A0A024RAC7_HUMAN Loading...

Multifunctional fusion protein

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 (P30038), UniProt , Accession A0A024RAC7, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 563 aa.

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(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 1184.2 ms (Link to these results)

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