	47.3	Very low	166 Å²	166	146 Å²	146	87%	0.869	79%	0.785	S	S	*	*			trans	-57.3	140.7	156.9	-76.9	151.2	0	0	0	110.6
4	P	54.7	Low	47.2	Very low	104 Å²	104	141.7 Å²	141.7	68%	0.675	77%	0.772	S	S	*	*			trans	-73.9	146.2	-179.4	25.2	-22.9	0	0	0	111.6	P6	P4-P6 WeakPolarHBondContact O-CD 3.34Å
5	A	54.7	Low	46.8	Very low	90 Å²	90	147 Å²	147	74%	0.744	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	8.1	-166.2	0	0	0	0	0	120.2
6	P	49.9	Very low	46.5	Very low	103 Å²	103	143.9 Å²	143.9	67%	0.669	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-14.8	177.3	-2.7	19.2	0	0	0	114.2	P4	P4-P6 WeakPolarHBondContact O-CD 3.34Å
7	A	48.7	Very low	46.3	Very low	77 Å²	77	150.4 Å²	150.4	64%	0.636	78%	0.779	S	S	*	*	H	α-helix	trans	-76.3	-26	-172.2	0	0	0	0	0	114.2
8	L	42.5	Very low	46.3	Very low	143 Å²	143	148.8 Å²	148.8	75%	0.749	78%	0.777	S	S	*	*	H	α-helix	trans	-84.8	-17.8	-178.8	-99.8	92.5	0	0	0	114.6
9	R	44.8	Very low	46.6	Very low	215 Å²	215	144.3 Å²	144.3	81%	0.811	77%	0.77	S	S	*	*	H	α-helix	trans	-79.8	-18.7	176.7	-90.8	-173.8	174.6	-149.7	-0.4	113.9
10	R	49.9	Very low	47	Very low	211 Å²	211	142.2 Å²	142.2	80%	0.796	77%	0.774	S	S	*	*	H	α-helix	trans	-78.5	-25.6	173.7	-99.5	-179.2	172.3	-172.9	-1.8	113.5	L12	R10-L12 VanDerWaalsContact C-N 3.34Å; R10-L12 PolarHBondContact O-N 3.04Å
11	A	46.5	Very low	48	Very low	66 Å²	66	137.1 Å²	137.1	55%	0.545	76%	0.755	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	-12.9	-179.3	0	0	0	0	0	114.3	S14	A11-S14 PolarHBondContact O-OG 3.23Å
12	L	42.6	Very low	49.9	Very low	151 Å²	151	130.2 Å²	130.2	79%	0.791	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-7.2	178.6	-79.2	157.1	0	0	0	113.8	R10	R10-L12 VanDerWaalsContact C-N 3.34Å; R10-L12 PolarHBondContact O-N 3.04Å
13	L	45.5	Very low	51.6	Low	155 Å²	155	132.6 Å²	132.6	81%	0.812	72%	0.719	S	S	*	*	S	Bend	trans	-98.3	-0.1	172.6	-73.2	165.5	0	0	0	113	R15	L13-R15 PolarHBondContact O-N 3.16Å
14	S	45.9	Very low	53.4	Low	86 Å²	86	130.3 Å²	130.3	60%	0.601	70%	0.699	S	S	*	*			trans	-88.3	34.7	177.9	65	0	0	0	0	113.1	A11 P16	A11-S14 PolarHBondContact O-OG 3.23Å; S14-P16 WeakPolarHBondContact O-CD 3.15Å
15	R	40.3	Very low	54.6	Low	221 Å²	221	134.6 Å²	134.6	83%	0.834	71%	0.707	S	S	*	*			trans	-63.8	120.3	161.3	-93.6	-172.5	168.3	-156	-2.7	106.5	L13 W17	L13-R15 PolarHBondContact O-N 3.16Å; R15-W17 PolarHBondContact O-N 2.9Å
16	P	43.3	Very low	55.9	Low	98 Å²	98	139 Å²	139	64%	0.636	71%	0.712	S	S	*	*			trans	-60	128.3	174.6	22.9	-24.2	0	0	0	106.5	S14 T18	S14-P16 WeakPolarHBondContact O-CD 3.15Å; P16-T18 HydrophobicContact CB-CG2 3.92Å; P16-T18 HydrophobicContact CG-CG2 3.9Å; P16-T18 PolarHBondContact O-N 3.32Å
17	W	42.9	Very low	57.4	Low	254 Å²	254	136.3 Å²	136.3	96%	0.962	69%	0.693	S	S	*	*			trans	-61.6	85.2	167.3	-98.3	50.7	0	0	0	107.4	R15	R15-W17 PolarHBondContact O-N 2.9Å
18	T	46.7	Very low	59.2	Low	122 Å²	122	136 Å²	136	75%	0.748	69%	0.687	S	S	*	*			trans	-93.6	100	177.8	51.4	0	0	0	0	108.3	P16	P16-T18 HydrophobicContact CB-CG2 3.92Å; P16-T18 HydrophobicContact CG-CG2 3.9Å; P16-T18 PolarHBondContact O-N 3.32Å
19	G	50.5	Low	61.5	Low	62 Å²	62	133.1 Å²	133.1	64%	0.639	68%	0.678	S	S	*	*	S	Bend	trans	119	-0.2	136.9	0	0	0	0	0	121
20	A	56.2	Low	63.9	Low	103 Å²	103	124.9 Å²	124.9	85%	0.851	65%	0.65	S	S	*	*			trans	-120.7	31	-175.9	0	0	0	0	0	115.3
21	G	67.9	Low	66.1	Low	36 Å²	36	123.4 Å²	123.4	37%	0.371	65%	0.65	S	S	.	*	S	Bend	trans	-76.1	168.5	172.4	0	0	0	0	0	113.4	R23 E549	G21-R23 PolarHBondContact O-N 3.09Å; G21-E549 WeakPolarHBondContact CA-OE1 3.02Å
22	L	80.2	Confident	68.6	Low	98 Å²	98	122.1 Å²	122.1	51%	0.513	64%	0.635	S	S	.	*			trans	-64.8	133.8	178.7	-71	169.8	0	0	0	110.4	W24 I547 E549	L22-W24 HydrophobicContact CB-CZ2 4.21Å; L22-W24 HydrophobicContact CD1-CZ2 3.93Å; L22-I547 HydrophobicContact CD1-CD1 4.49Å; L22-I547 HydrophobicContact CD1-CG2 3.79Å; L22-E549 PolarHBondContact N-OE2 2.87Å
23	R	83.3	Confident	71.3	Confident	223 Å²	223	118.2 Å²	118.2	84%	0.842	62%	0.624	S	S	*	*			trans	-112.8	127.1	172.8	-65	-171.8	-174.6	-168.9	2.8	109.8	G21	G21-R23 PolarHBondContact O-N 3.09Å
24	W	83.6	Confident	73.8	Confident	118 Å²	118	113 Å²	113	45%	0.447	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-98.6	130.4	178.8	-55.9	101.8	0	0	0	109.9	L22 S194 V196 I547	L22-W24 HydrophobicContact CB-CZ2 4.21Å; L22-W24 HydrophobicContact CD1-CZ2 3.93Å; W24-S194 PolarHBondContact NE1-OG 3.42Å; W24-V196 HydrophobicContact CH2-CG2 3.57Å; W24-V196 HydrophobicContact CZ3-CG2 3.74Å; W24-I547 HydrophobicContact CH2-CD1 3.83Å; W24-I547 HydrophobicContact CZ2-CB 4.49Å; W24-I547 HydrophobicContact CZ2-CD1 4.12Å
25	K	81.7	Confident	76.3	Confident	195 Å²	195	110 Å²	110	85%	0.848	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-72.5	146.3	175.9	-71.2	-177.7	178.8	179	0	109.7
26	H	80.9	Confident	79.1	Confident	183 Å²	183	103.5 Å²	103.5	85%	0.847	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-63.5	135.9	171.8	-169	-70.6	0	0	0	109.8
27	T	81.3	Confident	81.7	Confident	46 Å²	46	102.6 Å²	102.6	28%	0.282	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-82.4	137	180	54.7	0	0	0	0	110.2	E181	T27-E181 HydrophobicContact CG2-CB 3.55Å
28	S	87	Confident	84.4	Confident	71 Å²	71	93 Å²	93	50%	0.497	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-84.6	161.1	173.3	54.3	0	0	0	0	110.7	V178	S28-V178 WeakPolarHBondContact O-CG1 3.37Å
29	S	89.9	Confident	86.8	Confident	81 Å²	81	90.9 Å²	90.9	57%	0.566	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-102.1	149	163.7	66.5	0	0	0	0	109.3
30	L	95.4	Very high	89.1	Confident	43 Å²	43	88.5 Å²	88.5	23%	0.225	49%	0.487	C	S	.	.			trans	-114.1	131	175.8	-168.3	67.3	0	0	0	110.5	V32 L129 A174 K175 E179	L30-V32 HydrophobicContact CD2-CG1 3.91Å; L30-V32 HydrophobicContact CG-CG1 3.96Å; L30-L129 HydrophobicContact CD1-CD1 4.34Å; L30-L129 HydrophobicContact CD2-CD1 3.85Å; L30-L129 HydrophobicContact CD2-CD2 3.98Å; L30-L129 HydrophobicContact CD2-CG 4.47Å; L30-A174 HydrophobicContact CD2-CB 4.21Å; L30-K175 HydrophobicContact CB-CB 4.16Å; L30-K175 HydrophobicContact CB-CG 4.41Å; L30-K175 HydrophobicContact CD2-CB 4.12Å; L30-K175 HydrophobicContact CG-CB 4.49Å; L30-K175 WeakPolarHBondContact O-CD 3.3Å; L30-K175 PolarHBondContact O-NZ 2.83Å; L30-E179 PolarHBondContact N-OE1 3.33Å
31	K	97.4	Very high	91.1	Very high	180 Å²	180	87.7 Å²	87.7	78%	0.783	47%	0.471	S	S	*	.			trans	-98.6	122.6	172.7	-61.1	-60.7	-175.3	-176.4	0	108.5
32	V	98.4	Very high	92.5	Very high	38 Å²	38	93.1 Å²	93.1	23%	0.23	49%	0.487	C	S	.	.			trans	-135.8	159.5	174.3	-55.3	0	0	0	0	108.6	L30 R171 F172 K175	L30-V32 HydrophobicContact CD2-CG1 3.91Å; L30-V32 HydrophobicContact CG-CG1 3.96Å; V32-R171 HydrophobicContact CB-CB 4.08Å; V32-R171 HydrophobicContact CG1-CB 4Å; V32-R171 HydrophobicContact CG2-CB 4.47Å; V32-F172 HydrophobicContact CG2-CD1 3.97Å; V32-F172 HydrophobicContact CG2-CD2 4.04Å; V32-F172 HydrophobicContact CG2-CE1 4.06Å; V32-F172 HydrophobicContact CG2-CE2 4.13Å; V32-F172 HydrophobicContact CG2-CG 3.98Å; V32-F172 HydrophobicContact CG2-CZ 4.15Å; V32-K175 HydrophobicContact CG1-CB 4.38Å; V32-K175 HydrophobicContact CG2-CB 4.13Å; V32-K175 HydrophobicContact CG2-CD 3.7Å
33	A	98.6	Very high	93.3	Very high	69 Å²	69	91.2 Å²	91.2	57%	0.57	49%	0.491	S	S	*	.			trans	-133.1	160.8	173	0	0	0	0	0	108.8
34	N	98.8	Very high	94	Very high	47 Å²	47	81 Å²	81	25%	0.251	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-60.8	138	171.4	-66.8	107.7	0	0	0	110.4	D168 I514 V515 Q517	N34-D168 WeakPolarHBondContact CA-OD1 3.45Å; N34-D168 PolarHBondContact ND2-OD2 3.44Å; N34-I514 WeakPolarHBondContact ND2-CG2 3.48Å; N34-V515 PolarHBondContact ND2-O 2.93Å; N34-Q517 PolarHBondContact OD1-NE2 2.84Å
35	E	98.8	Very high	94.7	Very high	21 Å²	21	80.3 Å²	80.3	10%	0.098	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-63.1	130	174.2	-178.3	68.6	174.9	0	0	110.3	V37 S136 R140 A164 I167 D168 R171	E35-V37 PolarHBondContact O-N 3.08Å; E35-S136 WeakPolarHBondContact OE1-CB 3.19Å; E35-S136 PolarHBondContact OE1-OG 2.74Å; E35-S136 PolarHBondContact OE2-OG 2.82Å; E35-R140 IonicContact OE1-CZ 3.83Å; E35-R140 IonicContact OE1-NH1 2.69Å; E35-R140 PolarHBondContact OE1-NH1 3.47Å; E35-R140 IonicContact OE1-NH2 2.71Å; E35-A164 HydrophobicContact CB-CB 4.38Å; E35-I167 HydrophobicContact CB-CB 4.23Å; E35-I167 HydrophobicContact CB-CG2 3.82Å; E35-I167 HydrophobicContact CG-CB 4.4Å; E35-I167 HydrophobicContact CG-CD1 3.83Å; E35-I167 HydrophobicContact CG-CG2 4.08Å; E35-D168 PolarHBondContact N-OD1 3.47Å; E35-R171 IonicContact OE2-CZ 2.97Å; E35-R171 IonicContact OE2-NH1 2.89Å; E35-R171 PolarHBondContact OE2-NH1 2.87Å; E35-R171 IonicContact OE2-NH2 2.93Å
36	P	98.6	Very high	95.5	Very high	85 Å²	85	73.1 Å²	73.1	55%	0.552	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-60.3	133.3	173.8	-23.9	34.7	0	0	0	111.7	R140	P36-R140 PolarHBondContact O-NH2 3.41Å
37	V	98.6	Very high	96.4	Very high	79 Å²	79	66.7 Å²	66.7	48%	0.479	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-79	118.6	168.9	177.4	0	0	0	0	108.2	E35 I156 E159 I160 A164	E35-V37 PolarHBondContact O-N 3.08Å; V37-I156 HydrophobicContact CG1-CD1 3.64Å; V37-E159 HydrophobicContact CG1-CG 3.85Å; V37-I160 HydrophobicContact CG1-CG2 4.05Å; V37-I160 HydrophobicContact CG2-CG2 4.16Å; V37-A164 HydrophobicContact CG2-CB 4.21Å
38	L	98.5	Very high	97.2	Very high	53 Å²	53	68.6 Å²	68.6	28%	0.277	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-76.8	153.7	-178.5	-53.1	-176	0	0	0	111.5	F40 E46 E159	L38-F40 HydrophobicContact CB-CD2 4.21Å; L38-F40 HydrophobicContact CB-CE2 3.76Å; L38-F40 HydrophobicContact CB-CZ 4.25Å; L38-F40 WeakPolarHBondContact O-CD2 3.23Å; L38-E46 HydrophobicContact CB-CG 3.94Å; L38-E46 HydrophobicContact CD1-CB 3.71Å; L38-E46 HydrophobicContact CD1-CG 3.96Å; L38-E159 WeakPolarHBondContact CG-OE1 3.46Å; L38-E159 PolarHBondContact N-OE1 3.3Å
39	A	98.1	Very high	97.8	Very high	77 Å²	77	67.2 Å²	67.2	64%	0.636	40%	0.403	S	S	*	.			trans	-90.5	-24.5	-170.2	0	0	0	0	0	113.9	T41	A39-T41 HydrophobicContact CB-CG2 4.03Å; A39-T41 PolarHBondContact O-N 2.83Å
40	F	98.3	Very high	98.2	Very high	13 Å²	13	63.3 Å²	63.3	6%	0.057	38%	0.376	C	S	.	.			trans	53.9	36.3	-179.3	-61	-91.6	0	0	0	113.9	L38 E46 R47 L50 L144 V155 E159	L38-F40 HydrophobicContact CB-CD2 4.21Å; L38-F40 HydrophobicContact CB-CE2 3.76Å; L38-F40 HydrophobicContact CB-CZ 4.25Å; L38-F40 WeakPolarHBondContact O-CD2 3.23Å; F40-E46 HydrophobicContact CD1-CB 4.12Å; F40-E46 HydrophobicContact CD1-CG 3.6Å; F40-E46 HydrophobicContact CD2-CG 4.35Å; F40-E46 HydrophobicContact CE1-CB 3.82Å; F40-E46 HydrophobicContact CE1-CG 3.73Å; F40-E46 HydrophobicContact CE2-CG 4.45Å; F40-E46 HydrophobicContact CG-CG 3.92Å; F40-E46 HydrophobicContact CZ-CB 4.32Å; F40-E46 HydrophobicContact CZ-CG 4.16Å; F40-E46 PolarHBondContact N-OE1 3.34Å; F40-R47 HydrophobicContact CB-CB 4.47Å; F40-R47 WeakPolarHBondContact O-CD 3.44Å; F40-R47 PolarHBondContact O-NH1 3.17Å; F40-L50 HydrophobicContact CD1-CD2 3.96Å; F40-L50 HydrophobicContact CE1-CB 4.22Å; F40-L50 HydrophobicContact CE1-CD2 3.78Å; F40-L144 HydrophobicContact CE1-CD2 3.98Å; F40-L144 HydrophobicContact CE2-CD2 4.35Å; F40-L144 HydrophobicContact CZ-CD2 3.43Å; F40-L144 VanDerWaalsContact CZ-CD2 3.43Å; F40-V155 HydrophobicContact CB-CG1 3.93Å; F40-V155 HydrophobicContact CD1-CG1 3.7Å; F40-V155 HydrophobicContact CD2-CG1 3.59Å; F40-V155 HydrophobicContact CE1-CG1 4.09Å; F40-V155 HydrophobicContact CE2-CG1 3.99Å; F40-V155 HydrophobicContact CG-CG1 3.44Å; F40-V155 VanDerWaalsContact CG-CG1 3.44Å; F40-V155 HydrophobicContact CZ-CG1 4.24Å; F40-E159 HydrophobicContact CE2-CB 3.86Å; F40-E159 HydrophobicContact CE2-CG 3.71Å; F40-E159 HydrophobicContact CZ-CB 4.37Å; F40-E159 HydrophobicContact CZ-CG 4.41Å
41	T	98	Very high	98.3	Very high	85 Å²	85	65.1 Å²	65.1	52%	0.521	38%	0.384	S	S	.	.			trans	-67.1	159.7	176.2	54.7	0	0	0	0	111.1	A39 G43 S44 R47	A39-T41 HydrophobicContact CB-CG2 4.03Å; A39-T41 PolarHBondContact O-N 2.83Å; T41-G43 PolarHBondContact O-N 3.1Å; T41-S44 PolarHBondContact N-OG 2.65Å; T41-S44 VanDerWaalsContact O-CB 3.32Å; T41-S44 WeakPolarHBondContact O-CB 3.27Å; T41-S44 PolarHBondContact O-N 2.83Å; T41-S44 VanDerWaalsContact O-N 3.07Å; T41-S44 PolarHBondContact O-OG 2.69Å; T41-R47 WeakPolarHBondContact O-CD 3.47Å
42	Q	97.2	Very high	98.4	Very high	151 Å²	151	63.3 Å²	63.3	71%	0.706	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	126.6	176.6	-169.7	65.5	26	0	0	110.2	R47	Q42-R47 VanDerWaalsContact OE1-NE 3.17Å
43	G	97	Very high	98.4	Very high	57 Å²	57	62.1 Å²	62.1	59%	0.588	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	3.6	-177.5	0	0	0	0	0	115.4	T41	T41-G43 PolarHBondContact O-N 3.1Å
44	S	98.5	Very high	98.4	Very high	10 Å²	10	59.4 Å²	59.4	7%	0.07	35%	0.346	C	S	.	.			trans	-76.5	141.4	173.1	64.6	0	0	0	0	111.6	T41 E46 R47 D48	T41-S44 PolarHBondContact N-OG 2.65Å; T41-S44 VanDerWaalsContact O-CB 3.32Å; T41-S44 WeakPolarHBondContact O-CB 3.27Å; T41-S44 PolarHBondContact O-N 2.83Å; T41-S44 VanDerWaalsContact O-N 3.07Å; T41-S44 PolarHBondContact O-OG 2.69Å; S44-E46 VanDerWaalsContact CB-CD 3.42Å; S44-E46 WeakPolarHBondContact CB-OE1 3.42Å; S44-E46 WeakPolarHBondContact CB-OE2 3.34Å; S44-E46 PolarHBondContact O-N 2.64Å; S44-E46 PolarHBondContact OG-OE1 2.89Å; S44-R47 PolarHBondContact O-N 3.18Å; S44-R47 VanDerWaalsContact O-N 3.11Å; S44-R47 VanDerWaalsContact OG-CB 3.26Å; S44-R47 WeakPolarHBondContact OG-CB 3.41Å; S44-R47 PolarHBondContact OG-N 2.92Å; S44-D48 PolarHBondContact O-N 3.33Å
45	P	98.4	Very high	98.3	Very high	103 Å²	103	65 Å²	65	67%	0.669	37%	0.368	S	S	*	.	H	α-helix	trans	-57.2	-35.9	179.9	-25.9	34.6	0	0	0	113.8	D48 A49	P45-D48 PolarHBondContact O-N 3.47Å; P45-A49 VanDerWaalsContact O-CB 3.32Å; P45-A49 WeakPolarHBondContact O-CB 3.42Å; P45-A49 PolarHBondContact O-N 3.22Å
46	E	98.5	Very high	98.2	Very high	44 Å²	44	67.1 Å²	67.1	21%	0.206	38%	0.38	C	S	.	.	H	α-helix	trans	-68.3	-33.7	178.7	67.6	-85.4	-163.5	0	0	112.8	L38 F40 S44 L50	L38-E46 HydrophobicContact CB-CG 3.94Å; L38-E46 HydrophobicContact CD1-CB 3.71Å; L38-E46 HydrophobicContact CD1-CG 3.96Å; F40-E46 HydrophobicContact CD1-CB 4.12Å; F40-E46 HydrophobicContact CD1-CG 3.6Å; F40-E46 HydrophobicContact CD2-CG 4.35Å; F40-E46 HydrophobicContact CE1-CB 3.82Å; F40-E46 HydrophobicContact CE1-CG 3.73Å; F40-E46 HydrophobicContact CE2-CG 4.45Å; F40-E46 HydrophobicContact CG-CG 3.92Å; F40-E46 HydrophobicContact CZ-CB 4.32Å; F40-E46 HydrophobicContact CZ-CG 4.16Å; F40-E46 PolarHBondContact N-OE1 3.34Å; S44-E46 VanDerWaalsContact CB-CD 3.42Å; S44-E46 WeakPolarHBondContact CB-OE1 3.42Å; S44-E46 WeakPolarHBondContact CB-OE2 3.34Å; S44-E46 PolarHBondContact O-N 2.64Å; S44-E46 PolarHBondContact OG-OE1 2.89Å; E46-L50 VanDerWaalsContact O-CB 3.26Å; E46-L50 WeakPolarHBondContact O-CB 3.48Å; E46-L50 PolarHBondContact O-N 2.69Å
47	R	98.7	Very high	98.2	Very high	47 Å²	47	64.3 Å²	64.3	18%	0.177	36%	0.36	C	S	.	.	H	α-helix	trans	-68.1	-45.5	175.2	-173.3	-176.3	-177.3	98.8	0.2	110.5	F40 T41 Q42 S44 L50 Q51 F384	F40-R47 HydrophobicContact CB-CB 4.47Å; F40-R47 WeakPolarHBondContact O-CD 3.44Å; F40-R47 PolarHBondContact O-NH1 3.17Å; T41-R47 WeakPolarHBondContact O-CD 3.47Å; Q42-R47 VanDerWaalsContact OE1-NE 3.17Å; S44-R47 PolarHBondContact O-N 3.18Å; S44-R47 VanDerWaalsContact O-N 3.11Å; S44-R47 VanDerWaalsContact OG-CB 3.26Å; S44-R47 WeakPolarHBondContact OG-CB 3.41Å; S44-R47 PolarHBondContact OG-N 2.92Å; R47-L50 PolarHBondContact O-N 3.23Å; R47-Q51 WeakPolarHBondContact O-CB 3.47Å; R47-Q51 WeakPolarHBondContact O-CG 3.4Å; R47-Q51 PolarHBondContact O-N 2.9Å; R47-F384 HydrophobicContact CG-CE2 4.11Å
48	D	98.5	Very high	97.9	Very high	86 Å²	86	66.8 Å²	66.8	46%	0.46	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-43.9	178.8	-68.1	-12.7	0	0	0	111.3	S44 P45 L50 Q51 K52	S44-D48 PolarHBondContact O-N 3.33Å; P45-D48 PolarHBondContact O-N 3.47Å; D48-L50 PolarHBondContact O-N 3.44Å; D48-Q51 PolarHBondContact O-N 3.18Å; D48-K52 WeakPolarHBondContact O-CB 3.44Å; D48-K52 PolarHBondContact O-N 3.39Å
49	A	98.7	Very high	97.7	Very high	42 Å²	42	67.5 Å²	67.5	35%	0.347	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-42.9	176.6	0	0	0	0	0	112	P45 K52 A53 A141	P45-A49 VanDerWaalsContact O-CB 3.32Å; P45-A49 WeakPolarHBondContact O-CB 3.42Å; P45-A49 PolarHBondContact O-N 3.22Å; A49-K52 PolarHBondContact O-N 3.23Å; A49-A53 PolarHBondContact O-N 3.14Å; A49-A141 HydrophobicContact CB-CB 3.91Å
50	L	98.8	Very high	97.6	Very high	0 Å²	0	71 Å²	71	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-66.4	-44.5	177.5	-179.3	59.3	0	0	0	112.1	F40 E46 R47 D48 K52 A53 L54 L144 A145 M148 V155 F384	F40-L50 HydrophobicContact CD1-CD2 3.96Å; F40-L50 HydrophobicContact CE1-CB 4.22Å; F40-L50 HydrophobicContact CE1-CD2 3.78Å; E46-L50 VanDerWaalsContact O-CB 3.26Å; E46-L50 WeakPolarHBondContact O-CB 3.48Å; E46-L50 PolarHBondContact O-N 2.69Å; R47-L50 PolarHBondContact O-N 3.23Å; D48-L50 PolarHBondContact O-N 3.44Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.92Å; L50-A53 PolarHBondContact O-N 3.37Å; L50-A53 VanDerWaalsContact O-N 3.12Å; L50-L54 HydrophobicContact CD1-CD1 4.39Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 HydrophobicContact CG-CG 4.37Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.47Å; L50-L144 HydrophobicContact CD1-CB 3.73Å; L50-L144 HydrophobicContact CD2-CD2 4.45Å; L50-A145 HydrophobicContact CD1-CB 4.08Å; L50-M148 HydrophobicContact CD1-SD 4.04Å; L50-M148 HydrophobicContact CD2-SD 3.92Å; L50-M148 HydrophobicContact CG-SD 4.36Å; L50-V155 HydrophobicContact CD2-CB 4.25Å; L50-V155 HydrophobicContact CD2-CG1 3.66Å; L50-V155 HydrophobicContact CD2-CG2 3.83Å; L50-F384 HydrophobicContact CD2-CE2 4.46Å; L50-F384 HydrophobicContact CD2-CZ 4.2Å; L50-F384 HydrophobicContact CG-CZ 4.45Å
51	Q	98.6	Very high	97.6	Very high	81 Å²	81	75 Å²	75	38%	0.379	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-39.4	176.3	-75.4	-179.6	-29.8	0	0	111.7	R47 D48 K55 F384	R47-Q51 WeakPolarHBondContact O-CB 3.47Å; R47-Q51 WeakPolarHBondContact O-CG 3.4Å; R47-Q51 PolarHBondContact O-N 2.9Å; D48-Q51 PolarHBondContact O-N 3.18Å; Q51-K55 WeakPolarHBondContact O-CB 3.41Å; Q51-K55 PolarHBondContact O-N 3.37Å; Q51-F384 HydrophobicContact CG-CE2 4.23Å; Q51-F384 HydrophobicContact CG-CZ 4.02Å
52	K	98.4	Very high	97.7	Very high	141 Å²	141	73.7 Å²	73.7	61%	0.613	39%	0.389	S	S	*	.	H	α-helix	trans	-61.3	-49	172	-177.8	-178	175.2	-174.4	0	111.6	D48 A49 L50 L54 K55 D56	D48-K52 WeakPolarHBondContact O-CB 3.44Å; D48-K52 PolarHBondContact O-N 3.39Å; A49-K52 PolarHBondContact O-N 3.23Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.92Å; K52-L54 PolarHBondContact O-N 3.05Å; K52-K55 WeakPolarHBondContact O-CB 3.47Å; K52-K55 PolarHBondContact O-N 3.48Å; K52-D56 PolarHBondContact O-N 3.1Å
53	A	98.6	Very high	97.7	Very high	13 Å²	13	69.5 Å²	69.5	11%	0.107	38%	0.38	C	S	.	.	H	α-helix	trans	-63.2	-38.6	179.9	0	0	0	0	0	113	A49 L50 D56 L57 A141 A145	A49-A53 PolarHBondContact O-N 3.14Å; L50-A53 PolarHBondContact O-N 3.37Å; L50-A53 VanDerWaalsContact O-N 3.12Å; A53-D56 PolarHBondContact O-N 3.4Å; A53-L57 PolarHBondContact O-N 3.36Å; A53-A141 HydrophobicContact CB-CB 4.01Å; A53-A141 WeakPolarHBondContact CB-O 3.21Å; A53-A145 HydrophobicContact CB-CB 3.64Å
54	L	98.6	Very high	97.8	Very high	13 Å²	13	66.8 Å²	66.8	7%	0.068	35%	0.352	C	S	.	.	H	α-helix	trans	-63.5	-44.2	173.6	-71.4	169.4	0	0	0	111.5	L50 K52 D56 L57 K58 A145 M148 V149 A381 F384	L50-L54 HydrophobicContact CD1-CD1 4.39Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 HydrophobicContact CG-CG 4.37Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.47Å; K52-L54 PolarHBondContact O-N 3.05Å; L54-D56 VanDerWaalsContact C-N 3.27Å; L54-D56 PolarHBondContact O-N 2.67Å; L54-L57 PolarHBondContact O-N 2.85Å; L54-L57 VanDerWaalsContact O-N 3.09Å; L54-K58 PolarHBondContact O-N 2.88Å; L54-A145 HydrophobicContact CD2-CB 3.88Å; L54-A145 HydrophobicContact CG-CB 4.13Å; L54-M148 HydrophobicContact CD1-CE 4.02Å; L54-M148 HydrophobicContact CD1-SD 4.36Å; L54-M148 HydrophobicContact CD2-CB 4.19Å; L54-M148 HydrophobicContact CD2-CE 4.22Å; L54-M148 HydrophobicContact CD2-SD 4.18Å; L54-V149 HydrophobicContact CD2-CG2 3.69Å; L54-A381 HydrophobicContact CD1-CB 4.3Å; L54-A381 HydrophobicContact CD2-CB 3.93Å; L54-F384 HydrophobicContact CD1-CE1 3.73Å; L54-F384 HydrophobicContact CD1-CZ 3.77Å
55	K	97.5	Very high	97.9	Very high	165 Å²	165	66.4 Å²	66.4	72%	0.717	35%	0.35	S	S	*	.	H	α-helix	trans	-59.9	-39.3	174.6	-176.6	-179.8	178.6	-179.8	0	111.8	Q51 K52 L57 K58	Q51-K55 WeakPolarHBondContact O-CB 3.41Å; Q51-K55 PolarHBondContact O-N 3.37Å; K52-K55 WeakPolarHBondContact O-CB 3.47Å; K52-K55 PolarHBondContact O-N 3.48Å; K55-L57 PolarHBondContact O-N 3.35Å; K55-K58 WeakPolarHBondContact O-CB 3.45Å; K55-K58 PolarHBondContact O-N 3.11Å
56	D	96.7	Very high	97.9	Very high	64 Å²	64	61.5 Å²	61.5	34%	0.342	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-23.2	177.1	-74.9	-32	0	0	0	113	K52 A53 L54 R60	K52-D56 PolarHBondContact O-N 3.1Å; A53-D56 PolarHBondContact O-N 3.4Å; L54-D56 VanDerWaalsContact C-N 3.27Å; L54-D56 PolarHBondContact O-N 2.67Å; D56-R60 WeakPolarHBondContact O-CD 3.38Å; D56-R60 WeakPolarHBondContact O-CG 3.16Å; D56-R60 PolarHBondContact O-NE 2.83Å; D56-R60 PolarHBondContact O-NH1 2.89Å; D56-R60 IonicContact OD1-NH2 3.61Å
57	L	97.4	Very high	97.9	Very high	27 Å²	27	59.5 Å²	59.5	14%	0.141	31%	0.309	C	S	.	.	H	α-helix	trans	-90.6	-16.2	175.8	-67.8	177.6	0	0	0	113.8	A53 L54 K55 G59 R60 H89 A145 K146 V149	A53-L57 PolarHBondContact O-N 3.36Å; L54-L57 PolarHBondContact O-N 2.85Å; L54-L57 VanDerWaalsContact O-N 3.09Å; K55-L57 PolarHBondContact O-N 3.35Å; L57-G59 PolarHBondContact O-N 2.82Å; L57-G59 VanDerWaalsContact O-N 3.14Å; L57-R60 PolarHBondContact O-N 2.95Å; L57-H89 PolarHBondContact O-CE1 2.98Å; L57-A145 VanDerWaalsContact CD1-C 3.46Å; L57-A145 HydrophobicContact CD1-CB 3.74Å; L57-K146 HydrophobicContact CD1-CB 4.41Å; L57-K146 HydrophobicContact CD1-CG 3.83Å; L57-K146 HydrophobicContact CD2-CG 4.27Å; L57-V149 HydrophobicContact CB-CG2 4.44Å; L57-V149 HydrophobicContact CD1-CB 4.34Å; L57-V149 HydrophobicContact CD1-CG2 4.2Å
58	K	93.9	Very high	97.9	Very high	131 Å²	131	57.6 Å²	57.6	57%	0.57	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	117.4	-176.2	-167.8	165.5	-173.7	159.7	0	111	L54 K55 R60 E382	L54-K58 PolarHBondContact O-N 2.88Å; K55-K58 WeakPolarHBondContact O-CB 3.45Å; K55-K58 PolarHBondContact O-N 3.11Å; K58-R60 PolarHBondContact O-N 2.8Å; K58-E382 VanDerWaalsContact NZ-CD 3.28Å; K58-E382 IonicContact NZ-OE1 3.53Å; K58-E382 PolarHBondContact NZ-OE1 3.4Å; K58-E382 IonicContact NZ-OE2 3.98Å; K58-E382 PolarHBondContact NZ-OE2 3.23Å
59	G	93.4	Very high	97.9	Very high	68 Å²	68	53.7 Å²	53.7	70%	0.701	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	6	-179.1	0	0	0	0	0	115.5	L57	L57-G59 PolarHBondContact O-N 2.82Å; L57-G59 VanDerWaalsContact O-N 3.14Å
60	R	97.1	Very high	97.8	Very high	151 Å²	151	57.2 Å²	57.2	57%	0.57	30%	0.295	S	S	*	.			trans	-91	145.1	176.7	-63.2	-157.6	-173	150.1	5.4	111.6	D56 L57 K58 H89	D56-R60 WeakPolarHBondContact O-CD 3.38Å; D56-R60 WeakPolarHBondContact O-CG 3.16Å; D56-R60 PolarHBondContact O-NE 2.83Å; D56-R60 PolarHBondContact O-NH1 2.89Å; D56-R60 IonicContact OD1-NH2 3.61Å; L57-R60 PolarHBondContact O-N 2.95Å; K58-R60 PolarHBondContact O-N 2.8Å; R60-H89 PolarHBondContact O-NE2 2.92Å
61	M	98.4	Very high	97.8	Very high	95 Å²	95	61.8 Å²	61.8	47%	0.468	32%	0.317	S	S	.	.			trans	-122.7	118.4	171.6	-175.8	178.7	66.1	0	0	108.4	Y80 K90 V91 K93	M61-Y80 HydrophobicContact SD-CD1 4Å; M61-Y80 HydrophobicContact SD-CE1 3.82Å; M61-K90 WeakPolarHBondContact CA-O 3.44Å; M61-K90 WeakPolarHBondContact CB-O 3.42Å; M61-K90 HydrophobicContact CG-CB 4.28Å; M61-K90 VanDerWaalsContact CG-O 3.3Å; M61-K90 WeakPolarHBondContact CG-O 3.35Å; M61-K90 HydrophobicContact SD-CB 3.8Å; M61-K90 HydrophobicContact SD-CD 4.44Å; M61-V91 WeakPolarHBondContact CA-O 3.47Å; M61-K93 HydrophobicContact CE-CB 4.18Å; M61-K93 HydrophobicContact CG-CB 4.31Å; M61-K93 HydrophobicContact SD-CB 3.93Å
62	E	98.6	Very high	97.8	Very high	59 Å²	59	63.1 Å²	63.1	28%	0.276	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.6	176.6	-165.8	169.7	158.9	0	0	110.3	I64 V91 A92 K93 K146 L240 Y243	E62-I64 HydrophobicContact CB-CG1 4.28Å; E62-I64 HydrophobicContact CG-CG1 4.01Å; E62-V91 PolarHBondContact N-O 2.68Å; E62-A92 CarbonylContact O-C 3.56Å; E62-A92 WeakPolarHBondContact O-CA 3.35Å; E62-K93 PolarHBondContact O-N 2.66Å; E62-K146 IonicContact OE1-NZ 3.01Å; E62-K146 WeakPolarHBondContact OE2-CE 3.44Å; E62-K146 IonicContact OE2-NZ 3.48Å; E62-K146 PolarHBondContact OE2-NZ 2.91Å; E62-L240 HydrophobicContact CB-CD1 3.8Å; E62-L240 HydrophobicContact CG-CD1 4.48Å; E62-L240 VanDerWaalsContact OE2-CD1 3.23Å; E62-L240 WeakPolarHBondContact OE2-CD1 3.31Å; E62-Y243 WeakPolarHBondContact OE1-CD1 3.33Å
63	A	98.7	Very high	97.8	Very high	63 Å²	63	57.5 Å²	57.5	52%	0.521	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.2	172.2	0	0	0	0	0	109	W74 K93	A63-W74 HydrophobicContact CB-CH2 3.98Å; A63-W74 HydrophobicContact CB-CZ2 3.87Å; A63-K93 CarbonylContact C-O 3.05Å; A63-K93 WeakPolarHBondContact CA-O 3.39Å
64	I	98.8	Very high	97.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.1	-172.4	-61.2	177.3	0	0	0	109.5	E62 W74 A92 K93 F94 M239 L240 Y243 F261	E62-I64 HydrophobicContact CB-CG1 4.28Å; E62-I64 HydrophobicContact CG-CG1 4.01Å; I64-W74 WeakPolarHBondContact O-CH2 3.42Å; I64-A92 HydrophobicContact CD1-CB 3.62Å; I64-A92 HydrophobicContact CG1-CB 4.28Å; I64-K93 PolarHBondContact N-O 3.2Å; I64-F94 HydrophobicContact CB-CB 4.16Å; I64-F94 VanDerWaalsContact O-CA 3.27Å; I64-F94 WeakPolarHBondContact O-CA 3.3Å; I64-F94 WeakPolarHBondContact O-CB 3.16Å; I64-M239 HydrophobicContact CD1-CG 3.94Å; I64-M239 HydrophobicContact CG2-CG 4.17Å; I64-L240 HydrophobicContact CD1-CD1 4.32Å; I64-Y243 HydrophobicContact CB-CD1 4.43Å; I64-Y243 HydrophobicContact CB-CG 4.47Å; I64-Y243 HydrophobicContact CD1-CD1 4.3Å; I64-Y243 HydrophobicContact CD1-CG 4.35Å; I64-Y243 HydrophobicContact CG1-CD1 3.92Å; I64-Y243 HydrophobicContact CG1-CG 4.25Å; I64-Y243 HydrophobicContact CG2-CD1 3.94Å; I64-Y243 HydrophobicContact CG2-CD2 3.69Å; I64-Y243 HydrophobicContact CG2-CE1 4.43Å; I64-Y243 HydrophobicContact CG2-CE2 4.21Å; I64-Y243 HydrophobicContact CG2-CG 3.54Å; I64-F261 HydrophobicContact CG2-CE1 3.79Å
65	P	98.8	Very high	97.8	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.013	32%	0.318	C	S	.	.			trans	-79	165.2	178.6	34.7	-36.1	0	0	0	111.5	V67 E72 W74	P65-V67 HydrophobicContact CG-CG2 4.18Å; P65-E72 HydrophobicContact CB-CB 3.82Å; P65-E72 HydrophobicContact CB-CG 4.32Å; P65-E72 HydrophobicContact CG-CB 3.72Å; P65-E72 HydrophobicContact CG-CG 3.65Å; P65-W74 HydrophobicContact CB-CZ2 4.23Å
66	C	98.9	Very high	97.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	148.4	153	-68.9	0	0	0	0	108.5	E72 V73 L101 F261	C66-E72 WeakPolarHBondContact O-CA 3.36Å; C66-V73 HydrophobicContact CB-CB 4.37Å; C66-V73 PolarHBondContact N-O 2.79Å; C66-V73 PolarHBondContact O-N 2.72Å; C66-L101 HydrophobicContact CB-CD2 3.88Å; C66-F261 CarbonylContact C-O 3.55Å; C66-F261 VanDerWaalsContact CA-O 3.31Å; C66-F261 WeakPolarHBondContact CA-O 3.24Å
67	V	98.9	Very high	97.9	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.5	175.8	-170.5	0	0	0	0	110.2	P65 E71 Y243 Y246 F261	P65-V67 HydrophobicContact CG-CG2 4.18Å; V67-E71 WeakPolarHBondContact CA-O 3.34Å; V67-Y243 HydrophobicContact CG2-CE2 3.98Å; V67-Y246 HydrophobicContact CB-CE1 3.72Å; V67-Y246 HydrophobicContact CG1-CE1 3.87Å; V67-Y246 WeakPolarHBondContact CG1-OH 3.28Å; V67-Y246 HydrophobicContact CG2-CE1 3.77Å; V67-F261 HydrophobicContact CB-CB 4.14Å; V67-F261 HydrophobicContact CG2-CB 4.45Å; V67-F261 PolarHBondContact N-O 3.44Å; V67-F261 PolarHBondContact O-N 2.89Å
68	V	98.8	Very high	98	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	107.3	175.1	-179.6	0	0	0	0	108.4	D70 E71 L101 A105 A108 V262	V68-D70 PolarHBondContact O-N 2.79Å; V68-E71 PolarHBondContact N-O 2.81Å; V68-E71 WeakPolarHBondContact O-CB 3.29Å; V68-E71 PolarHBondContact O-N 2.82Å; V68-L101 HydrophobicContact CG2-CD1 3.74Å; V68-L101 HydrophobicContact CG2-CG 4.39Å; V68-A105 HydrophobicContact CG1-CB 4.18Å; V68-A105 HydrophobicContact CG2-CB 3.8Å; V68-A108 HydrophobicContact CG1-CB 4.14Å; V68-V262 HydrophobicContact CG2-CG1 4.44Å
69	G	97.8	Very high	98.2	Very high	4 Å²	4	58.7 Å²	58.7	4%	0.041	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-115.3	-168.5	0	0	0	0	0	111.1	R250 N257	G69-R250 PolarHBondContact O-NH1 3.4Å; G69-N257 WeakPolarHBondContact CA-OD1 3.21Å; G69-N257 PolarHBondContact N-OD1 3.25Å; G69-N257 VanDerWaalsContact N-OD1 3.08Å
70	D	98.2	Very high	98.5	Very high	116 Å²	116	60 Å²	60	62%	0.62	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-0.9	171.7	-71.5	-47.5	0	0	0	112.7	V68 R250 P256	V68-D70 PolarHBondContact O-N 2.79Å; D70-R250 IonicContact OD1-CZ 3.05Å; D70-R250 IonicContact OD1-NH1 3.97Å; D70-R250 PolarHBondContact OD1-NH1 3.22Å; D70-R250 IonicContact OD1-NH2 3.3Å; D70-R250 PolarHBondContact OD1-NH2 3.49Å; D70-P256 WeakPolarHBondContact OD2-CB 3.44Å
71	E	98.5	Very high	98.6	Very high	96 Å²	96	53 Å²	53	45%	0.449	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.9	-178.4	-166.5	-173.6	158.6	0	0	110.1	V67 V68 V73 K104	V67-E71 WeakPolarHBondContact CA-O 3.34Å; V68-E71 PolarHBondContact N-O 2.81Å; V68-E71 WeakPolarHBondContact O-CB 3.29Å; V68-E71 PolarHBondContact O-N 2.82Å; E71-V73 HydrophobicContact CB-CG2 4.24Å; E71-V73 HydrophobicContact CG-CG2 3.78Å; E71-K104 IonicContact OE1-NZ 3.94Å; E71-K104 PolarHBondContact OE1-NZ 2.82Å; E71-K104 IonicContact OE2-NZ 2.75Å; E71-K104 PolarHBondContact OE2-NZ 3.32Å
72	E	98.7	Very high	98.6	Very high	109 Å²	109	50.3 Å²	50.3	51%	0.509	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	114.8	167.9	-66.9	-173	178.6	0	0	109.2	P65 C66 R247	P65-E72 HydrophobicContact CB-CB 3.82Å; P65-E72 HydrophobicContact CB-CG 4.32Å; P65-E72 HydrophobicContact CG-CB 3.72Å; P65-E72 HydrophobicContact CG-CG 3.65Å; C66-E72 WeakPolarHBondContact O-CA 3.36Å; E72-R247 IonicContact OE1-NH1 2.64Å
73	V	98.6	Very high	98.6	Very high	22 Å²	22	47.5 Å²	47.5	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.5	-172.8	-172	0	0	0	0	110.8	C66 E71 L101	C66-V73 HydrophobicContact CB-CB 4.37Å; C66-V73 PolarHBondContact N-O 2.79Å; C66-V73 PolarHBondContact O-N 2.72Å; E71-V73 HydrophobicContact CB-CG2 4.24Å; E71-V73 HydrophobicContact CG-CG2 3.78Å; V73-L101 HydrophobicContact CB-CD1 4.18Å; V73-L101 HydrophobicContact CB-CD2 4.02Å; V73-L101 HydrophobicContact CG1-CD1 3.84Å; V73-L101 HydrophobicContact CG1-CD2 3.65Å; V73-L101 HydrophobicContact CG1-CG 4.41Å; V73-L101 HydrophobicContact CG2-CD1 4.14Å
74	W	98.7	Very high	98.6	Very high	110 Å²	110	44.5 Å²	44.5	42%	0.417	23%	0.23	S	C	.	.			trans	-117.3	136.2	174.4	-72.7	89.8	0	0	0	111.2	A63 I64 P65 K93 C95	A63-W74 HydrophobicContact CB-CH2 3.98Å; A63-W74 HydrophobicContact CB-CZ2 3.87Å; I64-W74 WeakPolarHBondContact O-CH2 3.42Å; P65-W74 HydrophobicContact CB-CZ2 4.23Å; W74-K93 WeakPolarHBondContact CH2-O 3.2Å; W74-K93 HydrophobicContact CZ3-CG 4.43Å; W74-C95 HydrophobicContact CE3-CB 3.94Å; W74-C95 HydrophobicContact CZ3-CB 4.29Å
75	T	98.4	Very high	98.6	Very high	23 Å²	23	45 Å²	45	14%	0.141	23%	0.233	C	C	.	.			trans	-107.4	171.3	169.1	74	0	0	0	0	110.4	D77 C95 Y96 L101	T75-D77 VanDerWaalsContact C-N 3.25Å; T75-D77 PolarHBondContact O-N 3.28Å; T75-D77 PolarHBondContact OG1-N 2.94Å; T75-C95 PolarHBondContact N-SG 3.42Å; T75-C95 VanDerWaalsContact N-SG 3.4Å; T75-C95 WeakPolarHBondContact OG1-CB 3.4Å; T75-Y96 WeakPolarHBondContact CB-O 3.18Å; T75-Y96 WeakPolarHBondContact CG2-O 3.41Å; T75-Y96 PolarHBondContact OG1-O 3.26Å; T75-L101 HydrophobicContact CG2-CD2 4.11Å
76	S	98	Very high	98.6	Very high	125 Å²	125	48.1 Å²	48.1	87%	0.874	25%	0.249	S	C	*	.	S	Bend	trans	-73.7	-15.2	175	54.7	0	0	0	0	113.8	V78	S76-V78 VanDerWaalsContact C-N 3.34Å; S76-V78 PolarHBondContact O-N 3.16Å
77	D	98.2	Very high	98.5	Very high	74 Å²	74	50.5 Å²	50.5	40%	0.396	26%	0.26	S	S	.	.			trans	-84.6	77.5	-178.4	-167.6	-11.9	0	0	0	110.5	T75 Q79 C95 Y96	T75-D77 VanDerWaalsContact C-N 3.25Å; T75-D77 PolarHBondContact O-N 3.28Å; T75-D77 PolarHBondContact OG1-N 2.94Å; D77-Q79 PolarHBondContact OD1-NE2 3.4Å; D77-C95 CarbonylContact O-C 3.53Å; D77-C95 WeakPolarHBondContact O-CA 3.5Å; D77-C95 WeakPolarHBondContact O-CB 3.27Å; D77-Y96 PolarHBondContact O-N 3.44Å
78	V	98.6	Very high	98.5	Very high	50 Å²	50	53.6 Å²	53.6	30%	0.303	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.6	-177.3	172.3	0	0	0	0	111.1	S76 Y80 K93 F94	S76-V78 VanDerWaalsContact C-N 3.34Å; S76-V78 PolarHBondContact O-N 3.16Å; V78-Y80 HydrophobicContact CG1-CE2 3.87Å; V78-K93 HydrophobicContact CG1-CD 4.2Å; V78-K93 HydrophobicContact CG1-CG 3.89Å; V78-F94 WeakPolarHBondContact CA-O 3.35Å
79	Q	98.8	Very high	98.4	Very high	57 Å²	57	54.6 Å²	54.6	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	164.8	177.5	-59.6	-61.9	-36.4	0	0	110.9	D77 F94 Y96	D77-Q79 PolarHBondContact OD1-NE2 3.4Å; Q79-F94 HydrophobicContact CB-CD1 4.01Å; Q79-F94 HydrophobicContact CB-CD2 3.93Å; Q79-F94 HydrophobicContact CB-CE1 3.55Å; Q79-F94 HydrophobicContact CB-CE2 3.47Å; Q79-F94 VanDerWaalsContact CB-CE2 3.47Å; Q79-F94 HydrophobicContact CB-CG 4.18Å; Q79-F94 HydrophobicContact CB-CZ 3.26Å; Q79-F94 HydrophobicContact CG-CE2 3.98Å; Q79-F94 HydrophobicContact CG-CZ 4.09Å; Q79-F94 PolarHBondContact N-O 2.99Å; Q79-F94 PolarHBondContact O-N 3.2Å; Q79-Y96 HydrophobicContact CG-CD1 4.03Å; Q79-Y96 HydrophobicContact CG-CD2 3.76Å; Q79-Y96 HydrophobicContact CG-CE1 3.93Å; Q79-Y96 HydrophobicContact CG-CE2 3.62Å; Q79-Y96 HydrophobicContact CG-CG 3.95Å
80	Y	98.8	Very high	98.5	Very high	96 Å²	96	58.9 Å²	58.9	38%	0.376	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.7	178.5	-65	-83.5	0	0	0	111.4	M61 V78 K90 A92 K93	M61-Y80 HydrophobicContact SD-CD1 4Å; M61-Y80 HydrophobicContact SD-CE1 3.82Å; V78-Y80 HydrophobicContact CG1-CE2 3.87Å; Y80-K90 HydrophobicContact CD1-CB 4.3Å; Y80-K90 HydrophobicContact CD1-CD 3.62Å; Y80-K90 HydrophobicContact CD1-CG 4.2Å; Y80-K90 HydrophobicContact CE1-CD 3.93Å; Y80-K90 HydrophobicContact CG-CD 3.98Å; Y80-K90 HydrophobicContact CG-CG 4.46Å; Y80-A92 VanDerWaalsContact CA-O 3.32Å; Y80-A92 WeakPolarHBondContact CA-O 3.47Å; Y80-K93 HydrophobicContact CD1-CB 3.91Å; Y80-K93 HydrophobicContact CD1-CG 4.19Å; Y80-K93 HydrophobicContact CE1-CB 3.71Å; Y80-K93 HydrophobicContact CE1-CD 3.97Å; Y80-K93 HydrophobicContact CE1-CG 3.68Å
81	Q	98.8	Very high	98.5	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.014	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.2	161.3	-173.5	-174.9	3.5	0	0	108.2	K90 V91 A92 G150 T237 L240	Q81-K90 CarbonylContact O-C 3.56Å; Q81-K90 WeakPolarHBondContact O-CA 3.38Å; Q81-V91 HydrophobicContact CB-CG2 3.85Å; Q81-V91 HydrophobicContact CG-CG2 3.58Å; Q81-V91 WeakPolarHBondContact O-CG2 3.47Å; Q81-V91 PolarHBondContact O-N 2.96Å; Q81-A92 HydrophobicContact CB-CB 4.08Å; Q81-A92 PolarHBondContact N-O 3.33Å; Q81-A92 PolarHBondContact O-N 3.44Å; Q81-G150 PolarHBondContact NE2-O 2.8Å; Q81-T237 VanDerWaalsContact NE2-C 3.34Å; Q81-T237 PolarHBondContact NE2-O 2.87Å; Q81-L240 VanDerWaalsContact OE1-CB 3.31Å
82	V	98.6	Very high	98.5	Very high	38 Å²	38	49 Å²	49	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	157.1	174.3	-61.1	0	0	0	0	110.6	P84 H87 H89 K90 Y427	V82-P84 WeakPolarHBondContact O-CD 3.45Å; V82-H87 HydrophobicContact CB-CB 4.36Å; V82-H87 WeakPolarHBondContact CG1-O 3.39Å; V82-H87 HydrophobicContact CG2-CB 4.01Å; V82-H89 CarbonylContact C-O 3.48Å; V82-H89 VanDerWaalsContact CA-O 3.31Å; V82-H89 WeakPolarHBondContact CA-O 2.99Å; V82-K90 HydrophobicContact CG1-CG 4.15Å; V82-Y427 HydrophobicContact CG2-CE2 4.4Å
83	S	98.8	Very high	98.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.5	167.8	169.9	0	0	0	0	109.6	F85 N86 H87 H89 V149	S83-F85 VanDerWaalsContact C-N 3.28Å; S83-F85 PolarHBondContact O-N 3.32Å; S83-F85 WeakPolarHBondContact OG-CD1 3.34Å; S83-F85 VanDerWaalsContact OG-CE1 3.29Å; S83-F85 WeakPolarHBondContact OG-CE1 3.43Å; S83-F85 WeakPolarHBondContact OG-CE2 3.31Å; S83-F85 VanDerWaalsContact OG-CZ 3.23Å; S83-F85 WeakPolarHBondContact OG-CZ 3.47Å; S83-N86 CarbonylContact O-C 3.02Å; S83-N86 PolarHBondContact O-N 3.06Å; S83-H87 WeakPolarHBondContact O-CA 3.48Å; S83-H87 PolarHBondContact O-N 3.42Å; S83-H87 VanDerWaalsContact O-N 3.1Å; S83-H89 PolarHBondContact N-O 3.24Å; S83-V149 WeakPolarHBondContact CA-O 3.34Å; S83-V149 WeakPolarHBondContact CB-O 3.16Å; S83-V149 PolarHBondContact OG-O 3.41Å
84	P	98.8	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.3	-175.9	-27.4	36.9	0	0	0	114.7	V82 A390 V391 I392 G426 Y427	V82-P84 WeakPolarHBondContact O-CD 3.45Å; P84-A390 HydrophobicContact CB-CB 4.21Å; P84-A390 WeakPolarHBondContact O-CB 3.5Å; P84-V391 WeakPolarHBondContact CB-O 3.45Å; P84-I392 HydrophobicContact CG-CD1 3.93Å; P84-G426 CarbonylContact O-C 3.45Å; P84-G426 WeakPolarHBondContact O-CA 3.46Å; P84-Y427 PolarHBondContact O-N 3.1Å
85	F	98.6	Very high	98.5	Very high	11 Å²	11	40.7 Å²	40.7	5%	0.048	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-6.9	-178.4	54.1	-95	0	0	0	113.6	S83 M148 V149 D379 P380 A381 S389 A390 F428	S83-F85 VanDerWaalsContact C-N 3.28Å; S83-F85 PolarHBondContact O-N 3.32Å; S83-F85 WeakPolarHBondContact OG-CD1 3.34Å; S83-F85 VanDerWaalsContact OG-CE1 3.29Å; S83-F85 WeakPolarHBondContact OG-CE1 3.43Å; S83-F85 WeakPolarHBondContact OG-CE2 3.31Å; S83-F85 VanDerWaalsContact OG-CZ 3.23Å; S83-F85 WeakPolarHBondContact OG-CZ 3.47Å; F85-M148 WeakPolarHBondContact CE1-O 3.08Å; F85-V149 HydrophobicContact CZ-CG1 4.49Å; F85-D379 HydrophobicContact CD2-CB 4.2Å; F85-D379 WeakPolarHBondContact CD2-OD2 3.35Å; F85-D379 WeakPolarHBondContact CE2-OD1 3.31Å; F85-D379 WeakPolarHBondContact CE2-OD2 3.45Å; F85-P380 HydrophobicContact CD1-CG 3.88Å; F85-P380 HydrophobicContact CE1-CG 3.73Å; F85-P380 HydrophobicContact CG-CG 4.48Å; F85-P380 HydrophobicContact CZ-CG 4.2Å; F85-A381 HydrophobicContact CZ-CB 4.42Å; F85-S389 WeakPolarHBondContact CB-OG 3.18Å; F85-A390 HydrophobicContact CB-CB 4.01Å; F85-F428 HydrophobicContact CB-CE1 4.16Å; F85-F428 HydrophobicContact CB-CE2 4.44Å; F85-F428 HydrophobicContact CB-CZ 3.68Å
86	N	98.4	Very high	98.6	Very high	67 Å²	67	40.9 Å²	40.9	36%	0.358	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	76.7	173.3	179.7	6	0	0	0	108.3	S83 G88 H89 V425	S83-N86 CarbonylContact O-C 3.02Å; S83-N86 PolarHBondContact O-N 3.06Å; N86-G88 PolarHBondContact O-N 3.46Å; N86-G88 VanDerWaalsContact O-N 3.09Å; N86-H89 WeakPolarHBondContact O-CB 3.48Å; N86-H89 PolarHBondContact O-N 2.85Å; N86-V425 CarbonylContact C-O 3.53Å; N86-V425 VanDerWaalsContact CA-O 3.31Å; N86-V425 WeakPolarHBondContact CA-O 3.44Å
87	H	97.8	Very high	98.6	Very high	51 Å²	51	35 Å²	35	24%	0.236	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	-9.5	-169.6	56.5	54.6	0	0	0	113.6	V82 S83 H89 D423 S424 V425 Y427	V82-H87 HydrophobicContact CB-CB 4.36Å; V82-H87 WeakPolarHBondContact CG1-O 3.39Å; V82-H87 HydrophobicContact CG2-CB 4.01Å; S83-H87 WeakPolarHBondContact O-CA 3.48Å; S83-H87 PolarHBondContact O-N 3.42Å; S83-H87 VanDerWaalsContact O-N 3.1Å; H87-H89 VanDerWaalsContact C-N 3.26Å; H87-H89 PolarHBondContact O-N 3.48Å; H87-D423 PolarHBondContact NE2-O 3.3Å; H87-S424 PolarHBondContact CE1-O 2.85Å; H87-V425 PolarHBondContact CD2-O 2.85Å; H87-V425 PolarHBondContact N-O 2.9Å; H87-V425 VanDerWaalsContact NE2-C 3.34Å; H87-V425 PolarHBondContact NE2-O 3.28Å; H87-Y427 HydrophobicContact CB-CE2 3.93Å; H87-Y427 AromaticContact CD2-CE1 3.78Å; H87-Y427 AromaticContact CD2-CZ 3.85Å
88	G	97.8	Very high	98.6	Very high	66 Å²	66	35 Å²	35	68%	0.68	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-23.2	165.3	0	0	0	0	0	113.7	N86 K90	N86-G88 PolarHBondContact O-N 3.46Å; N86-G88 VanDerWaalsContact O-N 3.09Å; G88-K90 PolarHBondContact O-N 2.93Å
89	H	98.3	Very high	98.6	Very high	29 Å²	29	38 Å²	38	13%	0.134	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	104.5	175.3	179.9	-164.5	0	0	0	110.6	L57 R60 V82 S83 N86 H87 V91	L57-H89 PolarHBondContact O-CE1 2.98Å; R60-H89 PolarHBondContact O-NE2 2.92Å; V82-H89 CarbonylContact C-O 3.48Å; V82-H89 VanDerWaalsContact CA-O 3.31Å; V82-H89 WeakPolarHBondContact CA-O 2.99Å; S83-H89 PolarHBondContact N-O 3.24Å; N86-H89 WeakPolarHBondContact O-CB 3.48Å; N86-H89 PolarHBondContact O-N 2.85Å; H87-H89 VanDerWaalsContact C-N 3.26Å; H87-H89 PolarHBondContact O-N 3.48Å; H89-V91 PolarHBondContact O-N 2.81Å
90	K	98.6	Very high	98.6	Very high	94 Å²	94	39.6 Å²	39.6	41%	0.409	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	106.6	167.7	-66.6	173.4	175.4	-171.2	0	109.5	M61 Y80 Q81 V82 G88	M61-K90 WeakPolarHBondContact CA-O 3.44Å; M61-K90 WeakPolarHBondContact CB-O 3.42Å; M61-K90 HydrophobicContact CG-CB 4.28Å; M61-K90 VanDerWaalsContact CG-O 3.3Å; M61-K90 WeakPolarHBondContact CG-O 3.35Å; M61-K90 HydrophobicContact SD-CB 3.8Å; M61-K90 HydrophobicContact SD-CD 4.44Å; Y80-K90 HydrophobicContact CD1-CB 4.3Å; Y80-K90 HydrophobicContact CD1-CD 3.62Å; Y80-K90 HydrophobicContact CD1-CG 4.2Å; Y80-K90 HydrophobicContact CE1-CD 3.93Å; Y80-K90 HydrophobicContact CG-CD 3.98Å; Y80-K90 HydrophobicContact CG-CG 4.46Å; Q81-K90 CarbonylContact O-C 3.56Å; Q81-K90 WeakPolarHBondContact O-CA 3.38Å; V82-K90 HydrophobicContact CG1-CG 4.15Å; G88-K90 PolarHBondContact O-N 2.93Å
91	V	98.7	Very high	98.6	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-27.1	-176.2	-56.3	0	0	0	0	111.9	M61 E62 Q81 H89 V149 L240	M61-V91 WeakPolarHBondContact CA-O 3.47Å; E62-V91 PolarHBondContact N-O 2.68Å; Q81-V91 HydrophobicContact CB-CG2 3.85Å; Q81-V91 HydrophobicContact CG-CG2 3.58Å; Q81-V91 WeakPolarHBondContact O-CG2 3.47Å; Q81-V91 PolarHBondContact O-N 2.96Å; H89-V91 PolarHBondContact O-N 2.81Å; V91-V149 HydrophobicContact CG1-CG1 3.73Å; V91-L240 HydrophobicContact CB-CD2 4.1Å; V91-L240 HydrophobicContact CG2-CD2 4.25Å
92	A	98.8	Very high	98.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.8	173.7	0	0	0	0	0	112.3	E62 I64 Y80 Q81	E62-A92 CarbonylContact O-C 3.56Å; E62-A92 WeakPolarHBondContact O-CA 3.35Å; I64-A92 HydrophobicContact CD1-CB 3.62Å; I64-A92 HydrophobicContact CG1-CB 4.28Å; Y80-A92 VanDerWaalsContact CA-O 3.32Å; Y80-A92 WeakPolarHBondContact CA-O 3.47Å; Q81-A92 HydrophobicContact CB-CB 4.08Å; Q81-A92 PolarHBondContact N-O 3.33Å; Q81-A92 PolarHBondContact O-N 3.44Å
93	K	98.9	Very high	98.6	Very high	66 Å²	66	36.5 Å²	36.5	29%	0.287	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.9	163.3	176.8	-179.5	170.4	178.4	0	107	M61 E62 A63 I64 W74 V78 Y80	M61-K93 HydrophobicContact CE-CB 4.18Å; M61-K93 HydrophobicContact CG-CB 4.31Å; M61-K93 HydrophobicContact SD-CB 3.93Å; E62-K93 PolarHBondContact O-N 2.66Å; A63-K93 CarbonylContact C-O 3.05Å; A63-K93 WeakPolarHBondContact CA-O 3.39Å; I64-K93 PolarHBondContact N-O 3.2Å; W74-K93 WeakPolarHBondContact CH2-O 3.2Å; W74-K93 HydrophobicContact CZ3-CG 4.43Å; V78-K93 HydrophobicContact CG1-CD 4.2Å; V78-K93 HydrophobicContact CG1-CG 3.89Å; Y80-K93 HydrophobicContact CD1-CB 3.91Å; Y80-K93 HydrophobicContact CD1-CG 4.19Å; Y80-K93 HydrophobicContact CE1-CB 3.71Å; Y80-K93 HydrophobicContact CE1-CD 3.97Å; Y80-K93 HydrophobicContact CE1-CG 3.68Å
94	F	98.9	Very high	98.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-176.9	177.2	67.8	-81.2	0	0	0	110.1	I64 V78 Q79 Y96 D236 M239 P263	I64-F94 HydrophobicContact CB-CB 4.16Å; I64-F94 VanDerWaalsContact O-CA 3.27Å; I64-F94 WeakPolarHBondContact O-CA 3.3Å; I64-F94 WeakPolarHBondContact O-CB 3.16Å; V78-F94 WeakPolarHBondContact CA-O 3.35Å; Q79-F94 HydrophobicContact CB-CD1 4.01Å; Q79-F94 HydrophobicContact CB-CD2 3.93Å; Q79-F94 HydrophobicContact CB-CE1 3.55Å; Q79-F94 HydrophobicContact CB-CE2 3.47Å; Q79-F94 VanDerWaalsContact CB-CE2 3.47Å; Q79-F94 HydrophobicContact CB-CG 4.18Å; Q79-F94 HydrophobicContact CB-CZ 3.26Å; Q79-F94 HydrophobicContact CG-CE2 3.98Å; Q79-F94 HydrophobicContact CG-CZ 4.09Å; Q79-F94 PolarHBondContact N-O 2.99Å; Q79-F94 PolarHBondContact O-N 3.2Å; F94-Y96 AromaticContact CE2-CD1 3.89Å; F94-Y96 HydrophobicContact CE2-CD1 3.89Å; F94-Y96 AromaticContact CE2-CE1 3.62Å; F94-Y96 HydrophobicContact CE2-CE1 3.62Å; F94-Y96 HydrophobicContact CZ-CE1 4.25Å; F94-D236 HydrophobicContact CZ-CB 3.84Å; F94-M239 HydrophobicContact CB-CG 4.15Å; F94-M239 HydrophobicContact CD1-CB 4.4Å; F94-M239 HydrophobicContact CD1-CG 3.99Å; F94-M239 HydrophobicContact CD2-CE 3.82Å; F94-M239 HydrophobicContact CD2-CG 4.47Å; F94-M239 HydrophobicContact CD2-SD 4.45Å; F94-M239 HydrophobicContact CE1-CE 4.4Å; F94-M239 HydrophobicContact CE2-CE 3.69Å; F94-M239 HydrophobicContact CG-CE 4.23Å; F94-M239 HydrophobicContact CG-CG 3.97Å; F94-M239 HydrophobicContact CG-SD 4.49Å; F94-M239 HydrophobicContact CZ-CE 4Å; F94-P263 HydrophobicContact CD2-CB 3.74Å; F94-P263 HydrophobicContact CD2-CG 4.33Å; F94-P263 HydrophobicContact CE2-CB 4.05Å
95	C	98.8	Very high	98.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153	174.6	63.5	0	0	0	0	111	W74 T75 D77	W74-C95 HydrophobicContact CE3-CB 3.94Å; W74-C95 HydrophobicContact CZ3-CB 4.29Å; T75-C95 PolarHBondContact N-SG 3.42Å; T75-C95 VanDerWaalsContact N-SG 3.4Å; T75-C95 WeakPolarHBondContact OG1-CB 3.4Å; D77-C95 CarbonylContact O-C 3.53Å; D77-C95 WeakPolarHBondContact O-CA 3.5Å; D77-C95 WeakPolarHBondContact O-CB 3.27Å
96	Y	98.9	Very high	98.6	Very high	26 Å²	26	40.2 Å²	40.2	10%	0.102	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-83.3	130.4	171.6	-73.2	-28.5	0	0	0	111.5	T75 D77 Q79 F94 D98 D236 P263 A264 D265	T75-Y96 WeakPolarHBondContact CB-O 3.18Å; T75-Y96 WeakPolarHBondContact CG2-O 3.41Å; T75-Y96 PolarHBondContact OG1-O 3.26Å; D77-Y96 PolarHBondContact O-N 3.44Å; Q79-Y96 HydrophobicContact CG-CD1 4.03Å; Q79-Y96 HydrophobicContact CG-CD2 3.76Å; Q79-Y96 HydrophobicContact CG-CE1 3.93Å; Q79-Y96 HydrophobicContact CG-CE2 3.62Å; Q79-Y96 HydrophobicContact CG-CG 3.95Å; F94-Y96 AromaticContact CE2-CD1 3.89Å; F94-Y96 HydrophobicContact CE2-CD1 3.89Å; F94-Y96 AromaticContact CE2-CE1 3.62Å; F94-Y96 HydrophobicContact CE2-CE1 3.62Å; F94-Y96 HydrophobicContact CZ-CE1 4.25Å; Y96-D98 PolarHBondContact O-N 2.95Å; Y96-D236 VanDerWaalsContact OH-CG 3.27Å; Y96-D236 PolarHBondContact OH-OD2 2.84Å; Y96-P263 CarbonylContact C-O 3.53Å; Y96-P263 WeakPolarHBondContact CA-O 3.32Å; Y96-A264 VanDerWaalsContact CE1-C 3.49Å; Y96-A264 WeakPolarHBondContact CE1-O 3.27Å; Y96-D265 HydrophobicContact CD2-CB 4.13Å; Y96-D265 HydrophobicContact CE2-CB 4.18Å
97	A	98.8	Very high	98.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-63.9	123.2	167.6	0	0	0	0	0	109.5	L101 L102 V262 P263 A264 L268	A97-L101 HydrophobicContact CB-CB 4.25Å; A97-L101 HydrophobicContact CB-CD2 3.84Å; A97-L101 HydrophobicContact CB-CG 4.12Å; A97-L102 HydrophobicContact CB-CD2 3.82Å; A97-L102 HydrophobicContact CB-CG 3.94Å; A97-V262 HydrophobicContact CB-CB 4.33Å; A97-P263 WeakPolarHBondContact CB-O 3.5Å; A97-P263 PolarHBondContact N-O 2.89Å; A97-A264 HydrophobicContact CB-CB 4.43Å; A97-L268 WeakPolarHBondContact O-CD2 3.2Å
98	D	98.7	Very high	98.7	Very high	76 Å²	76	42.3 Å²	42.3	41%	0.406	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-73.9	172.7	169.8	66.6	37.1	0	0	0	111	Y96 S100 L101 L102	Y96-D98 PolarHBondContact O-N 2.95Å; D98-S100 PolarHBondContact O-N 3.46Å; D98-S100 WeakPolarHBondContact OD1-CA 3.48Å; D98-S100 VanDerWaalsContact OD1-CB 3.25Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 3.38Å; D98-L101 PolarHBondContact O-N 3.44Å; D98-L101 PolarHBondContact OD1-N 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 2.74Å
99	K	98.6	Very high	98.8	Very high	113 Å²	113	39.1 Å²	39.1	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-57.8	-33.7	179.7	-176.8	171.1	-176.7	176	0	112.8	N103 T272	K99-N103 PolarHBondContact O-N 2.94Å; K99-N103 VanDerWaalsContact O-N 3.1Å; K99-N103 PolarHBondContact O-ND2 3.32Å; K99-N103 VanDerWaalsContact O-ND2 3.16Å; K99-T272 HydrophobicContact CG-CG2 4.1Å
100	S	98.6	Very high	98.8	Very high	89 Å²	89	39.7 Å²	39.7	62%	0.622	20%	0.199	S	C	*	.	H	α-helix	trans	-69	-46	179.6	-171.9	0	0	0	0	110.8	D98 N103 K104	D98-S100 PolarHBondContact O-N 3.46Å; D98-S100 WeakPolarHBondContact OD1-CA 3.48Å; D98-S100 VanDerWaalsContact OD1-CB 3.25Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 3.38Å; S100-N103 PolarHBondContact O-N 3.23Å; S100-K104 PolarHBondContact O-N 3.25Å
101	L	98.8	Very high	98.8	Very high	13 Å²	13	39.3 Å²	39.3	7%	0.068	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-39.9	177.7	-177	56.4	0	0	0	111.8	C66 V68 V73 T75 A97 D98 K104 A105	C66-L101 HydrophobicContact CB-CD2 3.88Å; V68-L101 HydrophobicContact CG2-CD1 3.74Å; V68-L101 HydrophobicContact CG2-CG 4.39Å; V73-L101 HydrophobicContact CB-CD1 4.18Å; V73-L101 HydrophobicContact CB-CD2 4.02Å; V73-L101 HydrophobicContact CG1-CD1 3.84Å; V73-L101 HydrophobicContact CG1-CD2 3.65Å; V73-L101 HydrophobicContact CG1-CG 4.41Å; V73-L101 HydrophobicContact CG2-CD1 4.14Å; T75-L101 HydrophobicContact CG2-CD2 4.11Å; A97-L101 HydrophobicContact CB-CB 4.25Å; A97-L101 HydrophobicContact CB-CD2 3.84Å; A97-L101 HydrophobicContact CB-CG 4.12Å; D98-L101 PolarHBondContact O-N 3.44Å; D98-L101 PolarHBondContact OD1-N 3.29Å; L101-K104 PolarHBondContact O-N 3.05Å; L101-A105 WeakPolarHBondContact O-CB 3.37Å; L101-A105 PolarHBondContact O-N 3.44Å
102	L	98.9	Very high	98.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-43.6	174.9	-71	176.4	0	0	0	112	A97 D98 A105 I106 L231 V262 A264 L268 F269 T272	A97-L102 HydrophobicContact CB-CD2 3.82Å; A97-L102 HydrophobicContact CB-CG 3.94Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 2.74Å; L102-A105 WeakPolarHBondContact O-CB 3.38Å; L102-A105 PolarHBondContact O-N 3.4Å; L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 2.89Å; L102-L231 HydrophobicContact CD2-CD2 4.38Å; L102-V262 HydrophobicContact CD2-CB 3.84Å; L102-V262 HydrophobicContact CD2-CG1 4.35Å; L102-V262 HydrophobicContact CD2-CG2 3.95Å; L102-A264 HydrophobicContact CD1-CB 4.4Å; L102-L268 HydrophobicContact CD1-CD2 3.7Å; L102-F269 HydrophobicContact CD1-CD2 4.13Å; L102-F269 HydrophobicContact CD2-CD2 3.79Å; L102-F269 HydrophobicContact CD2-CE2 4.03Å; L102-T272 HydrophobicContact CB-CG2 3.72Å; L102-T272 HydrophobicContact CD1-CG2 4.13Å
103	N	98.8	Very high	98.8	Very high	60 Å²	60	41.8 Å²	41.8	32%	0.321	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-42.5	175.2	-74.9	-36.7	0	0	0	112.2	K99 S100 A105 I106 E107	K99-N103 PolarHBondContact O-N 2.94Å; K99-N103 VanDerWaalsContact O-N 3.1Å; K99-N103 PolarHBondContact O-ND2 3.32Å; K99-N103 VanDerWaalsContact O-ND2 3.16Å; S100-N103 PolarHBondContact O-N 3.23Å; N103-A105 VanDerWaalsContact C-N 3.25Å; N103-A105 PolarHBondContact O-N 2.52Å; N103-I106 WeakPolarHBondContact O-CB 3.27Å; N103-I106 PolarHBondContact O-N 2.93Å; N103-I106 VanDerWaalsContact O-N 3.12Å; N103-E107 WeakPolarHBondContact O-CG 3.34Å; N103-E107 PolarHBondContact O-N 2.7Å
104	K	98.7	Very high	98.8	Very high	84 Å²	84	45.4 Å²	45.4	37%	0.365	24%	0.243	S	C	.	.	H	α-helix	trans	-57.5	-40.1	172.8	-176.8	-178.1	172.1	-170.2	0	111.4	E71 S100 L101 E107 A108	E71-K104 IonicContact OE1-NZ 3.94Å; E71-K104 PolarHBondContact OE1-NZ 2.82Å; E71-K104 IonicContact OE2-NZ 2.75Å; E71-K104 PolarHBondContact OE2-NZ 3.32Å; S100-K104 PolarHBondContact O-N 3.25Å; L101-K104 PolarHBondContact O-N 3.05Å; K104-E107 PolarHBondContact O-N 2.59Å; K104-A108 WeakPolarHBondContact O-CB 3.16Å; K104-A108 PolarHBondContact O-N 3.18Å
105	A	98.9	Very high	98.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-39.7	176.3	0	0	0	0	0	112.6	V68 L101 L102 N103 A109 L231 Q260 V262	V68-A105 HydrophobicContact CG1-CB 4.18Å; V68-A105 HydrophobicContact CG2-CB 3.8Å; L101-A105 WeakPolarHBondContact O-CB 3.37Å; L101-A105 PolarHBondContact O-N 3.44Å; L102-A105 WeakPolarHBondContact O-CB 3.38Å; L102-A105 PolarHBondContact O-N 3.4Å; N103-A105 VanDerWaalsContact C-N 3.25Å; N103-A105 PolarHBondContact O-N 2.52Å; A105-A109 WeakPolarHBondContact O-CB 3.34Å; A105-A109 PolarHBondContact O-N 3.12Å; A105-L231 HydrophobicContact CB-CD1 4.49Å; A105-L231 HydrophobicContact CB-CD2 4.17Å; A105-L231 HydrophobicContact CB-CG 4.26Å; A105-Q260 HydrophobicContact CB-CB 4.13Å; A105-Q260 HydrophobicContact CB-CG 4.04Å; A105-Q260 PolarHBondContact O-NE2 2.58Å; A105-V262 HydrophobicContact CB-CG1 4.09Å
106	I	98.9	Very high	98.8	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-52.1	173.5	-69.1	167.4	0	0	0	110.1	L102 N103 A108 A109 L110 F203 L231	L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 2.89Å; N103-I106 WeakPolarHBondContact O-CB 3.27Å; N103-I106 PolarHBondContact O-N 2.93Å; N103-I106 VanDerWaalsContact O-N 3.12Å; I106-A108 PolarHBondContact O-N 3.31Å; I106-A109 PolarHBondContact O-N 2.87Å; I106-L110 HydrophobicContact CG2-CD1 3.64Å; I106-L110 HydrophobicContact CG2-CG 4.22Å; I106-L110 VanDerWaalsContact O-CG 3.26Å; I106-L110 WeakPolarHBondContact O-CG 3.39Å; I106-L110 PolarHBondContact O-N 3.14Å; I106-F203 HydrophobicContact CD1-CE1 3.89Å; I106-F203 HydrophobicContact CD1-CE2 4.19Å; I106-F203 HydrophobicContact CD1-CZ 3.6Å; I106-F203 HydrophobicContact CG1-CD1 4.29Å; I106-F203 HydrophobicContact CG1-CD2 4.39Å; I106-F203 HydrophobicContact CG1-CE1 3.95Å; I106-F203 HydrophobicContact CG1-CE2 4.05Å; I106-F203 HydrophobicContact CG1-CZ 3.83Å; I106-F203 HydrophobicContact CG2-CD1 3.73Å; I106-F203 HydrophobicContact CG2-CE1 3.75Å; I106-F203 HydrophobicContact CG2-CG 4.45Å; I106-F203 HydrophobicContact CG2-CZ 4.48Å; I106-L231 HydrophobicContact CD1-CD2 4.29Å; I106-L231 HydrophobicContact CG1-CD1 4Å; I106-L231 HydrophobicContact CG1-CD2 3.55Å; I106-L231 HydrophobicContact CG1-CG 4.44Å
107	E	98.8	Very high	98.8	Very high	136 Å²	136	52.9 Å²	52.9	64%	0.636	28%	0.28	S	S	*	.	H	α-helix	trans	-58.1	-47.7	-178.9	-70.8	172.9	176.7	0	0	111.9	N103 K104 A109 L110 A111	N103-E107 WeakPolarHBondContact O-CG 3.34Å; N103-E107 PolarHBondContact O-N 2.7Å; K104-E107 PolarHBondContact O-N 2.59Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-A109 PolarHBondContact O-N 3.1Å; E107-L110 PolarHBondContact O-N 3.41Å; E107-A111 PolarHBondContact O-N 2.83Å
108	A	98.8	Very high	98.7	Very high	25 Å²	25	59.1 Å²	59.1	21%	0.207	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-38.3	179.4	0	0	0	0	0	112.2	V68 K104 I106 A112 N257	V68-A108 HydrophobicContact CG1-CB 4.14Å; K104-A108 WeakPolarHBondContact O-CB 3.16Å; K104-A108 PolarHBondContact O-N 3.18Å; I106-A108 PolarHBondContact O-N 3.31Å; A108-A112 PolarHBondContact O-N 2.97Å; A108-N257 VanDerWaalsContact CB-OD1 3.29Å; A108-N257 WeakPolarHBondContact CB-OD1 3.49Å; A108-N257 WeakPolarHBondContact O-CB 3.44Å
109	A	98.9	Very high	98.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-48.5	175	0	0	0	0	0	111.5	A105 I106 E107 A111 A112 R113 V229 L231 N257 Q260	A105-A109 WeakPolarHBondContact O-CB 3.34Å; A105-A109 PolarHBondContact O-N 3.12Å; I106-A109 PolarHBondContact O-N 2.87Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-A109 PolarHBondContact O-N 3.1Å; A109-A111 VanDerWaalsContact C-N 3.28Å; A109-A111 PolarHBondContact O-N 2.95Å; A109-A112 PolarHBondContact O-N 2.87Å; A109-A112 VanDerWaalsContact O-N 3.13Å; A109-R113 PolarHBondContact O-N 3.1Å; A109-R113 VanDerWaalsContact O-N 3.11Å; A109-V229 HydrophobicContact CB-CB 3.96Å; A109-V229 HydrophobicContact CB-CG2 3.83Å; A109-V229 WeakPolarHBondContact O-CG1 3.3Å; A109-L231 HydrophobicContact CB-CD1 4.22Å; A109-N257 WeakPolarHBondContact CA-O 3.14Å; A109-Q260 HydrophobicContact CB-CG 4.21Å
110	L	98.9	Very high	98.7	Very high	40 Å²	40	56.1 Å²	56.1	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-37.8	179.4	-68.1	170.4	0	0	0	112.2	I106 E107 A112 R113 F203 H278	I106-L110 HydrophobicContact CG2-CD1 3.64Å; I106-L110 HydrophobicContact CG2-CG 4.22Å; I106-L110 VanDerWaalsContact O-CG 3.26Å; I106-L110 WeakPolarHBondContact O-CG 3.39Å; I106-L110 PolarHBondContact O-N 3.14Å; E107-L110 PolarHBondContact O-N 3.41Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 3.26Å; L110-R113 WeakPolarHBondContact O-CB 3.3Å; L110-R113 PolarHBondContact O-N 2.69Å; L110-F203 HydrophobicContact CD2-CB 4.34Å; L110-H278 HydrophobicContact CD1-CB 3.69Å; L110-H278 WeakPolarHBondContact CD1-CD2 3.25Å; L110-H278 HydrophobicContact CD2-CB 3.99Å; L110-H278 HydrophobicContact CG-CB 4.48Å
111	A	98.7	Very high	98.6	Very high	87 Å²	87	52 Å²	52	72%	0.719	27%	0.273	S	S	*	.	H	α-helix	trans	-62.9	-33.7	176.7	0	0	0	0	0	113.1	E107 A109	E107-A111 PolarHBondContact O-N 2.83Å; A109-A111 VanDerWaalsContact C-N 3.28Å; A109-A111 PolarHBondContact O-N 2.95Å
112	A	98.7	Very high	98.6	Very high	20 Å²	20	53.2 Å²	53.2	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-86	-18.1	178.9	0	0	0	0	0	113.9	A108 A109 L110 K114 E115 W116 N257 I258	A108-A112 PolarHBondContact O-N 2.97Å; A109-A112 PolarHBondContact O-N 2.87Å; A109-A112 VanDerWaalsContact O-N 3.13Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 3.26Å; A112-K114 PolarHBondContact O-N 3.29Å; A112-E115 PolarHBondContact O-N 3.28Å; A112-W116 PolarHBondContact O-N 3.5Å; A112-N257 HydrophobicContact CB-CB 3.69Å; A112-I258 HydrophobicContact CB-CD1 4.11Å
113	R	98.8	Very high	98.5	Very high	34 Å²	34	57.5 Å²	57.5	13%	0.128	31%	0.308	C	S	.	.	H	α-helix	trans	-56.2	-48	-169.3	-170.7	-163	69.6	71.3	-4	113.8	A109 L110 E115 W116 D117 G202 V229	A109-R113 PolarHBondContact O-N 3.1Å; A109-R113 VanDerWaalsContact O-N 3.11Å; L110-R113 WeakPolarHBondContact O-CB 3.3Å; L110-R113 PolarHBondContact O-N 2.69Å; R113-E115 PolarHBondContact O-N 3.41Å; R113-W116 PolarHBondContact O-N 2.94Å; R113-D117 IonicContact NH1-OD2 2.78Å; R113-D117 PolarHBondContact NH1-OD2 3.42Å; R113-D117 VanDerWaalsContact O-CB 3.3Å; R113-D117 WeakPolarHBondContact O-CB 2.97Å; R113-D117 PolarHBondContact O-N 2.79Å; R113-G202 WeakPolarHBondContact CD-O 3.49Å; R113-V229 HydrophobicContact CB-CG1 3.78Å; R113-V229 HydrophobicContact CB-CG2 3.96Å; R113-V229 HydrophobicContact CG-CG1 4.05Å; R113-V229 HydrophobicContact CG-CG2 4Å
114	K	98.6	Very high	98.5	Very high	143 Å²	143	54.8 Å²	54.8	62%	0.622	29%	0.293	S	S	*	.	H	α-helix	trans	-64.8	-41.5	-172.2	-173.5	177	-179.3	179.4	0	112.2	A112 W116 L118	A112-K114 PolarHBondContact O-N 3.29Å; K114-W116 VanDerWaalsContact C-N 3.34Å; K114-L118 HydrophobicContact CG-CD1 4.03Å; K114-L118 WeakPolarHBondContact O-CB 3.31Å; K114-L118 VanDerWaalsContact O-CG 3.25Å; K114-L118 WeakPolarHBondContact O-CG 3.38Å; K114-L118 PolarHBondContact O-N 3.17Å; K114-L118 VanDerWaalsContact O-N 3.11Å
115	E	98.6	Very high	98.5	Very high	150 Å²	150	50.9 Å²	50.9	70%	0.701	28%	0.276	S	S	*	.	H	α-helix	trans	-64.8	-41.4	176.8	-173.6	-175.5	156.8	0	0	111.2	A112 R113 K119	A112-E115 PolarHBondContact O-N 3.28Å; R113-E115 PolarHBondContact O-N 3.41Å; E115-K119 PolarHBondContact O-N 2.85Å
116	W	98.8	Very high	98.5	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-66.8	-44.2	178	-179.2	-117.2	0	0	0	113.4	A112 R113 K114 L118 K119 R124 I127 A224 N228 L254 P255 I258	A112-W116 PolarHBondContact O-N 3.5Å; R113-W116 PolarHBondContact O-N 2.94Å; K114-W116 VanDerWaalsContact C-N 3.34Å; W116-L118 VanDerWaalsContact C-N 3.33Å; W116-L118 PolarHBondContact O-N 2.95Å; W116-K119 HydrophobicContact CE3-CD 4.01Å; W116-K119 HydrophobicContact CZ3-CD 3.74Å; W116-K119 VanDerWaalsContact O-CB 3.24Å; W116-K119 WeakPolarHBondContact O-CB 3.07Å; W116-K119 PolarHBondContact O-N 2.81Å; W116-R124 HydrophobicContact CD2-CG 4.29Å; W116-R124 HydrophobicContact CE3-CG 4.25Å; W116-R124 HydrophobicContact CH2-CB 3.78Å; W116-R124 HydrophobicContact CH2-CG 3.54Å; W116-R124 HydrophobicContact CZ2-CB 3.82Å; W116-R124 VanDerWaalsContact CZ2-CD 3.41Å; W116-R124 HydrophobicContact CZ2-CG 3.58Å; W116-R124 HydrophobicContact CZ3-CG 3.89Å; W116-R124 PolarHBondContact O-NH1 2.86Å; W116-I127 HydrophobicContact CH2-CD1 3.54Å; W116-I127 HydrophobicContact CZ3-CD1 3.74Å; W116-A224 PolarHBondContact NE1-O 3.41Å; W116-N228 PolarHBondContact NE1-O 2.87Å; W116-L254 HydrophobicContact CH2-CD1 4.25Å; W116-L254 HydrophobicContact CZ2-CD1 4.25Å; W116-P255 HydrophobicContact CE3-CG 4.01Å; W116-P255 HydrophobicContact CZ3-CG 3.92Å; W116-I258 HydrophobicContact CB-CD1 3.53Å; W116-I258 HydrophobicContact CD2-CD1 3.96Å; W116-I258 HydrophobicContact CD2-CG1 4.06Å; W116-I258 HydrophobicContact CD2-CG2 4.1Å; W116-I258 HydrophobicContact CE3-CD1 4.39Å; W116-I258 HydrophobicContact CE3-CG1 4.29Å; W116-I258 HydrophobicContact CG-CD1 3.56Å; W116-I258 HydrophobicContact CG-CG1 4.16Å; W116-I258 HydrophobicContact CG-CG2 4.18Å; W116-I258 HydrophobicContact CZ2-CG2 4.19Å
117	D	98.8	Very high	98.5	Very high	31 Å²	31	56.7 Å²	56.7	17%	0.166	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-38.6	177.5	-175.7	28.5	0	0	0	112	R113 K119 R124 G199	R113-D117 IonicContact NH1-OD2 2.78Å; R113-D117 PolarHBondContact NH1-OD2 3.42Å; R113-D117 VanDerWaalsContact O-CB 3.3Å; R113-D117 WeakPolarHBondContact O-CB 2.97Å; R113-D117 PolarHBondContact O-N 2.79Å; D117-K119 VanDerWaalsContact C-N 3.3Å; D117-K119 PolarHBondContact O-N 3.44Å; D117-R124 PolarHBondContact O-NH1 3.06Å; D117-G199 PolarHBondContact OD1-N 3.02Å
118	L	98.5	Very high	98.5	Very high	131 Å²	131	50.4 Å²	50.4	69%	0.686	27%	0.274	S	S	*	.	H	α-helix	trans	-75.3	-14.5	177	-71.1	173.1	0	0	0	114.1	K114 W116	K114-L118 HydrophobicContact CG-CD1 4.03Å; K114-L118 WeakPolarHBondContact O-CB 3.31Å; K114-L118 VanDerWaalsContact O-CG 3.25Å; K114-L118 WeakPolarHBondContact O-CG 3.38Å; K114-L118 PolarHBondContact O-N 3.17Å; K114-L118 VanDerWaalsContact O-N 3.11Å; W116-L118 VanDerWaalsContact C-N 3.33Å; W116-L118 PolarHBondContact O-N 2.95Å
119	K	98.1	Very high	98.5	Very high	63 Å²	63	50.4 Å²	50.4	27%	0.274	27%	0.271	S	S	.	.	S	Bend	trans	-65.5	135.7	173.9	-167.3	-179.6	-59.4	-64.2	0	109.5	E115 W116 D117 D123 R124	E115-K119 PolarHBondContact O-N 2.85Å; W116-K119 HydrophobicContact CE3-CD 4.01Å; W116-K119 HydrophobicContact CZ3-CD 3.74Å; W116-K119 VanDerWaalsContact O-CB 3.24Å; W116-K119 WeakPolarHBondContact O-CB 3.07Å; W116-K119 PolarHBondContact O-N 2.81Å; D117-K119 VanDerWaalsContact C-N 3.3Å; D117-K119 PolarHBondContact O-N 3.44Å; K119-D123 HydrophobicContact CD-CB 3.98Å; K119-D123 HydrophobicContact CG-CB 3.82Å; K119-R124 HydrophobicContact CB-CG 4.23Å; K119-R124 HydrophobicContact CD-CG 4.17Å; K119-R124 HydrophobicContact CG-CG 4.33Å; K119-R124 PolarHBondContact O-NH1 3.42Å
120	P	97.4	Very high	98.5	Very high	63 Å²	63	55 Å²	55	41%	0.409	29%	0.291	S	S	.	.			trans	-51.5	141.7	176.9	-27.9	34.7	0	0	0	113	A122 D123 R124	P120-A122 PolarHBondContact O-N 3.36Å; P120-D123 HydrophobicContact CB-CB 4.41Å; P120-D123 WeakPolarHBondContact CD-OD2 3.31Å; P120-D123 WeakPolarHBondContact CG-OD2 3.24Å; P120-D123 PolarHBondContact O-N 3.14Å; P120-R124 PolarHBondContact O-N 3.45Å; P120-R124 VanDerWaalsContact O-N 3.13Å
121	I	98.1	Very high	98.5	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-38.8	179.2	-75.3	164.1	0	0	0	111	D123 R124 A125 A177 V178 E181	I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 2.93Å; I121-R124 PolarHBondContact O-N 3.39Å; I121-A125 VanDerWaalsContact O-CB 3.31Å; I121-A125 WeakPolarHBondContact O-CB 3.29Å; I121-A125 PolarHBondContact O-N 3.04Å; I121-A177 HydrophobicContact CG2-CB 3.75Å; I121-V178 HydrophobicContact CG2-CG2 4.18Å; I121-E181 HydrophobicContact CB-CG 4.3Å; I121-E181 HydrophobicContact CD1-CG 3.47Å; I121-E181 VanDerWaalsContact CD1-CG 3.47Å; I121-E181 HydrophobicContact CG1-CG 4.39Å
122	A	97.8	Very high	98.5	Very high	38 Å²	38	49 Å²	49	31%	0.314	25%	0.247	S	C	.	.	H	α-helix	trans	-58.5	-40.1	175.9	0	0	0	0	0	113.3	P120 A125 Q126 V178	P120-A122 PolarHBondContact O-N 3.36Å; A122-A125 WeakPolarHBondContact O-CB 3.28Å; A122-A125 PolarHBondContact O-N 3.41Å; A122-Q126 PolarHBondContact O-N 3.4Å; A122-V178 HydrophobicContact CB-CG2 4.46Å
123	D	98	Very high	98.5	Very high	89 Å²	89	52.5 Å²	52.5	48%	0.476	26%	0.262	S	S	.	.	H	α-helix	trans	-70.9	-36.9	178.5	-65.6	-10.7	0	0	0	111	K119 P120 I121 Q126	K119-D123 HydrophobicContact CD-CB 3.98Å; K119-D123 HydrophobicContact CG-CB 3.82Å; P120-D123 HydrophobicContact CB-CB 4.41Å; P120-D123 WeakPolarHBondContact CD-OD2 3.31Å; P120-D123 WeakPolarHBondContact CG-OD2 3.24Å; P120-D123 PolarHBondContact O-N 3.14Å; I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 2.93Å; D123-Q126 PolarHBondContact O-N 3.37Å
124	R	98.8	Very high	98.5	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.011	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-45.3	172.2	-62.1	-162.8	-68.1	-107.4	6.5	111.2	W116 D117 K119 P120 I121 Q126 I127 F128 L225	W116-R124 HydrophobicContact CD2-CG 4.29Å; W116-R124 HydrophobicContact CE3-CG 4.25Å; W116-R124 HydrophobicContact CH2-CB 3.78Å; W116-R124 HydrophobicContact CH2-CG 3.54Å; W116-R124 HydrophobicContact CZ2-CB 3.82Å; W116-R124 VanDerWaalsContact CZ2-CD 3.41Å; W116-R124 HydrophobicContact CZ2-CG 3.58Å; W116-R124 HydrophobicContact CZ3-CG 3.89Å; W116-R124 PolarHBondContact O-NH1 2.86Å; D117-R124 PolarHBondContact O-NH1 3.06Å; K119-R124 HydrophobicContact CB-CG 4.23Å; K119-R124 HydrophobicContact CD-CG 4.17Å; K119-R124 HydrophobicContact CG-CG 4.33Å; K119-R124 PolarHBondContact O-NH1 3.42Å; P120-R124 PolarHBondContact O-N 3.45Å; P120-R124 VanDerWaalsContact O-N 3.13Å; I121-R124 PolarHBondContact O-N 3.39Å; R124-Q126 VanDerWaalsContact C-N 3.28Å; R124-Q126 PolarHBondContact O-N 2.88Å; R124-I127 PolarHBondContact O-N 2.76Å; R124-F128 VanDerWaalsContact O-CD2 3.27Å; R124-F128 WeakPolarHBondContact O-CD2 3.29Å; R124-L225 HydrophobicContact CB-CD1 4.38Å; R124-L225 PolarHBondContact NE-O 3.18Å
125	A	98.7	Very high	98.6	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-38.3	176.7	0	0	0	0	0	112.5	I121 A122 I127 F128 L129 A174 V178 L225	I121-A125 VanDerWaalsContact O-CB 3.31Å; I121-A125 WeakPolarHBondContact O-CB 3.29Å; I121-A125 PolarHBondContact O-N 3.04Å; A122-A125 WeakPolarHBondContact O-CB 3.28Å; A122-A125 PolarHBondContact O-N 3.41Å; A125-I127 PolarHBondContact O-N 2.9Å; A125-F128 PolarHBondContact O-N 2.96Å; A125-F128 VanDerWaalsContact O-N 3.07Å; A125-L129 WeakPolarHBondContact O-CG 3.33Å; A125-L129 PolarHBondContact O-N 3.36Å; A125-A174 HydrophobicContact CB-CB 3.86Å; A125-V178 HydrophobicContact CB-CG2 3.85Å; A125-L225 HydrophobicContact CB-CD1 3.96Å
126	Q	98.6	Very high	98.6	Very high	111 Å²	111	40 Å²	40	52%	0.519	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-32.5	180	-170.9	57.5	43.3	0	0	113.3	A122 D123 R124 K130	A122-Q126 PolarHBondContact O-N 3.4Å; D123-Q126 PolarHBondContact O-N 3.37Å; R124-Q126 VanDerWaalsContact C-N 3.28Å; R124-Q126 PolarHBondContact O-N 2.88Å; Q126-K130 WeakPolarHBondContact O-CB 3.21Å; Q126-K130 PolarHBondContact O-N 3.49Å
127	I	98.8	Very high	98.5	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.087	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-45.5	176	-69.6	157.5	0	0	0	110.4	W116 R124 A125 K130 A131 A252 G253 L254	W116-I127 HydrophobicContact CH2-CD1 3.54Å; W116-I127 HydrophobicContact CZ3-CD1 3.74Å; R124-I127 PolarHBondContact O-N 2.76Å; A125-I127 PolarHBondContact O-N 2.9Å; I127-K130 PolarHBondContact O-N 3.31Å; I127-A131 WeakPolarHBondContact O-CB 3.47Å; I127-A131 PolarHBondContact O-N 2.81Å; I127-A252 HydrophobicContact CG2-CB 4.29Å; I127-A252 WeakPolarHBondContact O-CB 3.26Å; I127-G253 WeakPolarHBondContact CD1-O 3.3Å; I127-L254 HydrophobicContact CG2-CB 3.98Å; I127-L254 HydrophobicContact CG2-CD1 4.42Å
128	F	98.9	Very high	98.5	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-70.3	-37	178.9	-64.1	-83.5	0	0	0	112.1	R124 A125 A131 A132 F170 G221 A224 L225 L249	R124-F128 VanDerWaalsContact O-CD2 3.27Å; R124-F128 WeakPolarHBondContact O-CD2 3.29Å; A125-F128 PolarHBondContact O-N 2.96Å; A125-F128 VanDerWaalsContact O-N 3.07Å; F128-A131 PolarHBondContact O-N 3.24Å; F128-A132 WeakPolarHBondContact O-CB 3.21Å; F128-A132 PolarHBondContact O-N 3.3Å; F128-F170 HydrophobicContact CB-CB 4.14Å; F128-F170 HydrophobicContact CB-CG 4.31Å; F128-F170 AromaticContact CD1-CD1 3.95Å; F128-F170 HydrophobicContact CD1-CD1 3.95Å; F128-F170 HydrophobicContact CD1-CE1 4.05Å; F128-F170 HydrophobicContact CD1-CG 4.28Å; F128-F170 HydrophobicContact CD1-CZ 4.46Å; F128-G221 VanDerWaalsContact CZ-O 3.31Å; F128-G221 WeakPolarHBondContact CZ-O 3.48Å; F128-A224 HydrophobicContact CZ-CB 4.02Å; F128-L225 HydrophobicContact CD2-CB 4.06Å; F128-L225 HydrophobicContact CD2-CD1 3.8Å; F128-L225 HydrophobicContact CD2-CG 4.46Å; F128-L225 HydrophobicContact CE2-CB 3.68Å; F128-L225 HydrophobicContact CE2-CD1 4.09Å; F128-L225 HydrophobicContact CE2-CG 4.49Å; F128-L225 HydrophobicContact CZ-CB 4.12Å; F128-L249 HydrophobicContact CD1-CD2 3.87Å; F128-L249 HydrophobicContact CE1-CD2 3.85Å
129	L	98.8	Very high	98.5	Very high	24 Å²	24	41.2 Å²	41.2	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-44.9	173	-67.5	171	0	0	0	111.4	L30 A125 A131 A132 D133 R171 A174	L30-L129 HydrophobicContact CD1-CD1 4.34Å; L30-L129 HydrophobicContact CD2-CD1 3.85Å; L30-L129 HydrophobicContact CD2-CD2 3.98Å; L30-L129 HydrophobicContact CD2-CG 4.47Å; A125-L129 WeakPolarHBondContact O-CG 3.33Å; A125-L129 PolarHBondContact O-N 3.36Å; L129-A131 PolarHBondContact O-N 2.73Å; L129-A132 WeakPolarHBondContact O-CB 3.41Å; L129-A132 PolarHBondContact O-N 3.24Å; L129-D133 PolarHBondContact O-N 2.64Å; L129-R171 HydrophobicContact CD2-CB 4.46Å; L129-R171 HydrophobicContact CD2-CG 4.16Å; L129-A174 HydrophobicContact CD1-CB 4.48Å; L129-A174 HydrophobicContact CD2-CB 3.95Å; L129-A174 HydrophobicContact CG-CB 3.99Å
130	K	98.8	Very high	98.5	Very high	98 Å²	98	38.9 Å²	38.9	43%	0.426	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-41.4	175.4	-176.6	177.7	171.7	-156.6	0	112	Q126 I127 A132 D133 M134 E251 A252	Q126-K130 WeakPolarHBondContact O-CB 3.21Å; Q126-K130 PolarHBondContact O-N 3.49Å; I127-K130 PolarHBondContact O-N 3.31Å; K130-A132 VanDerWaalsContact C-N 3.31Å; K130-A132 PolarHBondContact O-N 3.12Å; K130-D133 PolarHBondContact O-N 3.49Å; K130-M134 HydrophobicContact CG-SD 4.38Å; K130-M134 WeakPolarHBondContact O-CG 3.48Å; K130-M134 PolarHBondContact O-N 2.83Å; K130-E251 PolarHBondContact NZ-O 3Å; K130-A252 HydrophobicContact CB-CB 4.21Å; K130-A252 HydrophobicContact CD-CB 4.39Å; K130-A252 WeakPolarHBondContact CD-O 3.2Å; K130-A252 HydrophobicContact CG-CB 4.19Å
131	A	98.9	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-40.3	174.6	0	0	0	0	0	111.7	I127 F128 L129 M134 L135 F170 I248 L249 A252	I127-A131 WeakPolarHBondContact O-CB 3.47Å; I127-A131 PolarHBondContact O-N 2.81Å; F128-A131 PolarHBondContact O-N 3.24Å; L129-A131 PolarHBondContact O-N 2.73Å; A131-M134 PolarHBondContact O-N 3.5Å; A131-L135 WeakPolarHBondContact O-CB 3.49Å; A131-L135 WeakPolarHBondContact O-CD1 3.42Å; A131-L135 WeakPolarHBondContact O-CG 3.46Å; A131-L135 PolarHBondContact O-N 3.32Å; A131-F170 HydrophobicContact CB-CD2 3.92Å; A131-F170 HydrophobicContact CB-CE2 3.86Å; A131-I248 HydrophobicContact CB-CG2 4.1Å; A131-L249 HydrophobicContact CB-CD2 3.99Å; A131-A252 HydrophobicContact CB-CB 3.75Å
132	A	98.9	Very high	98.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-41.3	175.7	0	0	0	0	0	111.9	F128 L129 K130 L135 S136 I167 F170 R171	F128-A132 WeakPolarHBondContact O-CB 3.21Å; F128-A132 PolarHBondContact O-N 3.3Å; L129-A132 WeakPolarHBondContact O-CB 3.41Å; L129-A132 PolarHBondContact O-N 3.24Å; K130-A132 VanDerWaalsContact C-N 3.31Å; K130-A132 PolarHBondContact O-N 3.12Å; A132-L135 PolarHBondContact O-N 3.06Å; A132-S136 VanDerWaalsContact O-CB 3.3Å; A132-S136 WeakPolarHBondContact O-CB 3.46Å; A132-S136 PolarHBondContact O-N 2.93Å; A132-I167 HydrophobicContact CB-CG2 4.16Å; A132-F170 HydrophobicContact CB-CB 3.94Å; A132-F170 HydrophobicContact CB-CD2 4.44Å; A132-R171 HydrophobicContact CB-CG 3.81Å
133	D	98.8	Very high	98.7	Very high	93 Å²	93	37.5 Å²	37.5	50%	0.497	21%	0.208	S	C	.	.	H	α-helix	trans	-70	-36.5	177.1	-67.5	-20.1	0	0	0	112.5	L129 K130 L135 S136 G137 R171	L129-D133 PolarHBondContact O-N 2.64Å; K130-D133 PolarHBondContact O-N 3.49Å; D133-L135 VanDerWaalsContact C-N 3.35Å; D133-S136 PolarHBondContact O-N 3.47Å; D133-G137 PolarHBondContact O-N 2.77Å; D133-R171 IonicContact OD1-NE 3.74Å; D133-R171 IonicContact OD1-NH2 3.77Å; D133-R171 PolarHBondContact OD1-NH2 3.37Å
134	M	98.9	Very high	98.7	Very high	30 Å²	30	33.3 Å²	33.3	15%	0.148	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-43.5	171.8	-71.2	170.4	69.7	0	0	111.7	K130 A131 G137 P138 R139 I248 E251 A252	K130-M134 HydrophobicContact CG-SD 4.38Å; K130-M134 WeakPolarHBondContact O-CG 3.48Å; K130-M134 PolarHBondContact O-N 2.83Å; A131-M134 PolarHBondContact O-N 3.5Å; M134-G137 CarbonylContact O-C 3.56Å; M134-P138 VanDerWaalsContact O-CD 3.3Å; M134-P138 WeakPolarHBondContact O-CD 3.49Å; M134-R139 HydrophobicContact CB-CG 4.22Å; M134-R139 VanDerWaalsContact O-CB 3.31Å; M134-R139 WeakPolarHBondContact O-CB 3.16Å; M134-R139 PolarHBondContact O-N 3.15Å; M134-I248 HydrophobicContact CB-CG2 4.12Å; M134-I248 HydrophobicContact CE-CG2 4.18Å; M134-I248 HydrophobicContact SD-CG2 4.36Å; M134-E251 HydrophobicContact CE-CB 3.64Å; M134-E251 VanDerWaalsContact CE-OE2 3.26Å; M134-E251 WeakPolarHBondContact CE-OE2 3.07Å; M134-A252 HydrophobicContact SD-CB 4.08Å
135	L	98.9	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-37.4	176.2	-74.2	162.7	0	0	0	112.4	A131 A132 D133 R140 I143 L166 I167 F170 I248	A131-L135 WeakPolarHBondContact O-CB 3.49Å; A131-L135 WeakPolarHBondContact O-CD1 3.42Å; A131-L135 WeakPolarHBondContact O-CG 3.46Å; A131-L135 PolarHBondContact O-N 3.32Å; A132-L135 PolarHBondContact O-N 3.06Å; D133-L135 VanDerWaalsContact C-N 3.35Å; L135-R140 VanDerWaalsContact O-CA 3.24Å; L135-R140 WeakPolarHBondContact O-CA 3.45Å; L135-R140 WeakPolarHBondContact O-CB 3.49Å; L135-R140 WeakPolarHBondContact O-CG 3.36Å; L135-R140 PolarHBondContact O-N 2.88Å; L135-I143 HydrophobicContact CD2-CB 4.17Å; L135-I143 HydrophobicContact CD2-CG1 4.23Å; L135-I143 HydrophobicContact CD2-CG2 3.86Å; L135-L166 HydrophobicContact CD1-CD2 3.64Å; L135-L166 HydrophobicContact CD1-CG 3.81Å; L135-L166 HydrophobicContact CD2-CD2 4.21Å; L135-I167 HydrophobicContact CB-CD1 3.93Å; L135-I167 HydrophobicContact CB-CG1 3.61Å; L135-I167 HydrophobicContact CD1-CG1 4.4Å; L135-F170 HydrophobicContact CD1-CD2 4.12Å; L135-F170 HydrophobicContact CD1-CE2 3.87Å; L135-I248 HydrophobicContact CD2-CD1 3.55Å; L135-I248 HydrophobicContact CG-CD1 4.2Å; L135-I248 HydrophobicContact CG-CG2 4.2Å
136	S	98.8	Very high	98.7	Very high	36 Å²	36	33.7 Å²	33.7	25%	0.252	19%	0.187	S	C	.	.	H	α-helix	trans	-66.1	-40.2	178.8	179.8	0	0	0	0	111.4	E35 A132 D133 R140	E35-S136 WeakPolarHBondContact OE1-CB 3.19Å; E35-S136 PolarHBondContact OE1-OG 2.74Å; E35-S136 PolarHBondContact OE2-OG 2.82Å; A132-S136 VanDerWaalsContact O-CB 3.3Å; A132-S136 WeakPolarHBondContact O-CB 3.46Å; A132-S136 PolarHBondContact O-N 2.93Å; D133-S136 PolarHBondContact O-N 3.47Å; S136-R140 PolarHBondContact O-NH1 2.72Å
137	G	98	Very high	98.8	Very high	43 Å²	43	28.4 Å²	28.4	44%	0.443	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-103	-179.4	0	0	0	0	0	114	D133 M134 R139 R140	D133-G137 PolarHBondContact O-N 2.77Å; M134-G137 CarbonylContact O-C 3.56Å; G137-R139 VanDerWaalsContact C-N 3.28Å; G137-R139 PolarHBondContact O-N 3.43Å; G137-R139 VanDerWaalsContact O-N 3.14Å; G137-R140 WeakPolarHBondContact O-CB 3.37Å; G137-R140 PolarHBondContact O-N 3.28Å
138	P	98.1	Very high	98.8	Very high	111 Å²	111	27.6 Å²	27.6	72%	0.721	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.2	-161.3	25.5	-35.9	0	0	0	115.3	M134	M134-P138 VanDerWaalsContact O-CD 3.3Å; M134-P138 WeakPolarHBondContact O-CD 3.49Å
139	R	98.6	Very high	98.8	Very high	36 Å²	36	27.8 Å²	27.8	14%	0.136	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-0.8	-178	-52.6	-62.5	-65.4	-87.3	-0.1	113.3	M134 G137 A141 E142 I143 I248 E251	M134-R139 HydrophobicContact CB-CG 4.22Å; M134-R139 VanDerWaalsContact O-CB 3.31Å; M134-R139 WeakPolarHBondContact O-CB 3.16Å; M134-R139 PolarHBondContact O-N 3.15Å; G137-R139 VanDerWaalsContact C-N 3.28Å; G137-R139 PolarHBondContact O-N 3.43Å; G137-R139 VanDerWaalsContact O-N 3.14Å; R139-A141 PolarHBondContact O-N 3.28Å; R139-E142 IonicContact CZ-OE2 2.65Å; R139-E142 IonicContact NE-OE2 2.71Å; R139-E142 PolarHBondContact NE-OE2 2.82Å; R139-E142 VanDerWaalsContact NH2-CD 3.31Å; R139-E142 IonicContact NH2-OE1 3.21Å; R139-E142 PolarHBondContact NH2-OE1 2.87Å; R139-E142 VanDerWaalsContact NH2-OE1 3.17Å; R139-E142 IonicContact NH2-OE2 2.7Å; R139-E142 PolarHBondContact NH2-OE2 2.95Å; R139-E142 PolarHBondContact O-N 2.86Å; R139-I143 PolarHBondContact O-N 3.31Å; R139-I248 HydrophobicContact CB-CD1 3.77Å; R139-I248 HydrophobicContact CB-CG1 4.4Å; R139-I248 HydrophobicContact CG-CD1 4.11Å; R139-I248 HydrophobicContact CG-CG1 4.18Å; R139-E251 IonicContact CZ-OE1 2.88Å; R139-E251 IonicContact NH1-OE1 2.64Å; R139-E251 PolarHBondContact NH1-OE1 3.39Å; R139-E251 IonicContact NH1-OE2 2.81Å; R139-E251 PolarHBondContact NH1-OE2 3.12Å
140	R	98.8	Very high	98.8	Very high	14 Å²	14	26.7 Å²	26.7	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-57.8	-53.1	-175.8	-158.2	-172	-164	95.4	-6.3	112.2	E35 P36 L135 S136 G137 E142 I143 L144 E159 A163	E35-R140 IonicContact OE1-CZ 3.83Å; E35-R140 IonicContact OE1-NH1 2.69Å; E35-R140 PolarHBondContact OE1-NH1 3.47Å; E35-R140 IonicContact OE1-NH2 2.71Å; P36-R140 PolarHBondContact O-NH2 3.41Å; L135-R140 VanDerWaalsContact O-CA 3.24Å; L135-R140 WeakPolarHBondContact O-CA 3.45Å; L135-R140 WeakPolarHBondContact O-CB 3.49Å; L135-R140 WeakPolarHBondContact O-CG 3.36Å; L135-R140 PolarHBondContact O-N 2.88Å; S136-R140 PolarHBondContact O-NH1 2.72Å; G137-R140 WeakPolarHBondContact O-CB 3.37Å; G137-R140 PolarHBondContact O-N 3.28Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E142 PolarHBondContact O-N 3.21Å; R140-I143 WeakPolarHBondContact O-CG2 3.15Å; R140-I143 PolarHBondContact O-N 3.02Å; R140-L144 HydrophobicContact CG-CD1 4.15Å; R140-L144 WeakPolarHBondContact O-CB 3.35Å; R140-L144 WeakPolarHBondContact O-CD1 3.47Å; R140-L144 PolarHBondContact O-N 3.36Å; R140-E159 IonicContact CZ-OE1 2.63Å; R140-E159 IonicContact CZ-OE2 2.93Å; R140-E159 IonicContact NE-OE1 3.63Å; R140-E159 PolarHBondContact NE-OE1 2.93Å; R140-E159 IonicContact NE-OE2 3.22Å; R140-E159 PolarHBondContact NE-OE2 2.76Å; R140-E159 VanDerWaalsContact NH2-CD 3.32Å; R140-E159 IonicContact NH2-OE1 2.94Å; R140-E159 PolarHBondContact NH2-OE1 2.68Å; R140-E159 IonicContact NH2-OE2 3.83Å; R140-E159 PolarHBondContact NH2-OE2 3.43Å; R140-A163 HydrophobicContact CG-CB 3.9Å; R140-A163 VanDerWaalsContact CZ-CB 3.5Å
141	A	98.8	Very high	98.8	Very high	21 Å²	21	22 Å²	22	17%	0.174	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-37.4	-178.1	0	0	0	0	0	112.7	A49 A53 R139 A145	A49-A141 HydrophobicContact CB-CB 3.91Å; A53-A141 HydrophobicContact CB-CB 4.01Å; A53-A141 WeakPolarHBondContact CB-O 3.21Å; R139-A141 PolarHBondContact O-N 3.28Å; A141-A145 VanDerWaalsContact O-CB 3.24Å; A141-A145 WeakPolarHBondContact O-CB 3.38Å; A141-A145 PolarHBondContact O-N 2.9Å
142	E	98.7	Very high	98.8	Very high	55 Å²	55	22.1 Å²	22.1	26%	0.257	13%	0.134	S	C	.	.	H	α-helix	trans	-63.5	-51.6	176.5	-177.5	-167.2	161	0	0	111.2	R139 R140 L144 A145 K146	R139-E142 IonicContact CZ-OE2 2.65Å; R139-E142 IonicContact NE-OE2 2.71Å; R139-E142 PolarHBondContact NE-OE2 2.82Å; R139-E142 VanDerWaalsContact NH2-CD 3.31Å; R139-E142 IonicContact NH2-OE1 3.21Å; R139-E142 PolarHBondContact NH2-OE1 2.87Å; R139-E142 VanDerWaalsContact NH2-OE1 3.17Å; R139-E142 IonicContact NH2-OE2 2.7Å; R139-E142 PolarHBondContact NH2-OE2 2.95Å; R139-E142 PolarHBondContact O-N 2.86Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E142 PolarHBondContact O-N 3.21Å; E142-L144 VanDerWaalsContact C-N 3.31Å; E142-L144 PolarHBondContact O-N 2.65Å; E142-A145 PolarHBondContact O-N 2.85Å; E142-K146 HydrophobicContact CG-CD 4.01Å; E142-K146 HydrophobicContact CG-CG 4.41Å; E142-K146 WeakPolarHBondContact O-CB 3.31Å; E142-K146 WeakPolarHBondContact O-CG 3.34Å; E142-K146 PolarHBondContact O-N 3.43Å; E142-K146 WeakPolarHBondContact OE1-CE 3.2Å; E142-K146 IonicContact OE1-NZ 3.83Å; E142-K146 PolarHBondContact OE1-NZ 2.9Å
143	I	98.8	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.8	-35.4	-174.9	-164.4	66.9	0	0	0	111.6	L135 R139 R140 T147 A162 T213 A241 A244 V245	L135-I143 HydrophobicContact CD2-CB 4.17Å; L135-I143 HydrophobicContact CD2-CG1 4.23Å; L135-I143 HydrophobicContact CD2-CG2 3.86Å; R139-I143 PolarHBondContact O-N 3.31Å; R140-I143 WeakPolarHBondContact O-CG2 3.15Å; R140-I143 PolarHBondContact O-N 3.02Å; I143-T147 VanDerWaalsContact O-CB 3.3Å; I143-T147 WeakPolarHBondContact O-CB 3.31Å; I143-T147 PolarHBondContact O-N 2.89Å; I143-T147 PolarHBondContact O-OG1 3.04Å; I143-A162 HydrophobicContact CG1-CB 3.96Å; I143-A162 HydrophobicContact CG2-CB 4.42Å; I143-T213 HydrophobicContact CD1-CG2 4.13Å; I143-T213 HydrophobicContact CG1-CG2 4.31Å; I143-A241 HydrophobicContact CD1-CB 4.3Å; I143-A241 WeakPolarHBondContact CD1-O 3.47Å; I143-A244 HydrophobicContact CD1-CB 3.71Å; I143-V245 HydrophobicContact CD1-CG2 3.72Å; I143-V245 HydrophobicContact CG1-CG2 4.41Å
144	L	98.9	Very high	98.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-52.7	171.4	-94.5	59.3	0	0	0	111	F40 L50 R140 E142 K146 T147 M148 A158 E159 A163	F40-L144 HydrophobicContact CE1-CD2 3.98Å; F40-L144 HydrophobicContact CE2-CD2 4.35Å; F40-L144 HydrophobicContact CZ-CD2 3.43Å; F40-L144 VanDerWaalsContact CZ-CD2 3.43Å; L50-L144 HydrophobicContact CD1-CB 3.73Å; L50-L144 HydrophobicContact CD2-CD2 4.45Å; R140-L144 HydrophobicContact CG-CD1 4.15Å; R140-L144 WeakPolarHBondContact O-CB 3.35Å; R140-L144 WeakPolarHBondContact O-CD1 3.47Å; R140-L144 PolarHBondContact O-N 3.36Å; E142-L144 VanDerWaalsContact C-N 3.31Å; E142-L144 PolarHBondContact O-N 2.65Å; L144-K146 PolarHBondContact O-N 3.3Å; L144-T147 PolarHBondContact O-N 2.89Å; L144-T147 VanDerWaalsContact O-N 3.14Å; L144-M148 VanDerWaalsContact O-CG 3.28Å; L144-M148 WeakPolarHBondContact O-CG 3.43Å; L144-M148 PolarHBondContact O-N 2.9Å; L144-A158 HydrophobicContact CB-CB 4.42Å; L144-A158 HydrophobicContact CG-CB 4.11Å; L144-E159 HydrophobicContact CD2-CB 4.19Å; L144-E159 WeakPolarHBondContact CD2-OE2 3.47Å; L144-A163 HydrophobicContact CD1-CB 3.66Å
145	A	98.9	Very high	98.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-43.8	-178.4	0	0	0	0	0	112.1	L50 A53 L54 L57 A141 E142 T147 M148 V149	L50-A145 HydrophobicContact CD1-CB 4.08Å; A53-A145 HydrophobicContact CB-CB 3.64Å; L54-A145 HydrophobicContact CD2-CB 3.88Å; L54-A145 HydrophobicContact CG-CB 4.13Å; L57-A145 VanDerWaalsContact CD1-C 3.46Å; L57-A145 HydrophobicContact CD1-CB 3.74Å; A141-A145 VanDerWaalsContact O-CB 3.24Å; A141-A145 WeakPolarHBondContact O-CB 3.38Å; A141-A145 PolarHBondContact O-N 2.9Å; E142-A145 PolarHBondContact O-N 2.85Å; A145-T147 VanDerWaalsContact C-N 3.31Å; A145-T147 PolarHBondContact O-N 3.3Å; A145-M148 PolarHBondContact O-N 2.79Å; A145-V149 WeakPolarHBondContact O-CB 3.42Å; A145-V149 WeakPolarHBondContact O-CG2 3.5Å; A145-V149 PolarHBondContact O-N 2.89Å
146	K	98.9	Very high	98.8	Very high	13 Å²	13	21.1 Å²	21.1	6%	0.057	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-38	176.4	-74.6	-175.4	165.1	-178	0	112	L57 E62 E142 L144 G150 L240 A241 A244	L57-K146 HydrophobicContact CD1-CB 4.41Å; L57-K146 HydrophobicContact CD1-CG 3.83Å; L57-K146 HydrophobicContact CD2-CG 4.27Å; E62-K146 IonicContact OE1-NZ 3.01Å; E62-K146 WeakPolarHBondContact OE2-CE 3.44Å; E62-K146 IonicContact OE2-NZ 3.48Å; E62-K146 PolarHBondContact OE2-NZ 2.91Å; E142-K146 HydrophobicContact CG-CD 4.01Å; E142-K146 HydrophobicContact CG-CG 4.41Å; E142-K146 WeakPolarHBondContact O-CB 3.31Å; E142-K146 WeakPolarHBondContact O-CG 3.34Å; E142-K146 PolarHBondContact O-N 3.43Å; E142-K146 WeakPolarHBondContact OE1-CE 3.2Å; E142-K146 IonicContact OE1-NZ 3.83Å; E142-K146 PolarHBondContact OE1-NZ 2.9Å; L144-K146 PolarHBondContact O-N 3.3Å; K146-G150 WeakPolarHBondContact O-CA 3.1Å; K146-G150 PolarHBondContact O-N 3.42Å; K146-L240 HydrophobicContact CB-CD2 4Å; K146-L240 HydrophobicContact CB-CG 3.95Å; K146-L240 HydrophobicContact CD-CD1 4.23Å; K146-L240 HydrophobicContact CD-CG 3.92Å; K146-L240 HydrophobicContact CG-CD1 4.42Å; K146-L240 HydrophobicContact CG-CD2 3.88Å; K146-L240 HydrophobicContact CG-CG 3.78Å; K146-A241 HydrophobicContact CB-CB 4.36Å; K146-A244 HydrophobicContact CD-CB 3.66Å
147	T	98.9	Very high	98.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-70.4	-42.6	175.5	-58.5	0	0	0	0	111.6	I143 L144 A145 Q151 K153 A158 A162 T213	I143-T147 VanDerWaalsContact O-CB 3.3Å; I143-T147 WeakPolarHBondContact O-CB 3.31Å; I143-T147 PolarHBondContact O-N 2.89Å; I143-T147 PolarHBondContact O-OG1 3.04Å; L144-T147 PolarHBondContact O-N 2.89Å; L144-T147 VanDerWaalsContact O-N 3.14Å; A145-T147 VanDerWaalsContact C-N 3.31Å; A145-T147 PolarHBondContact O-N 3.3Å; T147-Q151 WeakPolarHBondContact O-CA 3.2Å; T147-Q151 VanDerWaalsContact O-CB 3.28Å; T147-Q151 WeakPolarHBondContact O-CB 3.35Å; T147-Q151 PolarHBondContact O-N 3.02Å; T147-K153 HydrophobicContact CG2-CB 4.37Å; T147-K153 HydrophobicContact CG2-CD 3.68Å; T147-K153 HydrophobicContact CG2-CG 4.05Å; T147-A158 HydrophobicContact CG2-CB 4.17Å; T147-A162 HydrophobicContact CG2-CB 4.19Å; T147-A162 VanDerWaalsContact OG1-CB 3.25Å; T147-A162 WeakPolarHBondContact OG1-CB 3.36Å; T147-T213 PolarHBondContact OG1-OG1 3.09Å; T147-T213 VanDerWaalsContact OG1-OG1 3.07Å
148	M	98.9	Very high	98.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.9	-55.9	176.8	-69.8	177.2	63.4	0	0	110.9	L50 L54 F85 L144 A145 G152 K153 V155 A158 P380 F384	L50-M148 HydrophobicContact CD1-SD 4.04Å; L50-M148 HydrophobicContact CD2-SD 3.92Å; L50-M148 HydrophobicContact CG-SD 4.36Å; L54-M148 HydrophobicContact CD1-CE 4.02Å; L54-M148 HydrophobicContact CD1-SD 4.36Å; L54-M148 HydrophobicContact CD2-CB 4.19Å; L54-M148 HydrophobicContact CD2-CE 4.22Å; L54-M148 HydrophobicContact CD2-SD 4.18Å; F85-M148 WeakPolarHBondContact CE1-O 3.08Å; L144-M148 VanDerWaalsContact O-CG 3.28Å; L144-M148 WeakPolarHBondContact O-CG 3.43Å; L144-M148 PolarHBondContact O-N 2.9Å; A145-M148 PolarHBondContact O-N 2.79Å; M148-G152 VanDerWaalsContact O-CA 3.24Å; M148-G152 WeakPolarHBondContact O-CA 3.12Å; M148-G152 PolarHBondContact O-N 3.13Å; M148-K153 WeakPolarHBondContact CA-O 3.27Å; M148-K153 WeakPolarHBondContact CB-O 3.21Å; M148-K153 VanDerWaalsContact CG-O 3.29Å; M148-K153 WeakPolarHBondContact CG-O 3.45Å; M148-K153 PolarHBondContact O-N 2.72Å; M148-V155 HydrophobicContact CE-CG2 3.69Å; M148-V155 HydrophobicContact SD-CG2 4.08Å; M148-A158 HydrophobicContact CG-CB 3.57Å; M148-A158 HydrophobicContact SD-CB 4.47Å; M148-P380 HydrophobicContact CE-CB 4.39Å; M148-P380 WeakPolarHBondContact CE-O 3.41Å; M148-F384 HydrophobicContact CE-CE1 4.32Å
149	V	98.8	Very high	98.8	Very high	9 Å²	9	12.2 Å²	12.2	6%	0.055	6%	0.063	C	C	.	.	H	α-helix	trans	-71.3	-38.8	-175	-179.9	0	0	0	0	111.8	L54 L57 S83 F85 V91 A145	L54-V149 HydrophobicContact CD2-CG2 3.69Å; L57-V149 HydrophobicContact CB-CG2 4.44Å; L57-V149 HydrophobicContact CD1-CB 4.34Å; L57-V149 HydrophobicContact CD1-CG2 4.2Å; S83-V149 WeakPolarHBondContact CA-O 3.34Å; S83-V149 WeakPolarHBondContact CB-O 3.16Å; S83-V149 PolarHBondContact OG-O 3.41Å; F85-V149 HydrophobicContact CZ-CG1 4.49Å; V91-V149 HydrophobicContact CG1-CG1 3.73Å; A145-V149 WeakPolarHBondContact O-CB 3.42Å; A145-V149 WeakPolarHBondContact O-CG2 3.5Å; A145-V149 PolarHBondContact O-N 2.89Å
150	G	98.8	Very high	98.8	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-82.2	-28.4	-177.3	0	0	0	0	0	115	Q81 K146	Q81-G150 PolarHBondContact NE2-O 2.8Å; K146-G150 WeakPolarHBondContact O-CA 3.1Å; K146-G150 PolarHBondContact O-N 3.42Å
151	Q	98.9	Very high	98.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-120.3	-1.1	-174.8	-65.7	149.9	-94.9	0	0	113.8	T147 K153 F210 T213 T237 A238 A241 Y343 I392	T147-Q151 WeakPolarHBondContact O-CA 3.2Å; T147-Q151 VanDerWaalsContact O-CB 3.28Å; T147-Q151 WeakPolarHBondContact O-CB 3.35Å; T147-Q151 PolarHBondContact O-N 3.02Å; Q151-K153 HydrophobicContact CB-CG 4.49Å; Q151-F210 PolarHBondContact NE2-O 3.47Å; Q151-T213 PolarHBondContact NE2-OG1 2.88Å; Q151-T213 PolarHBondContact OE1-OG1 3.37Å; Q151-T213 VanDerWaalsContact OE1-OG1 3.08Å; Q151-T237 WeakPolarHBondContact CG-O 3.2Å; Q151-A238 HydrophobicContact CG-CB 3.84Å; Q151-A241 VanDerWaalsContact OE1-CB 3.31Å; Q151-Y343 WeakPolarHBondContact O-CE2 3.37Å; Q151-Y343 PolarHBondContact O-OH 3.12Å; Q151-I392 HydrophobicContact CB-CD1 4.18Å; Q151-I392 HydrophobicContact CG-CD1 4.42Å
152	G	98.8	Very high	98.8	Very high	1 Å²	1	11 Å²	11	1%	0.01	6%	0.057	C	C	.	.			trans	77.1	24.2	177.2	0	0	0	0	0	114.6	M148 S389	M148-G152 VanDerWaalsContact O-CA 3.24Å; M148-G152 WeakPolarHBondContact O-CA 3.12Å; M148-G152 PolarHBondContact O-N 3.13Å; G152-S389 WeakPolarHBondContact O-CB 3.26Å
153	K	98.9	Very high	98.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.			trans	-80.3	146.6	179.6	-65.6	-154.3	176.8	-173.9	0	112	T147 M148 Q151 Q157 A158 D161 N211 Y343 P380	T147-K153 HydrophobicContact CG2-CB 4.37Å; T147-K153 HydrophobicContact CG2-CD 3.68Å; T147-K153 HydrophobicContact CG2-CG 4.05Å; M148-K153 WeakPolarHBondContact CA-O 3.27Å; M148-K153 WeakPolarHBondContact CB-O 3.21Å; M148-K153 VanDerWaalsContact CG-O 3.29Å; M148-K153 WeakPolarHBondContact CG-O 3.45Å; M148-K153 PolarHBondContact O-N 2.72Å; Q151-K153 HydrophobicContact CB-CG 4.49Å; K153-Q157 HydrophobicContact CB-CB 4.1Å; K153-Q157 HydrophobicContact CD-CB 4.1Å; K153-Q157 WeakPolarHBondContact CD-O 3.41Å; K153-Q157 HydrophobicContact CG-CB 4.39Å; K153-A158 HydrophobicContact CB-CB 4.06Å; K153-D161 VanDerWaalsContact NZ-CG 3.28Å; K153-D161 IonicContact NZ-OD2 3.94Å; K153-D161 PolarHBondContact NZ-OD2 3.37Å; K153-N211 WeakPolarHBondContact CE-O 3.4Å; K153-N211 PolarHBondContact NZ-O 2.85Å; K153-Y343 HydrophobicContact CB-CE2 4.49Å; K153-Y343 HydrophobicContact CD-CD2 4.4Å; K153-Y343 HydrophobicContact CD-CE2 4.31Å; K153-Y343 HydrophobicContact CG-CD2 3.7Å; K153-Y343 HydrophobicContact CG-CE2 3.45Å; K153-Y343 VanDerWaalsContact CG-CE2 3.45Å; K153-Y343 HydrophobicContact CG-CG 4.43Å; K153-P380 WeakPolarHBondContact O-CB 3.47Å; K153-P380 WeakPolarHBondContact O-CG 3.49Å
154	T	98.9	Very high	98.9	Very high	11 Å²	11	8.7 Å²	8.7	7%	0.067	5%	0.047	C	C	.	.			trans	-76.1	165.7	163.2	57.5	0	0	0	0	110.4	I156 Q157 A158 P380 T386	T154-I156 VanDerWaalsContact C-N 3.33Å; T154-I156 PolarHBondContact O-N 3.34Å; T154-Q157 PolarHBondContact O-N 2.83Å; T154-Q157 VanDerWaalsContact OG1-CG 3.32Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.43Å; T154-A158 PolarHBondContact O-N 3.35Å; T154-P380 HydrophobicContact CG2-CB 4.09Å; T154-T386 HydrophobicContact CG2-CG2 4.06Å; T154-T386 WeakPolarHBondContact CG2-O 3.22Å
155	V	98.9	Very high	98.9	Very high	16 Å²	16	10.1 Å²	10.1	10%	0.097	5%	0.054	C	C	.	.	H	α-helix	trans	-47.7	-54.5	-179.4	177	0	0	0	0	111.7	F40 L50 M148 Q157 A158 E159 F384	F40-V155 HydrophobicContact CB-CG1 3.93Å; F40-V155 HydrophobicContact CD1-CG1 3.7Å; F40-V155 HydrophobicContact CD2-CG1 3.59Å; F40-V155 HydrophobicContact CE1-CG1 4.09Å; F40-V155 HydrophobicContact CE2-CG1 3.99Å; F40-V155 HydrophobicContact CG-CG1 3.44Å; F40-V155 VanDerWaalsContact CG-CG1 3.44Å; F40-V155 HydrophobicContact CZ-CG1 4.24Å; L50-V155 HydrophobicContact CD2-CB 4.25Å; L50-V155 HydrophobicContact CD2-CG1 3.66Å; L50-V155 HydrophobicContact CD2-CG2 3.83Å; M148-V155 HydrophobicContact CE-CG2 3.69Å; M148-V155 HydrophobicContact SD-CG2 4.08Å; V155-Q157 VanDerWaalsContact C-N 3.34Å; V155-Q157 PolarHBondContact O-N 3.14Å; V155-A158 PolarHBondContact O-N 2.67Å; V155-E159 VanDerWaalsContact O-CB 3.31Å; V155-E159 WeakPolarHBondContact O-CB 3.45Å; V155-E159 PolarHBondContact O-N 2.93Å; V155-F384 HydrophobicContact CG2-CD1 3.88Å; V155-F384 HydrophobicContact CG2-CD2 3.74Å; V155-F384 HydrophobicContact CG2-CE1 3.78Å; V155-F384 HydrophobicContact CG2-CE2 3.66Å; V155-F384 HydrophobicContact CG2-CG 3.88Å; V155-F384 HydrophobicContact CG2-CZ 3.68Å
156	I	98.8	Very high	98.9	Very high	76 Å²	76	10.1 Å²	10.1	39%	0.39	5%	0.054	S	C	.	.	H	α-helix	trans	-67.4	-33.6	-177.2	-169.3	58.9	0	0	0	112.6	V37 T154 E159 I160	V37-I156 HydrophobicContact CG1-CD1 3.64Å; T154-I156 VanDerWaalsContact C-N 3.33Å; T154-I156 PolarHBondContact O-N 3.34Å; I156-E159 PolarHBondContact O-N 3.22Å; I156-I160 HydrophobicContact CD1-CG2 4.06Å; I156-I160 HydrophobicContact CG1-CG2 4.38Å; I156-I160 WeakPolarHBondContact O-CG1 3.49Å; I156-I160 WeakPolarHBondContact O-CG2 3.22Å; I156-I160 PolarHBondContact O-N 2.86Å
157	Q	98.9	Very high	98.9	Very high	3 Å²	3	9.5 Å²	9.5	1%	0.014	5%	0.051	C	C	.	.	H	α-helix	trans	-73	-30.9	178.2	-65.7	-62.3	-50	0	0	112.2	K153 T154 V155 D161 E342	K153-Q157 HydrophobicContact CB-CB 4.1Å; K153-Q157 HydrophobicContact CD-CB 4.1Å; K153-Q157 WeakPolarHBondContact CD-O 3.41Å; K153-Q157 HydrophobicContact CG-CB 4.39Å; T154-Q157 PolarHBondContact O-N 2.83Å; T154-Q157 VanDerWaalsContact OG1-CG 3.32Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.43Å; V155-Q157 VanDerWaalsContact C-N 3.34Å; V155-Q157 PolarHBondContact O-N 3.14Å; Q157-D161 WeakPolarHBondContact O-CB 3.48Å; Q157-E342 PolarHBondContact NE2-OE2 3.25Å
158	A	98.9	Very high	98.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-75.5	-40.2	172.3	0	0	0	0	0	111.5	L144 T147 M148 K153 T154 V155 D161 A162	L144-A158 HydrophobicContact CB-CB 4.42Å; L144-A158 HydrophobicContact CG-CB 4.11Å; T147-A158 HydrophobicContact CG2-CB 4.17Å; M148-A158 HydrophobicContact CG-CB 3.57Å; M148-A158 HydrophobicContact SD-CB 4.47Å; K153-A158 HydrophobicContact CB-CB 4.06Å; T154-A158 PolarHBondContact O-N 3.35Å; V155-A158 PolarHBondContact O-N 2.67Å; A158-D161 PolarHBondContact O-N 3.48Å; A158-A162 WeakPolarHBondContact O-CB 3.2Å; A158-A162 PolarHBondContact O-N 3Å
159	E	98.9	Very high	98.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-59.9	-50.6	177.5	169.3	66.5	177.8	0	0	112.5	V37 L38 F40 R140 L144 V155 I156 D161 A163 A164	V37-E159 HydrophobicContact CG1-CG 3.85Å; L38-E159 WeakPolarHBondContact CG-OE1 3.46Å; L38-E159 PolarHBondContact N-OE1 3.3Å; F40-E159 HydrophobicContact CE2-CB 3.86Å; F40-E159 HydrophobicContact CE2-CG 3.71Å; F40-E159 HydrophobicContact CZ-CB 4.37Å; F40-E159 HydrophobicContact CZ-CG 4.41Å; R140-E159 IonicContact CZ-OE1 2.63Å; R140-E159 IonicContact CZ-OE2 2.93Å; R140-E159 IonicContact NE-OE1 3.63Å; R140-E159 PolarHBondContact NE-OE1 2.93Å; R140-E159 IonicContact NE-OE2 3.22Å; R140-E159 PolarHBondContact NE-OE2 2.76Å; R140-E159 VanDerWaalsContact NH2-CD 3.32Å; R140-E159 IonicContact NH2-OE1 2.94Å; R140-E159 PolarHBondContact NH2-OE1 2.68Å; R140-E159 IonicContact NH2-OE2 3.83Å; R140-E159 PolarHBondContact NH2-OE2 3.43Å; L144-E159 HydrophobicContact CD2-CB 4.19Å; L144-E159 WeakPolarHBondContact CD2-OE2 3.47Å; V155-E159 VanDerWaalsContact O-CB 3.31Å; V155-E159 WeakPolarHBondContact O-CB 3.45Å; V155-E159 PolarHBondContact O-N 2.93Å; I156-E159 PolarHBondContact O-N 3.22Å; E159-D161 PolarHBondContact O-N 3.27Å; E159-A163 WeakPolarHBondContact O-CB 3.42Å; E159-A163 PolarHBondContact O-N 3.04Å; E159-A164 PolarHBondContact O-N 3.28Å
160	I	98.8	Very high	98.9	Very high	45 Å²	45	10 Å²	10	23%	0.231	5%	0.053	C	C	.	.	I	π-helix	trans	-69.5	-21.6	-177.9	67.5	-176.3	0	0	0	112.9	V37 I156 E165	V37-I160 HydrophobicContact CG1-CG2 4.05Å; V37-I160 HydrophobicContact CG2-CG2 4.16Å; I156-I160 HydrophobicContact CD1-CG2 4.06Å; I156-I160 HydrophobicContact CG1-CG2 4.38Å; I156-I160 WeakPolarHBondContact O-CG1 3.49Å; I156-I160 WeakPolarHBondContact O-CG2 3.22Å; I156-I160 PolarHBondContact O-N 2.86Å; I160-E165 WeakPolarHBondContact O-CB 3.11Å; I160-E165 PolarHBondContact O-N 3.44Å
161	D	98.9	Very high	98.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-95.2	-76.2	-179.9	165.9	31.8	0	0	0	111	K153 Q157 A158 E159 A163 E165 L166 F212 T213 A214	K153-D161 VanDerWaalsContact NZ-CG 3.28Å; K153-D161 IonicContact NZ-OD2 3.94Å; K153-D161 PolarHBondContact NZ-OD2 3.37Å; Q157-D161 WeakPolarHBondContact O-CB 3.48Å; A158-D161 PolarHBondContact O-N 3.48Å; E159-D161 PolarHBondContact O-N 3.27Å; D161-A163 PolarHBondContact O-N 2.94Å; D161-E165 PolarHBondContact O-N 2.95Å; D161-L166 PolarHBondContact O-N 3.08Å; D161-L166 VanDerWaalsContact O-N 3.1Å; D161-F212 HydrophobicContact CB-CD1 3.81Å; D161-F212 HydrophobicContact CB-CE1 4.32Å; D161-F212 WeakPolarHBondContact OD1-CA 3.42Å; D161-F212 WeakPolarHBondContact OD1-CB 3.19Å; D161-F212 WeakPolarHBondContact OD2-CA 3.41Å; D161-T213 PolarHBondContact OD1-N 3.48Å; D161-T213 PolarHBondContact OD2-N 2.87Å; D161-A214 WeakPolarHBondContact O-CB 3.19Å; D161-A214 WeakPolarHBondContact OD1-CB 3.49Å; D161-A214 PolarHBondContact OD1-N 3.35Å
162	A	98.8	Very high	98.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-73.8	-17.8	-164.9	0	0	0	0	0	113.4	I143 T147 A158 T213	I143-A162 HydrophobicContact CG1-CB 3.96Å; I143-A162 HydrophobicContact CG2-CB 4.42Å; T147-A162 HydrophobicContact CG2-CB 4.19Å; T147-A162 VanDerWaalsContact OG1-CB 3.25Å; T147-A162 WeakPolarHBondContact OG1-CB 3.36Å; A158-A162 WeakPolarHBondContact O-CB 3.2Å; A158-A162 PolarHBondContact O-N 3Å; A162-T213 HydrophobicContact CB-CG2 4.03Å
163	A	98.9	Very high	98.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-101.9	-81	165.1	0	0	0	0	0	110.9	R140 L144 E159 D161 E165 L166 I167	R140-A163 HydrophobicContact CG-CB 3.9Å; R140-A163 VanDerWaalsContact CZ-CB 3.5Å; L144-A163 HydrophobicContact CD1-CB 3.66Å; E159-A163 WeakPolarHBondContact O-CB 3.42Å; E159-A163 PolarHBondContact O-N 3.04Å; D161-A163 PolarHBondContact O-N 2.94Å; A163-E165 PolarHBondContact O-N 3.47Å; A163-L166 PolarHBondContact O-N 3.01Å; A163-I167 HydrophobicContact CB-CD1 4.05Å; A163-I167 VanDerWaalsContact O-CB 3.23Å; A163-I167 WeakPolarHBondContact O-CB 3.4Å; A163-I167 WeakPolarHBondContact O-CD1 3.29Å; A163-I167 WeakPolarHBondContact O-CG1 3.36Å; A163-I167 PolarHBondContact O-N 2.93Å
164	A	98.8	Very high	98.9	Very high	7 Å²	7	12.6 Å²	12.6	6%	0.058	6%	0.063	C	C	.	.	I	π-helix	trans	-57.2	-53.2	-163.7	0	0	0	0	0	113.3	E35 V37 E159 D168	E35-A164 HydrophobicContact CB-CB 4.38Å; V37-A164 HydrophobicContact CG2-CB 4.21Å; E159-A164 PolarHBondContact O-N 3.28Å; A164-D168 VanDerWaalsContact O-CB 3.28Å; A164-D168 WeakPolarHBondContact O-CB 3.36Å; A164-D168 PolarHBondContact O-N 3.01Å
165	E	98.9	Very high	98.9	Very high	31 Å²	31	13.9 Å²	13.9	15%	0.145	7%	0.067	C	C	.	.	I	π-helix	trans	-65.6	-42	-179.3	-176.6	177.9	-163.4	0	0	112.7	I160 D161 A163 D168 F169 F212 A214 V515	I160-E165 WeakPolarHBondContact O-CB 3.11Å; I160-E165 PolarHBondContact O-N 3.44Å; D161-E165 PolarHBondContact O-N 2.95Å; A163-E165 PolarHBondContact O-N 3.47Å; E165-D168 PolarHBondContact O-N 3.38Å; E165-F169 HydrophobicContact CG-CD2 3.84Å; E165-F169 HydrophobicContact CG-CE2 3.42Å; E165-F169 VanDerWaalsContact CG-CE2 3.42Å; E165-F169 HydrophobicContact CG-CZ 4.16Å; E165-F169 WeakPolarHBondContact O-CD2 3.46Å; E165-F169 PolarHBondContact O-N 3.07Å; E165-F169 WeakPolarHBondContact OE1-CE2 3.3Å; E165-F212 VanDerWaalsContact OE2-CD1 3.27Å; E165-F212 WeakPolarHBondContact OE2-CD1 3.31Å; E165-A214 HydrophobicContact CB-CB 3.9Å; E165-A214 HydrophobicContact CG-CB 3.73Å; E165-V515 HydrophobicContact CG-CG2 4.21Å
166	L	98.9	Very high	98.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.2	-45.4	177.6	-179.5	56.4	0	0	0	112.4	L135 D161 A163 D168 F169 F170 A214 V245	L135-L166 HydrophobicContact CD1-CD2 3.64Å; L135-L166 HydrophobicContact CD1-CG 3.81Å; L135-L166 HydrophobicContact CD2-CD2 4.21Å; D161-L166 PolarHBondContact O-N 3.08Å; D161-L166 VanDerWaalsContact O-N 3.1Å; A163-L166 PolarHBondContact O-N 3.01Å; L166-D168 VanDerWaalsContact C-N 3.3Å; L166-D168 PolarHBondContact O-N 3.32Å; L166-F169 PolarHBondContact O-N 3.47Å; L166-F170 HydrophobicContact CD1-CD1 4.24Å; L166-F170 HydrophobicContact CD1-CE1 3.65Å; L166-F170 HydrophobicContact CD1-CE2 4.01Å; L166-F170 HydrophobicContact CD1-CZ 3.53Å; L166-F170 HydrophobicContact CG-CE2 4.25Å; L166-F170 HydrophobicContact CG-CZ 4.26Å; L166-F170 PolarHBondContact O-N 3.27Å; L166-F170 VanDerWaalsContact O-N 3.09Å; L166-A214 HydrophobicContact CB-CB 3.86Å; L166-V245 HydrophobicContact CD2-CG1 4.1Å; L166-V245 HydrophobicContact CD2-CG2 3.6Å
167	I	98.9	Very high	98.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.7	-45.1	176	-70.6	164.6	0	0	0	109.6	E35 A132 L135 A163 F170 R171	E35-I167 HydrophobicContact CB-CB 4.23Å; E35-I167 HydrophobicContact CB-CG2 3.82Å; E35-I167 HydrophobicContact CG-CB 4.4Å; E35-I167 HydrophobicContact CG-CD1 3.83Å; E35-I167 HydrophobicContact CG-CG2 4.08Å; A132-I167 HydrophobicContact CB-CG2 4.16Å; L135-I167 HydrophobicContact CB-CD1 3.93Å; L135-I167 HydrophobicContact CB-CG1 3.61Å; L135-I167 HydrophobicContact CD1-CG1 4.4Å; A163-I167 HydrophobicContact CB-CD1 4.05Å; A163-I167 VanDerWaalsContact O-CB 3.23Å; A163-I167 WeakPolarHBondContact O-CB 3.4Å; A163-I167 WeakPolarHBondContact O-CD1 3.29Å; A163-I167 WeakPolarHBondContact O-CG1 3.36Å; A163-I167 PolarHBondContact O-N 2.93Å; I167-F170 PolarHBondContact O-N 2.87Å; I167-R171 HydrophobicContact CG2-CG 4.48Å; I167-R171 WeakPolarHBondContact O-CB 3.24Å; I167-R171 WeakPolarHBondContact O-CG 3.27Å; I167-R171 PolarHBondContact O-N 2.88Å
168	D	98.9	Very high	98.8	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.027	5%	0.051	C	C	.	.	H	α-helix	trans	-66.2	-42.2	178.7	-73.8	-9.4	0	0	0	111.9	N34 E35 A164 E165 L166 F170 R171 F172 V515	N34-D168 WeakPolarHBondContact CA-OD1 3.45Å; N34-D168 PolarHBondContact ND2-OD2 3.44Å; E35-D168 PolarHBondContact N-OD1 3.47Å; A164-D168 VanDerWaalsContact O-CB 3.28Å; A164-D168 WeakPolarHBondContact O-CB 3.36Å; A164-D168 PolarHBondContact O-N 3.01Å; E165-D168 PolarHBondContact O-N 3.38Å; L166-D168 VanDerWaalsContact C-N 3.3Å; L166-D168 PolarHBondContact O-N 3.32Å; D168-F170 VanDerWaalsContact C-N 3.28Å; D168-F170 PolarHBondContact O-N 3.39Å; D168-R171 PolarHBondContact O-N 3.17Å; D168-F172 HydrophobicContact CB-CD2 4.02Å; D168-F172 HydrophobicContact CB-CE2 4.31Å; D168-F172 VanDerWaalsContact O-CB 3.27Å; D168-F172 WeakPolarHBondContact O-CB 3.42Å; D168-F172 VanDerWaalsContact O-CD2 3.31Å; D168-F172 WeakPolarHBondContact O-CD2 3.48Å; D168-F172 PolarHBondContact O-N 3.04Å; D168-V515 HydrophobicContact CB-CB 3.67Å; D168-V515 HydrophobicContact CB-CG1 3.91Å; D168-V515 HydrophobicContact CB-CG2 4.13Å
169	F	98.9	Very high	98.8	Very high	8 Å²	8	14.3 Å²	14.3	4%	0.035	7%	0.066	C	C	.	.	H	α-helix	trans	-55.7	-45.9	173.6	-81.9	-52.5	0	0	0	111.5	E165 L166 N173 A214 N218 V515 P532	E165-F169 HydrophobicContact CG-CD2 3.84Å; E165-F169 HydrophobicContact CG-CE2 3.42Å; E165-F169 VanDerWaalsContact CG-CE2 3.42Å; E165-F169 HydrophobicContact CG-CZ 4.16Å; E165-F169 WeakPolarHBondContact O-CD2 3.46Å; E165-F169 PolarHBondContact O-N 3.07Å; E165-F169 WeakPolarHBondContact OE1-CE2 3.3Å; L166-F169 PolarHBondContact O-N 3.47Å; F169-N173 WeakPolarHBondContact O-CB 3.34Å; F169-N173 VanDerWaalsContact O-CG 3.25Å; F169-N173 PolarHBondContact O-N 3.42Å; F169-N173 PolarHBondContact O-ND2 2.95Å; F169-A214 HydrophobicContact CD2-CB 4.14Å; F169-A214 HydrophobicContact CE2-CB 4.17Å; F169-N218 HydrophobicContact CB-CB 4.12Å; F169-N218 HydrophobicContact CD1-CB 4.12Å; F169-N218 WeakPolarHBondContact CD1-OD1 3.18Å; F169-N218 HydrophobicContact CD2-CB 3.66Å; F169-N218 HydrophobicContact CE1-CB 4.46Å; F169-N218 HydrophobicContact CE2-CB 4.02Å; F169-N218 HydrophobicContact CG-CB 3.72Å; F169-N218 HydrophobicContact CZ-CB 4.43Å; F169-V515 HydrophobicContact CD1-CG1 4.41Å; F169-V515 HydrophobicContact CD1-CG2 3.76Å; F169-V515 HydrophobicContact CD2-CG2 4.37Å; F169-V515 HydrophobicContact CE1-CG2 3.63Å; F169-V515 HydrophobicContact CE2-CG2 4.29Å; F169-V515 HydrophobicContact CG-CG2 4.12Å; F169-V515 HydrophobicContact CZ-CG2 3.91Å; F169-P532 HydrophobicContact CE1-CB 4.22Å
170	F	98.9	Very high	98.7	Very high	5 Å²	5	15.5 Å²	15.5	2%	0.022	7%	0.073	C	C	.	.	H	α-helix	trans	-65.5	-46.2	179.7	-71.9	-3.8	0	0	0	112.3	F128 A131 A132 L135 L166 I167 D168 A174 V245 L249	F128-F170 HydrophobicContact CB-CB 4.14Å; F128-F170 HydrophobicContact CB-CG 4.31Å; F128-F170 AromaticContact CD1-CD1 3.95Å; F128-F170 HydrophobicContact CD1-CD1 3.95Å; F128-F170 HydrophobicContact CD1-CE1 4.05Å; F128-F170 HydrophobicContact CD1-CG 4.28Å; F128-F170 HydrophobicContact CD1-CZ 4.46Å; A131-F170 HydrophobicContact CB-CD2 3.92Å; A131-F170 HydrophobicContact CB-CE2 3.86Å; A132-F170 HydrophobicContact CB-CB 3.94Å; A132-F170 HydrophobicContact CB-CD2 4.44Å; L135-F170 HydrophobicContact CD1-CD2 4.12Å; L135-F170 HydrophobicContact CD1-CE2 3.87Å; L166-F170 HydrophobicContact CD1-CD1 4.24Å; L166-F170 HydrophobicContact CD1-CE1 3.65Å; L166-F170 HydrophobicContact CD1-CE2 4.01Å; L166-F170 HydrophobicContact CD1-CZ 3.53Å; L166-F170 HydrophobicContact CG-CE2 4.25Å; L166-F170 HydrophobicContact CG-CZ 4.26Å; L166-F170 PolarHBondContact O-N 3.27Å; L166-F170 VanDerWaalsContact O-N 3.09Å; I167-F170 PolarHBondContact O-N 2.87Å; D168-F170 VanDerWaalsContact C-N 3.28Å; D168-F170 PolarHBondContact O-N 3.39Å; F170-A174 WeakPolarHBondContact O-CB 3.42Å; F170-A174 PolarHBondContact O-N 2.94Å; F170-A174 VanDerWaalsContact O-N 3.15Å; F170-V245 HydrophobicContact CZ-CG1 4.38Å; F170-L249 HydrophobicContact CE2-CD2 3.91Å; F170-L249 HydrophobicContact CZ-CD1 4.34Å; F170-L249 HydrophobicContact CZ-CD2 3.77Å; F170-L249 HydrophobicContact CZ-CG 4.28Å
171	R	98.9	Very high	98.6	Very high	34 Å²	34	16.2 Å²	16.2	13%	0.128	8%	0.075	C	C	.	.	H	α-helix	trans	-68.8	-48.8	-179.8	-71.4	-176.7	-179.3	148.6	1.7	112.8	V32 E35 L129 A132 D133 I167 D168 A174 K175	V32-R171 HydrophobicContact CB-CB 4.08Å; V32-R171 HydrophobicContact CG1-CB 4Å; V32-R171 HydrophobicContact CG2-CB 4.47Å; E35-R171 IonicContact OE2-CZ 2.97Å; E35-R171 IonicContact OE2-NH1 2.89Å; E35-R171 PolarHBondContact OE2-NH1 2.87Å; E35-R171 IonicContact OE2-NH2 2.93Å; L129-R171 HydrophobicContact CD2-CB 4.46Å; L129-R171 HydrophobicContact CD2-CG 4.16Å; A132-R171 HydrophobicContact CB-CG 3.81Å; D133-R171 IonicContact OD1-NE 3.74Å; D133-R171 IonicContact OD1-NH2 3.77Å; D133-R171 PolarHBondContact OD1-NH2 3.37Å; I167-R171 HydrophobicContact CG2-CG 4.48Å; I167-R171 WeakPolarHBondContact O-CB 3.24Å; I167-R171 WeakPolarHBondContact O-CG 3.27Å; I167-R171 PolarHBondContact O-N 2.88Å; D168-R171 PolarHBondContact O-N 3.17Å; R171-A174 PolarHBondContact O-N 3.48Å; R171-K175 PolarHBondContact O-N 2.98Å
172	F	98.9	Very high	98.5	Very high	21 Å²	21	18 Å²	18	9%	0.092	9%	0.093	C	C	.	.	H	α-helix	trans	-72.2	-41.3	-177.2	-78.6	-96.7	0	0	0	112.1	V32 D168 A174 K175 Y176 V515	V32-F172 HydrophobicContact CG2-CD1 3.97Å; V32-F172 HydrophobicContact CG2-CD2 4.04Å; V32-F172 HydrophobicContact CG2-CE1 4.06Å; V32-F172 HydrophobicContact CG2-CE2 4.13Å; V32-F172 HydrophobicContact CG2-CG 3.98Å; V32-F172 HydrophobicContact CG2-CZ 4.15Å; D168-F172 HydrophobicContact CB-CD2 4.02Å; D168-F172 HydrophobicContact CB-CE2 4.31Å; D168-F172 VanDerWaalsContact O-CB 3.27Å; D168-F172 WeakPolarHBondContact O-CB 3.42Å; D168-F172 VanDerWaalsContact O-CD2 3.31Å; D168-F172 WeakPolarHBondContact O-CD2 3.48Å; D168-F172 PolarHBondContact O-N 3.04Å; F172-A174 VanDerWaalsContact C-N 3.32Å; F172-A174 PolarHBondContact O-N 3.01Å; F172-K175 WeakPolarHBondContact O-CB 3.33Å; F172-K175 PolarHBondContact O-N 3.24Å; F172-Y176 HydrophobicContact CB-CD2 4.42Å; F172-Y176 HydrophobicContact CB-CE2 3.81Å; F172-Y176 HydrophobicContact CD1-CE1 4.4Å; F172-Y176 AromaticContact CD1-CZ 3.89Å; F172-Y176 WeakPolarHBondContact CD1-OH 3.29Å; F172-Y176 WeakPolarHBondContact O-CD2 3.39Å; F172-Y176 PolarHBondContact O-N 2.67Å; F172-V515 HydrophobicContact CB-CG1 3.78Å; F172-V515 HydrophobicContact CD2-CG1 3.95Å; F172-V515 HydrophobicContact CG-CG1 3.91Å
173	N	98.9	Very high	98.4	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-38.4	174.8	-71.3	-36.6	0	0	0	111.4	F169 K175 Y176 A177 N218 L225 I538	F169-N173 WeakPolarHBondContact O-CB 3.34Å; F169-N173 VanDerWaalsContact O-CG 3.25Å; F169-N173 PolarHBondContact O-N 3.42Å; F169-N173 PolarHBondContact O-ND2 2.95Å; N173-K175 VanDerWaalsContact C-N 3.34Å; N173-K175 PolarHBondContact O-N 3Å; N173-Y176 PolarHBondContact O-N 2.69Å; N173-A177 VanDerWaalsContact O-CB 3.3Å; N173-A177 WeakPolarHBondContact O-CB 3.32Å; N173-A177 PolarHBondContact O-N 3.26Å; N173-N218 PolarHBondContact ND2-OD1 2.83Å; N173-L225 VanDerWaalsContact C-CD2 3.43Å; N173-L225 HydrophobicContact CB-CD2 3.73Å; N173-L225 WeakPolarHBondContact O-CD2 3.25Å; N173-I538 HydrophobicContact CB-CG2 4.31Å
174	A	98.8	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.9	-46.4	172.5	0	0	0	0	0	111.4	L30 A125 L129 F170 R171 F172 A177 V178	L30-A174 HydrophobicContact CD2-CB 4.21Å; A125-A174 HydrophobicContact CB-CB 3.86Å; L129-A174 HydrophobicContact CD1-CB 4.48Å; L129-A174 HydrophobicContact CD2-CB 3.95Å; L129-A174 HydrophobicContact CG-CB 3.99Å; F170-A174 WeakPolarHBondContact O-CB 3.42Å; F170-A174 PolarHBondContact O-N 2.94Å; F170-A174 VanDerWaalsContact O-N 3.15Å; R171-A174 PolarHBondContact O-N 3.48Å; F172-A174 VanDerWaalsContact C-N 3.32Å; F172-A174 PolarHBondContact O-N 3.01Å; A174-A177 PolarHBondContact O-N 2.91Å; A174-V178 WeakPolarHBondContact O-CB 3.28Å; A174-V178 VanDerWaalsContact O-CG2 3.31Å; A174-V178 WeakPolarHBondContact O-CG2 3.25Å; A174-V178 PolarHBondContact O-N 3.16Å
175	K	98.7	Very high	98.2	Very high	37 Å²	37	30.1 Å²	30.1	16%	0.161	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-52.3	173.4	168.5	177.2	173.4	60.2	0	111.7	L30 V32 R171 F172 N173 A177 V178 E179	L30-K175 HydrophobicContact CB-CB 4.16Å; L30-K175 HydrophobicContact CB-CG 4.41Å; L30-K175 HydrophobicContact CD2-CB 4.12Å; L30-K175 HydrophobicContact CG-CB 4.49Å; L30-K175 WeakPolarHBondContact O-CD 3.3Å; L30-K175 PolarHBondContact O-NZ 2.83Å; V32-K175 HydrophobicContact CG1-CB 4.38Å; V32-K175 HydrophobicContact CG2-CB 4.13Å; V32-K175 HydrophobicContact CG2-CD 3.7Å; R171-K175 PolarHBondContact O-N 2.98Å; F172-K175 WeakPolarHBondContact O-CB 3.33Å; F172-K175 PolarHBondContact O-N 3.24Å; N173-K175 VanDerWaalsContact C-N 3.34Å; N173-K175 PolarHBondContact O-N 3Å; K175-A177 VanDerWaalsContact C-N 3.3Å; K175-A177 PolarHBondContact O-N 2.75Å; K175-V178 PolarHBondContact O-N 2.77Å; K175-E179 WeakPolarHBondContact CE-OE2 3.48Å; K175-E179 IonicContact NZ-OE1 3.97Å; K175-E179 PolarHBondContact NZ-OE1 3.19Å; K175-E179 IonicContact NZ-OE2 3.2Å; K175-E179 PolarHBondContact NZ-OE2 3.49Å; K175-E179 WeakPolarHBondContact O-CB 3.49Å; K175-E179 WeakPolarHBondContact O-CG 3.33Å; K175-E179 PolarHBondContact O-N 2.99Å
176	Y	98.7	Very high	98.2	Very high	30 Å²	30	35.3 Å²	35.3	12%	0.118	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-39.9	-177.7	-58.4	-35.9	0	0	0	111.7	F172 N173 L180 G516 G533 P535 I538	F172-Y176 HydrophobicContact CB-CD2 4.42Å; F172-Y176 HydrophobicContact CB-CE2 3.81Å; F172-Y176 HydrophobicContact CD1-CE1 4.4Å; F172-Y176 AromaticContact CD1-CZ 3.89Å; F172-Y176 WeakPolarHBondContact CD1-OH 3.29Å; F172-Y176 WeakPolarHBondContact O-CD2 3.39Å; F172-Y176 PolarHBondContact O-N 2.67Å; N173-Y176 PolarHBondContact O-N 2.69Å; Y176-L180 WeakPolarHBondContact O-CB 3.37Å; Y176-L180 PolarHBondContact O-N 3.4Å; Y176-G516 WeakPolarHBondContact OH-CA 3.48Å; Y176-G533 PolarHBondContact OH-O 2.93Å; Y176-P535 HydrophobicContact CD1-CB 3.86Å; Y176-P535 HydrophobicContact CE1-CB 3.94Å; Y176-P535 HydrophobicContact CG-CB 4.2Å; Y176-I538 WeakPolarHBondContact O-CD1 3.31Å
177	A	98.6	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69	-44.8	179.9	0	0	0	0	0	112.2	I121 N173 A174 K175 L180 L225 M226 I538	I121-A177 HydrophobicContact CG2-CB 3.75Å; N173-A177 VanDerWaalsContact O-CB 3.3Å; N173-A177 WeakPolarHBondContact O-CB 3.32Å; N173-A177 PolarHBondContact O-N 3.26Å; A174-A177 PolarHBondContact O-N 2.91Å; K175-A177 VanDerWaalsContact C-N 3.3Å; K175-A177 PolarHBondContact O-N 2.75Å; A177-L180 WeakPolarHBondContact O-CB 3.49Å; A177-L180 PolarHBondContact O-N 3.17Å; A177-L225 HydrophobicContact CB-CD1 4.37Å; A177-L225 HydrophobicContact CB-CD2 3.83Å; A177-L225 HydrophobicContact CB-CG 4Å; A177-M226 HydrophobicContact CB-SD 3.65Å; A177-I538 HydrophobicContact CB-CD1 4.13Å
178	V	98.3	Very high	98	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-43.3	177.7	170.6	0	0	0	0	111	S28 I121 A122 A125 A174 K175 L180 E181	S28-V178 WeakPolarHBondContact O-CG1 3.37Å; I121-V178 HydrophobicContact CG2-CG2 4.18Å; A122-V178 HydrophobicContact CB-CG2 4.46Å; A125-V178 HydrophobicContact CB-CG2 3.85Å; A174-V178 WeakPolarHBondContact O-CB 3.28Å; A174-V178 VanDerWaalsContact O-CG2 3.31Å; A174-V178 WeakPolarHBondContact O-CG2 3.25Å; A174-V178 PolarHBondContact O-N 3.16Å; K175-V178 PolarHBondContact O-N 2.77Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.28Å; V178-E181 PolarHBondContact O-N 2.91Å
179	E	98	Very high	97.9	Very high	67 Å²	67	48 Å²	48	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-72.8	-26.4	179.7	-69.9	-179.4	170.7	0	0	113	L30 K175 E181 G182	L30-E179 PolarHBondContact N-OE1 3.33Å; K175-E179 WeakPolarHBondContact CE-OE2 3.48Å; K175-E179 IonicContact NZ-OE1 3.97Å; K175-E179 PolarHBondContact NZ-OE1 3.19Å; K175-E179 IonicContact NZ-OE2 3.2Å; K175-E179 PolarHBondContact NZ-OE2 3.49Å; K175-E179 WeakPolarHBondContact O-CB 3.49Å; K175-E179 WeakPolarHBondContact O-CG 3.33Å; K175-E179 PolarHBondContact O-N 2.99Å; E179-E181 PolarHBondContact O-N 2.98Å; E179-G182 PolarHBondContact O-N 3.45Å
180	L	97.9	Very high	97.7	Very high	26 Å²	26	50.1 Å²	50.1	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-35	174.2	177.6	63.3	0	0	0	112	Y176 A177 V178 G182 Q183 Y197 M226 I538 L539 T542	Y176-L180 WeakPolarHBondContact O-CB 3.37Å; Y176-L180 PolarHBondContact O-N 3.4Å; A177-L180 WeakPolarHBondContact O-CB 3.49Å; A177-L180 PolarHBondContact O-N 3.17Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.28Å; L180-G182 PolarHBondContact O-N 3.4Å; L180-G182 VanDerWaalsContact O-N 3.13Å; L180-Q183 WeakPolarHBondContact O-CB 3.44Å; L180-Q183 PolarHBondContact O-N 2.66Å; L180-Y197 HydrophobicContact CD1-CD1 4.31Å; L180-Y197 HydrophobicContact CD1-CE1 3.65Å; L180-Y197 HydrophobicContact CD1-CE2 4.31Å; L180-Y197 HydrophobicContact CD2-CD1 3.71Å; L180-Y197 HydrophobicContact CD2-CE1 3.92Å; L180-Y197 HydrophobicContact CD2-CG 4.05Å; L180-Y197 HydrophobicContact CG-CD1 3.88Å; L180-Y197 HydrophobicContact CG-CD2 4.1Å; L180-Y197 HydrophobicContact CG-CE1 3.69Å; L180-Y197 HydrophobicContact CG-CE2 3.94Å; L180-Y197 HydrophobicContact CG-CG 4.07Å; L180-Y197 WeakPolarHBondContact O-CE2 3.44Å; L180-M226 HydrophobicContact CD2-CE 3.92Å; L180-I538 HydrophobicContact CB-CD1 4.34Å; L180-I538 HydrophobicContact CD2-CD1 3.98Å; L180-L539 HydrophobicContact CD1-CD2 3.73Å; L180-L539 HydrophobicContact CD2-CD2 3.76Å; L180-L539 HydrophobicContact CG-CD2 4.42Å; L180-T542 HydrophobicContact CD2-CG2 4.42Å
181	E	96.9	Very high	97.6	Very high	59 Å²	59	50.5 Å²	50.5	28%	0.276	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.3	175.9	-64.2	-164.2	108.7	0	0	112.3	T27 I121 V178 E179 Q183 Q184	T27-E181 HydrophobicContact CG2-CB 3.55Å; I121-E181 HydrophobicContact CB-CG 4.3Å; I121-E181 HydrophobicContact CD1-CG 3.47Å; I121-E181 VanDerWaalsContact CD1-CG 3.47Å; I121-E181 HydrophobicContact CG1-CG 4.39Å; V178-E181 PolarHBondContact O-N 2.91Å; E179-E181 PolarHBondContact O-N 2.98Å; E181-Q183 VanDerWaalsContact C-N 3.28Å; E181-Q183 PolarHBondContact O-N 2.84Å; E181-Q184 PolarHBondContact O-NE2 3.33Å
182	G	95.8	Very high	97.5	Very high	38 Å²	38	51.3 Å²	51.3	39%	0.392	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.4	177.1	0	0	0	0	0	114.3	E179 L180 Q184	E179-G182 PolarHBondContact O-N 3.45Å; L180-G182 PolarHBondContact O-N 3.4Å; L180-G182 VanDerWaalsContact O-N 3.13Å; G182-Q184 PolarHBondContact O-N 3.14Å
183	Q	96.6	Very high	97.4	Very high	135 Å²	135	52.1 Å²	52.1	63%	0.631	29%	0.294	S	S	*	.			trans	-79.3	89.2	176	-177.5	63.4	7	0	0	110.1	L180 E181 Y197	L180-Q183 WeakPolarHBondContact O-CB 3.44Å; L180-Q183 PolarHBondContact O-N 2.66Å; E181-Q183 VanDerWaalsContact C-N 3.28Å; E181-Q183 PolarHBondContact O-N 2.84Å; Q183-Y197 PolarHBondContact O-OH 3.28Å
184	Q	96.9	Very high	97.3	Very high	79 Å²	79	52.3 Å²	52.3	37%	0.369	30%	0.296	S	S	.	.			trans	-114.8	148.2	-174.2	-67.7	-64.8	-36	0	0	112.7	E181 G182 S194 T195	E181-Q184 PolarHBondContact O-NE2 3.33Å; G182-Q184 PolarHBondContact O-N 3.14Å; Q184-S194 VanDerWaalsContact OE1-CA 3.25Å; Q184-T195 PolarHBondContact NE2-O 3.01Å; Q184-T195 VanDerWaalsContact NE2-O 3.08Å
185	P	97.4	Very high	97.3	Very high	47 Å²	47	53.2 Å²	53.2	31%	0.305	30%	0.301	S	S	.	.			trans	-75	159.8	179.2	31.6	-35.6	0	0	0	112.5	N193 T195	P185-N193 HydrophobicContact CB-CB 4.18Å; P185-N193 HydrophobicContact CG-CB 3.61Å; P185-T195 WeakPolarHBondContact CD-OG1 3.49Å
186	I	97.7	Very high	97.3	Very high	141 Å²	141	53.6 Å²	53.6	72%	0.723	31%	0.307	S	S	*	.			trans	-63.3	136.5	174.2	-62.2	170.2	0	0	0	109.9	V188 N193	I186-V188 HydrophobicContact CG2-CG2 3.99Å; I186-N193 PolarHBondContact O-ND2 3.39Å
187	S	96.6	Very high	97.2	Very high	56 Å²	56	53.3 Å²	53.3	39%	0.392	31%	0.305	S	S	.	.			trans	-105.6	132.1	168.9	-66.7	0	0	0	0	109.9	T192 N193	S187-T192 WeakPolarHBondContact OG-CA 3.3Å; S187-N193 PolarHBondContact OG-N 2.74Å; S187-N193 PolarHBondContact OG-O 3.09Å
188	V	97.4	Very high	97.2	Very high	97 Å²	97	57.7 Å²	57.7	59%	0.588	32%	0.322	S	S	*	.			trans	-124.8	128.5	177.5	-179.5	0	0	0	0	108.2	I186 S191	I186-V188 HydrophobicContact CG2-CG2 3.99Å; V188-S191 CarbonylContact C-O 3.56Å; V188-S191 PolarHBondContact N-O 3.08Å; V188-S191 PolarHBondContact O-N 2.88Å; V188-S191 VanDerWaalsContact O-O 3.06Å
189	P	96.6	Very high	97.3	Very high	117 Å²	117	57.5 Å²	57.5	76%	0.76	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	135.8	176.6	-27.7	35.3	0	0	0	112.1
190	P	95.5	Very high	97.3	Very high	54 Å²	54	54.7 Å²	54.7	35%	0.351	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.7	22.2	10.3	37.6	-34.9	0	0	0	115	T550 H551 K552	P190-T550 HydrophobicContact CG-CG2 4.05Å; P190-H551 PolarHBondContact O-CD2 2.85Å; P190-H551 VanDerWaalsContact O-CD2 3.24Å; P190-H551 PolarHBondContact O-N 3.24Å; P190-K552 HydrophobicContact CB-CB 4Å; P190-K552 HydrophobicContact CB-CD 3.82Å; P190-K552 HydrophobicContact CB-CG 3.77Å; P190-K552 HydrophobicContact CG-CB 4.41Å
191	S	96.9	Very high	97.4	Very high	13 Å²	13	60.1 Å²	60.1	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.7	-174.2	-55.2	0	0	0	0	114.1	V188 K548 E549 T550	V188-S191 CarbonylContact C-O 3.56Å; V188-S191 PolarHBondContact N-O 3.08Å; V188-S191 PolarHBondContact O-N 2.88Å; V188-S191 VanDerWaalsContact O-O 3.06Å; S191-K548 WeakPolarHBondContact OG-CE 3.39Å; S191-E549 CarbonylContact C-O 3.59Å; S191-E549 WeakPolarHBondContact CA-O 3.46Å; S191-T550 PolarHBondContact OG-OG1 3.28Å
192	T	97.1	Very high	97.5	Very high	50 Å²	50	57.5 Å²	57.5	31%	0.307	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130	165.4	-59.7	0	0	0	0	109.1	S187 K548 E549 H551	S187-T192 WeakPolarHBondContact OG-CA 3.3Å; T192-K548 WeakPolarHBondContact O-CA 3.47Å; T192-E549 PolarHBondContact N-O 3.4Å; T192-E549 PolarHBondContact O-N 2.88Å; T192-H551 PolarHBondContact OG1-NE2 2.97Å
193	N	97.1	Very high	97.6	Very high	38 Å²	38	55.7 Å²	55.7	20%	0.203	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.4	174.6	-61.3	-49.5	0	0	0	109.6	P185 I186 S187 I547 K548	P185-N193 HydrophobicContact CB-CB 4.18Å; P185-N193 HydrophobicContact CG-CB 3.61Å; I186-N193 PolarHBondContact O-ND2 3.39Å; S187-N193 PolarHBondContact OG-N 2.74Å; S187-N193 PolarHBondContact OG-O 3.09Å; N193-I547 CarbonylContact C-O 3.53Å; N193-I547 WeakPolarHBondContact CA-O 3.18Å; N193-K548 WeakPolarHBondContact OD1-CB 3.42Å; N193-K548 WeakPolarHBondContact OD1-CG 3.37Å
194	S	96.7	Very high	97.7	Very high	8 Å²	8	49.2 Å²	49.2	6%	0.056	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	148.2	174.2	-56.1	0	0	0	0	111	W24 Q184 V546 I547	W24-S194 PolarHBondContact NE1-OG 3.42Å; Q184-S194 VanDerWaalsContact OE1-CA 3.25Å; S194-V546 CarbonylContact O-C 3.57Å; S194-V546 WeakPolarHBondContact O-CA 3.34Å; S194-I547 PolarHBondContact N-O 2.86Å; S194-I547 PolarHBondContact O-N 3.22Å
195	T	98	Very high	97.8	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.9	177.3	-60.7	0	0	0	0	110.1	Q184 P185 Y197 P544 Q545	Q184-T195 PolarHBondContact NE2-O 3.01Å; Q184-T195 VanDerWaalsContact NE2-O 3.08Å; P185-T195 WeakPolarHBondContact CD-OG1 3.49Å; T195-Y197 HydrophobicContact CG2-CD1 4.43Å; T195-Y197 HydrophobicContact CG2-CD2 4.35Å; T195-Y197 HydrophobicContact CG2-CE1 4.07Å; T195-Y197 HydrophobicContact CG2-CE2 3.96Å; T195-P544 HydrophobicContact CG2-CB 3.83Å; T195-Q545 CarbonylContact C-O 3.56Å; T195-Q545 WeakPolarHBondContact CA-O 3.44Å
196	V	98	Very high	97.9	Very high	45 Å²	45	43.2 Å²	43.2	27%	0.273	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	119	169.7	-178.9	0	0	0	0	108.5	W24 R198 P544 Q545 I547	W24-V196 HydrophobicContact CH2-CG2 3.57Å; W24-V196 HydrophobicContact CZ3-CG2 3.74Å; V196-R198 VanDerWaalsContact C-N 3.34Å; V196-R198 HydrophobicContact CG1-CG 4.03Å; V196-R198 PolarHBondContact O-N 2.89Å; V196-R198 VanDerWaalsContact O-N 3.09Å; V196-P544 CarbonylContact O-C 3.51Å; V196-P544 WeakPolarHBondContact O-CA 3.34Å; V196-Q545 HydrophobicContact CB-CB 4.42Å; V196-Q545 PolarHBondContact N-O 2.93Å; V196-Q545 PolarHBondContact O-N 2.93Å; V196-I547 HydrophobicContact CG2-CD1 3.79Å
197	Y	98.4	Very high	98	Very high	23 Å²	23	37.3 Å²	37.3	9%	0.09	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	75.3	177.5	-68	-79.7	0	0	0	110.9	L180 Q183 T195 T542 P544	L180-Y197 HydrophobicContact CD1-CD1 4.31Å; L180-Y197 HydrophobicContact CD1-CE1 3.65Å; L180-Y197 HydrophobicContact CD1-CE2 4.31Å; L180-Y197 HydrophobicContact CD2-CD1 3.71Å; L180-Y197 HydrophobicContact CD2-CE1 3.92Å; L180-Y197 HydrophobicContact CD2-CG 4.05Å; L180-Y197 HydrophobicContact CG-CD1 3.88Å; L180-Y197 HydrophobicContact CG-CD2 4.1Å; L180-Y197 HydrophobicContact CG-CE1 3.69Å; L180-Y197 HydrophobicContact CG-CE2 3.94Å; L180-Y197 HydrophobicContact CG-CG 4.07Å; L180-Y197 WeakPolarHBondContact O-CE2 3.44Å; Q183-Y197 PolarHBondContact O-OH 3.28Å; T195-Y197 HydrophobicContact CG2-CD1 4.43Å; T195-Y197 HydrophobicContact CG2-CD2 4.35Å; T195-Y197 HydrophobicContact CG2-CE1 4.07Å; T195-Y197 HydrophobicContact CG2-CE2 3.96Å; Y197-T542 WeakPolarHBondContact CA-OG1 3.09Å; Y197-T542 HydrophobicContact CD1-CG2 4.1Å; Y197-P544 HydrophobicContact CD1-CB 4.47Å; Y197-P544 HydrophobicContact CD1-CG 4.03Å; Y197-P544 HydrophobicContact CE1-CG 4.13Å
198	R	98.8	Very high	98.1	Very high	92 Å²	92	35 Å²	35	35%	0.347	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	146.9	178.8	-54.2	175.7	-66.5	-179.6	-5.8	110.9	V196 T542 S543 P544 Q545	V196-R198 VanDerWaalsContact C-N 3.34Å; V196-R198 HydrophobicContact CG1-CG 4.03Å; V196-R198 PolarHBondContact O-N 2.89Å; V196-R198 VanDerWaalsContact O-N 3.09Å; R198-T542 CarbonylContact O-C 3.57Å; R198-T542 WeakPolarHBondContact O-CA 3.48Å; R198-T542 WeakPolarHBondContact O-CB 3.46Å; R198-T542 PolarHBondContact O-OG1 2.8Å; R198-S543 WeakPolarHBondContact CB-O 3.19Å; R198-S543 PolarHBondContact NE-O 3.46Å; R198-S543 PolarHBondContact NH2-O 2.78Å; R198-S543 PolarHBondContact NH2-OG 2.9Å; R198-S543 PolarHBondContact O-N 2.86Å; R198-P544 PolarHBondContact NH2-O 2.89Å; R198-Q545 HydrophobicContact CG-CB 4.37Å
199	G	98.8	Very high	98.1	Very high	4 Å²	4	31.2 Å²	31.2	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	168.3	157.8	0	0	0	0	0	111.2	D117 M226	D117-G199 PolarHBondContact OD1-N 3.02Å; G199-M226 WeakPolarHBondContact CA-O 3.38Å; G199-M226 PolarHBondContact N-O 3.4Å
200	L	98.9	Very high	98.2	Very high	8 Å²	8	27 Å²	27	4%	0.042	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-74.1	141.6	173.2	-50.4	-179.6	0	0	0	109.5	G202 V204 N228 C280 R310 W541	L200-G202 PolarHBondContact O-N 3.1Å; L200-V204 HydrophobicContact CD1-CG2 4.48Å; L200-N228 WeakPolarHBondContact CA-OD1 3.43Å; L200-N228 WeakPolarHBondContact CB-OD1 3.27Å; L200-N228 VanDerWaalsContact CG-OD1 3.3Å; L200-N228 WeakPolarHBondContact CG-OD1 3.44Å; L200-N228 PolarHBondContact N-OD1 3.4Å; L200-C280 HydrophobicContact CB-CB 3.98Å; L200-C280 WeakPolarHBondContact CB-SG 3.45Å; L200-R310 VanDerWaalsContact CD2-CZ 3.48Å; L200-W541 HydrophobicContact CD1-CE3 4.13Å
201	E	98.9	Very high	98.4	Very high	139 Å²	139	24.4 Å²	24.4	65%	0.65	13%	0.125	S	C	*	.	S	Bend	trans	-79.1	114	174	-179.2	168.8	-134.4	0	0	109.7	C280	E201-C280 WeakPolarHBondContact O-CB 3.44Å
202	G	98.8	Very high	98.5	Very high	4 Å²	4	25 Å²	25	4%	0.041	13%	0.126	C	C	.	.	S	Bend	trans	129.7	-155.7	-173.2	0	0	0	0	0	111.7	R113 L200 H278 C280	R113-G202 WeakPolarHBondContact CD-O 3.49Å; L200-G202 PolarHBondContact O-N 3.1Å; G202-H278 CarbonylContact C-O 3.54Å; G202-H278 WeakPolarHBondContact CA-O 3.33Å; G202-C280 VanDerWaalsContact C-SG 3.58Å
203	F	99	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.5	171.2	76.2	-82.7	0	0	0	111.8	I106 L110 A205 V229 L231 V273 H278 L279 C280	I106-F203 HydrophobicContact CD1-CE1 3.89Å; I106-F203 HydrophobicContact CD1-CE2 4.19Å; I106-F203 HydrophobicContact CD1-CZ 3.6Å; I106-F203 HydrophobicContact CG1-CD1 4.29Å; I106-F203 HydrophobicContact CG1-CD2 4.39Å; I106-F203 HydrophobicContact CG1-CE1 3.95Å; I106-F203 HydrophobicContact CG1-CE2 4.05Å; I106-F203 HydrophobicContact CG1-CZ 3.83Å; I106-F203 HydrophobicContact CG2-CD1 3.73Å; I106-F203 HydrophobicContact CG2-CE1 3.75Å; I106-F203 HydrophobicContact CG2-CG 4.45Å; I106-F203 HydrophobicContact CG2-CZ 4.48Å; L110-F203 HydrophobicContact CD2-CB 4.34Å; F203-A205 HydrophobicContact CE2-CB 4.46Å; F203-V229 HydrophobicContact CB-CG2 4.03Å; F203-L231 HydrophobicContact CD2-CD1 3.99Å; F203-V273 HydrophobicContact CE2-CB 3.99Å; F203-V273 HydrophobicContact CE2-CG1 3.95Å; F203-V273 HydrophobicContact CZ-CB 4Å; F203-V273 HydrophobicContact CZ-CG1 4.27Å; F203-H278 HydrophobicContact CD1-CB 4.12Å; F203-H278 WeakPolarHBondContact CD1-O 3.13Å; F203-H278 HydrophobicContact CE1-CB 4.34Å; F203-H278 PolarHBondContact N-O 2.88Å; F203-L279 HydrophobicContact CE1-CB 4.22Å; F203-L279 HydrophobicContact CE2-CD1 3.97Å; F203-L279 HydrophobicContact CZ-CB 4.21Å; F203-L279 HydrophobicContact CZ-CD1 3.95Å; F203-C280 PolarHBondContact N-SG 3.09Å; F203-C280 PolarHBondContact O-N 3.28Å; F203-C280 PolarHBondContact O-SG 3.01Å
204	V	99	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.4	174.6	176.9	0	0	0	0	109.8	L200 P223 N228 V229 V230 L231 G281 N283 W541	L200-V204 HydrophobicContact CD1-CG2 4.48Å; V204-P223 HydrophobicContact CB-CB 4.31Å; V204-P223 HydrophobicContact CG1-CB 4.15Å; V204-P223 HydrophobicContact CG1-CG 4.08Å; V204-P223 HydrophobicContact CG2-CB 4.21Å; V204-N228 HydrophobicContact CG2-CB 4.04Å; V204-V229 PolarHBondContact N-O 2.88Å; V204-V230 HydrophobicContact CB-CG2 4.37Å; V204-V230 CarbonylContact O-C 3.6Å; V204-V230 VanDerWaalsContact O-CA 3.25Å; V204-V230 WeakPolarHBondContact O-CA 3.17Å; V204-L231 PolarHBondContact O-N 3.21Å; V204-G281 CarbonylContact C-O 3.48Å; V204-G281 WeakPolarHBondContact CA-O 3.36Å; V204-N283 HydrophobicContact CG1-CB 4.27Å; V204-W541 HydrophobicContact CG1-CZ3 4.25Å; V204-W541 HydrophobicContact CG2-CE3 4.39Å
205	A	99	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113	169.9	0	0	0	0	0	109.7	F203 F269 V273 L279 G281 I282 N283	F203-A205 HydrophobicContact CE2-CB 4.46Å; A205-F269 HydrophobicContact CB-CE1 4Å; A205-F269 HydrophobicContact CB-CZ 4.14Å; A205-V273 HydrophobicContact CB-CB 4.16Å; A205-V273 HydrophobicContact CB-CG1 4.16Å; A205-V273 HydrophobicContact CB-CG2 3.99Å; A205-L279 HydrophobicContact CB-CD1 4.3Å; A205-G281 PolarHBondContact N-O 3.42Å; A205-I282 HydrophobicContact CB-CG1 4.39Å; A205-I282 CarbonylContact O-C 3.56Å; A205-I282 WeakPolarHBondContact O-CA 3.38Å; A205-N283 PolarHBondContact O-N 3.4Å
206	A	99	Very high	98.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.1	174.7	0	0	0	0	0	110	L219 A220 V230 L231 W232 K233 N283	A206-L219 HydrophobicContact CB-CB 4.36Å; A206-A220 HydrophobicContact CB-CB 4.05Å; A206-V230 HydrophobicContact CB-CG1 3.58Å; A206-L231 PolarHBondContact N-O 3.25Å; A206-W232 HydrophobicContact CB-CB 4.45Å; A206-W232 WeakPolarHBondContact O-CA 3.45Å; A206-K233 PolarHBondContact O-N 3.07Å; A206-N283 WeakPolarHBondContact CA-O 3.3Å
207	I	98.9	Very high	98.8	Very high	17 Å²	17	18.6 Å²	18.6	9%	0.087	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	106	-178	-57.3	169.5	0	0	0	108	L219 K233 F269 I282 N283 F284 T285 L294	I207-L219 WeakPolarHBondContact O-CD1 3.38Å; I207-K233 HydrophobicContact CG2-CD 4.47Å; I207-F269 HydrophobicContact CD1-CD1 3.93Å; I207-F269 HydrophobicContact CD1-CE1 3.77Å; I207-F269 HydrophobicContact CG1-CD1 3.99Å; I207-F269 HydrophobicContact CG1-CE1 3.52Å; I207-F269 HydrophobicContact CG1-CZ 4.49Å; I207-I282 HydrophobicContact CD1-CG2 4.29Å; I207-N283 PolarHBondContact N-O 2.96Å; I207-F284 HydrophobicContact CB-CD2 3.85Å; I207-F284 HydrophobicContact CD1-CD2 4.21Å; I207-F284 HydrophobicContact CG2-CD2 3.81Å; I207-F284 HydrophobicContact CG2-CE2 3.99Å; I207-T285 PolarHBondContact O-N 2.85Å; I207-T285 VanDerWaalsContact O-N 3.12Å; I207-L294 HydrophobicContact CD1-CD1 3.73Å; I207-L294 HydrophobicContact CD1-CD2 4.48Å
208	S	98.8	Very high	98.8	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.042	8%	0.084	C	C	.	.			trans	-104.9	151.2	-170.6	66.6	0	0	0	0	113.7	G216 W232 K233 P234 S235	S208-G216 VanDerWaalsContact CB-CA 3.44Å; S208-W232 PolarHBondContact OG-NE1 3.42Å; S208-K233 PolarHBondContact N-O 3.39Å; S208-P234 WeakPolarHBondContact OG-CA 3.46Å; S208-S235 PolarHBondContact O-N 3.05Å
209	P	98.7	Very high	98.8	Very high	18 Å²	18	13.5 Å²	13.5	12%	0.117	7%	0.069	C	C	.	.			trans	-84.7	176	-179.4	39.2	-37.1	0	0	0	110.5	N211 I215 S235 T285	P209-N211 VanDerWaalsContact CB-OD1 3.25Å; P209-N211 WeakPolarHBondContact CB-OD1 3.03Å; P209-N211 WeakPolarHBondContact CG-OD1 3.38Å; P209-I215 HydrophobicContact CG-CB 4.28Å; P209-I215 HydrophobicContact CG-CD1 4.34Å; P209-I215 HydrophobicContact CG-CG2 3.85Å; P209-S235 VanDerWaalsContact C-CB 3.46Å; P209-S235 WeakPolarHBondContact O-CB 3.27Å; P209-T285 HydrophobicContact CB-CG2 4.31Å; P209-T285 HydrophobicContact CG-CG2 3.76Å
210	F	98.8	Very high	98.8	Very high	28 Å²	28	13.3 Å²	13.3	12%	0.123	7%	0.067	C	C	.	.	S	Bend	trans	-82.6	-25.5	178.5	74.8	-94.6	0	0	0	114	Q151 F212 S235 T237 Y343 Q346 I392 F449	Q151-F210 PolarHBondContact NE2-O 3.47Å; F210-F212 PolarHBondContact O-N 3.35Å; F210-S235 WeakPolarHBondContact CB-OG 3.46Å; F210-T237 WeakPolarHBondContact CB-OG1 3.27Å; F210-Y343 HydrophobicContact CE2-CE1 4.26Å; F210-Q346 HydrophobicContact CE2-CB 4.1Å; F210-Q346 HydrophobicContact CZ-CB 4.07Å; F210-Q346 HydrophobicContact CZ-CG 4.37Å; F210-I392 HydrophobicContact CB-CD1 4.49Å; F210-I392 HydrophobicContact CB-CG1 4.18Å; F210-I392 HydrophobicContact CD1-CG2 4.24Å; F210-I392 HydrophobicContact CD2-CB 3.68Å; F210-I392 HydrophobicContact CD2-CD1 3.62Å; F210-I392 HydrophobicContact CD2-CG1 3.38Å; F210-I392 HydrophobicContact CD2-CG2 4.01Å; F210-I392 HydrophobicContact CE1-CG2 3.89Å; F210-I392 HydrophobicContact CE2-CB 3.47Å; F210-I392 VanDerWaalsContact CE2-CB 3.47Å; F210-I392 HydrophobicContact CE2-CD1 4.18Å; F210-I392 HydrophobicContact CE2-CG1 3.77Å; F210-I392 HydrophobicContact CE2-CG2 3.64Å; F210-I392 HydrophobicContact CG-CB 4.33Å; F210-I392 HydrophobicContact CG-CD1 4.33Å; F210-I392 HydrophobicContact CG-CG1 3.81Å; F210-I392 HydrophobicContact CG-CG2 4.28Å; F210-I392 HydrophobicContact CZ-CB 3.94Å; F210-I392 HydrophobicContact CZ-CG1 4.46Å; F210-I392 HydrophobicContact CZ-CG2 3.53Å; F210-F449 HydrophobicContact CE1-CD1 4.01Å; F210-F449 AromaticContact CE1-CE1 3.63Å; F210-F449 HydrophobicContact CE1-CE1 3.63Å; F210-F449 HydrophobicContact CE2-CE1 4.27Å; F210-F449 AromaticContact CZ-CD1 3.68Å; F210-F449 HydrophobicContact CZ-CD1 3.68Å; F210-F449 AromaticContact CZ-CE1 3.34Å; F210-F449 HydrophobicContact CZ-CE1 3.34Å
211	N	98.4	Very high	98.8	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.066	C	C	.	.	S	Bend	trans	-81.5	-17.2	-157.5	61.7	-33.2	0	0	0	114	K153 P209 Y343 Q346 F449	K153-N211 WeakPolarHBondContact CE-O 3.4Å; K153-N211 PolarHBondContact NZ-O 2.85Å; P209-N211 VanDerWaalsContact CB-OD1 3.25Å; P209-N211 WeakPolarHBondContact CB-OD1 3.03Å; P209-N211 WeakPolarHBondContact CG-OD1 3.38Å; N211-Y343 HydrophobicContact CB-CE1 3.88Å; N211-Y343 WeakPolarHBondContact O-CE1 3.37Å; N211-Q346 VanDerWaalsContact CB-O 3.28Å; N211-Q346 WeakPolarHBondContact CB-O 3.44Å; N211-F449 HydrophobicContact CB-CE1 4.15Å; N211-F449 HydrophobicContact CB-CZ 4.21Å; N211-F449 WeakPolarHBondContact ND2-CZ 3.17Å
212	F	98.8	Very high	98.9	Very high	25 Å²	25	6.6 Å²	6.6	11%	0.11	4%	0.036	C	C	.	.			trans	-140	121.2	174.9	-72.4	-95.7	0	0	0	110.4	D161 E165 F210 A214 I215 K347	D161-F212 HydrophobicContact CB-CD1 3.81Å; D161-F212 HydrophobicContact CB-CE1 4.32Å; D161-F212 WeakPolarHBondContact OD1-CA 3.42Å; D161-F212 WeakPolarHBondContact OD1-CB 3.19Å; D161-F212 WeakPolarHBondContact OD2-CA 3.41Å; E165-F212 VanDerWaalsContact OE2-CD1 3.27Å; E165-F212 WeakPolarHBondContact OE2-CD1 3.31Å; F210-F212 PolarHBondContact O-N 3.35Å; F212-A214 PolarHBondContact O-N 3.43Å; F212-I215 HydrophobicContact CB-CB 4.02Å; F212-I215 HydrophobicContact CB-CD1 3.69Å; F212-I215 HydrophobicContact CB-CG1 3.59Å; F212-I215 HydrophobicContact CD2-CD1 3.88Å; F212-I215 HydrophobicContact CG-CD1 3.99Å; F212-I215 HydrophobicContact CG-CG1 4.27Å; F212-I215 PolarHBondContact O-N 2.89Å; F212-K347 HydrophobicContact CE2-CB 4.37Å; F212-K347 HydrophobicContact CE2-CG 4.16Å; F212-K347 HydrophobicContact CZ-CD 4.25Å; F212-K347 HydrophobicContact CZ-CG 4.03Å
213	T	98.9	Very high	98.9	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.012	3%	0.034	C	C	.	.	H	α-helix	trans	-61.3	-37.2	171.3	-61.9	0	0	0	0	110.4	I143 T147 Q151 D161 A162 I215 G216 G217 A241 V245	I143-T213 HydrophobicContact CD1-CG2 4.13Å; I143-T213 HydrophobicContact CG1-CG2 4.31Å; T147-T213 PolarHBondContact OG1-OG1 3.09Å; T147-T213 VanDerWaalsContact OG1-OG1 3.07Å; Q151-T213 PolarHBondContact NE2-OG1 2.88Å; Q151-T213 PolarHBondContact OE1-OG1 3.37Å; Q151-T213 VanDerWaalsContact OE1-OG1 3.08Å; D161-T213 PolarHBondContact OD1-N 3.48Å; D161-T213 PolarHBondContact OD2-N 2.87Å; A162-T213 HydrophobicContact CB-CG2 4.03Å; T213-I215 VanDerWaalsContact C-N 3.35Å; T213-I215 PolarHBondContact O-N 3.44Å; T213-G216 PolarHBondContact O-N 3.37Å; T213-G217 PolarHBondContact O-N 2.95Å; T213-A241 HydrophobicContact CG2-CB 3.88Å; T213-V245 HydrophobicContact CG2-CG2 3.68Å
214	A	98.9	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.2	-40.9	177.4	0	0	0	0	0	113.2	D161 E165 L166 F169 F212 G216 G217 N218	D161-A214 WeakPolarHBondContact O-CB 3.19Å; D161-A214 WeakPolarHBondContact OD1-CB 3.49Å; D161-A214 PolarHBondContact OD1-N 3.35Å; E165-A214 HydrophobicContact CB-CB 3.9Å; E165-A214 HydrophobicContact CG-CB 3.73Å; L166-A214 HydrophobicContact CB-CB 3.86Å; F169-A214 HydrophobicContact CD2-CB 4.14Å; F169-A214 HydrophobicContact CE2-CB 4.17Å; F212-A214 PolarHBondContact O-N 3.43Å; A214-G216 VanDerWaalsContact C-N 3.34Å; A214-G216 PolarHBondContact O-N 3.28Å; A214-G217 PolarHBondContact O-N 3.42Å; A214-N218 WeakPolarHBondContact O-CB 3.48Å; A214-N218 PolarHBondContact O-N 3.36Å
215	I	98.8	Very high	98.9	Very high	22 Å²	22	6.5 Å²	6.5	11%	0.113	4%	0.035	C	C	.	.	H	α-helix	trans	-62.7	-42.9	179.3	-66.3	178.2	0	0	0	110	P209 F212 T213 G217 N218 L219 T285	P209-I215 HydrophobicContact CG-CB 4.28Å; P209-I215 HydrophobicContact CG-CD1 4.34Å; P209-I215 HydrophobicContact CG-CG2 3.85Å; F212-I215 HydrophobicContact CB-CB 4.02Å; F212-I215 HydrophobicContact CB-CD1 3.69Å; F212-I215 HydrophobicContact CB-CG1 3.59Å; F212-I215 HydrophobicContact CD2-CD1 3.88Å; F212-I215 HydrophobicContact CG-CD1 3.99Å; F212-I215 HydrophobicContact CG-CG1 4.27Å; F212-I215 PolarHBondContact O-N 2.89Å; T213-I215 VanDerWaalsContact C-N 3.35Å; T213-I215 PolarHBondContact O-N 3.44Å; I215-G217 PolarHBondContact O-N 2.87Å; I215-N218 PolarHBondContact O-N 3.1Å; I215-L219 HydrophobicContact CG2-CD1 3.62Å; I215-L219 HydrophobicContact CG2-CG 3.81Å; I215-L219 WeakPolarHBondContact O-CB 3.32Å; I215-L219 VanDerWaalsContact O-CG 3.22Å; I215-L219 WeakPolarHBondContact O-CG 3.39Å; I215-L219 PolarHBondContact O-N 2.66Å; I215-T285 HydrophobicContact CD1-CG2 4.5Å; I215-T285 HydrophobicContact CG2-CG2 4.34Å
216	G	98.8	Very high	98.8	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.01	4%	0.035	C	C	.	.	H	α-helix	trans	-58.3	-49.4	175.2	0	0	0	0	0	112.9	S208 T213 A214 N218 L219 A220	S208-G216 VanDerWaalsContact CB-CA 3.44Å; T213-G216 PolarHBondContact O-N 3.37Å; A214-G216 VanDerWaalsContact C-N 3.34Å; A214-G216 PolarHBondContact O-N 3.28Å; G216-N218 VanDerWaalsContact C-N 3.33Å; G216-N218 PolarHBondContact O-N 3.14Å; G216-L219 PolarHBondContact O-N 2.99Å; G216-A220 PolarHBondContact O-N 3.48Å
217	G	98.8	Very high	98.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.6	-40.2	175.8	0	0	0	0	0	113.3	T213 A214 I215 G221	T213-G217 PolarHBondContact O-N 2.95Å; A214-G217 PolarHBondContact O-N 3.42Å; I215-G217 PolarHBondContact O-N 2.87Å; G217-G221 VanDerWaalsContact O-CA 3.24Å; G217-G221 WeakPolarHBondContact O-CA 3.34Å; G217-G221 PolarHBondContact O-N 3.06Å
218	N	98.9	Very high	98.8	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.021	3%	0.03	C	C	.	.	H	α-helix	trans	-74	-41.5	179.1	-178.3	55.7	0	0	0	113.1	F169 N173 A214 I215 G216 A220 G221 A222	F169-N218 HydrophobicContact CB-CB 4.12Å; F169-N218 HydrophobicContact CD1-CB 4.12Å; F169-N218 WeakPolarHBondContact CD1-OD1 3.18Å; F169-N218 HydrophobicContact CD2-CB 3.66Å; F169-N218 HydrophobicContact CE1-CB 4.46Å; F169-N218 HydrophobicContact CE2-CB 4.02Å; F169-N218 HydrophobicContact CG-CB 3.72Å; F169-N218 HydrophobicContact CZ-CB 4.43Å; N173-N218 PolarHBondContact ND2-OD1 2.83Å; A214-N218 WeakPolarHBondContact O-CB 3.48Å; A214-N218 PolarHBondContact O-N 3.36Å; I215-N218 PolarHBondContact O-N 3.1Å; G216-N218 VanDerWaalsContact C-N 3.33Å; G216-N218 PolarHBondContact O-N 3.14Å; N218-A220 VanDerWaalsContact C-N 3.3Å; N218-A220 PolarHBondContact O-N 3.25Å; N218-G221 PolarHBondContact O-N 3.39Å; N218-A222 VanDerWaalsContact O-CB 3.26Å; N218-A222 WeakPolarHBondContact O-CB 3.4Å; N218-A222 PolarHBondContact O-N 2.92Å
219	L	98.9	Very high	98.8	Very high	5 Å²	5	5.4 Å²	5.4	3%	0.026	3%	0.028	C	C	.	.	H	α-helix	trans	-64	-36.4	-178.3	-70.9	178.3	0	0	0	112	A206 I207 I215 G216 P223 N283	A206-L219 HydrophobicContact CB-CB 4.36Å; I207-L219 WeakPolarHBondContact O-CD1 3.38Å; I215-L219 HydrophobicContact CG2-CD1 3.62Å; I215-L219 HydrophobicContact CG2-CG 3.81Å; I215-L219 WeakPolarHBondContact O-CB 3.32Å; I215-L219 VanDerWaalsContact O-CG 3.22Å; I215-L219 WeakPolarHBondContact O-CG 3.39Å; I215-L219 PolarHBondContact O-N 2.66Å; G216-L219 PolarHBondContact O-N 2.99Å; L219-P223 WeakPolarHBondContact O-CD 3.37Å; L219-P223 VanDerWaalsContact O-CG 3.3Å; L219-P223 WeakPolarHBondContact O-CG 3.24Å; L219-N283 VanDerWaalsContact CA-ND2 3.33Å; L219-N283 WeakPolarHBondContact CA-ND2 3.09Å; L219-N283 HydrophobicContact CD2-CB 4.32Å; L219-N283 WeakPolarHBondContact CD2-OD1 3.4Å; L219-N283 PolarHBondContact O-ND2 2.82Å
220	A	98.9	Very high	98.9	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-85.5	-39.9	173.6	0	0	0	0	0	112.5	A206 G216 N218 A224 V230 W232 I259	A206-A220 HydrophobicContact CB-CB 4.05Å; G216-A220 PolarHBondContact O-N 3.48Å; N218-A220 VanDerWaalsContact C-N 3.3Å; N218-A220 PolarHBondContact O-N 3.25Å; A220-A224 WeakPolarHBondContact O-CB 3.24Å; A220-A224 PolarHBondContact O-N 3.22Å; A220-V230 HydrophobicContact CB-CG1 4.18Å; A220-W232 HydrophobicContact CB-CB 4.03Å; A220-W232 HydrophobicContact CB-CD2 3.98Å; A220-W232 HydrophobicContact CB-CE3 4.19Å; A220-W232 HydrophobicContact CB-CG 3.9Å; A220-I259 HydrophobicContact CB-CD1 4.12Å; A220-I259 HydrophobicContact CB-CG2 4.31Å
221	G	98.9	Very high	98.9	Very high	3 Å²	3	3.2 Å²	3.2	3%	0.031	2%	0.017	C	C	.	.	H	α-helix	trans	-72.5	-41.4	-174	0	0	0	0	0	114.5	F128 G217 N218 A224 L225	F128-G221 VanDerWaalsContact CZ-O 3.31Å; F128-G221 WeakPolarHBondContact CZ-O 3.48Å; G217-G221 VanDerWaalsContact O-CA 3.24Å; G217-G221 WeakPolarHBondContact O-CA 3.34Å; G217-G221 PolarHBondContact O-N 3.06Å; N218-G221 PolarHBondContact O-N 3.39Å; G221-A224 PolarHBondContact O-N 2.93Å; G221-L225 WeakPolarHBondContact O-CB 3.37Å; G221-L225 PolarHBondContact O-N 3.03Å
222	A	98.9	Very high	98.9	Very high	2 Å²	2	3.2 Å²	3.2	2%	0.017	2%	0.017	C	C	.	.	H	α-helix	trans	-65.8	-43.4	-177.1	0	0	0	0	0	113.2	N218 M226 Y537	N218-A222 VanDerWaalsContact O-CB 3.26Å; N218-A222 WeakPolarHBondContact O-CB 3.4Å; N218-A222 PolarHBondContact O-N 2.92Å; A222-M226 PolarHBondContact O-N 3.17Å; A222-Y537 HydrophobicContact CB-CD1 4.19Å; A222-Y537 HydrophobicContact CB-CE1 3.7Å
223	P	98.9	Very high	98.9	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-61.9	-44.6	169.6	-21.8	32.8	0	0	0	112.2	V204 L219 L225 M226 N228 V230 W541	V204-P223 HydrophobicContact CB-CB 4.31Å; V204-P223 HydrophobicContact CG1-CB 4.15Å; V204-P223 HydrophobicContact CG1-CG 4.08Å; V204-P223 HydrophobicContact CG2-CB 4.21Å; L219-P223 WeakPolarHBondContact O-CD 3.37Å; L219-P223 VanDerWaalsContact O-CG 3.3Å; L219-P223 WeakPolarHBondContact O-CG 3.24Å; P223-L225 VanDerWaalsContact C-N 3.33Å; P223-L225 PolarHBondContact O-N 2.88Å; P223-M226 PolarHBondContact O-N 3.06Å; P223-N228 HydrophobicContact CB-CB 4.09Å; P223-N228 VanDerWaalsContact O-CB 3.27Å; P223-N228 WeakPolarHBondContact O-CB 3.33Å; P223-N228 PolarHBondContact O-N 3.03Å; P223-N228 VanDerWaalsContact O-N 3.17Å; P223-N228 PolarHBondContact O-ND2 2.96Å; P223-V230 HydrophobicContact CB-CG2 4.1Å; P223-W541 HydrophobicContact CB-CB 4.34Å; P223-W541 HydrophobicContact CB-CD2 4.19Å; P223-W541 HydrophobicContact CB-CE3 4.48Å; P223-W541 HydrophobicContact CB-CG 4.09Å; P223-W541 HydrophobicContact CG-CD2 3.84Å; P223-W541 HydrophobicContact CG-CE3 4.31Å; P223-W541 HydrophobicContact CG-CG 3.99Å
224	A	99	Very high	98.9	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-58.8	-42.8	179.6	0	0	0	0	0	112.2	W116 F128 A220 G221 M226 G227 N228 V230 I258 I259	W116-A224 PolarHBondContact NE1-O 3.41Å; F128-A224 HydrophobicContact CZ-CB 4.02Å; A220-A224 WeakPolarHBondContact O-CB 3.24Å; A220-A224 PolarHBondContact O-N 3.22Å; G221-A224 PolarHBondContact O-N 2.93Å; A224-M226 PolarHBondContact O-N 2.83Å; A224-G227 PolarHBondContact O-N 3.05Å; A224-N228 WeakPolarHBondContact CA-O 3.4Å; A224-V230 HydrophobicContact CB-CG2 4.27Å; A224-I258 HydrophobicContact CB-CG2 4.07Å; A224-I259 HydrophobicContact CB-CD1 3.97Å; A224-I259 HydrophobicContact CB-CG1 4.01Å
225	L	98.9	Very high	98.9	Very high	2 Å²	2	3.8 Å²	3.8	1%	0.01	2%	0.021	C	C	.	.	H	α-helix	trans	-54.5	-38.9	173.2	172.9	63.8	0	0	0	112.8	R124 A125 F128 N173 A177 G221 P223 G227	R124-L225 HydrophobicContact CB-CD1 4.38Å; R124-L225 PolarHBondContact NE-O 3.18Å; A125-L225 HydrophobicContact CB-CD1 3.96Å; F128-L225 HydrophobicContact CD2-CB 4.06Å; F128-L225 HydrophobicContact CD2-CD1 3.8Å; F128-L225 HydrophobicContact CD2-CG 4.46Å; F128-L225 HydrophobicContact CE2-CB 3.68Å; F128-L225 HydrophobicContact CE2-CD1 4.09Å; F128-L225 HydrophobicContact CE2-CG 4.49Å; F128-L225 HydrophobicContact CZ-CB 4.12Å; N173-L225 VanDerWaalsContact C-CD2 3.43Å; N173-L225 HydrophobicContact CB-CD2 3.73Å; N173-L225 WeakPolarHBondContact O-CD2 3.25Å; A177-L225 HydrophobicContact CB-CD1 4.37Å; A177-L225 HydrophobicContact CB-CD2 3.83Å; A177-L225 HydrophobicContact CB-CG 4Å; G221-L225 WeakPolarHBondContact O-CB 3.37Å; G221-L225 PolarHBondContact O-N 3.03Å; P223-L225 VanDerWaalsContact C-N 3.33Å; P223-L225 PolarHBondContact O-N 2.88Å; L225-G227 PolarHBondContact O-N 3.48Å
226	M	98.9	Very high	98.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	12	-179.9	-63.1	-51.9	-62.9	0	0	114.1	A177 L180 G199 A222 P223 A224 I538 W541 T542	A177-M226 HydrophobicContact CB-SD 3.65Å; L180-M226 HydrophobicContact CD2-CE 3.92Å; G199-M226 WeakPolarHBondContact CA-O 3.38Å; G199-M226 PolarHBondContact N-O 3.4Å; A222-M226 PolarHBondContact O-N 3.17Å; P223-M226 PolarHBondContact O-N 3.06Å; A224-M226 PolarHBondContact O-N 2.83Å; M226-I538 HydrophobicContact CG-CB 4Å; M226-I538 HydrophobicContact CG-CG2 4.39Å; M226-I538 HydrophobicContact SD-CB 3.85Å; M226-I538 HydrophobicContact SD-CD1 4.17Å; M226-I538 HydrophobicContact SD-CG2 4.29Å; M226-W541 HydrophobicContact CB-CB 3.93Å; M226-W541 WeakPolarHBondContact CB-O 3.35Å; M226-W541 HydrophobicContact CG-CB 4.08Å; M226-T542 HydrophobicContact CE-CG2 4.09Å
227	G	98.8	Very high	98.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	11.2	176.6	0	0	0	0	0	114.2	A224 L225	A224-G227 PolarHBondContact O-N 3.05Å; L225-G227 PolarHBondContact O-N 3.48Å
228	N	98.9	Very high	98.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.			trans	-86.1	162.3	175.8	-55.1	-88.8	0	0	0	111.2	W116 L200 V204 P223 A224 W541	W116-N228 PolarHBondContact NE1-O 2.87Å; L200-N228 WeakPolarHBondContact CA-OD1 3.43Å; L200-N228 WeakPolarHBondContact CB-OD1 3.27Å; L200-N228 VanDerWaalsContact CG-OD1 3.3Å; L200-N228 WeakPolarHBondContact CG-OD1 3.44Å; L200-N228 PolarHBondContact N-OD1 3.4Å; V204-N228 HydrophobicContact CG2-CB 4.04Å; P223-N228 HydrophobicContact CB-CB 4.09Å; P223-N228 VanDerWaalsContact O-CB 3.27Å; P223-N228 WeakPolarHBondContact O-CB 3.33Å; P223-N228 PolarHBondContact O-N 3.03Å; P223-N228 VanDerWaalsContact O-N 3.17Å; P223-N228 PolarHBondContact O-ND2 2.96Å; A224-N228 WeakPolarHBondContact CA-O 3.4Å; N228-W541 PolarHBondContact ND2-O 2.98Å
229	V	99	Very high	98.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.035	C	C	.	.			trans	-110.5	147.6	165.4	-63.4	0	0	0	0	109.3	A109 R113 F203 V204 I258	A109-V229 HydrophobicContact CB-CB 3.96Å; A109-V229 HydrophobicContact CB-CG2 3.83Å; A109-V229 WeakPolarHBondContact O-CG1 3.3Å; R113-V229 HydrophobicContact CB-CG1 3.78Å; R113-V229 HydrophobicContact CB-CG2 3.96Å; R113-V229 HydrophobicContact CG-CG1 4.05Å; R113-V229 HydrophobicContact CG-CG2 4Å; F203-V229 HydrophobicContact CB-CG2 4.03Å; V204-V229 PolarHBondContact N-O 2.88Å; V229-I258 CarbonylContact C-O 3.56Å; V229-I258 WeakPolarHBondContact CA-O 3.4Å; V229-I258 HydrophobicContact CG1-CD1 4.12Å
230	V	99	Very high	98.9	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.9	-163	-174.4	0	0	0	0	111.5	V204 A206 A220 P223 A224 I258 I259 Q260	V204-V230 HydrophobicContact CB-CG2 4.37Å; V204-V230 CarbonylContact O-C 3.6Å; V204-V230 VanDerWaalsContact O-CA 3.25Å; V204-V230 WeakPolarHBondContact O-CA 3.17Å; A206-V230 HydrophobicContact CB-CG1 3.58Å; A220-V230 HydrophobicContact CB-CG1 4.18Å; P223-V230 HydrophobicContact CB-CG2 4.1Å; A224-V230 HydrophobicContact CB-CG2 4.27Å; V230-I258 PolarHBondContact N-O 3.15Å; V230-I259 HydrophobicContact CB-CG1 4.21Å; V230-I259 CarbonylContact O-C 3.52Å; V230-I259 WeakPolarHBondContact O-CA 3.39Å; V230-Q260 PolarHBondContact O-N 3.45Å
231	L	98.9	Very high	98.9	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113.9	158.2	-89.6	69.5	0	0	0	108	L102 A105 I106 A109 F203 V204 A206 Q260 V262 F269	L102-L231 HydrophobicContact CD2-CD2 4.38Å; A105-L231 HydrophobicContact CB-CD1 4.49Å; A105-L231 HydrophobicContact CB-CD2 4.17Å; A105-L231 HydrophobicContact CB-CG 4.26Å; I106-L231 HydrophobicContact CD1-CD2 4.29Å; I106-L231 HydrophobicContact CG1-CD1 4Å; I106-L231 HydrophobicContact CG1-CD2 3.55Å; I106-L231 HydrophobicContact CG1-CG 4.44Å; A109-L231 HydrophobicContact CB-CD1 4.22Å; F203-L231 HydrophobicContact CD2-CD1 3.99Å; V204-L231 PolarHBondContact O-N 3.21Å; A206-L231 PolarHBondContact N-O 3.25Å; L231-Q260 HydrophobicContact CD1-CB 4.45Å; L231-Q260 HydrophobicContact CD1-CG 4.04Å; L231-Q260 HydrophobicContact CG-CB 4.24Å; L231-Q260 HydrophobicContact CG-CG 4.37Å; L231-V262 HydrophobicContact CB-CG2 4.02Å; L231-V262 HydrophobicContact CD2-CG2 4.38Å; L231-V262 HydrophobicContact CG-CG2 4.15Å; L231-F269 HydrophobicContact CB-CE2 4.31Å; L231-F269 HydrophobicContact CB-CZ 4.25Å
232	W	98.9	Very high	98.9	Very high	1 Å²	1	6 Å²	6	0%	0.004	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.2	178.5	179.7	21.2	0	0	0	110.3	A206 S208 A220 P234 S242 V245 I259 Q260 F261 V262	A206-W232 HydrophobicContact CB-CB 4.45Å; A206-W232 WeakPolarHBondContact O-CA 3.45Å; S208-W232 PolarHBondContact OG-NE1 3.42Å; A220-W232 HydrophobicContact CB-CB 4.03Å; A220-W232 HydrophobicContact CB-CD2 3.98Å; A220-W232 HydrophobicContact CB-CE3 4.19Å; A220-W232 HydrophobicContact CB-CG 3.9Å; W232-P234 HydrophobicContact CZ2-CB 4.19Å; W232-P234 WeakPolarHBondContact O-CD 3.29Å; W232-S242 VanDerWaalsContact CH2-O 3.29Å; W232-S242 WeakPolarHBondContact CH2-O 3.15Å; W232-V245 HydrophobicContact CH2-CB 4.47Å; W232-I259 HydrophobicContact CB-CG2 3.97Å; W232-I259 HydrophobicContact CE3-CG2 4.23Å; W232-Q260 PolarHBondContact N-O 2.86Å; W232-F261 HydrophobicContact CD2-CD2 4.33Å; W232-F261 HydrophobicContact CD2-CE2 4.46Å; W232-F261 AromaticContact CE3-CD2 3.73Å; W232-F261 HydrophobicContact CE3-CD2 3.73Å; W232-F261 HydrophobicContact CE3-CE2 4.02Å; W232-F261 HydrophobicContact CH2-CE2 4.21Å; W232-F261 AromaticContact CZ3-CD2 3.95Å; W232-F261 HydrophobicContact CZ3-CD2 3.95Å; W232-F261 AromaticContact CZ3-CE2 3.9Å; W232-F261 HydrophobicContact CZ3-CE2 3.9Å; W232-V262 WeakPolarHBondContact O-CG2 3.37Å; W232-V262 PolarHBondContact O-N 2.8Å
233	K	98.9	Very high	98.9	Very high	21 Å²	21	6.4 Å²	6.4	9%	0.091	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	97.3	164.7	-174.8	-154	161.4	-65	0	109	A206 I207 S208 A264 F269	A206-K233 PolarHBondContact O-N 3.07Å; I207-K233 HydrophobicContact CG2-CD 4.47Å; S208-K233 PolarHBondContact N-O 3.39Å; K233-A264 WeakPolarHBondContact CE-O 3.25Å; K233-A264 HydrophobicContact CG-CB 4.5Å; K233-F269 HydrophobicContact CB-CD1 4.06Å; K233-F269 HydrophobicContact CB-CD2 3.83Å; K233-F269 HydrophobicContact CB-CE1 3.92Å; K233-F269 HydrophobicContact CB-CE2 3.69Å; K233-F269 HydrophobicContact CB-CG 4.01Å; K233-F269 HydrophobicContact CB-CZ 3.72Å; K233-F269 HydrophobicContact CD-CB 3.93Å; K233-F269 HydrophobicContact CD-CD1 3.96Å; K233-F269 HydrophobicContact CD-CD2 4.34Å; K233-F269 HydrophobicContact CD-CG 3.81Å; K233-F269 HydrophobicContact CG-CD1 4.5Å; K233-F269 HydrophobicContact CG-CD2 4.21Å; K233-F269 HydrophobicContact CG-CG 4.19Å
234	P	98.9	Very high	98.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.			trans	-65.2	169.6	172.5	29.2	-37.2	0	0	0	112.1	S208 W232 M239 F261 P263	S208-P234 WeakPolarHBondContact OG-CA 3.46Å; W232-P234 HydrophobicContact CZ2-CB 4.19Å; W232-P234 WeakPolarHBondContact O-CD 3.29Å; P234-M239 HydrophobicContact CB-CE 4.4Å; P234-M239 HydrophobicContact CB-SD 4.36Å; P234-M239 HydrophobicContact CG-CE 3.77Å; P234-M239 HydrophobicContact CG-SD 3.6Å; P234-F261 HydrophobicContact CB-CE2 4.29Å; P234-F261 HydrophobicContact CB-CZ 4.35Å; P234-F261 HydrophobicContact CG-CE1 4.22Å; P234-F261 HydrophobicContact CG-CE2 3.79Å; P234-F261 HydrophobicContact CG-CZ 3.64Å; P234-P263 HydrophobicContact CG-CG 4.07Å
235	S	98.7	Very high	98.9	Very high	18 Å²	18	6.5 Å²	6.5	13%	0.126	4%	0.036	C	C	.	.			trans	-77.6	135.8	168.8	-175.4	0	0	0	0	109.9	S208 P209 F210 T237 A238 M239	S208-S235 PolarHBondContact O-N 3.05Å; P209-S235 VanDerWaalsContact C-CB 3.46Å; P209-S235 WeakPolarHBondContact O-CB 3.27Å; F210-S235 WeakPolarHBondContact CB-OG 3.46Å; S235-T237 PolarHBondContact O-N 3.19Å; S235-T237 PolarHBondContact OG-OG1 3.28Å; S235-A238 CarbonylContact O-C 3.48Å; S235-A238 PolarHBondContact O-N 3.21Å; S235-M239 PolarHBondContact O-N 2.97Å
236	D	98.8	Very high	98.9	Very high	48 Å²	48	6.4 Å²	6.4	26%	0.257	4%	0.035	S	C	.	.	G	3₁₀ helix	trans	-53.5	-38.8	178.2	-50.1	-21.9	0	0	0	111.5	F94 Y96 A238	F94-D236 HydrophobicContact CZ-CB 3.84Å; Y96-D236 VanDerWaalsContact OH-CG 3.27Å; Y96-D236 PolarHBondContact OH-OD2 2.84Å; D236-A238 VanDerWaalsContact C-N 3.3Å; D236-A238 PolarHBondContact O-N 3.12Å
237	T	98.7	Very high	98.9	Very high	28 Å²	28	10.7 Å²	10.7	17%	0.172	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-86.2	7.3	-178.8	50.3	0	0	0	0	114.5	Q81 Q151 F210 S235 I392 D393	Q81-T237 VanDerWaalsContact NE2-C 3.34Å; Q81-T237 PolarHBondContact NE2-O 2.87Å; Q151-T237 WeakPolarHBondContact CG-O 3.2Å; F210-T237 WeakPolarHBondContact CB-OG1 3.27Å; S235-T237 PolarHBondContact O-N 3.19Å; S235-T237 PolarHBondContact OG-OG1 3.28Å; T237-I392 VanDerWaalsContact CB-CG1 3.48Å; T237-I392 HydrophobicContact CG2-CG1 3.98Å; T237-D393 HydrophobicContact CG2-CB 4.13Å
238	A	98.9	Very high	98.9	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-132.1	20.4	171.5	0	0	0	0	0	112.2	Q151 S235 D236 L240 A241 S242	Q151-A238 HydrophobicContact CG-CB 3.84Å; S235-A238 CarbonylContact O-C 3.48Å; S235-A238 PolarHBondContact O-N 3.21Å; D236-A238 VanDerWaalsContact C-N 3.3Å; D236-A238 PolarHBondContact O-N 3.12Å; A238-L240 PolarHBondContact O-N 3.15Å; A238-A241 PolarHBondContact O-N 3.01Å; A238-S242 VanDerWaalsContact O-CB 3.26Å; A238-S242 WeakPolarHBondContact O-CB 3.23Å; A238-S242 PolarHBondContact O-N 2.94Å; A238-S242 PolarHBondContact O-OG 2.86Å
239	M	98.9	Very high	98.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.1	-46.4	-171.2	-164.1	60	58.3	0	0	112.9	I64 F94 P234 S235 A241 S242 Y243 F261 P263	I64-M239 HydrophobicContact CD1-CG 3.94Å; I64-M239 HydrophobicContact CG2-CG 4.17Å; F94-M239 HydrophobicContact CB-CG 4.15Å; F94-M239 HydrophobicContact CD1-CB 4.4Å; F94-M239 HydrophobicContact CD1-CG 3.99Å; F94-M239 HydrophobicContact CD2-CE 3.82Å; F94-M239 HydrophobicContact CD2-CG 4.47Å; F94-M239 HydrophobicContact CD2-SD 4.45Å; F94-M239 HydrophobicContact CE1-CE 4.4Å; F94-M239 HydrophobicContact CE2-CE 3.69Å; F94-M239 HydrophobicContact CG-CE 4.23Å; F94-M239 HydrophobicContact CG-CG 3.97Å; F94-M239 HydrophobicContact CG-SD 4.49Å; F94-M239 HydrophobicContact CZ-CE 4Å; P234-M239 HydrophobicContact CB-CE 4.4Å; P234-M239 HydrophobicContact CB-SD 4.36Å; P234-M239 HydrophobicContact CG-CE 3.77Å; P234-M239 HydrophobicContact CG-SD 3.6Å; S235-M239 PolarHBondContact O-N 2.97Å; M239-A241 PolarHBondContact O-N 3.34Å; M239-S242 PolarHBondContact O-N 3.33Å; M239-Y243 WeakPolarHBondContact O-CB 3.38Å; M239-Y243 PolarHBondContact O-N 3.45Å; M239-F261 HydrophobicContact SD-CE1 3.74Å; M239-F261 HydrophobicContact SD-CZ 3.67Å; M239-P263 HydrophobicContact CE-CB 3.66Å; M239-P263 HydrophobicContact CE-CG 3.73Å; M239-P263 HydrophobicContact SD-CB 4.09Å; M239-P263 HydrophobicContact SD-CG 3.45Å; M239-P263 WeakPolarHBondContact SD-CG 3.43Å
240	L	98.8	Very high	98.9	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	6%	0.06	C	C	.	.	H	α-helix	trans	-58.3	-49.7	-177.4	-175.6	67.5	0	0	0	112.3	E62 I64 Q81 V91 K146 A238 A244	E62-L240 HydrophobicContact CB-CD1 3.8Å; E62-L240 HydrophobicContact CG-CD1 4.48Å; E62-L240 VanDerWaalsContact OE2-CD1 3.23Å; E62-L240 WeakPolarHBondContact OE2-CD1 3.31Å; I64-L240 HydrophobicContact CD1-CD1 4.32Å; Q81-L240 VanDerWaalsContact OE1-CB 3.31Å; V91-L240 HydrophobicContact CB-CD2 4.1Å; V91-L240 HydrophobicContact CG2-CD2 4.25Å; K146-L240 HydrophobicContact CB-CD2 4Å; K146-L240 HydrophobicContact CB-CG 3.95Å; K146-L240 HydrophobicContact CD-CD1 4.23Å; K146-L240 HydrophobicContact CD-CG 3.92Å; K146-L240 HydrophobicContact CG-CD1 4.42Å; K146-L240 HydrophobicContact CG-CD2 3.88Å; K146-L240 HydrophobicContact CG-CG 3.78Å; A238-L240 PolarHBondContact O-N 3.15Å; L240-A244 PolarHBondContact O-N 2.95Å
241	A	98.9	Very high	98.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-71.8	-40.8	178.4	0	0	0	0	0	111.4	I143 K146 Q151 T213 A238 M239 Y243 A244 V245	I143-A241 HydrophobicContact CD1-CB 4.3Å; I143-A241 WeakPolarHBondContact CD1-O 3.47Å; K146-A241 HydrophobicContact CB-CB 4.36Å; Q151-A241 VanDerWaalsContact OE1-CB 3.31Å; T213-A241 HydrophobicContact CG2-CB 3.88Å; A238-A241 PolarHBondContact O-N 3.01Å; M239-A241 PolarHBondContact O-N 3.34Å; A241-Y243 VanDerWaalsContact C-N 3.33Å; A241-Y243 PolarHBondContact O-N 2.92Å; A241-A244 WeakPolarHBondContact O-CB 3.25Å; A241-A244 PolarHBondContact O-N 3.33Å; A241-A244 VanDerWaalsContact O-N 3.14Å; A241-V245 WeakPolarHBondContact O-CG2 3.14Å; A241-V245 PolarHBondContact O-N 3.06Å
242	S	98.9	Very high	98.8	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-59.7	-43	177.8	-61.2	0	0	0	0	111.9	W232 A238 M239 V245 Y246	W232-S242 VanDerWaalsContact CH2-O 3.29Å; W232-S242 WeakPolarHBondContact CH2-O 3.15Å; A238-S242 VanDerWaalsContact O-CB 3.26Å; A238-S242 WeakPolarHBondContact O-CB 3.23Å; A238-S242 PolarHBondContact O-N 2.94Å; A238-S242 PolarHBondContact O-OG 2.86Å; M239-S242 PolarHBondContact O-N 3.33Å; S242-V245 PolarHBondContact O-N 2.93Å; S242-Y246 PolarHBondContact O-N 2.92Å
243	Y	98.9	Very high	98.8	Very high	11 Å²	11	19.3 Å²	19.3	4%	0.043	10%	0.102	C	C	.	.	H	α-helix	trans	-66.6	-37.9	176.5	-170.8	-120.1	0	0	0	111.9	E62 I64 V67 M239 A241 V245 Y246 R247 F261	E62-Y243 WeakPolarHBondContact OE1-CD1 3.33Å; I64-Y243 HydrophobicContact CB-CD1 4.43Å; I64-Y243 HydrophobicContact CB-CG 4.47Å; I64-Y243 HydrophobicContact CD1-CD1 4.3Å; I64-Y243 HydrophobicContact CD1-CG 4.35Å; I64-Y243 HydrophobicContact CG1-CD1 3.92Å; I64-Y243 HydrophobicContact CG1-CG 4.25Å; I64-Y243 HydrophobicContact CG2-CD1 3.94Å; I64-Y243 HydrophobicContact CG2-CD2 3.69Å; I64-Y243 HydrophobicContact CG2-CE1 4.43Å; I64-Y243 HydrophobicContact CG2-CE2 4.21Å; I64-Y243 HydrophobicContact CG2-CG 3.54Å; V67-Y243 HydrophobicContact CG2-CE2 3.98Å; M239-Y243 WeakPolarHBondContact O-CB 3.38Å; M239-Y243 PolarHBondContact O-N 3.45Å; A241-Y243 VanDerWaalsContact C-N 3.33Å; A241-Y243 PolarHBondContact O-N 2.92Å; Y243-V245 PolarHBondContact O-N 2.63Å; Y243-Y246 HydrophobicContact CD2-CD1 4.03Å; Y243-Y246 AromaticContact CE2-CD1 3.9Å; Y243-Y246 HydrophobicContact CE2-CD1 3.9Å; Y243-Y246 HydrophobicContact CE2-CE1 4.4Å; Y243-Y246 WeakPolarHBondContact O-CB 3.47Å; Y243-Y246 PolarHBondContact O-N 3.25Å; Y243-R247 HydrophobicContact CD1-CG 4.2Å; Y243-R247 HydrophobicContact CE1-CG 3.93Å; Y243-R247 HydrophobicContact CE2-CG 4.32Å; Y243-R247 WeakPolarHBondContact O-CG 3.26Å; Y243-R247 PolarHBondContact O-N 3.39Å; Y243-F261 AromaticContact CD2-CD1 3.85Å; Y243-F261 HydrophobicContact CD2-CD1 3.85Å; Y243-F261 AromaticContact CD2-CE1 3.67Å; Y243-F261 HydrophobicContact CD2-CE1 3.67Å; Y243-F261 HydrophobicContact CD2-CE2 4.48Å; Y243-F261 HydrophobicContact CD2-CG 4.33Å; Y243-F261 AromaticContact CD2-CZ 4Å; Y243-F261 HydrophobicContact CD2-CZ 4Å; Y243-F261 HydrophobicContact CE2-CD1 4.39Å; Y243-F261 HydrophobicContact CG-CE1 4.33Å; Y243-F261 HydrophobicContact CG-CZ 4.4Å
244	A	98.9	Very high	98.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-44	173.7	0	0	0	0	0	111.9	I143 K146 L240 A241 Y246 R247 I248	I143-A244 HydrophobicContact CD1-CB 3.71Å; K146-A244 HydrophobicContact CD-CB 3.66Å; L240-A244 PolarHBondContact O-N 2.95Å; A241-A244 WeakPolarHBondContact O-CB 3.25Å; A241-A244 PolarHBondContact O-N 3.33Å; A241-A244 VanDerWaalsContact O-N 3.14Å; A244-Y246 VanDerWaalsContact C-N 3.35Å; A244-Y246 PolarHBondContact O-N 2.98Å; A244-R247 PolarHBondContact O-N 3.28Å; A244-I248 VanDerWaalsContact O-CG1 3.23Å; A244-I248 WeakPolarHBondContact O-CG1 3.49Å; A244-I248 PolarHBondContact O-N 3.01Å
245	V	98.9	Very high	98.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-59.4	-45.6	172.7	177.3	0	0	0	0	111.1	I143 L166 F170 T213 W232 A241 S242 Y243 R247 I248 L249	I143-V245 HydrophobicContact CD1-CG2 3.72Å; I143-V245 HydrophobicContact CG1-CG2 4.41Å; L166-V245 HydrophobicContact CD2-CG1 4.1Å; L166-V245 HydrophobicContact CD2-CG2 3.6Å; F170-V245 HydrophobicContact CZ-CG1 4.38Å; T213-V245 HydrophobicContact CG2-CG2 3.68Å; W232-V245 HydrophobicContact CH2-CB 4.47Å; A241-V245 WeakPolarHBondContact O-CG2 3.14Å; A241-V245 PolarHBondContact O-N 3.06Å; S242-V245 PolarHBondContact O-N 2.93Å; Y243-V245 PolarHBondContact O-N 2.63Å; V245-R247 PolarHBondContact O-N 2.71Å; V245-I248 PolarHBondContact O-N 3Å; V245-L249 HydrophobicContact CG1-CD1 4.19Å; V245-L249 WeakPolarHBondContact O-CG 3.49Å; V245-L249 PolarHBondContact O-N 3.05Å
246	Y	98.9	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.7	-48.9	176.6	175.7	-106.6	0	0	0	111.7	V67 S242 Y243 A244 I248 L249 R250 I259 F261	V67-Y246 HydrophobicContact CB-CE1 3.72Å; V67-Y246 HydrophobicContact CG1-CE1 3.87Å; V67-Y246 WeakPolarHBondContact CG1-OH 3.28Å; V67-Y246 HydrophobicContact CG2-CE1 3.77Å; S242-Y246 PolarHBondContact O-N 2.92Å; Y243-Y246 HydrophobicContact CD2-CD1 4.03Å; Y243-Y246 AromaticContact CE2-CD1 3.9Å; Y243-Y246 HydrophobicContact CE2-CD1 3.9Å; Y243-Y246 HydrophobicContact CE2-CE1 4.4Å; Y243-Y246 WeakPolarHBondContact O-CB 3.47Å; Y243-Y246 PolarHBondContact O-N 3.25Å; A244-Y246 VanDerWaalsContact C-N 3.35Å; A244-Y246 PolarHBondContact O-N 2.98Å; Y246-I248 PolarHBondContact O-N 3.05Å; Y246-L249 WeakPolarHBondContact O-CB 3.5Å; Y246-L249 PolarHBondContact O-N 2.94Å; Y246-R250 HydrophobicContact CD1-CG 4.42Å; Y246-R250 HydrophobicContact CE1-CG 3.96Å; Y246-R250 HydrophobicContact CE2-CG 4.04Å; Y246-R250 WeakPolarHBondContact O-CG 3.3Å; Y246-R250 PolarHBondContact O-N 3.43Å; Y246-R250 PolarHBondContact OH-NH1 3.2Å; Y246-I259 HydrophobicContact CD2-CG2 4.32Å; Y246-I259 HydrophobicContact CE2-CB 4.47Å; Y246-I259 HydrophobicContact CE2-CG2 4.34Å; Y246-I259 WeakPolarHBondContact CE2-O 3.45Å; Y246-F261 HydrophobicContact CD1-CB 4.03Å; Y246-F261 HydrophobicContact CD1-CD2 4.38Å; Y246-F261 HydrophobicContact CD1-CG 4.24Å; Y246-F261 HydrophobicContact CD2-CB 4.01Å; Y246-F261 HydrophobicContact CD2-CD2 4.2Å; Y246-F261 HydrophobicContact CD2-CG 4.49Å; Y246-F261 HydrophobicContact CE1-CB 4.03Å; Y246-F261 HydrophobicContact CE2-CB 4.03Å; Y246-F261 HydrophobicContact CG-CB 4.01Å; Y246-F261 AromaticContact CG-CD2 3.85Å; Y246-F261 HydrophobicContact CG-CD2 3.85Å; Y246-F261 HydrophobicContact CG-CG 4.13Å
247	R	98.8	Very high	98.8	Very high	90 Å²	90	21.5 Å²	21.5	34%	0.34	12%	0.118	S	C	.	.	H	α-helix	trans	-61	-43.3	177.9	-66.9	-55.7	-61.5	-157.4	-0.7	112.2	E72 Y243 A244 V245 L249 R250 E251	E72-R247 IonicContact OE1-NH1 2.64Å; Y243-R247 HydrophobicContact CD1-CG 4.2Å; Y243-R247 HydrophobicContact CE1-CG 3.93Å; Y243-R247 HydrophobicContact CE2-CG 4.32Å; Y243-R247 WeakPolarHBondContact O-CG 3.26Å; Y243-R247 PolarHBondContact O-N 3.39Å; A244-R247 PolarHBondContact O-N 3.28Å; V245-R247 PolarHBondContact O-N 2.71Å; R247-L249 VanDerWaalsContact C-N 3.32Å; R247-L249 PolarHBondContact O-N 3.04Å; R247-R250 PolarHBondContact O-N 3.06Å; R247-E251 WeakPolarHBondContact O-CB 3.23Å; R247-E251 WeakPolarHBondContact O-CG 3.48Å; R247-E251 PolarHBondContact O-N 3.15Å
248	I	98.9	Very high	98.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-59.9	-42.5	176.2	-68.6	167.8	0	0	0	110.8	A131 M134 L135 R139 A244 V245 Y246 E251 A252	A131-I248 HydrophobicContact CB-CG2 4.1Å; M134-I248 HydrophobicContact CB-CG2 4.12Å; M134-I248 HydrophobicContact CE-CG2 4.18Å; M134-I248 HydrophobicContact SD-CG2 4.36Å; L135-I248 HydrophobicContact CD2-CD1 3.55Å; L135-I248 HydrophobicContact CG-CD1 4.2Å; L135-I248 HydrophobicContact CG-CG2 4.2Å; R139-I248 HydrophobicContact CB-CD1 3.77Å; R139-I248 HydrophobicContact CB-CG1 4.4Å; R139-I248 HydrophobicContact CG-CD1 4.11Å; R139-I248 HydrophobicContact CG-CG1 4.18Å; A244-I248 VanDerWaalsContact O-CG1 3.23Å; A244-I248 WeakPolarHBondContact O-CG1 3.49Å; A244-I248 PolarHBondContact O-N 3.01Å; V245-I248 PolarHBondContact O-N 3Å; Y246-I248 PolarHBondContact O-N 3.05Å; I248-E251 PolarHBondContact O-N 3.14Å; I248-A252 VanDerWaalsContact O-CB 3.24Å; I248-A252 WeakPolarHBondContact O-CB 3.49Å; I248-A252 PolarHBondContact O-N 3.23Å
249	L	98.9	Very high	98.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-43.5	175.6	-74.1	167.9	0	0	0	112	F128 A131 F170 V245 Y246 R247 A252 G253 L254 I259	F128-L249 HydrophobicContact CD1-CD2 3.87Å; F128-L249 HydrophobicContact CE1-CD2 3.85Å; A131-L249 HydrophobicContact CB-CD2 3.99Å; F170-L249 HydrophobicContact CE2-CD2 3.91Å; F170-L249 HydrophobicContact CZ-CD1 4.34Å; F170-L249 HydrophobicContact CZ-CD2 3.77Å; F170-L249 HydrophobicContact CZ-CG 4.28Å; V245-L249 HydrophobicContact CG1-CD1 4.19Å; V245-L249 WeakPolarHBondContact O-CG 3.49Å; V245-L249 PolarHBondContact O-N 3.05Å; Y246-L249 WeakPolarHBondContact O-CB 3.5Å; Y246-L249 PolarHBondContact O-N 2.94Å; R247-L249 VanDerWaalsContact C-N 3.32Å; R247-L249 PolarHBondContact O-N 3.04Å; L249-A252 PolarHBondContact O-N 2.94Å; L249-G253 PolarHBondContact O-N 3.1Å; L249-L254 HydrophobicContact CB-CB 4.39Å; L249-L254 HydrophobicContact CB-CD2 4.13Å; L249-L254 WeakPolarHBondContact O-CB 3.32Å; L249-L254 PolarHBondContact O-N 3.06Å; L249-I259 HydrophobicContact CD1-CD1 4.21Å
250	R	98.8	Very high	98.8	Very high	42 Å²	42	20.3 Å²	20.3	16%	0.158	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-45.9	175.9	-61.5	-52.1	-56.4	-73.5	-9.8	111.7	G69 D70 Y246 R247 A252 G253 L254	G69-R250 PolarHBondContact O-NH1 3.4Å; D70-R250 IonicContact OD1-CZ 3.05Å; D70-R250 IonicContact OD1-NH1 3.97Å; D70-R250 PolarHBondContact OD1-NH1 3.22Å; D70-R250 IonicContact OD1-NH2 3.3Å; D70-R250 PolarHBondContact OD1-NH2 3.49Å; Y246-R250 HydrophobicContact CD1-CG 4.42Å; Y246-R250 HydrophobicContact CE1-CG 3.96Å; Y246-R250 HydrophobicContact CE2-CG 4.04Å; Y246-R250 WeakPolarHBondContact O-CG 3.3Å; Y246-R250 PolarHBondContact O-N 3.43Å; Y246-R250 PolarHBondContact OH-NH1 3.2Å; R247-R250 PolarHBondContact O-N 3.06Å; R250-A252 VanDerWaalsContact C-N 3.29Å; R250-A252 PolarHBondContact O-N 3.5Å; R250-G253 PolarHBondContact O-N 3.36Å; R250-L254 PolarHBondContact NE-O 3.37Å
251	E	98.7	Very high	98.8	Very high	91 Å²	91	20.2 Å²	20.2	43%	0.425	11%	0.11	S	C	.	.	H	α-helix	trans	-63.8	-31.6	175.5	-71.1	171.2	-139.8	0	0	113	K130 M134 R139 R247 I248 G253	K130-E251 PolarHBondContact NZ-O 3Å; M134-E251 HydrophobicContact CE-CB 3.64Å; M134-E251 VanDerWaalsContact CE-OE2 3.26Å; M134-E251 WeakPolarHBondContact CE-OE2 3.07Å; R139-E251 IonicContact CZ-OE1 2.88Å; R139-E251 IonicContact NH1-OE1 2.64Å; R139-E251 PolarHBondContact NH1-OE1 3.39Å; R139-E251 IonicContact NH1-OE2 2.81Å; R139-E251 PolarHBondContact NH1-OE2 3.12Å; R247-E251 WeakPolarHBondContact O-CB 3.23Å; R247-E251 WeakPolarHBondContact O-CG 3.48Å; R247-E251 PolarHBondContact O-N 3.15Å; I248-E251 PolarHBondContact O-N 3.14Å; E251-G253 PolarHBondContact O-N 2.97Å
252	A	98.8	Very high	98.8	Very high	5 Å²	5	20.2 Å²	20.2	4%	0.041	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.9	173	0	0	0	0	0	113	I127 K130 A131 M134 I248 L249 R250	I127-A252 HydrophobicContact CG2-CB 4.29Å; I127-A252 WeakPolarHBondContact O-CB 3.26Å; K130-A252 HydrophobicContact CB-CB 4.21Å; K130-A252 HydrophobicContact CD-CB 4.39Å; K130-A252 WeakPolarHBondContact CD-O 3.2Å; K130-A252 HydrophobicContact CG-CB 4.19Å; A131-A252 HydrophobicContact CB-CB 3.75Å; M134-A252 HydrophobicContact SD-CB 4.08Å; I248-A252 VanDerWaalsContact O-CB 3.24Å; I248-A252 WeakPolarHBondContact O-CB 3.49Å; I248-A252 PolarHBondContact O-N 3.23Å; L249-A252 PolarHBondContact O-N 2.94Å; R250-A252 VanDerWaalsContact C-N 3.29Å; R250-A252 PolarHBondContact O-N 3.5Å
253	G	98.6	Very high	98.8	Very high	41 Å²	41	20.1 Å²	20.1	42%	0.423	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.9	16.3	174.5	0	0	0	0	0	114.3	I127 L249 R250 E251 P255	I127-G253 WeakPolarHBondContact CD1-O 3.3Å; L249-G253 PolarHBondContact O-N 3.1Å; R250-G253 PolarHBondContact O-N 3.36Å; E251-G253 PolarHBondContact O-N 2.97Å; G253-P255 VanDerWaalsContact O-CD 3.25Å; G253-P255 WeakPolarHBondContact O-CD 3.41Å
254	L	98.8	Very high	98.8	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-61.9	118.8	170.7	-172.7	72.3	0	0	0	109.3	W116 I127 L249 R250 I258 I259	W116-L254 HydrophobicContact CH2-CD1 4.25Å; W116-L254 HydrophobicContact CZ2-CD1 4.25Å; I127-L254 HydrophobicContact CG2-CB 3.98Å; I127-L254 HydrophobicContact CG2-CD1 4.42Å; L249-L254 HydrophobicContact CB-CB 4.39Å; L249-L254 HydrophobicContact CB-CD2 4.13Å; L249-L254 WeakPolarHBondContact O-CB 3.32Å; L249-L254 PolarHBondContact O-N 3.06Å; R250-L254 PolarHBondContact NE-O 3.37Å; L254-I258 HydrophobicContact CD1-CB 3.95Å; L254-I258 HydrophobicContact CD1-CG1 4.48Å; L254-I258 HydrophobicContact CD1-CG2 3.8Å; L254-I258 HydrophobicContact CG-CB 4.14Å; L254-I258 HydrophobicContact CG-CG2 4.49Å; L254-I259 HydrophobicContact CD2-CB 3.98Å; L254-I259 HydrophobicContact CD2-CD1 3.67Å; L254-I259 HydrophobicContact CD2-CG1 3.8Å
255	P	98.8	Very high	98.8	Very high	42 Å²	42	22.7 Å²	22.7	27%	0.273	12%	0.124	S	C	.	.	P	Polyproline II helix	trans	-59.9	155.6	-178.7	-22.3	32.6	0	0	0	112.2	W116 G253 I258	W116-P255 HydrophobicContact CE3-CG 4.01Å; W116-P255 HydrophobicContact CZ3-CG 3.92Å; G253-P255 VanDerWaalsContact O-CD 3.25Å; G253-P255 WeakPolarHBondContact O-CD 3.41Å; P255-I258 HydrophobicContact CB-CD1 4.47Å; P255-I258 HydrophobicContact CB-CG1 3.86Å; P255-I258 HydrophobicContact CG-CG1 4.14Å; P255-I258 WeakPolarHBondContact O-CG1 3.37Å
256	P	98.7	Very high	98.8	Very high	50 Å²	50	24.3 Å²	24.3	33%	0.325	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	152	170.2	25.9	-33.7	0	0	0	110.5	D70 I258	D70-P256 WeakPolarHBondContact OD2-CB 3.44Å; P256-I258 PolarHBondContact O-N 3.49Å
257	N	98.8	Very high	98.7	Very high	38 Å²	38	28.1 Å²	28.1	20%	0.203	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	3.1	178.1	-57.9	-52.4	0	0	0	116.9	G69 A108 A109 A112 Q260	G69-N257 WeakPolarHBondContact CA-OD1 3.21Å; G69-N257 PolarHBondContact N-OD1 3.25Å; G69-N257 VanDerWaalsContact N-OD1 3.08Å; A108-N257 VanDerWaalsContact CB-OD1 3.29Å; A108-N257 WeakPolarHBondContact CB-OD1 3.49Å; A108-N257 WeakPolarHBondContact O-CB 3.44Å; A109-N257 WeakPolarHBondContact CA-O 3.14Å; A112-N257 HydrophobicContact CB-CB 3.69Å; N257-Q260 PolarHBondContact OD1-NE2 3.16Å
258	I	98.9	Very high	98.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.015	16%	0.164	C	C	.	.	S	Bend	trans	-79.7	-43	174.2	-52.8	-47.9	0	0	0	111.7	A112 W116 A224 V229 V230 L254 P255 P256	A112-I258 HydrophobicContact CB-CD1 4.11Å; W116-I258 HydrophobicContact CB-CD1 3.53Å; W116-I258 HydrophobicContact CD2-CD1 3.96Å; W116-I258 HydrophobicContact CD2-CG1 4.06Å; W116-I258 HydrophobicContact CD2-CG2 4.1Å; W116-I258 HydrophobicContact CE3-CD1 4.39Å; W116-I258 HydrophobicContact CE3-CG1 4.29Å; W116-I258 HydrophobicContact CG-CD1 3.56Å; W116-I258 HydrophobicContact CG-CG1 4.16Å; W116-I258 HydrophobicContact CG-CG2 4.18Å; W116-I258 HydrophobicContact CZ2-CG2 4.19Å; A224-I258 HydrophobicContact CB-CG2 4.07Å; V229-I258 CarbonylContact C-O 3.56Å; V229-I258 WeakPolarHBondContact CA-O 3.4Å; V229-I258 HydrophobicContact CG1-CD1 4.12Å; V230-I258 PolarHBondContact N-O 3.15Å; L254-I258 HydrophobicContact CD1-CB 3.95Å; L254-I258 HydrophobicContact CD1-CG1 4.48Å; L254-I258 HydrophobicContact CD1-CG2 3.8Å; L254-I258 HydrophobicContact CG-CB 4.14Å; L254-I258 HydrophobicContact CG-CG2 4.49Å; P255-I258 HydrophobicContact CB-CD1 4.47Å; P255-I258 HydrophobicContact CB-CG1 3.86Å; P255-I258 HydrophobicContact CG-CG1 4.14Å; P255-I258 WeakPolarHBondContact O-CG1 3.37Å; P256-I258 PolarHBondContact O-N 3.49Å
259	I	98.9	Very high	98.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.2	169.4	-61.4	176.3	0	0	0	106.9	A220 A224 V230 W232 Y246 L249 L254	A220-I259 HydrophobicContact CB-CD1 4.12Å; A220-I259 HydrophobicContact CB-CG2 4.31Å; A224-I259 HydrophobicContact CB-CD1 3.97Å; A224-I259 HydrophobicContact CB-CG1 4.01Å; V230-I259 HydrophobicContact CB-CG1 4.21Å; V230-I259 CarbonylContact O-C 3.52Å; V230-I259 WeakPolarHBondContact O-CA 3.39Å; W232-I259 HydrophobicContact CB-CG2 3.97Å; W232-I259 HydrophobicContact CE3-CG2 4.23Å; Y246-I259 HydrophobicContact CD2-CG2 4.32Å; Y246-I259 HydrophobicContact CE2-CB 4.47Å; Y246-I259 HydrophobicContact CE2-CG2 4.34Å; Y246-I259 WeakPolarHBondContact CE2-O 3.45Å; L249-I259 HydrophobicContact CD1-CD1 4.21Å; L254-I259 HydrophobicContact CD2-CB 3.98Å; L254-I259 HydrophobicContact CD2-CD1 3.67Å; L254-I259 HydrophobicContact CD2-CG1 3.8Å
260	Q	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.4	172	-47.3	-66.7	17.9	0	0	108.3	A105 A109 V230 L231 W232 N257 V262	A105-Q260 HydrophobicContact CB-CB 4.13Å; A105-Q260 HydrophobicContact CB-CG 4.04Å; A105-Q260 PolarHBondContact O-NE2 2.58Å; A109-Q260 HydrophobicContact CB-CG 4.21Å; V230-Q260 PolarHBondContact O-N 3.45Å; L231-Q260 HydrophobicContact CD1-CB 4.45Å; L231-Q260 HydrophobicContact CD1-CG 4.04Å; L231-Q260 HydrophobicContact CG-CB 4.24Å; L231-Q260 HydrophobicContact CG-CG 4.37Å; W232-Q260 PolarHBondContact N-O 2.86Å; N257-Q260 PolarHBondContact OD1-NE2 3.16Å; Q260-V262 HydrophobicContact CB-CG1 4.12Å; Q260-V262 PolarHBondContact O-N 3.48Å
261	F	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	98.5	178.7	-168.2	-96.9	0	0	0	108.9	I64 C66 V67 W232 P234 M239 Y243 Y246 P263	I64-F261 HydrophobicContact CG2-CE1 3.79Å; C66-F261 CarbonylContact C-O 3.55Å; C66-F261 VanDerWaalsContact CA-O 3.31Å; C66-F261 WeakPolarHBondContact CA-O 3.24Å; V67-F261 HydrophobicContact CB-CB 4.14Å; V67-F261 HydrophobicContact CG2-CB 4.45Å; V67-F261 PolarHBondContact N-O 3.44Å; V67-F261 PolarHBondContact O-N 2.89Å; W232-F261 HydrophobicContact CD2-CD2 4.33Å; W232-F261 HydrophobicContact CD2-CE2 4.46Å; W232-F261 AromaticContact CE3-CD2 3.73Å; W232-F261 HydrophobicContact CE3-CD2 3.73Å; W232-F261 HydrophobicContact CE3-CE2 4.02Å; W232-F261 HydrophobicContact CH2-CE2 4.21Å; W232-F261 AromaticContact CZ3-CD2 3.95Å; W232-F261 HydrophobicContact CZ3-CD2 3.95Å; W232-F261 AromaticContact CZ3-CE2 3.9Å; W232-F261 HydrophobicContact CZ3-CE2 3.9Å; P234-F261 HydrophobicContact CB-CE2 4.29Å; P234-F261 HydrophobicContact CB-CZ 4.35Å; P234-F261 HydrophobicContact CG-CE1 4.22Å; P234-F261 HydrophobicContact CG-CE2 3.79Å; P234-F261 HydrophobicContact CG-CZ 3.64Å; M239-F261 HydrophobicContact SD-CE1 3.74Å; M239-F261 HydrophobicContact SD-CZ 3.67Å; Y243-F261 AromaticContact CD2-CD1 3.85Å; Y243-F261 HydrophobicContact CD2-CD1 3.85Å; Y243-F261 AromaticContact CD2-CE1 3.67Å; Y243-F261 HydrophobicContact CD2-CE1 3.67Å; Y243-F261 HydrophobicContact CD2-CE2 4.48Å; Y243-F261 HydrophobicContact CD2-CG 4.33Å; Y243-F261 AromaticContact CD2-CZ 4Å; Y243-F261 HydrophobicContact CD2-CZ 4Å; Y243-F261 HydrophobicContact CE2-CD1 4.39Å; Y243-F261 HydrophobicContact CG-CE1 4.33Å; Y243-F261 HydrophobicContact CG-CZ 4.4Å; Y246-F261 HydrophobicContact CD1-CB 4.03Å; Y246-F261 HydrophobicContact CD1-CD2 4.38Å; Y246-F261 HydrophobicContact CD1-CG 4.24Å; Y246-F261 HydrophobicContact CD2-CB 4.01Å; Y246-F261 HydrophobicContact CD2-CD2 4.2Å; Y246-F261 HydrophobicContact CD2-CG 4.49Å; Y246-F261 HydrophobicContact CE1-CB 4.03Å; Y246-F261 HydrophobicContact CE2-CB 4.03Å; Y246-F261 HydrophobicContact CG-CB 4.01Å; Y246-F261 AromaticContact CG-CD2 3.85Å; Y246-F261 HydrophobicContact CG-CD2 3.85Å; Y246-F261 HydrophobicContact CG-CG 4.13Å; F261-P263 HydrophobicContact CD1-CG 4.09Å; F261-P263 HydrophobicContact CE1-CG 3.76Å; F261-P263 WeakPolarHBondContact O-CD 3.3Å
262	V	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.157	C	C	.	.			trans	-128.5	73.9	-167.7	-70.7	0	0	0	0	111.6	V68 A97 L102 A105 L231 W232 Q260 A264 F269	V68-V262 HydrophobicContact CG2-CG1 4.44Å; A97-V262 HydrophobicContact CB-CB 4.33Å; L102-V262 HydrophobicContact CD2-CB 3.84Å; L102-V262 HydrophobicContact CD2-CG1 4.35Å; L102-V262 HydrophobicContact CD2-CG2 3.95Å; A105-V262 HydrophobicContact CB-CG1 4.09Å; L231-V262 HydrophobicContact CB-CG2 4.02Å; L231-V262 HydrophobicContact CD2-CG2 4.38Å; L231-V262 HydrophobicContact CG-CG2 4.15Å; W232-V262 WeakPolarHBondContact O-CG2 3.37Å; W232-V262 PolarHBondContact O-N 2.8Å; Q260-V262 HydrophobicContact CB-CG1 4.12Å; Q260-V262 PolarHBondContact O-N 3.48Å; V262-A264 PolarHBondContact O-N 3.16Å; V262-F269 HydrophobicContact CG2-CE2 3.95Å
263	P	98.9	Very high	98.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.155	C	C	.	.			trans	-49.7	136.1	164.4	-24.7	35.5	0	0	0	109.9	F94 Y96 A97 P234 M239 F261	F94-P263 HydrophobicContact CD2-CB 3.74Å; F94-P263 HydrophobicContact CD2-CG 4.33Å; F94-P263 HydrophobicContact CE2-CB 4.05Å; Y96-P263 CarbonylContact C-O 3.53Å; Y96-P263 WeakPolarHBondContact CA-O 3.32Å; A97-P263 WeakPolarHBondContact CB-O 3.5Å; A97-P263 PolarHBondContact N-O 2.89Å; P234-P263 HydrophobicContact CG-CG 4.07Å; M239-P263 HydrophobicContact CE-CB 3.66Å; M239-P263 HydrophobicContact CE-CG 3.73Å; M239-P263 HydrophobicContact SD-CB 4.09Å; M239-P263 HydrophobicContact SD-CG 3.45Å; M239-P263 WeakPolarHBondContact SD-CG 3.43Å; F261-P263 HydrophobicContact CD1-CG 4.09Å; F261-P263 HydrophobicContact CE1-CG 3.76Å; F261-P263 WeakPolarHBondContact O-CD 3.3Å
264	A	98.8	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.135	C	C	.	.			trans	-158.8	160.8	-176.5	0	0	0	0	0	110.2	Y96 A97 L102 K233 V262 F269	Y96-A264 VanDerWaalsContact CE1-C 3.49Å; Y96-A264 WeakPolarHBondContact CE1-O 3.27Å; A97-A264 HydrophobicContact CB-CB 4.43Å; L102-A264 HydrophobicContact CD1-CB 4.4Å; K233-A264 WeakPolarHBondContact CE-O 3.25Å; K233-A264 HydrophobicContact CG-CB 4.5Å; V262-A264 PolarHBondContact O-N 3.16Å; A264-F269 HydrophobicContact CB-CB 3.97Å; A264-F269 HydrophobicContact CB-CD2 4.08Å; A264-F269 HydrophobicContact CB-CG 4.47Å
265	D	98.5	Very high	98.7	Very high	66 Å²	66	24 Å²	24	35%	0.353	15%	0.15	S	C	.	.			trans	-59.7	138.9	165.3	171.3	64.4	0	0	0	110.1	Y96 P267 L268 F269	Y96-D265 HydrophobicContact CD2-CB 4.13Å; Y96-D265 HydrophobicContact CE2-CB 4.18Å; D265-P267 VanDerWaalsContact OD2-CD 3.27Å; D265-P267 WeakPolarHBondContact OD2-CD 3.24Å; D265-L268 HydrophobicContact CB-CB 4.06Å; D265-L268 PolarHBondContact O-N 3.17Å; D265-L268 PolarHBondContact OD2-N 3.26Å; D265-L268 VanDerWaalsContact OD2-N 3.09Å; D265-F269 VanDerWaalsContact O-CB 3.3Å; D265-F269 WeakPolarHBondContact O-CB 3.27Å; D265-F269 PolarHBondContact O-N 2.95Å
266	G	98	Very high	98.7	Very high	36 Å²	36	22.8 Å²	22.8	37%	0.371	14%	0.143	S	C	.	.	H	α-helix	trans	-59.8	-58.4	-172.4	0	0	0	0	0	113.4	F269 G270	G266-F269 PolarHBondContact O-N 3.1Å; G266-G270 PolarHBondContact O-N 3.38Å
267	P	98.4	Very high	98.7	Very high	79 Å²	79	25 Å²	25	51%	0.513	15%	0.149	S	C	.	.	H	α-helix	trans	-52.8	-50.3	171.9	-29.3	35.2	0	0	0	113.6	D265 F269 G270 D271	D265-P267 VanDerWaalsContact OD2-CD 3.27Å; D265-P267 WeakPolarHBondContact OD2-CD 3.24Å; P267-F269 VanDerWaalsContact C-N 3.31Å; P267-F269 PolarHBondContact O-N 3.42Å; P267-G270 PolarHBondContact O-N 2.95Å; P267-G270 VanDerWaalsContact O-N 3.14Å; P267-D271 WeakPolarHBondContact O-CB 3.19Å; P267-D271 VanDerWaalsContact O-CG 3.29Å; P267-D271 PolarHBondContact O-N 2.87Å
268	L	98.7	Very high	98.8	Very high	60 Å²	60	26 Å²	26	31%	0.314	15%	0.152	S	C	.	.	H	α-helix	trans	-60.6	-39.4	-179.2	-178	138.3	0	0	0	112.7	A97 L102 D265 T272	A97-L268 WeakPolarHBondContact O-CD2 3.2Å; L102-L268 HydrophobicContact CD1-CD2 3.7Å; D265-L268 HydrophobicContact CB-CB 4.06Å; D265-L268 PolarHBondContact O-N 3.17Å; D265-L268 PolarHBondContact OD2-N 3.26Å; D265-L268 VanDerWaalsContact OD2-N 3.09Å; L268-T272 WeakPolarHBondContact O-CB 3.49Å; L268-T272 PolarHBondContact O-N 3.31Å; L268-T272 PolarHBondContact O-OG1 3.03Å
269	F	98.9	Very high	98.8	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-49.7	173.8	-176.2	-94	0	0	0	111.3	L102 A205 I207 L231 K233 V262 A264 D265 G266 P267 T272 V273	L102-F269 HydrophobicContact CD1-CD2 4.13Å; L102-F269 HydrophobicContact CD2-CD2 3.79Å; L102-F269 HydrophobicContact CD2-CE2 4.03Å; A205-F269 HydrophobicContact CB-CE1 4Å; A205-F269 HydrophobicContact CB-CZ 4.14Å; I207-F269 HydrophobicContact CD1-CD1 3.93Å; I207-F269 HydrophobicContact CD1-CE1 3.77Å; I207-F269 HydrophobicContact CG1-CD1 3.99Å; I207-F269 HydrophobicContact CG1-CE1 3.52Å; I207-F269 HydrophobicContact CG1-CZ 4.49Å; L231-F269 HydrophobicContact CB-CE2 4.31Å; L231-F269 HydrophobicContact CB-CZ 4.25Å; K233-F269 HydrophobicContact CB-CD1 4.06Å; K233-F269 HydrophobicContact CB-CD2 3.83Å; K233-F269 HydrophobicContact CB-CE1 3.92Å; K233-F269 HydrophobicContact CB-CE2 3.69Å; K233-F269 HydrophobicContact CB-CG 4.01Å; K233-F269 HydrophobicContact CB-CZ 3.72Å; K233-F269 HydrophobicContact CD-CB 3.93Å; K233-F269 HydrophobicContact CD-CD1 3.96Å; K233-F269 HydrophobicContact CD-CD2 4.34Å; K233-F269 HydrophobicContact CD-CG 3.81Å; K233-F269 HydrophobicContact CG-CD1 4.5Å; K233-F269 HydrophobicContact CG-CD2 4.21Å; K233-F269 HydrophobicContact CG-CG 4.19Å; V262-F269 HydrophobicContact CG2-CE2 3.95Å; A264-F269 HydrophobicContact CB-CB 3.97Å; A264-F269 HydrophobicContact CB-CD2 4.08Å; A264-F269 HydrophobicContact CB-CG 4.47Å; D265-F269 VanDerWaalsContact O-CB 3.3Å; D265-F269 WeakPolarHBondContact O-CB 3.27Å; D265-F269 PolarHBondContact O-N 2.95Å; G266-F269 PolarHBondContact O-N 3.1Å; P267-F269 VanDerWaalsContact C-N 3.31Å; P267-F269 PolarHBondContact O-N 3.42Å; F269-T272 PolarHBondContact O-N 2.88Å; F269-V273 HydrophobicContact CD1-CG1 4.29Å; F269-V273 HydrophobicContact CD1-CG2 4.39Å; F269-V273 HydrophobicContact CD2-CG1 4.42Å; F269-V273 HydrophobicContact CE1-CG1 3.91Å; F269-V273 HydrophobicContact CE1-CG2 4.23Å; F269-V273 HydrophobicContact CE2-CG1 4.04Å; F269-V273 HydrophobicContact CZ-CG1 3.78Å; F269-V273 WeakPolarHBondContact O-CG2 3.24Å; F269-V273 PolarHBondContact O-N 2.83Å
270	G	98.7	Very high	98.7	Very high	2 Å²	2	26 Å²	26	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-57.3	-49.6	178.3	0	0	0	0	0	112.5	G266 P267 T272 T274	G266-G270 PolarHBondContact O-N 3.38Å; P267-G270 PolarHBondContact O-N 2.95Å; P267-G270 VanDerWaalsContact O-N 3.14Å; G270-T272 VanDerWaalsContact C-N 3.3Å; G270-T272 PolarHBondContact O-N 2.63Å; G270-T274 WeakPolarHBondContact O-CB 3.15Å; G270-T274 VanDerWaalsContact O-CG2 3.27Å; G270-T274 WeakPolarHBondContact O-CG2 3.27Å; G270-T274 PolarHBondContact O-N 3.07Å; G270-T274 PolarHBondContact O-OG1 2.79Å
271	D	98.7	Very high	98.8	Very high	74 Å²	74	26 Å²	26	40%	0.396	15%	0.152	S	C	.	.	H	α-helix	trans	-58.2	-42.9	177.2	-71.5	-2.6	0	0	0	111.7	P267 S275 Q297	P267-D271 WeakPolarHBondContact O-CB 3.19Å; P267-D271 VanDerWaalsContact O-CG 3.29Å; P267-D271 PolarHBondContact O-N 2.87Å; D271-S275 WeakPolarHBondContact O-CB 3.46Å; D271-S275 PolarHBondContact O-N 2.89Å; D271-S275 PolarHBondContact O-OG 3.22Å; D271-Q297 PolarHBondContact OD1-NE2 3.22Å
272	T	98.9	Very high	98.8	Very high	3 Å²	3	26 Å²	26	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-69.8	-51.4	-177.3	-55.9	0	0	0	0	111.3	K99 L102 L268 F269 G270 T274 S275 S276	K99-T272 HydrophobicContact CG-CG2 4.1Å; L102-T272 HydrophobicContact CB-CG2 3.72Å; L102-T272 HydrophobicContact CD1-CG2 4.13Å; L268-T272 WeakPolarHBondContact O-CB 3.49Å; L268-T272 PolarHBondContact O-N 3.31Å; L268-T272 PolarHBondContact O-OG1 3.03Å; F269-T272 PolarHBondContact O-N 2.88Å; G270-T272 VanDerWaalsContact C-N 3.3Å; G270-T272 PolarHBondContact O-N 2.63Å; T272-T274 PolarHBondContact O-N 3.2Å; T272-S275 PolarHBondContact O-N 3.22Å; T272-S276 PolarHBondContact O-N 3.36Å
273	V	98.9	Very high	98.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.5	-37.9	-176.7	-58.2	0	0	0	0	112.2	F203 A205 F269 S275 S276	F203-V273 HydrophobicContact CE2-CB 3.99Å; F203-V273 HydrophobicContact CE2-CG1 3.95Å; F203-V273 HydrophobicContact CZ-CB 4Å; F203-V273 HydrophobicContact CZ-CG1 4.27Å; A205-V273 HydrophobicContact CB-CB 4.16Å; A205-V273 HydrophobicContact CB-CG1 4.16Å; A205-V273 HydrophobicContact CB-CG2 3.99Å; F269-V273 HydrophobicContact CD1-CG1 4.29Å; F269-V273 HydrophobicContact CD1-CG2 4.39Å; F269-V273 HydrophobicContact CD2-CG1 4.42Å; F269-V273 HydrophobicContact CE1-CG1 3.91Å; F269-V273 HydrophobicContact CE1-CG2 4.23Å; F269-V273 HydrophobicContact CE2-CG1 4.04Å; F269-V273 HydrophobicContact CZ-CG1 3.78Å; F269-V273 WeakPolarHBondContact O-CG2 3.24Å; F269-V273 PolarHBondContact O-N 2.83Å; V273-S275 PolarHBondContact O-N 2.8Å; V273-S276 PolarHBondContact O-N 3.44Å
274	T	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-75.9	-9.6	177.6	63.3	0	0	0	0	113.3	G270 T272 L279 I282 L294 Q297 V298 N301 F305	G270-T274 WeakPolarHBondContact O-CB 3.15Å; G270-T274 VanDerWaalsContact O-CG2 3.27Å; G270-T274 WeakPolarHBondContact O-CG2 3.27Å; G270-T274 PolarHBondContact O-N 3.07Å; G270-T274 PolarHBondContact O-OG1 2.79Å; T272-T274 PolarHBondContact O-N 3.2Å; T274-L279 HydrophobicContact CG2-CD2 4.29Å; T274-I282 HydrophobicContact CG2-CD1 4.17Å; T274-L294 HydrophobicContact CG2-CD2 4.39Å; T274-Q297 HydrophobicContact CG2-CB 3.94Å; T274-V298 HydrophobicContact CG2-CG2 3.9Å; T274-N301 PolarHBondContact O-ND2 2.89Å; T274-F305 WeakPolarHBondContact O-CZ 3.39Å
275	S	98.8	Very high	98.7	Very high	48 Å²	48	26.9 Å²	26.9	34%	0.336	16%	0.157	S	C	.	.	H	α-helix	trans	-89.6	-15.7	173.9	-68.7	0	0	0	0	114	D271 T272 V273 R304	D271-S275 WeakPolarHBondContact O-CB 3.46Å; D271-S275 PolarHBondContact O-N 2.89Å; D271-S275 PolarHBondContact O-OG 3.22Å; T272-S275 PolarHBondContact O-N 3.22Å; V273-S275 PolarHBondContact O-N 2.8Å; S275-R304 VanDerWaalsContact O-CD 3.24Å; S275-R304 WeakPolarHBondContact O-CD 3.35Å; S275-R304 PolarHBondContact O-NH1 3.28Å
276	S	98.8	Very high	98.7	Very high	18 Å²	18	25.1 Å²	25.1	13%	0.126	15%	0.154	C	C	.	.			trans	-80.6	131.8	-179.1	-179.8	0	0	0	0	111.8	T272 V273 H278 L279 F305	T272-S276 PolarHBondContact O-N 3.36Å; V273-S276 PolarHBondContact O-N 3.44Å; S276-H278 PolarHBondContact O-N 2.94Å; S276-H278 VanDerWaalsContact O-N 3.13Å; S276-H278 PolarHBondContact OG-N 2.92Å; S276-L279 PolarHBondContact O-N 2.75Å; S276-F305 WeakPolarHBondContact O-CD1 3.21Å; S276-F305 WeakPolarHBondContact O-CE1 3.44Å
277	E	98.8	Very high	98.6	Very high	96 Å²	96	25.8 Å²	25.8	45%	0.449	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.4	174.3	63.5	-173.9	145.7	0	0	114	R304 F305 H306	E277-R304 WeakPolarHBondContact CA-O 3.37Å; E277-R304 WeakPolarHBondContact CB-O 3.25Å; E277-F305 WeakPolarHBondContact O-CA 3.45Å; E277-H306 PolarHBondContact O-N 2.9Å; E277-H306 IonicContact OE2-CE1 3.52Å; E277-H306 PolarHBondContact OE2-CE1 2.62Å; E277-H306 IonicContact OE2-ND1 2.65Å; E277-H306 IonicContact OE2-NE2 3.26Å
278	H	98.9	Very high	98.6	Very high	60 Å²	60	23.1 Å²	23.1	28%	0.278	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	3.9	-177.2	-57.6	-53.1	0	0	0	114.2	L110 G202 F203 S276 C280 H306	L110-H278 HydrophobicContact CD1-CB 3.69Å; L110-H278 WeakPolarHBondContact CD1-CD2 3.25Å; L110-H278 HydrophobicContact CD2-CB 3.99Å; L110-H278 HydrophobicContact CG-CB 4.48Å; G202-H278 CarbonylContact C-O 3.54Å; G202-H278 WeakPolarHBondContact CA-O 3.33Å; F203-H278 HydrophobicContact CD1-CB 4.12Å; F203-H278 WeakPolarHBondContact CD1-O 3.13Å; F203-H278 HydrophobicContact CE1-CB 4.34Å; F203-H278 PolarHBondContact N-O 2.88Å; S276-H278 PolarHBondContact O-N 2.94Å; S276-H278 VanDerWaalsContact O-N 3.13Å; S276-H278 PolarHBondContact OG-N 2.92Å; H278-C280 PolarHBondContact O-N 2.82Å; H278-H306 AromaticContact CE1-CD2 3.69Å; H278-H306 AromaticContact CE1-NE2 3.15Å; H278-H306 PolarHBondContact CE1-NE2 2.86Å; H278-H306 AromaticContact ND1-CD2 3.28Å; H278-H306 PolarHBondContact ND1-CD2 2.93Å; H278-H306 VanDerWaalsContact ND1-CD2 3.28Å; H278-H306 AromaticContact ND1-NE2 3.24Å; H278-H306 PolarHBondContact ND1-NE2 2.86Å
279	L	98.9	Very high	98.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	122	173.9	179.2	67.5	0	0	0	109.5	F203 A205 T274 S276 G281 I282 V298 F305 P309	F203-L279 HydrophobicContact CE1-CB 4.22Å; F203-L279 HydrophobicContact CE2-CD1 3.97Å; F203-L279 HydrophobicContact CZ-CB 4.21Å; F203-L279 HydrophobicContact CZ-CD1 3.95Å; A205-L279 HydrophobicContact CB-CD1 4.3Å; T274-L279 HydrophobicContact CG2-CD2 4.29Å; S276-L279 PolarHBondContact O-N 2.75Å; L279-G281 WeakPolarHBondContact CD1-O 3.28Å; L279-I282 HydrophobicContact CD1-CG1 4.21Å; L279-I282 HydrophobicContact CD2-CD1 4.2Å; L279-I282 HydrophobicContact CD2-CG1 4.2Å; L279-V298 HydrophobicContact CD2-CG2 3.99Å; L279-F305 HydrophobicContact CB-CD1 4.02Å; L279-F305 HydrophobicContact CB-CE1 3.78Å; L279-F305 HydrophobicContact CD2-CE1 4.08Å; L279-F305 HydrophobicContact CD2-CZ 4.28Å; L279-F305 HydrophobicContact CG-CE1 4.49Å; L279-P309 HydrophobicContact CD2-CB 4.31Å; L279-P309 HydrophobicContact CD2-CG 4.47Å; L279-P309 HydrophobicContact CG-CB 4.23Å; L279-P309 HydrophobicContact CG-CG 4.46Å; L279-P309 WeakPolarHBondContact O-CG 3.39Å
280	C	98.9	Very high	98.5	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-12.9	177.9	69.8	0	0	0	0	113.5	L200 E201 G202 F203 H278 T307 P309 R310	L200-C280 HydrophobicContact CB-CB 3.98Å; L200-C280 WeakPolarHBondContact CB-SG 3.45Å; E201-C280 WeakPolarHBondContact O-CB 3.44Å; G202-C280 VanDerWaalsContact C-SG 3.58Å; F203-C280 PolarHBondContact N-SG 3.09Å; F203-C280 PolarHBondContact O-N 3.28Å; F203-C280 PolarHBondContact O-SG 3.01Å; H278-C280 PolarHBondContact O-N 2.82Å; C280-T307 HydrophobicContact CB-CG2 4.26Å; C280-P309 WeakPolarHBondContact O-CA 3.41Å; C280-R310 PolarHBondContact O-N 3.01Å
281	G	98.9	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	159.5	171.1	0	0	0	0	0	115	V204 A205 L279 R310	V204-G281 CarbonylContact C-O 3.48Å; V204-G281 WeakPolarHBondContact CA-O 3.36Å; A205-G281 PolarHBondContact N-O 3.42Å; L279-G281 WeakPolarHBondContact CD1-O 3.28Å; G281-R310 CarbonylContact C-O 3.53Å; G281-R310 WeakPolarHBondContact CA-O 3.23Å
282	I	99	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.1	171.9	-59.4	176.6	0	0	0	107.2	A205 I207 T274 L279 F284 L294 V298 R310 L311 A312	A205-I282 HydrophobicContact CB-CG1 4.39Å; A205-I282 CarbonylContact O-C 3.56Å; A205-I282 WeakPolarHBondContact O-CA 3.38Å; I207-I282 HydrophobicContact CD1-CG2 4.29Å; T274-I282 HydrophobicContact CG2-CD1 4.17Å; L279-I282 HydrophobicContact CD1-CG1 4.21Å; L279-I282 HydrophobicContact CD2-CD1 4.2Å; L279-I282 HydrophobicContact CD2-CG1 4.2Å; I282-F284 HydrophobicContact CG2-CB 4.08Å; I282-L294 HydrophobicContact CD1-CB 4.23Å; I282-L294 HydrophobicContact CG2-CD1 4.4Å; I282-V298 HydrophobicContact CD1-CG2 3.98Å; I282-R310 PolarHBondContact N-O 2.88Å; I282-L311 HydrophobicContact CB-CG 4.25Å; I282-L311 HydrophobicContact CD1-CG 4.34Å; I282-A312 PolarHBondContact O-N 3.45Å
283	N	98.9	Very high	98.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.011	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	102.6	174.9	-159.3	10.4	0	0	0	108.8	V204 A205 A206 I207 L219 Y537 W541	V204-N283 HydrophobicContact CG1-CB 4.27Å; A205-N283 PolarHBondContact O-N 3.4Å; A206-N283 WeakPolarHBondContact CA-O 3.3Å; I207-N283 PolarHBondContact N-O 2.96Å; L219-N283 VanDerWaalsContact CA-ND2 3.33Å; L219-N283 WeakPolarHBondContact CA-ND2 3.09Å; L219-N283 HydrophobicContact CD2-CB 4.32Å; L219-N283 WeakPolarHBondContact CD2-OD1 3.4Å; L219-N283 PolarHBondContact O-ND2 2.82Å; N283-Y537 VanDerWaalsContact CG-OH 3.26Å; N283-Y537 PolarHBondContact ND2-OH 2.93Å; N283-Y537 PolarHBondContact OD1-OH 3.27Å; N283-W541 HydrophobicContact CB-CH2 3.63Å; N283-W541 HydrophobicContact CB-CZ2 3.72Å; N283-W541 HydrophobicContact CB-CZ3 4.47Å; N283-W541 WeakPolarHBondContact ND2-CZ2 3.32Å; N283-W541 VanDerWaalsContact OD1-CZ2 3.27Å; N283-W541 WeakPolarHBondContact OD1-CZ2 3.49Å
284	F	98.9	Very high	98.5	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.4	-165	175.4	-89.1	0	0	0	111.7	I207 I282 G286 T290 F291 L294 A312 G313 E314	I207-F284 HydrophobicContact CB-CD2 3.85Å; I207-F284 HydrophobicContact CD1-CD2 4.21Å; I207-F284 HydrophobicContact CG2-CD2 3.81Å; I207-F284 HydrophobicContact CG2-CE2 3.99Å; I282-F284 HydrophobicContact CG2-CB 4.08Å; F284-G286 VanDerWaalsContact CE1-CA 3.49Å; F284-G286 VanDerWaalsContact CE1-N 3.25Å; F284-G286 VanDerWaalsContact CZ-CA 3.45Å; F284-T290 HydrophobicContact CE2-CG2 3.61Å; F284-T290 HydrophobicContact CZ-CG2 3.81Å; F284-F291 HydrophobicContact CB-CD2 4.01Å; F284-F291 HydrophobicContact CB-CE2 4.29Å; F284-F291 HydrophobicContact CD1-CB 3.83Å; F284-F291 AromaticContact CD1-CD2 3.61Å; F284-F291 HydrophobicContact CD1-CD2 3.61Å; F284-F291 HydrophobicContact CD1-CG 4.01Å; F284-F291 HydrophobicContact CE1-CB 3.65Å; F284-F291 HydrophobicContact CE1-CD2 4.32Å; F284-F291 HydrophobicContact CE1-CG 4.33Å; F284-F291 AromaticContact CG-CD2 3.92Å; F284-F291 HydrophobicContact CG-CD2 3.92Å; F284-F291 HydrophobicContact CZ-CB 4.35Å; F284-L294 HydrophobicContact CD2-CD1 3.82Å; F284-L294 HydrophobicContact CE2-CD1 4.14Å; F284-A312 PolarHBondContact N-O 3.2Å; F284-G313 CarbonylContact O-C 3.57Å; F284-G313 VanDerWaalsContact O-CA 3.27Å; F284-G313 WeakPolarHBondContact O-CA 3.29Å; F284-E314 PolarHBondContact O-N 3.08Å
285	T	98.6	Very high	98.5	Very high	11 Å²	11	41.5 Å²	41.5	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129	158.8	-59.7	0	0	0	0	109.3	I207 P209 I215 E314	I207-T285 PolarHBondContact O-N 2.85Å; I207-T285 VanDerWaalsContact O-N 3.12Å; P209-T285 HydrophobicContact CB-CG2 4.31Å; P209-T285 HydrophobicContact CG-CG2 3.76Å; I215-T285 HydrophobicContact CD1-CG2 4.5Å; I215-T285 HydrophobicContact CG2-CG2 4.34Å; T285-E314 VanDerWaalsContact CA-O 3.3Å; T285-E314 WeakPolarHBondContact CA-O 3.49Å; T285-E314 HydrophobicContact CG2-CB 4.01Å; T285-E314 VanDerWaalsContact CG2-OE2 3.24Å; T285-E314 WeakPolarHBondContact CG2-OE2 3.35Å
286	G	97.6	Very high	98.5	Very high	28 Å²	28	45.6 Å²	45.6	29%	0.289	23%	0.234	S	C	.	.	S	Bend	trans	166.7	-145.3	-174.3	0	0	0	0	0	112.6	F284 E314 C315	F284-G286 VanDerWaalsContact CE1-CA 3.49Å; F284-G286 VanDerWaalsContact CE1-N 3.25Å; F284-G286 VanDerWaalsContact CZ-CA 3.45Å; G286-E314 PolarHBondContact N-O 2.92Å; G286-C315 CarbonylContact O-C 3.51Å; G286-C315 VanDerWaalsContact O-CA 3.24Å; G286-C315 WeakPolarHBondContact O-CA 3.35Å
287	S	96.3	Very high	98.5	Very high	51 Å²	51	45.6 Å²	45.6	36%	0.357	23%	0.232	S	C	.	.			trans	-83.4	148.8	-174.2	81.9	0	0	0	0	113.9	P289 T290 F291	S287-P289 WeakPolarHBondContact OG-CD 3.42Å; S287-T290 PolarHBondContact O-N 3.31Å; S287-T290 WeakPolarHBondContact OG-CB 3.42Å; S287-T290 PolarHBondContact OG-N 3.38Å; S287-T290 PolarHBondContact OG-OG1 3.48Å; S287-F291 PolarHBondContact O-N 3.21Å
288	V	97.6	Very high	98.5	Very high	22 Å²	22	41.4 Å²	41.4	13%	0.133	21%	0.213	C	C	.	.	H	α-helix	trans	-52.5	-47.5	172.4	-177.8	0	0	0	0	112.4	T290 F291 K292 C315 Y476 A525	V288-T290 PolarHBondContact O-N 2.81Å; V288-F291 PolarHBondContact O-N 2.93Å; V288-K292 HydrophobicContact CG1-CD 4.02Å; V288-K292 HydrophobicContact CG1-CG 4.39Å; V288-K292 WeakPolarHBondContact O-CB 3.39Å; V288-K292 WeakPolarHBondContact O-CG 3.45Å; V288-K292 PolarHBondContact O-N 3.17Å; V288-C315 HydrophobicContact CG2-CB 3.81Å; V288-C315 VanDerWaalsContact CG2-O 3.27Å; V288-C315 WeakPolarHBondContact CG2-O 3.06Å; V288-Y476 HydrophobicContact CG2-CE1 3.91Å; V288-A525 HydrophobicContact CG2-CB 4.46Å; V288-A525 WeakPolarHBondContact CG2-O 3.46Å
289	P	97.7	Very high	98.5	Very high	95 Å²	95	41.4 Å²	41.4	62%	0.617	22%	0.223	S	C	*	.	H	α-helix	trans	-62	-41.9	180	-24.9	36.6	0	0	0	113.3	S287 K292 H293	S287-P289 WeakPolarHBondContact OG-CD 3.42Å; P289-K292 PolarHBondContact O-N 3.32Å; P289-H293 WeakPolarHBondContact O-CB 3.17Å; P289-H293 PolarHBondContact O-N 2.96Å
290	T	98.2	Very high	98.5	Very high	65 Å²	65	48.5 Å²	48.5	40%	0.399	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-45	178.6	-56.6	0	0	0	0	111.5	F284 S287 V288 K292 H293 L294	F284-T290 HydrophobicContact CE2-CG2 3.61Å; F284-T290 HydrophobicContact CZ-CG2 3.81Å; S287-T290 PolarHBondContact O-N 3.31Å; S287-T290 WeakPolarHBondContact OG-CB 3.42Å; S287-T290 PolarHBondContact OG-N 3.38Å; S287-T290 PolarHBondContact OG-OG1 3.48Å; V288-T290 PolarHBondContact O-N 2.81Å; T290-K292 PolarHBondContact O-N 3.38Å; T290-H293 WeakPolarHBondContact O-CB 3.4Å; T290-H293 PolarHBondContact O-N 2.82Å; T290-H293 VanDerWaalsContact O-N 3.17Å; T290-L294 HydrophobicContact CG2-CD1 4.28Å; T290-L294 WeakPolarHBondContact O-CG 3.4Å; T290-L294 PolarHBondContact O-N 2.79Å
291	F	98.7	Very high	98.5	Very high	15 Å²	15	49.6 Å²	49.6	7%	0.066	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-43.1	178.1	-171.9	-121.6	0	0	0	112.1	F284 S287 V288 H293 L294 W295 L311 C315 T528	F284-F291 HydrophobicContact CB-CD2 4.01Å; F284-F291 HydrophobicContact CB-CE2 4.29Å; F284-F291 HydrophobicContact CD1-CB 3.83Å; F284-F291 AromaticContact CD1-CD2 3.61Å; F284-F291 HydrophobicContact CD1-CD2 3.61Å; F284-F291 HydrophobicContact CD1-CG 4.01Å; F284-F291 HydrophobicContact CE1-CB 3.65Å; F284-F291 HydrophobicContact CE1-CD2 4.32Å; F284-F291 HydrophobicContact CE1-CG 4.33Å; F284-F291 AromaticContact CG-CD2 3.92Å; F284-F291 HydrophobicContact CG-CD2 3.92Å; F284-F291 HydrophobicContact CZ-CB 4.35Å; S287-F291 PolarHBondContact O-N 3.21Å; V288-F291 PolarHBondContact O-N 2.93Å; F291-H293 VanDerWaalsContact C-N 3.28Å; F291-H293 PolarHBondContact O-N 2.99Å; F291-L294 PolarHBondContact O-N 3.22Å; F291-W295 HydrophobicContact CD1-CE3 4.32Å; F291-W295 AromaticContact CE1-CE3 3.52Å; F291-W295 HydrophobicContact CE1-CE3 3.52Å; F291-W295 AromaticContact CE1-CZ3 3.62Å; F291-W295 HydrophobicContact CE1-CZ3 3.62Å; F291-W295 HydrophobicContact CE2-CE3 4.47Å; F291-W295 AromaticContact CZ-CE3 3.61Å; F291-W295 HydrophobicContact CZ-CE3 3.61Å; F291-W295 AromaticContact CZ-CZ3 3.67Å; F291-W295 HydrophobicContact CZ-CZ3 3.67Å; F291-W295 WeakPolarHBondContact O-CB 3.24Å; F291-W295 PolarHBondContact O-N 3.32Å; F291-L311 HydrophobicContact CE2-CB 4.14Å; F291-L311 HydrophobicContact CE2-CD2 4.46Å; F291-L311 HydrophobicContact CZ-CB 4.05Å; F291-C315 VanDerWaalsContact CB-SG 3.59Å; F291-C315 VanDerWaalsContact CD1-SG 3.59Å; F291-T528 HydrophobicContact CE1-CG2 4.06Å; F291-T528 HydrophobicContact CZ-CG2 3.97Å
292	K	98.6	Very high	98.5	Very high	124 Å²	124	53.1 Å²	53.1	54%	0.539	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-36	174.3	-75.6	-178.6	176.8	178	0	112.4	V288 P289 T290 K296	V288-K292 HydrophobicContact CG1-CD 4.02Å; V288-K292 HydrophobicContact CG1-CG 4.39Å; V288-K292 WeakPolarHBondContact O-CB 3.39Å; V288-K292 WeakPolarHBondContact O-CG 3.45Å; V288-K292 PolarHBondContact O-N 3.17Å; P289-K292 PolarHBondContact O-N 3.32Å; T290-K292 PolarHBondContact O-N 3.38Å; K292-K296 VanDerWaalsContact O-CG 3.29Å; K292-K296 WeakPolarHBondContact O-CG 3.33Å; K292-K296 PolarHBondContact O-N 3.29Å
293	H	98.7	Very high	98.4	Very high	95 Å²	95	61.1 Å²	61.1	44%	0.44	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-52.1	176.5	-180	74.1	0	0	0	111.1	P289 T290 F291 W295 K296 Q297	P289-H293 WeakPolarHBondContact O-CB 3.17Å; P289-H293 PolarHBondContact O-N 2.96Å; T290-H293 WeakPolarHBondContact O-CB 3.4Å; T290-H293 PolarHBondContact O-N 2.82Å; T290-H293 VanDerWaalsContact O-N 3.17Å; F291-H293 VanDerWaalsContact C-N 3.28Å; F291-H293 PolarHBondContact O-N 2.99Å; H293-W295 VanDerWaalsContact C-N 3.28Å; H293-W295 PolarHBondContact O-N 3.09Å; H293-K296 WeakPolarHBondContact O-CB 3.37Å; H293-K296 PolarHBondContact O-N 2.59Å; H293-K296 VanDerWaalsContact O-N 3.08Å; H293-Q297 PolarHBondContact CD2-OE1 2.9Å; H293-Q297 PolarHBondContact NE2-OE1 2.92Å; H293-Q297 WeakPolarHBondContact O-CG 3.28Å; H293-Q297 PolarHBondContact O-N 3.45Å
294	L	98.8	Very high	98.4	Very high	6 Å²	6	66 Å²	66	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-56.9	-42.1	175.9	-68.5	167.4	0	0	0	111.8	I207 T274 I282 F284 T290 F291 K296 Q297 V298	I207-L294 HydrophobicContact CD1-CD1 3.73Å; I207-L294 HydrophobicContact CD1-CD2 4.48Å; T274-L294 HydrophobicContact CG2-CD2 4.39Å; I282-L294 HydrophobicContact CD1-CB 4.23Å; I282-L294 HydrophobicContact CG2-CD1 4.4Å; F284-L294 HydrophobicContact CD2-CD1 3.82Å; F284-L294 HydrophobicContact CE2-CD1 4.14Å; T290-L294 HydrophobicContact CG2-CD1 4.28Å; T290-L294 WeakPolarHBondContact O-CG 3.4Å; T290-L294 PolarHBondContact O-N 2.79Å; F291-L294 PolarHBondContact O-N 3.22Å; L294-K296 PolarHBondContact O-N 2.86Å; L294-Q297 PolarHBondContact O-N 2.52Å; L294-V298 WeakPolarHBondContact O-CG2 3.45Å; L294-V298 PolarHBondContact O-N 2.91Å
295	W	98.8	Very high	98.4	Very high	127 Å²	127	66.6 Å²	66.6	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-59.7	-45.6	175.5	-161.4	-54.7	0	0	0	112.3	F291 H293 Q297 V298 A299 L311 T528	F291-W295 HydrophobicContact CD1-CE3 4.32Å; F291-W295 AromaticContact CE1-CE3 3.52Å; F291-W295 HydrophobicContact CE1-CE3 3.52Å; F291-W295 AromaticContact CE1-CZ3 3.62Å; F291-W295 HydrophobicContact CE1-CZ3 3.62Å; F291-W295 HydrophobicContact CE2-CE3 4.47Å; F291-W295 AromaticContact CZ-CE3 3.61Å; F291-W295 HydrophobicContact CZ-CE3 3.61Å; F291-W295 AromaticContact CZ-CZ3 3.67Å; F291-W295 HydrophobicContact CZ-CZ3 3.67Å; F291-W295 WeakPolarHBondContact O-CB 3.24Å; F291-W295 PolarHBondContact O-N 3.32Å; H293-W295 VanDerWaalsContact C-N 3.28Å; H293-W295 PolarHBondContact O-N 3.09Å; W295-Q297 VanDerWaalsContact C-N 3.35Å; W295-V298 PolarHBondContact O-N 3.32Å; W295-A299 PolarHBondContact O-N 3.1Å; W295-L311 VanDerWaalsContact CA-CD2 3.47Å; W295-L311 HydrophobicContact CB-CD2 3.74Å; W295-L311 HydrophobicContact CD2-CD2 3.79Å; W295-L311 HydrophobicContact CE3-CB 4.16Å; W295-L311 HydrophobicContact CE3-CD2 3.79Å; W295-L311 HydrophobicContact CG-CD2 3.8Å; W295-L311 HydrophobicContact CZ3-CB 4.2Å; W295-T528 HydrophobicContact CH2-CG2 4.4Å; W295-T528 HydrophobicContact CZ3-CG2 3.92Å
296	K	98.8	Very high	98.4	Very high	134 Å²	134	71.8 Å²	71.8	58%	0.583	37%	0.367	S	S	*	.	H	α-helix	trans	-63.7	-39.8	177	-74.7	173.6	178.8	-175.1	0	111.9	K292 H293 L294 A299 Q300	K292-K296 VanDerWaalsContact O-CG 3.29Å; K292-K296 WeakPolarHBondContact O-CG 3.33Å; K292-K296 PolarHBondContact O-N 3.29Å; H293-K296 WeakPolarHBondContact O-CB 3.37Å; H293-K296 PolarHBondContact O-N 2.59Å; H293-K296 VanDerWaalsContact O-N 3.08Å; L294-K296 PolarHBondContact O-N 2.86Å; K296-A299 PolarHBondContact O-N 3.45Å; K296-Q300 WeakPolarHBondContact O-CB 3.44Å; K296-Q300 WeakPolarHBondContact O-CG 3.48Å; K296-Q300 PolarHBondContact O-N 3.07Å
297	Q	98.8	Very high	98.4	Very high	17 Å²	17	73.7 Å²	73.7	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-62.5	-44.5	176.3	-68.9	-176.5	-66.9	0	0	111.6	D271 T274 H293 L294 W295 A299 Q300 N301	D271-Q297 PolarHBondContact OD1-NE2 3.22Å; T274-Q297 HydrophobicContact CG2-CB 3.94Å; H293-Q297 PolarHBondContact CD2-OE1 2.9Å; H293-Q297 PolarHBondContact NE2-OE1 2.92Å; H293-Q297 WeakPolarHBondContact O-CG 3.28Å; H293-Q297 PolarHBondContact O-N 3.45Å; L294-Q297 PolarHBondContact O-N 2.52Å; W295-Q297 VanDerWaalsContact C-N 3.35Å; Q297-A299 VanDerWaalsContact C-N 3.35Å; Q297-A299 PolarHBondContact O-N 2.72Å; Q297-Q300 PolarHBondContact O-N 3.29Å; Q297-N301 WeakPolarHBondContact O-CB 3.31Å; Q297-N301 PolarHBondContact O-N 2.89Å
298	V	98.8	Very high	98.6	Very high	8 Å²	8	78.9 Å²	78.9	5%	0.048	39%	0.39	C	S	.	.	H	α-helix	trans	-61.2	-44.1	174.1	170.7	0	0	0	0	111.1	T274 L279 I282 L294 W295 Q300 N301 L302 F305 P309 L311	T274-V298 HydrophobicContact CG2-CG2 3.9Å; L279-V298 HydrophobicContact CD2-CG2 3.99Å; I282-V298 HydrophobicContact CD1-CG2 3.98Å; L294-V298 WeakPolarHBondContact O-CG2 3.45Å; L294-V298 PolarHBondContact O-N 2.91Å; W295-V298 PolarHBondContact O-N 3.32Å; V298-Q300 PolarHBondContact O-N 2.87Å; V298-N301 CarbonylContact O-C 3.58Å; V298-N301 PolarHBondContact O-N 2.88Å; V298-L302 PolarHBondContact O-N 2.85Å; V298-L302 VanDerWaalsContact O-N 3.15Å; V298-F305 HydrophobicContact CB-CE2 4.45Å; V298-F305 HydrophobicContact CG1-CE2 3.95Å; V298-F305 HydrophobicContact CG1-CZ 4.49Å; V298-F305 HydrophobicContact CG2-CZ 4.49Å; V298-F305 WeakPolarHBondContact O-CE2 3.34Å; V298-P309 HydrophobicContact CG1-CB 4.01Å; V298-P309 HydrophobicContact CG1-CG 3.86Å; V298-L311 HydrophobicContact CB-CD1 4.37Å; V298-L311 HydrophobicContact CG1-CD1 4.09Å; V298-L311 HydrophobicContact CG2-CD1 4.15Å
299	A	98.8	Very high	98.6	Very high	60 Å²	60	78.6 Å²	78.6	50%	0.496	39%	0.389	S	S	.	.	H	α-helix	trans	-63.1	-39.6	177.2	0	0	0	0	0	112.8	W295 K296 Q297 N301	W295-A299 PolarHBondContact O-N 3.1Å; K296-A299 PolarHBondContact O-N 3.45Å; Q297-A299 VanDerWaalsContact C-N 3.35Å; Q297-A299 PolarHBondContact O-N 2.72Å; A299-N301 VanDerWaalsContact C-N 3.25Å; A299-N301 PolarHBondContact O-N 3.16Å
300	Q	98.7	Very high	98.7	Very high	150 Å²	150	76.8 Å²	76.8	70%	0.701	37%	0.369	S	S	*	.	H	α-helix	trans	-66.1	-28.4	176.8	-75.3	168.3	-9.3	0	0	112.8	K296 Q297 V298	K296-Q300 WeakPolarHBondContact O-CB 3.44Å; K296-Q300 WeakPolarHBondContact O-CG 3.48Å; K296-Q300 PolarHBondContact O-N 3.07Å; Q297-Q300 PolarHBondContact O-N 3.29Å; V298-Q300 PolarHBondContact O-N 2.87Å
301	N	98.7	Very high	98.7	Very high	26 Å²	26	74.4 Å²	74.4	14%	0.139	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	11	-175.9	-72.3	-18.7	0	0	0	113.3	T274 Q297 V298 A299 D303 R304 F305	T274-N301 PolarHBondContact O-ND2 2.89Å; Q297-N301 WeakPolarHBondContact O-CB 3.31Å; Q297-N301 PolarHBondContact O-N 2.89Å; V298-N301 CarbonylContact O-C 3.58Å; V298-N301 PolarHBondContact O-N 2.88Å; A299-N301 VanDerWaalsContact C-N 3.25Å; A299-N301 PolarHBondContact O-N 3.16Å; N301-D303 PolarHBondContact O-N 3.05Å; N301-R304 HydrophobicContact CB-CG 4.26Å; N301-R304 VanDerWaalsContact CG-NH2 3.34Å; N301-R304 VanDerWaalsContact O-CG 3.24Å; N301-R304 WeakPolarHBondContact O-CG 3.42Å; N301-R304 PolarHBondContact O-N 3.13Å; N301-R304 VanDerWaalsContact OD1-CZ 3.25Å; N301-R304 PolarHBondContact OD1-NH2 3.23Å; N301-F305 HydrophobicContact CB-CE2 3.82Å; N301-F305 HydrophobicContact CB-CZ 3.75Å; N301-F305 WeakPolarHBondContact O-CD2 3.4Å; N301-F305 WeakPolarHBondContact O-CE2 3.18Å
302	L	98.6	Very high	98.7	Very high	74 Å²	74	73.8 Å²	73.8	39%	0.387	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-54.1	-37.2	-167	-158.1	67.1	0	0	0	114	V298 R304 F305 F308	V298-L302 PolarHBondContact O-N 2.85Å; V298-L302 VanDerWaalsContact O-N 3.15Å; L302-R304 PolarHBondContact O-N 3.34Å; L302-F305 PolarHBondContact O-N 2.99Å; L302-F308 HydrophobicContact CD1-CD1 4.11Å; L302-F308 HydrophobicContact CD2-CD1 4.49Å; L302-F308 HydrophobicContact CD2-CE1 4.19Å; L302-F308 HydrophobicContact CG-CD1 4.49Å; L302-F308 HydrophobicContact CG-CE1 4.45Å
303	D	98.6	Very high	98.7	Very high	168 Å²	168	68.2 Å²	68.2	90%	0.898	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-67.6	-17.5	-177.9	-61.8	-32.7	0	0	0	114.3	N301	N301-D303 PolarHBondContact O-N 3.05Å
304	R	98.4	Very high	98.7	Very high	105 Å²	105	64.5 Å²	64.5	40%	0.396	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-88.4	-24.1	-178.4	86.7	-175.2	53.1	-165.8	-0.3	113.3	S275 E277 N301 L302	S275-R304 VanDerWaalsContact O-CD 3.24Å; S275-R304 WeakPolarHBondContact O-CD 3.35Å; S275-R304 PolarHBondContact O-NH1 3.28Å; E277-R304 WeakPolarHBondContact CA-O 3.37Å; E277-R304 WeakPolarHBondContact CB-O 3.25Å; N301-R304 HydrophobicContact CB-CG 4.26Å; N301-R304 VanDerWaalsContact CG-NH2 3.34Å; N301-R304 VanDerWaalsContact O-CG 3.24Å; N301-R304 WeakPolarHBondContact O-CG 3.42Å; N301-R304 PolarHBondContact O-N 3.13Å; N301-R304 VanDerWaalsContact OD1-CZ 3.25Å; N301-R304 PolarHBondContact OD1-NH2 3.23Å; L302-R304 PolarHBondContact O-N 3.34Å
305	F	98.7	Very high	98.6	Very high	17 Å²	17	64.3 Å²	64.3	8%	0.075	31%	0.311	C	S	.	.			trans	-78.1	140.9	-173.1	-54.6	-64.5	0	0	0	110.8	T274 S276 E277 L279 V298 N301 L302 T307 P309	T274-F305 WeakPolarHBondContact O-CZ 3.39Å; S276-F305 WeakPolarHBondContact O-CD1 3.21Å; S276-F305 WeakPolarHBondContact O-CE1 3.44Å; E277-F305 WeakPolarHBondContact O-CA 3.45Å; L279-F305 HydrophobicContact CB-CD1 4.02Å; L279-F305 HydrophobicContact CB-CE1 3.78Å; L279-F305 HydrophobicContact CD2-CE1 4.08Å; L279-F305 HydrophobicContact CD2-CZ 4.28Å; L279-F305 HydrophobicContact CG-CE1 4.49Å; V298-F305 HydrophobicContact CB-CE2 4.45Å; V298-F305 HydrophobicContact CG1-CE2 3.95Å; V298-F305 HydrophobicContact CG1-CZ 4.49Å; V298-F305 HydrophobicContact CG2-CZ 4.49Å; V298-F305 WeakPolarHBondContact O-CE2 3.34Å; N301-F305 HydrophobicContact CB-CE2 3.82Å; N301-F305 HydrophobicContact CB-CZ 3.75Å; N301-F305 WeakPolarHBondContact O-CD2 3.4Å; N301-F305 WeakPolarHBondContact O-CE2 3.18Å; L302-F305 PolarHBondContact O-N 2.99Å; F305-T307 WeakPolarHBondContact CB-O 3.44Å; F305-T307 PolarHBondContact O-N 3.01Å; F305-P309 HydrophobicContact CB-CG 4.18Å; F305-P309 HydrophobicContact CD1-CG 4.01Å; F305-P309 HydrophobicContact CD2-CG 3.54Å; F305-P309 HydrophobicContact CE1-CG 4.28Å; F305-P309 HydrophobicContact CE2-CG 3.84Å; F305-P309 HydrophobicContact CG-CG 3.64Å; F305-P309 HydrophobicContact CZ-CG 4.2Å
306	H	98.5	Very high	98.3	Very high	121 Å²	121	58.3 Å²	58.3	56%	0.56	29%	0.289	S	S	*	.	S	Bend	trans	-66.7	-21.8	174.1	-61.6	-33.6	0	0	0	113.5	E277 H278	E277-H306 PolarHBondContact O-N 2.9Å; E277-H306 IonicContact OE2-CE1 3.52Å; E277-H306 PolarHBondContact OE2-CE1 2.62Å; E277-H306 IonicContact OE2-ND1 2.65Å; E277-H306 IonicContact OE2-NE2 3.26Å; H278-H306 AromaticContact CE1-CD2 3.69Å; H278-H306 AromaticContact CE1-NE2 3.15Å; H278-H306 PolarHBondContact CE1-NE2 2.86Å; H278-H306 AromaticContact ND1-CD2 3.28Å; H278-H306 PolarHBondContact ND1-CD2 2.93Å; H278-H306 VanDerWaalsContact ND1-CD2 3.28Å; H278-H306 AromaticContact ND1-NE2 3.24Å; H278-H306 PolarHBondContact ND1-NE2 2.86Å
307	T	98.6	Very high	98.2	Very high	68 Å²	68	52 Å²	52	42%	0.417	26%	0.263	S	S	.	.	S	Bend	trans	-147.7	166.8	178.8	-168	0	0	0	0	109.8	C280 F305 P309	C280-T307 HydrophobicContact CB-CG2 4.26Å; F305-T307 WeakPolarHBondContact CB-O 3.44Å; F305-T307 PolarHBondContact O-N 3.01Å; T307-P309 WeakPolarHBondContact O-CD 3.5Å
308	F	98.8	Very high	98.2	Very high	160 Å²	160	51.3 Å²	51.3	70%	0.702	26%	0.259	S	S	*	.			trans	-73.4	113.6	178.6	-64.5	-86.9	0	0	0	110.7	L302 R310	L302-F308 HydrophobicContact CD1-CD1 4.11Å; L302-F308 HydrophobicContact CD2-CD1 4.49Å; L302-F308 HydrophobicContact CD2-CE1 4.19Å; L302-F308 HydrophobicContact CG-CD1 4.49Å; L302-F308 HydrophobicContact CG-CE1 4.45Å; F308-R310 PolarHBondContact O-N 2.88Å
309	P	98.9	Very high	98.2	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.104	26%	0.258	C	S	.	.			trans	-64.1	136.4	-178.4	-21.8	34.8	0	0	0	111.9	L279 C280 V298 F305 T307 L311	L279-P309 HydrophobicContact CD2-CB 4.31Å; L279-P309 HydrophobicContact CD2-CG 4.47Å; L279-P309 HydrophobicContact CG-CB 4.23Å; L279-P309 HydrophobicContact CG-CG 4.46Å; L279-P309 WeakPolarHBondContact O-CG 3.39Å; C280-P309 WeakPolarHBondContact O-CA 3.41Å; V298-P309 HydrophobicContact CG1-CB 4.01Å; V298-P309 HydrophobicContact CG1-CG 3.86Å; F305-P309 HydrophobicContact CB-CG 4.18Å; F305-P309 HydrophobicContact CD1-CG 4.01Å; F305-P309 HydrophobicContact CD2-CG 3.54Å; F305-P309 HydrophobicContact CE1-CG 4.28Å; F305-P309 HydrophobicContact CE2-CG 3.84Å; F305-P309 HydrophobicContact CG-CG 3.64Å; F305-P309 HydrophobicContact CZ-CG 4.2Å; T307-P309 WeakPolarHBondContact O-CD 3.5Å; P309-L311 HydrophobicContact CB-CD1 4.28Å
310	R	98.9	Very high	98.2	Very high	57 Å²	57	48.3 Å²	48.3	22%	0.215	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.6	179.3	-66.6	-176.6	-176.5	-170.5	7	110.9	L200 C280 G281 I282 F308 L539 R540 T542	L200-R310 VanDerWaalsContact CD2-CZ 3.48Å; C280-R310 PolarHBondContact O-N 3.01Å; G281-R310 CarbonylContact C-O 3.53Å; G281-R310 WeakPolarHBondContact CA-O 3.23Å; I282-R310 PolarHBondContact N-O 2.88Å; F308-R310 PolarHBondContact O-N 2.88Å; R310-L539 PolarHBondContact NH1-O 3.31Å; R310-R540 WeakPolarHBondContact CD-O 3.41Å; R310-R540 PolarHBondContact NH1-O 3.41Å; R310-T542 VanDerWaalsContact CZ-O 3.32Å; R310-T542 PolarHBondContact NH1-O 3Å; R310-T542 PolarHBondContact NH2-O 3.28Å
311	L	98.9	Very high	98.2	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.4	175.5	-77.6	67.1	0	0	0	110.1	I282 F291 W295 V298 P309	I282-L311 HydrophobicContact CB-CG 4.25Å; I282-L311 HydrophobicContact CD1-CG 4.34Å; F291-L311 HydrophobicContact CE2-CB 4.14Å; F291-L311 HydrophobicContact CE2-CD2 4.46Å; F291-L311 HydrophobicContact CZ-CB 4.05Å; W295-L311 VanDerWaalsContact CA-CD2 3.47Å; W295-L311 HydrophobicContact CB-CD2 3.74Å; W295-L311 HydrophobicContact CD2-CD2 3.79Å; W295-L311 HydrophobicContact CE3-CB 4.16Å; W295-L311 HydrophobicContact CE3-CD2 3.79Å; W295-L311 HydrophobicContact CG-CD2 3.8Å; W295-L311 HydrophobicContact CZ3-CB 4.2Å; V298-L311 HydrophobicContact CB-CD1 4.37Å; V298-L311 HydrophobicContact CG1-CD1 4.09Å; V298-L311 HydrophobicContact CG2-CD1 4.15Å; P309-L311 HydrophobicContact CB-CD1 4.28Å
312	A	98.8	Very high	98.3	Very high	2 Å²	2	40 Å²	40	2%	0.017	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.7	169	0	0	0	0	0	108.2	I282 F284 D530 W541	I282-A312 PolarHBondContact O-N 3.45Å; F284-A312 PolarHBondContact N-O 3.2Å; A312-D530 WeakPolarHBondContact CB-OD2 3.39Å; A312-W541 HydrophobicContact CB-CH2 3.67Å; A312-W541 HydrophobicContact CB-CZ2 3.68Å
313	G	98.3	Very high	98.3	Very high	7 Å²	7	36.4 Å²	36.4	7%	0.072	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.5	-173	0	0	0	0	0	112.4	F284 G527 T528	F284-G313 CarbonylContact O-C 3.57Å; F284-G313 VanDerWaalsContact O-CA 3.27Å; F284-G313 WeakPolarHBondContact O-CA 3.29Å; G313-G527 CarbonylContact O-C 3.45Å; G313-G527 WeakPolarHBondContact O-CA 3.37Å; G313-T528 PolarHBondContact N-OG1 3.01Å; G313-T528 PolarHBondContact O-N 2.95Å; G313-T528 PolarHBondContact O-OG1 3.07Å
314	E	98.2	Very high	98.3	Very high	17 Å²	17	28.8 Å²	28.8	8%	0.079	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.8	162.3	-164.8	-76.2	111.6	0	0	108.1	F284 T285 G286 G316 C348 L478 F520	F284-E314 PolarHBondContact O-N 3.08Å; T285-E314 VanDerWaalsContact CA-O 3.3Å; T285-E314 WeakPolarHBondContact CA-O 3.49Å; T285-E314 HydrophobicContact CG2-CB 4.01Å; T285-E314 VanDerWaalsContact CG2-OE2 3.24Å; T285-E314 WeakPolarHBondContact CG2-OE2 3.35Å; G286-E314 PolarHBondContact N-O 2.92Å; E314-G316 PolarHBondContact OE1-N 3.01Å; E314-C348 PolarHBondContact OE2-SG 3.28Å; E314-L478 WeakPolarHBondContact OE1-CD2 3.33Å; E314-F520 HydrophobicContact CG-CE1 4.26Å
315	C	97.2	Very high	98.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	14%	0.144	C	C	.	.			trans	-126.4	21.6	-158.9	-62	0	0	0	0	114.6	G286 V288 F291 A525 S526	G286-C315 CarbonylContact O-C 3.51Å; G286-C315 VanDerWaalsContact O-CA 3.24Å; G286-C315 WeakPolarHBondContact O-CA 3.35Å; V288-C315 HydrophobicContact CG2-CB 3.81Å; V288-C315 VanDerWaalsContact CG2-O 3.27Å; V288-C315 WeakPolarHBondContact CG2-O 3.06Å; F291-C315 VanDerWaalsContact CB-SG 3.59Å; F291-C315 VanDerWaalsContact CD1-SG 3.59Å; C315-A525 WeakPolarHBondContact CB-O 3.37Å; C315-S526 PolarHBondContact N-O 2.64Å
316	G	92.8	Very high	98.3	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	15%	0.153	C	C	.	.			trans	86.2	-175.7	176.7	0	0	0	0	0	114.3	E314 E447 Y476 S526	E314-G316 PolarHBondContact OE1-N 3.01Å; G316-E447 WeakPolarHBondContact CA-OE1 3.37Å; G316-Y476 WeakPolarHBondContact O-CD1 3.4Å; G316-S526 WeakPolarHBondContact O-CA 3.48Å; G316-S526 VanDerWaalsContact O-CB 3.22Å; G316-S526 WeakPolarHBondContact O-CB 3.4Å; G316-S526 PolarHBondContact O-OG 3.37Å
317	G	97.1	Very high	98.3	Very high	2 Å²	2	27 Å²	27	2%	0.021	13%	0.131	C	C	.	.			trans	-157.8	160.8	-173	0	0	0	0	0	114.2	E447	G317-E447 PolarHBondContact N-OE1 2.96Å; G317-E447 WeakPolarHBondContact O-CG 3.48Å
318	K	98.6	Very high	98.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	13%	0.127	C	C	.	.			trans	-118.7	70.9	165.6	-169	73.6	-176.4	178.8	0	108.9	S352 R353 I443 E446 T474 Y476	K318-S352 VanDerWaalsContact CD-OG 3.31Å; K318-S352 WeakPolarHBondContact CD-OG 3.35Å; K318-S352 VanDerWaalsContact CE-OG 3.28Å; K318-S352 WeakPolarHBondContact CE-OG 3.08Å; K318-S352 PolarHBondContact NZ-OG 2.94Å; K318-R353 HydrophobicContact CG-CG 4.2Å; K318-R353 VanDerWaalsContact O-CZ 3.22Å; K318-R353 PolarHBondContact O-NE 3.38Å; K318-R353 PolarHBondContact O-NH2 3.27Å; K318-I443 WeakPolarHBondContact CE-O 3.38Å; K318-I443 PolarHBondContact NZ-O 3.03Å; K318-E446 VanDerWaalsContact CD-O 3.24Å; K318-E446 WeakPolarHBondContact CD-O 3.43Å; K318-E446 WeakPolarHBondContact CE-O 3.48Å; K318-E446 PolarHBondContact NZ-O 3.29Å; K318-T474 HydrophobicContact CB-CG2 4.07Å; K318-T474 HydrophobicContact CG-CG2 3.95Å; K318-Y476 HydrophobicContact CB-CD2 3.6Å; K318-Y476 HydrophobicContact CB-CE2 4.22Å; K318-Y476 HydrophobicContact CB-CG 4.25Å
319	N	98.9	Very high	98.3	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	154	-164	-41	-68	0	0	0	112.7	C348 S349 A350 S352 R353 T479	N319-C348 PolarHBondContact ND2-O 2.72Å; N319-S349 WeakPolarHBondContact ND2-CA 3.46Å; N319-A350 WeakPolarHBondContact CB-O 3.27Å; N319-A350 PolarHBondContact ND2-N 2.65Å; N319-A350 PolarHBondContact ND2-O 3.29Å; N319-S352 PolarHBondContact O-N 2.93Å; N319-S352 VanDerWaalsContact O-N 3.14Å; N319-R353 PolarHBondContact O-N 2.83Å; N319-T479 WeakPolarHBondContact CA-O 3.14Å; N319-T479 VanDerWaalsContact CB-O 3.31Å; N319-T479 WeakPolarHBondContact CB-O 3.24Å; N319-T479 WeakPolarHBondContact CB-OG1 3.2Å; N319-T479 PolarHBondContact OD1-N 2.91Å; N319-T479 PolarHBondContact OD1-O 3.01Å; N319-T479 PolarHBondContact OD1-OG1 3.06Å; N319-T479 VanDerWaalsContact OD1-OG1 3.13Å
320	F	98.9	Very high	98.3	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.2	-172.4	65.2	-91.9	0	0	0	112.9	F322 R353 Y355 V470 G480 A481 L497 A500 A501 F504	F320-F322 HydrophobicContact CD2-CB 4.31Å; F320-R353 CarbonylContact C-O 3.59Å; F320-R353 VanDerWaalsContact CA-O 3.22Å; F320-R353 WeakPolarHBondContact CA-O 3.48Å; F320-R353 HydrophobicContact CB-CB 4.48Å; F320-Y355 HydrophobicContact CB-CD2 4.45Å; F320-Y355 HydrophobicContact CB-CE2 4.21Å; F320-V470 HydrophobicContact CB-CG1 4.18Å; F320-V470 HydrophobicContact CD1-CG1 3.67Å; F320-V470 HydrophobicContact CD2-CG1 3.52Å; F320-V470 HydrophobicContact CE1-CG1 3.83Å; F320-V470 HydrophobicContact CE2-CG1 3.72Å; F320-V470 HydrophobicContact CG-CG1 3.5Å; F320-V470 VanDerWaalsContact CG-CG1 3.5Å; F320-V470 HydrophobicContact CZ-CG1 3.85Å; F320-G480 CarbonylContact O-C 3.6Å; F320-G480 VanDerWaalsContact O-CA 3.26Å; F320-G480 WeakPolarHBondContact O-CA 3.3Å; F320-A481 PolarHBondContact O-N 3.4Å; F320-L497 HydrophobicContact CE2-CD1 3.72Å; F320-L497 HydrophobicContact CZ-CB 4.48Å; F320-L497 HydrophobicContact CZ-CD1 3.87Å; F320-L497 HydrophobicContact CZ-CD2 4.49Å; F320-A500 HydrophobicContact CE1-CB 3.96Å; F320-A500 HydrophobicContact CZ-CB 4.28Å; F320-A501 HydrophobicContact CE1-CB 4.26Å; F320-A501 HydrophobicContact CZ-CB 4.39Å; F320-F504 HydrophobicContact CE2-CE2 4.5Å; F320-F504 HydrophobicContact CZ-CE2 4.38Å
321	H	99	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122	156.8	-74.8	-172.8	0	0	0	108	T336 S339 R353 L354 Y355 F483 S510	H321-T336 PolarHBondContact ND1-OG1 3.19Å; H321-S339 VanDerWaalsContact CE1-CB 3.44Å; H321-S339 WeakPolarHBondContact CE1-CB 3.33Å; H321-S339 PolarHBondContact NE2-OG 3.39Å; H321-R353 PolarHBondContact N-O 3.29Å; H321-L354 HydrophobicContact CB-CD1 3.63Å; H321-L354 CarbonylContact O-C 3.5Å; H321-L354 WeakPolarHBondContact O-CA 3.18Å; H321-Y355 PolarHBondContact O-N 3.44Å; H321-F483 HydrophobicContact CB-CE2 4.27Å; H321-F483 AromaticContact CG-CE2 3.91Å; H321-F483 AromaticContact ND1-CE2 3.75Å; H321-S510 WeakPolarHBondContact NE2-CB 3.5Å; H321-S510 PolarHBondContact NE2-N 3.19Å; H321-S510 PolarHBondContact NE2-OG 3.4Å
322	F	99	Very high	98.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.3	174	177.1	-88.7	0	0	0	109.2	F320 H324 Y458 T466 L467 V470 A481 V482 F483	F320-F322 HydrophobicContact CD2-CB 4.31Å; F322-H324 HydrophobicContact CE1-CB 4.37Å; F322-Y458 HydrophobicContact CE2-CE1 4.1Å; F322-Y458 HydrophobicContact CZ-CE1 4.46Å; F322-T466 HydrophobicContact CD2-CG2 4.42Å; F322-T466 HydrophobicContact CE2-CG2 3.91Å; F322-L467 HydrophobicContact CD1-CD2 3.83Å; F322-L467 HydrophobicContact CD2-CD2 3.94Å; F322-L467 HydrophobicContact CE1-CD2 3.7Å; F322-L467 HydrophobicContact CE1-CG 4.2Å; F322-L467 HydrophobicContact CE2-CD2 3.81Å; F322-L467 HydrophobicContact CE2-CG 4.01Å; F322-L467 HydrophobicContact CG-CD2 3.94Å; F322-L467 HydrophobicContact CZ-CD2 3.68Å; F322-L467 HydrophobicContact CZ-CG 3.78Å; F322-V470 HydrophobicContact CD2-CG2 3.99Å; F322-A481 PolarHBondContact N-O 3.34Å; F322-V482 HydrophobicContact CB-CG2 4.27Å; F322-V482 HydrophobicContact CD1-CG1 4.27Å; F322-V482 HydrophobicContact CD1-CG2 4.19Å; F322-V482 CarbonylContact O-C 3.53Å; F322-V482 WeakPolarHBondContact O-CA 3.17Å; F322-F483 PolarHBondContact O-N 2.98Å
323	V	98.9	Very high	98.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129	-178.8	-175.7	0	0	0	0	108	A327 V332 L354 Y355 P357 L360 I364 Y458	V323-A327 HydrophobicContact CG1-CB 3.57Å; V323-V332 HydrophobicContact CG1-CG1 4.43Å; V323-V332 HydrophobicContact CG1-CG2 3.92Å; V323-V332 HydrophobicContact CG2-CG1 3.63Å; V323-V332 HydrophobicContact CG2-CG2 4.03Å; V323-L354 HydrophobicContact CG2-CD1 3.77Å; V323-Y355 WeakPolarHBondContact CB-O 3.32Å; V323-Y355 PolarHBondContact N-O 2.94Å; V323-P357 WeakPolarHBondContact O-CD 3.42Å; V323-L360 HydrophobicContact CG1-CD1 4.13Å; V323-I364 HydrophobicContact CG1-CD1 4.06Å; V323-Y458 PolarHBondContact O-OH 3.24Å
324	H	98.9	Very high	98.3	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.032	13%	0.133	C	C	.	.			trans	-96.8	158.5	167.4	177.4	-111.9	0	0	0	110.1	F322 S326 A327 L360 F483 S484 V489	F322-H324 HydrophobicContact CE1-CB 4.37Å; H324-S326 PolarHBondContact ND1-N 3.35Å; H324-S326 PolarHBondContact ND1-OG 2.96Å; H324-S326 PolarHBondContact O-N 2.98Å; H324-A327 WeakPolarHBondContact O-CB 3.29Å; H324-A327 PolarHBondContact O-N 3.33Å; H324-L360 WeakPolarHBondContact O-CD1 3.29Å; H324-F483 PolarHBondContact N-O 3.12Å; H324-S484 PolarHBondContact ND1-OG 3.24Å; H324-V489 HydrophobicContact CB-CG1 4.05Å
325	R	98.5	Very high	98.3	Very high	156 Å²	156	24.4 Å²	24.4	59%	0.589	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.3	-178.6	68.2	-178.2	178.7	167.7	2.8	114.8	P357 D460	R325-P357 HydrophobicContact CB-CG 4.32Å; R325-D460 WeakPolarHBondContact CB-OD1 3.4Å
326	S	98.6	Very high	98.4	Very high	37 Å²	37	24.3 Å²	24.3	26%	0.259	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	8.3	174.4	68	0	0	0	0	114	H324 S484 Q485 D486	H324-S326 PolarHBondContact ND1-N 3.35Å; H324-S326 PolarHBondContact ND1-OG 2.96Å; H324-S326 PolarHBondContact O-N 2.98Å; S326-S484 PolarHBondContact OG-OG 3.02Å; S326-S484 VanDerWaalsContact OG-OG 3.06Å; S326-Q485 VanDerWaalsContact O-CB 3.25Å; S326-Q485 WeakPolarHBondContact O-CB 3.49Å; S326-Q485 WeakPolarHBondContact O-CG 3.4Å; S326-Q485 PolarHBondContact O-N 2.74Å; S326-Q485 PolarHBondContact OG-N 2.93Å; S326-D486 WeakPolarHBondContact OG-CB 3.34Å; S326-D486 PolarHBondContact OG-N 2.8Å; S326-D486 VanDerWaalsContact OG-N 3.17Å
327	A	98.8	Very high	98.7	Very high	12 Å²	12	25 Å²	25	10%	0.099	14%	0.136	C	C	.	.	S	Bend	trans	-64.9	150.1	179.5	0	0	0	0	0	112.6	V323 H324 V329 V332 L360 F483	V323-A327 HydrophobicContact CG1-CB 3.57Å; H324-A327 WeakPolarHBondContact O-CB 3.29Å; H324-A327 PolarHBondContact O-N 3.33Å; A327-V329 PolarHBondContact O-N 3.44Å; A327-V332 HydrophobicContact CB-CG2 3.81Å; A327-L360 HydrophobicContact CB-CD1 4.33Å; A327-F483 HydrophobicContact CB-CB 3.86Å; A327-F483 WeakPolarHBondContact CB-O 3.4Å
328	D	98.7	Very high	98.8	Very high	64 Å²	64	31.3 Å²	31.3	34%	0.342	16%	0.159	S	C	.	.			trans	-74.8	114.7	163.9	176.8	65.4	0	0	0	109.8	E330 S331 V332	D328-E330 PolarHBondContact O-N 3.48Å; D328-S331 PolarHBondContact O-N 2.76Å; D328-S331 WeakPolarHBondContact OD2-CB 3.27Å; D328-S331 PolarHBondContact OD2-N 3.32Å; D328-S331 PolarHBondContact OD2-OG 3.02Å; D328-V332 WeakPolarHBondContact O-CG2 3.27Å; D328-V332 PolarHBondContact O-N 2.95Å
329	V	98.7	Very high	98.8	Very high	20 Å²	20	31.3 Å²	31.3	12%	0.121	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-39.5	-172.2	172.5	0	0	0	0	111.9	A327 V332 V333 L360 I364	A327-V329 PolarHBondContact O-N 3.44Å; V329-V332 WeakPolarHBondContact O-CB 3.15Å; V329-V332 PolarHBondContact O-N 3.14Å; V329-V333 HydrophobicContact CG1-CG2 4.34Å; V329-V333 VanDerWaalsContact O-CG2 3.3Å; V329-V333 WeakPolarHBondContact O-CG2 3.38Å; V329-V333 PolarHBondContact O-N 3.44Å; V329-L360 HydrophobicContact CG2-CD2 4.26Å; V329-I364 HydrophobicContact CG1-CG1 3.94Å
330	E	98.5	Very high	98.8	Very high	78 Å²	78	31.2 Å²	31.2	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-65.2	-42.6	-179.6	-61.1	-52.3	120.5	0	0	112.3	D328 V333 S334 R367	D328-E330 PolarHBondContact O-N 3.48Å; E330-V333 PolarHBondContact O-N 2.8Å; E330-S334 WeakPolarHBondContact O-CB 3.4Å; E330-S334 PolarHBondContact O-N 3.31Å; E330-S334 PolarHBondContact O-OG 3.47Å; E330-S334 VanDerWaalsContact O-OG 3.06Å; E330-R367 IonicContact OE1-CZ 2.72Å; E330-R367 IonicContact OE1-NH1 3.87Å; E330-R367 PolarHBondContact OE1-NH1 3.22Å; E330-R367 IonicContact OE1-NH2 2.71Å; E330-R367 IonicContact OE2-CZ 3.68Å; E330-R367 IonicContact OE2-NH1 2.65Å; E330-R367 PolarHBondContact OE2-NH1 2.78Å; E330-R367 IonicContact OE2-NH2 3.17Å; E330-R367 PolarHBondContact OE2-NH2 3.41Å
331	S	98.8	Very high	98.8	Very high	51 Å²	51	31.1 Å²	31.1	36%	0.357	16%	0.159	S	C	.	.	H	α-helix	trans	-64	-40.5	174.9	-61	0	0	0	0	111.5	D328 G335	D328-S331 PolarHBondContact O-N 2.76Å; D328-S331 WeakPolarHBondContact OD2-CB 3.27Å; D328-S331 PolarHBondContact OD2-N 3.32Å; D328-S331 PolarHBondContact OD2-OG 3.02Å; S331-G335 WeakPolarHBondContact O-CA 3.08Å; S331-G335 PolarHBondContact O-N 2.83Å
332	V	98.9	Very high	98.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-49.3	174.9	170.2	0	0	0	0	110.8	V323 A327 D328 V329 T336 I364 F483	V323-V332 HydrophobicContact CG1-CG1 4.43Å; V323-V332 HydrophobicContact CG1-CG2 3.92Å; V323-V332 HydrophobicContact CG2-CG1 3.63Å; V323-V332 HydrophobicContact CG2-CG2 4.03Å; A327-V332 HydrophobicContact CB-CG2 3.81Å; D328-V332 WeakPolarHBondContact O-CG2 3.27Å; D328-V332 PolarHBondContact O-N 2.95Å; V329-V332 WeakPolarHBondContact O-CB 3.15Å; V329-V332 PolarHBondContact O-N 3.14Å; V332-T336 WeakPolarHBondContact O-CB 3.2Å; V332-T336 PolarHBondContact O-N 2.9Å; V332-T336 PolarHBondContact O-OG1 3.04Å; V332-I364 HydrophobicContact CG1-CD1 4.03Å; V332-I364 HydrophobicContact CG1-CG1 4.43Å; V332-F483 HydrophobicContact CG2-CB 3.56Å; V332-F483 HydrophobicContact CG2-CD1 3.76Å; V332-F483 HydrophobicContact CG2-CD2 4.32Å; V332-F483 HydrophobicContact CG2-CG 3.62Å
333	V	98.9	Very high	98.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-56.8	-178.3	171	0	0	0	0	110	V329 E330 G335 T336 L337 R367 L368 E371	V329-V333 HydrophobicContact CG1-CG2 4.34Å; V329-V333 VanDerWaalsContact O-CG2 3.3Å; V329-V333 WeakPolarHBondContact O-CG2 3.38Å; V329-V333 PolarHBondContact O-N 3.44Å; E330-V333 PolarHBondContact O-N 2.8Å; V333-G335 PolarHBondContact O-N 2.99Å; V333-T336 PolarHBondContact O-N 2.79Å; V333-L337 HydrophobicContact CG1-CD1 3.85Å; V333-L337 HydrophobicContact CG1-CG 4.5Å; V333-L337 WeakPolarHBondContact O-CB 3.34Å; V333-L337 VanDerWaalsContact O-CG 3.25Å; V333-L337 WeakPolarHBondContact O-CG 3.16Å; V333-L337 PolarHBondContact O-N 3.14Å; V333-R367 HydrophobicContact CG1-CB 4.24Å; V333-R367 HydrophobicContact CG2-CB 3.75Å; V333-L368 HydrophobicContact CG1-CD2 4.21Å; V333-L368 HydrophobicContact CG2-CG 4.47Å; V333-E371 HydrophobicContact CG1-CG 4.2Å
334	S	98.7	Very high	98.8	Very high	63 Å²	63	32.3 Å²	32.3	44%	0.441	16%	0.164	S	C	.	.	H	α-helix	trans	-62.8	-45.6	-176.7	-59.4	0	0	0	0	112.2	E330 R338	E330-S334 WeakPolarHBondContact O-CB 3.4Å; E330-S334 PolarHBondContact O-N 3.31Å; E330-S334 PolarHBondContact O-OG 3.47Å; E330-S334 VanDerWaalsContact O-OG 3.06Å; S334-R338 WeakPolarHBondContact O-CG 3.4Å; S334-R338 PolarHBondContact O-N 3.21Å; S334-R338 VanDerWaalsContact O-N 3.1Å
335	G	98.8	Very high	98.8	Very high	10 Å²	10	32.1 Å²	32.1	10%	0.103	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-42.4	179	0	0	0	0	0	111.9	S331 V333 S339 K509	S331-G335 WeakPolarHBondContact O-CA 3.08Å; S331-G335 PolarHBondContact O-N 2.83Å; V333-G335 PolarHBondContact O-N 2.99Å; G335-S339 WeakPolarHBondContact O-CB 3.25Å; G335-S339 PolarHBondContact O-N 2.89Å; G335-K509 WeakPolarHBondContact O-CB 3.42Å
336	T	98.9	Very high	98.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.7	-44.5	179.8	-55.8	0	0	0	0	112.3	H321 V332 V333 R338 S339 A340 L354 L453	H321-T336 PolarHBondContact ND1-OG1 3.19Å; V332-T336 WeakPolarHBondContact O-CB 3.2Å; V332-T336 PolarHBondContact O-N 2.9Å; V332-T336 PolarHBondContact O-OG1 3.04Å; V333-T336 PolarHBondContact O-N 2.79Å; T336-R338 VanDerWaalsContact C-N 3.34Å; T336-R338 PolarHBondContact O-N 2.96Å; T336-S339 PolarHBondContact O-N 3.28Å; T336-A340 VanDerWaalsContact O-CB 3.28Å; T336-A340 WeakPolarHBondContact O-CB 3.04Å; T336-A340 PolarHBondContact O-N 2.77Å; T336-L354 HydrophobicContact CG2-CD1 4.17Å; T336-L354 HydrophobicContact CG2-CD2 4.24Å; T336-L453 HydrophobicContact CG2-CD1 4.18Å; T336-L453 HydrophobicContact CG2-CD2 3.62Å
337	L	98.9	Very high	98.8	Very high	15 Å²	15	23.2 Å²	23.2	8%	0.079	13%	0.125	C	C	.	.	H	α-helix	trans	-57.7	-47.2	176.3	-69.1	172.7	0	0	0	111.2	V333 F341 L368 E371 I375	V333-L337 HydrophobicContact CG1-CD1 3.85Å; V333-L337 HydrophobicContact CG1-CG 4.5Å; V333-L337 WeakPolarHBondContact O-CB 3.34Å; V333-L337 VanDerWaalsContact O-CG 3.25Å; V333-L337 WeakPolarHBondContact O-CG 3.16Å; V333-L337 PolarHBondContact O-N 3.14Å; L337-F341 HydrophobicContact CB-CD2 4.48Å; L337-F341 HydrophobicContact CD2-CD2 3.9Å; L337-F341 HydrophobicContact CD2-CE2 3.59Å; L337-F341 WeakPolarHBondContact O-CB 3.26Å; L337-F341 WeakPolarHBondContact O-CD2 3.44Å; L337-F341 PolarHBondContact O-N 2.7Å; L337-L368 HydrophobicContact CD1-CD2 4.47Å; L337-L368 HydrophobicContact CD2-CD2 3.72Å; L337-L368 HydrophobicContact CG-CD2 3.84Å; L337-E371 HydrophobicContact CD1-CB 3.51Å; L337-E371 HydrophobicContact CD1-CG 4.17Å; L337-I375 HydrophobicContact CD2-CD1 4.33Å
338	R	98.9	Very high	98.6	Very high	136 Å²	136	23.1 Å²	23.1	51%	0.513	12%	0.124	S	C	.	.	H	α-helix	trans	-62.1	-48.1	175.4	-74.2	-174.7	178.4	-177.4	-2	112.1	S334 T336 A340 E342 F387 K509	S334-R338 WeakPolarHBondContact O-CG 3.4Å; S334-R338 PolarHBondContact O-N 3.21Å; S334-R338 VanDerWaalsContact O-N 3.1Å; T336-R338 VanDerWaalsContact C-N 3.34Å; T336-R338 PolarHBondContact O-N 2.96Å; R338-A340 VanDerWaalsContact C-N 3.31Å; R338-A340 PolarHBondContact O-N 3.06Å; R338-E342 HydrophobicContact CB-CG 4.14Å; R338-E342 HydrophobicContact CG-CG 4.41Å; R338-E342 WeakPolarHBondContact CG-OE1 3.47Å; R338-E342 WeakPolarHBondContact O-CB 3.17Å; R338-E342 VanDerWaalsContact O-CG 3.27Å; R338-E342 WeakPolarHBondContact O-CG 3.19Å; R338-E342 PolarHBondContact O-N 3.09Å; R338-F387 HydrophobicContact CG-CE2 4.49Å; R338-F387 HydrophobicContact CG-CZ 4.24Å; R338-K509 HydrophobicContact CB-CD 3.89Å
339	S	98.9	Very high	98.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-34.2	-177.3	-157.3	0	0	0	0	113.5	H321 G335 T336 A350 C351 S510 T511	H321-S339 VanDerWaalsContact CE1-CB 3.44Å; H321-S339 WeakPolarHBondContact CE1-CB 3.33Å; H321-S339 PolarHBondContact NE2-OG 3.39Å; G335-S339 WeakPolarHBondContact O-CB 3.25Å; G335-S339 PolarHBondContact O-N 2.89Å; T336-S339 PolarHBondContact O-N 3.28Å; S339-A350 CarbonylContact O-C 3.59Å; S339-A350 WeakPolarHBondContact O-CA 3.45Å; S339-A350 WeakPolarHBondContact O-CB 3.37Å; S339-C351 PolarHBondContact O-N 3.5Å; S339-C351 VanDerWaalsContact OG-CB 3.29Å; S339-C351 WeakPolarHBondContact OG-CB 3.45Å; S339-C351 PolarHBondContact OG-N 3.27Å; S339-S510 PolarHBondContact OG-OG 2.86Å; S339-T511 WeakPolarHBondContact OG-CG2 3.46Å
340	A	98.9	Very high	98.6	Very high	2 Å²	2	20 Å²	20	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-86.7	-33.6	-177	0	0	0	0	0	113	T336 R338 G345 C351 L453	T336-A340 VanDerWaalsContact O-CB 3.28Å; T336-A340 WeakPolarHBondContact O-CB 3.04Å; T336-A340 PolarHBondContact O-N 2.77Å; R338-A340 VanDerWaalsContact C-N 3.31Å; R338-A340 PolarHBondContact O-N 3.06Å; A340-G345 WeakPolarHBondContact O-CA 3.34Å; A340-G345 PolarHBondContact O-N 3.03Å; A340-C351 VanDerWaalsContact CA-O 3.32Å; A340-C351 WeakPolarHBondContact CA-O 3.38Å; A340-C351 VanDerWaalsContact CB-O 3.29Å; A340-C351 WeakPolarHBondContact CB-O 3.46Å; A340-L453 HydrophobicContact CB-CB 4.13Å; A340-L453 HydrophobicContact CB-CD1 4.21Å; A340-L453 HydrophobicContact CB-CD2 4.43Å; A340-L453 HydrophobicContact CB-CG 4.49Å
341	F	98.9	Very high	98.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-119.7	-17.4	-165.3	-54.2	-40.7	0	0	0	115.1	L337 Y343 G344 I375 F387 F388 P431 I433 P451 L453	L337-F341 HydrophobicContact CB-CD2 4.48Å; L337-F341 HydrophobicContact CD2-CD2 3.9Å; L337-F341 HydrophobicContact CD2-CE2 3.59Å; L337-F341 WeakPolarHBondContact O-CB 3.26Å; L337-F341 WeakPolarHBondContact O-CD2 3.44Å; L337-F341 PolarHBondContact O-N 2.7Å; F341-Y343 PolarHBondContact O-N 2.74Å; F341-G344 WeakPolarHBondContact O-CA 3.27Å; F341-G344 PolarHBondContact O-N 3.33Å; F341-I375 HydrophobicContact CD2-CD1 3.77Å; F341-I375 HydrophobicContact CE2-CD1 4.23Å; F341-F387 HydrophobicContact CB-CE1 3.9Å; F341-F388 HydrophobicContact CB-CD1 4.32Å; F341-F388 HydrophobicContact CB-CE1 4.27Å; F341-F388 WeakPolarHBondContact O-CB 3.17Å; F341-F388 WeakPolarHBondContact O-CD1 3.44Å; F341-F388 VanDerWaalsContact O-CG 3.27Å; F341-F388 WeakPolarHBondContact O-CG 3.1Å; F341-P431 HydrophobicContact CD1-CB 3.73Å; F341-P431 HydrophobicContact CD2-CB 3.91Å; F341-P431 HydrophobicContact CE1-CB 3.8Å; F341-P431 HydrophobicContact CE2-CB 3.94Å; F341-P431 HydrophobicContact CG-CB 3.8Å; F341-P431 HydrophobicContact CZ-CB 3.9Å; F341-I433 HydrophobicContact CE2-CG1 4.35Å; F341-I433 HydrophobicContact CZ-CD1 4.45Å; F341-I433 HydrophobicContact CZ-CG1 3.81Å; F341-P451 HydrophobicContact CD1-CB 3.91Å; F341-L453 HydrophobicContact CE1-CB 4.16Å; F341-L453 HydrophobicContact CZ-CB 4.08Å
342	E	98.9	Very high	98.6	Very high	20 Å²	20	14.6 Å²	14.6	9%	0.093	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-56.3	133.9	171.4	-79.3	179.4	175.5	0	0	110.3	Q157 R338 G344 G345 K347 F387	Q157-E342 PolarHBondContact NE2-OE2 3.25Å; R338-E342 HydrophobicContact CB-CG 4.14Å; R338-E342 HydrophobicContact CG-CG 4.41Å; R338-E342 WeakPolarHBondContact CG-OE1 3.47Å; R338-E342 WeakPolarHBondContact O-CB 3.17Å; R338-E342 VanDerWaalsContact O-CG 3.27Å; R338-E342 WeakPolarHBondContact O-CG 3.19Å; R338-E342 PolarHBondContact O-N 3.09Å; E342-G344 PolarHBondContact O-N 3.17Å; E342-G345 PolarHBondContact O-N 3.01Å; E342-K347 IonicContact OE2-NZ 3.5Å; E342-K347 PolarHBondContact OE2-NZ 3.24Å; E342-F387 HydrophobicContact CG-CE2 4.33Å; E342-F387 HydrophobicContact CG-CZ 4.1Å
343	Y	98.8	Very high	98.6	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.016	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	55	30.4	-174.5	-169.4	-135.6	0	0	0	113.7	Q151 K153 F210 N211 F341 G345 Q346 K347	Q151-Y343 WeakPolarHBondContact O-CE2 3.37Å; Q151-Y343 PolarHBondContact O-OH 3.12Å; K153-Y343 HydrophobicContact CB-CE2 4.49Å; K153-Y343 HydrophobicContact CD-CD2 4.4Å; K153-Y343 HydrophobicContact CD-CE2 4.31Å; K153-Y343 HydrophobicContact CG-CD2 3.7Å; K153-Y343 HydrophobicContact CG-CE2 3.45Å; K153-Y343 VanDerWaalsContact CG-CE2 3.45Å; K153-Y343 HydrophobicContact CG-CG 4.43Å; F210-Y343 HydrophobicContact CE2-CE1 4.26Å; N211-Y343 HydrophobicContact CB-CE1 3.88Å; N211-Y343 WeakPolarHBondContact O-CE1 3.37Å; F341-Y343 PolarHBondContact O-N 2.74Å; Y343-G345 VanDerWaalsContact C-N 3.25Å; Y343-G345 PolarHBondContact O-N 3.39Å; Y343-Q346 HydrophobicContact CD1-CB 3.81Å; Y343-Q346 WeakPolarHBondContact CD1-O 3.22Å; Y343-Q346 HydrophobicContact CE1-CB 3.81Å; Y343-Q346 HydrophobicContact CG-CB 4.46Å; Y343-Q346 VanDerWaalsContact O-CB 3.3Å; Y343-Q346 WeakPolarHBondContact O-CB 3.44Å; Y343-Q346 WeakPolarHBondContact O-CG 3.38Å; Y343-Q346 PolarHBondContact O-N 2.9Å; Y343-Q346 VanDerWaalsContact O-N 3.16Å; Y343-Q346 PolarHBondContact O-NE2 2.87Å; Y343-Q346 VanDerWaalsContact O-NE2 3.08Å; Y343-K347 HydrophobicContact CD1-CG 4.47Å
344	G	98.6	Very high	98.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	64.5	28.7	-179.9	0	0	0	0	0	113.1	F341 E342 Q346 G450 P451	F341-G344 WeakPolarHBondContact O-CA 3.27Å; F341-G344 PolarHBondContact O-N 3.33Å; E342-G344 PolarHBondContact O-N 3.17Å; G344-Q346 PolarHBondContact O-N 2.84Å; G344-G450 CarbonylContact O-C 3.36Å; G344-G450 WeakPolarHBondContact O-CA 3.46Å; G344-P451 WeakPolarHBondContact O-CD 3.22Å
345	G	98.5	Very high	98.6	Very high	3 Å²	3	11.7 Å²	11.7	3%	0.031	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	67.3	12.9	-176.5	0	0	0	0	0	114.1	A340 E342 Y343 K347 A350	A340-G345 WeakPolarHBondContact O-CA 3.34Å; A340-G345 PolarHBondContact O-N 3.03Å; E342-G345 PolarHBondContact O-N 3.01Å; Y343-G345 VanDerWaalsContact C-N 3.25Å; Y343-G345 PolarHBondContact O-N 3.39Å; G345-K347 PolarHBondContact O-N 3.16Å; G345-A350 WeakPolarHBondContact O-CB 3.44Å
346	Q	98.8	Very high	98.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.			trans	-84.6	47.2	-177.8	-59.2	175.4	110.7	0	0	111.8	F210 N211 Y343 G344 F449	F210-Q346 HydrophobicContact CE2-CB 4.1Å; F210-Q346 HydrophobicContact CZ-CB 4.07Å; F210-Q346 HydrophobicContact CZ-CG 4.37Å; N211-Q346 VanDerWaalsContact CB-O 3.28Å; N211-Q346 WeakPolarHBondContact CB-O 3.44Å; Y343-Q346 HydrophobicContact CD1-CB 3.81Å; Y343-Q346 WeakPolarHBondContact CD1-O 3.22Å; Y343-Q346 HydrophobicContact CE1-CB 3.81Å; Y343-Q346 HydrophobicContact CG-CB 4.46Å; Y343-Q346 VanDerWaalsContact O-CB 3.3Å; Y343-Q346 WeakPolarHBondContact O-CB 3.44Å; Y343-Q346 WeakPolarHBondContact O-CG 3.38Å; Y343-Q346 PolarHBondContact O-N 2.9Å; Y343-Q346 VanDerWaalsContact O-N 3.16Å; Y343-Q346 PolarHBondContact O-NE2 2.87Å; Y343-Q346 VanDerWaalsContact O-NE2 3.08Å; G344-Q346 PolarHBondContact O-N 2.84Å; Q346-F449 VanDerWaalsContact C-CE1 3.41Å; Q346-F449 VanDerWaalsContact C-CZ 3.47Å; Q346-F449 HydrophobicContact CB-CD1 3.83Å; Q346-F449 HydrophobicContact CB-CE1 3.71Å; Q346-F449 HydrophobicContact CG-CD1 4.16Å; Q346-F449 WeakPolarHBondContact O-CE1 3.48Å; Q346-F449 WeakPolarHBondContact O-CZ 3.47Å
347	K	98.5	Very high	98.6	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.026	5%	0.053	C	C	.	.	S	Bend	trans	-124	138.4	175.4	-55.9	179.7	-177.2	-176.5	0	108.2	F212 E342 Y343 G345 S349 A350 T511	F212-K347 HydrophobicContact CE2-CB 4.37Å; F212-K347 HydrophobicContact CE2-CG 4.16Å; F212-K347 HydrophobicContact CZ-CD 4.25Å; F212-K347 HydrophobicContact CZ-CG 4.03Å; E342-K347 IonicContact OE2-NZ 3.5Å; E342-K347 PolarHBondContact OE2-NZ 3.24Å; Y343-K347 HydrophobicContact CD1-CG 4.47Å; G345-K347 PolarHBondContact O-N 3.16Å; K347-S349 PolarHBondContact O-N 3.19Å; K347-A350 HydrophobicContact CB-CB 4.18Å; K347-A350 VanDerWaalsContact O-CB 3.3Å; K347-A350 WeakPolarHBondContact O-CB 3.48Å; K347-A350 PolarHBondContact O-N 3.15Å; K347-T511 HydrophobicContact CD-CG2 4.17Å
348	C	96	Very high	98.6	Very high	11 Å²	11	16.5 Å²	16.5	7%	0.074	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.3	173.3	-51.9	0	0	0	0	111.4	E314 N319 L478	E314-C348 PolarHBondContact OE2-SG 3.28Å; N319-C348 PolarHBondContact ND2-O 2.72Å; C348-L478 HydrophobicContact CB-CD2 3.64Å; C348-L478 VanDerWaalsContact O-CD2 3.23Å; C348-L478 WeakPolarHBondContact O-CD2 3.45Å
349	S	98.2	Very high	98.6	Very high	7 Å²	7	12.8 Å²	12.8	5%	0.049	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2.2	178.8	51.6	0	0	0	0	115.5	N319 K347 T479 S510 T511	N319-S349 WeakPolarHBondContact ND2-CA 3.46Å; K347-S349 PolarHBondContact O-N 3.19Å; S349-T479 PolarHBondContact O-OG1 3.11Å; S349-S510 WeakPolarHBondContact CB-O 3.46Å; S349-S510 PolarHBondContact O-OG 3.14Å; S349-T511 WeakPolarHBondContact O-CG2 3.27Å
350	A	98.6	Very high	98.6	Very high	10 Å²	10	13.6 Å²	13.6	8%	0.083	8%	0.076	C	C	.	.			trans	-63.1	137.7	-175.7	0	0	0	0	0	112.2	N319 S339 G345 K347 S352	N319-A350 WeakPolarHBondContact CB-O 3.27Å; N319-A350 PolarHBondContact ND2-N 2.65Å; N319-A350 PolarHBondContact ND2-O 3.29Å; S339-A350 CarbonylContact O-C 3.59Å; S339-A350 WeakPolarHBondContact O-CA 3.45Å; S339-A350 WeakPolarHBondContact O-CB 3.37Å; G345-A350 WeakPolarHBondContact O-CB 3.44Å; K347-A350 HydrophobicContact CB-CB 4.18Å; K347-A350 VanDerWaalsContact O-CB 3.3Å; K347-A350 WeakPolarHBondContact O-CB 3.48Å; K347-A350 PolarHBondContact O-N 3.15Å; A350-S352 PolarHBondContact O-N 3.38Å
351	C	98.9	Very high	98.6	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.014	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.3	176.8	179	0	0	0	0	108.5	S339 A340	S339-C351 PolarHBondContact O-N 3.5Å; S339-C351 VanDerWaalsContact OG-CB 3.29Å; S339-C351 WeakPolarHBondContact OG-CB 3.45Å; S339-C351 PolarHBondContact OG-N 3.27Å; A340-C351 VanDerWaalsContact CA-O 3.32Å; A340-C351 WeakPolarHBondContact CA-O 3.38Å; A340-C351 VanDerWaalsContact CB-O 3.29Å; A340-C351 WeakPolarHBondContact CB-O 3.46Å
352	S	98.7	Very high	98.6	Very high	15 Å²	15	18.9 Å²	18.9	11%	0.105	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-3.1	177.1	54.5	0	0	0	0	112.9	K318 N319 A350 S454	K318-S352 VanDerWaalsContact CD-OG 3.31Å; K318-S352 WeakPolarHBondContact CD-OG 3.35Å; K318-S352 VanDerWaalsContact CE-OG 3.28Å; K318-S352 WeakPolarHBondContact CE-OG 3.08Å; K318-S352 PolarHBondContact NZ-OG 2.94Å; N319-S352 PolarHBondContact O-N 2.93Å; N319-S352 VanDerWaalsContact O-N 3.14Å; A350-S352 PolarHBondContact O-N 3.38Å; S352-S454 PolarHBondContact O-N 2.91Å
353	R	98.9	Very high	98.6	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	113	180	-55.6	-179.2	-64	133.7	-12.2	110.3	K318 N319 F320 H321 Y355 M444 S454	K318-R353 HydrophobicContact CG-CG 4.2Å; K318-R353 VanDerWaalsContact O-CZ 3.22Å; K318-R353 PolarHBondContact O-NE 3.38Å; K318-R353 PolarHBondContact O-NH2 3.27Å; N319-R353 PolarHBondContact O-N 2.83Å; F320-R353 CarbonylContact C-O 3.59Å; F320-R353 VanDerWaalsContact CA-O 3.22Å; F320-R353 WeakPolarHBondContact CA-O 3.48Å; F320-R353 HydrophobicContact CB-CB 4.48Å; H321-R353 PolarHBondContact N-O 3.29Å; R353-Y355 HydrophobicContact CB-CE2 3.81Å; R353-Y355 PolarHBondContact NH1-OH 2.81Å; R353-M444 HydrophobicContact CB-CE 3.9Å; R353-M444 HydrophobicContact CB-SD 4.3Å; R353-M444 WeakPolarHBondContact CD-O 3.44Å; R353-M444 HydrophobicContact CG-CE 4.01Å; R353-M444 HydrophobicContact CG-SD 3.96Å; R353-S454 CarbonylContact C-O 3.44Å; R353-S454 VanDerWaalsContact CA-O 3.29Å; R353-S454 WeakPolarHBondContact CA-O 3.41Å
354	L	98.9	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.2	174.3	179.8	70	0	0	0	109.4	H321 V323 T336 V356 L368 L453 S454 V455 Y456	H321-L354 HydrophobicContact CB-CD1 3.63Å; H321-L354 CarbonylContact O-C 3.5Å; H321-L354 WeakPolarHBondContact O-CA 3.18Å; V323-L354 HydrophobicContact CG2-CD1 3.77Å; T336-L354 HydrophobicContact CG2-CD1 4.17Å; T336-L354 HydrophobicContact CG2-CD2 4.24Å; L354-V356 HydrophobicContact CD1-CG2 4.22Å; L354-V356 HydrophobicContact CD2-CG2 3.5Å; L354-V356 HydrophobicContact CG-CG2 3.48Å; L354-V356 VanDerWaalsContact CG-CG2 3.48Å; L354-L368 HydrophobicContact CD2-CD1 4.06Å; L354-L453 HydrophobicContact CB-CD1 4.1Å; L354-S454 PolarHBondContact N-O 3.36Å; L354-V455 HydrophobicContact CB-CG1 4.34Å; L354-V455 HydrophobicContact CB-CG2 4.21Å; L354-V455 HydrophobicContact CD2-CG1 4.08Å; L354-V455 HydrophobicContact CD2-CG2 4.12Å; L354-V455 HydrophobicContact CG-CG1 4.35Å; L354-V455 CarbonylContact O-C 3.58Å; L354-V455 VanDerWaalsContact O-CA 3.31Å; L354-V455 WeakPolarHBondContact O-CA 3.36Å; L354-Y456 PolarHBondContact O-N 2.98Å
355	Y	98.9	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.1	175.3	-64.8	-100	0	0	0	108.7	F320 H321 V323 R353 M444 Y456 T466 V470	F320-Y355 HydrophobicContact CB-CD2 4.45Å; F320-Y355 HydrophobicContact CB-CE2 4.21Å; H321-Y355 PolarHBondContact O-N 3.44Å; V323-Y355 WeakPolarHBondContact CB-O 3.32Å; V323-Y355 PolarHBondContact N-O 2.94Å; R353-Y355 HydrophobicContact CB-CE2 3.81Å; R353-Y355 PolarHBondContact NH1-OH 2.81Å; Y355-M444 HydrophobicContact CE1-CE 4.05Å; Y355-M444 HydrophobicContact CE2-CE 4.09Å; Y355-M444 WeakPolarHBondContact OH-CE 3.34Å; Y355-Y456 WeakPolarHBondContact CA-O 3.28Å; Y355-Y456 AromaticContact CD1-CD1 3.83Å; Y355-Y456 HydrophobicContact CD1-CD1 3.83Å; Y355-Y456 HydrophobicContact CD1-CG 4.45Å; Y355-Y456 HydrophobicContact CE1-CD1 4.14Å; Y355-T466 HydrophobicContact CD1-CG2 3.74Å; Y355-T466 HydrophobicContact CG-CG2 4.41Å; Y355-V470 HydrophobicContact CD1-CG2 3.97Å; Y355-V470 HydrophobicContact CD2-CG2 3.69Å; Y355-V470 HydrophobicContact CE1-CG2 4.02Å; Y355-V470 HydrophobicContact CE2-CG2 3.73Å; Y355-V470 HydrophobicContact CG-CG2 3.83Å
356	V	98.9	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.2	-171.6	-168.2	0	0	0	0	111.3	L354 W361 I364 V455 Y456 V457 Y458	L354-V356 HydrophobicContact CD1-CG2 4.22Å; L354-V356 HydrophobicContact CD2-CG2 3.5Å; L354-V356 HydrophobicContact CG-CG2 3.48Å; L354-V356 VanDerWaalsContact CG-CG2 3.48Å; V356-W361 HydrophobicContact CB-CE3 4.22Å; V356-W361 HydrophobicContact CG1-CB 4.29Å; V356-W361 HydrophobicContact CG1-CE3 4.08Å; V356-W361 HydrophobicContact CG2-CE3 4.23Å; V356-W361 HydrophobicContact CG2-CZ3 4.41Å; V356-I364 HydrophobicContact CG1-CB 4.4Å; V356-I364 HydrophobicContact CG1-CD1 3.51Å; V356-I364 HydrophobicContact CG1-CG2 4.48Å; V356-V455 HydrophobicContact CG2-CG1 3.88Å; V356-Y456 PolarHBondContact N-O 3.48Å; V356-V457 CarbonylContact O-C 3.54Å; V356-V457 VanDerWaalsContact O-CA 3.3Å; V356-V457 WeakPolarHBondContact O-CA 3.44Å; V356-Y458 WeakPolarHBondContact O-CD1 3.27Å; V356-Y458 PolarHBondContact O-N 3.11Å
357	P	98.8	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	145.7	175.8	29.4	-31.8	0	0	0	110	V323 R325 S359 L360 W361 Y458	V323-P357 WeakPolarHBondContact O-CD 3.42Å; R325-P357 HydrophobicContact CB-CG 4.32Å; P357-S359 PolarHBondContact O-N 2.86Å; P357-L360 HydrophobicContact CG-CB 4.09Å; P357-L360 HydrophobicContact CG-CD1 4.06Å; P357-L360 HydrophobicContact CG-CG 4.08Å; P357-L360 PolarHBondContact O-N 3.4Å; P357-L360 VanDerWaalsContact O-N 3.1Å; P357-W361 PolarHBondContact O-N 2.88Å; P357-W361 VanDerWaalsContact O-N 3.1Å; P357-Y458 CarbonylContact C-O 3.59Å; P357-Y458 WeakPolarHBondContact CA-O 3.46Å; P357-Y458 HydrophobicContact CB-CE1 4.16Å; P357-Y458 HydrophobicContact CB-CE2 4.05Å; P357-Y458 VanDerWaalsContact N-CE1 3.3Å
358	H	98.5	Very high	98.6	Very high	125 Å²	125	31.4 Å²	31.4	58%	0.579	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-38.3	-178.4	-174.7	-84.9	0	0	0	112.6	L360 W361 P362 V457 Y458 D460	H358-L360 VanDerWaalsContact C-N 3.32Å; H358-L360 PolarHBondContact O-N 3.4Å; H358-W361 PolarHBondContact O-N 3.27Å; H358-P362 WeakPolarHBondContact O-CD 3.44Å; H358-V457 HydrophobicContact CB-CG1 4.39Å; H358-Y458 PolarHBondContact N-O 2.67Å; H358-D460 PolarHBondContact N-OD2 3.25Å
359	S	98.7	Very high	98.7	Very high	58 Å²	58	33.5 Å²	33.5	41%	0.406	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-34.3	179	64.7	0	0	0	0	114.6	P357 D460	P357-S359 PolarHBondContact O-N 2.86Å; S359-D460 WeakPolarHBondContact CB-OD1 3.31Å; S359-D460 WeakPolarHBondContact CB-OD2 3.42Å; S359-D460 PolarHBondContact N-OD2 2.78Å; S359-D460 VanDerWaalsContact OG-CG 3.32Å; S359-D460 PolarHBondContact OG-OD1 3.26Å; S359-D460 PolarHBondContact OG-OD2 3.06Å
360	L	98.7	Very high	98.7	Very high	18 Å²	18	37.1 Å²	37.1	9%	0.094	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-13.4	-179.7	-63.4	-176.1	0	0	0	113	V323 H324 A327 V329 P357 H358 Q363 I364	V323-L360 HydrophobicContact CG1-CD1 4.13Å; H324-L360 WeakPolarHBondContact O-CD1 3.29Å; A327-L360 HydrophobicContact CB-CD1 4.33Å; V329-L360 HydrophobicContact CG2-CD2 4.26Å; P357-L360 HydrophobicContact CG-CB 4.09Å; P357-L360 HydrophobicContact CG-CD1 4.06Å; P357-L360 HydrophobicContact CG-CG 4.08Å; P357-L360 PolarHBondContact O-N 3.4Å; P357-L360 VanDerWaalsContact O-N 3.1Å; H358-L360 VanDerWaalsContact C-N 3.32Å; H358-L360 PolarHBondContact O-N 3.4Å; L360-Q363 PolarHBondContact O-N 3.49Å; L360-I364 HydrophobicContact CB-CD1 3.7Å; L360-I364 HydrophobicContact CB-CG1 4.4Å; L360-I364 HydrophobicContact CD1-CD1 4.36Å; L360-I364 PolarHBondContact O-N 3.3Å
361	W	98.8	Very high	98.7	Very high	23 Å²	23	38.7 Å²	38.7	9%	0.087	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-43.1	-174	-179.6	-130.9	0	0	0	114.3	V356 P357 H358 Q363 I364 K365 L368 L416 V455 V457	V356-W361 HydrophobicContact CB-CE3 4.22Å; V356-W361 HydrophobicContact CG1-CB 4.29Å; V356-W361 HydrophobicContact CG1-CE3 4.08Å; V356-W361 HydrophobicContact CG2-CE3 4.23Å; V356-W361 HydrophobicContact CG2-CZ3 4.41Å; P357-W361 PolarHBondContact O-N 2.88Å; P357-W361 VanDerWaalsContact O-N 3.1Å; H358-W361 PolarHBondContact O-N 3.27Å; W361-Q363 VanDerWaalsContact C-N 3.28Å; W361-Q363 PolarHBondContact O-N 3.43Å; W361-I364 HydrophobicContact CE3-CB 4.4Å; W361-I364 HydrophobicContact CE3-CG2 4.26Å; W361-I364 HydrophobicContact CZ3-CG2 4.18Å; W361-I364 PolarHBondContact O-N 3.45Å; W361-K365 HydrophobicContact CD2-CB 3.86Å; W361-K365 HydrophobicContact CE3-CB 3.87Å; W361-K365 HydrophobicContact CH2-CB 3.82Å; W361-K365 HydrophobicContact CH2-CD 4.37Å; W361-K365 HydrophobicContact CH2-CG 4.01Å; W361-K365 HydrophobicContact CZ2-CB 3.82Å; W361-K365 HydrophobicContact CZ2-CD 3.66Å; W361-K365 HydrophobicContact CZ2-CG 3.8Å; W361-K365 HydrophobicContact CZ3-CB 3.84Å; W361-K365 WeakPolarHBondContact O-CB 3.1Å; W361-K365 PolarHBondContact O-N 3.35Å; W361-L368 HydrophobicContact CZ3-CD1 4.44Å; W361-L416 HydrophobicContact CH2-CD1 3.76Å; W361-L416 HydrophobicContact CZ2-CD1 3.67Å; W361-V455 HydrophobicContact CE3-CG1 4.39Å; W361-V455 HydrophobicContact CH2-CB 4.24Å; W361-V455 HydrophobicContact CH2-CG1 3.73Å; W361-V455 HydrophobicContact CH2-CG2 4.35Å; W361-V455 HydrophobicContact CZ2-CG1 4.42Å; W361-V455 HydrophobicContact CZ3-CG1 3.72Å; W361-V457 HydrophobicContact CB-CG1 3.86Å; W361-V457 HydrophobicContact CB-CG2 4.38Å; W361-V457 HydrophobicContact CD2-CG2 3.61Å; W361-V457 HydrophobicContact CE3-CG2 4.31Å; W361-V457 HydrophobicContact CG-CB 4.45Å; W361-V457 HydrophobicContact CG-CG1 3.91Å; W361-V457 HydrophobicContact CG-CG2 3.63Å; W361-V457 HydrophobicContact CZ2-CG2 4.17Å
362	P	98.7	Very high	98.7	Very high	91 Å²	91	39.7 Å²	39.7	59%	0.591	21%	0.208	S	C	*	.	H	α-helix	trans	-56.6	-41.6	176.7	-26.8	35.7	0	0	0	113.2	H358 G366	H358-P362 WeakPolarHBondContact O-CD 3.44Å; P362-G366 PolarHBondContact O-N 3.42Å; P362-G366 VanDerWaalsContact O-N 3.14Å
363	Q	98.6	Very high	98.7	Very high	116 Å²	116	43.6 Å²	43.6	54%	0.542	24%	0.235	S	C	.	.	H	α-helix	trans	-71.5	-50.4	179.8	-64.1	-179.7	2.8	0	0	111.4	L360 W361 G366 R367	L360-Q363 PolarHBondContact O-N 3.49Å; W361-Q363 VanDerWaalsContact C-N 3.28Å; W361-Q363 PolarHBondContact O-N 3.43Å; Q363-G366 PolarHBondContact O-N 2.82Å; Q363-R367 PolarHBondContact O-N 2.8Å
364	I	98.8	Very high	98.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-43.8	-179.3	-71.3	167	0	0	0	110.9	V323 V329 V332 V356 L360 W361 R367 L368	V323-I364 HydrophobicContact CG1-CD1 4.06Å; V329-I364 HydrophobicContact CG1-CG1 3.94Å; V332-I364 HydrophobicContact CG1-CD1 4.03Å; V332-I364 HydrophobicContact CG1-CG1 4.43Å; V356-I364 HydrophobicContact CG1-CB 4.4Å; V356-I364 HydrophobicContact CG1-CD1 3.51Å; V356-I364 HydrophobicContact CG1-CG2 4.48Å; L360-I364 HydrophobicContact CB-CD1 3.7Å; L360-I364 HydrophobicContact CB-CG1 4.4Å; L360-I364 HydrophobicContact CD1-CD1 4.36Å; L360-I364 PolarHBondContact O-N 3.3Å; W361-I364 HydrophobicContact CE3-CB 4.4Å; W361-I364 HydrophobicContact CE3-CG2 4.26Å; W361-I364 HydrophobicContact CZ3-CG2 4.18Å; W361-I364 PolarHBondContact O-N 3.45Å; I364-R367 PolarHBondContact O-N 3.3Å; I364-L368 HydrophobicContact CG2-CD1 3.63Å; I364-L368 HydrophobicContact CG2-CG 4.1Å; I364-L368 VanDerWaalsContact O-CB 3.3Å; I364-L368 WeakPolarHBondContact O-CB 3.26Å; I364-L368 VanDerWaalsContact O-CG 3.26Å; I364-L368 WeakPolarHBondContact O-CG 3.3Å; I364-L368 PolarHBondContact O-N 3.37Å
365	K	98.8	Very high	98.6	Very high	65 Å²	65	51.4 Å²	51.4	28%	0.283	27%	0.266	S	S	.	.	H	α-helix	trans	-58.9	-50.8	175.9	-177.3	176.6	-177.1	162.2	0	110.8	W361 R367 L368 L369 E435	W361-K365 HydrophobicContact CD2-CB 3.86Å; W361-K365 HydrophobicContact CE3-CB 3.87Å; W361-K365 HydrophobicContact CH2-CB 3.82Å; W361-K365 HydrophobicContact CH2-CD 4.37Å; W361-K365 HydrophobicContact CH2-CG 4.01Å; W361-K365 HydrophobicContact CZ2-CB 3.82Å; W361-K365 HydrophobicContact CZ2-CD 3.66Å; W361-K365 HydrophobicContact CZ2-CG 3.8Å; W361-K365 HydrophobicContact CZ3-CB 3.84Å; W361-K365 WeakPolarHBondContact O-CB 3.1Å; W361-K365 PolarHBondContact O-N 3.35Å; K365-R367 PolarHBondContact O-N 3.07Å; K365-L368 PolarHBondContact O-N 2.91Å; K365-L369 HydrophobicContact CG-CD1 3.89Å; K365-L369 HydrophobicContact CG-CG 4.39Å; K365-L369 WeakPolarHBondContact O-CB 3.28Å; K365-L369 WeakPolarHBondContact O-CG 3.29Å; K365-L369 PolarHBondContact O-N 3.22Å; K365-E435 IonicContact NZ-OE2 2.66Å
366	G	98.6	Very high	98.6	Very high	39 Å²	39	57 Å²	57	40%	0.402	29%	0.291	S	S	.	.	H	α-helix	trans	-55.6	-49.9	179.4	0	0	0	0	0	112	P362 Q363 L369 E370	P362-G366 PolarHBondContact O-N 3.42Å; P362-G366 VanDerWaalsContact O-N 3.14Å; Q363-G366 PolarHBondContact O-N 2.82Å; G366-L369 PolarHBondContact O-N 3.22Å; G366-E370 WeakPolarHBondContact O-CB 3.42Å; G366-E370 PolarHBondContact O-N 3.5Å
367	R	98.6	Very high	98.6	Very high	73 Å²	73	58.6 Å²	58.6	28%	0.275	30%	0.301	S	S	.	.	H	α-helix	trans	-68.5	-41.2	-179.8	-68.4	-59.3	-59.6	-78	-10.6	113.6	E330 V333 Q363 I364 K365 L369 E370 E371	E330-R367 IonicContact OE1-CZ 2.72Å; E330-R367 IonicContact OE1-NH1 3.87Å; E330-R367 PolarHBondContact OE1-NH1 3.22Å; E330-R367 IonicContact OE1-NH2 2.71Å; E330-R367 IonicContact OE2-CZ 3.68Å; E330-R367 IonicContact OE2-NH1 2.65Å; E330-R367 PolarHBondContact OE2-NH1 2.78Å; E330-R367 IonicContact OE2-NH2 3.17Å; E330-R367 PolarHBondContact OE2-NH2 3.41Å; V333-R367 HydrophobicContact CG1-CB 4.24Å; V333-R367 HydrophobicContact CG2-CB 3.75Å; Q363-R367 PolarHBondContact O-N 2.8Å; I364-R367 PolarHBondContact O-N 3.3Å; K365-R367 PolarHBondContact O-N 3.07Å; R367-L369 VanDerWaalsContact C-N 3.31Å; R367-L369 PolarHBondContact O-N 3.06Å; R367-E370 IonicContact NE-OE2 3.66Å; R367-E370 PolarHBondContact O-N 3.49Å; R367-E371 IonicContact NE-OE1 3.62Å; R367-E371 IonicContact NH2-OE1 3.47Å; R367-E371 PolarHBondContact NH2-OE1 3.48Å; R367-E371 WeakPolarHBondContact O-CG 3.18Å; R367-E371 PolarHBondContact O-N 2.87Å
368	L	98.7	Very high	98.6	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-42.1	174.9	-76.8	173.9	0	0	0	111.8	V333 L337 L354 W361 I364 K365 H372 I433	V333-L368 HydrophobicContact CG1-CD2 4.21Å; V333-L368 HydrophobicContact CG2-CG 4.47Å; L337-L368 HydrophobicContact CD1-CD2 4.47Å; L337-L368 HydrophobicContact CD2-CD2 3.72Å; L337-L368 HydrophobicContact CG-CD2 3.84Å; L354-L368 HydrophobicContact CD2-CD1 4.06Å; W361-L368 HydrophobicContact CZ3-CD1 4.44Å; I364-L368 HydrophobicContact CG2-CD1 3.63Å; I364-L368 HydrophobicContact CG2-CG 4.1Å; I364-L368 VanDerWaalsContact O-CB 3.3Å; I364-L368 WeakPolarHBondContact O-CB 3.26Å; I364-L368 VanDerWaalsContact O-CG 3.26Å; I364-L368 WeakPolarHBondContact O-CG 3.3Å; I364-L368 PolarHBondContact O-N 3.37Å; K365-L368 PolarHBondContact O-N 2.91Å; L368-H372 WeakPolarHBondContact O-CB 3.38Å; L368-H372 PolarHBondContact O-N 2.81Å; L368-I433 HydrophobicContact CB-CD1 4.14Å
369	L	98.7	Very high	98.6	Very high	54 Å²	54	55.7 Å²	55.7	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-71.3	-38.2	178.9	-64.4	177.9	0	0	0	112.4	K365 G366 R367 S373 L416 A417	K365-L369 HydrophobicContact CG-CD1 3.89Å; K365-L369 HydrophobicContact CG-CG 4.39Å; K365-L369 WeakPolarHBondContact O-CB 3.28Å; K365-L369 WeakPolarHBondContact O-CG 3.29Å; K365-L369 PolarHBondContact O-N 3.22Å; G366-L369 PolarHBondContact O-N 3.22Å; R367-L369 VanDerWaalsContact C-N 3.31Å; R367-L369 PolarHBondContact O-N 3.06Å; L369-S373 PolarHBondContact O-N 3Å; L369-L416 HydrophobicContact CD2-CB 3.99Å; L369-A417 HydrophobicContact CD2-CB 3.53Å
370	E	98.5	Very high	98.6	Very high	83 Å²	83	53 Å²	53	39%	0.388	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-52.9	174.6	-175.7	-174.7	170.6	0	0	111	G366 R367 H372 S373 R374	G366-E370 WeakPolarHBondContact O-CB 3.42Å; G366-E370 PolarHBondContact O-N 3.5Å; R367-E370 IonicContact NE-OE2 3.66Å; R367-E370 PolarHBondContact O-N 3.49Å; E370-H372 VanDerWaalsContact C-N 3.33Å; E370-H372 PolarHBondContact O-N 3.24Å; E370-S373 WeakPolarHBondContact O-CB 3.46Å; E370-S373 PolarHBondContact O-N 3.33Å; E370-S373 PolarHBondContact O-OG 3.48Å; E370-R374 IonicContact OE1-CZ 2.73Å; E370-R374 IonicContact OE1-NH1 3.13Å; E370-R374 IonicContact OE1-NH2 3.97Å; E370-R374 PolarHBondContact OE1-NH2 2.87Å
371	E	98.5	Very high	98.6	Very high	43 Å²	43	53 Å²	53	20%	0.201	28%	0.278	C	S	.	.	H	α-helix	trans	-68.7	-32.3	-179.6	-61.1	-54.4	158	0	0	112	V333 L337 R367 S373 R374 I375	V333-E371 HydrophobicContact CG1-CG 4.2Å; L337-E371 HydrophobicContact CD1-CB 3.51Å; L337-E371 HydrophobicContact CD1-CG 4.17Å; R367-E371 IonicContact NE-OE1 3.62Å; R367-E371 IonicContact NH2-OE1 3.47Å; R367-E371 PolarHBondContact NH2-OE1 3.48Å; R367-E371 WeakPolarHBondContact O-CG 3.18Å; R367-E371 PolarHBondContact O-N 2.87Å; E371-S373 PolarHBondContact O-N 2.97Å; E371-R374 VanDerWaalsContact CD-NH1 3.3Å; E371-R374 WeakPolarHBondContact O-CB 3.43Å; E371-R374 PolarHBondContact O-N 3.4Å; E371-R374 IonicContact OE1-NH1 3.47Å; E371-R374 PolarHBondContact OE1-NH1 3Å; E371-R374 WeakPolarHBondContact OE2-CD 3.45Å; E371-R374 IonicContact OE2-CZ 3.52Å; E371-R374 IonicContact OE2-NH1 3.19Å; E371-R374 PolarHBondContact OE2-NH1 2.85Å; E371-I375 PolarHBondContact O-N 3.03Å
372	H	98.6	Very high	98.5	Very high	24 Å²	24	57.9 Å²	57.9	11%	0.111	30%	0.301	C	S	.	.	H	α-helix	trans	-53.2	-43.1	172.6	171.5	-76.9	0	0	0	111.6	L368 E370 R374 I375 P431 I433	L368-H372 WeakPolarHBondContact O-CB 3.38Å; L368-H372 PolarHBondContact O-N 2.81Å; E370-H372 VanDerWaalsContact C-N 3.33Å; E370-H372 PolarHBondContact O-N 3.24Å; H372-R374 PolarHBondContact O-N 2.88Å; H372-R374 VanDerWaalsContact O-N 3.12Å; H372-I375 WeakPolarHBondContact O-CB 3.48Å; H372-I375 PolarHBondContact O-N 2.93Å; H372-P431 PolarHBondContact CD2-O 3.4Å; H372-P431 PolarHBondContact NE2-O 3.04Å; H372-I433 HydrophobicContact CB-CD1 4.37Å
373	S	97.8	Very high	98.5	Very high	96 Å²	96	57 Å²	57	67%	0.671	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.3	179.3	77.4	0	0	0	0	114.2	L369 E370 E371	L369-S373 PolarHBondContact O-N 3Å; E370-S373 WeakPolarHBondContact O-CB 3.46Å; E370-S373 PolarHBondContact O-N 3.33Å; E370-S373 PolarHBondContact O-OG 3.48Å; E371-S373 PolarHBondContact O-N 2.97Å
374	R	98.4	Very high	98.5	Very high	143 Å²	143	53.8 Å²	53.8	54%	0.54	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-9.8	178	-59.9	-178.8	-179	149.2	4.2	113	E370 E371 H372 K376	E370-R374 IonicContact OE1-CZ 2.73Å; E370-R374 IonicContact OE1-NH1 3.13Å; E370-R374 IonicContact OE1-NH2 3.97Å; E370-R374 PolarHBondContact OE1-NH2 2.87Å; E371-R374 VanDerWaalsContact CD-NH1 3.3Å; E371-R374 WeakPolarHBondContact O-CB 3.43Å; E371-R374 PolarHBondContact O-N 3.4Å; E371-R374 IonicContact OE1-NH1 3.47Å; E371-R374 PolarHBondContact OE1-NH1 3Å; E371-R374 WeakPolarHBondContact OE2-CD 3.45Å; E371-R374 IonicContact OE2-CZ 3.52Å; E371-R374 IonicContact OE2-NH1 3.19Å; E371-R374 PolarHBondContact OE2-NH1 2.85Å; H372-R374 PolarHBondContact O-N 2.88Å; H372-R374 VanDerWaalsContact O-N 3.12Å; R374-K376 PolarHBondContact O-N 2.93Å
375	I	98.7	Very high	98.4	Very high	25 Å²	25	55.8 Å²	55.8	13%	0.128	30%	0.297	C	S	.	.			trans	-68.7	121.3	-179.4	-67.5	174	0	0	0	109.4	L337 F341 E371 H372 V377 F387 F388 P431	L337-I375 HydrophobicContact CD2-CD1 4.33Å; F341-I375 HydrophobicContact CD2-CD1 3.77Å; F341-I375 HydrophobicContact CE2-CD1 4.23Å; E371-I375 PolarHBondContact O-N 3.03Å; H372-I375 WeakPolarHBondContact O-CB 3.48Å; H372-I375 PolarHBondContact O-N 2.93Å; I375-V377 HydrophobicContact CG2-CG2 4.33Å; I375-F387 HydrophobicContact CD1-CD1 4.4Å; I375-F387 HydrophobicContact CD1-CE1 4.41Å; I375-F387 HydrophobicContact CG1-CD1 4.19Å; I375-F387 HydrophobicContact CG2-CB 4.13Å; I375-F387 HydrophobicContact CG2-CD1 3.7Å; I375-F387 HydrophobicContact CG2-CG 4.34Å; I375-F388 HydrophobicContact CG2-CD1 4.09Å; I375-F388 HydrophobicContact CG2-CE1 3.79Å; I375-P431 HydrophobicContact CB-CG 4.2Å; I375-P431 HydrophobicContact CD1-CB 4.32Å; I375-P431 HydrophobicContact CD1-CG 4.06Å; I375-P431 HydrophobicContact CG2-CG 3.89Å
376	K	98.7	Very high	98.4	Very high	118 Å²	118	53.2 Å²	53.2	51%	0.513	29%	0.286	S	S	.	.			trans	-93.1	123.9	173.8	-68	-175.2	175.6	-173.4	0	111	R374 F387	R374-K376 PolarHBondContact O-N 2.93Å; K376-F387 PolarHBondContact O-N 3.14Å
377	V	98.8	Very high	98.4	Very high	34 Å²	34	54.3 Å²	54.3	21%	0.206	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-109.2	126.1	170.4	-174.5	0	0	0	0	108.5	I375 F388 F428	I375-V377 HydrophobicContact CG2-CG2 4.33Å; V377-F388 WeakPolarHBondContact CA-O 3.49Å; V377-F388 HydrophobicContact CG1-CE2 4.28Å; V377-F388 HydrophobicContact CG1-CZ 4.44Å; V377-F388 HydrophobicContact CG2-CD1 4.22Å; V377-F388 HydrophobicContact CG2-CE1 3.55Å; V377-F388 HydrophobicContact CG2-CE2 4.12Å; V377-F388 HydrophobicContact CG2-CZ 3.49Å; V377-F388 VanDerWaalsContact CG2-CZ 3.49Å; V377-F428 HydrophobicContact CG1-CD1 3.66Å; V377-F428 HydrophobicContact CG1-CE1 4.23Å
378	G	98.5	Very high	98.5	Very high	17 Å²	17	50.8 Å²	50.8	18%	0.175	27%	0.267	C	S	.	.	S	Bend	trans	-175.9	-168	-173.7	0	0	0	0	0	115.1	P380 S389	G378-P380 WeakPolarHBondContact O-CD 3.47Å; G378-S389 VanDerWaalsContact O-CB 3.31Å; G378-S389 WeakPolarHBondContact O-CB 3.39Å; G378-S389 PolarHBondContact O-OG 2.97Å
379	D	98.4	Very high	98.5	Very high	46 Å²	46	50.8 Å²	50.8	25%	0.246	27%	0.267	C	S	.	.			trans	-72.8	114.4	174.4	-173.6	-41.1	0	0	0	109.7	F85 A381 E382 D383 T386	F85-D379 HydrophobicContact CD2-CB 4.2Å; F85-D379 WeakPolarHBondContact CD2-OD2 3.35Å; F85-D379 WeakPolarHBondContact CE2-OD1 3.31Å; F85-D379 WeakPolarHBondContact CE2-OD2 3.45Å; D379-A381 VanDerWaalsContact C-N 3.28Å; D379-A381 PolarHBondContact O-N 2.75Å; D379-A381 WeakPolarHBondContact OD1-CA 3.39Å; D379-A381 WeakPolarHBondContact OD1-CB 3.23Å; D379-A381 PolarHBondContact OD1-N 2.96Å; D379-E382 HydrophobicContact CB-CB 4.32Å; D379-E382 HydrophobicContact CB-CG 4.48Å; D379-E382 PolarHBondContact OD1-N 3.28Å; D379-E382 VanDerWaalsContact OD1-N 3.09Å; D379-D383 PolarHBondContact O-N 3.03Å; D379-T386 PolarHBondContact O-OG1 2.83Å
380	P	98.6	Very high	98.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.1	-174.4	33.6	-33.4	0	0	0	112.9	F85 M148 K153 T154 G378 F384 S389	F85-P380 HydrophobicContact CD1-CG 3.88Å; F85-P380 HydrophobicContact CE1-CG 3.73Å; F85-P380 HydrophobicContact CG-CG 4.48Å; F85-P380 HydrophobicContact CZ-CG 4.2Å; M148-P380 HydrophobicContact CE-CB 4.39Å; M148-P380 WeakPolarHBondContact CE-O 3.41Å; K153-P380 WeakPolarHBondContact O-CB 3.47Å; K153-P380 WeakPolarHBondContact O-CG 3.49Å; T154-P380 HydrophobicContact CG2-CB 4.09Å; G378-P380 WeakPolarHBondContact O-CD 3.47Å; P380-F384 WeakPolarHBondContact O-CD1 3.49Å; P380-S389 WeakPolarHBondContact CD-OG 3.3Å
381	A	98	Very high	98.5	Very high	20 Å²	20	44.3 Å²	44.3	17%	0.165	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-34.8	177.5	0	0	0	0	0	111.6	L54 F85 D379	L54-A381 HydrophobicContact CD1-CB 4.3Å; L54-A381 HydrophobicContact CD2-CB 3.93Å; F85-A381 HydrophobicContact CZ-CB 4.42Å; D379-A381 VanDerWaalsContact C-N 3.28Å; D379-A381 PolarHBondContact O-N 2.75Å; D379-A381 WeakPolarHBondContact OD1-CA 3.39Å; D379-A381 WeakPolarHBondContact OD1-CB 3.23Å; D379-A381 PolarHBondContact OD1-N 2.96Å
382	E	97.5	Very high	98.5	Very high	125 Å²	125	42.4 Å²	42.4	58%	0.584	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-35.8	179.6	-57.5	-68.7	141.1	0	0	113.1	K58 D379	K58-E382 VanDerWaalsContact NZ-CD 3.28Å; K58-E382 IonicContact NZ-OE1 3.53Å; K58-E382 PolarHBondContact NZ-OE1 3.4Å; K58-E382 IonicContact NZ-OE2 3.98Å; K58-E382 PolarHBondContact NZ-OE2 3.23Å; D379-E382 HydrophobicContact CB-CB 4.32Å; D379-E382 HydrophobicContact CB-CG 4.48Å; D379-E382 PolarHBondContact OD1-N 3.28Å; D379-E382 VanDerWaalsContact OD1-N 3.09Å
383	D	98	Very high	98.5	Very high	73 Å²	73	43 Å²	43	39%	0.39	23%	0.23	S	C	.	.			trans	-121.9	103.7	178	-175.1	8.4	0	0	0	112.3	D379 G385 T386	D379-D383 PolarHBondContact O-N 3.03Å; D383-G385 PolarHBondContact O-N 3.43Å; D383-G385 WeakPolarHBondContact OD1-CA 3.37Å; D383-G385 PolarHBondContact OD1-N 2.89Å; D383-T386 WeakPolarHBondContact O-CB 3.11Å; D383-T386 PolarHBondContact O-N 3.05Å; D383-T386 PolarHBondContact O-OG1 3.23Å
384	F	98.4	Very high	98.5	Very high	48 Å²	48	40.8 Å²	40.8	21%	0.211	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.5	175.8	-74.6	15.7	0	0	0	113.3	R47 L50 Q51 L54 M148 V155 P380 T386	R47-F384 HydrophobicContact CG-CE2 4.11Å; L50-F384 HydrophobicContact CD2-CE2 4.46Å; L50-F384 HydrophobicContact CD2-CZ 4.2Å; L50-F384 HydrophobicContact CG-CZ 4.45Å; Q51-F384 HydrophobicContact CG-CE2 4.23Å; Q51-F384 HydrophobicContact CG-CZ 4.02Å; L54-F384 HydrophobicContact CD1-CE1 3.73Å; L54-F384 HydrophobicContact CD1-CZ 3.77Å; M148-F384 HydrophobicContact CE-CE1 4.32Å; V155-F384 HydrophobicContact CG2-CD1 3.88Å; V155-F384 HydrophobicContact CG2-CD2 3.74Å; V155-F384 HydrophobicContact CG2-CE1 3.78Å; V155-F384 HydrophobicContact CG2-CE2 3.66Å; V155-F384 HydrophobicContact CG2-CG 3.88Å; V155-F384 HydrophobicContact CG2-CZ 3.68Å; P380-F384 WeakPolarHBondContact O-CD1 3.49Å; F384-T386 VanDerWaalsContact C-N 3.26Å
385	G	98.3	Very high	98.5	Very high	42 Å²	42	41.9 Å²	41.9	43%	0.433	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.5	167.4	0	0	0	0	0	114	D383 F387	D383-G385 PolarHBondContact O-N 3.43Å; D383-G385 WeakPolarHBondContact OD1-CA 3.37Å; D383-G385 PolarHBondContact OD1-N 2.89Å; G385-F387 PolarHBondContact O-N 2.86Å
386	T	98.8	Very high	98.5	Very high	10 Å²	10	41 Å²	41	6%	0.061	22%	0.222	C	C	.	.			trans	-62.6	127.4	174.2	-63.5	0	0	0	0	111	T154 D379 D383 F384 F388	T154-T386 HydrophobicContact CG2-CG2 4.06Å; T154-T386 WeakPolarHBondContact CG2-O 3.22Å; D379-T386 PolarHBondContact O-OG1 2.83Å; D383-T386 WeakPolarHBondContact O-CB 3.11Å; D383-T386 PolarHBondContact O-N 3.05Å; D383-T386 PolarHBondContact O-OG1 3.23Å; F384-T386 VanDerWaalsContact C-N 3.26Å; T386-F388 WeakPolarHBondContact CG2-O 3.42Å
387	F	98.8	Very high	98.5	Very high	62 Å²	62	35.6 Å²	35.6	27%	0.272	20%	0.199	S	C	.	.	S	Bend	trans	-81	-43.6	177	-178.1	-122	0	0	0	111.9	R338 F341 E342 I375 K376 G385	R338-F387 HydrophobicContact CG-CE2 4.49Å; R338-F387 HydrophobicContact CG-CZ 4.24Å; F341-F387 HydrophobicContact CB-CE1 3.9Å; E342-F387 HydrophobicContact CG-CE2 4.33Å; E342-F387 HydrophobicContact CG-CZ 4.1Å; I375-F387 HydrophobicContact CD1-CD1 4.4Å; I375-F387 HydrophobicContact CD1-CE1 4.41Å; I375-F387 HydrophobicContact CG1-CD1 4.19Å; I375-F387 HydrophobicContact CG2-CB 4.13Å; I375-F387 HydrophobicContact CG2-CD1 3.7Å; I375-F387 HydrophobicContact CG2-CG 4.34Å; K376-F387 PolarHBondContact O-N 3.14Å; G385-F387 PolarHBondContact O-N 2.86Å
388	F	98.9	Very high	98.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-151.6	166.7	168.2	77.2	-84.7	0	0	0	110.4	F341 I375 V377 T386 V429 P431 P451	F341-F388 HydrophobicContact CB-CD1 4.32Å; F341-F388 HydrophobicContact CB-CE1 4.27Å; F341-F388 WeakPolarHBondContact O-CB 3.17Å; F341-F388 WeakPolarHBondContact O-CD1 3.44Å; F341-F388 VanDerWaalsContact O-CG 3.27Å; F341-F388 WeakPolarHBondContact O-CG 3.1Å; I375-F388 HydrophobicContact CG2-CD1 4.09Å; I375-F388 HydrophobicContact CG2-CE1 3.79Å; V377-F388 WeakPolarHBondContact CA-O 3.49Å; V377-F388 HydrophobicContact CG1-CE2 4.28Å; V377-F388 HydrophobicContact CG1-CZ 4.44Å; V377-F388 HydrophobicContact CG2-CD1 4.22Å; V377-F388 HydrophobicContact CG2-CE1 3.55Å; V377-F388 HydrophobicContact CG2-CE2 4.12Å; V377-F388 HydrophobicContact CG2-CZ 3.49Å; V377-F388 VanDerWaalsContact CG2-CZ 3.49Å; T386-F388 WeakPolarHBondContact CG2-O 3.42Å; F388-V429 WeakPolarHBondContact CE2-O 3.39Å; F388-P431 HydrophobicContact CE1-CB 4.01Å; F388-P431 HydrophobicContact CE1-CG 4Å; F388-P431 HydrophobicContact CZ-CB 4.17Å; F388-P431 HydrophobicContact CZ-CG 4.27Å; F388-P451 HydrophobicContact CE2-CB 4.09Å; F388-P451 HydrophobicContact CE2-CG 4.07Å; F388-P451 HydrophobicContact CZ-CB 3.99Å; F388-P451 HydrophobicContact CZ-CG 4.21Å
389	S	98.9	Very high	98.5	Very high	2 Å²	2	40 Å²	40	1%	0.014	22%	0.219	C	C	.	.			trans	-118.4	-163.8	-174.6	-163.2	0	0	0	0	112.7	F85 G152 G378 P380	F85-S389 WeakPolarHBondContact CB-OG 3.18Å; G152-S389 WeakPolarHBondContact O-CB 3.26Å; G378-S389 VanDerWaalsContact O-CB 3.31Å; G378-S389 WeakPolarHBondContact O-CB 3.39Å; G378-S389 PolarHBondContact O-OG 2.97Å; P380-S389 WeakPolarHBondContact CD-OG 3.3Å
390	A	98.8	Very high	98.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	21%	0.207	C	C	.	.			trans	-53.8	153	175	0	0	0	0	0	113.3	P84 F85 Y427 F428	P84-A390 HydrophobicContact CB-CB 4.21Å; P84-A390 WeakPolarHBondContact O-CB 3.5Å; F85-A390 HydrophobicContact CB-CB 4.01Å; A390-Y427 CarbonylContact C-O 3.56Å; A390-Y427 VanDerWaalsContact CA-O 3.31Å; A390-Y427 WeakPolarHBondContact CA-O 3.44Å; A390-Y427 WeakPolarHBondContact CB-O 3.1Å; A390-F428 HydrophobicContact CB-CD1 3.88Å; A390-F428 HydrophobicContact CB-CE1 3.95Å; A390-F428 HydrophobicContact CB-CG 4.26Å; A390-F428 HydrophobicContact CB-CZ 4.37Å
391	V	98.9	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.			trans	-74.6	160.9	169.6	-58.3	0	0	0	0	110.4	P84 D393 F397 I400 Y427 V429	P84-V391 WeakPolarHBondContact CB-O 3.45Å; V391-D393 PolarHBondContact O-N 2.89Å; V391-F397 HydrophobicContact CG2-CB 4.08Å; V391-F397 HydrophobicContact CG2-CD2 4.45Å; V391-I400 HydrophobicContact CB-CD1 4.12Å; V391-I400 HydrophobicContact CG1-CD1 3.66Å; V391-I400 HydrophobicContact CG2-CD1 4.12Å; V391-Y427 WeakPolarHBondContact CG2-O 3.5Å; V391-Y427 PolarHBondContact N-O 3.37Å; V391-Y427 WeakPolarHBondContact O-CB 3.45Å; V391-V429 HydrophobicContact CG1-CG2 4.24Å; V391-V429 HydrophobicContact CG2-CG2 4.25Å
392	I	98.8	Very high	98.6	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.015	25%	0.247	C	C	.	.	S	Bend	trans	-63.4	-38.4	-158.6	-169.7	66.3	0	0	0	115.5	P84 Q151 F210 T237 S396	P84-I392 HydrophobicContact CG-CD1 3.93Å; Q151-I392 HydrophobicContact CB-CD1 4.18Å; Q151-I392 HydrophobicContact CG-CD1 4.42Å; F210-I392 HydrophobicContact CB-CD1 4.49Å; F210-I392 HydrophobicContact CB-CG1 4.18Å; F210-I392 HydrophobicContact CD1-CG2 4.24Å; F210-I392 HydrophobicContact CD2-CB 3.68Å; F210-I392 HydrophobicContact CD2-CD1 3.62Å; F210-I392 HydrophobicContact CD2-CG1 3.38Å; F210-I392 HydrophobicContact CD2-CG2 4.01Å; F210-I392 HydrophobicContact CE1-CG2 3.89Å; F210-I392 HydrophobicContact CE2-CB 3.47Å; F210-I392 VanDerWaalsContact CE2-CB 3.47Å; F210-I392 HydrophobicContact CE2-CD1 4.18Å; F210-I392 HydrophobicContact CE2-CG1 3.77Å; F210-I392 HydrophobicContact CE2-CG2 3.64Å; F210-I392 HydrophobicContact CG-CB 4.33Å; F210-I392 HydrophobicContact CG-CD1 4.33Å; F210-I392 HydrophobicContact CG-CG1 3.81Å; F210-I392 HydrophobicContact CG-CG2 4.28Å; F210-I392 HydrophobicContact CZ-CB 3.94Å; F210-I392 HydrophobicContact CZ-CG1 4.46Å; F210-I392 HydrophobicContact CZ-CG2 3.53Å; T237-I392 VanDerWaalsContact CB-CG1 3.48Å; T237-I392 HydrophobicContact CG2-CG1 3.98Å; I392-S396 WeakPolarHBondContact CG2-OG 3.25Å
393	D	98.7	Very high	98.7	Very high	37 Å²	37	43.2 Å²	43.2	20%	0.198	22%	0.224	C	C	.	.	S	Bend	trans	-156	170.6	-172.5	70.2	-4.2	0	0	0	112.8	T237 V391 K395 S396 F397	T237-D393 HydrophobicContact CG2-CB 4.13Å; V391-D393 PolarHBondContact O-N 2.89Å; D393-K395 VanDerWaalsContact C-N 3.25Å; D393-K395 PolarHBondContact O-N 2.9Å; D393-K395 PolarHBondContact OD1-N 2.84Å; D393-S396 PolarHBondContact O-N 3.45Å; D393-S396 VanDerWaalsContact O-N 3.15Å; D393-S396 WeakPolarHBondContact OD1-CB 3.03Å; D393-S396 PolarHBondContact OD1-N 3.44Å; D393-S396 PolarHBondContact OD1-OG 2.91Å; D393-F397 PolarHBondContact O-N 3.12Å
394	A	98.6	Very high	98.7	Very high	50 Å²	50	39.7 Å²	39.7	41%	0.413	21%	0.206	S	C	.	.	H	α-helix	trans	-58.2	-34.9	178	0	0	0	0	0	113.1	F397 A398 Y427	A394-F397 PolarHBondContact O-N 3.36Å; A394-A398 WeakPolarHBondContact O-CB 3.14Å; A394-A398 PolarHBondContact O-N 2.69Å; A394-Y427 HydrophobicContact CB-CD1 4.47Å; A394-Y427 HydrophobicContact CB-CE1 3.71Å
395	K	98.4	Very high	98.7	Very high	165 Å²	165	42 Å²	42	72%	0.717	22%	0.217	S	C	*	.	H	α-helix	trans	-65.4	-41.8	177.7	-67.9	177.1	-177.4	170.3	0	111	D393 R399	D393-K395 VanDerWaalsContact C-N 3.25Å; D393-K395 PolarHBondContact O-N 2.9Å; D393-K395 PolarHBondContact OD1-N 2.84Å; K395-R399 WeakPolarHBondContact O-CB 3.3Å; K395-R399 PolarHBondContact O-N 3.35Å
396	S	98.5	Very high	98.7	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-68.9	-44	176.4	-60.9	0	0	0	0	111.7	I392 D393 A398 R399 I400	I392-S396 WeakPolarHBondContact CG2-OG 3.25Å; D393-S396 PolarHBondContact O-N 3.45Å; D393-S396 VanDerWaalsContact O-N 3.15Å; D393-S396 WeakPolarHBondContact OD1-CB 3.03Å; D393-S396 PolarHBondContact OD1-N 3.44Å; D393-S396 PolarHBondContact OD1-OG 2.91Å; S396-A398 PolarHBondContact O-N 3.3Å; S396-R399 PolarHBondContact O-N 2.97Å; S396-R399 PolarHBondContact OG-NH1 3.23Å; S396-R399 PolarHBondContact OG-NH2 3.01Å; S396-I400 WeakPolarHBondContact O-CD1 3.14Å; S396-I400 WeakPolarHBondContact O-CG1 3.39Å; S396-I400 PolarHBondContact O-N 3.18Å
397	F	98.9	Very high	98.7	Very high	6 Å²	6	42 Å²	42	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-55.2	-51.6	173.5	-175.3	-90.9	0	0	0	111.9	V391 D393 A394 R399 I400 K401 C421 D423 Y427 F428 V429	V391-F397 HydrophobicContact CG2-CB 4.08Å; V391-F397 HydrophobicContact CG2-CD2 4.45Å; D393-F397 PolarHBondContact O-N 3.12Å; A394-F397 PolarHBondContact O-N 3.36Å; F397-R399 PolarHBondContact O-N 3.07Å; F397-I400 PolarHBondContact O-N 2.86Å; F397-K401 HydrophobicContact CE1-CD 4.13Å; F397-K401 WeakPolarHBondContact O-CB 3.18Å; F397-K401 PolarHBondContact O-N 3.27Å; F397-C421 HydrophobicContact CE2-CB 3.71Å; F397-C421 HydrophobicContact CZ-CB 3.74Å; F397-D423 HydrophobicContact CD1-CB 3.95Å; F397-D423 HydrophobicContact CD2-CB 4.14Å; F397-D423 HydrophobicContact CE1-CB 3.63Å; F397-D423 VanDerWaalsContact CE1-CG 3.48Å; F397-D423 HydrophobicContact CE2-CB 3.8Å; F397-D423 HydrophobicContact CG-CB 4.2Å; F397-D423 HydrophobicContact CZ-CB 3.55Å; F397-Y427 HydrophobicContact CB-CD1 4.14Å; F397-Y427 HydrophobicContact CB-CG 4.44Å; F397-Y427 HydrophobicContact CG-CD1 4.44Å; F397-F428 WeakPolarHBondContact CE2-O 3.33Å; F397-V429 HydrophobicContact CD2-CG2 3.91Å; F397-V429 HydrophobicContact CE2-CG2 4.13Å
398	A	98.7	Very high	98.7	Very high	57 Å²	57	45.5 Å²	45.5	47%	0.471	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-42.4	179.8	0	0	0	0	0	112.6	A394 S396 K401 K402	A394-A398 WeakPolarHBondContact O-CB 3.14Å; A394-A398 PolarHBondContact O-N 2.69Å; S396-A398 PolarHBondContact O-N 3.3Å; A398-K401 PolarHBondContact O-N 3.22Å; A398-K402 PolarHBondContact O-N 2.99Å
399	R	98.6	Very high	98.7	Very high	85 Å²	85	49.8 Å²	49.8	32%	0.321	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-46.5	175.4	-179.8	-178.8	65.1	-103.7	-3.6	111.4	K395 S396 F397 K402 W403 I448 F449	K395-R399 WeakPolarHBondContact O-CB 3.3Å; K395-R399 PolarHBondContact O-N 3.35Å; S396-R399 PolarHBondContact O-N 2.97Å; S396-R399 PolarHBondContact OG-NH1 3.23Å; S396-R399 PolarHBondContact OG-NH2 3.01Å; F397-R399 PolarHBondContact O-N 3.07Å; R399-K402 WeakPolarHBondContact O-CB 3.16Å; R399-K402 PolarHBondContact O-N 3.29Å; R399-W403 VanDerWaalsContact O-CD1 3.28Å; R399-W403 PolarHBondContact O-N 2.93Å; R399-I448 PolarHBondContact NE-O 3.31Å; R399-I448 PolarHBondContact NH2-O 3.06Å; R399-F449 PolarHBondContact NH2-O 3.41Å
400	I	98.8	Very high	98.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.3	-42.4	-178.1	-63.8	161.4	0	0	0	110.5	V391 S396 F397 K402 W403 L404 V429 I448 V452	V391-I400 HydrophobicContact CB-CD1 4.12Å; V391-I400 HydrophobicContact CG1-CD1 3.66Å; V391-I400 HydrophobicContact CG2-CD1 4.12Å; S396-I400 WeakPolarHBondContact O-CD1 3.14Å; S396-I400 WeakPolarHBondContact O-CG1 3.39Å; S396-I400 PolarHBondContact O-N 3.18Å; F397-I400 PolarHBondContact O-N 2.86Å; I400-K402 VanDerWaalsContact C-N 3.28Å; I400-K402 PolarHBondContact O-N 3.49Å; I400-W403 WeakPolarHBondContact O-CA 3.47Å; I400-W403 WeakPolarHBondContact O-CB 3.13Å; I400-W403 PolarHBondContact O-N 3.05Å; I400-L404 HydrophobicContact CG2-CG 4.47Å; I400-L404 WeakPolarHBondContact O-CG 3.37Å; I400-L404 PolarHBondContact O-N 3.18Å; I400-V429 HydrophobicContact CG2-CG1 3.83Å; I400-V429 HydrophobicContact CG2-CG2 4.21Å; I400-I448 HydrophobicContact CG1-CG2 4.06Å; I400-V452 HydrophobicContact CG2-CG2 4.06Å
401	K	98.7	Very high	98.6	Very high	83 Å²	83	56.9 Å²	56.9	36%	0.361	29%	0.293	S	S	.	.	H	α-helix	trans	-55.5	-42.7	174.7	-176.4	175.2	178.7	178	0	111.9	F397 A398 W403 L404 E405	F397-K401 HydrophobicContact CE1-CD 4.13Å; F397-K401 WeakPolarHBondContact O-CB 3.18Å; F397-K401 PolarHBondContact O-N 3.27Å; A398-K401 PolarHBondContact O-N 3.22Å; K401-W403 VanDerWaalsContact C-N 3.32Å; K401-W403 PolarHBondContact O-N 3.29Å; K401-L404 WeakPolarHBondContact O-CB 3.32Å; K401-L404 PolarHBondContact O-N 3.48Å; K401-L404 VanDerWaalsContact O-N 3.16Å; K401-E405 WeakPolarHBondContact CE-OE1 3.24Å; K401-E405 WeakPolarHBondContact O-CG 3.37Å; K401-E405 PolarHBondContact O-N 3.16Å
402	K	98.7	Very high	98.6	Very high	150 Å²	150	58 Å²	58	65%	0.652	30%	0.301	S	S	*	.	H	α-helix	trans	-58.5	-41.1	173.5	-178.9	-177.3	175.4	-174.3	0	112.4	A398 R399 I400 E405 H406	A398-K402 PolarHBondContact O-N 2.99Å; R399-K402 WeakPolarHBondContact O-CB 3.16Å; R399-K402 PolarHBondContact O-N 3.29Å; I400-K402 VanDerWaalsContact C-N 3.28Å; I400-K402 PolarHBondContact O-N 3.49Å; K402-E405 PolarHBondContact O-N 3Å; K402-H406 WeakPolarHBondContact O-CB 3.26Å; K402-H406 PolarHBondContact O-N 2.95Å
403	W	98.8	Very high	98.6	Very high	27 Å²	27	58.4 Å²	58.4	10%	0.102	30%	0.303	C	S	.	.	H	α-helix	trans	-68.3	-35.5	175.5	-80.5	109	0	0	0	113.2	R399 I400 K401 H406 A407 P442 I443 E446 I448	R399-W403 VanDerWaalsContact O-CD1 3.28Å; R399-W403 PolarHBondContact O-N 2.93Å; I400-W403 WeakPolarHBondContact O-CA 3.47Å; I400-W403 WeakPolarHBondContact O-CB 3.13Å; I400-W403 PolarHBondContact O-N 3.05Å; K401-W403 VanDerWaalsContact C-N 3.32Å; K401-W403 PolarHBondContact O-N 3.29Å; W403-H406 HydrophobicContact CE3-CB 4.44Å; W403-H406 AromaticContact CE3-CD2 3.89Å; W403-H406 AromaticContact CZ3-CD2 3.79Å; W403-H406 PolarHBondContact O-N 2.83Å; W403-A407 WeakPolarHBondContact O-CB 3.22Å; W403-A407 PolarHBondContact O-N 3.07Å; W403-P442 HydrophobicContact CH2-CB 4.05Å; W403-P442 HydrophobicContact CZ3-CB 4.2Å; W403-I443 HydrophobicContact CE3-CB 4.08Å; W403-I443 HydrophobicContact CE3-CD1 4.26Å; W403-I443 HydrophobicContact CE3-CG1 3.76Å; W403-I443 HydrophobicContact CZ3-CB 3.82Å; W403-I443 HydrophobicContact CZ3-CG1 4Å; W403-E446 HydrophobicContact CH2-CB 3.79Å; W403-E446 HydrophobicContact CH2-CG 4.19Å; W403-E446 HydrophobicContact CZ2-CB 3.51Å; W403-E446 HydrophobicContact CZ2-CG 4.19Å; W403-E446 WeakPolarHBondContact CZ2-OE2 3.26Å; W403-I448 HydrophobicContact CB-CD1 4.39Å; W403-I448 HydrophobicContact CB-CG2 4.34Å; W403-I448 HydrophobicContact CD2-CD1 4.19Å; W403-I448 HydrophobicContact CD2-CG1 4.01Å; W403-I448 HydrophobicContact CG-CD1 4.12Å; W403-I448 HydrophobicContact CG-CG1 3.93Å; W403-I448 HydrophobicContact CG-CG2 4.14Å
404	L	98.7	Very high	98.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-39.1	172.6	-62.7	-180	0	0	0	111.5	I400 K401 A407 R408 C421 V429 C432 V452	I400-L404 HydrophobicContact CG2-CG 4.47Å; I400-L404 WeakPolarHBondContact O-CG 3.37Å; I400-L404 PolarHBondContact O-N 3.18Å; K401-L404 WeakPolarHBondContact O-CB 3.32Å; K401-L404 PolarHBondContact O-N 3.48Å; K401-L404 VanDerWaalsContact O-N 3.16Å; L404-A407 PolarHBondContact O-N 2.79Å; L404-R408 WeakPolarHBondContact O-CG 3.39Å; L404-R408 PolarHBondContact O-N 3.34Å; L404-R408 PolarHBondContact O-NH1 2.91Å; L404-C421 HydrophobicContact CD1-CB 4.46Å; L404-V429 HydrophobicContact CD1-CG1 4.02Å; L404-C432 HydrophobicContact CD2-CB 3.82Å; L404-C432 VanDerWaalsContact CD2-SG 3.58Å; L404-V452 HydrophobicContact CD2-CG2 4.03Å
405	E	98.6	Very high	98.6	Very high	95 Å²	95	60 Å²	60	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-43.2	173.7	-71.9	168	179.7	0	0	111.8	K401 K402 A407 R408 S409	K401-E405 WeakPolarHBondContact CE-OE1 3.24Å; K401-E405 WeakPolarHBondContact O-CG 3.37Å; K401-E405 PolarHBondContact O-N 3.16Å; K402-E405 PolarHBondContact O-N 3Å; E405-A407 VanDerWaalsContact C-N 3.35Å; E405-A407 PolarHBondContact O-N 3.33Å; E405-R408 PolarHBondContact O-N 3.46Å; E405-R408 VanDerWaalsContact O-N 3.09Å; E405-S409 PolarHBondContact O-N 2.81Å; E405-S409 VanDerWaalsContact O-N 3.08Å; E405-S409 PolarHBondContact O-OG 3.41Å
406	H	98.7	Very high	98.6	Very high	53 Å²	53	54 Å²	54	25%	0.245	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-44.1	172	179.3	69.5	0	0	0	112.3	K402 W403 R408 S409 S410 E441	K402-H406 WeakPolarHBondContact O-CB 3.26Å; K402-H406 PolarHBondContact O-N 2.95Å; W403-H406 HydrophobicContact CE3-CB 4.44Å; W403-H406 AromaticContact CE3-CD2 3.89Å; W403-H406 AromaticContact CZ3-CD2 3.79Å; W403-H406 PolarHBondContact O-N 2.83Å; H406-R408 PolarHBondContact O-N 2.82Å; H406-S409 PolarHBondContact O-N 2.77Å; H406-S409 VanDerWaalsContact O-N 3.14Å; H406-S409 PolarHBondContact O-OG 3.36Å; H406-S410 WeakPolarHBondContact O-CB 3.25Å; H406-S410 PolarHBondContact O-N 3.17Å; H406-E441 IonicContact CD2-OE1 3.38Å; H406-E441 IonicContact CE1-OE1 3.8Å; H406-E441 PolarHBondContact CE1-OE1 3.44Å; H406-E441 IonicContact NE2-OE1 3.42Å; H406-E441 PolarHBondContact NE2-OE1 3.19Å; H406-E441 IonicContact NE2-OE2 3.53Å; H406-E441 PolarHBondContact NE2-OE2 3.08Å
407	A	98.6	Very high	98.6	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-21.4	176	0	0	0	0	0	113.9	W403 L404 E405 L413 I415 V434 I443	W403-A407 WeakPolarHBondContact O-CB 3.22Å; W403-A407 PolarHBondContact O-N 3.07Å; L404-A407 PolarHBondContact O-N 2.79Å; E405-A407 VanDerWaalsContact C-N 3.35Å; E405-A407 PolarHBondContact O-N 3.33Å; A407-L413 HydrophobicContact CB-CD1 4.2Å; A407-I415 HydrophobicContact CB-CD1 4.27Å; A407-I415 HydrophobicContact CB-CG1 4.13Å; A407-V434 HydrophobicContact CB-CG1 4.24Å; A407-V434 HydrophobicContact CB-CG2 4.15Å; A407-I443 HydrophobicContact CB-CD1 4.36Å
408	R	98.3	Very high	98.6	Very high	134 Å²	134	55.7 Å²	55.7	51%	0.506	30%	0.301	S	S	.	.	H	α-helix	trans	-85.6	-28.8	173.3	-67	-178.5	-157.6	103	-4.2	112.9	L404 E405 H406 I415 G419	L404-R408 WeakPolarHBondContact O-CG 3.39Å; L404-R408 PolarHBondContact O-N 3.34Å; L404-R408 PolarHBondContact O-NH1 2.91Å; E405-R408 PolarHBondContact O-N 3.46Å; E405-R408 VanDerWaalsContact O-N 3.09Å; H406-R408 PolarHBondContact O-N 2.82Å; R408-I415 HydrophobicContact CG-CD1 3.62Å; R408-G419 PolarHBondContact NH2-O 2.76Å
409	S	98.2	Very high	98.5	Very high	90 Å²	90	53.2 Å²	53.2	63%	0.629	28%	0.281	S	S	*	.	H	α-helix	trans	-95.3	-26.8	-174.7	63.7	0	0	0	0	113.8	E405 H406	E405-S409 PolarHBondContact O-N 2.81Å; E405-S409 VanDerWaalsContact O-N 3.08Å; E405-S409 PolarHBondContact O-OG 3.41Å; H406-S409 PolarHBondContact O-N 2.77Å; H406-S409 VanDerWaalsContact O-N 3.14Å; H406-S409 PolarHBondContact O-OG 3.36Å
410	S	98.3	Very high	98.5	Very high	17 Å²	17	56.8 Å²	56.8	12%	0.119	30%	0.299	C	S	.	.			trans	-73	126.4	-178.3	-174.4	0	0	0	0	111.4	H406 S412 L413 E441	H406-S410 WeakPolarHBondContact O-CB 3.25Å; H406-S410 PolarHBondContact O-N 3.17Å; S410-S412 PolarHBondContact O-N 3.35Å; S410-S412 PolarHBondContact OG-OG 3.37Å; S410-L413 PolarHBondContact O-N 3.24Å; S410-E441 PolarHBondContact OG-OE1 2.84Å
411	P	98.2	Very high	98.5	Very high	136 Å²	136	58.6 Å²	58.6	88%	0.883	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.5	-177.8	29.3	-35.9	0	0	0	113.7
412	S	98.3	Very high	98.5	Very high	23 Å²	23	58.8 Å²	58.8	16%	0.161	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.6	176.3	58	0	0	0	0	113.2	S410 S436 K437 E441	S410-S412 PolarHBondContact O-N 3.35Å; S410-S412 PolarHBondContact OG-OG 3.37Å; S412-S436 CarbonylContact O-C 3.55Å; S412-S436 WeakPolarHBondContact O-CA 3.48Å; S412-K437 PolarHBondContact O-N 3.38Å; S412-E441 WeakPolarHBondContact OG-CG 3.33Å
413	L	98.8	Very high	98.4	Very high	12 Å²	12	55.4 Å²	55.4	6%	0.063	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.1	-174.3	-60.8	-175.6	0	0	0	111.7	A407 S410 V434 E435 S436 E441 I443	A407-L413 HydrophobicContact CB-CD1 4.2Å; S410-L413 PolarHBondContact O-N 3.24Å; L413-V434 HydrophobicContact CB-CG1 3.94Å; L413-V434 HydrophobicContact CD2-CG1 4.08Å; L413-V434 HydrophobicContact CG-CG1 4.4Å; L413-E435 WeakPolarHBondContact CA-O 3.47Å; L413-S436 WeakPolarHBondContact CD2-OG 3.45Å; L413-E441 HydrophobicContact CD1-CG 4.35Å; L413-E441 HydrophobicContact CD2-CG 3.88Å; L413-E441 HydrophobicContact CG-CG 4.12Å; L413-I443 HydrophobicContact CD1-CB 4.34Å; L413-I443 HydrophobicContact CD1-CD1 4.24Å; L413-I443 HydrophobicContact CD1-CG2 3.94Å; L413-I443 HydrophobicContact CD2-CG2 3.86Å
414	T	98.7	Very high	98.4	Very high	72 Å²	72	58 Å²	58	44%	0.442	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.6	173.3	-56.2	0	0	0	0	109.7	L416 V434 E435	T414-L416 HydrophobicContact CG2-CD2 4.26Å; T414-L416 PolarHBondContact O-N 3.03Å; T414-V434 CarbonylContact O-C 3.54Å; T414-V434 WeakPolarHBondContact O-CA 3.47Å; T414-E435 PolarHBondContact N-O 3.11Å; T414-E435 PolarHBondContact O-N 3.34Å
415	I	98.8	Very high	98.4	Very high	49 Å²	49	62 Å²	62	25%	0.251	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	115.8	170.5	-60.3	179.5	0	0	0	108.5	A407 R408 V434	A407-I415 HydrophobicContact CB-CD1 4.27Å; A407-I415 HydrophobicContact CB-CG1 4.13Å; R408-I415 HydrophobicContact CG-CD1 3.62Å; I415-V434 HydrophobicContact CG1-CG2 4.34Å
416	L	98.7	Very high	98.4	Very high	37 Å²	37	57.5 Å²	57.5	19%	0.194	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-36.5	178	-57.1	-175	0	0	0	112.3	W361 L369 T414 I433 E435	W361-L416 HydrophobicContact CH2-CD1 3.76Å; W361-L416 HydrophobicContact CZ2-CD1 3.67Å; L369-L416 HydrophobicContact CD2-CB 3.99Å; T414-L416 HydrophobicContact CG2-CD2 4.26Å; T414-L416 PolarHBondContact O-N 3.03Å; L416-I433 HydrophobicContact CB-CG2 4.41Å; L416-I433 HydrophobicContact CD1-CG2 4.11Å; L416-I433 PolarHBondContact N-O 3.41Å; L416-E435 HydrophobicContact CD1-CB 4.01Å; L416-E435 HydrophobicContact CD2-CB 3.93Å; L416-E435 HydrophobicContact CG-CB 3.96Å
417	A	98.5	Very high	98.4	Very high	14 Å²	14	56.6 Å²	56.6	12%	0.116	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	151.8	179.1	0	0	0	0	0	112	L369 C432 I433	L369-A417 HydrophobicContact CD2-CB 3.53Å; A417-C432 WeakPolarHBondContact O-CA 3.48Å; A417-I433 PolarHBondContact N-O 3.13Å; A417-I433 PolarHBondContact O-N 3.32Å
418	G	98.4	Very high	98.4	Very high	34 Å²	34	58.6 Å²	58.6	35%	0.351	33%	0.334	S	S	.	.			trans	74.4	-135.3	178.1	0	0	0	0	0	113.4	P431	G418-P431 WeakPolarHBondContact CA-O 3.31Å
419	G	97.4	Very high	98.5	Very high	5 Å²	5	52.3 Å²	52.3	5%	0.052	31%	0.31	C	S	.	.			trans	79.9	18.8	179.7	0	0	0	0	0	114.6	R408	R408-G419 PolarHBondContact NH2-O 2.76Å
420	K	98.2	Very high	98.5	Very high	160 Å²	160	51.3 Å²	51.3	70%	0.696	30%	0.296	S	S	*	.			trans	-100.7	151.9	169.2	-59.7	178.7	-176	176.1	0	110	E430	K420-E430 HydrophobicContact CB-CG 3.99Å; K420-E430 WeakPolarHBondContact O-CB 3.39Å; K420-E430 PolarHBondContact O-N 2.81Å
421	C	98.2	Very high	98.5	Very high	39 Å²	39	50.5 Å²	50.5	26%	0.264	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	145.3	174.5	60.2	0	0	0	0	109.8	F397 L404 F428 V429	F397-C421 HydrophobicContact CE2-CB 3.71Å; F397-C421 HydrophobicContact CZ-CB 3.74Å; L404-C421 HydrophobicContact CD1-CB 4.46Å; C421-F428 CarbonylContact C-O 3.5Å; C421-F428 WeakPolarHBondContact CA-O 3.4Å; C421-F428 WeakPolarHBondContact CB-O 3.4Å; C421-V429 HydrophobicContact CB-CB 4.43Å; C421-V429 HydrophobicContact CB-CG1 4.34Å; C421-V429 HydrophobicContact CB-CG2 4.04Å
422	D	98.6	Very high	98.5	Very high	87 Å²	87	44 Å²	44	47%	0.465	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	125.4	-179.3	-173.6	-18.8	0	0	0	108.6	S424 F428	D422-S424 WeakPolarHBondContact OD1-CB 3.48Å; D422-S424 PolarHBondContact OD1-N 3.34Å; D422-S424 PolarHBondContact OD1-OG 3.48Å; D422-S424 PolarHBondContact OD2-OG 3.4Å; D422-F428 PolarHBondContact N-O 3.09Å; D422-F428 PolarHBondContact O-N 3.46Å
423	D	98.4	Very high	98.6	Very high	79 Å²	79	43 Å²	43	42%	0.422	24%	0.241	S	C	.	.			trans	-110.7	15.9	178	60.4	-18	0	0	0	113.6	H87 F397 G426 Y427	H87-D423 PolarHBondContact NE2-O 3.3Å; F397-D423 HydrophobicContact CD1-CB 3.95Å; F397-D423 HydrophobicContact CD2-CB 4.14Å; F397-D423 HydrophobicContact CE1-CB 3.63Å; F397-D423 VanDerWaalsContact CE1-CG 3.48Å; F397-D423 HydrophobicContact CE2-CB 3.8Å; F397-D423 HydrophobicContact CG-CB 4.2Å; F397-D423 HydrophobicContact CZ-CB 3.55Å; D423-G426 VanDerWaalsContact CA-O 3.3Å; D423-G426 WeakPolarHBondContact CA-O 3.29Å; D423-Y427 HydrophobicContact CB-CD1 4.12Å
424	S	98.4	Very high	98.6	Very high	80 Å²	80	42.4 Å²	42.4	56%	0.559	24%	0.238	S	C	*	.	S	Bend	trans	-66.7	-36.9	-177.9	59.4	0	0	0	0	113.8	H87 D422	H87-S424 PolarHBondContact CE1-O 2.85Å; D422-S424 WeakPolarHBondContact OD1-CB 3.48Å; D422-S424 PolarHBondContact OD1-N 3.34Å; D422-S424 PolarHBondContact OD1-OG 3.48Å; D422-S424 PolarHBondContact OD2-OG 3.4Å
425	V	98.5	Very high	98.6	Very high	86 Å²	86	39.7 Å²	39.7	52%	0.521	22%	0.22	S	C	.	.	S	Bend	trans	-116.7	-45.9	-178.9	177.8	0	0	0	0	112.1	N86 H87	N86-V425 CarbonylContact C-O 3.53Å; N86-V425 VanDerWaalsContact CA-O 3.31Å; N86-V425 WeakPolarHBondContact CA-O 3.44Å; H87-V425 PolarHBondContact CD2-O 2.85Å; H87-V425 PolarHBondContact N-O 2.9Å; H87-V425 VanDerWaalsContact NE2-C 3.34Å; H87-V425 PolarHBondContact NE2-O 3.28Å
426	G	98.6	Very high	98.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-143.7	166.1	176.7	0	0	0	0	0	108.5	P84 D423 F428	P84-G426 CarbonylContact O-C 3.45Å; P84-G426 WeakPolarHBondContact O-CA 3.46Å; D423-G426 VanDerWaalsContact CA-O 3.3Å; D423-G426 WeakPolarHBondContact CA-O 3.29Å; G426-F428 WeakPolarHBondContact O-CD2 3.35Å; G426-F428 PolarHBondContact O-N 2.92Å
427	Y	98.8	Very high	98.6	Very high	34 Å²	34	41.9 Å²	41.9	13%	0.133	23%	0.226	C	C	.	.			trans	-79.5	64.1	-176.5	-55	-61.6	0	0	0	111.9	V82 P84 H87 A390 V391 A394 F397 D423	V82-Y427 HydrophobicContact CG2-CE2 4.4Å; P84-Y427 PolarHBondContact O-N 3.1Å; H87-Y427 HydrophobicContact CB-CE2 3.93Å; H87-Y427 AromaticContact CD2-CE1 3.78Å; H87-Y427 AromaticContact CD2-CZ 3.85Å; A390-Y427 CarbonylContact C-O 3.56Å; A390-Y427 VanDerWaalsContact CA-O 3.31Å; A390-Y427 WeakPolarHBondContact CA-O 3.44Å; A390-Y427 WeakPolarHBondContact CB-O 3.1Å; V391-Y427 WeakPolarHBondContact CG2-O 3.5Å; V391-Y427 PolarHBondContact N-O 3.37Å; V391-Y427 WeakPolarHBondContact O-CB 3.45Å; A394-Y427 HydrophobicContact CB-CD1 4.47Å; A394-Y427 HydrophobicContact CB-CE1 3.71Å; F397-Y427 HydrophobicContact CB-CD1 4.14Å; F397-Y427 HydrophobicContact CB-CG 4.44Å; F397-Y427 HydrophobicContact CG-CD1 4.44Å; D423-Y427 HydrophobicContact CB-CD1 4.12Å
428	F	98.9	Very high	98.6	Very high	43 Å²	43	44.2 Å²	44.2	19%	0.189	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.3	-171.6	-70.7	-72.3	0	0	0	112.7	F85 V377 A390 F397 C421 D422 G426	F85-F428 HydrophobicContact CB-CE1 4.16Å; F85-F428 HydrophobicContact CB-CE2 4.44Å; F85-F428 HydrophobicContact CB-CZ 3.68Å; V377-F428 HydrophobicContact CG1-CD1 3.66Å; V377-F428 HydrophobicContact CG1-CE1 4.23Å; A390-F428 HydrophobicContact CB-CD1 3.88Å; A390-F428 HydrophobicContact CB-CE1 3.95Å; A390-F428 HydrophobicContact CB-CG 4.26Å; A390-F428 HydrophobicContact CB-CZ 4.37Å; F397-F428 WeakPolarHBondContact CE2-O 3.33Å; C421-F428 CarbonylContact C-O 3.5Å; C421-F428 WeakPolarHBondContact CA-O 3.4Å; C421-F428 WeakPolarHBondContact CB-O 3.4Å; D422-F428 PolarHBondContact N-O 3.09Å; D422-F428 PolarHBondContact O-N 3.46Å; G426-F428 WeakPolarHBondContact O-CD2 3.35Å; G426-F428 PolarHBondContact O-N 2.92Å
429	V	98.9	Very high	98.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.4	171.8	-174.6	0	0	0	0	108.4	F388 V391 F397 I400 L404 C421 P451	F388-V429 WeakPolarHBondContact CE2-O 3.39Å; V391-V429 HydrophobicContact CG1-CG2 4.24Å; V391-V429 HydrophobicContact CG2-CG2 4.25Å; F397-V429 HydrophobicContact CD2-CG2 3.91Å; F397-V429 HydrophobicContact CE2-CG2 4.13Å; I400-V429 HydrophobicContact CG2-CG1 3.83Å; I400-V429 HydrophobicContact CG2-CG2 4.21Å; L404-V429 HydrophobicContact CD1-CG1 4.02Å; C421-V429 HydrophobicContact CB-CB 4.43Å; C421-V429 HydrophobicContact CB-CG1 4.34Å; C421-V429 HydrophobicContact CB-CG2 4.04Å; V429-P451 HydrophobicContact CB-CG 4.01Å; V429-P451 HydrophobicContact CG1-CG 3.92Å
430	E	98.6	Very high	98.6	Very high	70 Å²	70	46.1 Å²	46.1	33%	0.327	24%	0.237	S	C	.	.			trans	-63.9	147.1	175.3	-72	-65.7	142.9	0	0	110.8	K420 C432	K420-E430 HydrophobicContact CB-CG 3.99Å; K420-E430 WeakPolarHBondContact O-CB 3.39Å; K420-E430 PolarHBondContact O-N 2.81Å; E430-C432 PolarHBondContact O-N 3.33Å
431	P	98.8	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.			trans	-58.8	129.2	173.5	26.1	-30.6	0	0	0	109.3	F341 H372 I375 F388 G418	F341-P431 HydrophobicContact CD1-CB 3.73Å; F341-P431 HydrophobicContact CD2-CB 3.91Å; F341-P431 HydrophobicContact CE1-CB 3.8Å; F341-P431 HydrophobicContact CE2-CB 3.94Å; F341-P431 HydrophobicContact CG-CB 3.8Å; F341-P431 HydrophobicContact CZ-CB 3.9Å; H372-P431 PolarHBondContact CD2-O 3.4Å; H372-P431 PolarHBondContact NE2-O 3.04Å; I375-P431 HydrophobicContact CB-CG 4.2Å; I375-P431 HydrophobicContact CD1-CB 4.32Å; I375-P431 HydrophobicContact CD1-CG 4.06Å; I375-P431 HydrophobicContact CG2-CG 3.89Å; F388-P431 HydrophobicContact CE1-CB 4.01Å; F388-P431 HydrophobicContact CE1-CG 4Å; F388-P431 HydrophobicContact CZ-CB 4.17Å; F388-P431 HydrophobicContact CZ-CG 4.27Å; G418-P431 WeakPolarHBondContact CA-O 3.31Å
432	C	98.9	Very high	98.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.7	-174.9	-172.2	0	0	0	0	110.1	L404 A417 E430 P451 V452 L453	L404-C432 HydrophobicContact CD2-CB 3.82Å; L404-C432 VanDerWaalsContact CD2-SG 3.58Å; A417-C432 WeakPolarHBondContact O-CA 3.48Å; E430-C432 PolarHBondContact O-N 3.33Å; C432-P451 PolarHBondContact N-O 3.32Å; C432-V452 HydrophobicContact CB-CG2 4.32Å; C432-L453 PolarHBondContact O-N 3.48Å
433	I	98.9	Very high	98.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.4	173.5	-55.8	174.6	0	0	0	107.8	F341 L368 H372 L416 A417 L453 V455	F341-I433 HydrophobicContact CE2-CG1 4.35Å; F341-I433 HydrophobicContact CZ-CD1 4.45Å; F341-I433 HydrophobicContact CZ-CG1 3.81Å; L368-I433 HydrophobicContact CB-CD1 4.14Å; H372-I433 HydrophobicContact CB-CD1 4.37Å; L416-I433 HydrophobicContact CB-CG2 4.41Å; L416-I433 HydrophobicContact CD1-CG2 4.11Å; L416-I433 PolarHBondContact N-O 3.41Å; A417-I433 PolarHBondContact N-O 3.13Å; A417-I433 PolarHBondContact O-N 3.32Å; I433-L453 WeakPolarHBondContact CA-O 3.26Å; I433-V455 HydrophobicContact CG2-CG2 3.89Å
434	V	98.9	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.6	-177.8	-173.1	0	0	0	0	108.8	A407 L413 T414 I415 V452 L453 S454 V455	A407-V434 HydrophobicContact CB-CG1 4.24Å; A407-V434 HydrophobicContact CB-CG2 4.15Å; L413-V434 HydrophobicContact CB-CG1 3.94Å; L413-V434 HydrophobicContact CD2-CG1 4.08Å; L413-V434 HydrophobicContact CG-CG1 4.4Å; T414-V434 CarbonylContact O-C 3.54Å; T414-V434 WeakPolarHBondContact O-CA 3.47Å; I415-V434 HydrophobicContact CG1-CG2 4.34Å; V434-V452 HydrophobicContact CG2-CG1 4.32Å; V434-L453 PolarHBondContact N-O 3.37Å; V434-S454 CarbonylContact O-C 3.56Å; V434-S454 VanDerWaalsContact O-CA 3.31Å; V434-S454 WeakPolarHBondContact O-CA 3.12Å; V434-V455 PolarHBondContact O-N 3.19Å
435	E	98.9	Very high	98.7	Very high	14 Å²	14	31.3 Å²	31.3	7%	0.065	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.8	168	-169.4	174.3	166.3	0	0	109	K365 L413 T414 L416 K437 V455	K365-E435 IonicContact NZ-OE2 2.66Å; L413-E435 WeakPolarHBondContact CA-O 3.47Å; T414-E435 PolarHBondContact N-O 3.11Å; T414-E435 PolarHBondContact O-N 3.34Å; L416-E435 HydrophobicContact CD1-CB 4.01Å; L416-E435 HydrophobicContact CD2-CB 3.93Å; L416-E435 HydrophobicContact CG-CB 3.96Å; E435-K437 IonicContact OE1-NZ 2.64Å; E435-K437 PolarHBondContact OE1-NZ 2.66Å; E435-V455 CarbonylContact C-O 3.51Å; E435-V455 WeakPolarHBondContact CA-O 3.31Å
436	S	98.8	Very high	98.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.9	169.8	-172.9	0	0	0	0	110.5	S412 L413 D438 V455 Y456	S412-S436 CarbonylContact O-C 3.55Å; S412-S436 WeakPolarHBondContact O-CA 3.48Å; L413-S436 WeakPolarHBondContact CD2-OG 3.45Å; S436-D438 VanDerWaalsContact C-N 3.35Å; S436-D438 PolarHBondContact OG-N 2.88Å; S436-D438 VanDerWaalsContact OG-N 3.1Å; S436-D438 PolarHBondContact OG-O 3.4Å; S436-V455 PolarHBondContact N-O 3.37Å; S436-Y456 WeakPolarHBondContact O-CD2 3.34Å
437	K	98.7	Very high	98.6	Very high	132 Å²	132	34.4 Å²	34.4	57%	0.574	16%	0.164	S	C	*	.	S	Bend	trans	-85.1	-12	167.5	-58.4	-54.3	-174.6	-177.5	0	112.8	S412 E435	S412-K437 PolarHBondContact O-N 3.38Å; E435-K437 IonicContact OE1-NZ 2.64Å; E435-K437 PolarHBondContact OE1-NZ 2.66Å
438	D	98.5	Very high	98.6	Very high	63 Å²	63	33 Å²	33	34%	0.337	16%	0.159	S	C	.	.			trans	-114.9	115.2	177.8	179.2	6.8	0	0	0	110.1	S436 Q440 E441	S436-D438 VanDerWaalsContact C-N 3.35Å; S436-D438 PolarHBondContact OG-N 2.88Å; S436-D438 VanDerWaalsContact OG-N 3.1Å; S436-D438 PolarHBondContact OG-O 3.4Å; D438-Q440 PolarHBondContact O-N 2.81Å; D438-Q440 VanDerWaalsContact O-N 3.17Å; D438-Q440 WeakPolarHBondContact OD1-CA 3.32Å; D438-Q440 WeakPolarHBondContact OD1-CB 3.4Å; D438-Q440 PolarHBondContact OD1-N 3.2Å; D438-E441 HydrophobicContact CB-CB 4.27Å; D438-E441 PolarHBondContact O-N 3.23Å
439	P	98.3	Very high	98.5	Very high	17 Å²	17	32.4 Å²	32.4	11%	0.11	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.6	177.9	29.7	-32.3	0	0	0	112.9	Y456 L469 T473	P439-Y456 HydrophobicContact CB-CD1 4.03Å; P439-Y456 HydrophobicContact CB-CD2 3.91Å; P439-Y456 HydrophobicContact CB-CE1 3.95Å; P439-Y456 HydrophobicContact CB-CE2 3.89Å; P439-Y456 HydrophobicContact CB-CG 3.99Å; P439-Y456 VanDerWaalsContact CD-CE2 3.44Å; P439-Y456 HydrophobicContact CG-CD2 4.4Å; P439-Y456 HydrophobicContact CG-CE1 4.26Å; P439-Y456 HydrophobicContact CG-CE2 3.88Å; P439-L469 HydrophobicContact CB-CD1 4.25Å; P439-L469 HydrophobicContact CG-CD1 4.04Å; P439-T473 VanDerWaalsContact O-CG2 3.28Å; P439-T473 WeakPolarHBondContact O-CG2 3.03Å
440	Q	98.5	Very high	98.5	Very high	62 Å²	62	32.7 Å²	32.7	29%	0.29	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	8.7	-176.9	-65.9	-71	-17.6	0	0	113.7	D438 K445 T473	D438-Q440 PolarHBondContact O-N 2.81Å; D438-Q440 VanDerWaalsContact O-N 3.17Å; D438-Q440 WeakPolarHBondContact OD1-CA 3.32Å; D438-Q440 WeakPolarHBondContact OD1-CB 3.4Å; D438-Q440 PolarHBondContact OD1-N 3.2Å; Q440-K445 WeakPolarHBondContact O-CE 3.43Å; Q440-K445 PolarHBondContact O-NZ 3.21Å; Q440-T473 PolarHBondContact NE2-OG1 3.37Å
441	E	98.6	Very high	98.5	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.033	14%	0.144	C	C	.	.			trans	-58	142.3	178.4	-143.1	-74.7	159.4	0	0	111.2	H406 S410 S412 L413 D438 I443 M444	H406-E441 IonicContact CD2-OE1 3.38Å; H406-E441 IonicContact CE1-OE1 3.8Å; H406-E441 PolarHBondContact CE1-OE1 3.44Å; H406-E441 IonicContact NE2-OE1 3.42Å; H406-E441 PolarHBondContact NE2-OE1 3.19Å; H406-E441 IonicContact NE2-OE2 3.53Å; H406-E441 PolarHBondContact NE2-OE2 3.08Å; S410-E441 PolarHBondContact OG-OE1 2.84Å; S412-E441 WeakPolarHBondContact OG-CG 3.33Å; L413-E441 HydrophobicContact CD1-CG 4.35Å; L413-E441 HydrophobicContact CD2-CG 3.88Å; L413-E441 HydrophobicContact CG-CG 4.12Å; D438-E441 HydrophobicContact CB-CB 4.27Å; D438-E441 PolarHBondContact O-N 3.23Å; E441-I443 HydrophobicContact CB-CG2 4.32Å; E441-I443 PolarHBondContact O-N 2.97Å; E441-I443 VanDerWaalsContact O-N 3.11Å; E441-I443 VanDerWaalsContact OE2-CB 3.27Å; E441-I443 WeakPolarHBondContact OE2-CB 3.47Å; E441-I443 VanDerWaalsContact OE2-CG2 3.23Å; E441-I443 WeakPolarHBondContact OE2-CG2 2.97Å; E441-I443 PolarHBondContact OE2-N 3.21Å; E441-M444 HydrophobicContact CB-CG 4.31Å; E441-M444 WeakPolarHBondContact O-CA 3.24Å; E441-M444 VanDerWaalsContact O-CB 3.27Å; E441-M444 WeakPolarHBondContact O-CB 3.35Å; E441-M444 PolarHBondContact O-N 3.28Å
442	P	98.5	Very high	98.5	Very high	55 Å²	55	29.5 Å²	29.5	36%	0.357	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-44.5	-39.5	175	-33.6	35.4	0	0	0	116	W403 M444 K445 E446	W403-P442 HydrophobicContact CH2-CB 4.05Å; W403-P442 HydrophobicContact CZ3-CB 4.2Å; P442-M444 PolarHBondContact O-N 3.42Å; P442-K445 WeakPolarHBondContact O-CA 3.14Å; P442-K445 PolarHBondContact O-N 3.45Å; P442-E446 PolarHBondContact O-N 3.47Å
443	I	98.4	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-64.3	-22.5	176.8	-151.9	172.5	0	0	0	112.3	K318 W403 A407 L413 E441 K445 I448 V452 S454	K318-I443 WeakPolarHBondContact CE-O 3.38Å; K318-I443 PolarHBondContact NZ-O 3.03Å; W403-I443 HydrophobicContact CE3-CB 4.08Å; W403-I443 HydrophobicContact CE3-CD1 4.26Å; W403-I443 HydrophobicContact CE3-CG1 3.76Å; W403-I443 HydrophobicContact CZ3-CB 3.82Å; W403-I443 HydrophobicContact CZ3-CG1 4Å; A407-I443 HydrophobicContact CB-CD1 4.36Å; L413-I443 HydrophobicContact CD1-CB 4.34Å; L413-I443 HydrophobicContact CD1-CD1 4.24Å; L413-I443 HydrophobicContact CD1-CG2 3.94Å; L413-I443 HydrophobicContact CD2-CG2 3.86Å; E441-I443 HydrophobicContact CB-CG2 4.32Å; E441-I443 PolarHBondContact O-N 2.97Å; E441-I443 VanDerWaalsContact O-N 3.11Å; E441-I443 VanDerWaalsContact OE2-CB 3.27Å; E441-I443 WeakPolarHBondContact OE2-CB 3.47Å; E441-I443 VanDerWaalsContact OE2-CG2 3.23Å; E441-I443 WeakPolarHBondContact OE2-CG2 2.97Å; E441-I443 PolarHBondContact OE2-N 3.21Å; I443-K445 VanDerWaalsContact C-N 3.34Å; I443-I448 HydrophobicContact CD1-CD1 4.33Å; I443-I448 HydrophobicContact CG1-CD1 3.71Å; I443-V452 HydrophobicContact CD1-CG1 4.14Å; I443-S454 WeakPolarHBondContact CG2-OG 3.27Å
444	M	98.7	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-86.7	0.3	172.2	-62	-67.8	-74.5	0	0	112.7	R353 Y355 E441 P442 S454 T473 T474	R353-M444 HydrophobicContact CB-CE 3.9Å; R353-M444 HydrophobicContact CB-SD 4.3Å; R353-M444 WeakPolarHBondContact CD-O 3.44Å; R353-M444 HydrophobicContact CG-CE 4.01Å; R353-M444 HydrophobicContact CG-SD 3.96Å; Y355-M444 HydrophobicContact CE1-CE 4.05Å; Y355-M444 HydrophobicContact CE2-CE 4.09Å; Y355-M444 WeakPolarHBondContact OH-CE 3.34Å; E441-M444 HydrophobicContact CB-CG 4.31Å; E441-M444 WeakPolarHBondContact O-CA 3.24Å; E441-M444 VanDerWaalsContact O-CB 3.27Å; E441-M444 WeakPolarHBondContact O-CB 3.35Å; E441-M444 PolarHBondContact O-N 3.28Å; P442-M444 PolarHBondContact O-N 3.42Å; M444-S454 WeakPolarHBondContact SD-CB 3.4Å; M444-T473 HydrophobicContact CB-CG2 4.32Å; M444-T474 VanDerWaalsContact O-CG2 3.3Å; M444-T474 WeakPolarHBondContact O-CG2 3.36Å
445	K	98.7	Very high	98.6	Very high	72 Å²	72	29.5 Å²	29.5	31%	0.313	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-42	-175.7	-66.2	-179.7	169.4	160.2	0	113.3	Q440 P442 I443 T473	Q440-K445 WeakPolarHBondContact O-CE 3.43Å; Q440-K445 PolarHBondContact O-NZ 3.21Å; P442-K445 WeakPolarHBondContact O-CA 3.14Å; P442-K445 PolarHBondContact O-N 3.45Å; I443-K445 VanDerWaalsContact C-N 3.34Å; K445-T473 VanDerWaalsContact CE-O 3.29Å; K445-T473 WeakPolarHBondContact CE-O 3.29Å; K445-T473 HydrophobicContact CG-CG2 3.96Å; K445-T473 WeakPolarHBondContact CG-O 3.38Å
446	E	98.3	Very high	98.6	Very high	104 Å²	104	30.7 Å²	30.7	49%	0.486	15%	0.149	S	C	.	.	S	Bend	trans	-94	134.2	-170.1	-64.2	-179.2	-138.4	0	0	112	K318 W403 P442 I448	K318-E446 VanDerWaalsContact CD-O 3.24Å; K318-E446 WeakPolarHBondContact CD-O 3.43Å; K318-E446 WeakPolarHBondContact CE-O 3.48Å; K318-E446 PolarHBondContact NZ-O 3.29Å; W403-E446 HydrophobicContact CH2-CB 3.79Å; W403-E446 HydrophobicContact CH2-CG 4.19Å; W403-E446 HydrophobicContact CZ2-CB 3.51Å; W403-E446 HydrophobicContact CZ2-CG 4.19Å; W403-E446 WeakPolarHBondContact CZ2-OE2 3.26Å; P442-E446 PolarHBondContact O-N 3.47Å; E446-I448 PolarHBondContact O-N 3.45Å
447	E	98	Very high	98.6	Very high	47 Å²	47	32 Å²	32	22%	0.22	16%	0.157	C	C	.	.			trans	-69.2	122.6	176.8	-176.8	177.3	-136.3	0	0	110.6	G316 G317 F449	G316-E447 WeakPolarHBondContact CA-OE1 3.37Å; G317-E447 PolarHBondContact N-OE1 2.96Å; G317-E447 WeakPolarHBondContact O-CG 3.48Å; E447-F449 HydrophobicContact CG-CD2 4.18Å
448	I	98.1	Very high	98.6	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.026	13%	0.13	C	C	.	.			trans	-92.9	-38	-176.9	-59.2	172.3	0	0	0	110.8	R399 I400 W403 I443 E446 V452	R399-I448 PolarHBondContact NE-O 3.31Å; R399-I448 PolarHBondContact NH2-O 3.06Å; I400-I448 HydrophobicContact CG1-CG2 4.06Å; W403-I448 HydrophobicContact CB-CD1 4.39Å; W403-I448 HydrophobicContact CB-CG2 4.34Å; W403-I448 HydrophobicContact CD2-CD1 4.19Å; W403-I448 HydrophobicContact CD2-CG1 4.01Å; W403-I448 HydrophobicContact CG-CD1 4.12Å; W403-I448 HydrophobicContact CG-CG1 3.93Å; W403-I448 HydrophobicContact CG-CG2 4.14Å; I443-I448 HydrophobicContact CD1-CD1 4.33Å; I443-I448 HydrophobicContact CG1-CD1 3.71Å; E446-I448 PolarHBondContact O-N 3.45Å; I448-V452 HydrophobicContact CD1-CB 3.97Å; I448-V452 HydrophobicContact CD1-CG1 3.94Å; I448-V452 HydrophobicContact CG2-CB 4.47Å; I448-V452 HydrophobicContact CG2-CG2 4.27Å
449	F	97.7	Very high	98.6	Very high	29 Å²	29	25.5 Å²	25.5	13%	0.127	13%	0.132	C	C	.	.			trans	56.8	53.7	-175.1	-137.7	-101.3	0	0	0	112.2	F210 N211 Q346 R399 E447	F210-F449 HydrophobicContact CE1-CD1 4.01Å; F210-F449 AromaticContact CE1-CE1 3.63Å; F210-F449 HydrophobicContact CE1-CE1 3.63Å; F210-F449 HydrophobicContact CE2-CE1 4.27Å; F210-F449 AromaticContact CZ-CD1 3.68Å; F210-F449 HydrophobicContact CZ-CD1 3.68Å; F210-F449 AromaticContact CZ-CE1 3.34Å; F210-F449 HydrophobicContact CZ-CE1 3.34Å; N211-F449 HydrophobicContact CB-CE1 4.15Å; N211-F449 HydrophobicContact CB-CZ 4.21Å; N211-F449 WeakPolarHBondContact ND2-CZ 3.17Å; Q346-F449 VanDerWaalsContact C-CE1 3.41Å; Q346-F449 VanDerWaalsContact C-CZ 3.47Å; Q346-F449 HydrophobicContact CB-CD1 3.83Å; Q346-F449 HydrophobicContact CB-CE1 3.71Å; Q346-F449 HydrophobicContact CG-CD1 4.16Å; Q346-F449 WeakPolarHBondContact O-CE1 3.48Å; Q346-F449 WeakPolarHBondContact O-CZ 3.47Å; R399-F449 PolarHBondContact NH2-O 3.41Å; E447-F449 HydrophobicContact CG-CD2 4.18Å
450	G	98.6	Very high	98.6	Very high	8 Å²	8	26.5 Å²	26.5	8%	0.082	14%	0.136	C	C	.	.	S	Bend	trans	-162.3	171.7	-175.5	0	0	0	0	0	110.7	G344 V452	G344-G450 CarbonylContact O-C 3.36Å; G344-G450 WeakPolarHBondContact O-CA 3.46Å; G450-V452 PolarHBondContact O-N 3.34Å
451	P	98.8	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-82.2	59.2	-170.9	34.9	-36.3	0	0	0	111.3	F341 G344 F388 V429 C432	F341-P451 HydrophobicContact CD1-CB 3.91Å; G344-P451 WeakPolarHBondContact O-CD 3.22Å; F388-P451 HydrophobicContact CE2-CB 4.09Å; F388-P451 HydrophobicContact CE2-CG 4.07Å; F388-P451 HydrophobicContact CZ-CB 3.99Å; F388-P451 HydrophobicContact CZ-CG 4.21Å; V429-P451 HydrophobicContact CB-CG 4.01Å; V429-P451 HydrophobicContact CG1-CG 3.92Å; C432-P451 PolarHBondContact N-O 3.32Å
452	V	98.9	Very high	98.6	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	107	-175.8	-174.4	0	0	0	0	109.9	I400 L404 C432 V434 I443 I448 G450	I400-V452 HydrophobicContact CG2-CG2 4.06Å; L404-V452 HydrophobicContact CD2-CG2 4.03Å; C432-V452 HydrophobicContact CB-CG2 4.32Å; V434-V452 HydrophobicContact CG2-CG1 4.32Å; I443-V452 HydrophobicContact CD1-CG1 4.14Å; I448-V452 HydrophobicContact CD1-CB 3.97Å; I448-V452 HydrophobicContact CD1-CG1 3.94Å; I448-V452 HydrophobicContact CG2-CB 4.47Å; I448-V452 HydrophobicContact CG2-CG2 4.27Å; G450-V452 PolarHBondContact O-N 3.34Å
453	L	98.9	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.3	176.4	178.5	63.6	0	0	0	110	T336 A340 F341 L354 C432 I433 V434 V455	T336-L453 HydrophobicContact CG2-CD1 4.18Å; T336-L453 HydrophobicContact CG2-CD2 3.62Å; A340-L453 HydrophobicContact CB-CB 4.13Å; A340-L453 HydrophobicContact CB-CD1 4.21Å; A340-L453 HydrophobicContact CB-CD2 4.43Å; A340-L453 HydrophobicContact CB-CG 4.49Å; F341-L453 HydrophobicContact CE1-CB 4.16Å; F341-L453 HydrophobicContact CZ-CB 4.08Å; L354-L453 HydrophobicContact CB-CD1 4.1Å; C432-L453 PolarHBondContact O-N 3.48Å; I433-L453 WeakPolarHBondContact CA-O 3.26Å; V434-L453 PolarHBondContact N-O 3.37Å; L453-V455 HydrophobicContact CD2-CG2 4.39Å; L453-V455 HydrophobicContact CG-CG2 4.28Å
454	S	98.9	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.8	171.2	-57	0	0	0	0	110.5	S352 R353 L354 V434 I443 M444	S352-S454 PolarHBondContact O-N 2.91Å; R353-S454 CarbonylContact C-O 3.44Å; R353-S454 VanDerWaalsContact CA-O 3.29Å; R353-S454 WeakPolarHBondContact CA-O 3.41Å; L354-S454 PolarHBondContact N-O 3.36Å; V434-S454 CarbonylContact O-C 3.56Å; V434-S454 VanDerWaalsContact O-CA 3.31Å; V434-S454 WeakPolarHBondContact O-CA 3.12Å; I443-S454 WeakPolarHBondContact CG2-OG 3.27Å; M444-S454 WeakPolarHBondContact SD-CB 3.4Å
455	V	98.9	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.4	-176.7	-171.9	0	0	0	0	109.6	L354 V356 W361 I433 V434 E435 S436 L453	L354-V455 HydrophobicContact CB-CG1 4.34Å; L354-V455 HydrophobicContact CB-CG2 4.21Å; L354-V455 HydrophobicContact CD2-CG1 4.08Å; L354-V455 HydrophobicContact CD2-CG2 4.12Å; L354-V455 HydrophobicContact CG-CG1 4.35Å; L354-V455 CarbonylContact O-C 3.58Å; L354-V455 VanDerWaalsContact O-CA 3.31Å; L354-V455 WeakPolarHBondContact O-CA 3.36Å; V356-V455 HydrophobicContact CG2-CG1 3.88Å; W361-V455 HydrophobicContact CE3-CG1 4.39Å; W361-V455 HydrophobicContact CH2-CB 4.24Å; W361-V455 HydrophobicContact CH2-CG1 3.73Å; W361-V455 HydrophobicContact CH2-CG2 4.35Å; W361-V455 HydrophobicContact CZ2-CG1 4.42Å; W361-V455 HydrophobicContact CZ3-CG1 3.72Å; I433-V455 HydrophobicContact CG2-CG2 3.89Å; V434-V455 PolarHBondContact O-N 3.19Å; E435-V455 CarbonylContact C-O 3.51Å; E435-V455 WeakPolarHBondContact CA-O 3.31Å; S436-V455 PolarHBondContact N-O 3.37Å; L453-V455 HydrophobicContact CD2-CG2 4.39Å; L453-V455 HydrophobicContact CG-CG2 4.28Å
456	Y	98.9	Very high	98.6	Very high	40 Å²	40	40.7 Å²	40.7	16%	0.157	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.8	169.9	178.6	-105.2	0	0	0	109.9	L354 Y355 V356 S436 P439	L354-Y456 PolarHBondContact O-N 2.98Å; Y355-Y456 WeakPolarHBondContact CA-O 3.28Å; Y355-Y456 AromaticContact CD1-CD1 3.83Å; Y355-Y456 HydrophobicContact CD1-CD1 3.83Å; Y355-Y456 HydrophobicContact CD1-CG 4.45Å; Y355-Y456 HydrophobicContact CE1-CD1 4.14Å; V356-Y456 PolarHBondContact N-O 3.48Å; S436-Y456 WeakPolarHBondContact O-CD2 3.34Å; P439-Y456 HydrophobicContact CB-CD1 4.03Å; P439-Y456 HydrophobicContact CB-CD2 3.91Å; P439-Y456 HydrophobicContact CB-CE1 3.95Å; P439-Y456 HydrophobicContact CB-CE2 3.89Å; P439-Y456 HydrophobicContact CB-CG 3.99Å; P439-Y456 VanDerWaalsContact CD-CE2 3.44Å; P439-Y456 HydrophobicContact CG-CD2 4.4Å; P439-Y456 HydrophobicContact CG-CE1 4.26Å; P439-Y456 HydrophobicContact CG-CE2 3.88Å
457	V	98.9	Very high	98.6	Very high	28 Å²	28	35.8 Å²	35.8	17%	0.17	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.5	179.5	-173.9	0	0	0	0	108.8	V356 H358 W361	V356-V457 CarbonylContact O-C 3.54Å; V356-V457 VanDerWaalsContact O-CA 3.3Å; V356-V457 WeakPolarHBondContact O-CA 3.44Å; H358-V457 HydrophobicContact CB-CG1 4.39Å; W361-V457 HydrophobicContact CB-CG1 3.86Å; W361-V457 HydrophobicContact CB-CG2 4.38Å; W361-V457 HydrophobicContact CD2-CG2 3.61Å; W361-V457 HydrophobicContact CE3-CG2 4.31Å; W361-V457 HydrophobicContact CG-CB 4.45Å; W361-V457 HydrophobicContact CG-CG1 3.91Å; W361-V457 HydrophobicContact CG-CG2 3.63Å; W361-V457 HydrophobicContact CZ2-CG2 4.17Å
458	Y	98.9	Very high	98.6	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.8	-175.9	73	-89.9	0	0	0	111.6	F322 V323 V356 P357 H358 D460 T466	F322-Y458 HydrophobicContact CE2-CE1 4.1Å; F322-Y458 HydrophobicContact CZ-CE1 4.46Å; V323-Y458 PolarHBondContact O-OH 3.24Å; V356-Y458 WeakPolarHBondContact O-CD1 3.27Å; V356-Y458 PolarHBondContact O-N 3.11Å; P357-Y458 CarbonylContact C-O 3.59Å; P357-Y458 WeakPolarHBondContact CA-O 3.46Å; P357-Y458 HydrophobicContact CB-CE1 4.16Å; P357-Y458 HydrophobicContact CB-CE2 4.05Å; P357-Y458 VanDerWaalsContact N-CE1 3.3Å; H358-Y458 PolarHBondContact N-O 2.67Å; Y458-D460 PolarHBondContact O-N 3.07Å; Y458-T466 WeakPolarHBondContact CB-OG1 3.36Å; Y458-T466 HydrophobicContact CD1-CG2 3.82Å; Y458-T466 HydrophobicContact CD2-CG2 4.3Å; Y458-T466 WeakPolarHBondContact CD2-OG1 3.49Å; Y458-T466 HydrophobicContact CE1-CG2 4.34Å; Y458-T466 HydrophobicContact CG-CG2 3.81Å
459	P	98.6	Very high	98.6	Very high	57 Å²	57	40.5 Å²	40.5	37%	0.37	20%	0.198	S	C	.	.			trans	-62.7	132.3	172	-23.8	35.8	0	0	0	111.6	D461 K462	P459-D461 WeakPolarHBondContact CB-OD1 3.24Å; P459-D461 PolarHBondContact O-N 3.22Å; P459-D461 VanDerWaalsContact O-N 3.1Å; P459-K462 HydrophobicContact CB-CB 4.38Å; P459-K462 HydrophobicContact CB-CD 4.41Å; P459-K462 HydrophobicContact CB-CG 4.22Å; P459-K462 HydrophobicContact CG-CD 4.2Å; P459-K462 WeakPolarHBondContact O-CA 3.44Å; P459-K462 PolarHBondContact O-N 2.97Å
460	D	98.6	Very high	98.7	Very high	37 Å²	37	39.1 Å²	39.1	20%	0.198	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-50.2	-37.8	-177	-72.6	-119.6	0	0	0	114.6	R325 H358 S359 Y458 K462	R325-D460 WeakPolarHBondContact CB-OD1 3.4Å; H358-D460 PolarHBondContact N-OD2 3.25Å; S359-D460 WeakPolarHBondContact CB-OD1 3.31Å; S359-D460 WeakPolarHBondContact CB-OD2 3.42Å; S359-D460 PolarHBondContact N-OD2 2.78Å; S359-D460 VanDerWaalsContact OG-CG 3.32Å; S359-D460 PolarHBondContact OG-OD1 3.26Å; S359-D460 PolarHBondContact OG-OD2 3.06Å; Y458-D460 PolarHBondContact O-N 3.07Å; D460-K462 PolarHBondContact O-N 3.47Å
461	D	98	Very high	98.7	Very high	128 Å²	128	40.5 Å²	40.5	68%	0.684	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-73	-12.1	179.6	63.6	-25.2	0	0	0	113.6	P459	P459-D461 WeakPolarHBondContact CB-OD1 3.24Å; P459-D461 PolarHBondContact O-N 3.22Å; P459-D461 VanDerWaalsContact O-N 3.1Å
462	K	98.5	Very high	98.7	Very high	108 Å²	108	44.2 Å²	44.2	47%	0.47	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-103.7	23.5	178.3	-63	-168	178.3	-174.2	0	114	P459 D460 K464 E465 T466	P459-K462 HydrophobicContact CB-CB 4.38Å; P459-K462 HydrophobicContact CB-CD 4.41Å; P459-K462 HydrophobicContact CB-CG 4.22Å; P459-K462 HydrophobicContact CG-CD 4.2Å; P459-K462 WeakPolarHBondContact O-CA 3.44Å; P459-K462 PolarHBondContact O-N 2.97Å; D460-K462 PolarHBondContact O-N 3.47Å; K462-K464 VanDerWaalsContact C-N 3.29Å; K462-K464 PolarHBondContact O-N 2.73Å; K462-E465 VanDerWaalsContact C-OE2 3.26Å; K462-E465 WeakPolarHBondContact CA-OE2 3.12Å; K462-E465 PolarHBondContact O-N 2.71Å; K462-T466 WeakPolarHBondContact O-CB 3.46Å; K462-T466 PolarHBondContact O-N 3.34Å; K462-T466 PolarHBondContact O-OG1 2.87Å
463	Y	98.5	Very high	98.7	Very high	44 Å²	44	44.4 Å²	44.4	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-34.7	-176.1	85.7	-91.8	0	0	0	112.1	T466 L467 V489 E492	Y463-T466 PolarHBondContact O-N 2.98Å; Y463-L467 HydrophobicContact CD2-CD1 4.06Å; Y463-L467 HydrophobicContact CE2-CD1 4.24Å; Y463-L467 WeakPolarHBondContact O-CG 3.34Å; Y463-L467 PolarHBondContact O-N 3.42Å; Y463-V489 HydrophobicContact CE2-CG1 4.28Å; Y463-V489 HydrophobicContact CE2-CG2 4.41Å; Y463-E492 WeakPolarHBondContact CE2-OE1 3.39Å; Y463-E492 VanDerWaalsContact CZ-OE1 3.23Å; Y463-E492 PolarHBondContact OH-OE1 2.94Å
464	K	98.5	Very high	98.7	Very high	104 Å²	104	45 Å²	45	45%	0.452	23%	0.229	S	C	.	.	H	α-helix	trans	-67.2	-45.4	178.8	-63.1	-165.3	-174.7	-154.1	0	111.9	K462 T466 L467 Q468 E492	K462-K464 VanDerWaalsContact C-N 3.29Å; K462-K464 PolarHBondContact O-N 2.73Å; K464-T466 VanDerWaalsContact C-N 3.25Å; K464-T466 PolarHBondContact O-N 3.17Å; K464-L467 WeakPolarHBondContact O-CB 3.47Å; K464-L467 PolarHBondContact O-N 2.96Å; K464-Q468 PolarHBondContact O-N 3.01Å; K464-E492 WeakPolarHBondContact CE-OE1 3.47Å; K464-E492 VanDerWaalsContact CE-OE2 3.27Å; K464-E492 WeakPolarHBondContact CE-OE2 3.38Å; K464-E492 IonicContact NZ-OE1 3.4Å; K464-E492 IonicContact NZ-OE2 2.88Å; K464-E492 PolarHBondContact NZ-OE2 2.88Å
465	E	98.6	Very high	98.6	Very high	107 Å²	107	48.6 Å²	48.6	50%	0.5	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-37.9	173.8	-63.1	85.3	166.8	0	0	110.5	K462 Q468 L469	K462-E465 VanDerWaalsContact C-OE2 3.26Å; K462-E465 WeakPolarHBondContact CA-OE2 3.12Å; K462-E465 PolarHBondContact O-N 2.71Å; E465-Q468 WeakPolarHBondContact O-CB 3.47Å; E465-Q468 PolarHBondContact O-N 3.46Å; E465-L469 WeakPolarHBondContact O-CG 3.32Å; E465-L469 PolarHBondContact O-N 3.5Å
466	T	98.8	Very high	98.6	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-67.3	-36.6	176.9	-54.3	0	0	0	0	111.9	F322 Y355 Y458 K462 Y463 K464 Q468 L469 V470	F322-T466 HydrophobicContact CD2-CG2 4.42Å; F322-T466 HydrophobicContact CE2-CG2 3.91Å; Y355-T466 HydrophobicContact CD1-CG2 3.74Å; Y355-T466 HydrophobicContact CG-CG2 4.41Å; Y458-T466 WeakPolarHBondContact CB-OG1 3.36Å; Y458-T466 HydrophobicContact CD1-CG2 3.82Å; Y458-T466 HydrophobicContact CD2-CG2 4.3Å; Y458-T466 WeakPolarHBondContact CD2-OG1 3.49Å; Y458-T466 HydrophobicContact CE1-CG2 4.34Å; Y458-T466 HydrophobicContact CG-CG2 3.81Å; K462-T466 WeakPolarHBondContact O-CB 3.46Å; K462-T466 PolarHBondContact O-N 3.34Å; K462-T466 PolarHBondContact O-OG1 2.87Å; Y463-T466 PolarHBondContact O-N 2.98Å; K464-T466 VanDerWaalsContact C-N 3.25Å; K464-T466 PolarHBondContact O-N 3.17Å; T466-Q468 VanDerWaalsContact C-N 3.3Å; T466-Q468 PolarHBondContact O-N 3.36Å; T466-L469 WeakPolarHBondContact O-CB 3.47Å; T466-L469 PolarHBondContact O-N 2.86Å; T466-L469 VanDerWaalsContact O-N 3.14Å; T466-V470 WeakPolarHBondContact O-CG2 3.38Å; T466-V470 PolarHBondContact O-N 2.81Å
467	L	98.8	Very high	98.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-39.6	171.3	-71.5	169.5	0	0	0	111.9	F322 Y463 K464 L469 V470 D471 A493 V496 L497	F322-L467 HydrophobicContact CD1-CD2 3.83Å; F322-L467 HydrophobicContact CD2-CD2 3.94Å; F322-L467 HydrophobicContact CE1-CD2 3.7Å; F322-L467 HydrophobicContact CE1-CG 4.2Å; F322-L467 HydrophobicContact CE2-CD2 3.81Å; F322-L467 HydrophobicContact CE2-CG 4.01Å; F322-L467 HydrophobicContact CG-CD2 3.94Å; F322-L467 HydrophobicContact CZ-CD2 3.68Å; F322-L467 HydrophobicContact CZ-CG 3.78Å; Y463-L467 HydrophobicContact CD2-CD1 4.06Å; Y463-L467 HydrophobicContact CE2-CD1 4.24Å; Y463-L467 WeakPolarHBondContact O-CG 3.34Å; Y463-L467 PolarHBondContact O-N 3.42Å; K464-L467 WeakPolarHBondContact O-CB 3.47Å; K464-L467 PolarHBondContact O-N 2.96Å; L467-L469 VanDerWaalsContact C-N 3.33Å; L467-V470 PolarHBondContact O-N 3.09Å; L467-D471 PolarHBondContact O-N 2.73Å; L467-D471 VanDerWaalsContact O-N 3.12Å; L467-A493 HydrophobicContact CD1-CB 3.98Å; L467-A493 HydrophobicContact CD2-CB 3.83Å; L467-V496 HydrophobicContact CB-CB 4.47Å; L467-V496 HydrophobicContact CB-CG1 3.86Å; L467-L497 HydrophobicContact CD2-CD1 3.71Å; L467-L497 HydrophobicContact CD2-CD2 4.46Å; L467-L497 HydrophobicContact CD2-CG 4.12Å; L467-L497 WeakPolarHBondContact O-CD2 3.32Å
468	Q	98.7	Very high	98.6	Very high	104 Å²	104	47.1 Å²	47.1	49%	0.486	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-37.6	173.5	-62.9	-64.1	-25.8	0	0	111.8	K464 E465 T466 D471 S472	K464-Q468 PolarHBondContact O-N 3.01Å; E465-Q468 WeakPolarHBondContact O-CB 3.47Å; E465-Q468 PolarHBondContact O-N 3.46Å; T466-Q468 VanDerWaalsContact C-N 3.3Å; T466-Q468 PolarHBondContact O-N 3.36Å; Q468-D471 PolarHBondContact O-N 2.94Å; Q468-S472 WeakPolarHBondContact O-CB 3.39Å; Q468-S472 PolarHBondContact O-N 3.26Å; Q468-S472 PolarHBondContact O-OG 2.84Å
469	L	98.6	Very high	98.6	Very high	46 Å²	46	47.1 Å²	47.1	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-45.8	172.5	-70.6	172.2	0	0	0	111.4	P439 E465 T466 L467 D471 S472 T473	P439-L469 HydrophobicContact CB-CD1 4.25Å; P439-L469 HydrophobicContact CG-CD1 4.04Å; E465-L469 WeakPolarHBondContact O-CG 3.32Å; E465-L469 PolarHBondContact O-N 3.5Å; T466-L469 WeakPolarHBondContact O-CB 3.47Å; T466-L469 PolarHBondContact O-N 2.86Å; T466-L469 VanDerWaalsContact O-N 3.14Å; L467-L469 VanDerWaalsContact C-N 3.33Å; L469-D471 VanDerWaalsContact C-N 3.27Å; L469-D471 PolarHBondContact O-N 3.28Å; L469-S472 PolarHBondContact O-N 2.77Å; L469-T473 VanDerWaalsContact O-CB 3.27Å; L469-T473 WeakPolarHBondContact O-CB 3.37Å; L469-T473 PolarHBondContact O-N 3.42Å; L469-T473 PolarHBondContact O-OG1 2.86Å
470	V	98.8	Very high	98.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-54.6	-45.5	177.3	172.1	0	0	0	0	111.1	F320 F322 Y355 T466 L467 L497	F320-V470 HydrophobicContact CB-CG1 4.18Å; F320-V470 HydrophobicContact CD1-CG1 3.67Å; F320-V470 HydrophobicContact CD2-CG1 3.52Å; F320-V470 HydrophobicContact CE1-CG1 3.83Å; F320-V470 HydrophobicContact CE2-CG1 3.72Å; F320-V470 HydrophobicContact CG-CG1 3.5Å; F320-V470 VanDerWaalsContact CG-CG1 3.5Å; F320-V470 HydrophobicContact CZ-CG1 3.85Å; F322-V470 HydrophobicContact CD2-CG2 3.99Å; Y355-V470 HydrophobicContact CD1-CG2 3.97Å; Y355-V470 HydrophobicContact CD2-CG2 3.69Å; Y355-V470 HydrophobicContact CE1-CG2 4.02Å; Y355-V470 HydrophobicContact CE2-CG2 3.73Å; Y355-V470 HydrophobicContact CG-CG2 3.83Å; T466-V470 WeakPolarHBondContact O-CG2 3.38Å; T466-V470 PolarHBondContact O-N 2.81Å; L467-V470 PolarHBondContact O-N 3.09Å; V470-L497 HydrophobicContact CB-CD2 3.97Å; V470-L497 HydrophobicContact CG1-CD1 4.45Å; V470-L497 HydrophobicContact CG1-CD2 3.72Å
471	D	98.8	Very high	98.6	Very high	37 Å²	37	42.6 Å²	42.6	20%	0.198	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-43.8	179.4	-174.1	66.3	0	0	0	113.2	L467 Q468 L469 L497 A500 R524	L467-D471 PolarHBondContact O-N 2.73Å; L467-D471 VanDerWaalsContact O-N 3.12Å; Q468-D471 PolarHBondContact O-N 2.94Å; L469-D471 VanDerWaalsContact C-N 3.27Å; L469-D471 PolarHBondContact O-N 3.28Å; D471-L497 HydrophobicContact CB-CD2 4.19Å; D471-A500 WeakPolarHBondContact OD1-CB 3.41Å; D471-R524 PolarHBondContact O-NH1 2.84Å; D471-R524 IonicContact OD1-CZ 3.33Å; D471-R524 IonicContact OD1-NH1 3.81Å; D471-R524 IonicContact OD1-NH2 3.34Å; D471-R524 PolarHBondContact OD1-NH2 2.95Å; D471-R524 IonicContact OD2-NH2 2.69Å
472	S	98.6	Very high	98.6	Very high	77 Å²	77	36.6 Å²	36.6	54%	0.538	19%	0.186	S	C	.	.	H	α-helix	trans	-95.4	-17.2	-167.8	60.1	0	0	0	0	115.7	Q468 L469 T474	Q468-S472 WeakPolarHBondContact O-CB 3.39Å; Q468-S472 PolarHBondContact O-N 3.26Å; Q468-S472 PolarHBondContact O-OG 2.84Å; L469-S472 PolarHBondContact O-N 2.77Å; S472-T474 VanDerWaalsContact C-N 3.32Å; S472-T474 PolarHBondContact O-N 3.44Å
473	T	98.7	Very high	98.7	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.043	16%	0.164	C	C	.	.	S	Bend	trans	-64	-34.7	-172.5	-64.7	0	0	0	0	112.9	P439 Q440 M444 K445 L469	P439-T473 VanDerWaalsContact O-CG2 3.28Å; P439-T473 WeakPolarHBondContact O-CG2 3.03Å; Q440-T473 PolarHBondContact NE2-OG1 3.37Å; M444-T473 HydrophobicContact CB-CG2 4.32Å; K445-T473 VanDerWaalsContact CE-O 3.29Å; K445-T473 WeakPolarHBondContact CE-O 3.29Å; K445-T473 HydrophobicContact CG-CG2 3.96Å; K445-T473 WeakPolarHBondContact CG-O 3.38Å; L469-T473 VanDerWaalsContact O-CB 3.27Å; L469-T473 WeakPolarHBondContact O-CB 3.37Å; L469-T473 PolarHBondContact O-N 3.42Å; L469-T473 PolarHBondContact O-OG1 2.86Å
474	T	98.4	Very high	98.7	Very high	14 Å²	14	29.4 Å²	29.4	9%	0.086	16%	0.156	C	C	.	.			trans	-123.4	157	-168.5	84	0	0	0	0	112.4	K318 M444 S472 Y476	K318-T474 HydrophobicContact CB-CG2 4.07Å; K318-T474 HydrophobicContact CG-CG2 3.95Å; M444-T474 VanDerWaalsContact O-CG2 3.3Å; M444-T474 WeakPolarHBondContact O-CG2 3.36Å; S472-T474 VanDerWaalsContact C-N 3.32Å; S472-T474 PolarHBondContact O-N 3.44Å; T474-Y476 VanDerWaalsContact C-N 3.25Å; T474-Y476 PolarHBondContact O-N 3.15Å; T474-Y476 PolarHBondContact OG1-N 3.44Å
475	S	97.9	Very high	98.7	Very high	75 Å²	75	30.3 Å²	30.3	52%	0.524	16%	0.162	S	C	.	.	S	Bend	trans	-76.9	-6.8	172.3	55.7	0	0	0	0	114.4	R524 A525	S475-R524 WeakPolarHBondContact O-CB 3.3Å; S475-A525 WeakPolarHBondContact O-CB 3.47Å; S475-A525 PolarHBondContact O-N 3.39Å
476	Y	98.6	Very high	98.7	Very high	34 Å²	34	28 Å²	28	13%	0.133	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	162.2	-172	-63.7	-83.5	0	0	0	112.5	V288 G316 K318 T474 R524 A525	V288-Y476 HydrophobicContact CG2-CE1 3.91Å; G316-Y476 WeakPolarHBondContact O-CD1 3.4Å; K318-Y476 HydrophobicContact CB-CD2 3.6Å; K318-Y476 HydrophobicContact CB-CE2 4.22Å; K318-Y476 HydrophobicContact CB-CG 4.25Å; T474-Y476 VanDerWaalsContact C-N 3.25Å; T474-Y476 PolarHBondContact O-N 3.15Å; T474-Y476 PolarHBondContact OG1-N 3.44Å; Y476-R524 WeakPolarHBondContact O-CD 3.45Å; Y476-R524 PolarHBondContact O-NH1 3.49Å; Y476-A525 HydrophobicContact CD1-CB 4.14Å; Y476-A525 HydrophobicContact CE1-CB 4.38Å
477	G	98.5	Very high	98.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	37.5	-175.2	0	0	0	0	0	113.9	A500 G502 G522 A523 S526	G477-A500 WeakPolarHBondContact CA-O 3.23Å; G477-G502 PolarHBondContact O-N 3.48Å; G477-G522 WeakPolarHBondContact O-CA 3.24Å; G477-A523 PolarHBondContact O-N 3Å; G477-S526 PolarHBondContact N-OG 3.49Å
478	L	98.5	Very high	98.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	-91.9	-81.9	-169.8	-170.9	55.5	0	0	0	113.5	E314 C348 A501 G502 N503 F520 S526	E314-L478 WeakPolarHBondContact OE1-CD2 3.33Å; C348-L478 HydrophobicContact CB-CD2 3.64Å; C348-L478 VanDerWaalsContact O-CD2 3.23Å; C348-L478 WeakPolarHBondContact O-CD2 3.45Å; L478-A501 CarbonylContact O-C 3.51Å; L478-G502 PolarHBondContact O-N 2.63Å; L478-N503 PolarHBondContact O-N 3.2Å; L478-F520 HydrophobicContact CD1-CE1 3.91Å; L478-F520 HydrophobicContact CD1-CE2 4.39Å; L478-F520 HydrophobicContact CD1-CZ 3.75Å; L478-F520 HydrophobicContact CD2-CE1 4.35Å; L478-F520 HydrophobicContact CD2-CZ 3.93Å; L478-F520 HydrophobicContact CG-CE1 4.49Å; L478-F520 HydrophobicContact CG-CZ 3.93Å; L478-S526 WeakPolarHBondContact CB-OG 3.38Å; L478-S526 PolarHBondContact N-OG 2.97Å
479	T	98.8	Very high	98.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.5	178.7	74.9	0	0	0	0	113.2	N319 S349 N503 Y505 S510 F520	N319-T479 WeakPolarHBondContact CA-O 3.14Å; N319-T479 VanDerWaalsContact CB-O 3.31Å; N319-T479 WeakPolarHBondContact CB-O 3.24Å; N319-T479 WeakPolarHBondContact CB-OG1 3.2Å; N319-T479 PolarHBondContact OD1-N 2.91Å; N319-T479 PolarHBondContact OD1-O 3.01Å; N319-T479 PolarHBondContact OD1-OG1 3.06Å; N319-T479 VanDerWaalsContact OD1-OG1 3.13Å; S349-T479 PolarHBondContact O-OG1 3.11Å; T479-N503 VanDerWaalsContact CA-O 3.27Å; T479-N503 WeakPolarHBondContact CA-O 3.3Å; T479-N503 HydrophobicContact CG2-CB 3.99Å; T479-Y505 HydrophobicContact CG2-CE2 4.45Å; T479-S510 VanDerWaalsContact CB-O 3.3Å; T479-S510 WeakPolarHBondContact CB-O 3.49Å; T479-S510 WeakPolarHBondContact CG2-O 3.26Å; T479-S510 WeakPolarHBondContact OG1-CB 3.23Å; T479-S510 PolarHBondContact OG1-O 3.35Å; T479-S510 VanDerWaalsContact OG1-O 3.12Å; T479-F520 HydrophobicContact CG2-CE2 3.67Å; T479-F520 HydrophobicContact CG2-CZ 4.22Å
480	G	98.8	Very high	98.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	148.1	174.6	0	0	0	0	0	112.8	F320 N503 F504 Y505	F320-G480 CarbonylContact O-C 3.6Å; F320-G480 VanDerWaalsContact O-CA 3.26Å; F320-G480 WeakPolarHBondContact O-CA 3.3Å; G480-N503 PolarHBondContact N-O 3.26Å; G480-N503 VanDerWaalsContact N-O 3.15Å; G480-F504 CarbonylContact O-C 3.57Å; G480-F504 WeakPolarHBondContact O-CA 3.26Å; G480-Y505 PolarHBondContact O-N 3.46Å
481	A	98.9	Very high	98.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.3	-179.1	0	0	0	0	0	112.2	F320 F322 F483 Y505 D508	F320-A481 PolarHBondContact O-N 3.4Å; F322-A481 PolarHBondContact N-O 3.34Å; A481-F483 HydrophobicContact CB-CD2 4.35Å; A481-F483 HydrophobicContact CB-CE2 3.78Å; A481-Y505 CarbonylContact C-O 3.55Å; A481-Y505 VanDerWaalsContact CA-O 3.26Å; A481-Y505 WeakPolarHBondContact CA-O 3.36Å; A481-D508 VanDerWaalsContact CB-O 3.25Å; A481-D508 WeakPolarHBondContact CB-O 3.14Å
482	V	98.9	Very high	98.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.7	166.6	170.5	0	0	0	0	109.2	F322 A493 L497 F504 Y505 I506 N507	F322-V482 HydrophobicContact CB-CG2 4.27Å; F322-V482 HydrophobicContact CD1-CG1 4.27Å; F322-V482 HydrophobicContact CD1-CG2 4.19Å; F322-V482 CarbonylContact O-C 3.53Å; F322-V482 WeakPolarHBondContact O-CA 3.17Å; V482-A493 HydrophobicContact CG1-CB 4.21Å; V482-A493 HydrophobicContact CG2-CB 3.89Å; V482-L497 HydrophobicContact CG2-CD1 3.9Å; V482-F504 HydrophobicContact CB-CZ 4.07Å; V482-F504 HydrophobicContact CG2-CE2 3.84Å; V482-F504 HydrophobicContact CG2-CZ 3.49Å; V482-F504 VanDerWaalsContact CG2-CZ 3.49Å; V482-Y505 PolarHBondContact N-O 2.85Å; V482-I506 WeakPolarHBondContact O-CA 3.32Å; V482-N507 PolarHBondContact O-N 3.22Å
483	F	98.9	Very high	98.6	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.1	171.6	-67.5	-97.7	0	0	0	109	H321 F322 H324 A327 V332 A481 N507 D508	H321-F483 HydrophobicContact CB-CE2 4.27Å; H321-F483 AromaticContact CG-CE2 3.91Å; H321-F483 AromaticContact ND1-CE2 3.75Å; F322-F483 PolarHBondContact O-N 2.98Å; H324-F483 PolarHBondContact N-O 3.12Å; A327-F483 HydrophobicContact CB-CB 3.86Å; A327-F483 WeakPolarHBondContact CB-O 3.4Å; V332-F483 HydrophobicContact CG2-CB 3.56Å; V332-F483 HydrophobicContact CG2-CD1 3.76Å; V332-F483 HydrophobicContact CG2-CD2 4.32Å; V332-F483 HydrophobicContact CG2-CG 3.62Å; A481-F483 HydrophobicContact CB-CD2 4.35Å; A481-F483 HydrophobicContact CB-CE2 3.78Å; F483-N507 VanDerWaalsContact CA-OD1 3.29Å; F483-N507 WeakPolarHBondContact CA-OD1 3.19Å; F483-D508 VanDerWaalsContact CZ-O 3.23Å; F483-D508 WeakPolarHBondContact CZ-O 3.27Å
484	S	98.7	Very high	98.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	21%	0.206	C	C	.	.			trans	-163.2	136.5	-179.5	-179.2	0	0	0	0	110.1	H324 S326 D486 N507	H324-S484 PolarHBondContact ND1-OG 3.24Å; S326-S484 PolarHBondContact OG-OG 3.02Å; S326-S484 VanDerWaalsContact OG-OG 3.06Å; S484-D486 PolarHBondContact OG-N 2.77Å; S484-D486 PolarHBondContact OG-O 3.18Å; S484-N507 PolarHBondContact N-OD1 3.05Å; S484-N507 PolarHBondContact O-ND2 3.32Å; S484-N507 PolarHBondContact O-OD1 2.84Å
485	Q	98.6	Very high	98.6	Very high	123 Å²	123	47.1 Å²	47.1	58%	0.575	23%	0.234	S	C	*	.	S	Bend	trans	-92.1	-3.7	167.9	-60.3	-63.1	-24.2	0	0	112.4	S326	S326-Q485 VanDerWaalsContact O-CB 3.25Å; S326-Q485 WeakPolarHBondContact O-CB 3.49Å; S326-Q485 WeakPolarHBondContact O-CG 3.4Å; S326-Q485 PolarHBondContact O-N 2.74Å; S326-Q485 PolarHBondContact OG-N 2.93Å
486	D	98.5	Very high	98.6	Very high	58 Å²	58	45.5 Å²	45.5	31%	0.31	22%	0.221	S	C	.	.			trans	-89.9	116.9	177.6	-174	-37.5	0	0	0	110.2	S326 S484 D488 V489 V490	S326-D486 WeakPolarHBondContact OG-CB 3.34Å; S326-D486 PolarHBondContact OG-N 2.8Å; S326-D486 VanDerWaalsContact OG-N 3.17Å; S484-D486 PolarHBondContact OG-N 2.77Å; S484-D486 PolarHBondContact OG-O 3.18Å; D486-D488 PolarHBondContact O-N 2.93Å; D486-D488 PolarHBondContact OD1-N 3.46Å; D486-V489 HydrophobicContact CB-CB 4.1Å; D486-V489 HydrophobicContact CB-CG2 4.03Å; D486-V489 PolarHBondContact O-N 2.76Å; D486-V489 PolarHBondContact OD1-N 3.39Å; D486-V490 WeakPolarHBondContact O-CG2 3.47Å; D486-V490 PolarHBondContact O-N 3.28Å
487	K	98.1	Very high	98.6	Very high	168 Å²	168	43.9 Å²	43.9	73%	0.73	22%	0.215	S	C	*	.	H	α-helix	trans	-64.9	-35.5	-177.4	-71.5	-175.4	178.3	178.1	0	113.2	V490 Q491	K487-V490 PolarHBondContact O-N 3.26Å; K487-Q491 WeakPolarHBondContact O-CG 3.32Å; K487-Q491 PolarHBondContact O-N 2.82Å
488	D	98.3	Very high	98.6	Very high	118 Å²	118	53.1 Å²	53.1	63%	0.631	25%	0.25	S	C	*	.	H	α-helix	trans	-70.4	-40.3	-178.5	-68.2	-20.6	0	0	0	109.8	D486 Q491 E492	D486-D488 PolarHBondContact O-N 2.93Å; D486-D488 PolarHBondContact OD1-N 3.46Å; D488-Q491 PolarHBondContact O-N 2.65Å; D488-E492 WeakPolarHBondContact O-CB 3.48Å; D488-E492 PolarHBondContact O-N 3.33Å
489	V	98.1	Very high	98.6	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-40.8	173.7	176.7	0	0	0	0	111.6	H324 Y463 D486 Q491 E492 A493	H324-V489 HydrophobicContact CB-CG1 4.05Å; Y463-V489 HydrophobicContact CE2-CG1 4.28Å; Y463-V489 HydrophobicContact CE2-CG2 4.41Å; D486-V489 HydrophobicContact CB-CB 4.1Å; D486-V489 HydrophobicContact CB-CG2 4.03Å; D486-V489 PolarHBondContact O-N 2.76Å; D486-V489 PolarHBondContact OD1-N 3.39Å; V489-Q491 VanDerWaalsContact C-N 3.34Å; V489-Q491 PolarHBondContact O-N 3.21Å; V489-E492 PolarHBondContact O-N 3.41Å; V489-A493 VanDerWaalsContact O-CB 3.24Å; V489-A493 WeakPolarHBondContact O-CB 3.47Å; V489-A493 PolarHBondContact O-N 3.47Å
490	V	98.7	Very high	98.6	Very high	25 Å²	25	58.7 Å²	58.7	15%	0.152	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-45.9	175	168.2	0	0	0	0	110.7	D486 K487 T494 I506	D486-V490 WeakPolarHBondContact O-CG2 3.47Å; D486-V490 PolarHBondContact O-N 3.28Å; K487-V490 PolarHBondContact O-N 3.26Å; V490-T494 VanDerWaalsContact O-CB 3.25Å; V490-T494 WeakPolarHBondContact O-CB 3.37Å; V490-T494 PolarHBondContact O-N 3.21Å; V490-T494 PolarHBondContact O-OG1 3.44Å; V490-I506 HydrophobicContact CG1-CD1 3.53Å; V490-I506 HydrophobicContact CG1-CG1 4.08Å; V490-I506 HydrophobicContact CG1-CG2 4.03Å; V490-I506 HydrophobicContact CG2-CG2 4.08Å
491	Q	98.6	Very high	98.6	Very high	111 Å²	111	59 Å²	59	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-43.5	177.6	-72.5	179	20.3	0	0	112.3	K487 D488 V489 K495	K487-Q491 WeakPolarHBondContact O-CG 3.32Å; K487-Q491 PolarHBondContact O-N 2.82Å; D488-Q491 PolarHBondContact O-N 2.65Å; V489-Q491 VanDerWaalsContact C-N 3.34Å; V489-Q491 PolarHBondContact O-N 3.21Å; Q491-K495 WeakPolarHBondContact O-CG 3.07Å; Q491-K495 PolarHBondContact O-N 3.35Å; Q491-K495 VanDerWaalsContact O-N 3.14Å
492	E	98.6	Very high	98.6	Very high	53 Å²	53	60.5 Å²	60.5	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-50.6	178.1	-172.7	173.4	78	0	0	111.2	Y463 K464 D488 V489 T494 K495 V496	Y463-E492 WeakPolarHBondContact CE2-OE1 3.39Å; Y463-E492 VanDerWaalsContact CZ-OE1 3.23Å; Y463-E492 PolarHBondContact OH-OE1 2.94Å; K464-E492 WeakPolarHBondContact CE-OE1 3.47Å; K464-E492 VanDerWaalsContact CE-OE2 3.27Å; K464-E492 WeakPolarHBondContact CE-OE2 3.38Å; K464-E492 IonicContact NZ-OE1 3.4Å; K464-E492 IonicContact NZ-OE2 2.88Å; K464-E492 PolarHBondContact NZ-OE2 2.88Å; D488-E492 WeakPolarHBondContact O-CB 3.48Å; D488-E492 PolarHBondContact O-N 3.33Å; V489-E492 PolarHBondContact O-N 3.41Å; E492-T494 VanDerWaalsContact C-N 3.33Å; E492-T494 PolarHBondContact O-N 2.96Å; E492-K495 WeakPolarHBondContact O-CB 3.44Å; E492-K495 PolarHBondContact O-N 3.33Å; E492-K495 VanDerWaalsContact O-N 3.1Å; E492-V496 HydrophobicContact CG-CG2 4.49Å; E492-V496 WeakPolarHBondContact O-CG2 3.36Å; E492-V496 PolarHBondContact O-N 2.83Å
493	A	98.7	Very high	98.6	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-39.2	178.6	0	0	0	0	0	112.1	L467 V482 V489 K495 V496 L497	L467-A493 HydrophobicContact CD1-CB 3.98Å; L467-A493 HydrophobicContact CD2-CB 3.83Å; V482-A493 HydrophobicContact CG1-CB 4.21Å; V482-A493 HydrophobicContact CG2-CB 3.89Å; V489-A493 VanDerWaalsContact O-CB 3.24Å; V489-A493 WeakPolarHBondContact O-CB 3.47Å; V489-A493 PolarHBondContact O-N 3.47Å; A493-K495 VanDerWaalsContact C-N 3.27Å; A493-K495 PolarHBondContact O-N 3.49Å; A493-V496 PolarHBondContact O-N 3.37Å; A493-L497 VanDerWaalsContact O-CB 3.24Å; A493-L497 WeakPolarHBondContact O-CB 3.22Å; A493-L497 WeakPolarHBondContact O-CG 3.46Å; A493-L497 PolarHBondContact O-N 3.01Å
494	T	98.7	Very high	98.5	Very high	55 Å²	55	63.7 Å²	63.7	34%	0.337	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-36.3	175.2	-59.1	0	0	0	0	111.9	V490 E492 R498 F504	V490-T494 VanDerWaalsContact O-CB 3.25Å; V490-T494 WeakPolarHBondContact O-CB 3.37Å; V490-T494 PolarHBondContact O-N 3.21Å; V490-T494 PolarHBondContact O-OG1 3.44Å; E492-T494 VanDerWaalsContact C-N 3.33Å; E492-T494 PolarHBondContact O-N 2.96Å; T494-R498 PolarHBondContact O-N 3.36Å; T494-F504 HydrophobicContact CG2-CE1 4.38Å
495	K	98.6	Very high	98.6	Very high	155 Å²	155	64.8 Å²	64.8	67%	0.674	32%	0.317	S	S	*	.	H	α-helix	trans	-72.9	-47.9	176.4	-71.1	171.6	-173.5	173.5	0	111.7	Q491 E492 A493 R498	Q491-K495 WeakPolarHBondContact O-CG 3.07Å; Q491-K495 PolarHBondContact O-N 3.35Å; Q491-K495 VanDerWaalsContact O-N 3.14Å; E492-K495 WeakPolarHBondContact O-CB 3.44Å; E492-K495 PolarHBondContact O-N 3.33Å; E492-K495 VanDerWaalsContact O-N 3.1Å; A493-K495 VanDerWaalsContact C-N 3.27Å; A493-K495 PolarHBondContact O-N 3.49Å; K495-R498 WeakPolarHBondContact O-CB 3.3Å
496	V	98.6	Very high	98.6	Very high	41 Å²	41	62.7 Å²	62.7	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-42.4	-178	174.3	0	0	0	0	111.2	L467 E492 A493 R498	L467-V496 HydrophobicContact CB-CB 4.47Å; L467-V496 HydrophobicContact CB-CG1 3.86Å; E492-V496 HydrophobicContact CG-CG2 4.49Å; E492-V496 WeakPolarHBondContact O-CG2 3.36Å; E492-V496 PolarHBondContact O-N 2.83Å; A493-V496 PolarHBondContact O-N 3.37Å; V496-R498 VanDerWaalsContact C-N 3.32Å; V496-R498 PolarHBondContact O-N 3.29Å
497	L	98.8	Very high	98.6	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	12.7	-174.7	-58.8	176.8	0	0	0	113.8	F320 L467 V470 D471 V482 A493 N499 A500 F504	F320-L497 HydrophobicContact CE2-CD1 3.72Å; F320-L497 HydrophobicContact CZ-CB 4.48Å; F320-L497 HydrophobicContact CZ-CD1 3.87Å; F320-L497 HydrophobicContact CZ-CD2 4.49Å; L467-L497 HydrophobicContact CD2-CD1 3.71Å; L467-L497 HydrophobicContact CD2-CD2 4.46Å; L467-L497 HydrophobicContact CD2-CG 4.12Å; L467-L497 WeakPolarHBondContact O-CD2 3.32Å; V470-L497 HydrophobicContact CB-CD2 3.97Å; V470-L497 HydrophobicContact CG1-CD1 4.45Å; V470-L497 HydrophobicContact CG1-CD2 3.72Å; D471-L497 HydrophobicContact CB-CD2 4.19Å; V482-L497 HydrophobicContact CG2-CD1 3.9Å; A493-L497 VanDerWaalsContact O-CB 3.24Å; A493-L497 WeakPolarHBondContact O-CB 3.22Å; A493-L497 WeakPolarHBondContact O-CG 3.46Å; A493-L497 PolarHBondContact O-N 3.01Å; L497-N499 PolarHBondContact O-N 3.33Å; L497-A500 HydrophobicContact CB-CB 4.1Å; L497-A500 HydrophobicContact CD2-CB 4.07Å; L497-A500 WeakPolarHBondContact O-CB 3.33Å; L497-A500 PolarHBondContact O-N 2.71Å; L497-F504 HydrophobicContact CB-CE2 3.97Å; L497-F504 HydrophobicContact CD1-CE2 3.88Å; L497-F504 HydrophobicContact CD1-CZ 4.4Å
498	R	98.7	Very high	98.6	Very high	195 Å²	195	58.9 Å²	58.9	74%	0.736	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-36.1	-173.5	-178.4	178.8	-179.6	78.4	0.5	113.8	T494 K495 V496	T494-R498 PolarHBondContact O-N 3.36Å; K495-R498 WeakPolarHBondContact O-CB 3.3Å; V496-R498 VanDerWaalsContact C-N 3.32Å; V496-R498 PolarHBondContact O-N 3.29Å
499	N	98.5	Very high	98.6	Very high	113 Å²	113	54.7 Å²	54.7	60%	0.604	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-1.8	-178.8	-72.6	49.9	0	0	0	113	L497 A501 R524	L497-N499 PolarHBondContact O-N 3.33Å; N499-A501 VanDerWaalsContact C-N 3.35Å; N499-R524 PolarHBondContact O-NE 3.41Å; N499-R524 PolarHBondContact O-NH2 3.4Å
500	A	98.6	Very high	98.7	Very high	6 Å²	6	54.4 Å²	54.4	5%	0.05	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-21.8	178.8	0	0	0	0	0	112.9	F320 D471 G477 L497	F320-A500 HydrophobicContact CE1-CB 3.96Å; F320-A500 HydrophobicContact CZ-CB 4.28Å; D471-A500 WeakPolarHBondContact OD1-CB 3.41Å; G477-A500 WeakPolarHBondContact CA-O 3.23Å; L497-A500 HydrophobicContact CB-CB 4.1Å; L497-A500 HydrophobicContact CD2-CB 4.07Å; L497-A500 WeakPolarHBondContact O-CB 3.33Å; L497-A500 PolarHBondContact O-N 2.71Å
501	A	98.7	Very high	98.7	Very high	8 Å²	8	53.4 Å²	53.4	7%	0.066	26%	0.264	C	S	.	.			trans	-147.6	125.6	179.1	0	0	0	0	0	110.8	F320 L478 N499 N503 F504	F320-A501 HydrophobicContact CE1-CB 4.26Å; F320-A501 HydrophobicContact CZ-CB 4.39Å; L478-A501 CarbonylContact O-C 3.51Å; N499-A501 VanDerWaalsContact C-N 3.35Å; A501-N503 VanDerWaalsContact C-N 3.31Å; A501-F504 HydrophobicContact CB-CB 4.4Å; A501-F504 HydrophobicContact CB-CD2 4.31Å
502	G	98.2	Very high	98.5	Very high	31 Å²	31	49.9 Å²	49.9	32%	0.32	26%	0.258	S	S	.	.	S	Bend	trans	-75	-21.3	169.4	0	0	0	0	0	113.5	G477 L478 G521 K531	G477-G502 PolarHBondContact O-N 3.48Å; L478-G502 PolarHBondContact O-N 2.63Å; G502-G521 CarbonylContact C-O 3.55Å; G502-G521 VanDerWaalsContact CA-O 3.29Å; G502-G521 WeakPolarHBondContact CA-O 3.15Å; G502-K531 PolarHBondContact O-NZ 3.35Å
503	N	98.7	Very high	98.5	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	105.4	166.8	-75.5	75.6	0	0	0	108.9	L478 T479 G480 A501 Y505 Q518 P519 F520 G521 K531	L478-N503 PolarHBondContact O-N 3.2Å; T479-N503 VanDerWaalsContact CA-O 3.27Å; T479-N503 WeakPolarHBondContact CA-O 3.3Å; T479-N503 HydrophobicContact CG2-CB 3.99Å; G480-N503 PolarHBondContact N-O 3.26Å; G480-N503 VanDerWaalsContact N-O 3.15Å; A501-N503 VanDerWaalsContact C-N 3.31Å; N503-Y505 HydrophobicContact CB-CE2 3.85Å; N503-Y505 WeakPolarHBondContact O-CD2 3.24Å; N503-Y505 WeakPolarHBondContact O-CE2 3.25Å; N503-Q518 PolarHBondContact ND2-O 2.97Å; N503-P519 PolarHBondContact ND2-O 3.02Å; N503-P519 VanDerWaalsContact ND2-O 3.1Å; N503-P519 PolarHBondContact OD1-O 3.4Å; N503-F520 WeakPolarHBondContact OD1-CA 3.3Å; N503-G521 PolarHBondContact OD1-N 2.98Å; N503-G521 PolarHBondContact OD1-O 3.13Å; N503-G521 VanDerWaalsContact OD1-O 3.09Å; N503-K531 PolarHBondContact OD1-NZ 3Å
504	F	98.8	Very high	98.5	Very high	58 Å²	58	51.7 Å²	51.7	25%	0.254	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.2	-174.8	-174.5	-103.2	0	0	0	110.9	F320 G480 V482 T494 L497 A501 I506	F320-F504 HydrophobicContact CE2-CE2 4.5Å; F320-F504 HydrophobicContact CZ-CE2 4.38Å; G480-F504 CarbonylContact O-C 3.57Å; G480-F504 WeakPolarHBondContact O-CA 3.26Å; V482-F504 HydrophobicContact CB-CZ 4.07Å; V482-F504 HydrophobicContact CG2-CE2 3.84Å; V482-F504 HydrophobicContact CG2-CZ 3.49Å; V482-F504 VanDerWaalsContact CG2-CZ 3.49Å; T494-F504 HydrophobicContact CG2-CE1 4.38Å; L497-F504 HydrophobicContact CB-CE2 3.97Å; L497-F504 HydrophobicContact CD1-CE2 3.88Å; L497-F504 HydrophobicContact CD1-CZ 4.4Å; A501-F504 HydrophobicContact CB-CB 4.4Å; A501-F504 HydrophobicContact CB-CD2 4.31Å; F504-I506 HydrophobicContact CD1-CG1 4.35Å; F504-I506 HydrophobicContact CE1-CD1 4.33Å; F504-I506 HydrophobicContact CE1-CG1 3.89Å
505	Y	98.9	Very high	98.5	Very high	24 Å²	24	49.4 Å²	49.4	9%	0.094	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.1	-172.2	-60.2	-97.8	0	0	0	110.4	T479 G480 A481 V482 N503 K509 S510	T479-Y505 HydrophobicContact CG2-CE2 4.45Å; G480-Y505 PolarHBondContact O-N 3.46Å; A481-Y505 CarbonylContact C-O 3.55Å; A481-Y505 VanDerWaalsContact CA-O 3.26Å; A481-Y505 WeakPolarHBondContact CA-O 3.36Å; V482-Y505 PolarHBondContact N-O 2.85Å; N503-Y505 HydrophobicContact CB-CE2 3.85Å; N503-Y505 WeakPolarHBondContact O-CD2 3.24Å; N503-Y505 WeakPolarHBondContact O-CE2 3.25Å; Y505-K509 WeakPolarHBondContact CD1-O 3.4Å; Y505-S510 WeakPolarHBondContact CE2-O 3.4Å
506	I	98.8	Very high	98.4	Very high	79 Å²	79	43.6 Å²	43.6	41%	0.405	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.6	174.4	-63.9	162.1	0	0	0	107.2	V482 V490 F504 D508	V482-I506 WeakPolarHBondContact O-CA 3.32Å; V490-I506 HydrophobicContact CG1-CD1 3.53Å; V490-I506 HydrophobicContact CG1-CG1 4.08Å; V490-I506 HydrophobicContact CG1-CG2 4.03Å; V490-I506 HydrophobicContact CG2-CG2 4.08Å; F504-I506 HydrophobicContact CD1-CG1 4.35Å; F504-I506 HydrophobicContact CE1-CD1 4.33Å; F504-I506 HydrophobicContact CE1-CG1 3.89Å; I506-D508 PolarHBondContact O-N 2.99Å
507	N	98.7	Very high	98.4	Very high	53 Å²	53	46.5 Å²	46.5	28%	0.283	25%	0.251	S	S	.	.	S	Bend	trans	56.6	32.2	-179.1	-59.3	-42	0	0	0	114.6	V482 F483 S484	V482-N507 PolarHBondContact O-N 3.22Å; F483-N507 VanDerWaalsContact CA-OD1 3.29Å; F483-N507 WeakPolarHBondContact CA-OD1 3.19Å; S484-N507 PolarHBondContact N-OD1 3.05Å; S484-N507 PolarHBondContact O-ND2 3.32Å; S484-N507 PolarHBondContact O-OD1 2.84Å
508	D	98.8	Very high	98.4	Very high	93 Å²	93	49.6 Å²	49.6	50%	0.497	27%	0.266	S	S	.	.	S	Bend	trans	-144.1	163.6	172.7	-157.5	-11.3	0	0	0	109.9	A481 F483 I506	A481-D508 VanDerWaalsContact CB-O 3.25Å; A481-D508 WeakPolarHBondContact CB-O 3.14Å; F483-D508 VanDerWaalsContact CZ-O 3.23Å; F483-D508 WeakPolarHBondContact CZ-O 3.27Å; I506-D508 PolarHBondContact O-N 2.99Å
509	K	98.8	Very high	98.4	Very high	31 Å²	31	42.3 Å²	42.3	14%	0.135	24%	0.243	C	C	.	.			trans	-67.4	152.2	176.4	65.6	-179	178.6	61.1	0	111.8	G335 R338 Y505 T511	G335-K509 WeakPolarHBondContact O-CB 3.42Å; R338-K509 HydrophobicContact CB-CD 3.89Å; Y505-K509 WeakPolarHBondContact CD1-O 3.4Å; K509-T511 VanDerWaalsContact NZ-C 3.34Å; K509-T511 PolarHBondContact NZ-O 2.64Å; K509-T511 PolarHBondContact NZ-OG1 2.78Å; K509-T511 PolarHBondContact O-N 3.02Å; K509-T511 VanDerWaalsContact O-N 3.16Å
510	S	98.7	Very high	98.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-76.7	4.9	-177.2	66.4	0	0	0	0	116	H321 S339 S349 T479 Y505	H321-S510 WeakPolarHBondContact NE2-CB 3.5Å; H321-S510 PolarHBondContact NE2-N 3.19Å; H321-S510 PolarHBondContact NE2-OG 3.4Å; S339-S510 PolarHBondContact OG-OG 2.86Å; S349-S510 WeakPolarHBondContact CB-O 3.46Å; S349-S510 PolarHBondContact O-OG 3.14Å; T479-S510 VanDerWaalsContact CB-O 3.3Å; T479-S510 WeakPolarHBondContact CB-O 3.49Å; T479-S510 WeakPolarHBondContact CG2-O 3.26Å; T479-S510 WeakPolarHBondContact OG1-CB 3.23Å; T479-S510 PolarHBondContact OG1-O 3.35Å; T479-S510 VanDerWaalsContact OG1-O 3.12Å; Y505-S510 WeakPolarHBondContact CE2-O 3.4Å
511	T	98.3	Very high	98.3	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.025	22%	0.22	C	C	.	.			trans	-116.3	166.6	-177.2	61.8	0	0	0	0	112.2	S339 K347 S349 K509	S339-T511 WeakPolarHBondContact OG-CG2 3.46Å; K347-T511 HydrophobicContact CD-CG2 4.17Å; S349-T511 WeakPolarHBondContact O-CG2 3.27Å; K509-T511 VanDerWaalsContact NZ-C 3.34Å; K509-T511 PolarHBondContact NZ-O 2.64Å; K509-T511 PolarHBondContact NZ-OG1 2.78Å; K509-T511 PolarHBondContact O-N 3.02Å; K509-T511 VanDerWaalsContact O-N 3.16Å
512	G	95.7	Very high	98.3	Very high	37 Å²	37	37.9 Å²	37.9	38%	0.381	22%	0.218	S	C	.	.			trans	79.8	44.2	170.1	0	0	0	0	0	113.5
513	S	98	Very high	98.3	Very high	21 Å²	21	38.7 Å²	38.7	15%	0.147	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-57	134.4	166.5	47.3	0	0	0	0	110.7	Q518 F520	S513-Q518 WeakPolarHBondContact CB-O 3.39Å; S513-F520 VanDerWaalsContact OG-CD2 3.26Å; S513-F520 WeakPolarHBondContact OG-CD2 3.25Å
514	I	98.7	Very high	98.3	Very high	71 Å²	71	42.7 Å²	42.7	36%	0.364	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-102.8	132.1	177.6	-59.5	166.7	0	0	0	108.6	N34 G516 Q517 Q518	N34-I514 WeakPolarHBondContact ND2-CG2 3.48Å; I514-G516 PolarHBondContact O-N 2.8Å; I514-Q517 HydrophobicContact CB-CB 4.17Å; I514-Q517 HydrophobicContact CB-CG 4.23Å; I514-Q517 HydrophobicContact CG2-CB 4.45Å; I514-Q517 HydrophobicContact CG2-CG 3.99Å; I514-Q517 PolarHBondContact O-N 2.82Å; I514-Q518 PolarHBondContact O-N 3.04Å
515	V	98.5	Very high	98.3	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.036	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	136	177.8	170.5	0	0	0	0	110	N34 E165 D168 F169 F172 Q517	N34-V515 PolarHBondContact ND2-O 2.93Å; E165-V515 HydrophobicContact CG-CG2 4.21Å; D168-V515 HydrophobicContact CB-CB 3.67Å; D168-V515 HydrophobicContact CB-CG1 3.91Å; D168-V515 HydrophobicContact CB-CG2 4.13Å; F169-V515 HydrophobicContact CD1-CG1 4.41Å; F169-V515 HydrophobicContact CD1-CG2 3.76Å; F169-V515 HydrophobicContact CD2-CG2 4.37Å; F169-V515 HydrophobicContact CE1-CG2 3.63Å; F169-V515 HydrophobicContact CE2-CG2 4.29Å; F169-V515 HydrophobicContact CG-CG2 4.12Å; F169-V515 HydrophobicContact CZ-CG2 3.91Å; F172-V515 HydrophobicContact CB-CG1 3.78Å; F172-V515 HydrophobicContact CD2-CG1 3.95Å; F172-V515 HydrophobicContact CG-CG1 3.91Å; V515-Q517 PolarHBondContact O-N 3.08Å; V515-Q517 VanDerWaalsContact O-N 3.16Å
516	G	97.9	Very high	98.3	Very high	33 Å²	33	40 Å²	40	34%	0.34	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-10.8	-175.6	0	0	0	0	0	115.6	Y176 I514 G533	Y176-G516 WeakPolarHBondContact OH-CA 3.48Å; I514-G516 PolarHBondContact O-N 2.8Å; G516-G533 PolarHBondContact N-O 3.4Å
517	Q	98.6	Very high	98.2	Very high	103 Å²	103	37.1 Å²	37.1	48%	0.481	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-47.4	177.4	-52.8	-172.8	17.6	0	0	112.4	N34 I514 V515	N34-Q517 PolarHBondContact OD1-NE2 2.84Å; I514-Q517 HydrophobicContact CB-CB 4.17Å; I514-Q517 HydrophobicContact CB-CG 4.23Å; I514-Q517 HydrophobicContact CG2-CB 4.45Å; I514-Q517 HydrophobicContact CG2-CG 3.99Å; I514-Q517 PolarHBondContact O-N 2.82Å; V515-Q517 PolarHBondContact O-N 3.08Å; V515-Q517 VanDerWaalsContact O-N 3.16Å
518	Q	98.6	Very high	98.2	Very high	66 Å²	66	36.7 Å²	36.7	31%	0.308	22%	0.219	S	C	.	.	S	Bend	trans	-130	76.7	175.4	-54.6	81.3	32.2	0	0	110.7	N503 S513 I514 F520	N503-Q518 PolarHBondContact ND2-O 2.97Å; S513-Q518 WeakPolarHBondContact CB-O 3.39Å; I514-Q518 PolarHBondContact O-N 3.04Å; Q518-F520 PolarHBondContact O-N 3.44Å; Q518-F520 VanDerWaalsContact O-N 3.16Å
519	P	98.3	Very high	98.2	Very high	41 Å²	41	35.1 Å²	35.1	27%	0.266	21%	0.21	S	C	.	.			trans	-44.2	125.7	175.1	-30.1	36.6	0	0	0	111.9	N503 K531	N503-P519 PolarHBondContact ND2-O 3.02Å; N503-P519 VanDerWaalsContact ND2-O 3.1Å; N503-P519 PolarHBondContact OD1-O 3.4Å; P519-K531 HydrophobicContact CB-CB 4.03Å; P519-K531 HydrophobicContact CB-CD 4.23Å; P519-K531 WeakPolarHBondContact O-CD 3.41Å; P519-K531 PolarHBondContact O-NZ 3.48Å
520	F	98.5	Very high	98.2	Very high	29 Å²	29	35.1 Å²	35.1	13%	0.127	21%	0.212	C	C	.	.			trans	-94.6	134.8	-164	-173.1	-101.7	0	0	0	111.7	E314 L478 T479 N503 S513 Q518 K531 P532	E314-F520 HydrophobicContact CG-CE1 4.26Å; L478-F520 HydrophobicContact CD1-CE1 3.91Å; L478-F520 HydrophobicContact CD1-CE2 4.39Å; L478-F520 HydrophobicContact CD1-CZ 3.75Å; L478-F520 HydrophobicContact CD2-CE1 4.35Å; L478-F520 HydrophobicContact CD2-CZ 3.93Å; L478-F520 HydrophobicContact CG-CE1 4.49Å; L478-F520 HydrophobicContact CG-CZ 3.93Å; T479-F520 HydrophobicContact CG2-CE2 3.67Å; T479-F520 HydrophobicContact CG2-CZ 4.22Å; N503-F520 WeakPolarHBondContact OD1-CA 3.3Å; S513-F520 VanDerWaalsContact OG-CD2 3.26Å; S513-F520 WeakPolarHBondContact OG-CD2 3.25Å; Q518-F520 PolarHBondContact O-N 3.44Å; Q518-F520 VanDerWaalsContact O-N 3.16Å; F520-K531 WeakPolarHBondContact O-CA 3.37Å; F520-P532 PolarHBondContact N-O 3.07Å; F520-P532 WeakPolarHBondContact O-CD 3.35Å
521	G	97.1	Very high	98.2	Very high	4 Å²	4	37.2 Å²	37.2	4%	0.041	22%	0.221	C	C	.	.			trans	152.9	160.7	173.5	0	0	0	0	0	112.8	G502 N503 N529 K531	G502-G521 CarbonylContact C-O 3.55Å; G502-G521 VanDerWaalsContact CA-O 3.29Å; G502-G521 WeakPolarHBondContact CA-O 3.15Å; N503-G521 PolarHBondContact OD1-N 2.98Å; N503-G521 PolarHBondContact OD1-O 3.13Å; N503-G521 VanDerWaalsContact OD1-O 3.09Å; G521-N529 PolarHBondContact O-OD1 3.24Å; G521-K531 PolarHBondContact O-NZ 3.21Å
522	G	98.1	Very high	98.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	23%	0.228	C	C	.	.			trans	-145.9	163.8	179.7	0	0	0	0	0	112.2	G477 N529	G477-G522 WeakPolarHBondContact O-CA 3.24Å; G522-N529 PolarHBondContact N-OD1 3.23Å; G522-N529 WeakPolarHBondContact O-CB 3.26Å
523	A	98.1	Very high	98.2	Very high	49 Å²	49	36.6 Å²	36.6	41%	0.405	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-151.5	177.7	0	0	0	0	0	110.6	G477 S526	G477-A523 PolarHBondContact O-N 3Å; A523-S526 VanDerWaalsContact O-CB 3.27Å; A523-S526 WeakPolarHBondContact O-CB 3.31Å; A523-S526 PolarHBondContact O-N 3.32Å
524	R	98.5	Very high	98.2	Very high	93 Å²	93	35.7 Å²	35.7	35%	0.351	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.7	-137.6	-172.3	-52.9	176.7	171.8	-174.7	-3.5	110	D471 S475 Y476 N499 S526	D471-R524 PolarHBondContact O-NH1 2.84Å; D471-R524 IonicContact OD1-CZ 3.33Å; D471-R524 IonicContact OD1-NH1 3.81Å; D471-R524 IonicContact OD1-NH2 3.34Å; D471-R524 PolarHBondContact OD1-NH2 2.95Å; D471-R524 IonicContact OD2-NH2 2.69Å; S475-R524 WeakPolarHBondContact O-CB 3.3Å; Y476-R524 WeakPolarHBondContact O-CD 3.45Å; Y476-R524 PolarHBondContact O-NH1 3.49Å; N499-R524 PolarHBondContact O-NE 3.41Å; N499-R524 PolarHBondContact O-NH2 3.4Å; R524-S526 PolarHBondContact O-N 3.4Å
525	A	98.3	Very high	98.2	Very high	26 Å²	26	35.3 Å²	35.3	22%	0.215	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8	175.9	0	0	0	0	0	114	V288 C315 S475 Y476 G527	V288-A525 HydrophobicContact CG2-CB 4.46Å; V288-A525 WeakPolarHBondContact CG2-O 3.46Å; C315-A525 WeakPolarHBondContact CB-O 3.37Å; S475-A525 WeakPolarHBondContact O-CB 3.47Å; S475-A525 PolarHBondContact O-N 3.39Å; Y476-A525 HydrophobicContact CD1-CB 4.14Å; Y476-A525 HydrophobicContact CE1-CB 4.38Å; A525-G527 VanDerWaalsContact C-N 3.3Å; A525-G527 PolarHBondContact O-N 2.81Å
526	S	98.6	Very high	98.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.4	-176.3	-62	0	0	0	0	114.5	C315 G316 G477 L478 A523 R524	C315-S526 PolarHBondContact N-O 2.64Å; G316-S526 WeakPolarHBondContact O-CA 3.48Å; G316-S526 VanDerWaalsContact O-CB 3.22Å; G316-S526 WeakPolarHBondContact O-CB 3.4Å; G316-S526 PolarHBondContact O-OG 3.37Å; G477-S526 PolarHBondContact N-OG 3.49Å; L478-S526 WeakPolarHBondContact CB-OG 3.38Å; L478-S526 PolarHBondContact N-OG 2.97Å; A523-S526 VanDerWaalsContact O-CB 3.27Å; A523-S526 WeakPolarHBondContact O-CB 3.31Å; A523-S526 PolarHBondContact O-N 3.32Å; R524-S526 PolarHBondContact O-N 3.4Å
527	G	98.5	Very high	98.2	Very high	18 Å²	18	40 Å²	40	19%	0.186	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	134.1	-159.7	169.8	0	0	0	0	0	115.4	G313 A525	G313-G527 CarbonylContact O-C 3.45Å; G313-G527 WeakPolarHBondContact O-CA 3.37Å; A525-G527 VanDerWaalsContact C-N 3.3Å; A525-G527 PolarHBondContact O-N 2.81Å
528	T	98.5	Very high	98.2	Very high	44 Å²	44	35.1 Å²	35.1	27%	0.27	20%	0.196	S	C	.	.			trans	-87.5	-7.4	-175.2	47.9	0	0	0	0	113.7	F291 W295 G313 D530	F291-T528 HydrophobicContact CE1-CG2 4.06Å; F291-T528 HydrophobicContact CZ-CG2 3.97Å; W295-T528 HydrophobicContact CH2-CG2 4.4Å; W295-T528 HydrophobicContact CZ3-CG2 3.92Å; G313-T528 PolarHBondContact N-OG1 3.01Å; G313-T528 PolarHBondContact O-N 2.95Å; G313-T528 PolarHBondContact O-OG1 3.07Å; T528-D530 VanDerWaalsContact CB-OD2 3.27Å; T528-D530 WeakPolarHBondContact CB-OD2 3.45Å; T528-D530 PolarHBondContact O-N 3.23Å; T528-D530 PolarHBondContact OG1-OD2 3.39Å
529	N	98.4	Very high	98.3	Very high	60 Å²	60	35.3 Å²	35.3	32%	0.321	20%	0.199	S	C	.	.			trans	54.7	42	176.1	-163.8	27.7	0	0	0	114.7	G521 G522 K531	G521-N529 PolarHBondContact O-OD1 3.24Å; G522-N529 PolarHBondContact N-OD1 3.23Å; G522-N529 WeakPolarHBondContact O-CB 3.26Å; N529-K531 PolarHBondContact O-N 3.44Å; N529-K531 VanDerWaalsContact O-N 3.17Å; N529-K531 VanDerWaalsContact OD1-CD 3.29Å; N529-K531 WeakPolarHBondContact OD1-CD 3.41Å; N529-K531 WeakPolarHBondContact OD1-CE 3.31Å
530	D	98.4	Very high	98.3	Very high	31 Å²	31	36.9 Å²	36.9	17%	0.166	20%	0.199	C	C	.	.			trans	-73.3	-1.3	178.4	-56.7	-79.9	0	0	0	113.7	A312 T528 Y537 R540	A312-D530 WeakPolarHBondContact CB-OD2 3.39Å; T528-D530 VanDerWaalsContact CB-OD2 3.27Å; T528-D530 WeakPolarHBondContact CB-OD2 3.45Å; T528-D530 PolarHBondContact O-N 3.23Å; T528-D530 PolarHBondContact OG1-OD2 3.39Å; D530-Y537 HydrophobicContact CB-CD2 3.83Å; D530-Y537 HydrophobicContact CB-CE2 4.15Å; D530-Y537 WeakPolarHBondContact O-CA 3.47Å; D530-R540 HydrophobicContact CB-CG 4Å; D530-R540 WeakPolarHBondContact OD1-CD 3.41Å; D530-R540 VanDerWaalsContact OD1-CG 3.25Å; D530-R540 WeakPolarHBondContact OD1-CG 3.08Å; D530-R540 IonicContact OD1-NE 3.61Å; D530-R540 PolarHBondContact OD1-NE 3.13Å
531	K	98.1	Very high	98.3	Very high	44 Å²	44	35.5 Å²	35.5	19%	0.191	19%	0.193	C	C	.	.			trans	55.3	57.5	174.2	-68.6	-60.8	-160.6	175.1	0	115.3	G502 N503 P519 F520 G521 N529 G533 G534	G502-K531 PolarHBondContact O-NZ 3.35Å; N503-K531 PolarHBondContact OD1-NZ 3Å; P519-K531 HydrophobicContact CB-CB 4.03Å; P519-K531 HydrophobicContact CB-CD 4.23Å; P519-K531 WeakPolarHBondContact O-CD 3.41Å; P519-K531 PolarHBondContact O-NZ 3.48Å; F520-K531 WeakPolarHBondContact O-CA 3.37Å; G521-K531 PolarHBondContact O-NZ 3.21Å; N529-K531 PolarHBondContact O-N 3.44Å; N529-K531 VanDerWaalsContact O-N 3.17Å; N529-K531 VanDerWaalsContact OD1-CD 3.29Å; N529-K531 WeakPolarHBondContact OD1-CD 3.41Å; N529-K531 WeakPolarHBondContact OD1-CE 3.31Å; K531-G533 PolarHBondContact O-N 3.01Å; K531-G534 PolarHBondContact O-N 2.81Å
532	P	97.9	Very high	98.4	Very high	27 Å²	27	35.4 Å²	35.4	18%	0.175	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	137.4	166.4	23.3	-35.3	0	0	0	111.4	F169 F520 G534 Y537	F169-P532 HydrophobicContact CE1-CB 4.22Å; F520-P532 PolarHBondContact N-O 3.07Å; F520-P532 WeakPolarHBondContact O-CD 3.35Å; P532-G534 VanDerWaalsContact C-N 3.34Å; P532-Y537 HydrophobicContact CB-CD1 4.16Å; P532-Y537 HydrophobicContact CB-CD2 4.08Å; P532-Y537 HydrophobicContact CB-CE1 4.15Å; P532-Y537 HydrophobicContact CB-CE2 4.1Å; P532-Y537 HydrophobicContact CB-CG 4.12Å
533	G	97.3	Very high	98.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-9	-174.5	0	0	0	0	0	114.4	Y176 G516 K531	Y176-G533 PolarHBondContact OH-O 2.93Å; G516-G533 PolarHBondContact N-O 3.4Å; K531-G533 PolarHBondContact O-N 3.01Å
534	G	97.7	Very high	98.4	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	-100.5	168.1	169.7	0	0	0	0	0	113.6	K531 P532 H536	K531-G534 PolarHBondContact O-N 2.81Å; P532-G534 VanDerWaalsContact C-N 3.34Å; G534-H536 PolarHBondContact O-N 3.25Å
535	P	98.2	Very high	98.5	Very high	63 Å²	63	37.3 Å²	37.3	41%	0.409	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.7	-174.7	27.4	-36	0	0	0	114.4	Y176	Y176-P535 HydrophobicContact CD1-CB 3.86Å; Y176-P535 HydrophobicContact CE1-CB 3.94Å; Y176-P535 HydrophobicContact CG-CB 4.2Å
536	H	98.6	Very high	98.5	Very high	131 Å²	131	40.6 Å²	40.6	61%	0.606	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-15.2	-173.1	-53.7	125.3	0	0	0	114.2	G534 I538 L539	G534-H536 PolarHBondContact O-N 3.25Å; H536-I538 VanDerWaalsContact C-N 3.3Å; H536-I538 PolarHBondContact O-N 2.99Å; H536-L539 HydrophobicContact CB-CD1 4.24Å; H536-L539 VanDerWaalsContact O-CB 3.26Å; H536-L539 WeakPolarHBondContact O-CB 3.4Å; H536-L539 PolarHBondContact O-N 3.27Å
537	Y	98.9	Very high	98.4	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.02	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.3	-42.1	-174.2	177.7	-118.6	0	0	0	112.6	A222 N283 D530 P532 L539 R540 W541	A222-Y537 HydrophobicContact CB-CD1 4.19Å; A222-Y537 HydrophobicContact CB-CE1 3.7Å; N283-Y537 VanDerWaalsContact CG-OH 3.26Å; N283-Y537 PolarHBondContact ND2-OH 2.93Å; N283-Y537 PolarHBondContact OD1-OH 3.27Å; D530-Y537 HydrophobicContact CB-CD2 3.83Å; D530-Y537 HydrophobicContact CB-CE2 4.15Å; D530-Y537 WeakPolarHBondContact O-CA 3.47Å; P532-Y537 HydrophobicContact CB-CD1 4.16Å; P532-Y537 HydrophobicContact CB-CD2 4.08Å; P532-Y537 HydrophobicContact CB-CE1 4.15Å; P532-Y537 HydrophobicContact CB-CE2 4.1Å; P532-Y537 HydrophobicContact CB-CG 4.12Å; Y537-L539 PolarHBondContact O-N 3.2Å; Y537-L539 VanDerWaalsContact O-N 3.12Å; Y537-R540 WeakPolarHBondContact O-CB 3.49Å; Y537-R540 PolarHBondContact O-N 3.25Å; Y537-W541 AromaticContact CE1-NE1 3.83Å; Y537-W541 AromaticContact CZ-NE1 3.65Å
538	I	98.8	Very high	98.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.4	-22.3	179	57.8	165.7	0	0	0	113.8	N173 Y176 A177 L180 M226 H536 R540 W541	N173-I538 HydrophobicContact CB-CG2 4.31Å; Y176-I538 WeakPolarHBondContact O-CD1 3.31Å; A177-I538 HydrophobicContact CB-CD1 4.13Å; L180-I538 HydrophobicContact CB-CD1 4.34Å; L180-I538 HydrophobicContact CD2-CD1 3.98Å; M226-I538 HydrophobicContact CG-CB 4Å; M226-I538 HydrophobicContact CG-CG2 4.39Å; M226-I538 HydrophobicContact SD-CB 3.85Å; M226-I538 HydrophobicContact SD-CD1 4.17Å; M226-I538 HydrophobicContact SD-CG2 4.29Å; H536-I538 VanDerWaalsContact C-N 3.3Å; H536-I538 PolarHBondContact O-N 2.99Å; I538-R540 PolarHBondContact O-N 2.99Å; I538-W541 PolarHBondContact O-N 3.04Å
539	L	98.8	Very high	98.3	Very high	70 Å²	70	48.5 Å²	48.5	37%	0.366	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-64.9	-25.3	179.3	-64.5	173.6	0	0	0	112.3	L180 R310 H536 Y537 W541 T542	L180-L539 HydrophobicContact CD1-CD2 3.73Å; L180-L539 HydrophobicContact CD2-CD2 3.76Å; L180-L539 HydrophobicContact CG-CD2 4.42Å; R310-L539 PolarHBondContact NH1-O 3.31Å; H536-L539 HydrophobicContact CB-CD1 4.24Å; H536-L539 VanDerWaalsContact O-CB 3.26Å; H536-L539 WeakPolarHBondContact O-CB 3.4Å; H536-L539 PolarHBondContact O-N 3.27Å; Y537-L539 PolarHBondContact O-N 3.2Å; Y537-L539 VanDerWaalsContact O-N 3.12Å; L539-W541 PolarHBondContact O-N 2.6Å; L539-T542 HydrophobicContact CD2-CG2 4.35Å; L539-T542 PolarHBondContact O-N 3.4Å
540	R	98.8	Very high	98.2	Very high	74 Å²	74	48.1 Å²	48.1	28%	0.279	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-63.6	-24	173.4	-63.6	-56.2	-62.8	126.7	0.3	112.6	R310 D530 Y537 I538	R310-R540 WeakPolarHBondContact CD-O 3.41Å; R310-R540 PolarHBondContact NH1-O 3.41Å; D530-R540 HydrophobicContact CB-CG 4Å; D530-R540 WeakPolarHBondContact OD1-CD 3.41Å; D530-R540 VanDerWaalsContact OD1-CG 3.25Å; D530-R540 WeakPolarHBondContact OD1-CG 3.08Å; D530-R540 IonicContact OD1-NE 3.61Å; D530-R540 PolarHBondContact OD1-NE 3.13Å; Y537-R540 WeakPolarHBondContact O-CB 3.49Å; Y537-R540 PolarHBondContact O-N 3.25Å; I538-R540 PolarHBondContact O-N 2.99Å
541	W	98.9	Very high	98	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-107.6	12.6	-173.2	-46.1	120.6	0	0	0	113.7	L200 V204 P223 M226 N228 N283 A312 Y537 I538 L539	L200-W541 HydrophobicContact CD1-CE3 4.13Å; V204-W541 HydrophobicContact CG1-CZ3 4.25Å; V204-W541 HydrophobicContact CG2-CE3 4.39Å; P223-W541 HydrophobicContact CB-CB 4.34Å; P223-W541 HydrophobicContact CB-CD2 4.19Å; P223-W541 HydrophobicContact CB-CE3 4.48Å; P223-W541 HydrophobicContact CB-CG 4.09Å; P223-W541 HydrophobicContact CG-CD2 3.84Å; P223-W541 HydrophobicContact CG-CE3 4.31Å; P223-W541 HydrophobicContact CG-CG 3.99Å; M226-W541 HydrophobicContact CB-CB 3.93Å; M226-W541 WeakPolarHBondContact CB-O 3.35Å; M226-W541 HydrophobicContact CG-CB 4.08Å; N228-W541 PolarHBondContact ND2-O 2.98Å; N283-W541 HydrophobicContact CB-CH2 3.63Å; N283-W541 HydrophobicContact CB-CZ2 3.72Å; N283-W541 HydrophobicContact CB-CZ3 4.47Å; N283-W541 WeakPolarHBondContact ND2-CZ2 3.32Å; N283-W541 VanDerWaalsContact OD1-CZ2 3.27Å; N283-W541 WeakPolarHBondContact OD1-CZ2 3.49Å; A312-W541 HydrophobicContact CB-CH2 3.67Å; A312-W541 HydrophobicContact CB-CZ2 3.68Å; Y537-W541 AromaticContact CE1-NE1 3.83Å; Y537-W541 AromaticContact CZ-NE1 3.65Å; I538-W541 PolarHBondContact O-N 3.04Å; L539-W541 PolarHBondContact O-N 2.6Å
542	T	98.9	Very high	97.9	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.4	171.5	-179.5	0	0	0	0	112.6	L180 Y197 R198 M226 R310 L539	L180-T542 HydrophobicContact CD2-CG2 4.42Å; Y197-T542 WeakPolarHBondContact CA-OG1 3.09Å; Y197-T542 HydrophobicContact CD1-CG2 4.1Å; R198-T542 CarbonylContact O-C 3.57Å; R198-T542 WeakPolarHBondContact O-CA 3.48Å; R198-T542 WeakPolarHBondContact O-CB 3.46Å; R198-T542 PolarHBondContact O-OG1 2.8Å; M226-T542 HydrophobicContact CE-CG2 4.09Å; R310-T542 VanDerWaalsContact CZ-O 3.32Å; R310-T542 PolarHBondContact NH1-O 3Å; R310-T542 PolarHBondContact NH2-O 3.28Å; L539-T542 HydrophobicContact CD2-CG2 4.35Å; L539-T542 PolarHBondContact O-N 3.4Å
543	S	98.8	Very high	97.8	Very high	38 Å²	38	61.1 Å²	61.1	27%	0.266	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	89.4	171.8	-175.4	0	0	0	0	109.5	R198	R198-S543 WeakPolarHBondContact CB-O 3.19Å; R198-S543 PolarHBondContact NE-O 3.46Å; R198-S543 PolarHBondContact NH2-O 2.78Å; R198-S543 PolarHBondContact NH2-OG 2.9Å; R198-S543 PolarHBondContact O-N 2.86Å
544	P	98.6	Very high	97.7	Very high	64 Å²	64	68.9 Å²	68.9	42%	0.416	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	141.4	-174.7	-26.7	35	0	0	0	113.2	T195 V196 Y197 R198	T195-P544 HydrophobicContact CG2-CB 3.83Å; V196-P544 CarbonylContact O-C 3.51Å; V196-P544 WeakPolarHBondContact O-CA 3.34Å; Y197-P544 HydrophobicContact CD1-CB 4.47Å; Y197-P544 HydrophobicContact CD1-CG 4.03Å; Y197-P544 HydrophobicContact CE1-CG 4.13Å; R198-P544 PolarHBondContact NH2-O 2.89Å
545	Q	98.6	Very high	97.5	Very high	82 Å²	82	72 Å²	72	38%	0.383	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124	167.7	178.7	-176.4	31.7	0	0	108.6	T195 V196 R198 I547	T195-Q545 CarbonylContact C-O 3.56Å; T195-Q545 WeakPolarHBondContact CA-O 3.44Å; V196-Q545 HydrophobicContact CB-CB 4.42Å; V196-Q545 PolarHBondContact N-O 2.93Å; V196-Q545 PolarHBondContact O-N 2.93Å; R198-Q545 HydrophobicContact CG-CB 4.37Å; Q545-I547 HydrophobicContact CG-CG1 4.13Å
546	V	98.3	Very high	97.3	Very high	95 Å²	95	74 Å²	74	58%	0.576	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	124.6	172.4	-176.8	0	0	0	0	109	S194	S194-V546 CarbonylContact O-C 3.57Å; S194-V546 WeakPolarHBondContact O-CA 3.34Å
547	I	98	Very high	97.2	Very high	43 Å²	43	77.5 Å²	77.5	22%	0.221	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.7	177.5	-61.3	170.2	0	0	0	107.9	L22 W24 N193 S194 V196 Q545	L22-I547 HydrophobicContact CD1-CD1 4.49Å; L22-I547 HydrophobicContact CD1-CG2 3.79Å; W24-I547 HydrophobicContact CH2-CD1 3.83Å; W24-I547 HydrophobicContact CZ2-CB 4.49Å; W24-I547 HydrophobicContact CZ2-CD1 4.12Å; N193-I547 CarbonylContact C-O 3.53Å; N193-I547 WeakPolarHBondContact CA-O 3.18Å; S194-I547 PolarHBondContact N-O 2.86Å; S194-I547 PolarHBondContact O-N 3.22Å; V196-I547 HydrophobicContact CG2-CD1 3.79Å; Q545-I547 HydrophobicContact CG-CG1 4.13Å
548	K	97.6	Very high	97	Very high	139 Å²	139	78.6 Å²	78.6	60%	0.604	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	114	172.6	176.7	-178.7	177.6	-175.1	0	109.1	S191 T192 N193	S191-K548 WeakPolarHBondContact OG-CE 3.39Å; T192-K548 WeakPolarHBondContact O-CA 3.47Å; N193-K548 WeakPolarHBondContact OD1-CB 3.42Å; N193-K548 WeakPolarHBondContact OD1-CG 3.37Å
549	E	97.3	Very high	96.9	Very high	46 Å²	46	86.2 Å²	86.2	22%	0.215	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.3	170.9	-170.5	174.9	179	0	0	109.2	G21 L22 S191 T192 H551	G21-E549 WeakPolarHBondContact CA-OE1 3.02Å; L22-E549 PolarHBondContact N-OE2 2.87Å; S191-E549 CarbonylContact C-O 3.59Å; S191-E549 WeakPolarHBondContact CA-O 3.46Å; T192-E549 PolarHBondContact N-O 3.4Å; T192-E549 PolarHBondContact O-N 2.88Å; E549-H551 IonicContact OE2-CE1 3.69Å
550	T	95.7	Very high	96.7	Very high	53 Å²	53	87 Å²	87	33%	0.325	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119	179.2	-58.8	0	0	0	0	109.8	P190 S191 K552 L554	P190-T550 HydrophobicContact CG-CG2 4.05Å; S191-T550 PolarHBondContact OG-OG1 3.28Å; T550-K552 VanDerWaalsContact C-N 3.32Å; T550-K552 PolarHBondContact O-N 3.47Å; T550-L554 HydrophobicContact CG2-CD2 4.4Å
551	H	95.1	Very high	96.6	Very high	102 Å²	102	92.4 Å²	92.4	47%	0.472	48%	0.482	S	S	.	.			trans	-89.6	6.6	-167.3	-54.3	-62.2	0	0	0	114.2	P190 T192 E549	P190-H551 PolarHBondContact O-CD2 2.85Å; P190-H551 VanDerWaalsContact O-CD2 3.24Å; P190-H551 PolarHBondContact O-N 3.24Å; T192-H551 PolarHBondContact OG1-NE2 2.97Å; E549-H551 IonicContact OE2-CE1 3.69Å
552	K	94.7	Very high	96.5	Very high	141 Å²	141	97.1 Å²	97.1	61%	0.613	51%	0.505	S	S	*	.	S	Bend	trans	-133.3	145.6	176.7	-64.8	-173.1	-175.2	179.5	0	109.9	P190 T550	P190-K552 HydrophobicContact CB-CB 4Å; P190-K552 HydrophobicContact CB-CD 3.82Å; P190-K552 HydrophobicContact CB-CG 3.77Å; P190-K552 HydrophobicContact CG-CB 4.41Å; T550-K552 VanDerWaalsContact C-N 3.32Å; T550-K552 PolarHBondContact O-N 3.47Å
553	P	95.1	Very high	96	Very high	131 Å²	131	107.1 Å²	107.1	85%	0.851	55%	0.552	S	S	*	*			trans	-53.4	144.4	168.9	-24.3	34.2	0	0	0	111.3	G555	P553-G555 PolarHBondContact O-N 3.25Å
554	L	95.9	Very high	95.8	Very high	164 Å²	164	110.6 Å²	110.6	86%	0.859	57%	0.566	S	S	*	*			trans	-66.7	-20.9	-172	-64.5	179	0	0	0	114.5	T550	T550-L554 HydrophobicContact CG2-CD2 4.4Å
555	G	93.3	Very high	95.7	Very high	68 Å²	68	113 Å²	113	70%	0.701	57%	0.574	S	S	*	*			trans	88.4	-153.8	-175.9	0	0	0	0	0	112.8	P553	P553-G555 PolarHBondContact O-N 3.25Å
556	D	94.7	Very high	95.5	Very high	104 Å²	104	114.7 Å²	114.7	56%	0.556	59%	0.585	S	S	*	*			trans	-75.1	154.1	177.4	-166.9	28.5	0	0	0	111.4	S558	D556-S558 VanDerWaalsContact C-N 3.34Å; D556-S558 WeakPolarHBondContact OD2-CB 3Å; D556-S558 PolarHBondContact OD2-OG 3.18Å
557	W	96.4	Very high	95.3	Very high	205 Å²	205	115.9 Å²	115.9	78%	0.777	59%	0.585	S	S	*	*	S	Bend	trans	-78	-24.1	177.7	67.6	-88.3	0	0	0	112	M562	W557-M562 HydrophobicContact CH2-CE 4.25Å; W557-M562 HydrophobicContact CZ3-CE 4.02Å
558	S	95.2	Very high	95.2	Very high	29 Å²	29	120.4 Å²	120.4	20%	0.203	61%	0.608	C	S	.	*	S	Bend	trans	-74.9	157.1	176.7	79.2	0	0	0	0	111.5	D556	D556-S558 VanDerWaalsContact C-N 3.34Å; D556-S558 WeakPolarHBondContact OD2-CB 3Å; D556-S558 PolarHBondContact OD2-OG 3.18Å
559	Y	96	Very high	95	Very high	161 Å²	161	119.2 Å²	119.2	63%	0.631	61%	0.609	S	S	*	*			trans	-103	152	171.2	-66.7	-90	0	0	0	110.2	Y561 M562	Y559-Y561 VanDerWaalsContact CB-CD1 3.41Å; Y559-Y561 VanDerWaalsContact CB-CE1 3.47Å; Y559-Y561 HydrophobicContact CD2-CE1 4.15Å; Y559-Y561 HydrophobicContact CG-CD1 4.26Å; Y559-Y561 AromaticContact CG-CE1 3.94Å; Y559-Y561 HydrophobicContact CG-CE1 3.94Å; Y559-Y561 PolarHBondContact O-N 3.48Å; Y559-M562 HydrophobicContact CD2-SD 4.34Å; Y559-M562 WeakPolarHBondContact O-CB 3.39Å; Y559-M562 PolarHBondContact O-N 2.98Å
560	A	95.6	Very high	94.8	Very high	87 Å²	87	124.4 Å²	124.4	72%	0.719	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-56.1	-26.8	-179.2	0	0	0	0	0	114.1	M562	A560-M562 VanDerWaalsContact C-N 3.27Å; A560-M562 PolarHBondContact O-N 2.74Å
561	Y	96.7	Very high	94.8	Very high	187 Å²	187	129.9 Å²	129.9	73%	0.733	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-75.2	-12	179.4	84.5	-88.3	0	0	0	114.3	Y559 Q563	Y559-Y561 VanDerWaalsContact CB-CD1 3.41Å; Y559-Y561 VanDerWaalsContact CB-CE1 3.47Å; Y559-Y561 HydrophobicContact CD2-CE1 4.15Å; Y559-Y561 HydrophobicContact CG-CD1 4.26Å; Y559-Y561 AromaticContact CG-CE1 3.94Å; Y559-Y561 HydrophobicContact CG-CE1 3.94Å; Y559-Y561 PolarHBondContact O-N 3.48Å; Y561-Q563 VanDerWaalsContact C-N 3.33Å
562	M	95.8	Very high	94.7	Very high	98 Å²	98	132.3 Å²	132.3	48%	0.483	68%	0.676	S	S	.	*	G	3₁₀ helix	trans	-87.4	-5.1	-179.1	-62.9	173.3	61.4	0	0	113.1	W557 Y559 A560	W557-M562 HydrophobicContact CH2-CE 4.25Å; W557-M562 HydrophobicContact CZ3-CE 4.02Å; Y559-M562 HydrophobicContact CD2-SD 4.34Å; Y559-M562 WeakPolarHBondContact O-CB 3.39Å; Y559-M562 PolarHBondContact O-N 2.98Å; A560-M562 VanDerWaalsContact C-N 3.27Å; A560-M562 PolarHBondContact O-N 2.74Å
563	Q	87.6	Confident	94.7	Very high	212 Å²	212	131.5 Å²	131.5	99%	0.991	68%	0.682	S	S	*	*			trans	-90.3	0	173	-59.7	179	7.2	0	0	109.1	Y561	Y561-Q563 VanDerWaalsContact C-N 3.33Å

Retrieved 563 of 563 residues in 1771.4 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).