A0A087XLQ9_POEFO Loading...

Arylsulfatase K

Catalyzes the hydrolysis of pseudosubstrates such as p-nitrocatechol sulfate and p-nitrophenyl sulfate. Catalyzes the hydrolysis of the 2-sulfate groups of the 2-O-sulfo-D-glucuronate residues of chondroitin sulfate, heparin and heparitin sulfate. Acts selectively on 2-sulfoglucuronate and lacks activity against 2-sulfoiduronate.

AlphaFold DB , UniProt , Accession A0A087XLQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 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	L	40.1	Very low	33.7	Very low	195 Å²	195	143.3 Å²	143.3	100%	1.021	71%	0.71	S	S	*	*				0	-20.7	0	-79.2	163.7	0	0	0	114
2	F	31.1	Very low	33.7	Very low	188 Å²	188	141.6 Å²	141.6	83%	0.825	71%	0.706	S	S	*	*			trans	-91	-22.8	173.6	-141.1	-101.1	0	0	0	113.7
3	E	31.4	Very low	34.5	Very low	171 Å²	171	136.8 Å²	136.8	80%	0.799	69%	0.689	S	S	*	*	S	Bend	trans	-84.5	-24.7	179	-69.1	-170.1	159.7	0	0	114.3	F5	E3-F5 VanDerWaalsContact C-N 3.3Å; E3-F5 PolarHBondContact O-N 3.18Å
4	Q	29.9	Very low	34.9	Very low	141 Å²	141	135 Å²	135	66%	0.659	68%	0.682	S	S	*	*	H	α-helix	trans	-79.7	-6.9	176.8	-87.3	176.2	-22.2	0	0	114.2
5	F	31.5	Very low	34.9	Very low	160 Å²	160	130.3 Å²	130.3	70%	0.702	67%	0.673	S	S	*	*	H	α-helix	trans	-87.3	-17.7	176.4	-125.4	-91.4	0	0	0	112.8	E3	E3-F5 VanDerWaalsContact C-N 3.3Å; E3-F5 PolarHBondContact O-N 3.18Å
6	I	38.2	Very low	34.9	Very low	111 Å²	111	134.8 Å²	134.8	57%	0.569	68%	0.678	S	S	*	*	H	α-helix	trans	-80.8	-32.8	-178.9	-65.2	179.9	0	0	0	111.3
7	E	32.4	Very low	35.1	Very low	138 Å²	138	130.6 Å²	130.6	65%	0.645	66%	0.664	S	S	*	*	H	α-helix	trans	-74.2	-32.4	179.4	-80	-172.8	145.2	0	0	113.9	C9 L10	E7-C9 VanDerWaalsContact C-N 3.31Å; E7-C9 PolarHBondContact O-N 2.93Å; E7-L10 PolarHBondContact O-N 3.18Å
8	L	29.8	Very low	35	Very low	134 Å²	134	130.3 Å²	130.3	70%	0.702	66%	0.663	S	S	*	*	H	α-helix	trans	-73.8	-20.4	177.4	-102.7	107.5	0	0	0	113.7
9	C	36.1	Very low	34.8	Very low	82 Å²	82	133.8 Å²	133.8	55%	0.554	67%	0.669	S	S	*	*	H	α-helix	trans	-78.3	-21	173.1	-74.6	0	0	0	0	113	E7 V13	E7-C9 VanDerWaalsContact C-N 3.31Å; E7-C9 PolarHBondContact O-N 2.93Å; C9-V13 WeakPolarHBondContact O-CG2 3.45Å
10	L	36.9	Very low	34.8	Very low	115 Å²	115	130 Å²	130	60%	0.602	66%	0.656	S	S	*	*	H	α-helix	trans	-82.9	-24.5	-176.8	-73.4	165.6	0	0	0	113.5	E7	E7-L10 PolarHBondContact O-N 3.18Å
11	L	33.8	Very low	34.8	Very low	141 Å²	141	133.2 Å²	133.2	74%	0.738	66%	0.66	S	S	*	*	S	Bend	trans	-85	-18.9	-176.3	-76.5	160.4	0	0	0	114.3
12	N	33	Very low	34.4	Very low	123 Å²	123	128 Å²	128	66%	0.658	65%	0.645	S	S	*	*	S	Bend	trans	-96.4	-7	177.8	-93.2	-47.6	0	0	0	114.9
13	V	43.7	Very low	34.5	Very low	80 Å²	80	126.5 Å²	126.5	49%	0.485	65%	0.645	S	S	.	*	H	α-helix	trans	-75.3	-28.5	179.2	174.7	0	0	0	0	111.7	C9 C17	C9-V13 WeakPolarHBondContact O-CG2 3.45Å; V13-C17 VanDerWaalsContact O-CB 3.27Å; V13-C17 WeakPolarHBondContact O-CB 3.27Å; V13-C17 PolarHBondContact O-N 3.44Å; V13-C17 PolarHBondContact O-SG 3.12Å
14	N	40	Very low	34.9	Very low	111 Å²	111	124.8 Å²	124.8	59%	0.594	64%	0.641	S	S	*	*	H	α-helix	trans	-73.7	-31.2	-173.4	-74.1	-30.3	0	0	0	114.3
15	A	35.7	Very low	35.5	Very low	65 Å²	65	126.3 Å²	126.3	54%	0.537	65%	0.647	S	S	.	*	H	α-helix	trans	-81.1	-33.7	-179.7	0	0	0	0	0	112.8
16	W	34.8	Very low	36.3	Very low	202 Å²	202	127.4 Å²	127.4	77%	0.765	65%	0.654	S	S	*	*	H	α-helix	trans	-76.6	-33.3	173.9	-92	65.6	0	0	0	112.6	L18 Y19 S20	W16-L18 PolarHBondContact O-N 2.74Å; W16-Y19 PolarHBondContact O-N 2.98Å; W16-S20 PolarHBondContact O-N 3.24Å; W16-S20 VanDerWaalsContact O-N 3.08Å; W16-S20 PolarHBondContact O-OG 3.06Å
17	C	38.5	Very low	37.7	Very low	64 Å²	64	128.2 Å²	128.2	43%	0.432	66%	0.656	S	S	.	*	H	α-helix	trans	-61.6	-25.9	175.2	-91.4	0	0	0	0	114.2	V13 R21	V13-C17 VanDerWaalsContact O-CB 3.27Å; V13-C17 WeakPolarHBondContact O-CB 3.27Å; V13-C17 PolarHBondContact O-N 3.44Å; V13-C17 PolarHBondContact O-SG 3.12Å; C17-R21 WeakPolarHBondContact O-CD 3.2Å; C17-R21 VanDerWaalsContact O-CG 3.29Å; C17-R21 WeakPolarHBondContact O-CG 3.17Å
18	L	34	Very low	40.3	Very low	124 Å²	124	123.8 Å²	123.8	65%	0.649	64%	0.64	S	S	*	*	H	α-helix	trans	-84.9	-33.7	-179.7	-72.5	167	0	0	0	112.6	W16	W16-L18 PolarHBondContact O-N 2.74Å
19	Y	30	Very low	43.4	Very low	198 Å²	198	118.7 Å²	118.7	78%	0.776	62%	0.615	S	S	*	*	H	α-helix	trans	-79.1	-31	175.8	-102.7	-90.3	0	0	0	113.2	W16 R21	W16-Y19 PolarHBondContact O-N 2.98Å; Y19-R21 VanDerWaalsContact C-N 3.34Å
20	S	35.3	Very low	46.4	Very low	57 Å²	57	115.1 Å²	115.1	40%	0.399	59%	0.591	S	S	.	*	H	α-helix	trans	-73	-24	175.2	-53.3	0	0	0	0	113.6	W16 A22 L24	W16-S20 PolarHBondContact O-N 3.24Å; W16-S20 VanDerWaalsContact O-N 3.08Å; W16-S20 PolarHBondContact O-OG 3.06Å; S20-A22 VanDerWaalsContact C-N 3.31Å; S20-A22 PolarHBondContact O-N 3.36Å; S20-L24 WeakPolarHBondContact O-CD1 3.48Å; S20-L24 WeakPolarHBondContact O-CG 3.39Å
21	R	35.7	Very low	49.3	Very low	197 Å²	197	110 Å²	110	74%	0.743	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-23.8	178.6	-86.4	177.5	177.5	-159.7	0.7	113.8	C17 Y19	C17-R21 WeakPolarHBondContact O-CD 3.2Å; C17-R21 VanDerWaalsContact O-CG 3.29Å; C17-R21 WeakPolarHBondContact O-CG 3.17Å; Y19-R21 VanDerWaalsContact C-N 3.34Å
22	A	31.6	Very low	52.4	Low	87 Å²	87	103.2 Å²	103.2	72%	0.719	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.1	-177.6	0	0	0	0	0	114.2	S20	S20-A22 VanDerWaalsContact C-N 3.31Å; S20-A22 PolarHBondContact O-N 3.36Å
23	L	33.1	Very low	55.6	Low	155 Å²	155	97.6 Å²	97.6	81%	0.812	50%	0.498	S	S	*	.	S	Bend	trans	-102.1	-2.9	176.6	-82.2	159.1	0	0	0	113.8	H25	L23-H25 VanDerWaalsContact C-N 3.26Å; L23-H25 PolarHBondContact O-N 3.22Å
24	L	39.9	Very low	58.2	Low	136 Å²	136	93.8 Å²	93.8	71%	0.712	48%	0.475	S	S	*	.			trans	-89.6	40.4	179.3	-77	165.2	0	0	0	113.1	S20	S20-L24 WeakPolarHBondContact O-CD1 3.48Å; S20-L24 WeakPolarHBondContact O-CG 3.39Å
25	H	40.9	Very low	61	Low	172 Å²	172	88.5 Å²	88.5	80%	0.796	45%	0.447	S	S	*	.	S	Bend	trans	-101	124.7	162.4	-122.8	74.3	0	0	0	108.7	L23	L23-H25 VanDerWaalsContact C-N 3.26Å; L23-H25 PolarHBondContact O-N 3.22Å
26	Q	48.6	Very low	63.9	Low	183 Å²	183	85.4 Å²	85.4	86%	0.855	42%	0.421	S	S	*	.	S	Bend	trans	86.6	47.6	163.9	-55.1	-177.7	-28	0	0	120.5
27	Q	68.4	Low	66.9	Low	129 Å²	129	75.8 Å²	75.8	60%	0.603	39%	0.385	S	S	*	.			trans	-135.3	126.2	153.7	-131.9	171.7	3.5	0	0	110.6	K192	Q27-K192 PolarHBondContact NE2-O 3.03Å
28	S	86.9	Confident	69.7	Low	45 Å²	45	72.8 Å²	72.8	32%	0.315	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-60.2	136.6	176.4	-48	0	0	0	0	109.3	Y118 P194	S28-Y118 WeakPolarHBondContact CB-OH 3.43Å; S28-P194 WeakPolarHBondContact O-CB 3.29Å
29	P	95.3	Very high	72.7	Confident	26 Å²	26	66.9 Å²	66.9	17%	0.169	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-68.2	155.9	-178.7	30	-36.1	0	0	0	110.7	Y118 V304 P340 I364	P29-Y118 VanDerWaalsContact O-CE1 3.32Å; P29-Y118 WeakPolarHBondContact O-CE1 2.96Å; P29-Y118 PolarHBondContact O-OH 3.37Å; P29-V304 HydrophobicContact CB-CG2 4.19Å; P29-V304 HydrophobicContact CG-CG2 4.19Å; P29-P340 HydrophobicContact CB-CG 4.06Å; P29-I364 HydrophobicContact CG-CG2 3.59Å
30	N	98.1	Very high	75.7	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	153.4	167.2	-55.3	-52.4	0	0	0	109.8	P194 F195 N302 T303 V304	N30-P194 WeakPolarHBondContact OD1-CA 3.39Å; N30-F195 CarbonylContact C-O 3.52Å; N30-F195 WeakPolarHBondContact CA-O 3.41Å; N30-F195 HydrophobicContact CB-CD1 3.86Å; N30-F195 HydrophobicContact CB-CD2 4.29Å; N30-F195 HydrophobicContact CB-CE1 3.58Å; N30-F195 HydrophobicContact CB-CE2 4.02Å; N30-F195 HydrophobicContact CB-CG 4.21Å; N30-F195 HydrophobicContact CB-CZ 3.65Å; N30-F195 VanDerWaalsContact ND2-CE1 3.3Å; N30-F195 WeakPolarHBondContact ND2-CE1 3.47Å; N30-F195 WeakPolarHBondContact OD1-CD1 3.19Å; N30-F195 WeakPolarHBondContact OD1-CE1 3.45Å; N30-F195 PolarHBondContact OD1-N 3.31Å; N30-N302 PolarHBondContact N-O 3.08Å; N30-N302 PolarHBondContact ND2-O 3.36Å; N30-T303 HydrophobicContact CB-CG2 4.15Å; N30-T303 CarbonylContact O-C 3.51Å; N30-T303 WeakPolarHBondContact O-CA 3.11Å; N30-V304 PolarHBondContact O-N 2.76Å
31	I	98.7	Very high	78.4	Confident	6 Å²	6	55 Å²	55	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.5	179.5	-58.7	169.9	0	0	0	107.7	L113 Y118 F195 A196 L197 V304 V361 I364 A365	I31-L113 HydrophobicContact CD1-CD1 4.44Å; I31-L113 HydrophobicContact CD1-CD2 4.01Å; I31-Y118 HydrophobicContact CD1-CE1 3.95Å; I31-Y118 HydrophobicContact CG1-CE1 4.15Å; I31-F195 PolarHBondContact N-O 2.5Å; I31-A196 HydrophobicContact CB-CB 4.42Å; I31-A196 CarbonylContact O-C 3.35Å; I31-A196 VanDerWaalsContact O-CA 3.23Å; I31-A196 WeakPolarHBondContact O-CA 3.34Å; I31-L197 PolarHBondContact O-N 3.06Å; I31-V304 WeakPolarHBondContact CA-O 3.3Å; I31-V361 HydrophobicContact CD1-CG1 4.17Å; I31-I364 HydrophobicContact CD1-CB 4.2Å; I31-I364 HydrophobicContact CD1-CG2 3.8Å; I31-I364 HydrophobicContact CG1-CG2 3.76Å; I31-A365 HydrophobicContact CD1-CB 4.29Å
32	V	98.8	Very high	81	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.3	173.6	178.7	0	0	0	0	108.2	V34 F195 L197 V290 L294 T303 V304 L305 I306	V32-V34 HydrophobicContact CG1-CG2 4.39Å; V32-F195 HydrophobicContact CG2-CE2 3.7Å; V32-F195 HydrophobicContact CG2-CZ 4.3Å; V32-L197 CarbonylContact C-O 3.59Å; V32-L197 WeakPolarHBondContact CA-O 3.25Å; V32-L197 HydrophobicContact CG1-CD2 4.27Å; V32-L197 HydrophobicContact CG2-CB 4.23Å; V32-V290 HydrophobicContact CG1-CG1 3.79Å; V32-L294 HydrophobicContact CG2-CD1 4.18Å; V32-L294 HydrophobicContact CG2-CD2 4.27Å; V32-T303 HydrophobicContact CB-CG2 4.02Å; V32-T303 HydrophobicContact CG2-CG2 3.52Å; V32-V304 PolarHBondContact N-O 2.8Å; V32-L305 HydrophobicContact CB-CD1 3.79Å; V32-L305 HydrophobicContact CG1-CD1 3.56Å; V32-L305 CarbonylContact O-C 3.57Å; V32-L305 WeakPolarHBondContact O-CA 3.31Å; V32-I306 PolarHBondContact O-N 3.2Å
33	M	98.9	Very high	83.6	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.9	173.4	-174.9	178.3	-71.2	0	0	109	M84 W109 L197 Y198 L199 I306 L357 V361	M33-M84 HydrophobicContact SD-CE 4.41Å; M33-W109 HydrophobicContact CE-CH2 3.88Å; M33-W109 HydrophobicContact CE-CZ2 3.85Å; M33-W109 HydrophobicContact SD-CH2 4.15Å; M33-W109 HydrophobicContact SD-CZ2 3.84Å; M33-L197 PolarHBondContact N-O 3.21Å; M33-Y198 HydrophobicContact CB-CD2 4.21Å; M33-Y198 HydrophobicContact CG-CD2 4.14Å; M33-Y198 HydrophobicContact CG-CE2 4.47Å; M33-Y198 WeakPolarHBondContact O-CA 3.41Å; M33-Y198 HydrophobicContact SD-CD2 3.87Å; M33-Y198 HydrophobicContact SD-CE2 4.03Å; M33-L199 PolarHBondContact O-N 3.44Å; M33-I306 WeakPolarHBondContact CA-O 3.29Å; M33-I306 HydrophobicContact CB-CB 4.48Å; M33-I306 HydrophobicContact CE-CD1 4.02Å; M33-I306 HydrophobicContact CE-CG2 4.22Å; M33-I306 HydrophobicContact CG-CB 4.36Å; M33-I306 HydrophobicContact CG-CG2 4.39Å; M33-L357 HydrophobicContact CE-CD1 4.23Å; M33-V361 HydrophobicContact CE-CG2 4.09Å
34	V	98.9	Very high	85.6	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.7	167.5	-179	0	0	0	0	107.1	V32 L199 L201 L287 V290 L305 I306 F307 T308	V32-V34 HydrophobicContact CG1-CG2 4.39Å; V34-L199 WeakPolarHBondContact CA-O 3.48Å; V34-L201 HydrophobicContact CG1-CD1 4.04Å; V34-L201 HydrophobicContact CG1-CG 4.38Å; V34-L287 HydrophobicContact CB-CD1 4.11Å; V34-L287 HydrophobicContact CG1-CD1 4.45Å; V34-L287 HydrophobicContact CG2-CD1 3.94Å; V34-V290 HydrophobicContact CG2-CB 4.36Å; V34-V290 HydrophobicContact CG2-CG1 4.22Å; V34-V290 HydrophobicContact CG2-CG2 4.22Å; V34-L305 HydrophobicContact CG2-CD1 4.4Å; V34-I306 PolarHBondContact N-O 2.79Å; V34-F307 HydrophobicContact CB-CD2 4.21Å; V34-F307 HydrophobicContact CG1-CD2 4.13Å; V34-F307 HydrophobicContact CG1-CE2 4.36Å; V34-F307 WeakPolarHBondContact O-CA 3.5Å; V34-T308 PolarHBondContact O-N 3.22Å
35	M	98.4	Very high	87.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	118	-175.5	-178.1	157.3	141.5	0	0	110.6	R81 M84 Y198 L199 G200 L201 T308 D310	M35-R81 HydrophobicContact CE-CG 3.41Å; M35-R81 VanDerWaalsContact CE-CG 3.41Å; M35-R81 VanDerWaalsContact CE-NH1 3.35Å; M35-M84 HydrophobicContact CE-CE 3.84Å; M35-M84 HydrophobicContact CE-SD 4.33Å; M35-M84 HydrophobicContact SD-CE 3.4Å; M35-M84 WeakPolarHBondContact SD-CE 3.32Å; M35-M84 HydrophobicContact SD-SD 3.72Å; M35-Y198 HydrophobicContact CB-CE2 3.87Å; M35-Y198 HydrophobicContact SD-CE2 4.1Å; M35-L199 PolarHBondContact N-O 3.31Å; M35-G200 CarbonylContact O-C 3.47Å; M35-G200 WeakPolarHBondContact O-CA 3.21Å; M35-L201 PolarHBondContact O-N 2.72Å; M35-T308 WeakPolarHBondContact CA-O 3.36Å; M35-T308 HydrophobicContact CB-CG2 4.34Å; M35-T308 HydrophobicContact CG-CG2 4.04Å; M35-T308 HydrophobicContact SD-CG2 3.94Å; M35-D310 HydrophobicContact CE-CB 3.57Å
36	S	97.9	Very high	88.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	162.5	175	-139.2	0	0	0	0	111.3	L203 P204 T308 A309 D310	S36-L203 PolarHBondContact OG-O 2.86Å; S36-P204 VanDerWaalsContact OG-CD 3.29Å; S36-P204 WeakPolarHBondContact OG-CD 3.47Å; S36-T308 PolarHBondContact N-O 2.78Å; S36-A309 VanDerWaalsContact O-CA 3.31Å; S36-A309 WeakPolarHBondContact O-CA 3.43Å; S36-D310 PolarHBondContact O-N 2.93Å
37	D	96.9	Very high	88.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125	167.1	-173.6	-36.8	0	0	0	110	C77 R81 K125 L201 L203 P204 H205 D310 H311 K323	D37-C77 PolarHBondContact OD2-SG 3.46Å; D37-R81 IonicContact OD2-NH2 3.64Å; D37-K125 WeakPolarHBondContact OD2-CD 3.49Å; D37-K125 VanDerWaalsContact OD2-CE 3.28Å; D37-K125 WeakPolarHBondContact OD2-CE 3.33Å; D37-K125 IonicContact OD2-NZ 3.18Å; D37-K125 PolarHBondContact OD2-NZ 2.89Å; D37-L201 WeakPolarHBondContact CB-O 3.37Å; D37-L201 PolarHBondContact N-O 2.96Å; D37-L203 PolarHBondContact N-O 3.49Å; D37-L203 CarbonylContact O-C 3.56Å; D37-L203 VanDerWaalsContact O-O 3.14Å; D37-P204 WeakPolarHBondContact O-CD 3.12Å; D37-H205 HydrophobicContact CB-CB 4.21Å; D37-H205 PolarHBondContact O-N 2.75Å; D37-H205 VanDerWaalsContact O-N 3.07Å; D37-H205 IonicContact OD1-CD2 2.99Å; D37-H205 PolarHBondContact OD1-CD2 3.17Å; D37-H205 VanDerWaalsContact OD1-CD2 3.23Å; D37-H205 IonicContact OD1-CG 3.4Å; D37-H205 IonicContact OD2-CD2 3.3Å; D37-D310 VanDerWaalsContact CA-OD1 3.3Å; D37-D310 WeakPolarHBondContact CA-OD1 3.4Å; D37-H311 IonicContact OD1-CE1 3.22Å; D37-H311 PolarHBondContact OD1-CE1 2.98Å; D37-H311 IonicContact OD1-NE2 3.75Å; D37-H311 PolarHBondContact OD1-NE2 3.42Å; D37-K323 IonicContact OD1-NZ 2.77Å
38	A	96.3	Very high	87.1	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	71.6	29.5	179.2	0	0	0	0	0	116.1	P204 H205 Y276 D310 H311 G312 E313	A38-P204 VanDerWaalsContact O-CG 3.25Å; A38-P204 WeakPolarHBondContact O-CG 3.27Å; A38-H205 HydrophobicContact CB-CB 4.4Å; A38-Y276 WeakPolarHBondContact O-CE2 3.38Å; A38-Y276 PolarHBondContact O-OH 2.69Å; A38-D310 PolarHBondContact N-OD1 2.93Å; A38-H311 CarbonylContact C-O 3.52Å; A38-H311 VanDerWaalsContact C-O 3.29Å; A38-H311 WeakPolarHBondContact CA-O 3.47Å; A38-H311 PolarHBondContact N-CE1 3.37Å; A38-H311 PolarHBondContact N-O 3.41Å; A38-G312 WeakPolarHBondContact CA-O 3.21Å; A38-E313 HydrophobicContact CB-CB 4.2Å; A38-E313 WeakPolarHBondContact O-CB 3.34Å
39	F	97.1	Very high	86.1	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.119	C	C	.	.			trans	-90.2	116.3	178.2	-152.6	-66.3	0	0	0	110.8	G41 L43 L54 P204 C280 A283 F307 A309 H311 P334	F39-G41 PolarHBondContact O-N 3.42Å; F39-L43 HydrophobicContact CE1-CB 3.98Å; F39-L43 HydrophobicContact CE1-CD1 4.16Å; F39-L54 HydrophobicContact CE1-CD1 4.39Å; F39-L54 HydrophobicContact CZ-CD1 4Å; F39-L54 HydrophobicContact CZ-CD2 4.25Å; F39-P204 HydrophobicContact CB-CG 4.34Å; F39-P204 HydrophobicContact CD2-CG 4.27Å; F39-C280 HydrophobicContact CD2-CB 4.28Å; F39-C280 HydrophobicContact CE1-CB 4.5Å; F39-C280 HydrophobicContact CE2-CB 3.6Å; F39-C280 HydrophobicContact CZ-CB 3.72Å; F39-A283 HydrophobicContact CE2-CB 4.38Å; F39-F307 HydrophobicContact CD2-CZ 4.08Å; F39-F307 HydrophobicContact CE2-CZ 4.17Å; F39-F307 HydrophobicContact CG-CZ 4.44Å; F39-A309 HydrophobicContact CB-CB 3.67Å; F39-H311 PolarHBondContact N-O 3.24Å; F39-H311 VanDerWaalsContact N-O 3.09Å; F39-P334 HydrophobicContact CB-CG 4.3Å; F39-P334 HydrophobicContact CD1-CG 4.05Å; F39-P334 HydrophobicContact CG-CG 4.42Å; F39-P334 WeakPolarHBondContact O-CD 3.11Å
40	D	94.5	Very high	85.3	Confident	5 Å²	5	26 Å²	26	3%	0.027	14%	0.144	C	C	.	.			trans	-67.3	121.3	178.7	178.6	-1	0	0	0	110.6	R42 L43 Y276	D40-R42 PolarHBondContact O-N 2.64Å; D40-R42 WeakPolarHBondContact OD1-CA 3.35Å; D40-R42 IonicContact OD1-CZ 2.7Å; D40-R42 PolarHBondContact OD1-N 3.12Å; D40-R42 IonicContact OD1-NE 2.69Å; D40-R42 PolarHBondContact OD1-NE 2.84Å; D40-R42 VanDerWaalsContact OD1-NE 3.08Å; D40-R42 IonicContact OD1-NH2 3.1Å; D40-R42 IonicContact OD2-CZ 3.25Å; D40-R42 VanDerWaalsContact OD2-CZ 3.22Å; D40-R42 IonicContact OD2-NE 3.78Å; D40-R42 PolarHBondContact OD2-NE 2.79Å; D40-R42 IonicContact OD2-NH2 3.99Å; D40-R42 PolarHBondContact OD2-NH2 3.1Å; D40-L43 PolarHBondContact O-N 2.87Å; D40-L43 VanDerWaalsContact O-N 3.15Å; D40-Y276 HydrophobicContact CB-CE1 4.45Å; D40-Y276 WeakPolarHBondContact CB-OH 3.27Å; D40-Y276 PolarHBondContact N-OH 3.45Å
41	G	91.5	Very high	85.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.6	177.3	0	0	0	0	0	112.3	F39 L43 S44 F45 R332 P334	F39-G41 PolarHBondContact O-N 3.42Å; G41-L43 PolarHBondContact O-N 3.47Å; G41-S44 WeakPolarHBondContact O-CB 3.36Å; G41-S44 PolarHBondContact O-N 3.04Å; G41-S44 PolarHBondContact O-OG 3.37Å; G41-F45 WeakPolarHBondContact O-CD1 3.27Å; G41-F45 WeakPolarHBondContact O-CE1 3.5Å; G41-R332 PolarHBondContact N-O 2.92Å; G41-P334 VanDerWaalsContact CA-N 3.29Å
42	R	90.7	Very high	84.9	Confident	48 Å²	48	26.4 Å²	26.4	18%	0.181	15%	0.147	C	C	.	.	H	α-helix	trans	-3.6	-64.9	153.3	19.9	124.4	-69.6	177	7.4	115.5	D40 S44 F45 E317 G329	D40-R42 PolarHBondContact O-N 2.64Å; D40-R42 WeakPolarHBondContact OD1-CA 3.35Å; D40-R42 IonicContact OD1-CZ 2.7Å; D40-R42 PolarHBondContact OD1-N 3.12Å; D40-R42 IonicContact OD1-NE 2.69Å; D40-R42 PolarHBondContact OD1-NE 2.84Å; D40-R42 VanDerWaalsContact OD1-NE 3.08Å; D40-R42 IonicContact OD1-NH2 3.1Å; D40-R42 IonicContact OD2-CZ 3.25Å; D40-R42 VanDerWaalsContact OD2-CZ 3.22Å; D40-R42 IonicContact OD2-NE 3.78Å; D40-R42 PolarHBondContact OD2-NE 2.79Å; D40-R42 IonicContact OD2-NH2 3.99Å; D40-R42 PolarHBondContact OD2-NH2 3.1Å; R42-S44 VanDerWaalsContact C-N 3.33Å; R42-S44 PolarHBondContact O-N 3.04Å; R42-F45 VanDerWaalsContact CA-CZ 3.43Å; R42-F45 HydrophobicContact CB-CD2 4.42Å; R42-F45 HydrophobicContact CB-CE1 4.08Å; R42-F45 HydrophobicContact CB-CE2 3.37Å; R42-F45 HydrophobicContact CB-CZ 3.17Å; R42-F45 HydrophobicContact CG-CE1 4.21Å; R42-F45 HydrophobicContact CG-CE2 3.74Å; R42-F45 HydrophobicContact CG-CZ 3.22Å; R42-F45 VanDerWaalsContact N-CZ 3.28Å; R42-F45 WeakPolarHBondContact O-CE2 3.4Å; R42-E317 IonicContact CZ-OE1 3.46Å; R42-E317 IonicContact CZ-OE2 2.73Å; R42-E317 VanDerWaalsContact CZ-OE2 3.25Å; R42-E317 IonicContact NH1-OE1 3.65Å; R42-E317 IonicContact NH1-OE2 3.57Å; R42-E317 PolarHBondContact NH1-OE2 3.49Å; R42-E317 VanDerWaalsContact NH2-CD 3.27Å; R42-E317 IonicContact NH2-OE1 3.8Å; R42-E317 PolarHBondContact NH2-OE1 3.35Å; R42-E317 IonicContact NH2-OE2 3.56Å; R42-E317 PolarHBondContact NH2-OE2 2.87Å; R42-G329 VanDerWaalsContact NH2-CA 3.31Å
43	L	85.8	Confident	84.6	Confident	15 Å²	15	32.8 Å²	32.8	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-81.5	-12.3	-165.4	-59.2	174.8	0	0	0	113.3	F39 D40 G41 V51 V52 L54 Y276 Y277 C280	F39-L43 HydrophobicContact CE1-CB 3.98Å; F39-L43 HydrophobicContact CE1-CD1 4.16Å; D40-L43 PolarHBondContact O-N 2.87Å; D40-L43 VanDerWaalsContact O-N 3.15Å; G41-L43 PolarHBondContact O-N 3.47Å; L43-V51 HydrophobicContact CD2-CG1 4.29Å; L43-V52 HydrophobicContact CD2-CG1 4.14Å; L43-L54 HydrophobicContact CB-CD1 4.05Å; L43-Y276 HydrophobicContact CD1-CE1 4.24Å; L43-Y277 HydrophobicContact CD1-CD1 3.91Å; L43-Y277 HydrophobicContact CD1-CE1 4.1Å; L43-Y277 HydrophobicContact CD2-CD1 4.16Å; L43-Y277 HydrophobicContact CD2-CE1 3.86Å; L43-C280 HydrophobicContact CD1-CB 4.33Å
44	S	74.3	Confident	84.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-95.3	-17.9	-175.3	68.6	0	0	0	0	114.8	G41 R42 R61	G41-S44 WeakPolarHBondContact O-CB 3.36Å; G41-S44 PolarHBondContact O-N 3.04Å; G41-S44 PolarHBondContact O-OG 3.37Å; R42-S44 VanDerWaalsContact C-N 3.33Å; R42-S44 PolarHBondContact O-N 3.04Å; S44-R61 VanDerWaalsContact O-CD 3.23Å; S44-R61 WeakPolarHBondContact O-CD 3.45Å; S44-R61 VanDerWaalsContact O-CZ 3.24Å; S44-R61 PolarHBondContact O-NE 3.3Å; S44-R61 PolarHBondContact O-NH1 3.13Å
45	F	71.3	Confident	84.3	Confident	36 Å²	36	36.3 Å²	36.3	16%	0.158	19%	0.194	C	C	.	.	H	α-helix	trans	-111.9	-18.7	-173.5	39.7	-103.6	0	0	0	115.6	G41 R42 P47 R61 L68 R332	G41-F45 WeakPolarHBondContact O-CD1 3.27Å; G41-F45 WeakPolarHBondContact O-CE1 3.5Å; R42-F45 VanDerWaalsContact CA-CZ 3.43Å; R42-F45 HydrophobicContact CB-CD2 4.42Å; R42-F45 HydrophobicContact CB-CE1 4.08Å; R42-F45 HydrophobicContact CB-CE2 3.37Å; R42-F45 HydrophobicContact CB-CZ 3.17Å; R42-F45 HydrophobicContact CG-CE1 4.21Å; R42-F45 HydrophobicContact CG-CE2 3.74Å; R42-F45 HydrophobicContact CG-CZ 3.22Å; R42-F45 VanDerWaalsContact N-CZ 3.28Å; R42-F45 WeakPolarHBondContact O-CE2 3.4Å; F45-P47 WeakPolarHBondContact O-CD 3.49Å; F45-R61 PolarHBondContact O-NH2 3.44Å; F45-L68 HydrophobicContact CB-CD2 3.45Å; F45-L68 VanDerWaalsContact CB-CD2 3.45Å; F45-R332 HydrophobicContact CE1-CG 4.37Å; F45-R332 VanDerWaalsContact CE1-NE 3.28Å; F45-R332 VanDerWaalsContact CZ-NE 3.26Å; F45-R332 VanDerWaalsContact CZ-NH2 3.3Å
46	D	65.9	Low	84.3	Confident	87 Å²	87	40.7 Å²	40.7	47%	0.465	21%	0.212	S	C	.	.			trans	-95.5	95.5	174.2	-173	-0.6	0	0	0	110.1	G48 S49	D46-G48 PolarHBondContact O-N 2.96Å; D46-G48 VanDerWaalsContact O-N 3.1Å; D46-G48 WeakPolarHBondContact OD1-CA 3.09Å; D46-G48 PolarHBondContact OD1-N 3.27Å; D46-S49 WeakPolarHBondContact O-CB 3.4Å; D46-S49 PolarHBondContact O-N 2.78Å; D46-S49 VanDerWaalsContact O-N 3.1Å; D46-S49 PolarHBondContact OD1-N 3.24Å
47	P	44.6	Very low	84.2	Confident	92 Å²	92	40.7 Å²	40.7	60%	0.597	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.8	179.8	27.2	-21.5	0	0	0	111.8	F45 R61	F45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-R61 VanDerWaalsContact CA-NH1 3.31Å; P47-R61 VanDerWaalsContact CG-NH2 3.34Å; P47-R61 VanDerWaalsContact N-NH1 3.13Å
48	G	47.8	Very low	84	Confident	44 Å²	44	43.6 Å²	43.6	45%	0.454	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.4	176.4	0	0	0	0	0	114.6	D46 K50	D46-G48 PolarHBondContact O-N 2.96Å; D46-G48 VanDerWaalsContact O-N 3.1Å; D46-G48 WeakPolarHBondContact OD1-CA 3.09Å; D46-G48 PolarHBondContact OD1-N 3.27Å; G48-K50 WeakPolarHBondContact O-CG 3.32Å; G48-K50 PolarHBondContact O-N 3.35Å
49	S	66.4	Low	84	Confident	39 Å²	39	46 Å²	46	27%	0.273	24%	0.236	S	C	.	.			trans	-51.1	-33.5	-175.4	177	0	0	0	0	112	D46 V51	D46-S49 WeakPolarHBondContact O-CB 3.4Å; D46-S49 PolarHBondContact O-N 2.78Å; D46-S49 VanDerWaalsContact O-N 3.1Å; D46-S49 PolarHBondContact OD1-N 3.24Å; S49-V51 PolarHBondContact O-N 3.12Å; S49-V51 VanDerWaalsContact OG-CG1 3.24Å; S49-V51 WeakPolarHBondContact OG-CG1 3.44Å
50	K	79.6	Confident	83.9	Confident	161 Å²	161	46 Å²	46	70%	0.7	24%	0.236	S	C	*	.			trans	51.6	-11.9	176.9	-74.3	178.8	-175.1	-178.7	0	115.7	G48 V52 S232 L235	G48-K50 WeakPolarHBondContact O-CG 3.32Å; G48-K50 PolarHBondContact O-N 3.35Å; K50-V52 VanDerWaalsContact C-N 3.27Å; K50-V52 PolarHBondContact O-N 3.44Å; K50-S232 WeakPolarHBondContact O-CB 3.18Å; K50-L235 HydrophobicContact CB-CD1 3.43Å; K50-L235 VanDerWaalsContact CB-CD1 3.43Å
51	V	92.1	Very high	83.9	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.036	24%	0.239	C	C	.	.	S	Bend	trans	-67.8	-31.2	-176.1	76.6	0	0	0	0	110.6	L43 S49 V231 S232 L235 V236 Y277	L43-V51 HydrophobicContact CD2-CG1 4.29Å; S49-V51 PolarHBondContact O-N 3.12Å; S49-V51 VanDerWaalsContact OG-CG1 3.24Å; S49-V51 WeakPolarHBondContact OG-CG1 3.44Å; V51-V231 CarbonylContact O-C 3.59Å; V51-V231 WeakPolarHBondContact O-CA 3.45Å; V51-V231 VanDerWaalsContact O-CG1 3.23Å; V51-V231 WeakPolarHBondContact O-CG1 3.44Å; V51-S232 PolarHBondContact O-N 3.32Å; V51-L235 HydrophobicContact CB-CB 4.34Å; V51-L235 HydrophobicContact CG2-CB 4.23Å; V51-V236 HydrophobicContact CG2-CB 4.48Å; V51-V236 HydrophobicContact CG2-CG2 3.6Å; V51-Y277 HydrophobicContact CG1-CD2 4.23Å; V51-Y277 HydrophobicContact CG1-CE2 4.15Å; V51-Y277 HydrophobicContact CG2-CD2 3.73Å; V51-Y277 HydrophobicContact CG2-CE2 3.63Å
52	V	94.6	Very high	84	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.097	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-142.6	140.5	178.7	61.6	0	0	0	0	111.6	L43 K50 L54 K230 V231 Y277 A281	L43-V52 HydrophobicContact CD2-CG1 4.14Å; K50-V52 VanDerWaalsContact C-N 3.27Å; K50-V52 PolarHBondContact O-N 3.44Å; V52-L54 HydrophobicContact CG1-CD1 3.96Å; V52-L54 HydrophobicContact CG1-CD2 4.42Å; V52-L54 HydrophobicContact CG1-CG 4Å; V52-L54 HydrophobicContact CG2-CD2 3.98Å; V52-L54 HydrophobicContact CG2-CG 4.26Å; V52-K230 CarbonylContact C-O 3.59Å; V52-K230 WeakPolarHBondContact CA-O 3.4Å; V52-V231 HydrophobicContact CG2-CG2 4.4Å; V52-Y277 WeakPolarHBondContact CG2-O 3.28Å; V52-A281 HydrophobicContact CG2-CB 3.98Å
53	R	94.3	Very high	84.2	Confident	134 Å²	134	54.6 Å²	54.6	51%	0.506	28%	0.28	S	S	.	.			trans	-87	114.1	175.3	-65.2	-171.7	-77.7	173.3	-9.6	111	P55 T229 K230	R53-P55 WeakPolarHBondContact O-CD 3.46Å; R53-T229 PolarHBondContact NH2-O 3.46Å; R53-K230 HydrophobicContact CB-CB 4.4Å; R53-K230 PolarHBondContact N-O 3.28Å
54	L	95.5	Very high	84.7	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	28%	0.276	C	S	.	.			trans	-124.6	67.1	179.2	-56	173.3	0	0	0	111.2	F39 L43 V52 Y56 I57 N58 C280 A281 D284	F39-L54 HydrophobicContact CE1-CD1 4.39Å; F39-L54 HydrophobicContact CZ-CD1 4Å; F39-L54 HydrophobicContact CZ-CD2 4.25Å; L43-L54 HydrophobicContact CB-CD1 4.05Å; V52-L54 HydrophobicContact CG1-CD1 3.96Å; V52-L54 HydrophobicContact CG1-CD2 4.42Å; V52-L54 HydrophobicContact CG1-CG 4Å; V52-L54 HydrophobicContact CG2-CD2 3.98Å; V52-L54 HydrophobicContact CG2-CG 4.26Å; L54-Y56 VanDerWaalsContact C-N 3.29Å; L54-Y56 PolarHBondContact O-N 2.96Å; L54-I57 HydrophobicContact CB-CB 4Å; L54-I57 HydrophobicContact CB-CG1 4.2Å; L54-I57 PolarHBondContact O-N 2.88Å; L54-N58 PolarHBondContact O-N 3.5Å; L54-C280 HydrophobicContact CD2-CB 4.38Å; L54-A281 HydrophobicContact CD2-CB 4.49Å; L54-D284 HydrophobicContact CD2-CB 3.81Å
55	P	95.4	Very high	85.8	Confident	73 Å²	73	53.9 Å²	53.9	47%	0.474	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-32.7	-173.9	23.4	-36.1	0	0	0	114.7	R53 Y59 D284	R53-P55 WeakPolarHBondContact O-CD 3.46Å; P55-Y59 WeakPolarHBondContact O-CB 3.42Å; P55-Y59 PolarHBondContact O-N 3.11Å; P55-D284 WeakPolarHBondContact CD-OD2 3.43Å; P55-D284 WeakPolarHBondContact CG-OD2 3.35Å
56	Y	97.3	Very high	87	Confident	93 Å²	93	52.3 Å²	52.3	37%	0.365	27%	0.269	S	S	.	.	H	α-helix	trans	-84.8	-31.3	-176.6	-59.7	-75.2	0	0	0	112.7	L54 N58 Y59 L60 D284 I291	L54-Y56 VanDerWaalsContact C-N 3.29Å; L54-Y56 PolarHBondContact O-N 2.96Å; Y56-N58 VanDerWaalsContact C-N 3.35Å; Y56-Y59 WeakPolarHBondContact O-CB 3.31Å; Y56-Y59 PolarHBondContact O-N 3.21Å; Y56-L60 WeakPolarHBondContact O-CG 3.44Å; Y56-L60 PolarHBondContact O-N 2.92Å; Y56-L60 VanDerWaalsContact O-N 3.07Å; Y56-D284 WeakPolarHBondContact CA-OD1 3.21Å; Y56-D284 WeakPolarHBondContact CB-OD1 3.13Å; Y56-D284 WeakPolarHBondContact CD2-O 3.46Å; Y56-D284 WeakPolarHBondContact CD2-OD2 3.41Å; Y56-D284 PolarHBondContact N-OD1 2.86Å; Y56-D284 VanDerWaalsContact N-OD1 3.13Å; Y56-D284 PolarHBondContact N-OD2 3.42Å; Y56-I291 HydrophobicContact CD1-CD1 4.35Å
57	I	95.8	Very high	88.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-48.9	162.7	-64	-55.1	0	0	0	109.8	L54 Y59 L60 R61 D284 L287 F307 L336	L54-I57 HydrophobicContact CB-CB 4Å; L54-I57 HydrophobicContact CB-CG1 4.2Å; L54-I57 PolarHBondContact O-N 2.88Å; I57-Y59 VanDerWaalsContact C-N 3.28Å; I57-Y59 PolarHBondContact O-N 3.27Å; I57-L60 PolarHBondContact O-N 3.5Å; I57-R61 HydrophobicContact CG2-CG 4.39Å; I57-R61 WeakPolarHBondContact O-CG 3.13Å; I57-R61 PolarHBondContact O-N 3.35Å; I57-D284 WeakPolarHBondContact CG1-OD1 3.35Å; I57-D284 PolarHBondContact N-OD1 2.94Å; I57-L287 HydrophobicContact CD1-CD2 3.76Å; I57-F307 HydrophobicContact CD1-CD1 3.27Å; I57-F307 HydrophobicContact CD1-CD2 4.12Å; I57-F307 HydrophobicContact CD1-CE1 3.26Å; I57-F307 HydrophobicContact CD1-CE2 4.1Å; I57-F307 HydrophobicContact CD1-CG 3.71Å; I57-F307 HydrophobicContact CD1-CZ 3.69Å; I57-F307 HydrophobicContact CG1-CE1 4.4Å; I57-L336 HydrophobicContact CD1-CD1 4.43Å; I57-L336 HydrophobicContact CG2-CD1 4.39Å; I57-L336 HydrophobicContact CG2-CD2 3.97Å
58	N	94.6	Very high	90.8	Very high	61 Å²	61	44.5 Å²	44.5	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-59.3	-39	177.5	-72	-15.3	0	0	0	112.5	L54 Y56 L60 R61 E62	L54-N58 PolarHBondContact O-N 3.5Å; Y56-N58 VanDerWaalsContact C-N 3.35Å; N58-L60 PolarHBondContact O-N 3.04Å; N58-R61 WeakPolarHBondContact O-CB 3.49Å; N58-R61 PolarHBondContact O-N 2.87Å; N58-R61 VanDerWaalsContact O-N 3.14Å; N58-E62 WeakPolarHBondContact O-CG 3.31Å; N58-E62 PolarHBondContact O-N 3Å
59	Y	95.2	Very high	93.1	Very high	49 Å²	49	43.9 Å²	43.9	19%	0.192	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-44.7	172.3	176.8	-92.3	0	0	0	112.6	P55 Y56 I57 R61 L63 I291 R295 L300 M338	P55-Y59 WeakPolarHBondContact O-CB 3.42Å; P55-Y59 PolarHBondContact O-N 3.11Å; Y56-Y59 WeakPolarHBondContact O-CB 3.31Å; Y56-Y59 PolarHBondContact O-N 3.21Å; I57-Y59 VanDerWaalsContact C-N 3.28Å; I57-Y59 PolarHBondContact O-N 3.27Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 3.06Å; Y59-L63 HydrophobicContact CD1-CD1 4.48Å; Y59-L63 HydrophobicContact CD2-CD1 3.83Å; Y59-L63 HydrophobicContact CE1-CD1 3.98Å; Y59-L63 HydrophobicContact CE2-CD1 3.24Å; Y59-L63 HydrophobicContact CE2-CG 4.48Å; Y59-L63 HydrophobicContact CG-CD1 4.41Å; Y59-L63 WeakPolarHBondContact O-CB 3.21Å; Y59-L63 PolarHBondContact O-N 3.47Å; Y59-L63 WeakPolarHBondContact OH-CD1 3.44Å; Y59-I291 HydrophobicContact CD1-CD1 4.01Å; Y59-I291 HydrophobicContact CD1-CG2 4.44Å; Y59-I291 HydrophobicContact CE1-CD1 4.39Å; Y59-I291 HydrophobicContact CE1-CG2 3.94Å; Y59-R295 PolarHBondContact OH-NH2 2.77Å; Y59-L300 WeakPolarHBondContact OH-CD2 3.48Å; Y59-M338 HydrophobicContact CD1-CE 4.13Å; Y59-M338 HydrophobicContact CD1-SD 4.5Å; Y59-M338 HydrophobicContact CE1-CE 3.51Å; Y59-M338 HydrophobicContact CE1-SD 3.82Å
60	L	95.9	Very high	94.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-33.7	175	-64.9	-175.8	0	0	0	112.6	Y56 I57 N58 G64 L287 I291 L305 F307 L336 M338	Y56-L60 WeakPolarHBondContact O-CG 3.44Å; Y56-L60 PolarHBondContact O-N 2.92Å; Y56-L60 VanDerWaalsContact O-N 3.07Å; I57-L60 PolarHBondContact O-N 3.5Å; N58-L60 PolarHBondContact O-N 3.04Å; L60-G64 VanDerWaalsContact O-CA 3.24Å; L60-G64 WeakPolarHBondContact O-CA 3.49Å; L60-G64 PolarHBondContact O-N 3.43Å; L60-L287 HydrophobicContact CD1-CD1 4.36Å; L60-L287 HydrophobicContact CD1-CD2 3.78Å; L60-L287 HydrophobicContact CG-CD2 4.42Å; L60-I291 HydrophobicContact CD2-CD1 4.27Å; L60-L305 HydrophobicContact CD2-CD2 3.66Å; L60-L305 HydrophobicContact CD2-CG 4.15Å; L60-F307 HydrophobicContact CD1-CB 3.58Å; L60-F307 HydrophobicContact CD1-CG 4.49Å; L60-L336 HydrophobicContact CB-CB 4.04Å; L60-L336 HydrophobicContact CB-CD2 3.94Å; L60-L336 HydrophobicContact CD1-CB 4.16Å; L60-M338 HydrophobicContact CD2-CB 4.1Å; L60-M338 HydrophobicContact CD2-CE 4.29Å; L60-M338 HydrophobicContact CD2-CG 4.25Å; L60-M338 HydrophobicContact CD2-SD 3.57Å; L60-M338 VanDerWaalsContact CD2-SD 3.57Å
61	R	93.1	Very high	95.5	Very high	22 Å²	22	34.4 Å²	34.4	8%	0.083	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-47.3	176.8	-65.8	174.1	65.6	157.9	7.9	112.1	S44 F45 P47 I57 N58 Y59 L63 T66 L336	S44-R61 VanDerWaalsContact O-CD 3.23Å; S44-R61 WeakPolarHBondContact O-CD 3.45Å; S44-R61 VanDerWaalsContact O-CZ 3.24Å; S44-R61 PolarHBondContact O-NE 3.3Å; S44-R61 PolarHBondContact O-NH1 3.13Å; F45-R61 PolarHBondContact O-NH2 3.44Å; P47-R61 VanDerWaalsContact CA-NH1 3.31Å; P47-R61 VanDerWaalsContact CG-NH2 3.34Å; P47-R61 VanDerWaalsContact N-NH1 3.13Å; I57-R61 HydrophobicContact CG2-CG 4.39Å; I57-R61 WeakPolarHBondContact O-CG 3.13Å; I57-R61 PolarHBondContact O-N 3.35Å; N58-R61 WeakPolarHBondContact O-CB 3.49Å; N58-R61 PolarHBondContact O-N 2.87Å; N58-R61 VanDerWaalsContact O-N 3.14Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 3.06Å; R61-L63 VanDerWaalsContact C-N 3.31Å; R61-L63 PolarHBondContact O-N 3.48Å; R61-T66 HydrophobicContact CG-CG2 4.44Å; R61-L336 HydrophobicContact CB-CD2 4.36Å; R61-L336 HydrophobicContact CG-CD2 3.34Å
62	E	93.7	Very high	95.8	Very high	136 Å²	136	34.1 Å²	34.1	64%	0.636	16%	0.161	S	C	*	.	H	α-helix	trans	-66.6	-35.5	-177.3	-73.7	174.7	-172.9	0	0	111.9	N58 S344 G345	N58-E62 WeakPolarHBondContact O-CG 3.31Å; N58-E62 PolarHBondContact O-N 3Å; E62-S344 PolarHBondContact O-OG 3.5Å; E62-S344 VanDerWaalsContact O-OG 3.1Å; E62-G345 PolarHBondContact O-N 2.78Å
63	L	95.7	Very high	95.9	Very high	77 Å²	77	33.4 Å²	33.4	40%	0.403	16%	0.156	S	C	.	.	H	α-helix	trans	-109	1.1	-171.3	-63	-179	0	0	0	114.5	Y59 R61 M338 S344	Y59-L63 HydrophobicContact CD1-CD1 4.48Å; Y59-L63 HydrophobicContact CD2-CD1 3.83Å; Y59-L63 HydrophobicContact CE1-CD1 3.98Å; Y59-L63 HydrophobicContact CE2-CD1 3.24Å; Y59-L63 HydrophobicContact CE2-CG 4.48Å; Y59-L63 HydrophobicContact CG-CD1 4.41Å; Y59-L63 WeakPolarHBondContact O-CB 3.21Å; Y59-L63 PolarHBondContact O-N 3.47Å; Y59-L63 WeakPolarHBondContact OH-CD1 3.44Å; R61-L63 VanDerWaalsContact C-N 3.31Å; R61-L63 PolarHBondContact O-N 3.48Å; L63-M338 HydrophobicContact CB-CE 3.19Å; L63-M338 HydrophobicContact CD1-CE 3.81Å; L63-M338 HydrophobicContact CG-CE 4.16Å; L63-S344 VanDerWaalsContact CA-OG 3.31Å; L63-S344 WeakPolarHBondContact CA-OG 3.37Å
64	G	96.3	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-137.3	-158.5	-177.1	0	0	0	0	0	112.6	L60 I337 K343 S344 G345 L346	L60-G64 VanDerWaalsContact O-CA 3.24Å; L60-G64 WeakPolarHBondContact O-CA 3.49Å; L60-G64 PolarHBondContact O-N 3.43Å; G64-I337 CarbonylContact C-O 3.52Å; G64-I337 WeakPolarHBondContact CA-O 3.18Å; G64-K343 CarbonylContact C-O 3.52Å; G64-S344 CarbonylContact O-C 3.57Å; G64-G345 PolarHBondContact O-N 2.86Å; G64-L346 PolarHBondContact O-N 2.88Å; G64-L346 VanDerWaalsContact O-N 3.14Å
65	S	96.8	Very high	96.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.9	175.7	-63.9	0	0	0	0	110.1	L336 I337 K343 L346 I382	S65-L336 WeakPolarHBondContact O-CA 3.49Å; S65-I337 PolarHBondContact N-O 2.99Å; S65-I337 PolarHBondContact O-N 2.91Å; S65-K343 PolarHBondContact OG-O 3.19Å; S65-L346 CarbonylContact C-O 3.51Å; S65-L346 WeakPolarHBondContact CA-O 3.44Å; S65-I382 WeakPolarHBondContact OG-CG2 3.46Å
66	T	96.4	Very high	96.2	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.3	179.4	-52.7	0	0	0	0	109.5	R61 L68 L336 L346 Q347 V348	R61-T66 HydrophobicContact CG-CG2 4.44Å; T66-L68 HydrophobicContact CG2-CD2 4Å; T66-L336 HydrophobicContact CG2-CD2 4.24Å; T66-L336 HydrophobicContact CG2-CG 4.28Å; T66-L346 PolarHBondContact N-O 3.09Å; T66-Q347 WeakPolarHBondContact O-CA 3.31Å; T66-V348 PolarHBondContact O-N 3.42Å
67	F	96.7	Very high	96.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.4	176	-66.8	-102	0	0	0	109.3	N69 T70 L335 I337 V348 V352 V378 L381 I382	F67-N69 VanDerWaalsContact C-N 3.34Å; F67-T70 VanDerWaalsContact CB-OG1 3.24Å; F67-T70 WeakPolarHBondContact CB-OG1 3.35Å; F67-L335 HydrophobicContact CB-CB 4.09Å; F67-L335 HydrophobicContact CB-CD2 4.14Å; F67-L335 HydrophobicContact CB-CG 4.25Å; F67-L335 HydrophobicContact CD1-CD2 4.4Å; F67-L335 HydrophobicContact CD2-CB 4.39Å; F67-L335 HydrophobicContact CD2-CD2 3.77Å; F67-L335 HydrophobicContact CD2-CG 3.72Å; F67-L335 HydrophobicContact CE2-CD2 4.23Å; F67-L335 HydrophobicContact CE2-CG 4.35Å; F67-L335 HydrophobicContact CG-CD2 3.86Å; F67-L335 HydrophobicContact CG-CG 4.15Å; F67-L335 PolarHBondContact N-O 3.27Å; F67-I337 HydrophobicContact CE2-CD1 3.83Å; F67-I337 HydrophobicContact CE2-CG1 4.06Å; F67-I337 HydrophobicContact CZ-CD1 4.41Å; F67-V348 HydrophobicContact CD1-CB 3.73Å; F67-V348 HydrophobicContact CD1-CG1 3.61Å; F67-V348 HydrophobicContact CD1-CG2 4.29Å; F67-V348 HydrophobicContact CE1-CB 4.02Å; F67-V348 HydrophobicContact CE1-CG1 3.71Å; F67-V348 HydrophobicContact CE1-CG2 4.16Å; F67-V348 HydrophobicContact CG-CB 4.15Å; F67-V348 HydrophobicContact CZ-CG2 4.38Å; F67-V352 HydrophobicContact CB-CG2 4.01Å; F67-V352 HydrophobicContact CD1-CB 4.44Å; F67-V352 HydrophobicContact CD1-CG1 3.93Å; F67-V352 HydrophobicContact CD1-CG2 3.69Å; F67-V352 HydrophobicContact CE1-CG1 4.14Å; F67-V352 HydrophobicContact CG-CG2 4.14Å; F67-V378 HydrophobicContact CE1-CB 3.75Å; F67-V378 HydrophobicContact CE1-CG1 4.12Å; F67-V378 HydrophobicContact CE1-CG2 4.14Å; F67-V378 HydrophobicContact CE2-CG2 4.32Å; F67-V378 HydrophobicContact CZ-CB 3.7Å; F67-V378 HydrophobicContact CZ-CG1 4.44Å; F67-V378 HydrophobicContact CZ-CG2 3.62Å; F67-L381 HydrophobicContact CE1-CB 4.45Å; F67-L381 HydrophobicContact CE1-CD1 4Å; F67-I382 HydrophobicContact CE1-CG2 4.22Å; F67-I382 HydrophobicContact CE2-CD1 4.33Å; F67-I382 HydrophobicContact CE2-CG2 3.77Å; F67-I382 HydrophobicContact CZ-CD1 4.26Å; F67-I382 HydrophobicContact CZ-CG2 3.37Å
68	L	94.2	Very high	96.1	Very high	14 Å²	14	19 Å²	19	7%	0.073	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-30.8	-172.9	-52.8	-177.3	0	0	0	111.2	F45 T66 R332 Q347 V348 H349	F45-L68 HydrophobicContact CB-CD2 3.45Å; F45-L68 VanDerWaalsContact CB-CD2 3.45Å; T66-L68 HydrophobicContact CG2-CD2 4Å; L68-R332 PolarHBondContact O-NE 3.08Å; L68-R332 PolarHBondContact O-NH2 3.01Å; L68-Q347 HydrophobicContact CD1-CB 4.2Å; L68-Q347 HydrophobicContact CD2-CB 4.38Å; L68-Q347 HydrophobicContact CD2-CG 4.43Å; L68-Q347 HydrophobicContact CG-CB 4.39Å; L68-V348 PolarHBondContact N-O 3.31Å; L68-H349 WeakPolarHBondContact CD1-CE1 3.37Å
69	N	95.3	Very high	96.3	Very high	32 Å²	32	16.1 Å²	16.1	17%	0.171	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	62	-172.4	-57	-53	0	0	0	112	F67 Y71 R332 H349 L351 V352	F67-N69 VanDerWaalsContact C-N 3.34Å; N69-Y71 HydrophobicContact CB-CE2 4.3Å; N69-R332 PolarHBondContact OD1-NH2 3.47Å; N69-R332 VanDerWaalsContact OD1-NH2 3.11Å; N69-H349 PolarHBondContact ND2-O 3.04Å; N69-L351 HydrophobicContact CB-CD2 3.66Å; N69-V352 PolarHBondContact O-N 3.26Å
70	T	97.8	Very high	96.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.8	175.5	-50	0	0	0	0	111.1	F67 R332 V333 L335 V352 L354	F67-T70 VanDerWaalsContact CB-OG1 3.24Å; F67-T70 WeakPolarHBondContact CB-OG1 3.35Å; T70-R332 WeakPolarHBondContact O-CA 3.44Å; T70-R332 WeakPolarHBondContact O-CG 3.5Å; T70-V333 WeakPolarHBondContact CB-O 2.97Å; T70-V333 HydrophobicContact CG2-CG2 3.75Å; T70-V333 PolarHBondContact O-N 3.22Å; T70-L335 HydrophobicContact CG2-CB 3.83Å; T70-L335 HydrophobicContact CG2-CD2 4.03Å; T70-L335 VanDerWaalsContact OG1-CB 3.31Å; T70-L335 WeakPolarHBondContact OG1-CB 3.35Å; T70-V352 CarbonylContact C-O 3.59Å; T70-V352 VanDerWaalsContact CA-O 3.3Å; T70-V352 WeakPolarHBondContact CA-O 3.16Å; T70-V352 HydrophobicContact CG2-CG2 3.98Å; T70-V352 VanDerWaalsContact OG1-CG2 3.22Å; T70-V352 WeakPolarHBondContact OG1-CG2 3.38Å; T70-L354 HydrophobicContact CG2-CD2 4.23Å
71	Y	98.3	Very high	96.5	Very high	1 Å²	1	13.8 Å²	13.8	0%	0.004	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.4	-178.9	-71.4	-94.5	0	0	0	112.7	N69 E328 S331 R332 L351 V352 S353 L354 V397 M412 R414	N69-Y71 HydrophobicContact CB-CE2 4.3Å; Y71-E328 WeakPolarHBondContact CE1-OE1 3.33Å; Y71-E328 VanDerWaalsContact CZ-OE1 3.26Å; Y71-E328 PolarHBondContact OH-OE1 3.1Å; Y71-E328 PolarHBondContact OH-OE2 2.97Å; Y71-S331 WeakPolarHBondContact CA-O 3.24Å; Y71-R332 HydrophobicContact CD1-CB 4.34Å; Y71-R332 HydrophobicContact CE1-CB 4.03Å; Y71-L351 HydrophobicContact CE2-CD2 4.08Å; Y71-V352 PolarHBondContact N-O 3.17Å; Y71-S353 VanDerWaalsContact O-CA 3.26Å; Y71-S353 WeakPolarHBondContact O-CA 3.12Å; Y71-S353 PolarHBondContact O-OG 3.31Å; Y71-L354 PolarHBondContact O-N 3.4Å; Y71-L354 VanDerWaalsContact O-N 3.07Å; Y71-V397 HydrophobicContact CD2-CG2 3.69Å; Y71-V397 HydrophobicContact CE2-CG2 4.42Å; Y71-V397 HydrophobicContact CG-CG2 3.96Å; Y71-M412 HydrophobicContact CD1-CE 3.72Å; Y71-M412 HydrophobicContact CE1-CE 4.27Å; Y71-M412 HydrophobicContact CG-CE 4.3Å; Y71-R414 HydrophobicContact CE2-CG 4.09Å
72	T	98.5	Very high	96.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.			trans	-69.1	145.1	170	-173	0	0	0	0	112	S74 P75 S80 D310 H311 S331 S399	T72-S74 WeakPolarHBondContact CG2-O 3.44Å; T72-S74 PolarHBondContact O-N 3.28Å; T72-S74 PolarHBondContact OG1-N 3.45Å; T72-S74 PolarHBondContact OG1-O 3.02Å; T72-P75 HydrophobicContact CG2-CB 4.36Å; T72-S80 WeakPolarHBondContact OG1-CB 3.44Å; T72-S80 PolarHBondContact OG1-OG 3.25Å; T72-D310 WeakPolarHBondContact CB-O 3.5Å; T72-D310 PolarHBondContact OG1-O 3.36Å; T72-H311 HydrophobicContact CG2-CB 4.42Å; T72-S331 WeakPolarHBondContact CG2-O 3.41Å; T72-S331 PolarHBondContact N-O 2.74Å; T72-S399 WeakPolarHBondContact O-CB 3.28Å; T72-S399 PolarHBondContact O-OG 2.84Å
73	N	96.6	Very high	96.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	-69.3	-20	172.1	-59.3	101.3	0	0	0	113.3	A83 F89 S353 L354 V355 S399 E400	N73-A83 HydrophobicContact CB-CB 3.61Å; N73-F89 WeakPolarHBondContact ND2-CE1 3.45Å; N73-S353 PolarHBondContact ND2-OG 3.3Å; N73-L354 WeakPolarHBondContact OD1-CB 3.36Å; N73-V355 WeakPolarHBondContact ND2-CB 3.45Å; N73-V355 WeakPolarHBondContact ND2-CG1 3.43Å; N73-V355 PolarHBondContact OD1-N 3.23Å; N73-S399 VanDerWaalsContact C-OG 3.31Å; N73-S399 CarbonylContact O-C 3.26Å; N73-S399 WeakPolarHBondContact O-CA 3.02Å; N73-S399 PolarHBondContact O-OG 3.33Å; N73-E400 PolarHBondContact O-N 3.26Å
74	S	98.3	Very high	97	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.007	1%	0.014	C	C	.	.	S	Bend	trans	-160.5	131.9	175.4	164.7	0	0	0	0	109.4	T72 I76 P79 S80 S399 E400	T72-S74 WeakPolarHBondContact CG2-O 3.44Å; T72-S74 PolarHBondContact O-N 3.28Å; T72-S74 PolarHBondContact OG1-N 3.45Å; T72-S74 PolarHBondContact OG1-O 3.02Å; S74-I76 PolarHBondContact O-N 3.02Å; S74-I76 VanDerWaalsContact OG-CG2 3.24Å; S74-I76 WeakPolarHBondContact OG-CG2 3.46Å; S74-P79 WeakPolarHBondContact OG-CB 3.37Å; S74-S80 WeakPolarHBondContact O-CB 3.31Å; S74-S399 PolarHBondContact N-OG 2.9Å; S74-E400 VanDerWaalsContact CA-O 3.25Å; S74-E400 WeakPolarHBondContact CA-O 3.34Å; S74-E400 WeakPolarHBondContact CB-O 3.38Å; S74-E400 PolarHBondContact OG-O 2.87Å; S74-E400 VanDerWaalsContact OG-O 3.09Å
75	P	97.4	Very high	97	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.014	C	C	.	.	S	Bend	trans	-75.2	47.6	-176.6	32.4	-37	0	0	0	113.2	T72 K323 M324 S325 M326 S330 Y401	T72-P75 HydrophobicContact CG2-CB 4.36Å; P75-K323 VanDerWaalsContact O-CB 3.3Å; P75-K323 WeakPolarHBondContact O-CB 3.4Å; P75-K323 WeakPolarHBondContact O-CG 3.39Å; P75-M324 WeakPolarHBondContact O-CA 3.29Å; P75-M324 PolarHBondContact O-N 3.4Å; P75-S325 WeakPolarHBondContact CB-O 3.35Å; P75-S325 WeakPolarHBondContact CG-O 3.25Å; P75-M326 HydrophobicContact CG-CE 4.25Å; P75-M326 HydrophobicContact CG-SD 4.03Å; P75-S330 WeakPolarHBondContact CB-OG 3.37Å; P75-Y401 HydrophobicContact CG-CD2 4.07Å; P75-Y401 HydrophobicContact CG-CG 4.11Å
76	I	96	Very high	97	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.005	2%	0.018	C	C	.	.	S	Bend	trans	-157.6	150.5	175.9	-167.2	171.8	0	0	0	110.6	S74 C78 P79 S80 N98 H311 M324 Y401	S74-I76 PolarHBondContact O-N 3.02Å; S74-I76 VanDerWaalsContact OG-CG2 3.24Å; S74-I76 WeakPolarHBondContact OG-CG2 3.46Å; I76-C78 PolarHBondContact O-N 3.46Å; I76-P79 HydrophobicContact CG2-CB 3.93Å; I76-P79 HydrophobicContact CG2-CG 3.57Å; I76-S80 WeakPolarHBondContact O-CB 3.49Å; I76-S80 PolarHBondContact O-N 3.23Å; I76-N98 HydrophobicContact CD1-CB 4.42Å; I76-N98 WeakPolarHBondContact CD1-ND2 3.33Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.38Å; I76-H311 VanDerWaalsContact C-CD2 3.49Å; I76-M324 HydrophobicContact CD1-CE 3.63Å; I76-M324 HydrophobicContact CD1-CG 4.37Å; I76-M324 HydrophobicContact CG1-CE 4.26Å; I76-Y401 HydrophobicContact CB-CD2 4.37Å; I76-Y401 HydrophobicContact CB-CE2 3.73Å; I76-Y401 HydrophobicContact CD1-CE2 3.98Å; I76-Y401 HydrophobicContact CG1-CE2 4.46Å; I76-Y401 HydrophobicContact CG2-CD2 3.85Å; I76-Y401 HydrophobicContact CG2-CE2 3.47Å; I76-Y401 VanDerWaalsContact CG2-CE2 3.47Å
77	C	95.1	Very high	96.9	Very high	2 Å²	2	3 Å²	3	1%	0.014	2%	0.017	C	C	.	.	H	α-helix	trans	-48.1	-66.9	-171.2	-55.4	0	0	0	0	113.9	D37 S80 R81 D310 H311 K323	D37-C77 PolarHBondContact OD2-SG 3.46Å; C77-S80 PolarHBondContact O-N 3.14Å; C77-R81 WeakPolarHBondContact O-CB 3.44Å; C77-R81 VanDerWaalsContact O-CG 3.22Å; C77-R81 WeakPolarHBondContact O-CG 3.48Å; C77-R81 PolarHBondContact O-N 3.31Å; C77-D310 WeakPolarHBondContact CA-OD2 3.31Å; C77-H311 PolarHBondContact N-CD2 2.98Å; C77-H311 PolarHBondContact SG-NE2 2.86Å; C77-K323 PolarHBondContact SG-NZ 2.8Å
78	C	96.6	Very high	96.9	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.007	3%	0.03	C	C	.	.	H	α-helix	trans	-74	-45.6	-162.9	-175.3	0	0	0	0	114.3	I76 S80 R81 A82 N98 C101 D127	I76-C78 PolarHBondContact O-N 3.46Å; C78-S80 VanDerWaalsContact C-N 3.35Å; C78-S80 PolarHBondContact O-N 2.88Å; C78-R81 PolarHBondContact O-N 3.44Å; C78-A82 WeakPolarHBondContact O-CB 3.35Å; C78-A82 PolarHBondContact O-N 3.25Å; C78-N98 WeakPolarHBondContact CB-OD1 3.48Å; C78-N98 PolarHBondContact N-OD1 3.35Å; C78-N98 VanDerWaalsContact N-OD1 3.09Å; C78-C101 VanDerWaalsContact C-SG 3.52Å; C78-C101 HydrophobicContact CB-CB 4.47Å; C78-C101 WeakPolarHBondContact CB-SG 3.41Å; C78-C101 WeakPolarHBondContact SG-CB 3.24Å; C78-C101 CovalentContact SG-SG 2.03Å; C78-C101 PolarHBondContact SG-SG 3.34Å; C78-D127 WeakPolarHBondContact CA-O 3.26Å; C78-D127 HydrophobicContact CB-CB 4.49Å; C78-D127 WeakPolarHBondContact CB-O 3.4Å
79	P	97.8	Very high	97.1	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-55.5	-41.8	169.7	-32.7	37.4	0	0	0	114.8	S74 I76 A83 V90 S95	S74-P79 WeakPolarHBondContact OG-CB 3.37Å; I76-P79 HydrophobicContact CG2-CB 3.93Å; I76-P79 HydrophobicContact CG2-CG 3.57Å; P79-A83 WeakPolarHBondContact O-CB 3.47Å; P79-A83 PolarHBondContact O-N 3.42Å; P79-V90 HydrophobicContact CB-CG2 4.15Å; P79-S95 VanDerWaalsContact CB-O 3.23Å; P79-S95 WeakPolarHBondContact CB-O 3.33Å; P79-S95 VanDerWaalsContact CG-O 3.24Å; P79-S95 WeakPolarHBondContact CG-O 3.4Å
80	S	98.1	Very high	97.2	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-62	-50.6	176.6	175	0	0	0	0	111.6	T72 S74 I76 C77 C78 A83 M84 D310 L354	T72-S80 WeakPolarHBondContact OG1-CB 3.44Å; T72-S80 PolarHBondContact OG1-OG 3.25Å; S74-S80 WeakPolarHBondContact O-CB 3.31Å; I76-S80 WeakPolarHBondContact O-CB 3.49Å; I76-S80 PolarHBondContact O-N 3.23Å; C77-S80 PolarHBondContact O-N 3.14Å; C78-S80 VanDerWaalsContact C-N 3.35Å; C78-S80 PolarHBondContact O-N 2.88Å; S80-A83 PolarHBondContact O-N 3.34Å; S80-M84 WeakPolarHBondContact O-CB 3.33Å; S80-M84 PolarHBondContact O-N 3.34Å; S80-D310 WeakPolarHBondContact CB-O 3.44Å; S80-D310 PolarHBondContact OG-O 2.74Å; S80-L354 WeakPolarHBondContact OG-CD1 3.39Å
81	R	98	Very high	97.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.4	-44.2	179.8	-68.2	173.2	-171.8	-103.9	-1	110.6	M35 D37 C77 C78 A83 M84 W85 K125 L126 D127 Y198 D310	M35-R81 HydrophobicContact CE-CG 3.41Å; M35-R81 VanDerWaalsContact CE-CG 3.41Å; M35-R81 VanDerWaalsContact CE-NH1 3.35Å; D37-R81 IonicContact OD2-NH2 3.64Å; C77-R81 WeakPolarHBondContact O-CB 3.44Å; C77-R81 VanDerWaalsContact O-CG 3.22Å; C77-R81 WeakPolarHBondContact O-CG 3.48Å; C77-R81 PolarHBondContact O-N 3.31Å; C78-R81 PolarHBondContact O-N 3.44Å; R81-A83 VanDerWaalsContact C-N 3.31Å; R81-A83 PolarHBondContact O-N 3.2Å; R81-M84 PolarHBondContact O-N 3.06Å; R81-W85 VanDerWaalsContact O-CB 3.32Å; R81-W85 WeakPolarHBondContact O-CB 3.32Å; R81-W85 PolarHBondContact O-N 2.88Å; R81-K125 PolarHBondContact NH1-O 3.37Å; R81-L126 WeakPolarHBondContact CD-O 3.3Å; R81-D127 VanDerWaalsContact CB-O 3.25Å; R81-D127 WeakPolarHBondContact CB-O 3.44Å; R81-D127 WeakPolarHBondContact CD-O 3.46Å; R81-Y198 PolarHBondContact NH1-OH 3.22Å; R81-D310 HydrophobicContact CG-CB 4.01Å; R81-D310 IonicContact CZ-OD2 3.83Å; R81-D310 IonicContact NE-OD2 3.66Å; R81-D310 PolarHBondContact NE-OD2 3.38Å; R81-D310 VanDerWaalsContact NH2-CG 3.28Å; R81-D310 IonicContact NH2-OD1 3.23Å; R81-D310 IonicContact NH2-OD2 3.83Å; R81-D310 PolarHBondContact NH2-OD2 3.01Å
82	A	97.8	Very high	97.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-54.6	-47	175	0	0	0	0	0	112.3	C78 S86 S95 C101 L102	C78-A82 WeakPolarHBondContact O-CB 3.35Å; C78-A82 PolarHBondContact O-N 3.25Å; A82-S86 WeakPolarHBondContact O-CB 3.19Å; A82-S86 PolarHBondContact O-N 2.83Å; A82-S86 PolarHBondContact O-OG 3.09Å; A82-S95 VanDerWaalsContact CB-OG 3.29Å; A82-S95 WeakPolarHBondContact CB-OG 3.43Å; A82-C101 HydrophobicContact CB-CB 4.09Å; A82-L102 HydrophobicContact CB-CD1 4.46Å; A82-L102 HydrophobicContact CB-CD2 4.24Å; A82-L102 HydrophobicContact CB-CG 3.79Å
83	A	97.7	Very high	97	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.4	-46.9	177.9	0	0	0	0	0	112	N73 P79 S80 R81 S86 G87 Q88 V90	N73-A83 HydrophobicContact CB-CB 3.61Å; P79-A83 WeakPolarHBondContact O-CB 3.47Å; P79-A83 PolarHBondContact O-N 3.42Å; S80-A83 PolarHBondContact O-N 3.34Å; R81-A83 VanDerWaalsContact C-N 3.31Å; R81-A83 PolarHBondContact O-N 3.2Å; A83-S86 PolarHBondContact O-OG 2.87Å; A83-G87 WeakPolarHBondContact O-CA 3.35Å; A83-G87 PolarHBondContact O-N 3.37Å; A83-Q88 WeakPolarHBondContact CA-O 3.37Å; A83-Q88 WeakPolarHBondContact CB-O 3.03Å; A83-Q88 PolarHBondContact O-N 3.1Å; A83-V90 HydrophobicContact CB-CG2 4.45Å
84	M	97.8	Very high	97	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.8	-52	176.6	-170.1	-168.1	63.2	0	0	111.2	M33 M35 S80 R81 S86 G87 W109 L354 L357 H358	M33-M84 HydrophobicContact SD-CE 4.41Å; M35-M84 HydrophobicContact CE-CE 3.84Å; M35-M84 HydrophobicContact CE-SD 4.33Å; M35-M84 HydrophobicContact SD-CE 3.4Å; M35-M84 WeakPolarHBondContact SD-CE 3.32Å; M35-M84 HydrophobicContact SD-SD 3.72Å; S80-M84 WeakPolarHBondContact O-CB 3.33Å; S80-M84 PolarHBondContact O-N 3.34Å; R81-M84 PolarHBondContact O-N 3.06Å; M84-S86 PolarHBondContact O-N 3.07Å; M84-G87 PolarHBondContact O-N 3.4Å; M84-W109 VanDerWaalsContact C-CZ3 3.48Å; M84-W109 HydrophobicContact CB-CH2 4.47Å; M84-W109 HydrophobicContact CE-CH2 3.48Å; M84-W109 VanDerWaalsContact CE-CH2 3.48Å; M84-W109 HydrophobicContact CE-CZ2 3.83Å; M84-W109 HydrophobicContact CG-CH2 3.45Å; M84-W109 VanDerWaalsContact CG-CH2 3.45Å; M84-W109 HydrophobicContact CG-CZ3 3.69Å; M84-W109 VanDerWaalsContact O-CE3 3.27Å; M84-W109 WeakPolarHBondContact O-CZ3 3.39Å; M84-W109 HydrophobicContact SD-CH2 3.71Å; M84-L354 HydrophobicContact CB-CB 4.25Å; M84-L354 HydrophobicContact CG-CB 4.1Å; M84-L354 WeakPolarHBondContact CG-O 3.46Å; M84-L354 HydrophobicContact SD-CB 4.5Å; M84-L357 HydrophobicContact CG-CB 4.23Å; M84-L357 HydrophobicContact CG-CD1 4.23Å; M84-L357 HydrophobicContact SD-CD1 3.81Å; M84-H358 WeakPolarHBondContact O-CB 3.36Å
85	W	96.8	Very high	96.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-69.5	-33.7	-174.4	-78.8	69.2	0	0	0	113.7	R81 L102 T108 W109 M110 M122 L126 Y128 Y198 H358	R81-W85 VanDerWaalsContact O-CB 3.32Å; R81-W85 WeakPolarHBondContact O-CB 3.32Å; R81-W85 PolarHBondContact O-N 2.88Å; W85-L102 HydrophobicContact CB-CD1 4.43Å; W85-T108 HydrophobicContact CB-CG2 4.31Å; W85-T108 HydrophobicContact CE3-CG2 3.98Å; W85-W109 HydrophobicContact CD2-CZ2 4.26Å; W85-W109 HydrophobicContact CG-CZ2 4.4Å; W85-W109 PolarHBondContact O-N 3.23Å; W85-M110 HydrophobicContact CE3-CG 4.26Å; W85-M110 HydrophobicContact CH2-CG 3.72Å; W85-M110 HydrophobicContact CZ3-CB 4Å; W85-M110 HydrophobicContact CZ3-CG 3.3Å; W85-M122 HydrophobicContact CH2-CG 4.13Å; W85-M122 HydrophobicContact CH2-SD 3.43Å; W85-M122 WeakPolarHBondContact CH2-SD 3.22Å; W85-M122 HydrophobicContact CZ3-SD 3.61Å; W85-L126 HydrophobicContact CH2-CD2 4.17Å; W85-L126 HydrophobicContact CZ2-CD2 4.12Å; W85-Y128 HydrophobicContact CB-CG 4.45Å; W85-Y128 AromaticContact CD2-CD1 3.62Å; W85-Y128 HydrophobicContact CD2-CD1 3.62Å; W85-Y128 AromaticContact CD2-CE1 3.79Å; W85-Y128 HydrophobicContact CD2-CE1 3.79Å; W85-Y128 HydrophobicContact CD2-CG 4.18Å; W85-Y128 AromaticContact CE2-CD1 3.69Å; W85-Y128 AromaticContact CE2-CE1 3.96Å; W85-Y128 AromaticContact CE3-CD1 3.98Å; W85-Y128 HydrophobicContact CE3-CD1 3.98Å; W85-Y128 AromaticContact CE3-CE1 3.64Å; W85-Y128 HydrophobicContact CE3-CE1 3.64Å; W85-Y128 AromaticContact CG-CD1 3.96Å; W85-Y128 HydrophobicContact CG-CD1 3.96Å; W85-Y128 HydrophobicContact CG-CG 4.09Å; W85-Y128 AromaticContact CH2-CE1 3.96Å; W85-Y128 HydrophobicContact CH2-CE1 3.96Å; W85-Y128 HydrophobicContact CZ2-CD1 4.16Å; W85-Y128 HydrophobicContact CZ2-CE1 4.06Å; W85-Y128 HydrophobicContact CZ3-CD1 4.4Å; W85-Y128 AromaticContact CZ3-CE1 3.72Å; W85-Y128 HydrophobicContact CZ3-CE1 3.72Å; W85-Y128 AromaticContact NE1-CD1 3.99Å; W85-Y198 HydrophobicContact CH2-CD1 4.28Å; W85-Y198 HydrophobicContact CH2-CD2 4.29Å; W85-Y198 HydrophobicContact CH2-CG 4.07Å; W85-Y198 AromaticContact CZ2-CD1 3.92Å; W85-Y198 HydrophobicContact CZ2-CD1 3.92Å; W85-Y198 AromaticContact CZ2-CD2 3.65Å; W85-Y198 HydrophobicContact CZ2-CD2 3.65Å; W85-Y198 AromaticContact CZ2-CE1 3.95Å; W85-Y198 HydrophobicContact CZ2-CE1 3.95Å; W85-Y198 AromaticContact CZ2-CE2 3.66Å; W85-Y198 HydrophobicContact CZ2-CE2 3.66Å; W85-Y198 AromaticContact CZ2-CG 3.77Å; W85-Y198 HydrophobicContact CZ2-CG 3.77Å; W85-Y198 AromaticContact CZ2-CZ 3.8Å; W85-H358 PolarHBondContact O-CE1 3.3Å; W85-H358 PolarHBondContact O-ND1 3.06Å
86	S	95.2	Very high	96.8	Very high	12 Å²	12	15 Å²	15	8%	0.084	8%	0.075	C	C	.	.	H	α-helix	trans	-89.2	-20	178.7	62.3	0	0	0	0	114	A82 A83 M84 Q88	A82-S86 WeakPolarHBondContact O-CB 3.19Å; A82-S86 PolarHBondContact O-N 2.83Å; A82-S86 PolarHBondContact O-OG 3.09Å; A83-S86 PolarHBondContact O-OG 2.87Å; M84-S86 PolarHBondContact O-N 3.07Å; S86-Q88 VanDerWaalsContact C-N 3.28Å; S86-Q88 PolarHBondContact OG-N 2.93Å
87	G	95.8	Very high	96.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	18.7	-172.5	0	0	0	0	0	113.6	A83 M84 V355 H358 L373 S374	A83-G87 WeakPolarHBondContact O-CA 3.35Å; A83-G87 PolarHBondContact O-N 3.37Å; M84-G87 PolarHBondContact O-N 3.4Å; G87-V355 WeakPolarHBondContact O-CG2 3.4Å; G87-H358 VanDerWaalsContact CA-CB 3.5Å; G87-H358 PolarHBondContact N-ND1 3.01Å; G87-L373 CarbonylContact O-C 3.58Å; G87-L373 WeakPolarHBondContact O-CA 3.41Å; G87-S374 PolarHBondContact O-N 2.87Å
88	Q	96.3	Very high	96.7	Very high	57 Å²	57	15.4 Å²	15.4	27%	0.266	8%	0.077	S	C	.	.	S	Bend	trans	-122.5	142.2	-178.9	-58.3	-167.7	-57.6	0	0	111.6	A83 S86 L92 N372	A83-Q88 WeakPolarHBondContact CA-O 3.37Å; A83-Q88 WeakPolarHBondContact CB-O 3.03Å; A83-Q88 PolarHBondContact O-N 3.1Å; S86-Q88 VanDerWaalsContact C-N 3.28Å; S86-Q88 PolarHBondContact OG-N 2.93Å; Q88-L92 HydrophobicContact CB-CB 4.14Å; Q88-N372 PolarHBondContact NE2-O 3.01Å
89	F	97.8	Very high	96.6	Very high	13 Å²	13	18 Å²	18	6%	0.057	9%	0.087	C	C	.	.			trans	-59.9	163.1	171.9	-72.3	-45.1	0	0	0	112.8	N73 H91 L92 S93 V355 S374 W396 L398 I464	N73-F89 WeakPolarHBondContact ND2-CE1 3.45Å; F89-H91 VanDerWaalsContact C-N 3.31Å; F89-H91 VanDerWaalsContact CB-CE1 3.5Å; F89-H91 WeakPolarHBondContact CB-CE1 3.47Å; F89-H91 AromaticContact CD2-CE1 3.91Å; F89-H91 PolarHBondContact O-N 3.03Å; F89-L92 PolarHBondContact O-N 2.78Å; F89-L92 VanDerWaalsContact O-N 3.1Å; F89-S93 PolarHBondContact O-N 3.49Å; F89-S93 PolarHBondContact O-OG 3.32Å; F89-V355 HydrophobicContact CD1-CG1 4.32Å; F89-V355 HydrophobicContact CE1-CG1 3.72Å; F89-V355 HydrophobicContact CZ-CG1 4.33Å; F89-S374 VanDerWaalsContact CD2-CB 3.45Å; F89-S374 WeakPolarHBondContact CD2-OG 3.41Å; F89-S374 PolarHBondContact N-OG 3.37Å; F89-W396 HydrophobicContact CE2-CH2 4.22Å; F89-W396 HydrophobicContact CE2-CZ3 4.14Å; F89-W396 HydrophobicContact CZ-CH2 4.42Å; F89-W396 AromaticContact CZ-CZ3 3.99Å; F89-W396 HydrophobicContact CZ-CZ3 3.99Å; F89-L398 HydrophobicContact CD1-CD2 4.3Å; F89-L398 HydrophobicContact CD2-CD2 3.88Å; F89-L398 HydrophobicContact CE1-CB 4.08Å; F89-L398 HydrophobicContact CE1-CD2 4.42Å; F89-L398 HydrophobicContact CE2-CB 4.43Å; F89-L398 HydrophobicContact CE2-CD2 4.02Å; F89-L398 HydrophobicContact CG-CD2 4.06Å; F89-L398 HydrophobicContact CZ-CB 3.98Å; F89-L398 HydrophobicContact CZ-CD2 4.31Å; F89-I464 HydrophobicContact CE2-CG2 4.23Å
90	V	97.9	Very high	96.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-41.9	-173.6	169.1	0	0	0	0	111	P79 A83 L92 S93 Q94 S95 W96 E400	P79-V90 HydrophobicContact CB-CG2 4.15Å; A83-V90 HydrophobicContact CB-CG2 4.45Å; V90-L92 VanDerWaalsContact C-N 3.28Å; V90-L92 PolarHBondContact O-N 2.7Å; V90-S93 PolarHBondContact O-N 3.01Å; V90-S93 PolarHBondContact O-OG 2.89Å; V90-Q94 VanDerWaalsContact O-CA 3.27Å; V90-Q94 WeakPolarHBondContact O-CA 3.27Å; V90-Q94 PolarHBondContact O-N 2.99Å; V90-S95 VanDerWaalsContact CG1-O 3.23Å; V90-S95 WeakPolarHBondContact CG1-O 3.44Å; V90-S95 PolarHBondContact O-N 3.28Å; V90-W96 HydrophobicContact CG1-CE3 4.05Å; V90-W96 HydrophobicContact CG1-CZ3 4.32Å; V90-E400 HydrophobicContact CB-CB 4.11Å; V90-E400 PolarHBondContact N-OE1 3.24Å; V90-E400 VanDerWaalsContact N-OE1 3.14Å
91	H	97.7	Very high	96.3	Very high	30 Å²	30	19.6 Å²	19.6	14%	0.139	9%	0.094	C	C	.	.	H	α-helix	trans	-66.2	-26.3	178	65.6	-84.5	0	0	0	114.7	F89 W96 E400 V465 V470	F89-H91 VanDerWaalsContact C-N 3.31Å; F89-H91 VanDerWaalsContact CB-CE1 3.5Å; F89-H91 WeakPolarHBondContact CB-CE1 3.47Å; F89-H91 AromaticContact CD2-CE1 3.91Å; F89-H91 PolarHBondContact O-N 3.03Å; H91-W96 HydrophobicContact CB-CH2 4.28Å; H91-W96 HydrophobicContact CB-CZ3 4.21Å; H91-E400 WeakPolarHBondContact CB-OE2 3.2Å; H91-E400 IonicContact CE1-OE1 3.74Å; H91-E400 IonicContact CG-OE1 3.7Å; H91-E400 IonicContact CG-OE2 3.58Å; H91-E400 PolarHBondContact N-OE1 3.39Å; H91-E400 IonicContact ND1-OE1 3.91Å; H91-E400 PolarHBondContact ND1-OE1 2.64Å; H91-E400 IonicContact ND1-OE2 3.68Å; H91-E400 PolarHBondContact ND1-OE2 3.01Å; H91-V465 HydrophobicContact CB-CG2 4.31Å; H91-V470 HydrophobicContact CB-CG1 3.98Å; H91-V470 HydrophobicContact CB-CG2 3.65Å
92	L	96.8	Very high	96.3	Very high	66 Å²	66	19.9 Å²	19.9	35%	0.346	10%	0.095	S	C	.	.	H	α-helix	trans	-80.9	-43.8	178.2	-62.9	-179.1	0	0	0	111.5	Q88 F89 V90 Q94 S374	Q88-L92 HydrophobicContact CB-CB 4.14Å; F89-L92 PolarHBondContact O-N 2.78Å; F89-L92 VanDerWaalsContact O-N 3.1Å; V90-L92 VanDerWaalsContact C-N 3.28Å; V90-L92 PolarHBondContact O-N 2.7Å; L92-Q94 VanDerWaalsContact C-N 3.26Å; L92-S374 WeakPolarHBondContact CD1-OG 3.35Å
93	S	95.1	Very high	96	Very high	17 Å²	17	23.9 Å²	23.9	12%	0.119	12%	0.117	C	C	.	.	H	α-helix	trans	-79.4	-10.8	176.7	63.4	0	0	0	0	113.3	F89 V90 S95	F89-S93 PolarHBondContact O-N 3.49Å; F89-S93 PolarHBondContact O-OG 3.32Å; V90-S93 PolarHBondContact O-N 3.01Å; V90-S93 PolarHBondContact O-OG 2.89Å; S93-S95 PolarHBondContact O-N 3.35Å; S93-S95 WeakPolarHBondContact OG-CB 3.46Å; S93-S95 PolarHBondContact OG-OG 3.33Å
94	Q	96.5	Very high	95.6	Very high	106 Å²	106	29 Å²	29	50%	0.495	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	33.1	-173.7	-54.5	-172.8	3.4	0	0	113	V90 L92 W96 K100	V90-Q94 VanDerWaalsContact O-CA 3.27Å; V90-Q94 WeakPolarHBondContact O-CA 3.27Å; V90-Q94 PolarHBondContact O-N 2.99Å; L92-Q94 VanDerWaalsContact C-N 3.26Å; Q94-W96 HydrophobicContact CB-CD2 4.44Å; Q94-W96 HydrophobicContact CB-CH2 4.29Å; Q94-W96 HydrophobicContact CB-CZ2 3.52Å; Q94-W96 HydrophobicContact CG-CH2 4.19Å; Q94-W96 HydrophobicContact CG-CZ2 3.56Å; Q94-W96 PolarHBondContact O-N 2.63Å; Q94-W96 PolarHBondContact O-NE1 2.9Å; Q94-K100 WeakPolarHBondContact O-CG 3.31Å
95	S	96.9	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.			trans	-83.3	65.3	-179.2	-61.2	0	0	0	0	110.8	P79 A82 V90 S93 N97 K100 C101	P79-S95 VanDerWaalsContact CB-O 3.23Å; P79-S95 WeakPolarHBondContact CB-O 3.33Å; P79-S95 VanDerWaalsContact CG-O 3.24Å; P79-S95 WeakPolarHBondContact CG-O 3.4Å; A82-S95 VanDerWaalsContact CB-OG 3.29Å; A82-S95 WeakPolarHBondContact CB-OG 3.43Å; V90-S95 VanDerWaalsContact CG1-O 3.23Å; V90-S95 WeakPolarHBondContact CG1-O 3.44Å; V90-S95 PolarHBondContact O-N 3.28Å; S93-S95 PolarHBondContact O-N 3.35Å; S93-S95 WeakPolarHBondContact OG-CB 3.46Å; S93-S95 PolarHBondContact OG-OG 3.33Å; S95-N97 PolarHBondContact O-N 2.96Å; S95-K100 CarbonylContact C-O 3.29Å; S95-K100 VanDerWaalsContact CA-O 3.23Å; S95-K100 WeakPolarHBondContact CA-O 3.22Å; S95-C101 WeakPolarHBondContact OG-CA 3.46Å
96	W	96.4	Very high	94.9	Very high	10 Å²	10	37.4 Å²	37.4	4%	0.038	21%	0.207	C	C	.	.			trans	-65.3	-39.4	-164.1	-53.9	131	0	0	0	115.2	V90 H91 Q94 K100 H402 V470 V474 Y477	V90-W96 HydrophobicContact CG1-CE3 4.05Å; V90-W96 HydrophobicContact CG1-CZ3 4.32Å; H91-W96 HydrophobicContact CB-CH2 4.28Å; H91-W96 HydrophobicContact CB-CZ3 4.21Å; Q94-W96 HydrophobicContact CB-CD2 4.44Å; Q94-W96 HydrophobicContact CB-CH2 4.29Å; Q94-W96 HydrophobicContact CB-CZ2 3.52Å; Q94-W96 HydrophobicContact CG-CH2 4.19Å; Q94-W96 HydrophobicContact CG-CZ2 3.56Å; Q94-W96 PolarHBondContact O-N 2.63Å; Q94-W96 PolarHBondContact O-NE1 2.9Å; W96-K100 PolarHBondContact N-O 3.12Å; W96-H402 HydrophobicContact CB-CB 4.4Å; W96-H402 AromaticContact CE3-CD2 3.66Å; W96-H402 WeakPolarHBondContact O-CB 3.17Å; W96-V470 HydrophobicContact CH2-CG1 3.97Å; W96-V470 HydrophobicContact CZ3-CG1 3.7Å; W96-V474 HydrophobicContact CD2-CG2 3.75Å; W96-V474 HydrophobicContact CE3-CG2 3.59Å; W96-V474 HydrophobicContact CG-CG2 4.23Å; W96-V474 HydrophobicContact CH2-CG2 4.44Å; W96-V474 HydrophobicContact CZ3-CG2 3.96Å; W96-Y477 AromaticContact CD1-CD1 3.73Å; W96-Y477 AromaticContact CD1-CG 3.77Å; W96-Y477 HydrophobicContact CG-CD1 4.43Å
97	N	95.2	Very high	94.8	Very high	2 Å²	2	40 Å²	40	1%	0.011	22%	0.222	C	C	.	.	S	Bend	trans	-151.7	-176.3	-171.6	63.4	45.8	0	0	0	110.5	S95 Y99 K100 C101 A141	S95-N97 PolarHBondContact O-N 2.96Å; N97-Y99 PolarHBondContact O-N 3.2Å; N97-Y99 VanDerWaalsContact O-N 3.11Å; N97-Y99 WeakPolarHBondContact OD1-CA 3.44Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.5Å; N97-Y99 PolarHBondContact OD1-N 2.8Å; N97-K100 PolarHBondContact N-O 3.37Å; N97-K100 CarbonylContact O-C 3.16Å; N97-K100 PolarHBondContact O-N 3.21Å; N97-K100 PolarHBondContact OD1-N 2.86Å; N97-C101 PolarHBondContact O-SG 2.88Å; N97-A141 HydrophobicContact CB-CB 4.09Å
98	N	93.3	Very high	94.7	Very high	9 Å²	9	40 Å²	40	5%	0.048	22%	0.223	C	C	.	.	S	Bend	trans	-63.2	-19.5	-177.4	-90.5	-11.9	0	0	0	114.3	I76 C78 H133	I76-N98 HydrophobicContact CD1-CB 4.42Å; I76-N98 WeakPolarHBondContact CD1-ND2 3.33Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.38Å; C78-N98 WeakPolarHBondContact CB-OD1 3.48Å; C78-N98 PolarHBondContact N-OD1 3.35Å; C78-N98 VanDerWaalsContact N-OD1 3.09Å; N98-H133 HydrophobicContact CB-CB 4.47Å; N98-H133 PolarHBondContact O-CD2 2.79Å; N98-H133 PolarHBondContact O-NE2 3.04Å
99	Y	93.9	Very high	94.6	Very high	55 Å²	55	37.5 Å²	37.5	22%	0.216	21%	0.211	C	C	.	.	S	Bend	trans	-93.1	-40.4	178.7	-177.6	-106.6	0	0	0	113.7	N97 S130 G131 S132 R138 W142	N97-Y99 PolarHBondContact O-N 3.2Å; N97-Y99 VanDerWaalsContact O-N 3.11Å; N97-Y99 WeakPolarHBondContact OD1-CA 3.44Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.5Å; N97-Y99 PolarHBondContact OD1-N 2.8Å; Y99-S130 CarbonylContact O-C 3.25Å; Y99-S130 WeakPolarHBondContact O-CA 3.28Å; Y99-G131 PolarHBondContact O-N 2.73Å; Y99-S132 WeakPolarHBondContact CD2-O 3.42Å; Y99-R138 HydrophobicContact CD1-CG 4.3Å; Y99-R138 VanDerWaalsContact CD2-CD 3.41Å; Y99-R138 HydrophobicContact CD2-CG 3.66Å; Y99-R138 HydrophobicContact CE2-CG 4.4Å; Y99-R138 HydrophobicContact CG-CG 3.61Å; Y99-R138 VanDerWaalsContact CZ-NH2 3.33Å; Y99-R138 PolarHBondContact OH-NH2 2.78Å; Y99-W142 HydrophobicContact CD1-CZ2 4.1Å; Y99-W142 HydrophobicContact CE1-CZ2 4.31Å
100	K	95.1	Very high	94.5	Very high	34 Å²	34	37.2 Å²	37.2	15%	0.148	21%	0.21	C	C	.	.	S	Bend	trans	-101.4	107.4	176.5	174.9	64.2	-173.4	124.8	0	110.3	Q94 S95 W96 N97 D103 Y477	Q94-K100 WeakPolarHBondContact O-CG 3.31Å; S95-K100 CarbonylContact C-O 3.29Å; S95-K100 VanDerWaalsContact CA-O 3.23Å; S95-K100 WeakPolarHBondContact CA-O 3.22Å; W96-K100 PolarHBondContact N-O 3.12Å; N97-K100 PolarHBondContact N-O 3.37Å; N97-K100 CarbonylContact O-C 3.16Å; N97-K100 PolarHBondContact O-N 3.21Å; N97-K100 PolarHBondContact OD1-N 2.86Å; K100-D103 IonicContact NZ-OD1 2.97Å; K100-D103 PolarHBondContact NZ-OD1 2.82Å; K100-D103 IonicContact NZ-OD2 3.13Å; K100-Y477 HydrophobicContact CB-CE1 4.32Å; K100-Y477 HydrophobicContact CB-CE2 4.06Å; K100-Y477 WeakPolarHBondContact CB-OH 3.36Å; K100-Y477 HydrophobicContact CG-CE2 4Å
101	C	95.6	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.			trans	-131.8	-145.2	176.7	-60	0	0	0	0	110	C78 A82 S95 N97 Y128 S130	C78-C101 VanDerWaalsContact C-SG 3.52Å; C78-C101 HydrophobicContact CB-CB 4.47Å; C78-C101 WeakPolarHBondContact CB-SG 3.41Å; C78-C101 WeakPolarHBondContact SG-CB 3.24Å; C78-C101 CovalentContact SG-SG 2.03Å; C78-C101 PolarHBondContact SG-SG 3.34Å; A82-C101 HydrophobicContact CB-CB 4.09Å; S95-C101 WeakPolarHBondContact OG-CA 3.46Å; N97-C101 PolarHBondContact O-SG 2.88Å; C101-Y128 WeakPolarHBondContact CB-O 3.3Å; C101-S130 VanDerWaalsContact C-OG 3.28Å; C101-S130 PolarHBondContact N-OG 3.35Å; C101-S130 PolarHBondContact O-OG 3.33Å
102	L	96.2	Very high	94.3	Very high	6 Å²	6	40 Å²	40	3%	0.031	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-61.7	140.3	174.9	-61.7	-176	0	0	0	111	A82 W85 T108 Y128 T129 S130	A82-L102 HydrophobicContact CB-CD1 4.46Å; A82-L102 HydrophobicContact CB-CD2 4.24Å; A82-L102 HydrophobicContact CB-CG 3.79Å; W85-L102 HydrophobicContact CB-CD1 4.43Å; L102-T108 HydrophobicContact CD1-CG2 4.46Å; L102-Y128 VanDerWaalsContact CB-O 3.31Å; L102-Y128 WeakPolarHBondContact CB-O 3.24Å; L102-Y128 HydrophobicContact CD1-CD2 4.02Å; L102-Y128 PolarHBondContact N-O 3.48Å; L102-Y128 VanDerWaalsContact N-O 3.09Å; L102-T129 CarbonylContact O-C 3.56Å; L102-T129 VanDerWaalsContact O-CA 3.28Å; L102-T129 WeakPolarHBondContact O-CA 3.39Å; L102-S130 PolarHBondContact O-N 2.93Å; L102-S130 PolarHBondContact O-OG 3.07Å
103	D	93.3	Very high	94.3	Very high	83 Å²	83	36.9 Å²	36.9	44%	0.444	21%	0.209	S	C	.	.			trans	-73	154.3	172.5	-59.2	-33.7	0	0	0	109.6	K100 N105 S106	K100-D103 IonicContact NZ-OD1 2.97Å; K100-D103 PolarHBondContact NZ-OD1 2.82Å; K100-D103 IonicContact NZ-OD2 3.13Å; D103-N105 PolarHBondContact O-N 3.43Å; D103-S106 PolarHBondContact N-OG 2.88Å; D103-S106 VanDerWaalsContact N-OG 3.15Å; D103-S106 VanDerWaalsContact O-CB 3.27Å; D103-S106 WeakPolarHBondContact O-CB 3.5Å; D103-S106 PolarHBondContact O-N 2.84Å; D103-S106 PolarHBondContact O-OG 2.65Å
104	A	87.9	Confident	94.4	Very high	107 Å²	107	41.6 Å²	41.6	88%	0.884	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.9	-170.7	0	0	0	0	0	114.6
105	N	87.9	Confident	94.4	Very high	138 Å²	138	45.1 Å²	45.1	74%	0.738	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	5.5	178.5	63.7	-16.9	0	0	0	113.9	D103 T107	D103-N105 PolarHBondContact O-N 3.43Å; N105-T107 PolarHBondContact O-N 3.41Å
106	S	92	Very high	94.3	Very high	39 Å²	39	50.6 Å²	50.6	27%	0.273	26%	0.262	S	S	.	.			trans	-64.3	131.4	179	-56.9	0	0	0	0	110.4	D103	D103-S106 PolarHBondContact N-OG 2.88Å; D103-S106 VanDerWaalsContact N-OG 3.15Å; D103-S106 VanDerWaalsContact O-CB 3.27Å; D103-S106 WeakPolarHBondContact O-CB 3.5Å; D103-S106 PolarHBondContact O-N 2.84Å; D103-S106 PolarHBondContact O-OG 2.65Å
107	T	92.4	Very high	94.3	Very high	67 Å²	67	51.6 Å²	51.6	41%	0.411	28%	0.275	S	S	.	.			trans	-78.1	129.4	175.1	-63.2	0	0	0	0	109.7	N105 D111 L112	N105-T107 PolarHBondContact O-N 3.41Å; T107-D111 HydrophobicContact CG2-CB 4.24Å; T107-L112 HydrophobicContact CG2-CD2 3.84Å; T107-L112 HydrophobicContact CG2-CG 3.96Å
108	T	93.9	Very high	94.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	28%	0.276	C	S	.	.			trans	-112.7	170.7	177.9	71	0	0	0	0	111.5	W85 L102 M110 D111 L112 Y128	W85-T108 HydrophobicContact CB-CG2 4.31Å; W85-T108 HydrophobicContact CE3-CG2 3.98Å; L102-T108 HydrophobicContact CD1-CG2 4.46Å; T108-M110 PolarHBondContact O-N 3.35Å; T108-M110 PolarHBondContact OG1-N 3.29Å; T108-D111 WeakPolarHBondContact CB-OD2 3.45Å; T108-D111 PolarHBondContact N-OD2 2.88Å; T108-D111 PolarHBondContact O-N 3.42Å; T108-D111 PolarHBondContact OG1-OD2 3.01Å; T108-L112 WeakPolarHBondContact O-CG 3.42Å; T108-L112 PolarHBondContact O-N 3.23Å; T108-Y128 HydrophobicContact CG2-CE2 4Å
109	W	94.5	Very high	94.5	Very high	4 Å²	4	57 Å²	57	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-58.2	-28.6	172.9	64.1	60.6	0	0	0	112.8	M33 M84 W85 L112 L113 L357 H358 V361 L362	M33-W109 HydrophobicContact CE-CH2 3.88Å; M33-W109 HydrophobicContact CE-CZ2 3.85Å; M33-W109 HydrophobicContact SD-CH2 4.15Å; M33-W109 HydrophobicContact SD-CZ2 3.84Å; M84-W109 VanDerWaalsContact C-CZ3 3.48Å; M84-W109 HydrophobicContact CB-CH2 4.47Å; M84-W109 HydrophobicContact CE-CH2 3.48Å; M84-W109 VanDerWaalsContact CE-CH2 3.48Å; M84-W109 HydrophobicContact CE-CZ2 3.83Å; M84-W109 HydrophobicContact CG-CH2 3.45Å; M84-W109 VanDerWaalsContact CG-CH2 3.45Å; M84-W109 HydrophobicContact CG-CZ3 3.69Å; M84-W109 VanDerWaalsContact O-CE3 3.27Å; M84-W109 WeakPolarHBondContact O-CZ3 3.39Å; M84-W109 HydrophobicContact SD-CH2 3.71Å; W85-W109 HydrophobicContact CD2-CZ2 4.26Å; W85-W109 HydrophobicContact CG-CZ2 4.4Å; W85-W109 PolarHBondContact O-N 3.23Å; W109-L112 PolarHBondContact O-N 3.18Å; W109-L113 WeakPolarHBondContact O-CB 3.26Å; W109-L113 WeakPolarHBondContact O-CG 3.41Å; W109-L113 PolarHBondContact O-N 3.44Å; W109-L357 HydrophobicContact CH2-CB 4.2Å; W109-L357 HydrophobicContact CZ3-CB 4.04Å; W109-H358 VanDerWaalsContact CE3-CA 3.5Å; W109-H358 HydrophobicContact CE3-CB 3.77Å; W109-H358 AromaticContact CE3-ND1 3.77Å; W109-H358 HydrophobicContact CZ3-CB 4.13Å; W109-V361 HydrophobicContact CB-CG1 4.32Å; W109-V361 HydrophobicContact CG-CG1 4.25Å; W109-L362 HydrophobicContact CB-CD2 4.21Å
110	M	95.9	Very high	94.7	Very high	7 Å²	7	55.9 Å²	55.9	3%	0.034	29%	0.294	C	S	.	.	H	α-helix	trans	-70.4	-39.4	-178.7	-72.2	-60.2	-82.9	0	0	110.6	W85 T108 L112 L113 E114 T120 M122 A196	W85-M110 HydrophobicContact CE3-CG 4.26Å; W85-M110 HydrophobicContact CH2-CG 3.72Å; W85-M110 HydrophobicContact CZ3-CB 4Å; W85-M110 HydrophobicContact CZ3-CG 3.3Å; T108-M110 PolarHBondContact O-N 3.35Å; T108-M110 PolarHBondContact OG1-N 3.29Å; M110-L112 VanDerWaalsContact C-N 3.31Å; M110-L112 PolarHBondContact O-N 2.9Å; M110-L113 PolarHBondContact O-N 2.8Å; M110-L113 HydrophobicContact SD-CD1 4.09Å; M110-E114 PolarHBondContact O-N 2.72Å; M110-T120 HydrophobicContact CE-CG2 4Å; M110-M122 HydrophobicContact CB-SD 4.4Å; M110-M122 HydrophobicContact CE-CG 3.65Å; M110-M122 HydrophobicContact CE-SD 4.44Å; M110-M122 HydrophobicContact CG-CG 4.37Å; M110-M122 HydrophobicContact CG-SD 4.04Å; M110-A196 HydrophobicContact CE-CB 4.3Å; M110-A196 HydrophobicContact SD-CB 4.24Å
111	D	95.6	Very high	94.8	Very high	53 Å²	53	57.9 Å²	57.9	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-63.6	-40.1	175	-53.2	-63.5	0	0	0	110.9	T107 T108 E114 R115	T107-D111 HydrophobicContact CG2-CB 4.24Å; T108-D111 WeakPolarHBondContact CB-OD2 3.45Å; T108-D111 PolarHBondContact N-OD2 2.88Å; T108-D111 PolarHBondContact O-N 3.42Å; T108-D111 PolarHBondContact OG1-OD2 3.01Å; D111-E114 PolarHBondContact O-N 3.35Å; D111-R115 VanDerWaalsContact O-CG 3.28Å; D111-R115 WeakPolarHBondContact O-CG 3.39Å; D111-R115 PolarHBondContact O-N 2.95Å
112	L	96.3	Very high	94.9	Very high	36 Å²	36	61.2 Å²	61.2	19%	0.188	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-40.6	177.6	-63.3	176.2	0	0	0	112	T107 T108 W109 M110 R115 K116 L362	T107-L112 HydrophobicContact CG2-CD2 3.84Å; T107-L112 HydrophobicContact CG2-CG 3.96Å; T108-L112 WeakPolarHBondContact O-CG 3.42Å; T108-L112 PolarHBondContact O-N 3.23Å; W109-L112 PolarHBondContact O-N 3.18Å; M110-L112 VanDerWaalsContact C-N 3.31Å; M110-L112 PolarHBondContact O-N 2.9Å; L112-R115 PolarHBondContact O-N 3.37Å; L112-K116 PolarHBondContact O-N 3.32Å; L112-L362 HydrophobicContact CB-CD2 3.75Å; L112-L362 HydrophobicContact CD1-CD1 3.73Å; L112-L362 HydrophobicContact CD1-CD2 3.83Å; L112-L362 HydrophobicContact CD1-CG 4.42Å; L112-L362 HydrophobicContact CG-CD2 4.45Å
113	L	96.8	Very high	95.1	Very high	1 Å²	1	62 Å²	62	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-45.1	174	-71.4	170.6	0	0	0	111.4	I31 W109 M110 R115 K116 G117 Y118 T120 A196 V361 A365 I367	I31-L113 HydrophobicContact CD1-CD1 4.44Å; I31-L113 HydrophobicContact CD1-CD2 4.01Å; W109-L113 WeakPolarHBondContact O-CB 3.26Å; W109-L113 WeakPolarHBondContact O-CG 3.41Å; W109-L113 PolarHBondContact O-N 3.44Å; M110-L113 PolarHBondContact O-N 2.8Å; M110-L113 HydrophobicContact SD-CD1 4.09Å; L113-R115 PolarHBondContact O-N 3.14Å; L113-K116 WeakPolarHBondContact O-CB 3.48Å; L113-K116 PolarHBondContact O-N 2.91Å; L113-K116 VanDerWaalsContact O-N 3.13Å; L113-G117 PolarHBondContact O-N 3.03Å; L113-Y118 HydrophobicContact CB-CG 4.23Å; L113-Y118 HydrophobicContact CD2-CD1 4.34Å; L113-Y118 HydrophobicContact CD2-CD2 4.1Å; L113-Y118 HydrophobicContact CD2-CE1 4.45Å; L113-Y118 HydrophobicContact CD2-CE2 4.22Å; L113-Y118 HydrophobicContact CD2-CG 4.18Å; L113-Y118 WeakPolarHBondContact O-CB 3.47Å; L113-Y118 PolarHBondContact O-N 2.96Å; L113-T120 HydrophobicContact CB-CG2 4.23Å; L113-A196 HydrophobicContact CD1-CB 3.68Å; L113-V361 HydrophobicContact CD1-CG1 3.72Å; L113-V361 HydrophobicContact CD2-CG1 4.46Å; L113-V361 HydrophobicContact CG-CG1 4.41Å; L113-A365 HydrophobicContact CD2-CB 3.33Å; L113-I367 HydrophobicContact CD2-CD1 4.05Å
114	E	96.5	Very high	95.3	Very high	116 Å²	116	59.4 Å²	59.4	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-45.1	177.1	-174.7	166.6	-145.7	0	0	111.5	M110 D111 K116 G117 T120	M110-E114 PolarHBondContact O-N 2.72Å; D111-E114 PolarHBondContact O-N 3.35Å; E114-K116 VanDerWaalsContact C-N 3.26Å; E114-K116 PolarHBondContact O-N 3.36Å; E114-G117 WeakPolarHBondContact O-CA 3.49Å; E114-G117 PolarHBondContact O-N 3.48Å; E114-T120 HydrophobicContact CB-CG2 3.9Å
115	R	96.3	Very high	95.7	Very high	179 Å²	179	55.6 Å²	55.6	68%	0.675	28%	0.28	S	S	*	.	H	α-helix	trans	-60.3	-33.1	174.6	-70.9	174.1	-163.5	174	8.5	112.9	D111 L112 L113 G117	D111-R115 VanDerWaalsContact O-CG 3.28Å; D111-R115 WeakPolarHBondContact O-CG 3.39Å; D111-R115 PolarHBondContact O-N 2.95Å; L112-R115 PolarHBondContact O-N 3.37Å; L113-R115 PolarHBondContact O-N 3.14Å; R115-G117 PolarHBondContact O-N 3.03Å
116	K	95.4	Very high	96	Very high	115 Å²	115	51.5 Å²	51.5	50%	0.5	26%	0.257	S	S	.	.	H	α-helix	trans	-73.1	-13.1	174.2	-174.2	61.2	173.6	-168.2	0	112.9	L112 L113 E114 Y118 I367	L112-K116 PolarHBondContact O-N 3.32Å; L113-K116 WeakPolarHBondContact O-CB 3.48Å; L113-K116 PolarHBondContact O-N 2.91Å; L113-K116 VanDerWaalsContact O-N 3.13Å; E114-K116 VanDerWaalsContact C-N 3.26Å; E114-K116 PolarHBondContact O-N 3.36Å; K116-Y118 HydrophobicContact CB-CD2 4.5Å; K116-Y118 HydrophobicContact CG-CD2 4.45Å; K116-I367 HydrophobicContact CB-CD1 3.64Å; K116-I367 HydrophobicContact CB-CG1 4.03Å; K116-I367 HydrophobicContact CD-CG1 4.09Å; K116-I367 HydrophobicContact CG-CD1 3.93Å; K116-I367 HydrophobicContact CG-CG1 3.81Å
117	G	95.6	Very high	96.1	Very high	32 Å²	32	51.6 Å²	51.6	33%	0.33	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.5	9.8	177.9	0	0	0	0	0	114.6	L113 E114 R115	L113-G117 PolarHBondContact O-N 3.03Å; E114-G117 WeakPolarHBondContact O-CA 3.49Å; E114-G117 PolarHBondContact O-N 3.48Å; R115-G117 PolarHBondContact O-N 3.03Å
118	Y	97.3	Very high	96.2	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.027	24%	0.241	C	C	.	.			trans	-66.7	142.6	170.5	-83	-115.5	0	0	0	110.4	S28 P29 I31 L113 K116 T120 P194 A196 A365	S28-Y118 WeakPolarHBondContact CB-OH 3.43Å; P29-Y118 VanDerWaalsContact O-CE1 3.32Å; P29-Y118 WeakPolarHBondContact O-CE1 2.96Å; P29-Y118 PolarHBondContact O-OH 3.37Å; I31-Y118 HydrophobicContact CD1-CE1 3.95Å; I31-Y118 HydrophobicContact CG1-CE1 4.15Å; L113-Y118 HydrophobicContact CB-CG 4.23Å; L113-Y118 HydrophobicContact CD2-CD1 4.34Å; L113-Y118 HydrophobicContact CD2-CD2 4.1Å; L113-Y118 HydrophobicContact CD2-CE1 4.45Å; L113-Y118 HydrophobicContact CD2-CE2 4.22Å; L113-Y118 HydrophobicContact CD2-CG 4.18Å; L113-Y118 WeakPolarHBondContact O-CB 3.47Å; L113-Y118 PolarHBondContact O-N 2.96Å; K116-Y118 HydrophobicContact CB-CD2 4.5Å; K116-Y118 HydrophobicContact CG-CD2 4.45Å; Y118-T120 PolarHBondContact O-N 3.19Å; Y118-P194 WeakPolarHBondContact CA-O 2.9Å; Y118-P194 HydrophobicContact CD1-CB 4.01Å; Y118-P194 HydrophobicContact CD1-CG 4.26Å; Y118-P194 HydrophobicContact CD2-CB 4.5Å; Y118-P194 HydrophobicContact CD2-CG 3.94Å; Y118-P194 HydrophobicContact CE1-CB 3.7Å; Y118-P194 HydrophobicContact CE1-CG 4.19Å; Y118-P194 HydrophobicContact CE2-CB 4.22Å; Y118-P194 HydrophobicContact CE2-CG 3.85Å; Y118-P194 HydrophobicContact CG-CB 4.38Å; Y118-P194 HydrophobicContact CG-CG 4.13Å; Y118-A196 HydrophobicContact CD1-CB 3.99Å; Y118-A365 HydrophobicContact CE2-CB 3.66Å
119	R	96.6	Very high	96.3	Very high	118 Å²	118	52.3 Å²	52.3	45%	0.445	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110.3	163.7	-168.5	175.6	-170.9	143.3	3.6	109.2	W183 P194 F195 A196	R119-W183 HydrophobicContact CG-CZ2 4.15Å; R119-P194 PolarHBondContact N-O 3.3Å; R119-F195 HydrophobicContact CB-CB 4.16Å; R119-F195 CarbonylContact O-C 3.1Å; R119-F195 WeakPolarHBondContact O-CA 3.23Å; R119-F195 VanDerWaalsContact O-CB 3.32Å; R119-F195 WeakPolarHBondContact O-CB 3.34Å; R119-A196 PolarHBondContact O-N 2.89Å
120	T	97.3	Very high	96.2	Very high	31 Å²	31	53.9 Å²	53.9	19%	0.19	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	144.5	-178.1	56.6	0	0	0	0	111.7	M110 L113 E114 Y118 A196	M110-T120 HydrophobicContact CE-CG2 4Å; L113-T120 HydrophobicContact CB-CG2 4.23Å; E114-T120 HydrophobicContact CB-CG2 3.9Å; Y118-T120 PolarHBondContact O-N 3.19Å; T120-A196 CarbonylContact C-O 3.5Å; T120-A196 WeakPolarHBondContact CA-O 3.4Å; T120-A196 HydrophobicContact CG2-CB 4.36Å
121	K	98.1	Very high	95.8	Very high	76 Å²	76	55.8 Å²	55.8	33%	0.33	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	128.8	170.8	-172.2	64.6	175	176.7	0	109.7	L123 W183 A196 L197 Y198	K121-L123 HydrophobicContact CG-CD1 4.29Å; K121-L123 HydrophobicContact CG-CG 4.24Å; K121-W183 HydrophobicContact CB-CD2 4.13Å; K121-W183 HydrophobicContact CB-CE3 4.32Å; K121-W183 HydrophobicContact CB-CH2 3.81Å; K121-W183 HydrophobicContact CB-CZ2 3.63Å; K121-W183 HydrophobicContact CB-CZ3 4.18Å; K121-W183 HydrophobicContact CG-CD2 3.97Å; K121-W183 HydrophobicContact CG-CE3 4.41Å; K121-W183 HydrophobicContact CG-CG 4.24Å; K121-W183 HydrophobicContact CG-CZ2 4.3Å; K121-A196 PolarHBondContact N-O 3.16Å; K121-L197 HydrophobicContact CB-CD1 3.87Å; K121-L197 HydrophobicContact CG-CD1 3.87Å; K121-L197 CarbonylContact O-C 3.54Å; K121-L197 WeakPolarHBondContact O-CA 3.29Å; K121-Y198 PolarHBondContact O-N 3.19Å
122	M	98.1	Very high	95.2	Very high	70 Å²	70	56.2 Å²	56.2	35%	0.345	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.2	174.7	-67.6	-177.8	-74.8	0	0	108.8	W85 M110 L126 Y198	W85-M122 HydrophobicContact CH2-CG 4.13Å; W85-M122 HydrophobicContact CH2-SD 3.43Å; W85-M122 WeakPolarHBondContact CH2-SD 3.22Å; W85-M122 HydrophobicContact CZ3-SD 3.61Å; M110-M122 HydrophobicContact CB-SD 4.4Å; M110-M122 HydrophobicContact CE-CG 3.65Å; M110-M122 HydrophobicContact CE-SD 4.44Å; M110-M122 HydrophobicContact CG-CG 4.37Å; M110-M122 HydrophobicContact CG-SD 4.04Å; M122-L126 HydrophobicContact CB-CD2 3.98Å; M122-L126 HydrophobicContact CG-CD2 4.35Å; M122-L126 HydrophobicContact SD-CD1 4.38Å; M122-L126 HydrophobicContact SD-CD2 4.13Å; M122-Y198 WeakPolarHBondContact CA-O 3.5Å
123	L	98.4	Very high	94.9	Very high	21 Å²	21	57.7 Å²	57.7	11%	0.11	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147.2	178.8	-70.7	169.2	0	0	0	110.1	K121 K179 A180 L197 Y198 L199 G200	K121-L123 HydrophobicContact CG-CD1 4.29Å; K121-L123 HydrophobicContact CG-CG 4.24Å; L123-K179 HydrophobicContact CD1-CB 4.08Å; L123-K179 HydrophobicContact CD2-CB 4.38Å; L123-A180 VanDerWaalsContact CD1-CA 3.48Å; L123-A180 HydrophobicContact CD1-CB 3.68Å; L123-L197 HydrophobicContact CD1-CD1 4.36Å; L123-Y198 PolarHBondContact N-O 2.89Å; L123-L199 HydrophobicContact CB-CD1 4.05Å; L123-L199 WeakPolarHBondContact O-CA 3.38Å; L123-G200 PolarHBondContact O-N 3.12Å
124	G	97.7	Very high	94.5	Very high	29 Å²	29	60.2 Å²	60.2	30%	0.299	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.2	-143.8	178.4	0	0	0	0	0	114.1	N176 G200	G124-N176 VanDerWaalsContact CA-ND2 3.35Å; G124-N176 WeakPolarHBondContact CA-ND2 3.27Å; G124-G200 CarbonylContact C-O 3.54Å; G124-G200 VanDerWaalsContact CA-O 3.29Å; G124-G200 WeakPolarHBondContact CA-O 3.42Å
125	K	96.4	Very high	94.3	Very high	28 Å²	28	57.6 Å²	57.6	12%	0.122	31%	0.311	C	S	.	.			trans	-80.5	119.2	-170.9	-170.6	172.5	-171.8	170	0	111.8	D37 R81 D127 Y198 G200 N202	D37-K125 WeakPolarHBondContact OD2-CD 3.49Å; D37-K125 VanDerWaalsContact OD2-CE 3.28Å; D37-K125 WeakPolarHBondContact OD2-CE 3.33Å; D37-K125 IonicContact OD2-NZ 3.18Å; D37-K125 PolarHBondContact OD2-NZ 2.89Å; R81-K125 PolarHBondContact NH1-O 3.37Å; K125-D127 WeakPolarHBondContact CE-OD2 3.38Å; K125-D127 HydrophobicContact CG-CB 4.27Å; K125-D127 IonicContact NZ-OD2 3.77Å; K125-D127 PolarHBondContact NZ-OD2 3.08Å; K125-Y198 WeakPolarHBondContact O-CE1 3.39Å; K125-Y198 PolarHBondContact O-OH 3.23Å; K125-G200 PolarHBondContact N-O 2.86Å; K125-G200 WeakPolarHBondContact O-CA 3.33Å; K125-N202 PolarHBondContact NZ-OD1 2.85Å
126	L	95.1	Very high	94	Very high	51 Å²	51	50 Å²	50	27%	0.267	29%	0.285	S	S	.	.			trans	-101	-48.7	177.6	-61.7	179.8	0	0	0	112.2	R81 W85 M122 Y128 Y198	R81-L126 WeakPolarHBondContact CD-O 3.3Å; W85-L126 HydrophobicContact CH2-CD2 4.17Å; W85-L126 HydrophobicContact CZ2-CD2 4.12Å; M122-L126 HydrophobicContact CB-CD2 3.98Å; M122-L126 HydrophobicContact CG-CD2 4.35Å; M122-L126 HydrophobicContact SD-CD1 4.38Å; M122-L126 HydrophobicContact SD-CD2 4.13Å; L126-Y128 VanDerWaalsContact C-N 3.29Å; L126-Y128 HydrophobicContact CB-CD1 3.87Å; L126-Y128 HydrophobicContact CB-CE1 3.81Å; L126-Y128 HydrophobicContact CD1-CE1 4.23Å; L126-Y128 HydrophobicContact CD2-CE1 4.36Å; L126-Y128 HydrophobicContact CG-CE1 4.35Å; L126-Y128 WeakPolarHBondContact O-CD1 3.38Å; L126-Y128 PolarHBondContact O-N 2.85Å; L126-Y198 HydrophobicContact CD2-CD1 3.67Å; L126-Y198 HydrophobicContact CD2-CE1 3.55Å
127	D	93.4	Very high	93.8	Very high	41 Å²	41	45.6 Å²	45.6	22%	0.219	27%	0.267	C	S	.	.			trans	31.9	56.6	177.5	-74.8	30	0	0	0	113.2	C78 R81 K125 H133	C78-D127 WeakPolarHBondContact CA-O 3.26Å; C78-D127 HydrophobicContact CB-CB 4.49Å; C78-D127 WeakPolarHBondContact CB-O 3.4Å; R81-D127 VanDerWaalsContact CB-O 3.25Å; R81-D127 WeakPolarHBondContact CB-O 3.44Å; R81-D127 WeakPolarHBondContact CD-O 3.46Å; K125-D127 WeakPolarHBondContact CE-OD2 3.38Å; K125-D127 HydrophobicContact CG-CB 4.27Å; K125-D127 IonicContact NZ-OD2 3.77Å; K125-D127 PolarHBondContact NZ-OD2 3.08Å; D127-H133 IonicContact OD2-CE1 2.84Å; D127-H133 PolarHBondContact OD2-CE1 3.42Å; D127-H133 IonicContact OD2-NE2 3.62Å
128	Y	94.7	Very high	93.7	Very high	31 Å²	31	46.3 Å²	46.3	12%	0.122	26%	0.26	C	S	.	.			trans	-125.3	-9.8	175	65	-105.5	0	0	0	113.4	W85 C101 L102 T108 L126	W85-Y128 HydrophobicContact CB-CG 4.45Å; W85-Y128 AromaticContact CD2-CD1 3.62Å; W85-Y128 HydrophobicContact CD2-CD1 3.62Å; W85-Y128 AromaticContact CD2-CE1 3.79Å; W85-Y128 HydrophobicContact CD2-CE1 3.79Å; W85-Y128 HydrophobicContact CD2-CG 4.18Å; W85-Y128 AromaticContact CE2-CD1 3.69Å; W85-Y128 AromaticContact CE2-CE1 3.96Å; W85-Y128 AromaticContact CE3-CD1 3.98Å; W85-Y128 HydrophobicContact CE3-CD1 3.98Å; W85-Y128 AromaticContact CE3-CE1 3.64Å; W85-Y128 HydrophobicContact CE3-CE1 3.64Å; W85-Y128 AromaticContact CG-CD1 3.96Å; W85-Y128 HydrophobicContact CG-CD1 3.96Å; W85-Y128 HydrophobicContact CG-CG 4.09Å; W85-Y128 AromaticContact CH2-CE1 3.96Å; W85-Y128 HydrophobicContact CH2-CE1 3.96Å; W85-Y128 HydrophobicContact CZ2-CD1 4.16Å; W85-Y128 HydrophobicContact CZ2-CE1 4.06Å; W85-Y128 HydrophobicContact CZ3-CD1 4.4Å; W85-Y128 AromaticContact CZ3-CE1 3.72Å; W85-Y128 HydrophobicContact CZ3-CE1 3.72Å; W85-Y128 AromaticContact NE1-CD1 3.99Å; C101-Y128 WeakPolarHBondContact CB-O 3.3Å; L102-Y128 VanDerWaalsContact CB-O 3.31Å; L102-Y128 WeakPolarHBondContact CB-O 3.24Å; L102-Y128 HydrophobicContact CD1-CD2 4.02Å; L102-Y128 PolarHBondContact N-O 3.48Å; L102-Y128 VanDerWaalsContact N-O 3.09Å; T108-Y128 HydrophobicContact CG2-CE2 4Å; L126-Y128 VanDerWaalsContact C-N 3.29Å; L126-Y128 HydrophobicContact CB-CD1 3.87Å; L126-Y128 HydrophobicContact CB-CE1 3.81Å; L126-Y128 HydrophobicContact CD1-CE1 4.23Å; L126-Y128 HydrophobicContact CD2-CE1 4.36Å; L126-Y128 HydrophobicContact CG-CE1 4.35Å; L126-Y128 WeakPolarHBondContact O-CD1 3.38Å; L126-Y128 PolarHBondContact O-N 2.85Å
129	T	95.4	Very high	93.6	Very high	52 Å²	52	46 Å²	46	32%	0.319	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-104.3	150.8	-178.2	57.8	0	0	0	0	112.2	L102	L102-T129 CarbonylContact O-C 3.56Å; L102-T129 VanDerWaalsContact O-CA 3.28Å; L102-T129 WeakPolarHBondContact O-CA 3.39Å
130	S	93.9	Very high	93.5	Very high	37 Å²	37	40.3 Å²	40.3	26%	0.259	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	158.2	173.9	-61.5	0	0	0	0	113.5	Y99 C101 L102	Y99-S130 CarbonylContact O-C 3.25Å; Y99-S130 WeakPolarHBondContact O-CA 3.28Å; C101-S130 VanDerWaalsContact C-OG 3.28Å; C101-S130 PolarHBondContact N-OG 3.35Å; C101-S130 PolarHBondContact O-OG 3.33Å; L102-S130 PolarHBondContact O-N 2.93Å; L102-S130 PolarHBondContact O-OG 3.07Å
131	G	87.7	Confident	93.4	Very high	47 Å²	47	39 Å²	39	49%	0.485	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	-4.3	165.4	0	0	0	0	0	116	Y99	Y99-G131 PolarHBondContact O-N 2.73Å
132	S	83	Confident	93.3	Very high	62 Å²	62	35.4 Å²	35.4	43%	0.434	21%	0.214	S	C	.	.			trans	-96.4	173.8	174.1	-64.7	0	0	0	0	111.6	Y99	Y99-S132 WeakPolarHBondContact CD2-O 3.42Å
133	H	88.3	Confident	93.2	Very high	68 Å²	68	32 Å²	32	32%	0.315	20%	0.198	S	C	.	.	S	Bend	trans	87.7	158.8	-179.6	-55	-94.8	0	0	0	117.3	N98 D127 N137	N98-H133 HydrophobicContact CB-CB 4.47Å; N98-H133 PolarHBondContact O-CD2 2.79Å; N98-H133 PolarHBondContact O-NE2 3.04Å; D127-H133 IonicContact OD2-CE1 2.84Å; D127-H133 PolarHBondContact OD2-CE1 3.42Å; D127-H133 IonicContact OD2-NE2 3.62Å; H133-N137 HydrophobicContact CB-CB 4.38Å
134	S	89.3	Confident	92.9	Very high	54 Å²	54	31.1 Å²	31.1	38%	0.378	19%	0.192	S	C	.	.			trans	-70.4	154.5	-173.2	67.5	0	0	0	0	112.8	S136 N137 R138	S134-S136 PolarHBondContact O-N 2.81Å; S134-N137 PolarHBondContact O-N 2.9Å; S134-N137 VanDerWaalsContact O-N 3.13Å; S134-N137 PolarHBondContact OG-N 2.82Å; S134-N137 PolarHBondContact OG-ND2 2.82Å; S134-R138 PolarHBondContact O-N 3.32Å
135	V	91.8	Very high	92.5	Very high	60 Å²	60	31.3 Å²	31.3	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-55.1	-40.5	173.2	177.8	0	0	0	0	111.1	N137 R138 V139 W485 L500	V135-N137 PolarHBondContact O-N 2.81Å; V135-R138 WeakPolarHBondContact O-CB 3.37Å; V135-R138 PolarHBondContact O-N 3.4Å; V135-V139 HydrophobicContact CG1-CG2 3.94Å; V135-V139 WeakPolarHBondContact O-CG2 3.35Å; V135-V139 PolarHBondContact O-N 2.83Å; V135-W485 HydrophobicContact CG1-CZ2 3.75Å; V135-L500 HydrophobicContact CB-CD2 4.5Å; V135-L500 HydrophobicContact CG1-CD2 3.97Å
136	S	91	Very high	92.4	Very high	19 Å²	19	30.3 Å²	30.3	13%	0.133	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-45.7	177.1	-44.1	0	0	0	0	112.4	S134 R138 V139 E140	S134-S136 PolarHBondContact O-N 2.81Å; S136-R138 VanDerWaalsContact C-N 3.28Å; S136-R138 PolarHBondContact O-N 2.68Å; S136-V139 PolarHBondContact O-N 3Å; S136-E140 VanDerWaalsContact CB-OE1 3.28Å; S136-E140 WeakPolarHBondContact CB-OE1 3.46Å; S136-E140 WeakPolarHBondContact O-CB 3.49Å; S136-E140 WeakPolarHBondContact O-CG 3.27Å; S136-E140 PolarHBondContact O-N 2.94Å
137	N	90.6	Very high	92.2	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-41.1	176.4	-91.6	-90.8	0	0	0	112.1	H133 S134 V135 A141 R501	H133-N137 HydrophobicContact CB-CB 4.38Å; S134-N137 PolarHBondContact O-N 2.9Å; S134-N137 VanDerWaalsContact O-N 3.13Å; S134-N137 PolarHBondContact OG-N 2.82Å; S134-N137 PolarHBondContact OG-ND2 2.82Å; V135-N137 PolarHBondContact O-N 2.81Å; N137-A141 WeakPolarHBondContact O-CB 3.17Å; N137-A141 PolarHBondContact O-N 2.98Å; N137-A141 VanDerWaalsContact O-N 3.15Å; N137-R501 PolarHBondContact ND2-NH2 2.81Å
138	R	93.4	Very high	92.2	Very high	47 Å²	47	38.5 Å²	38.5	18%	0.177	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-55.9	178.7	-66.7	171.6	63.2	176.3	5.2	111.1	Y99 S134 V135 S136 E140 A141 W142	Y99-R138 HydrophobicContact CD1-CG 4.3Å; Y99-R138 VanDerWaalsContact CD2-CD 3.41Å; Y99-R138 HydrophobicContact CD2-CG 3.66Å; Y99-R138 HydrophobicContact CE2-CG 4.4Å; Y99-R138 HydrophobicContact CG-CG 3.61Å; Y99-R138 VanDerWaalsContact CZ-NH2 3.33Å; Y99-R138 PolarHBondContact OH-NH2 2.78Å; S134-R138 PolarHBondContact O-N 3.32Å; V135-R138 WeakPolarHBondContact O-CB 3.37Å; V135-R138 PolarHBondContact O-N 3.4Å; S136-R138 VanDerWaalsContact C-N 3.28Å; S136-R138 PolarHBondContact O-N 2.68Å; R138-E140 PolarHBondContact O-N 2.84Å; R138-A141 PolarHBondContact O-N 2.81Å; R138-W142 HydrophobicContact CB-CD2 4.4Å; R138-W142 HydrophobicContact CB-CE3 4.27Å; R138-W142 HydrophobicContact CB-CH2 3.84Å; R138-W142 HydrophobicContact CB-CZ2 3.89Å; R138-W142 HydrophobicContact CB-CZ3 3.98Å; R138-W142 HydrophobicContact CG-CZ2 4.4Å; R138-W142 VanDerWaalsContact NH2-CH2 3.28Å; R138-W142 PolarHBondContact O-N 3.48Å
139	V	95.5	Very high	92.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-43.9	-175.2	174.4	0	0	0	0	110.7	V135 S136 A141 W142 T143 F482 W485 L500 W502	V135-V139 HydrophobicContact CG1-CG2 3.94Å; V135-V139 WeakPolarHBondContact O-CG2 3.35Å; V135-V139 PolarHBondContact O-N 2.83Å; S136-V139 PolarHBondContact O-N 3Å; V139-A141 VanDerWaalsContact C-N 3.3Å; V139-A141 PolarHBondContact O-N 2.89Å; V139-W142 HydrophobicContact CG2-CE3 4.21Å; V139-W142 HydrophobicContact CG2-CZ3 4.16Å; V139-W142 PolarHBondContact O-N 3.19Å; V139-T143 HydrophobicContact CG1-CG2 4.12Å; V139-T143 WeakPolarHBondContact O-CG2 3.09Å; V139-T143 PolarHBondContact O-N 2.78Å; V139-T143 PolarHBondContact O-OG1 2.9Å; V139-F482 HydrophobicContact CG1-CD2 4.33Å; V139-F482 HydrophobicContact CG1-CE2 3.91Å; V139-W485 HydrophobicContact CG1-CH2 4.32Å; V139-W485 HydrophobicContact CG1-CZ3 4.15Å; V139-W485 HydrophobicContact CG2-CD2 3.88Å; V139-W485 HydrophobicContact CG2-CE3 3.81Å; V139-W485 HydrophobicContact CG2-CH2 3.55Å; V139-W485 HydrophobicContact CG2-CZ2 3.61Å; V139-W485 HydrophobicContact CG2-CZ3 3.63Å; V139-L500 HydrophobicContact CB-CD1 3.71Å; V139-L500 HydrophobicContact CG1-CD1 3.49Å; V139-L500 VanDerWaalsContact CG1-CD1 3.49Å; V139-L500 HydrophobicContact CG2-CD1 4.05Å; V139-W502 HydrophobicContact CG1-CH2 3.96Å; V139-W502 HydrophobicContact CG1-CZ2 3.87Å
140	E	94.4	Very high	92	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-36.6	176.3	-69.2	160.1	-156.1	0	0	112.8	S136 R138 R144 Q152 C404 R501 W502	S136-E140 VanDerWaalsContact CB-OE1 3.28Å; S136-E140 WeakPolarHBondContact CB-OE1 3.46Å; S136-E140 WeakPolarHBondContact O-CB 3.49Å; S136-E140 WeakPolarHBondContact O-CG 3.27Å; S136-E140 PolarHBondContact O-N 2.94Å; R138-E140 PolarHBondContact O-N 2.84Å; E140-R144 PolarHBondContact O-N 3.07Å; E140-Q152 HydrophobicContact CB-CG 4.35Å; E140-Q152 HydrophobicContact CG-CB 4.18Å; E140-Q152 HydrophobicContact CG-CG 3.87Å; E140-C404 HydrophobicContact CB-CB 3.76Å; E140-R501 IonicContact OE1-CZ 2.8Å; E140-R501 IonicContact OE1-NE 3.28Å; E140-R501 PolarHBondContact OE1-NE 3.04Å; E140-R501 IonicContact OE1-NH2 2.93Å; E140-R501 PolarHBondContact OE1-NH2 3.45Å; E140-R501 IonicContact OE2-CZ 2.85Å; E140-R501 IonicContact OE2-NE 2.8Å; E140-R501 IonicContact OE2-NH2 3.49Å; E140-R501 PolarHBondContact OE2-NH2 2.92Å; E140-W502 HydrophobicContact CB-CZ3 4.15Å; E140-W502 HydrophobicContact CG-CE3 3.92Å; E140-W502 HydrophobicContact CG-CH2 3.96Å; E140-W502 HydrophobicContact CG-CZ3 3.48Å; E140-W502 VanDerWaalsContact CG-CZ3 3.48Å
141	A	95.3	Very high	92	Very high	3 Å²	3	39.4 Å²	39.4	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-70.1	-41.4	175.6	0	0	0	0	0	111.5	N97 N137 R138 V139 R144 C404 N478	N97-A141 HydrophobicContact CB-CB 4.09Å; N137-A141 WeakPolarHBondContact O-CB 3.17Å; N137-A141 PolarHBondContact O-N 2.98Å; N137-A141 VanDerWaalsContact O-N 3.15Å; R138-A141 PolarHBondContact O-N 2.81Å; V139-A141 VanDerWaalsContact C-N 3.3Å; V139-A141 PolarHBondContact O-N 2.89Å; A141-R144 VanDerWaalsContact O-CD 3.3Å; A141-R144 WeakPolarHBondContact O-CD 3.33Å; A141-R144 VanDerWaalsContact O-CG 3.27Å; A141-R144 WeakPolarHBondContact O-CG 3.43Å; A141-C404 HydrophobicContact CB-CB 4.26Å; A141-N478 PolarHBondContact O-ND2 2.83Å
142	W	96.8	Very high	92.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-72	-37.2	-179.9	-56.4	-38.8	0	0	0	113.2	Y99 R138 V139 R144 Y477 N478 E481 F482 W485 W520	Y99-W142 HydrophobicContact CD1-CZ2 4.1Å; Y99-W142 HydrophobicContact CE1-CZ2 4.31Å; R138-W142 HydrophobicContact CB-CD2 4.4Å; R138-W142 HydrophobicContact CB-CE3 4.27Å; R138-W142 HydrophobicContact CB-CH2 3.84Å; R138-W142 HydrophobicContact CB-CZ2 3.89Å; R138-W142 HydrophobicContact CB-CZ3 3.98Å; R138-W142 HydrophobicContact CG-CZ2 4.4Å; R138-W142 VanDerWaalsContact NH2-CH2 3.28Å; R138-W142 PolarHBondContact O-N 3.48Å; V139-W142 HydrophobicContact CG2-CE3 4.21Å; V139-W142 HydrophobicContact CG2-CZ3 4.16Å; V139-W142 PolarHBondContact O-N 3.19Å; W142-R144 VanDerWaalsContact C-N 3.29Å; W142-R144 PolarHBondContact O-N 3.07Å; W142-Y477 AromaticContact CD1-CE1 3.97Å; W142-Y477 AromaticContact NE1-CE1 3.77Å; W142-Y477 AromaticContact NE1-CZ 3.93Å; W142-Y477 PolarHBondContact NE1-OH 3.31Å; W142-N478 HydrophobicContact CB-CB 4.27Å; W142-N478 WeakPolarHBondContact O-CB 3.37Å; W142-E481 HydrophobicContact CD2-CB 3.97Å; W142-E481 VanDerWaalsContact CE2-CB 3.44Å; W142-E481 HydrophobicContact CG-CB 4.3Å; W142-E481 HydrophobicContact CH2-CB 4.26Å; W142-E481 HydrophobicContact CZ2-CB 3.61Å; W142-E481 HydrophobicContact CZ2-CG 4.35Å; W142-F482 HydrophobicContact CB-CB 3.98Å; W142-F482 HydrophobicContact CB-CD2 4.44Å; W142-F482 HydrophobicContact CE3-CB 4.23Å; W142-F482 HydrophobicContact CE3-CD2 4.27Å; W142-W485 HydrophobicContact CH2-CB 3.97Å; W142-W485 HydrophobicContact CH2-CG 4.35Å; W142-W485 HydrophobicContact CZ3-CB 3.58Å; W142-W485 HydrophobicContact CZ3-CD2 4.2Å; W142-W485 AromaticContact CZ3-CG 3.77Å; W142-W485 HydrophobicContact CZ3-CG 3.77Å; W142-W520 WeakPolarHBondContact O-CH2 3.24Å; W142-W520 WeakPolarHBondContact O-CZ2 3.29Å
143	T	95.4	Very high	92.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-90.9	12.1	-178.3	67	0	0	0	0	113.3	V139 D145 V146 F482 W502	V139-T143 HydrophobicContact CG1-CG2 4.12Å; V139-T143 WeakPolarHBondContact O-CG2 3.09Å; V139-T143 PolarHBondContact O-N 2.78Å; V139-T143 PolarHBondContact O-OG1 2.9Å; T143-D145 PolarHBondContact O-N 2.9Å; T143-D145 VanDerWaalsContact O-N 3.09Å; T143-V146 HydrophobicContact CG2-CG2 4.25Å; T143-V146 WeakPolarHBondContact O-CB 2.9Å; T143-V146 WeakPolarHBondContact O-CG2 3.4Å; T143-V146 PolarHBondContact O-N 2.98Å; T143-F482 HydrophobicContact CG2-CD2 3.36Å; T143-F482 HydrophobicContact CG2-CE2 3.26Å; T143-F482 HydrophobicContact CG2-CG 4.23Å; T143-F482 HydrophobicContact CG2-CZ 4.07Å; T143-W502 WeakPolarHBondContact OG1-CH2 3.37Å
144	R	92.7	Very high	92.5	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-60	-21.9	-177.7	74.6	-176.6	-154.6	129.4	1.1	113.8	E140 A141 W142 G403 A406 A408 S409	E140-R144 PolarHBondContact O-N 3.07Å; A141-R144 VanDerWaalsContact O-CD 3.3Å; A141-R144 WeakPolarHBondContact O-CD 3.33Å; A141-R144 VanDerWaalsContact O-CG 3.27Å; A141-R144 WeakPolarHBondContact O-CG 3.43Å; W142-R144 VanDerWaalsContact C-N 3.29Å; W142-R144 PolarHBondContact O-N 3.07Å; R144-G403 WeakPolarHBondContact CD-O 3.32Å; R144-A406 WeakPolarHBondContact CB-O 3.41Å; R144-A406 WeakPolarHBondContact CD-O 3.43Å; R144-A406 PolarHBondContact NH1-O 3.22Å; R144-A406 VanDerWaalsContact NH1-O 3.16Å; R144-A408 PolarHBondContact NH1-O 3.17Å; R144-S409 VanDerWaalsContact NH2-CA 3.28Å; R144-S409 PolarHBondContact NH2-OG 2.84Å
145	D	88.9	Confident	92.6	Very high	33 Å²	33	30.7 Å²	30.7	18%	0.176	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-97.1	1	179.9	-48.4	-52.6	0	0	0	112.8	T143 H475	T143-D145 PolarHBondContact O-N 2.9Å; T143-D145 VanDerWaalsContact O-N 3.09Å; D145-H475 IonicContact OD1-CE1 2.78Å; D145-H475 PolarHBondContact OD1-CE1 3.03Å; D145-H475 IonicContact OD1-ND1 3.5Å; D145-H475 IonicContact OD2-CE1 3.72Å; D145-H475 PolarHBondContact OD2-CE1 3.1Å; D145-H475 VanDerWaalsContact OD2-CE1 3.3Å; D145-H475 IonicContact OD2-CG 2.75Å; D145-H475 IonicContact OD2-ND1 2.8Å; D145-H475 PolarHBondContact OD2-ND1 3.43Å
146	V	94.1	Very high	92.6	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.042	12%	0.122	C	C	.	.	S	Bend	trans	-75	142.3	175.4	-173.9	0	0	0	0	109.1	T143 F148 A516 I517 W520	T143-V146 HydrophobicContact CG2-CG2 4.25Å; T143-V146 WeakPolarHBondContact O-CB 2.9Å; T143-V146 WeakPolarHBondContact O-CG2 3.4Å; T143-V146 PolarHBondContact O-N 2.98Å; V146-F148 HydrophobicContact CB-CD1 3.83Å; V146-F148 HydrophobicContact CB-CE1 3.55Å; V146-F148 HydrophobicContact CB-CG 4.47Å; V146-F148 HydrophobicContact CB-CZ 3.99Å; V146-F148 HydrophobicContact CG1-CD1 3.25Å; V146-F148 HydrophobicContact CG1-CE1 3.31Å; V146-F148 HydrophobicContact CG1-CG 4.15Å; V146-F148 HydrophobicContact CG1-CZ 4.24Å; V146-F148 HydrophobicContact CG2-CE1 4.11Å; V146-F148 HydrophobicContact CG2-CZ 4.44Å; V146-F148 PolarHBondContact O-N 2.94Å; V146-A516 HydrophobicContact CG1-CB 3.9Å; V146-I517 HydrophobicContact CG1-CG1 4.1Å; V146-I517 HydrophobicContact CG2-CG1 4.39Å; V146-W520 HydrophobicContact CG1-CB 4.33Å; V146-W520 HydrophobicContact CG2-CB 4.08Å; V146-W520 HydrophobicContact CG2-CD2 3.51Å; V146-W520 HydrophobicContact CG2-CE3 3.57Å; V146-W520 HydrophobicContact CG2-CG 3.74Å; V146-W520 HydrophobicContact CG2-CZ3 4.16Å
147	R	91.5	Very high	92.7	Very high	247 Å²	247	29.2 Å²	29.2	93%	0.932	13%	0.128	S	C	*	.	S	Bend	trans	-78	54.2	179.4	-64.1	-173.9	179	-177.1	0.7	112.7
148	F	92.8	Very high	93	Very high	18 Å²	18	30.1 Å²	30.1	8%	0.079	14%	0.136	C	C	.	.			trans	-131	158.1	163.4	59.2	-119.4	0	0	0	109.4	V146 L150 W502 W506 A516 I517	V146-F148 HydrophobicContact CB-CD1 3.83Å; V146-F148 HydrophobicContact CB-CE1 3.55Å; V146-F148 HydrophobicContact CB-CG 4.47Å; V146-F148 HydrophobicContact CB-CZ 3.99Å; V146-F148 HydrophobicContact CG1-CD1 3.25Å; V146-F148 HydrophobicContact CG1-CE1 3.31Å; V146-F148 HydrophobicContact CG1-CG 4.15Å; V146-F148 HydrophobicContact CG1-CZ 4.24Å; V146-F148 HydrophobicContact CG2-CE1 4.11Å; V146-F148 HydrophobicContact CG2-CZ 4.44Å; V146-F148 PolarHBondContact O-N 2.94Å; F148-L150 HydrophobicContact CD2-CB 4.35Å; F148-L150 HydrophobicContact CD2-CD1 3.65Å; F148-L150 HydrophobicContact CD2-CG 3.62Å; F148-L150 HydrophobicContact CE2-CD1 3.75Å; F148-L150 HydrophobicContact CE2-CG 4.12Å; F148-L150 HydrophobicContact CG-CD1 4.23Å; F148-L150 HydrophobicContact CG-CG 4.27Å; F148-L150 HydrophobicContact CZ-CD1 4.38Å; F148-W502 HydrophobicContact CE2-CH2 4.26Å; F148-W502 HydrophobicContact CE2-CZ3 4.09Å; F148-W502 HydrophobicContact CZ-CH2 4.16Å; F148-W502 HydrophobicContact CZ-CZ3 4.45Å; F148-W506 HydrophobicContact CE1-CZ3 4.29Å; F148-W506 HydrophobicContact CZ-CZ3 4.46Å; F148-A516 HydrophobicContact CD1-CB 4.32Å; F148-I517 HydrophobicContact CD1-CG1 4.42Å; F148-I517 HydrophobicContact CE1-CD1 3.96Å; F148-I517 HydrophobicContact CE1-CG1 3.69Å
149	L	93.2	Very high	93.1	Very high	62 Å²	62	31.7 Å²	31.7	33%	0.325	15%	0.145	S	C	.	.			trans	-127.5	101.6	179	-176.6	62.4	0	0	0	109.1	Y252 Y253 F256 T257	L149-Y252 HydrophobicContact CD2-CE1 3.91Å; L149-Y253 HydrophobicContact CD1-CD2 3.48Å; L149-Y253 VanDerWaalsContact CD1-CD2 3.48Å; L149-Y253 HydrophobicContact CD1-CE2 3.64Å; L149-Y253 HydrophobicContact CD1-CG 4.32Å; L149-F256 HydrophobicContact CD1-CB 4.16Å; L149-F256 HydrophobicContact CD1-CD1 3.65Å; L149-F256 HydrophobicContact CD1-CE1 4.32Å; L149-F256 HydrophobicContact CD1-CG 4.05Å; L149-F256 HydrophobicContact CD2-CB 4.19Å; L149-F256 HydrophobicContact CD2-CD1 3.81Å; L149-F256 HydrophobicContact CD2-CD2 3.89Å; L149-F256 HydrophobicContact CD2-CE1 4.11Å; L149-F256 HydrophobicContact CD2-CE2 4.18Å; L149-F256 HydrophobicContact CD2-CG 3.68Å; L149-F256 HydrophobicContact CD2-CZ 4.28Å; L149-F256 HydrophobicContact CG-CB 4.41Å; L149-F256 HydrophobicContact CG-CD1 3.38Å; L149-F256 HydrophobicContact CG-CD2 4.38Å; L149-F256 HydrophobicContact CG-CE1 3.61Å; L149-F256 HydrophobicContact CG-CG 3.8Å; L149-F256 HydrophobicContact CG-CZ 4.19Å; L149-T257 HydrophobicContact CD1-CG2 4.03Å
150	L	93.3	Very high	93.2	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.047	17%	0.17	C	C	.	.			trans	-123.2	143	-175	-58.3	177.4	0	0	0	110.4	F148 Q152 W502 D505 W506	F148-L150 HydrophobicContact CD2-CB 4.35Å; F148-L150 HydrophobicContact CD2-CD1 3.65Å; F148-L150 HydrophobicContact CD2-CG 3.62Å; F148-L150 HydrophobicContact CE2-CD1 3.75Å; F148-L150 HydrophobicContact CE2-CG 4.12Å; F148-L150 HydrophobicContact CG-CD1 4.23Å; F148-L150 HydrophobicContact CG-CG 4.27Å; F148-L150 HydrophobicContact CZ-CD1 4.38Å; L150-Q152 PolarHBondContact O-N 2.87Å; L150-W502 HydrophobicContact CB-CB 3.83Å; L150-W502 HydrophobicContact CB-CD2 4.2Å; L150-W502 HydrophobicContact CB-CE3 3.97Å; L150-W502 HydrophobicContact CB-CG 4.18Å; L150-W502 HydrophobicContact CD1-CB 4.33Å; L150-W502 HydrophobicContact CD1-CD2 3.77Å; L150-W502 HydrophobicContact CD1-CE3 4.06Å; L150-W502 HydrophobicContact CD1-CG 3.89Å; L150-D505 HydrophobicContact CB-CB 4.4Å; L150-D505 HydrophobicContact CD2-CB 3.61Å; L150-W506 HydrophobicContact CD1-CE3 3.51Å; L150-W506 HydrophobicContact CD1-CZ3 4.03Å
151	R	92.4	Very high	93.3	Very high	68 Å²	68	38 Å²	38	26%	0.257	18%	0.18	S	C	.	.			trans	-71	117.1	175.3	-69.6	176.1	-73.3	-178	3.5	110.9	F256 T257 N259 W502 D505	R151-F256 HydrophobicContact CG-CD1 4.17Å; R151-F256 HydrophobicContact CG-CE1 3.84Å; R151-F256 HydrophobicContact CG-CZ 4.48Å; R151-F256 WeakPolarHBondContact CG-O 3.21Å; R151-T257 CarbonylContact C-O 3.55Å; R151-N259 HydrophobicContact CB-CB 4.44Å; R151-N259 VanDerWaalsContact CD-CG 3.5Å; R151-N259 WeakPolarHBondContact CD-OD1 3.36Å; R151-N259 HydrophobicContact CG-CB 4.22Å; R151-N259 PolarHBondContact NH1-OD1 3.32Å; R151-W502 WeakPolarHBondContact O-CA 3.36Å; R151-W502 WeakPolarHBondContact O-CB 3.5Å; R151-D505 VanDerWaalsContact CB-OD2 3.24Å; R151-D505 WeakPolarHBondContact CB-OD2 3.25Å; R151-D505 VanDerWaalsContact CG-OD2 3.28Å; R151-D505 WeakPolarHBondContact CG-OD2 3.28Å; R151-D505 IonicContact CZ-OD1 3.41Å; R151-D505 IonicContact CZ-OD2 2.82Å; R151-D505 PolarHBondContact N-OD2 3.49Å; R151-D505 IonicContact NE-OD1 3.53Å; R151-D505 PolarHBondContact NE-OD1 3.24Å; R151-D505 IonicContact NE-OD2 2.76Å; R151-D505 PolarHBondContact NE-OD2 2.97Å; R151-D505 IonicContact NH2-OD1 3.51Å; R151-D505 PolarHBondContact NH2-OD1 3.08Å; R151-D505 IonicContact NH2-OD2 3.7Å
152	Q	90.8	Very high	93.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.			trans	-91.8	-23.2	-177.9	-62.2	-177.6	-5.9	0	0	112.2	E140 L150 T257 N405 R501 W502	E140-Q152 HydrophobicContact CB-CG 4.35Å; E140-Q152 HydrophobicContact CG-CB 4.18Å; E140-Q152 HydrophobicContact CG-CG 3.87Å; L150-Q152 PolarHBondContact O-N 2.87Å; Q152-T257 HydrophobicContact CG-CG2 4.32Å; Q152-T257 PolarHBondContact N-O 3.38Å; Q152-N405 PolarHBondContact OE1-OD1 3.32Å; Q152-R501 WeakPolarHBondContact O-CB 3.34Å; Q152-R501 PolarHBondContact O-NE 3.36Å; Q152-W502 HydrophobicContact CG-CE3 3.91Å; Q152-W502 HydrophobicContact CG-CZ3 4.18Å
153	E	90.8	Very high	93.3	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.042	23%	0.228	C	C	.	.	S	Bend	trans	-120	152.3	175	-55.4	-66.1	157.8	0	0	111.1	T257 N259 F321 R501	E153-T257 PolarHBondContact N-O 3.23Å; E153-N259 WeakPolarHBondContact O-CB 3.23Å; E153-F321 HydrophobicContact CB-CZ 4.11Å; E153-F321 HydrophobicContact CG-CZ 4.49Å; E153-R501 IonicContact OE1-CZ 3.18Å; E153-R501 IonicContact OE1-NH1 3.94Å; E153-R501 PolarHBondContact OE1-NH1 2.8Å; E153-R501 IonicContact OE1-NH2 3.91Å; E153-R501 PolarHBondContact OE1-NH2 3.47Å; E153-R501 IonicContact OE2-CZ 2.76Å; E153-R501 IonicContact OE2-NH1 3.67Å; E153-R501 PolarHBondContact OE2-NH1 2.85Å
154	G	89.2	Confident	93.4	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.031	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-77.6	165.2	165.9	0	0	0	0	0	112.1	A216 G217	G154-A216 WeakPolarHBondContact CA-O 3.44Å; G154-G217 PolarHBondContact N-O 3.14Å; G154-G217 VanDerWaalsContact N-O 3.14Å
155	R	90.6	Very high	93.6	Very high	36 Å²	36	54 Å²	54	14%	0.136	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-60.6	133	179	-177.3	-178.8	-177.8	81.8	-9.6	109.7	T215 N259 S262 D263 F264 E268	R155-T215 HydrophobicContact CB-CG2 4.41Å; R155-N259 PolarHBondContact N-ND2 2.91Å; R155-S262 PolarHBondContact NH1-OG 3.47Å; R155-D263 PolarHBondContact NH1-O 3Å; R155-D263 PolarHBondContact NH2-O 3.49Å; R155-F264 HydrophobicContact CG-CE1 4.14Å; R155-F264 HydrophobicContact CG-CZ 4.1Å; R155-E268 IonicContact CZ-OE1 3.59Å; R155-E268 IonicContact CZ-OE2 3.99Å; R155-E268 IonicContact NE-OE1 2.87Å; R155-E268 PolarHBondContact NE-OE1 2.98Å; R155-E268 IonicContact NH2-OE1 3.25Å; R155-E268 PolarHBondContact NH2-OE1 3.13Å; R155-E268 IonicContact NH2-OE2 3.96Å; R155-E268 PolarHBondContact NH2-OE2 3.26Å
156	P	92.9	Very high	94.1	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.032	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68	142.6	178.5	31	-36.2	0	0	0	110.3	S219 F221 F264 M316 F321	P156-S219 VanDerWaalsContact CA-O 3.3Å; P156-S219 WeakPolarHBondContact CA-O 3.29Å; P156-F221 HydrophobicContact CB-CE2 4.1Å; P156-F264 HydrophobicContact CG-CE1 3.94Å; P156-F264 HydrophobicContact CG-CZ 4.14Å; P156-M316 HydrophobicContact CG-SD 3.98Å; P156-F321 HydrophobicContact CB-CB 4.31Å; P156-F321 HydrophobicContact CB-CD1 3.65Å; P156-F321 HydrophobicContact CB-CD2 3.98Å; P156-F321 HydrophobicContact CB-CE1 3.9Å; P156-F321 HydrophobicContact CB-CE2 4.27Å; P156-F321 HydrophobicContact CB-CG 3.7Å; P156-F321 HydrophobicContact CB-CZ 4.23Å; P156-F321 HydrophobicContact CG-CB 4.3Å; P156-F321 HydrophobicContact CG-CD1 3.39Å; P156-F321 HydrophobicContact CG-CE1 3.8Å; P156-F321 HydrophobicContact CG-CG 3.84Å
157	V	93.1	Very high	94.2	Very high	42 Å²	42	60.5 Å²	60.5	26%	0.255	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.6	179.5	-64.7	0	0	0	0	111.4	T215 S219 T220 F221	V157-T215 HydrophobicContact CG1-CG2 3.7Å; V157-S219 PolarHBondContact N-O 2.93Å; V157-T220 HydrophobicContact CG2-CG2 4.12Å; V157-T220 WeakPolarHBondContact CG2-OG1 3.31Å; V157-T220 CarbonylContact O-C 3.51Å; V157-T220 VanDerWaalsContact O-CA 3.31Å; V157-T220 WeakPolarHBondContact O-CA 3.39Å; V157-F221 PolarHBondContact O-N 3.3Å
158	S	95.6	Very high	94.5	Very high	43 Å²	43	54.2 Å²	54.2	30%	0.301	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.5	167.7	52.6	0	0	0	0	110.7	F221 S271	S158-F221 CarbonylContact C-O 3.49Å; S158-F221 VanDerWaalsContact CA-O 3.3Å; S158-F221 WeakPolarHBondContact CA-O 3.43Å; S158-S271 WeakPolarHBondContact CB-OG 3.24Å; S158-S271 PolarHBondContact OG-OG 3.46Å
159	Q	96.1	Very high	94.7	Very high	79 Å²	79	54.2 Å²	54.2	37%	0.369	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	115.2	177.4	-173.3	-176	25.4	0	0	111.4	V161 T220 F221 R222 S223 F275	Q159-V161 HydrophobicContact CG-CG1 4.01Å; Q159-T220 HydrophobicContact CB-CG2 3.46Å; Q159-T220 VanDerWaalsContact CB-CG2 3.46Å; Q159-T220 HydrophobicContact CG-CG2 4.5Å; Q159-F221 PolarHBondContact N-O 2.74Å; Q159-R222 HydrophobicContact CB-CG 4.46Å; Q159-R222 WeakPolarHBondContact O-CA 3.34Å; Q159-R222 VanDerWaalsContact OE1-CZ 3.31Å; Q159-R222 VanDerWaalsContact OE1-NH2 3.08Å; Q159-S223 PolarHBondContact O-N 2.85Å; Q159-S223 VanDerWaalsContact O-N 3.13Å; Q159-F275 WeakPolarHBondContact O-CE1 3.38Å
160	L	96.9	Very high	94.9	Very high	99 Å²	99	52 Å²	52	52%	0.518	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.9	170	-167	68.7	0	0	0	110.3	S223 P225 L228 F275	L160-S223 CarbonylContact C-O 3.58Å; L160-S223 WeakPolarHBondContact CA-O 3.19Å; L160-P225 HydrophobicContact CD1-CG 3.97Å; L160-P225 HydrophobicContact CD2-CG 4.25Å; L160-P225 HydrophobicContact CG-CG 4.33Å; L160-L228 HydrophobicContact CD1-CD1 3.46Å; L160-L228 VanDerWaalsContact CD1-CD1 3.46Å; L160-F275 HydrophobicContact CB-CE1 4.38Å; L160-F275 HydrophobicContact CB-CZ 4.09Å; L160-F275 HydrophobicContact CD1-CE1 4.29Å; L160-F275 HydrophobicContact CD1-CZ 4.02Å
161	V	96.6	Very high	95.1	Very high	34 Å²	34	57.3 Å²	57.3	21%	0.206	30%	0.298	C	S	.	.			trans	-132.6	148.5	177.2	-62.7	0	0	0	0	112.1	Q159 I169 R222 S223 S224	Q159-V161 HydrophobicContact CG-CG1 4.01Å; V161-I169 HydrophobicContact CG2-CD1 4.26Å; V161-I169 HydrophobicContact CG2-CG1 4.49Å; V161-I169 HydrophobicContact CG2-CG2 3.79Å; V161-R222 HydrophobicContact CB-CG 4.32Å; V161-R222 HydrophobicContact CG1-CG 3.64Å; V161-R222 HydrophobicContact CG2-CG 3.67Å; V161-S223 PolarHBondContact N-O 3.12Å; V161-S224 VanDerWaalsContact O-CA 3.31Å; V161-S224 WeakPolarHBondContact O-CA 3.2Å; V161-S224 VanDerWaalsContact O-CB 3.23Å; V161-S224 WeakPolarHBondContact O-CB 3.22Å
162	G	95.9	Very high	95.3	Very high	55 Å²	55	61.1 Å²	61.1	57%	0.567	32%	0.317	S	S	*	.	S	Bend	trans	64.1	-148.3	176.9	0	0	0	0	0	113.4	T166	G162-T166 WeakPolarHBondContact CA-OG1 3.49Å
163	N	97.1	Very high	95.7	Very high	89 Å²	89	61.2 Å²	61.2	48%	0.476	32%	0.317	S	S	.	.			trans	-143.2	-166.5	-177.7	64.8	49.7	0	0	0	111.3	S165 T166	N163-S165 PolarHBondContact O-N 3.08Å; N163-S165 VanDerWaalsContact O-N 3.13Å; N163-S165 WeakPolarHBondContact OD1-CB 3.35Å; N163-S165 PolarHBondContact OD1-N 2.99Å; N163-S165 PolarHBondContact OD1-OG 2.85Å; N163-T166 PolarHBondContact N-OG1 2.95Å; N163-T166 WeakPolarHBondContact O-CB 3.35Å; N163-T166 PolarHBondContact O-N 2.78Å; N163-T166 PolarHBondContact O-OG1 3.18Å
164	M	97.5	Very high	96	Very high	107 Å²	107	61.7 Å²	61.7	53%	0.527	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.1	-179.2	-73.1	-60.1	-61.7	0	0	115.2	P225 T229	M164-P225 HydrophobicContact CG-CB 4.21Å; M164-P225 VanDerWaalsContact SD-C 3.56Å; M164-P225 HydrophobicContact SD-CB 3.56Å; M164-P225 VanDerWaalsContact SD-CB 3.56Å; M164-T229 HydrophobicContact CE-CG2 3.78Å; M164-T229 HydrophobicContact SD-CG2 4.17Å
165	S	97.2	Very high	96.5	Very high	89 Å²	89	67 Å²	67	62%	0.622	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-13.8	173.5	76.1	0	0	0	0	113	N163 R167	N163-S165 PolarHBondContact O-N 3.08Å; N163-S165 VanDerWaalsContact O-N 3.13Å; N163-S165 WeakPolarHBondContact OD1-CB 3.35Å; N163-S165 PolarHBondContact OD1-N 2.99Å; N163-S165 PolarHBondContact OD1-OG 2.85Å; S165-R167 PolarHBondContact O-N 3.18Å
166	T	97.7	Very high	96.9	Very high	40 Å²	40	66.3 Å²	66.3	25%	0.245	34%	0.34	C	S	.	.			trans	-77.5	91.6	-179.3	-50.6	0	0	0	0	110.5	G162 N163 I169 S224	G162-T166 WeakPolarHBondContact CA-OG1 3.49Å; N163-T166 PolarHBondContact N-OG1 2.95Å; N163-T166 WeakPolarHBondContact O-CB 3.35Å; N163-T166 PolarHBondContact O-N 2.78Å; N163-T166 PolarHBondContact O-OG1 3.18Å; T166-I169 HydrophobicContact CG2-CG1 4.3Å; T166-S224 VanDerWaalsContact O-CB 3.29Å; T166-S224 WeakPolarHBondContact O-CB 3.38Å; T166-S224 PolarHBondContact O-OG 2.84Å
167	R	97.4	Very high	97.2	Very high	136 Å²	136	66 Å²	66	51%	0.513	34%	0.338	S	S	.	.			trans	-100.2	-17.8	179.2	-56.2	-171.5	-177.8	-171	2.3	114.1	S165 Y226 W227	S165-R167 PolarHBondContact O-N 3.18Å; R167-Y226 HydrophobicContact CB-CD1 4.28Å; R167-Y226 HydrophobicContact CB-CE1 4.35Å; R167-Y226 HydrophobicContact CG-CD1 3.73Å; R167-Y226 HydrophobicContact CG-CD2 4.17Å; R167-Y226 HydrophobicContact CG-CE1 3.82Å; R167-Y226 HydrophobicContact CG-CE2 4.26Å; R167-Y226 HydrophobicContact CG-CG 3.9Å; R167-Y226 VanDerWaalsContact CZ-CE2 3.48Å; R167-Y226 VanDerWaalsContact NE-CE2 3.31Å; R167-W227 HydrophobicContact CB-CZ2 4.34Å; R167-W227 VanDerWaalsContact O-CE2 3.27Å; R167-W227 WeakPolarHBondContact O-CZ2 3.38Å; R167-W227 PolarHBondContact O-NE1 3.39Å
168	R	97.8	Very high	97.4	Very high	115 Å²	115	66.5 Å²	66.5	43%	0.434	34%	0.339	S	S	.	.			trans	-115.1	84.7	-174.5	-63.2	-171.4	163.4	-162.8	-11.8	110.4	W174 D178	R168-W174 VanDerWaalsContact CA-CD1 3.44Å; R168-W174 HydrophobicContact CB-CB 4.42Å; R168-W174 VanDerWaalsContact CB-CD1 3.43Å; R168-W174 HydrophobicContact CB-CD2 4.33Å; R168-W174 HydrophobicContact CB-CG 3.81Å; R168-W174 HydrophobicContact CG-CB 4.39Å; R168-W174 HydrophobicContact CG-CD2 3.69Å; R168-W174 HydrophobicContact CG-CE3 4.39Å; R168-W174 HydrophobicContact CG-CG 3.65Å; R168-W174 HydrophobicContact CG-CZ2 4.46Å; R168-D178 IonicContact CZ-OD1 2.82Å; R168-D178 IonicContact CZ-OD2 2.87Å; R168-D178 IonicContact NH1-OD1 2.89Å; R168-D178 PolarHBondContact NH1-OD1 3.03Å; R168-D178 IonicContact NH1-OD2 2.85Å; R168-D178 PolarHBondContact NH1-OD2 2.78Å; R168-D178 IonicContact NH2-OD1 3.93Å; R168-D178 PolarHBondContact NH2-OD1 3.14Å; R168-D178 IonicContact NH2-OD2 2.71Å
169	I	97.4	Very high	97.6	Very high	19 Å²	19	70 Å²	70	10%	0.097	35%	0.349	C	S	.	.			trans	-91.4	-47.9	-174	-52.1	176.7	0	0	0	109.9	V161 T166 E171 R222 S223 E282	V161-I169 HydrophobicContact CG2-CD1 4.26Å; V161-I169 HydrophobicContact CG2-CG1 4.49Å; V161-I169 HydrophobicContact CG2-CG2 3.79Å; T166-I169 HydrophobicContact CG2-CG1 4.3Å; I169-E171 PolarHBondContact O-N 2.85Å; I169-R222 HydrophobicContact CG2-CG 4.15Å; I169-S223 VanDerWaalsContact CD1-C 3.46Å; I169-S223 VanDerWaalsContact CD1-CA 3.47Å; I169-E282 PolarHBondContact N-OE1 3.05Å
170	M	96.3	Very high	97.7	Very high	16 Å²	16	66.2 Å²	66.2	8%	0.079	33%	0.332	C	S	.	.	S	Bend	trans	-80.5	75	172.3	-167.1	64.3	80.8	0	0	109.9	K172 D173 W174 N202 L203 Y207 E282 M286	M170-K172 PolarHBondContact O-N 3.4Å; M170-K172 VanDerWaalsContact O-N 3.14Å; M170-D173 HydrophobicContact CB-CB 4.15Å; M170-D173 HydrophobicContact CG-CB 3.67Å; M170-D173 VanDerWaalsContact CG-CG 3.47Å; M170-D173 WeakPolarHBondContact CG-OD2 3.42Å; M170-D173 PolarHBondContact O-N 3.34Å; M170-W174 PolarHBondContact O-N 2.82Å; M170-N202 HydrophobicContact CE-CB 4.44Å; M170-L203 HydrophobicContact CB-CD1 3.61Å; M170-L203 HydrophobicContact CB-CD2 3.97Å; M170-L203 HydrophobicContact CB-CG 3.62Å; M170-L203 HydrophobicContact CE-CD2 3.64Å; M170-L203 HydrophobicContact CE-CG 4.08Å; M170-L203 HydrophobicContact CG-CD1 4.4Å; M170-L203 HydrophobicContact CG-CD2 4.36Å; M170-L203 HydrophobicContact CG-CG 3.92Å; M170-Y207 VanDerWaalsContact CA-OH 3.29Å; M170-Y207 WeakPolarHBondContact CA-OH 3.23Å; M170-Y207 WeakPolarHBondContact CB-OH 3.49Å; M170-Y207 HydrophobicContact CE-CD1 4.11Å; M170-Y207 HydrophobicContact CE-CD2 4.33Å; M170-Y207 HydrophobicContact CE-CE1 3.41Å; M170-Y207 VanDerWaalsContact CE-CE1 3.41Å; M170-Y207 HydrophobicContact CE-CE2 3.65Å; M170-Y207 VanDerWaalsContact CE-OH 3.28Å; M170-Y207 WeakPolarHBondContact CE-OH 3.26Å; M170-Y207 PolarHBondContact N-OH 2.68Å; M170-Y207 HydrophobicContact SD-CD1 4.41Å; M170-Y207 HydrophobicContact SD-CE1 3.47Å; M170-Y207 WeakPolarHBondContact SD-CE1 3.27Å; M170-Y207 PolarHBondContact SD-OH 2.98Å; M170-E282 PolarHBondContact N-OE1 2.79Å; M170-M286 HydrophobicContact CB-CE 4.41Å
171	E	97.1	Very high	97.8	Very high	119 Å²	119	61.5 Å²	61.5	56%	0.556	31%	0.307	S	S	*	.	H	α-helix	trans	-53.3	-38.6	-174.6	-69.2	-171	-167.7	0	0	113.5	I169 D173 W174 K175	I169-E171 PolarHBondContact O-N 2.85Å; E171-D173 VanDerWaalsContact C-N 3.34Å; E171-D173 PolarHBondContact O-N 3.1Å; E171-W174 PolarHBondContact O-N 3.42Å; E171-K175 WeakPolarHBondContact O-CB 3.34Å; E171-K175 WeakPolarHBondContact O-CD 2.84Å; E171-K175 WeakPolarHBondContact O-CG 3.24Å; E171-K175 PolarHBondContact O-N 3.23Å; E171-K175 IonicContact OE2-NZ 3.49Å; E171-K175 PolarHBondContact OE2-NZ 2.94Å
172	K	97.4	Very high	97.9	Very high	149 Å²	149	64.5 Å²	64.5	65%	0.648	32%	0.318	S	S	*	.	H	α-helix	trans	-62.1	-43.9	179.7	-173.6	178.7	177.9	-175.9	0	110.9	M170 K175 N176	M170-K172 PolarHBondContact O-N 3.4Å; M170-K172 VanDerWaalsContact O-N 3.14Å; K172-K175 PolarHBondContact O-N 3.49Å; K172-N176 VanDerWaalsContact O-CG 3.3Å; K172-N176 PolarHBondContact O-N 3.07Å; K172-N176 PolarHBondContact O-ND2 2.68Å
173	D	98.4	Very high	98	Very high	2 Å²	2	63 Å²	63	1%	0.011	30%	0.296	C	S	.	.	H	α-helix	trans	-69.6	-41.2	178.9	-73.6	-2.7	0	0	0	111.5	M170 E171 K175 N176 T177 L201 N202 L203 M286	M170-D173 HydrophobicContact CB-CB 4.15Å; M170-D173 HydrophobicContact CG-CB 3.67Å; M170-D173 VanDerWaalsContact CG-CG 3.47Å; M170-D173 WeakPolarHBondContact CG-OD2 3.42Å; M170-D173 PolarHBondContact O-N 3.34Å; E171-D173 VanDerWaalsContact C-N 3.34Å; E171-D173 PolarHBondContact O-N 3.1Å; D173-K175 PolarHBondContact O-N 3.36Å; D173-N176 PolarHBondContact O-N 3.2Å; D173-T177 WeakPolarHBondContact O-CB 3.35Å; D173-T177 PolarHBondContact O-N 3.24Å; D173-T177 PolarHBondContact O-OG1 3.3Å; D173-L201 HydrophobicContact CB-CD2 4.3Å; D173-N202 VanDerWaalsContact CG-N 3.27Å; D173-N202 PolarHBondContact OD1-N 3.17Å; D173-N202 VanDerWaalsContact OD1-N 3.14Å; D173-N202 WeakPolarHBondContact OD2-CA 3.48Å; D173-N202 PolarHBondContact OD2-N 2.82Å; D173-L203 PolarHBondContact OD2-N 2.58Å; D173-M286 HydrophobicContact CB-CE 3.53Å; D173-M286 HydrophobicContact CB-SD 3.63Å
174	W	98.6	Very high	98.1	Very high	19 Å²	19	58.7 Å²	58.7	7%	0.072	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-42.4	173	-79	107.2	0	0	0	112.3	R168 M170 E171 N176 T177 D178 W227 E282 A285 M286	R168-W174 VanDerWaalsContact CA-CD1 3.44Å; R168-W174 HydrophobicContact CB-CB 4.42Å; R168-W174 VanDerWaalsContact CB-CD1 3.43Å; R168-W174 HydrophobicContact CB-CD2 4.33Å; R168-W174 HydrophobicContact CB-CG 3.81Å; R168-W174 HydrophobicContact CG-CB 4.39Å; R168-W174 HydrophobicContact CG-CD2 3.69Å; R168-W174 HydrophobicContact CG-CE3 4.39Å; R168-W174 HydrophobicContact CG-CG 3.65Å; R168-W174 HydrophobicContact CG-CZ2 4.46Å; M170-W174 PolarHBondContact O-N 2.82Å; E171-W174 PolarHBondContact O-N 3.42Å; W174-N176 VanDerWaalsContact C-N 3.3Å; W174-N176 PolarHBondContact O-N 3.47Å; W174-T177 PolarHBondContact O-N 2.92Å; W174-D178 WeakPolarHBondContact O-CB 3.49Å; W174-D178 VanDerWaalsContact O-CG 3.26Å; W174-D178 PolarHBondContact O-N 3.02Å; W174-W227 HydrophobicContact CZ2-CZ2 4.21Å; W174-E282 HydrophobicContact CZ2-CG 4.17Å; W174-E282 PolarHBondContact NE1-OE1 2.89Å; W174-A285 HydrophobicContact CH2-CB 3.96Å; W174-A285 HydrophobicContact CZ2-CB 4.29Å; W174-M286 HydrophobicContact CD2-CE 3.75Å; W174-M286 HydrophobicContact CD2-CG 4.01Å; W174-M286 VanDerWaalsContact CE2-CE 3.48Å; W174-M286 HydrophobicContact CE3-CG 3.97Å; W174-M286 HydrophobicContact CG-CE 3.7Å; W174-M286 HydrophobicContact CH2-CG 3.8Å; W174-M286 HydrophobicContact CZ2-CE 4.15Å; W174-M286 HydrophobicContact CZ2-CG 3.83Å; W174-M286 HydrophobicContact CZ3-CG 3.86Å
175	K	98.8	Very high	98.1	Very high	115 Å²	115	57.2 Å²	57.2	50%	0.5	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-40.3	174.7	-76.1	164	-180	157.4	0	111.4	E171 K172 D173 K179	E171-K175 WeakPolarHBondContact O-CB 3.34Å; E171-K175 WeakPolarHBondContact O-CD 2.84Å; E171-K175 WeakPolarHBondContact O-CG 3.24Å; E171-K175 PolarHBondContact O-N 3.23Å; E171-K175 IonicContact OE2-NZ 3.49Å; E171-K175 PolarHBondContact OE2-NZ 2.94Å; K172-K175 PolarHBondContact O-N 3.49Å; D173-K175 PolarHBondContact O-N 3.36Å; K175-K179 VanDerWaalsContact O-CG 3.25Å; K175-K179 WeakPolarHBondContact O-CG 3.31Å; K175-K179 PolarHBondContact O-N 3.47Å; K175-K179 VanDerWaalsContact O-N 3.12Å
176	N	98.7	Very high	98	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.107	26%	0.255	C	S	.	.	H	α-helix	trans	-70.8	-38	175.9	-69.6	-37.8	0	0	0	112.4	G124 K172 D173 W174 K179 A180 L199	G124-N176 VanDerWaalsContact CA-ND2 3.35Å; G124-N176 WeakPolarHBondContact CA-ND2 3.27Å; K172-N176 VanDerWaalsContact O-CG 3.3Å; K172-N176 PolarHBondContact O-N 3.07Å; K172-N176 PolarHBondContact O-ND2 2.68Å; D173-N176 PolarHBondContact O-N 3.2Å; W174-N176 VanDerWaalsContact C-N 3.3Å; W174-N176 PolarHBondContact O-N 3.47Å; N176-K179 PolarHBondContact O-N 2.81Å; N176-A180 WeakPolarHBondContact O-CB 3.44Å; N176-A180 PolarHBondContact O-N 3.46Å; N176-L199 HydrophobicContact CB-CD1 4.04Å
177	T	98.9	Very high	97.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-43.1	176	-57.7	0	0	0	0	111.3	D173 W174 K179 A180 A181 L199 M286 Q289 V290	D173-T177 WeakPolarHBondContact O-CB 3.35Å; D173-T177 PolarHBondContact O-N 3.24Å; D173-T177 PolarHBondContact O-OG1 3.3Å; W174-T177 PolarHBondContact O-N 2.92Å; T177-K179 PolarHBondContact O-N 2.82Å; T177-A180 WeakPolarHBondContact O-CB 3.25Å; T177-A180 PolarHBondContact O-N 3.23Å; T177-A181 WeakPolarHBondContact O-CB 3.29Å; T177-A181 PolarHBondContact O-N 3.34Å; T177-L199 HydrophobicContact CG2-CD2 4.43Å; T177-M286 HydrophobicContact CG2-CB 3.93Å; T177-M286 HydrophobicContact CG2-CG 4.34Å; T177-Q289 HydrophobicContact CG2-CB 3.87Å; T177-Q289 HydrophobicContact CG2-CG 4.07Å; T177-V290 HydrophobicContact CG2-CG2 4.46Å
178	D	98.8	Very high	97.4	Very high	52 Å²	52	51.3 Å²	51.3	28%	0.278	23%	0.23	S	C	.	.	H	α-helix	trans	-60.7	-45	174.1	-72.8	-25.7	0	0	0	110.8	R168 W174 A180 A181 Q182 Q289	R168-D178 IonicContact CZ-OD1 2.82Å; R168-D178 IonicContact CZ-OD2 2.87Å; R168-D178 IonicContact NH1-OD1 2.89Å; R168-D178 PolarHBondContact NH1-OD1 3.03Å; R168-D178 IonicContact NH1-OD2 2.85Å; R168-D178 PolarHBondContact NH1-OD2 2.78Å; R168-D178 IonicContact NH2-OD1 3.93Å; R168-D178 PolarHBondContact NH2-OD1 3.14Å; R168-D178 IonicContact NH2-OD2 2.71Å; W174-D178 WeakPolarHBondContact O-CB 3.49Å; W174-D178 VanDerWaalsContact O-CG 3.26Å; W174-D178 PolarHBondContact O-N 3.02Å; D178-A180 VanDerWaalsContact C-N 3.34Å; D178-A180 PolarHBondContact O-N 2.91Å; D178-A181 PolarHBondContact O-N 3.06Å; D178-Q182 VanDerWaalsContact O-CB 3.29Å; D178-Q182 WeakPolarHBondContact O-CB 3.43Å; D178-Q182 PolarHBondContact O-N 3.33Å; D178-Q289 PolarHBondContact OD1-NE2 3.22Å; D178-Q289 PolarHBondContact OD1-OE1 3.3Å
179	K	98.8	Very high	97	Very high	116 Å²	116	47.7 Å²	47.7	50%	0.504	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-41	174.6	-74.4	171.6	-176.5	178.6	0	112.1	L123 K175 N176 T177 W183	L123-K179 HydrophobicContact CD1-CB 4.08Å; L123-K179 HydrophobicContact CD2-CB 4.38Å; K175-K179 VanDerWaalsContact O-CG 3.25Å; K175-K179 WeakPolarHBondContact O-CG 3.31Å; K175-K179 PolarHBondContact O-N 3.47Å; K175-K179 VanDerWaalsContact O-N 3.12Å; N176-K179 PolarHBondContact O-N 2.81Å; T177-K179 PolarHBondContact O-N 2.82Å; K179-W183 WeakPolarHBondContact O-CB 3.45Å; K179-W183 PolarHBondContact O-N 3.27Å
180	A	98.8	Very high	96.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-49.6	177.4	0	0	0	0	0	110.9	L123 N176 T177 D178 Q182 W183 I184 L197 L199	L123-A180 VanDerWaalsContact CD1-CA 3.48Å; L123-A180 HydrophobicContact CD1-CB 3.68Å; N176-A180 WeakPolarHBondContact O-CB 3.44Å; N176-A180 PolarHBondContact O-N 3.46Å; T177-A180 WeakPolarHBondContact O-CB 3.25Å; T177-A180 PolarHBondContact O-N 3.23Å; D178-A180 VanDerWaalsContact C-N 3.34Å; D178-A180 PolarHBondContact O-N 2.91Å; A180-Q182 PolarHBondContact O-N 3Å; A180-W183 PolarHBondContact O-N 3.29Å; A180-I184 WeakPolarHBondContact O-CG1 3.3Å; A180-I184 PolarHBondContact O-N 2.86Å; A180-L197 HydrophobicContact CB-CD2 4.25Å; A180-L199 HydrophobicContact CB-CD1 4.32Å; A180-L199 HydrophobicContact CB-CD2 4.23Å
181	A	98.8	Very high	96.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-42.6	177.7	0	0	0	0	0	112.2	T177 D178 I184 R185 Q289 A293	T177-A181 WeakPolarHBondContact O-CB 3.29Å; T177-A181 PolarHBondContact O-N 3.34Å; D178-A181 PolarHBondContact O-N 3.06Å; A181-I184 PolarHBondContact O-N 2.81Å; A181-R185 WeakPolarHBondContact O-CB 3.35Å; A181-R185 VanDerWaalsContact O-CG 3.3Å; A181-R185 WeakPolarHBondContact O-CG 3.24Å; A181-R185 PolarHBondContact O-N 2.78Å; A181-Q289 HydrophobicContact CB-CG 4.11Å; A181-A293 HydrophobicContact CB-CB 3.85Å
182	Q	98.6	Very high	95.8	Very high	96 Å²	96	59 Å²	59	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-44.8	174.9	-177.2	179.9	4.5	0	0	111.4	D178 A180 I184 R185 Q186	D178-Q182 VanDerWaalsContact O-CB 3.29Å; D178-Q182 WeakPolarHBondContact O-CB 3.43Å; D178-Q182 PolarHBondContact O-N 3.33Å; A180-Q182 PolarHBondContact O-N 3Å; Q182-I184 VanDerWaalsContact C-N 3.33Å; Q182-I184 PolarHBondContact O-N 3.39Å; Q182-R185 PolarHBondContact O-N 2.8Å; Q182-Q186 VanDerWaalsContact CG-CD 3.47Å; Q182-Q186 HydrophobicContact CG-CG 4.23Å; Q182-Q186 VanDerWaalsContact CG-OE1 3.25Å; Q182-Q186 WeakPolarHBondContact O-CB 3.16Å; Q182-Q186 WeakPolarHBondContact O-CG 2.99Å; Q182-Q186 PolarHBondContact O-N 3.19Å
183	W	98.5	Very high	95.6	Very high	23 Å²	23	58.2 Å²	58.2	9%	0.087	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-39.7	178.2	-179.7	86.2	0	0	0	111.9	R119 K121 K179 A180 T187 A188 F195 L197	R119-W183 HydrophobicContact CG-CZ2 4.15Å; K121-W183 HydrophobicContact CB-CD2 4.13Å; K121-W183 HydrophobicContact CB-CE3 4.32Å; K121-W183 HydrophobicContact CB-CH2 3.81Å; K121-W183 HydrophobicContact CB-CZ2 3.63Å; K121-W183 HydrophobicContact CB-CZ3 4.18Å; K121-W183 HydrophobicContact CG-CD2 3.97Å; K121-W183 HydrophobicContact CG-CE3 4.41Å; K121-W183 HydrophobicContact CG-CG 4.24Å; K121-W183 HydrophobicContact CG-CZ2 4.3Å; K179-W183 WeakPolarHBondContact O-CB 3.45Å; K179-W183 PolarHBondContact O-N 3.27Å; A180-W183 PolarHBondContact O-N 3.29Å; W183-T187 WeakPolarHBondContact O-CA 3.48Å; W183-T187 VanDerWaalsContact O-CB 3.26Å; W183-T187 WeakPolarHBondContact O-CB 3.47Å; W183-T187 PolarHBondContact O-N 2.91Å; W183-A188 HydrophobicContact CE3-CB 4.25Å; W183-A188 HydrophobicContact CH2-CB 4.27Å; W183-A188 HydrophobicContact CZ3-CB 3.94Å; W183-A188 PolarHBondContact O-N 2.98Å; W183-F195 HydrophobicContact CH2-CB 3.86Å; W183-F195 AromaticContact CH2-CD2 3.77Å; W183-F195 HydrophobicContact CH2-CD2 3.77Å; W183-F195 AromaticContact CH2-CG 3.96Å; W183-F195 HydrophobicContact CH2-CG 3.96Å; W183-F195 AromaticContact CZ3-CD2 3.68Å; W183-F195 HydrophobicContact CZ3-CD2 3.68Å; W183-F195 HydrophobicContact CZ3-CE2 4.1Å; W183-F195 HydrophobicContact CZ3-CG 4.2Å; W183-L197 HydrophobicContact CE3-CD1 4.34Å; W183-L197 HydrophobicContact CE3-CD2 4.44Å; W183-L197 HydrophobicContact CZ3-CB 4.06Å; W183-L197 HydrophobicContact CZ3-CD1 4.39Å; W183-L197 HydrophobicContact CZ3-CD2 4.43Å
184	I	98.4	Very high	95.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-52.6	171.5	-69.6	163.4	0	0	0	110	A180 A181 Q182 Q186 A189 L197 V290 A293 L294 L299	A180-I184 WeakPolarHBondContact O-CG1 3.3Å; A180-I184 PolarHBondContact O-N 2.86Å; A181-I184 PolarHBondContact O-N 2.81Å; Q182-I184 VanDerWaalsContact C-N 3.33Å; Q182-I184 PolarHBondContact O-N 3.39Å; I184-Q186 PolarHBondContact O-N 3.05Å; I184-A189 WeakPolarHBondContact O-CB 3.46Å; I184-A189 PolarHBondContact O-N 3.15Å; I184-L197 HydrophobicContact CD1-CD2 3.73Å; I184-L197 HydrophobicContact CG1-CD2 3.96Å; I184-V290 HydrophobicContact CD1-CG1 4.08Å; I184-A293 HydrophobicContact CB-CB 4.2Å; I184-A293 HydrophobicContact CD1-CB 4.16Å; I184-A293 HydrophobicContact CG2-CB 4.08Å; I184-L294 HydrophobicContact CD1-CD2 4.14Å; I184-L294 HydrophobicContact CD1-CG 4.2Å; I184-L294 HydrophobicContact CG1-CD2 4.43Å; I184-L294 HydrophobicContact CG2-CD2 3.96Å; I184-L294 HydrophobicContact CG2-CG 4.46Å; I184-L299 HydrophobicContact CG2-CD1 3.95Å
185	R	97.6	Very high	95.4	Very high	76 Å²	76	58.6 Å²	58.6	29%	0.287	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-36.6	-175.1	-73.2	177.8	-174.8	121	-0.6	114.4	A181 Q182 A293 E296 K297	A181-R185 WeakPolarHBondContact O-CB 3.35Å; A181-R185 VanDerWaalsContact O-CG 3.3Å; A181-R185 WeakPolarHBondContact O-CG 3.24Å; A181-R185 PolarHBondContact O-N 2.78Å; Q182-R185 PolarHBondContact O-N 2.8Å; R185-A293 HydrophobicContact CG-CB 4.4Å; R185-E296 IonicContact CZ-OE1 3.42Å; R185-E296 IonicContact CZ-OE2 2.92Å; R185-E296 VanDerWaalsContact CZ-OE2 3.25Å; R185-E296 IonicContact NE-OE2 3.08Å; R185-E296 PolarHBondContact NE-OE2 3.31Å; R185-E296 VanDerWaalsContact NH2-CD 3.35Å; R185-E296 IonicContact NH2-OE1 2.61Å; R185-E296 PolarHBondContact NH2-OE1 2.99Å; R185-E296 IonicContact NH2-OE2 3.96Å; R185-E296 PolarHBondContact NH2-OE2 3.41Å; R185-K297 HydrophobicContact CG-CG 4.29Å; R185-K297 VanDerWaalsContact O-CE 3.3Å; R185-K297 WeakPolarHBondContact O-CE 3.3Å
186	Q	95.1	Very high	95.4	Very high	103 Å²	103	53.1 Å²	53.1	48%	0.481	26%	0.258	S	S	.	.	H	α-helix	trans	-104.5	-40.4	-170.5	-65.2	178.2	-11.7	0	0	112	Q182 I184 M190	Q182-Q186 VanDerWaalsContact CG-CD 3.47Å; Q182-Q186 HydrophobicContact CG-CG 4.23Å; Q182-Q186 VanDerWaalsContact CG-OE1 3.25Å; Q182-Q186 WeakPolarHBondContact O-CB 3.16Å; Q182-Q186 WeakPolarHBondContact O-CG 2.99Å; Q182-Q186 PolarHBondContact O-N 3.19Å; I184-Q186 PolarHBondContact O-N 3.05Å; Q186-M190 WeakPolarHBondContact O-CE 3.36Å; Q186-M190 VanDerWaalsContact O-CG 3.24Å; Q186-M190 WeakPolarHBondContact O-CG 3.33Å
187	T	92.8	Very high	95.4	Very high	34 Å²	34	52.3 Å²	52.3	21%	0.209	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-51.2	-172.3	-56.6	0	0	0	0	112.1	W183 M190	W183-T187 WeakPolarHBondContact O-CA 3.48Å; W183-T187 VanDerWaalsContact O-CB 3.26Å; W183-T187 WeakPolarHBondContact O-CB 3.47Å; W183-T187 PolarHBondContact O-N 2.91Å; T187-M190 PolarHBondContact O-N 2.97Å
188	A	90.1	Very high	95.4	Very high	3 Å²	3	52.4 Å²	52.4	3%	0.025	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-66.1	-45.3	-176.8	0	0	0	0	0	111.3	W183 M190 S191 F195 L299	W183-A188 HydrophobicContact CE3-CB 4.25Å; W183-A188 HydrophobicContact CH2-CB 4.27Å; W183-A188 HydrophobicContact CZ3-CB 3.94Å; W183-A188 PolarHBondContact O-N 2.98Å; A188-M190 PolarHBondContact O-N 3.42Å; A188-M190 VanDerWaalsContact O-N 3.14Å; A188-S191 PolarHBondContact O-N 2.8Å; A188-F195 HydrophobicContact CB-CD1 3.7Å; A188-F195 HydrophobicContact CB-CE1 3.71Å; A188-F195 HydrophobicContact CB-CG 4.14Å; A188-F195 HydrophobicContact CB-CZ 4.17Å; A188-L299 HydrophobicContact CB-CD1 4.34Å
189	A	89.5	Confident	95.4	Very high	40 Å²	40	50 Å²	50	33%	0.331	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-62.5	-20.5	-179.7	0	0	0	0	0	114.8	I184 K297 L299	I184-A189 WeakPolarHBondContact O-CB 3.46Å; I184-A189 PolarHBondContact O-N 3.15Å; A189-K297 HydrophobicContact CB-CB 3.99Å; A189-K297 HydrophobicContact CB-CD 4.02Å; A189-K297 HydrophobicContact CB-CG 3.91Å; A189-L299 HydrophobicContact CB-CD1 4.18Å
190	M	90.4	Very high	95.4	Very high	161 Å²	161	44.4 Å²	44.4	79%	0.793	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-91.9	-6.8	177.4	-62.5	-164.7	-59.5	0	0	113.1	Q186 T187 A188	Q186-M190 WeakPolarHBondContact O-CE 3.36Å; Q186-M190 VanDerWaalsContact O-CG 3.24Å; Q186-M190 WeakPolarHBondContact O-CG 3.33Å; T187-M190 PolarHBondContact O-N 2.97Å; A188-M190 PolarHBondContact O-N 3.42Å; A188-M190 VanDerWaalsContact O-N 3.14Å
191	S	87.4	Confident	95.4	Very high	39 Å²	39	44.4 Å²	44.4	27%	0.273	22%	0.217	S	C	.	.			trans	-96.2	140.7	-175.5	-158.6	0	0	0	0	111.9	A188 K193	A188-S191 PolarHBondContact O-N 2.8Å; S191-K193 VanDerWaalsContact C-N 3.34Å; S191-K193 PolarHBondContact OG-N 3.28Å
192	K	87.4	Confident	95.3	Very high	191 Å²	191	46.4 Å²	46.4	83%	0.83	23%	0.227	S	C	*	.	S	Bend	trans	-85.7	-8.3	164.7	-63	-173	179.1	-176	0	112.7	Q27	Q27-K192 PolarHBondContact NE2-O 3.03Å
193	K	92.4	Very high	95.2	Very high	133 Å²	133	41.8 Å²	41.8	58%	0.578	21%	0.206	S	C	*	.	S	Bend	trans	-82.4	144.2	176.7	-65.1	-172.9	177.2	-172	0	109.4	S191	S191-K193 VanDerWaalsContact C-N 3.34Å; S191-K193 PolarHBondContact OG-N 3.28Å
194	P	96.3	Very high	95.2	Very high	24 Å²	24	40.7 Å²	40.7	16%	0.156	20%	0.201	C	C	.	.			trans	-63.3	154.3	168.8	31.8	-36.5	0	0	0	109.8	S28 N30 Y118 R119	S28-P194 WeakPolarHBondContact O-CB 3.29Å; N30-P194 WeakPolarHBondContact OD1-CA 3.39Å; Y118-P194 WeakPolarHBondContact CA-O 2.9Å; Y118-P194 HydrophobicContact CD1-CB 4.01Å; Y118-P194 HydrophobicContact CD1-CG 4.26Å; Y118-P194 HydrophobicContact CD2-CB 4.5Å; Y118-P194 HydrophobicContact CD2-CG 3.94Å; Y118-P194 HydrophobicContact CE1-CB 3.7Å; Y118-P194 HydrophobicContact CE1-CG 4.19Å; Y118-P194 HydrophobicContact CE2-CB 4.22Å; Y118-P194 HydrophobicContact CE2-CG 3.85Å; Y118-P194 HydrophobicContact CG-CB 4.38Å; Y118-P194 HydrophobicContact CG-CG 4.13Å; R119-P194 PolarHBondContact N-O 3.3Å
195	F	97.9	Very high	95	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.1	179.8	73.3	-98.2	0	0	0	112.8	N30 I31 V32 R119 W183 A188 L197 L294 L299	N30-F195 CarbonylContact C-O 3.52Å; N30-F195 WeakPolarHBondContact CA-O 3.41Å; N30-F195 HydrophobicContact CB-CD1 3.86Å; N30-F195 HydrophobicContact CB-CD2 4.29Å; N30-F195 HydrophobicContact CB-CE1 3.58Å; N30-F195 HydrophobicContact CB-CE2 4.02Å; N30-F195 HydrophobicContact CB-CG 4.21Å; N30-F195 HydrophobicContact CB-CZ 3.65Å; N30-F195 VanDerWaalsContact ND2-CE1 3.3Å; N30-F195 WeakPolarHBondContact ND2-CE1 3.47Å; N30-F195 WeakPolarHBondContact OD1-CD1 3.19Å; N30-F195 WeakPolarHBondContact OD1-CE1 3.45Å; N30-F195 PolarHBondContact OD1-N 3.31Å; I31-F195 PolarHBondContact N-O 2.5Å; V32-F195 HydrophobicContact CG2-CE2 3.7Å; V32-F195 HydrophobicContact CG2-CZ 4.3Å; R119-F195 HydrophobicContact CB-CB 4.16Å; R119-F195 CarbonylContact O-C 3.1Å; R119-F195 WeakPolarHBondContact O-CA 3.23Å; R119-F195 VanDerWaalsContact O-CB 3.32Å; R119-F195 WeakPolarHBondContact O-CB 3.34Å; W183-F195 HydrophobicContact CH2-CB 3.86Å; W183-F195 AromaticContact CH2-CD2 3.77Å; W183-F195 HydrophobicContact CH2-CD2 3.77Å; W183-F195 AromaticContact CH2-CG 3.96Å; W183-F195 HydrophobicContact CH2-CG 3.96Å; W183-F195 AromaticContact CZ3-CD2 3.68Å; W183-F195 HydrophobicContact CZ3-CD2 3.68Å; W183-F195 HydrophobicContact CZ3-CE2 4.1Å; W183-F195 HydrophobicContact CZ3-CG 4.2Å; A188-F195 HydrophobicContact CB-CD1 3.7Å; A188-F195 HydrophobicContact CB-CE1 3.71Å; A188-F195 HydrophobicContact CB-CG 4.14Å; A188-F195 HydrophobicContact CB-CZ 4.17Å; F195-L197 HydrophobicContact CD2-CB 4.33Å; F195-L197 HydrophobicContact CE2-CB 4.35Å; F195-L294 HydrophobicContact CZ-CD2 3.88Å; F195-L299 HydrophobicContact CE1-CD1 4.19Å
196	A	98.5	Very high	94.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118	173.9	0	0	0	0	0	109.2	I31 M110 L113 Y118 R119 T120 K121	I31-A196 HydrophobicContact CB-CB 4.42Å; I31-A196 CarbonylContact O-C 3.35Å; I31-A196 VanDerWaalsContact O-CA 3.23Å; I31-A196 WeakPolarHBondContact O-CA 3.34Å; M110-A196 HydrophobicContact CE-CB 4.3Å; M110-A196 HydrophobicContact SD-CB 4.24Å; L113-A196 HydrophobicContact CD1-CB 3.68Å; Y118-A196 HydrophobicContact CD1-CB 3.99Å; R119-A196 PolarHBondContact O-N 2.89Å; T120-A196 CarbonylContact C-O 3.5Å; T120-A196 WeakPolarHBondContact CA-O 3.4Å; T120-A196 HydrophobicContact CG2-CB 4.36Å; K121-A196 PolarHBondContact N-O 3.16Å
197	L	98.8	Very high	94.7	Very high	3 Å²	3	35 Å²	35	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.6	178.2	172.7	65.7	0	0	0	109.6	I31 V32 M33 K121 L123 A180 W183 I184 F195	I31-L197 PolarHBondContact O-N 3.06Å; V32-L197 CarbonylContact C-O 3.59Å; V32-L197 WeakPolarHBondContact CA-O 3.25Å; V32-L197 HydrophobicContact CG1-CD2 4.27Å; V32-L197 HydrophobicContact CG2-CB 4.23Å; M33-L197 PolarHBondContact N-O 3.21Å; K121-L197 HydrophobicContact CB-CD1 3.87Å; K121-L197 HydrophobicContact CG-CD1 3.87Å; K121-L197 CarbonylContact O-C 3.54Å; K121-L197 WeakPolarHBondContact O-CA 3.29Å; L123-L197 HydrophobicContact CD1-CD1 4.36Å; A180-L197 HydrophobicContact CB-CD2 4.25Å; W183-L197 HydrophobicContact CE3-CD1 4.34Å; W183-L197 HydrophobicContact CE3-CD2 4.44Å; W183-L197 HydrophobicContact CZ3-CB 4.06Å; W183-L197 HydrophobicContact CZ3-CD1 4.39Å; W183-L197 HydrophobicContact CZ3-CD2 4.43Å; I184-L197 HydrophobicContact CD1-CD2 3.73Å; I184-L197 HydrophobicContact CG1-CD2 3.96Å; F195-L197 HydrophobicContact CD2-CB 4.33Å; F195-L197 HydrophobicContact CE2-CB 4.35Å
198	Y	98.8	Very high	94.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.8	166.8	174.1	-84.7	0	0	0	109.3	M33 M35 R81 W85 K121 M122 L123 K125 L126	M33-Y198 HydrophobicContact CB-CD2 4.21Å; M33-Y198 HydrophobicContact CG-CD2 4.14Å; M33-Y198 HydrophobicContact CG-CE2 4.47Å; M33-Y198 WeakPolarHBondContact O-CA 3.41Å; M33-Y198 HydrophobicContact SD-CD2 3.87Å; M33-Y198 HydrophobicContact SD-CE2 4.03Å; M35-Y198 HydrophobicContact CB-CE2 3.87Å; M35-Y198 HydrophobicContact SD-CE2 4.1Å; R81-Y198 PolarHBondContact NH1-OH 3.22Å; W85-Y198 HydrophobicContact CH2-CD1 4.28Å; W85-Y198 HydrophobicContact CH2-CD2 4.29Å; W85-Y198 HydrophobicContact CH2-CG 4.07Å; W85-Y198 AromaticContact CZ2-CD1 3.92Å; W85-Y198 HydrophobicContact CZ2-CD1 3.92Å; W85-Y198 AromaticContact CZ2-CD2 3.65Å; W85-Y198 HydrophobicContact CZ2-CD2 3.65Å; W85-Y198 AromaticContact CZ2-CE1 3.95Å; W85-Y198 HydrophobicContact CZ2-CE1 3.95Å; W85-Y198 AromaticContact CZ2-CE2 3.66Å; W85-Y198 HydrophobicContact CZ2-CE2 3.66Å; W85-Y198 AromaticContact CZ2-CG 3.77Å; W85-Y198 HydrophobicContact CZ2-CG 3.77Å; W85-Y198 AromaticContact CZ2-CZ 3.8Å; K121-Y198 PolarHBondContact O-N 3.19Å; M122-Y198 WeakPolarHBondContact CA-O 3.5Å; L123-Y198 PolarHBondContact N-O 2.89Å; K125-Y198 WeakPolarHBondContact O-CE1 3.39Å; K125-Y198 PolarHBondContact O-OH 3.23Å; L126-Y198 HydrophobicContact CD2-CD1 3.67Å; L126-Y198 HydrophobicContact CD2-CE1 3.55Å
199	L	98.8	Very high	94.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	104.3	172.4	177.3	63.4	0	0	0	109.1	M33 V34 M35 L123 N176 T177 A180 L201 V290	M33-L199 PolarHBondContact O-N 3.44Å; V34-L199 WeakPolarHBondContact CA-O 3.48Å; M35-L199 PolarHBondContact N-O 3.31Å; L123-L199 HydrophobicContact CB-CD1 4.05Å; L123-L199 WeakPolarHBondContact O-CA 3.38Å; N176-L199 HydrophobicContact CB-CD1 4.04Å; T177-L199 HydrophobicContact CG2-CD2 4.43Å; A180-L199 HydrophobicContact CB-CD1 4.32Å; A180-L199 HydrophobicContact CB-CD2 4.23Å; L199-L201 HydrophobicContact CD1-CD2 4.25Å; L199-L201 HydrophobicContact CD2-CD2 4.05Å; L199-L201 HydrophobicContact CG-CD2 3.87Å; L199-V290 HydrophobicContact CD2-CG2 3.63Å
200	G	98.5	Very high	93.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.3	173.9	0	0	0	0	0	111.3	M35 L123 G124 K125	M35-G200 CarbonylContact O-C 3.47Å; M35-G200 WeakPolarHBondContact O-CA 3.21Å; L123-G200 PolarHBondContact O-N 3.12Å; G124-G200 CarbonylContact C-O 3.54Å; G124-G200 VanDerWaalsContact CA-O 3.29Å; G124-G200 WeakPolarHBondContact CA-O 3.42Å; K125-G200 PolarHBondContact N-O 2.86Å; K125-G200 WeakPolarHBondContact O-CA 3.33Å
201	L	98.6	Very high	92.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	146.8	173.5	-49.8	179.8	0	0	0	109.5	V34 M35 D37 D173 L199 A283 M286	V34-L201 HydrophobicContact CG1-CD1 4.04Å; V34-L201 HydrophobicContact CG1-CG 4.38Å; M35-L201 PolarHBondContact O-N 2.72Å; D37-L201 WeakPolarHBondContact CB-O 3.37Å; D37-L201 PolarHBondContact N-O 2.96Å; D173-L201 HydrophobicContact CB-CD2 4.3Å; L199-L201 HydrophobicContact CD1-CD2 4.25Å; L199-L201 HydrophobicContact CD2-CD2 4.05Å; L199-L201 HydrophobicContact CG-CD2 3.87Å; L201-A283 HydrophobicContact CD1-CB 4.26Å; L201-M286 HydrophobicContact CD1-CB 4.11Å; L201-M286 HydrophobicContact CD1-SD 4.02Å; L201-M286 HydrophobicContact CD2-SD 3.81Å; L201-M286 HydrophobicContact CG-SD 4.46Å
202	N	97.3	Very high	91.8	Very high	41 Å²	41	50 Å²	50	22%	0.219	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-24.4	166.7	-167.8	88.8	0	0	0	111.5	K125 M170 D173 H205	K125-N202 PolarHBondContact NZ-OD1 2.85Å; M170-N202 HydrophobicContact CE-CB 4.44Å; D173-N202 VanDerWaalsContact CG-N 3.27Å; D173-N202 PolarHBondContact OD1-N 3.17Å; D173-N202 VanDerWaalsContact OD1-N 3.14Å; D173-N202 WeakPolarHBondContact OD2-CA 3.48Å; D173-N202 PolarHBondContact OD2-N 2.82Å; N202-H205 WeakPolarHBondContact O-CA 3.38Å; N202-H205 WeakPolarHBondContact O-CB 3.43Å; N202-H205 PolarHBondContact O-N 3.43Å
203	L	97.1	Very high	90.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	153.3	172.6	-73.7	177.3	0	0	0	112.1	S36 D37 M170 D173 M279 E282 A283 M286	S36-L203 PolarHBondContact OG-O 2.86Å; D37-L203 PolarHBondContact N-O 3.49Å; D37-L203 CarbonylContact O-C 3.56Å; D37-L203 VanDerWaalsContact O-O 3.14Å; M170-L203 HydrophobicContact CB-CD1 3.61Å; M170-L203 HydrophobicContact CB-CD2 3.97Å; M170-L203 HydrophobicContact CB-CG 3.62Å; M170-L203 HydrophobicContact CE-CD2 3.64Å; M170-L203 HydrophobicContact CE-CG 4.08Å; M170-L203 HydrophobicContact CG-CD1 4.4Å; M170-L203 HydrophobicContact CG-CD2 4.36Å; M170-L203 HydrophobicContact CG-CG 3.92Å; D173-L203 PolarHBondContact OD2-N 2.58Å; L203-M279 HydrophobicContact CD2-CB 4.15Å; L203-M279 HydrophobicContact CD2-CE 3.63Å; L203-M279 HydrophobicContact CD2-CG 4.3Å; L203-E282 HydrophobicContact CD1-CB 3.86Å; L203-E282 HydrophobicContact CD1-CG 3.56Å; L203-A283 HydrophobicContact CB-CB 4.01Å; L203-M286 HydrophobicContact CD1-CE 3.78Å
204	P	96.6	Very high	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-82.5	22.3	-9.6	36.9	-44.1	0	0	0	116.1	S36 D37 A38 F39 Y276 M279	S36-P204 VanDerWaalsContact OG-CD 3.29Å; S36-P204 WeakPolarHBondContact OG-CD 3.47Å; D37-P204 WeakPolarHBondContact O-CD 3.12Å; A38-P204 VanDerWaalsContact O-CG 3.25Å; A38-P204 WeakPolarHBondContact O-CG 3.27Å; F39-P204 HydrophobicContact CB-CG 4.34Å; F39-P204 HydrophobicContact CD2-CG 4.27Å; P204-Y276 HydrophobicContact CB-CD2 4Å; P204-Y276 HydrophobicContact CB-CE2 3.71Å; P204-Y276 HydrophobicContact CG-CD2 4.27Å; P204-Y276 HydrophobicContact CG-CE2 3.47Å; P204-Y276 VanDerWaalsContact CG-CE2 3.47Å; P204-M279 HydrophobicContact CB-CB 3.7Å; P204-M279 WeakPolarHBondContact O-CE 3.45Å
205	H	95.6	Very high	88.6	Confident	25 Å²	25	41.3 Å²	41.3	12%	0.116	22%	0.215	C	C	.	.	S	Bend	trans	-52.1	133.9	175.6	-170.6	-66.3	0	0	0	111.7	D37 A38 N202 M279 Y322 K323	D37-H205 HydrophobicContact CB-CB 4.21Å; D37-H205 PolarHBondContact O-N 2.75Å; D37-H205 VanDerWaalsContact O-N 3.07Å; D37-H205 IonicContact OD1-CD2 2.99Å; D37-H205 PolarHBondContact OD1-CD2 3.17Å; D37-H205 VanDerWaalsContact OD1-CD2 3.23Å; D37-H205 IonicContact OD1-CG 3.4Å; D37-H205 IonicContact OD2-CD2 3.3Å; A38-H205 HydrophobicContact CB-CB 4.4Å; N202-H205 WeakPolarHBondContact O-CA 3.38Å; N202-H205 WeakPolarHBondContact O-CB 3.43Å; N202-H205 PolarHBondContact O-N 3.43Å; H205-M279 WeakPolarHBondContact O-CE 3.4Å; H205-Y322 AromaticContact CD2-CE2 3.98Å; H205-Y322 AromaticContact CE1-CE2 3.65Å; H205-Y322 AromaticContact CE1-CZ 4Å; H205-Y322 AromaticContact NE2-CE2 3.37Å; H205-Y322 WeakPolarHBondContact NE2-CE2 3.47Å; H205-Y322 AromaticContact NE2-CZ 3.64Å; H205-Y322 PolarHBondContact NE2-OH 3.11Å; H205-K323 PolarHBondContact CD2-NZ 2.84Å; H205-K323 PolarHBondContact NE2-NZ 3.4Å
206	P	93.6	Very high	87.4	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.019	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-64.6	153.2	-179.4	26.7	-35.2	0	0	0	112.4	F221 Y322	P206-F221 HydrophobicContact CB-CD1 4.32Å; P206-F221 HydrophobicContact CB-CD2 4.44Å; P206-F221 HydrophobicContact CB-CE1 4.18Å; P206-F221 HydrophobicContact CB-CE2 4.3Å; P206-F221 HydrophobicContact CB-CG 4.45Å; P206-F221 HydrophobicContact CB-CZ 4.18Å; P206-F221 HydrophobicContact CG-CE1 4.45Å; P206-F221 HydrophobicContact CG-CZ 4.26Å; P206-Y322 HydrophobicContact CG-CD2 4.23Å; P206-Y322 HydrophobicContact CG-CE2 4.35Å
207	Y	91.8	Very high	86.3	Confident	31 Å²	31	42.4 Å²	42.4	12%	0.122	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	153.1	176.1	-64.6	-103.3	0	0	0	110.1	M170 T209 S219 T220 R222 M279	M170-Y207 VanDerWaalsContact CA-OH 3.29Å; M170-Y207 WeakPolarHBondContact CA-OH 3.23Å; M170-Y207 WeakPolarHBondContact CB-OH 3.49Å; M170-Y207 HydrophobicContact CE-CD1 4.11Å; M170-Y207 HydrophobicContact CE-CD2 4.33Å; M170-Y207 HydrophobicContact CE-CE1 3.41Å; M170-Y207 VanDerWaalsContact CE-CE1 3.41Å; M170-Y207 HydrophobicContact CE-CE2 3.65Å; M170-Y207 VanDerWaalsContact CE-OH 3.28Å; M170-Y207 WeakPolarHBondContact CE-OH 3.26Å; M170-Y207 PolarHBondContact N-OH 2.68Å; M170-Y207 HydrophobicContact SD-CD1 4.41Å; M170-Y207 HydrophobicContact SD-CE1 3.47Å; M170-Y207 WeakPolarHBondContact SD-CE1 3.27Å; M170-Y207 PolarHBondContact SD-OH 2.98Å; Y207-T209 PolarHBondContact O-N 2.84Å; Y207-S219 CarbonylContact O-C 3.59Å; Y207-S219 WeakPolarHBondContact O-CA 3.38Å; Y207-T220 WeakPolarHBondContact CD2-O 3.39Å; Y207-T220 PolarHBondContact N-O 3.05Å; Y207-T220 PolarHBondContact O-N 3.45Å; Y207-R222 HydrophobicContact CD2-CB 3.5Å; Y207-R222 VanDerWaalsContact CD2-CB 3.5Å; Y207-R222 HydrophobicContact CE2-CB 3.58Å; Y207-R222 HydrophobicContact CE2-CG 4.43Å; Y207-R222 HydrophobicContact CG-CB 4.28Å; Y207-M279 HydrophobicContact CD2-CE 4.3Å; Y207-M279 HydrophobicContact CE2-CE 4Å
208	R	87.4	Confident	85.4	Confident	200 Å²	200	42.4 Å²	42.4	76%	0.755	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	131.8	167.8	-173.4	-176.7	-177.7	-158.1	0.5	109.2	E210	R208-E210 PolarHBondContact O-N 2.78Å
209	T	84.1	Confident	85	Confident	10 Å²	10	42.6 Å²	42.6	6%	0.061	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-68.9	126.6	172	-57.7	0	0	0	0	110.5	Y207 S211 T215 G218 S219 T220	Y207-T209 PolarHBondContact O-N 2.84Å; T209-S211 VanDerWaalsContact C-N 3.31Å; T209-T215 WeakPolarHBondContact CB-O 3.42Å; T209-T215 VanDerWaalsContact CG2-O 3.32Å; T209-T215 WeakPolarHBondContact CG2-O 3.41Å; T209-G218 WeakPolarHBondContact CB-O 3.39Å; T209-G218 PolarHBondContact N-O 3.48Å; T209-G218 PolarHBondContact OG1-O 3.32Å; T209-G218 VanDerWaalsContact OG1-O 3.13Å; T209-S219 PolarHBondContact OG1-N 3.37Å; T209-T220 PolarHBondContact OG1-OG1 2.89Å
210	E	77.9	Confident	84.8	Confident	165 Å²	165	42.9 Å²	42.9	77%	0.771	23%	0.229	S	C	*	.			trans	-84.8	-0.3	-179.3	-68.6	168.7	-150.2	0	0	113.4	R208 R222	R208-E210 PolarHBondContact O-N 2.78Å; E210-R222 IonicContact OE1-NH2 3.25Å
211	S	73.3	Confident	84.7	Confident	47 Å²	47	42.9 Å²	42.9	33%	0.329	23%	0.229	S	C	.	.			trans	-71.8	145.2	179.8	-175.1	0	0	0	0	112.6	T209 G213 T215 A216	T209-S211 VanDerWaalsContact C-N 3.31Å; S211-G213 PolarHBondContact OG-N 3.34Å; S211-T215 VanDerWaalsContact CB-OG1 3.24Å; S211-T215 WeakPolarHBondContact CB-OG1 3.47Å; S211-T215 PolarHBondContact OG-OG1 2.88Å; S211-A216 WeakPolarHBondContact O-CA 3.35Å; S211-A216 VanDerWaalsContact O-CB 3.25Å; S211-A216 WeakPolarHBondContact O-CB 3.05Å
212	L	67	Low	84.6	Confident	171 Å²	171	44.9 Å²	44.9	90%	0.895	24%	0.237	S	C	*	.	S	Bend	trans	-96.2	-0.1	166.2	-61.6	177.5	0	0	0	112.8
213	G	69.3	Low	84.6	Confident	29 Å²	29	43 Å²	43	30%	0.299	23%	0.227	S	C	.	.	S	Bend	trans	-87.7	-154	-178.9	0	0	0	0	0	114	S211 T215 A216	S211-G213 PolarHBondContact OG-N 3.34Å; G213-T215 PolarHBondContact O-N 2.88Å; G213-A216 WeakPolarHBondContact O-CB 3.25Å; G213-A216 PolarHBondContact O-N 2.91Å
214	P	65.4	Low	84.7	Confident	106 Å²	106	43 Å²	43	69%	0.688	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.2	-177	-25.6	34.8	0	0	0	115.8
215	T	74.9	Confident	84.8	Confident	30 Å²	30	44.6 Å²	44.6	18%	0.184	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	5.7	177.9	57.2	0	0	0	0	112.8	R155 V157 T209 S211 G213 G217 G218	R155-T215 HydrophobicContact CB-CG2 4.41Å; V157-T215 HydrophobicContact CG1-CG2 3.7Å; T209-T215 WeakPolarHBondContact CB-O 3.42Å; T209-T215 VanDerWaalsContact CG2-O 3.32Å; T209-T215 WeakPolarHBondContact CG2-O 3.41Å; S211-T215 VanDerWaalsContact CB-OG1 3.24Å; S211-T215 WeakPolarHBondContact CB-OG1 3.47Å; S211-T215 PolarHBondContact OG-OG1 2.88Å; G213-T215 PolarHBondContact O-N 2.88Å; T215-G217 PolarHBondContact O-N 2.95Å; T215-G218 WeakPolarHBondContact O-CA 3.24Å; T215-G218 PolarHBondContact O-N 2.94Å
216	A	72.7	Confident	84.9	Confident	14 Å²	14	45.1 Å²	45.1	12%	0.116	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	137.4	176.6	0	0	0	0	0	111.4	G154 S211 G213 G218	G154-A216 WeakPolarHBondContact CA-O 3.44Å; S211-A216 WeakPolarHBondContact O-CA 3.35Å; S211-A216 VanDerWaalsContact O-CB 3.25Å; S211-A216 WeakPolarHBondContact O-CB 3.05Å; G213-A216 WeakPolarHBondContact O-CB 3.25Å; G213-A216 PolarHBondContact O-N 2.91Å; A216-G218 PolarHBondContact O-N 2.71Å
217	G	73.9	Confident	85.2	Confident	13 Å²	13	45.6 Å²	45.6	13%	0.134	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	9.3	-173.3	0	0	0	0	0	114.2	G154 T215	G154-G217 PolarHBondContact N-O 3.14Å; G154-G217 VanDerWaalsContact N-O 3.14Å; T215-G217 PolarHBondContact O-N 2.95Å
218	G	80.3	Confident	85.5	Confident	3 Å²	3	46 Å²	46	3%	0.031	24%	0.244	C	C	.	.			trans	-83.1	-177.5	179.1	0	0	0	0	0	114.8	T209 T215 A216	T209-G218 WeakPolarHBondContact CB-O 3.39Å; T209-G218 PolarHBondContact N-O 3.48Å; T209-G218 PolarHBondContact OG1-O 3.32Å; T209-G218 VanDerWaalsContact OG1-O 3.13Å; T215-G218 WeakPolarHBondContact O-CA 3.24Å; T215-G218 PolarHBondContact O-N 2.94Å; A216-G218 PolarHBondContact O-N 2.71Å
219	S	90.4	Very high	85.9	Confident	7 Å²	7	39.6 Å²	39.6	5%	0.049	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.4	179.3	-75.6	0	0	0	0	111	P156 V157 Y207 T209 F321	P156-S219 VanDerWaalsContact CA-O 3.3Å; P156-S219 WeakPolarHBondContact CA-O 3.29Å; V157-S219 PolarHBondContact N-O 2.93Å; Y207-S219 CarbonylContact O-C 3.59Å; Y207-S219 WeakPolarHBondContact O-CA 3.38Å; T209-S219 PolarHBondContact OG1-N 3.37Å; S219-F321 WeakPolarHBondContact OG-CE2 3.44Å
220	T	94.7	Very high	86.5	Confident	5 Å²	5	41 Å²	41	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.5	-177.5	-61.1	0	0	0	0	110.8	V157 Q159 Y207 T209 R222	V157-T220 HydrophobicContact CG2-CG2 4.12Å; V157-T220 WeakPolarHBondContact CG2-OG1 3.31Å; V157-T220 CarbonylContact O-C 3.51Å; V157-T220 VanDerWaalsContact O-CA 3.31Å; V157-T220 WeakPolarHBondContact O-CA 3.39Å; Q159-T220 HydrophobicContact CB-CG2 3.46Å; Q159-T220 VanDerWaalsContact CB-CG2 3.46Å; Q159-T220 HydrophobicContact CG-CG2 4.5Å; Y207-T220 WeakPolarHBondContact CD2-O 3.39Å; Y207-T220 PolarHBondContact N-O 3.05Å; Y207-T220 PolarHBondContact O-N 3.45Å; T209-T220 PolarHBondContact OG1-OG1 2.89Å; T220-R222 HydrophobicContact CG2-CB 4.36Å; T220-R222 PolarHBondContact O-N 2.72Å
221	F	97.1	Very high	87.4	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	105.4	169.3	-63.4	-92.1	0	0	0	108.2	P156 V157 S158 Q159 P206 V272 F275 Y276 M279 E313 F321	P156-F221 HydrophobicContact CB-CE2 4.1Å; V157-F221 PolarHBondContact O-N 3.3Å; S158-F221 CarbonylContact C-O 3.49Å; S158-F221 VanDerWaalsContact CA-O 3.3Å; S158-F221 WeakPolarHBondContact CA-O 3.43Å; Q159-F221 PolarHBondContact N-O 2.74Å; P206-F221 HydrophobicContact CB-CD1 4.32Å; P206-F221 HydrophobicContact CB-CD2 4.44Å; P206-F221 HydrophobicContact CB-CE1 4.18Å; P206-F221 HydrophobicContact CB-CE2 4.3Å; P206-F221 HydrophobicContact CB-CG 4.45Å; P206-F221 HydrophobicContact CB-CZ 4.18Å; P206-F221 HydrophobicContact CG-CE1 4.45Å; P206-F221 HydrophobicContact CG-CZ 4.26Å; F221-V272 HydrophobicContact CD2-CB 4.46Å; F221-V272 HydrophobicContact CD2-CG1 3.69Å; F221-V272 HydrophobicContact CD2-CG2 4.33Å; F221-V272 HydrophobicContact CE1-CG1 4.46Å; F221-V272 HydrophobicContact CE2-CG1 3.54Å; F221-V272 HydrophobicContact CG-CG1 4.22Å; F221-V272 HydrophobicContact CZ-CG1 3.96Å; F221-F275 HydrophobicContact CB-CB 3.71Å; F221-F275 VanDerWaalsContact O-CD1 3.25Å; F221-F275 WeakPolarHBondContact O-CD1 3.33Å; F221-Y276 HydrophobicContact CD1-CD2 4.42Å; F221-Y276 HydrophobicContact CE1-CD2 4.1Å; F221-Y276 HydrophobicContact CE1-CG 4.41Å; F221-M279 HydrophobicContact CB-SD 4.15Å; F221-M279 HydrophobicContact CD1-SD 4.11Å; F221-E313 HydrophobicContact CE1-CG 4.28Å; F221-F321 HydrophobicContact CE2-CD2 4.27Å; F221-F321 HydrophobicContact CZ-CD2 4.35Å
222	R	96.5	Very high	88.4	Confident	43 Å²	43	33.1 Å²	33.1	16%	0.162	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.8	-169.5	-172.9	-176.5	-71.2	176.3	1.3	109.9	Q159 V161 I169 Y207 E210 T220 M279	Q159-R222 HydrophobicContact CB-CG 4.46Å; Q159-R222 WeakPolarHBondContact O-CA 3.34Å; Q159-R222 VanDerWaalsContact OE1-CZ 3.31Å; Q159-R222 VanDerWaalsContact OE1-NH2 3.08Å; V161-R222 HydrophobicContact CB-CG 4.32Å; V161-R222 HydrophobicContact CG1-CG 3.64Å; V161-R222 HydrophobicContact CG2-CG 3.67Å; I169-R222 HydrophobicContact CG2-CG 4.15Å; Y207-R222 HydrophobicContact CD2-CB 3.5Å; Y207-R222 VanDerWaalsContact CD2-CB 3.5Å; Y207-R222 HydrophobicContact CE2-CB 3.58Å; Y207-R222 HydrophobicContact CE2-CG 4.43Å; Y207-R222 HydrophobicContact CG-CB 4.28Å; E210-R222 IonicContact OE1-NH2 3.25Å; T220-R222 HydrophobicContact CG2-CB 4.36Å; T220-R222 PolarHBondContact O-N 2.72Å; R222-M279 WeakPolarHBondContact O-CG 3.42Å
223	S	97.9	Very high	89.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	172.5	179.5	-156	0	0	0	0	111.9	Q159 L160 V161 I169 W227 A278	Q159-S223 PolarHBondContact O-N 2.85Å; Q159-S223 VanDerWaalsContact O-N 3.13Å; L160-S223 CarbonylContact C-O 3.58Å; L160-S223 WeakPolarHBondContact CA-O 3.19Å; V161-S223 PolarHBondContact N-O 3.12Å; I169-S223 VanDerWaalsContact CD1-C 3.46Å; I169-S223 VanDerWaalsContact CD1-CA 3.47Å; S223-W227 WeakPolarHBondContact OG-CB 3.37Å; S223-A278 VanDerWaalsContact OG-CB 3.27Å; S223-A278 WeakPolarHBondContact OG-CB 3.46Å
224	S	98.3	Very high	90.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.			trans	-114.8	161.5	-179.8	71.6	0	0	0	0	111.1	V161 T166 Y226 W227 L228	V161-S224 VanDerWaalsContact O-CA 3.31Å; V161-S224 WeakPolarHBondContact O-CA 3.2Å; V161-S224 VanDerWaalsContact O-CB 3.23Å; V161-S224 WeakPolarHBondContact O-CB 3.22Å; T166-S224 VanDerWaalsContact O-CB 3.29Å; T166-S224 WeakPolarHBondContact O-CB 3.38Å; T166-S224 PolarHBondContact O-OG 2.84Å; S224-Y226 PolarHBondContact O-N 2.89Å; S224-Y226 VanDerWaalsContact O-N 3.11Å; S224-Y226 PolarHBondContact OG-N 2.81Å; S224-W227 PolarHBondContact O-N 2.86Å; S224-W227 VanDerWaalsContact O-N 3.1Å; S224-L228 WeakPolarHBondContact O-CG 3.44Å; S224-L228 PolarHBondContact O-N 3.4Å
225	P	98.4	Very high	91.9	Very high	34 Å²	34	32.4 Å²	32.4	22%	0.221	18%	0.18	C	C	.	.	H	α-helix	trans	-51.7	-35.7	173.7	-29	37.3	0	0	0	113.2	L160 M164 L228 T229	L160-P225 HydrophobicContact CD1-CG 3.97Å; L160-P225 HydrophobicContact CD2-CG 4.25Å; L160-P225 HydrophobicContact CG-CG 4.33Å; M164-P225 HydrophobicContact CG-CB 4.21Å; M164-P225 VanDerWaalsContact SD-C 3.56Å; M164-P225 HydrophobicContact SD-CB 3.56Å; M164-P225 VanDerWaalsContact SD-CB 3.56Å; P225-L228 PolarHBondContact O-N 2.72Å; P225-T229 VanDerWaalsContact O-CG2 3.23Å; P225-T229 WeakPolarHBondContact O-CG2 3.39Å; P225-T229 PolarHBondContact O-N 2.89Å
226	Y	98.6	Very high	92.8	Very high	37 Å²	37	31.2 Å²	31.2	15%	0.145	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-49.8	177.5	174.6	-95.1	0	0	0	112.6	R167 S224 T229	R167-Y226 HydrophobicContact CB-CD1 4.28Å; R167-Y226 HydrophobicContact CB-CE1 4.35Å; R167-Y226 HydrophobicContact CG-CD1 3.73Å; R167-Y226 HydrophobicContact CG-CD2 4.17Å; R167-Y226 HydrophobicContact CG-CE1 3.82Å; R167-Y226 HydrophobicContact CG-CE2 4.26Å; R167-Y226 HydrophobicContact CG-CG 3.9Å; R167-Y226 VanDerWaalsContact CZ-CE2 3.48Å; R167-Y226 VanDerWaalsContact NE-CE2 3.31Å; S224-Y226 PolarHBondContact O-N 2.89Å; S224-Y226 VanDerWaalsContact O-N 3.11Å; S224-Y226 PolarHBondContact OG-N 2.81Å; Y226-T229 WeakPolarHBondContact O-CB 3.49Å; Y226-T229 PolarHBondContact O-N 3.39Å; Y226-T229 PolarHBondContact O-OG1 3.07Å
227	W	98.3	Very high	93.8	Very high	12 Å²	12	33.7 Å²	33.7	5%	0.045	19%	0.19	C	C	.	.	H	α-helix	trans	-73.8	-32.3	-178.4	-68.9	119.9	0	0	0	112.2	R167 W174 S223 S224 T229 K230 A278 A281 E282 A285	R167-W227 HydrophobicContact CB-CZ2 4.34Å; R167-W227 VanDerWaalsContact O-CE2 3.27Å; R167-W227 WeakPolarHBondContact O-CZ2 3.38Å; R167-W227 PolarHBondContact O-NE1 3.39Å; W174-W227 HydrophobicContact CZ2-CZ2 4.21Å; S223-W227 WeakPolarHBondContact OG-CB 3.37Å; S224-W227 PolarHBondContact O-N 2.86Å; S224-W227 VanDerWaalsContact O-N 3.1Å; W227-T229 PolarHBondContact O-N 2.91Å; W227-K230 HydrophobicContact CE3-CG 3.91Å; W227-K230 HydrophobicContact CZ3-CG 4.42Å; W227-K230 WeakPolarHBondContact O-CA 3.23Å; W227-K230 WeakPolarHBondContact O-CB 3.23Å; W227-K230 WeakPolarHBondContact O-CG 3.24Å; W227-K230 PolarHBondContact O-N 3.27Å; W227-A278 HydrophobicContact CB-CB 3.97Å; W227-A281 HydrophobicContact CE3-CB 3.98Å; W227-A281 HydrophobicContact CZ3-CB 4.33Å; W227-A281 VanDerWaalsContact CZ3-O 3.31Å; W227-A281 WeakPolarHBondContact CZ3-O 3.22Å; W227-E282 HydrophobicContact CD2-CB 3.88Å; W227-E282 HydrophobicContact CD2-CG 4.47Å; W227-E282 HydrophobicContact CE3-CB 4.27Å; W227-E282 HydrophobicContact CG-CB 4.36Å; W227-E282 HydrophobicContact CH2-CB 4.33Å; W227-E282 HydrophobicContact CH2-CG 4.49Å; W227-E282 HydrophobicContact CZ2-CB 3.9Å; W227-E282 HydrophobicContact CZ2-CG 3.75Å; W227-E282 HydrophobicContact CZ3-CB 4.48Å; W227-A285 HydrophobicContact CH2-CB 3.46Å; W227-A285 VanDerWaalsContact CH2-CB 3.46Å; W227-A285 HydrophobicContact CZ2-CB 4.4Å; W227-A285 HydrophobicContact CZ3-CB 4.1Å
228	L	98.1	Very high	94.8	Very high	41 Å²	41	35.3 Å²	35.3	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-30	172.1	-67.9	174	0	0	0	112.1	L160 S224 P225 K230 V231 T274 F275 A278	L160-L228 HydrophobicContact CD1-CD1 3.46Å; L160-L228 VanDerWaalsContact CD1-CD1 3.46Å; S224-L228 WeakPolarHBondContact O-CG 3.44Å; S224-L228 PolarHBondContact O-N 3.4Å; P225-L228 PolarHBondContact O-N 2.72Å; L228-K230 PolarHBondContact O-N 3.14Å; L228-K230 VanDerWaalsContact O-N 3.09Å; L228-V231 PolarHBondContact O-N 3.32Å; L228-T274 HydrophobicContact CD2-CG2 3.71Å; L228-F275 HydrophobicContact CD1-CE1 4.47Å; L228-F275 HydrophobicContact CD1-CE2 4.16Å; L228-F275 HydrophobicContact CD1-CZ 3.92Å; L228-F275 HydrophobicContact CD2-CD2 4.04Å; L228-F275 HydrophobicContact CD2-CE2 4.06Å; L228-F275 HydrophobicContact CD2-CG 4.38Å; L228-F275 HydrophobicContact CD2-CZ 4.37Å; L228-A278 HydrophobicContact CD2-CB 3.96Å
229	T	97.3	Very high	95.5	Very high	64 Å²	64	36.1 Å²	36.1	39%	0.393	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.1	171.4	75.8	0	0	0	0	113.8	R53 M164 P225 Y226 W227 V231	R53-T229 PolarHBondContact NH2-O 3.46Å; M164-T229 HydrophobicContact CE-CG2 3.78Å; M164-T229 HydrophobicContact SD-CG2 4.17Å; P225-T229 VanDerWaalsContact O-CG2 3.23Å; P225-T229 WeakPolarHBondContact O-CG2 3.39Å; P225-T229 PolarHBondContact O-N 2.89Å; Y226-T229 WeakPolarHBondContact O-CB 3.49Å; Y226-T229 PolarHBondContact O-N 3.39Å; Y226-T229 PolarHBondContact O-OG1 3.07Å; W227-T229 PolarHBondContact O-N 2.91Å; T229-V231 VanDerWaalsContact C-N 3.28Å
230	K	96.6	Very high	95.7	Very high	39 Å²	39	42.9 Å²	42.9	17%	0.17	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9	176.6	-49.4	-51.4	174.9	-168.2	0	112.3	V52 R53 W227 L228 A281	V52-K230 CarbonylContact C-O 3.59Å; V52-K230 WeakPolarHBondContact CA-O 3.4Å; R53-K230 HydrophobicContact CB-CB 4.4Å; R53-K230 PolarHBondContact N-O 3.28Å; W227-K230 HydrophobicContact CE3-CG 3.91Å; W227-K230 HydrophobicContact CZ3-CG 4.42Å; W227-K230 WeakPolarHBondContact O-CA 3.23Å; W227-K230 WeakPolarHBondContact O-CB 3.23Å; W227-K230 WeakPolarHBondContact O-CG 3.24Å; W227-K230 PolarHBondContact O-N 3.27Å; L228-K230 PolarHBondContact O-N 3.14Å; L228-K230 VanDerWaalsContact O-N 3.09Å; K230-A281 HydrophobicContact CB-CB 3.8Å; K230-A281 HydrophobicContact CG-CB 4.14Å
231	V	96.7	Very high	95.8	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.079	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-109	128.4	-178.6	-172.3	0	0	0	0	109.4	V51 V52 L228 T229 S233 V236 T274 Y277 A278	V51-V231 CarbonylContact O-C 3.59Å; V51-V231 WeakPolarHBondContact O-CA 3.45Å; V51-V231 VanDerWaalsContact O-CG1 3.23Å; V51-V231 WeakPolarHBondContact O-CG1 3.44Å; V52-V231 HydrophobicContact CG2-CG2 4.4Å; L228-V231 PolarHBondContact O-N 3.32Å; T229-V231 VanDerWaalsContact C-N 3.28Å; V231-S233 PolarHBondContact O-N 3.39Å; V231-V236 HydrophobicContact CG1-CG2 3.93Å; V231-T274 HydrophobicContact CB-CG2 4.2Å; V231-T274 HydrophobicContact CG1-CG2 3.86Å; V231-Y277 HydrophobicContact CG1-CD2 4.18Å; V231-A278 HydrophobicContact CG2-CB 3.86Å
232	S	95.1	Very high	95.7	Very high	35 Å²	35	47.7 Å²	47.7	25%	0.245	25%	0.252	C	S	.	.			trans	-81.5	89.7	168.5	-95.8	0	0	0	0	108.2	K50 V51 E234 L235	K50-S232 WeakPolarHBondContact O-CB 3.18Å; V51-S232 PolarHBondContact O-N 3.32Å; S232-E234 WeakPolarHBondContact CA-OE2 3.43Å; S232-E234 WeakPolarHBondContact CB-OE1 3.22Å; S232-E234 PolarHBondContact O-N 3.1Å; S232-E234 PolarHBondContact OG-OE1 2.91Å; S232-L235 PolarHBondContact O-N 3.09Å
233	S	89.3	Confident	95.6	Very high	73 Å²	73	49.8 Å²	49.8	51%	0.51	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.2	-27.5	-174.9	56.4	0	0	0	0	113	V231 L235 V236	V231-S233 PolarHBondContact O-N 3.39Å; S233-L235 PolarHBondContact O-N 2.87Å; S233-V236 PolarHBondContact O-N 2.77Å
234	E	91.6	Very high	95.4	Very high	134 Å²	134	52 Å²	52	63%	0.626	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-65.9	-23	174	72.9	-72.7	175.9	0	0	113.7	S232	S232-E234 WeakPolarHBondContact CA-OE2 3.43Å; S232-E234 WeakPolarHBondContact CB-OE1 3.22Å; S232-E234 PolarHBondContact O-N 3.1Å; S232-E234 PolarHBondContact OG-OE1 2.91Å
235	L	93.4	Very high	95.3	Very high	83 Å²	83	57.1 Å²	57.1	44%	0.435	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-95.6	-4.4	177.8	-59.2	-178.3	0	0	0	112.8	K50 V51 S232 S233 S237	K50-L235 HydrophobicContact CB-CD1 3.43Å; K50-L235 VanDerWaalsContact CB-CD1 3.43Å; V51-L235 HydrophobicContact CB-CB 4.34Å; V51-L235 HydrophobicContact CG2-CB 4.23Å; S232-L235 PolarHBondContact O-N 3.09Å; S233-L235 PolarHBondContact O-N 2.87Å; L235-S237 PolarHBondContact O-N 3.3Å
236	V	94.1	Very high	95.2	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.036	34%	0.338	C	S	.	.			trans	-75	108.1	178.4	179.7	0	0	0	0	109.5	V51 V231 S233 K270 R273 Y277	V51-V236 HydrophobicContact CG2-CB 4.48Å; V51-V236 HydrophobicContact CG2-CG2 3.6Å; V231-V236 HydrophobicContact CG1-CG2 3.93Å; S233-V236 PolarHBondContact O-N 2.77Å; V236-K270 HydrophobicContact CG1-CG 4.5Å; V236-R273 HydrophobicContact CG1-CB 3.58Å; V236-Y277 HydrophobicContact CG1-CE2 4.29Å; V236-Y277 HydrophobicContact CG2-CD2 4.04Å; V236-Y277 HydrophobicContact CG2-CE2 4.12Å
237	S	92.6	Very high	95.1	Very high	66 Å²	66	57.9 Å²	57.9	46%	0.462	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-75	151.4	178.5	59.6	0	0	0	0	112.6	L235 R273	L235-S237 PolarHBondContact O-N 3.3Å; S237-R273 WeakPolarHBondContact O-CD 3.25Å; S237-R273 PolarHBondContact O-NE 3.47Å; S237-R273 PolarHBondContact OG-NH2 3.15Å
238	V	95.5	Very high	95.1	Very high	46 Å²	46	58.1 Å²	58.1	28%	0.279	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-91	119.7	163.3	-179.6	0	0	0	0	107.3	E266 I269 K270	V238-E266 HydrophobicContact CG1-CG 4.44Å; V238-E266 HydrophobicContact CG2-CB 4.07Å; V238-E266 HydrophobicContact CG2-CG 4.28Å; V238-I269 HydrophobicContact CG1-CB 4.47Å; V238-I269 HydrophobicContact CG1-CD1 3.99Å; V238-I269 HydrophobicContact CG1-CG2 4.09Å; V238-K270 HydrophobicContact CG2-CD 4.19Å; V238-K270 HydrophobicContact CG2-CG 3.73Å
239	P	95.1	Very high	94.9	Very high	20 Å²	20	59.6 Å²	59.6	13%	0.13	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-65.3	146.9	178.6	26.9	-34.6	0	0	0	111.7	I269 M316 E317	P239-I269 HydrophobicContact CG-CG2 4.21Å; P239-M316 HydrophobicContact CG-CB 4.37Å; P239-M316 VanDerWaalsContact CG-O 3.25Å; P239-M316 WeakPolarHBondContact CG-O 3.47Å; P239-E317 HydrophobicContact CB-CB 4.41Å; P239-E317 HydrophobicContact CB-CG 3.7Å; P239-E317 HydrophobicContact CG-CG 4.2Å
240	K	95.3	Very high	94.9	Very high	150 Å²	150	57 Å²	57	65%	0.652	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-77.3	139.2	171.9	-67.3	175	-176.8	172	0	109.5	L443	K240-L443 HydrophobicContact CB-CD1 3.76Å
241	W	95.6	Very high	95	Very high	52 Å²	52	56 Å²	56	20%	0.197	33%	0.331	C	S	.	.			trans	-117.8	141.5	176.6	-62.8	-18.7	0	0	0	111	F264 I269 M316 R319	W241-F264 HydrophobicContact CH2-CB 3.91Å; W241-F264 AromaticContact CH2-CD2 3.95Å; W241-F264 HydrophobicContact CH2-CD2 3.95Å; W241-F264 HydrophobicContact CH2-CG 4.08Å; W241-F264 HydrophobicContact CZ3-CB 4.32Å; W241-F264 HydrophobicContact CZ3-CD2 4.35Å; W241-I269 HydrophobicContact CH2-CD1 3.54Å; W241-I269 HydrophobicContact CH2-CG1 4.06Å; W241-I269 HydrophobicContact CZ2-CD1 3.72Å; W241-I269 HydrophobicContact CZ2-CG1 4.15Å; W241-I269 HydrophobicContact CZ3-CD1 4.18Å; W241-M316 VanDerWaalsContact CE2-O 3.26Å; W241-M316 HydrophobicContact CH2-CE 4.09Å; W241-M316 HydrophobicContact CZ2-CB 4.29Å; W241-M316 HydrophobicContact CZ2-CE 4.03Å; W241-M316 VanDerWaalsContact CZ2-O 3.31Å; W241-M316 WeakPolarHBondContact CZ2-O 3.48Å; W241-M316 PolarHBondContact NE1-O 2.55Å; W241-R319 VanDerWaalsContact CD1-N 3.25Å; W241-R319 HydrophobicContact CD2-CB 3.71Å; W241-R319 HydrophobicContact CD2-CG 4.06Å; W241-R319 HydrophobicContact CE3-CB 3.97Å; W241-R319 HydrophobicContact CE3-CG 3.79Å; W241-R319 VanDerWaalsContact CE3-CZ 3.46Å; W241-R319 HydrophobicContact CG-CB 3.98Å; W241-R319 HydrophobicContact CH2-CG 4.13Å; W241-R319 HydrophobicContact CZ2-CB 4.38Å; W241-R319 HydrophobicContact CZ2-CG 4.41Å; W241-R319 HydrophobicContact CZ3-CB 4.39Å; W241-R319 HydrophobicContact CZ3-CG 3.83Å; W241-R319 VanDerWaalsContact NE1-N 3.17Å
242	L	95.4	Very high	95	Very high	54 Å²	54	59.8 Å²	59.8	28%	0.283	34%	0.344	S	S	.	.			trans	-64.6	147.9	163.5	-67.5	176.2	0	0	0	109.9	M247 L443	L242-M247 HydrophobicContact CB-CG 4.35Å; L242-M247 WeakPolarHBondContact O-CE 3.21Å; L242-L443 HydrophobicContact CD2-CB 4.37Å; L242-L443 HydrophobicContact CG-CD2 4.34Å
243	P	94.8	Very high	95.1	Very high	87 Å²	87	58.8 Å²	58.8	57%	0.565	34%	0.335	S	S	*	.			trans	-56.6	143.8	164	-21.6	32.7	0	0	0	110.5	A245 A246 M247	P243-A245 PolarHBondContact O-N 2.92Å; P243-A245 VanDerWaalsContact O-N 3.12Å; P243-A246 PolarHBondContact O-N 2.87Å; P243-M247 PolarHBondContact O-N 3.23Å
244	M	94.4	Very high	95.4	Very high	47 Å²	47	55.5 Å²	55.5	23%	0.232	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-53.4	-37.1	-179.3	-70	-66.8	-73	0	0	112.9	A246 M247 Y252 T255 R319	M244-A246 PolarHBondContact O-N 2.9Å; M244-M247 HydrophobicContact CE-SD 4.47Å; M244-M247 WeakPolarHBondContact O-CB 3.46Å; M244-M247 PolarHBondContact O-N 2.89Å; M244-M247 HydrophobicContact SD-CE 3.84Å; M244-M247 HydrophobicContact SD-SD 3.56Å; M244-Y252 HydrophobicContact CE-CD2 3.46Å; M244-Y252 VanDerWaalsContact CE-CD2 3.46Å; M244-Y252 HydrophobicContact CE-CE2 3.38Å; M244-Y252 HydrophobicContact CE-CG 4.4Å; M244-T255 HydrophobicContact CE-CG2 3.87Å; M244-T255 HydrophobicContact SD-CG2 3.84Å; M244-R319 VanDerWaalsContact SD-CD 3.52Å
245	A	95.3	Very high	95.7	Very high	107 Å²	107	49.1 Å²	49.1	88%	0.884	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-68.9	-17.6	178.5	0	0	0	0	0	114.4	P243	P243-A245 PolarHBondContact O-N 2.92Å; P243-A245 VanDerWaalsContact O-N 3.12Å
246	A	95.8	Very high	95.8	Very high	63 Å²	63	47.2 Å²	47.2	52%	0.521	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-100.1	-2.9	177.5	0	0	0	0	0	112.7	P243 M244	P243-A246 PolarHBondContact O-N 2.87Å; M244-A246 PolarHBondContact O-N 2.9Å
247	M	96.8	Very high	95.8	Very high	23 Å²	23	46.9 Å²	46.9	11%	0.113	27%	0.269	C	S	.	.	S	Bend	trans	-71	146.4	178.3	-69.6	-176.1	172.9	0	0	111.1	L242 P243 M244 R319	L242-M247 HydrophobicContact CB-CG 4.35Å; L242-M247 WeakPolarHBondContact O-CE 3.21Å; P243-M247 PolarHBondContact O-N 3.23Å; M244-M247 HydrophobicContact CE-SD 4.47Å; M244-M247 WeakPolarHBondContact O-CB 3.46Å; M244-M247 PolarHBondContact O-N 2.89Å; M244-M247 HydrophobicContact SD-CE 3.84Å; M244-M247 HydrophobicContact SD-SD 3.56Å; M247-R319 HydrophobicContact CE-CB 3.78Å
248	H	97.6	Very high	95.9	Very high	18 Å²	18	43.8 Å²	43.8	8%	0.083	25%	0.247	C	C	.	.			trans	-62.4	145.3	167.3	-174.4	-106.8	0	0	0	110.1	V250 D251 Y252 Y423 V429 P430 Q432	H248-V250 VanDerWaalsContact C-N 3.25Å; H248-V250 PolarHBondContact ND1-N 3.42Å; H248-V250 PolarHBondContact O-N 2.89Å; H248-V250 VanDerWaalsContact O-N 3.16Å; H248-D251 HydrophobicContact CB-CB 4.32Å; H248-D251 WeakPolarHBondContact CB-OD2 3.41Å; H248-D251 WeakPolarHBondContact O-CB 3.37Å; H248-D251 PolarHBondContact O-N 2.99Å; H248-Y252 PolarHBondContact O-N 3.17Å; H248-Y423 AromaticContact CE1-CD2 3.75Å; H248-Y423 AromaticContact CE1-CE2 3.38Å; H248-Y423 WeakPolarHBondContact CE1-CE2 3.02Å; H248-Y423 AromaticContact CE1-CZ 3.72Å; H248-Y423 AromaticContact ND1-CZ 3.98Å; H248-V429 VanDerWaalsContact CE1-CG1 3.45Å; H248-V429 WeakPolarHBondContact CE1-CG1 3.37Å; H248-P430 PolarHBondContact NE2-O 3.3Å; H248-Q432 HydrophobicContact CB-CG 4.41Å; H248-Q432 VanDerWaalsContact CG-CD 3.49Å; H248-Q432 PolarHBondContact ND1-OE1 3.49Å
249	P	95.9	Very high	95.8	Very high	72 Å²	72	42.1 Å²	42.1	47%	0.468	24%	0.236	S	C	.	.	H	α-helix	trans	-57	-34.5	-175.3	-29	37	0	0	0	114.7	Y253	P249-Y253 WeakPolarHBondContact O-CB 2.99Å; P249-Y253 PolarHBondContact O-N 2.97Å
250	V	96.8	Very high	95.8	Very high	8 Å²	8	41.1 Å²	41.1	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-71.2	-38.4	177.2	-178.8	0	0	0	0	111.2	H248 Y253 S254 A408 Y423 V429	H248-V250 VanDerWaalsContact C-N 3.25Å; H248-V250 PolarHBondContact ND1-N 3.42Å; H248-V250 PolarHBondContact O-N 2.89Å; H248-V250 VanDerWaalsContact O-N 3.16Å; V250-Y253 PolarHBondContact O-N 3.31Å; V250-S254 PolarHBondContact O-N 3.46Å; V250-A408 HydrophobicContact CG2-CB 4.13Å; V250-Y423 HydrophobicContact CB-CD1 4.41Å; V250-Y423 HydrophobicContact CB-CE1 3.94Å; V250-Y423 HydrophobicContact CG1-CD1 4.39Å; V250-Y423 HydrophobicContact CG1-CE1 3.87Å; V250-Y423 HydrophobicContact CG2-CD1 3.75Å; V250-Y423 HydrophobicContact CG2-CE1 3.78Å; V250-Y423 HydrophobicContact CG2-CG 4.32Å; V250-V429 HydrophobicContact CG2-CG1 3.86Å
251	D	97.4	Very high	95.7	Very high	18 Å²	18	35.9 Å²	35.9	10%	0.096	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-42	176.9	-64.4	-32.2	0	0	0	111	H248 Y253 S254 T255 F327 Q432	H248-D251 HydrophobicContact CB-CB 4.32Å; H248-D251 WeakPolarHBondContact CB-OD2 3.41Å; H248-D251 WeakPolarHBondContact O-CB 3.37Å; H248-D251 PolarHBondContact O-N 2.99Å; D251-Y253 VanDerWaalsContact C-N 3.34Å; D251-Y253 PolarHBondContact O-N 3.4Å; D251-S254 PolarHBondContact O-N 2.98Å; D251-T255 WeakPolarHBondContact O-CB 3.37Å; D251-T255 PolarHBondContact O-N 3.42Å; D251-T255 PolarHBondContact O-OG1 2.84Å; D251-F327 WeakPolarHBondContact OD1-CE2 3.22Å; D251-F327 WeakPolarHBondContact OD2-CZ 3.4Å; D251-Q432 PolarHBondContact OD2-NE2 2.98Å; D251-Q432 VanDerWaalsContact OD2-NE2 3.11Å; D251-Q432 PolarHBondContact OD2-OE1 3.39Å
252	Y	97.3	Very high	95.4	Very high	94 Å²	94	35.8 Å²	35.8	37%	0.369	22%	0.22	S	C	.	.	H	α-helix	trans	-57.4	-47.9	172.6	176	-82.9	0	0	0	111.2	L149 M244 H248 S254 T255 F256	L149-Y252 HydrophobicContact CD2-CE1 3.91Å; M244-Y252 HydrophobicContact CE-CD2 3.46Å; M244-Y252 VanDerWaalsContact CE-CD2 3.46Å; M244-Y252 HydrophobicContact CE-CE2 3.38Å; M244-Y252 HydrophobicContact CE-CG 4.4Å; H248-Y252 PolarHBondContact O-N 3.17Å; Y252-S254 VanDerWaalsContact C-N 3.34Å; Y252-S254 PolarHBondContact O-N 3.38Å; Y252-T255 PolarHBondContact O-N 3.03Å; Y252-F256 WeakPolarHBondContact O-CB 3.01Å; Y252-F256 PolarHBondContact O-N 3.44Å
253	Y	96.6	Very high	95.1	Very high	14 Å²	14	39.8 Å²	39.8	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-50.4	177.2	-178.6	-87.3	0	0	0	110.3	L149 P249 V250 D251 T255 F256 T257 N407	L149-Y253 HydrophobicContact CD1-CD2 3.48Å; L149-Y253 VanDerWaalsContact CD1-CD2 3.48Å; L149-Y253 HydrophobicContact CD1-CE2 3.64Å; L149-Y253 HydrophobicContact CD1-CG 4.32Å; P249-Y253 WeakPolarHBondContact O-CB 2.99Å; P249-Y253 PolarHBondContact O-N 2.97Å; V250-Y253 PolarHBondContact O-N 3.31Å; D251-Y253 VanDerWaalsContact C-N 3.34Å; D251-Y253 PolarHBondContact O-N 3.4Å; Y253-T255 PolarHBondContact O-N 3Å; Y253-F256 PolarHBondContact O-N 2.94Å; Y253-F256 VanDerWaalsContact O-N 3.15Å; Y253-T257 HydrophobicContact CD1-CG2 3.84Å; Y253-T257 HydrophobicContact CD2-CG2 4.34Å; Y253-T257 HydrophobicContact CE1-CG2 3.44Å; Y253-T257 VanDerWaalsContact CE1-CG2 3.44Å; Y253-T257 HydrophobicContact CE2-CG2 4Å; Y253-T257 HydrophobicContact CG-CG2 4.28Å; Y253-T257 WeakPolarHBondContact O-CG2 3.21Å; Y253-T257 PolarHBondContact O-N 3.26Å; Y253-T257 PolarHBondContact O-OG1 2.94Å; Y253-N407 HydrophobicContact CD1-CB 3.85Å; Y253-N407 HydrophobicContact CD2-CB 3.62Å; Y253-N407 HydrophobicContact CE1-CB 3.97Å; Y253-N407 HydrophobicContact CE2-CB 3.75Å; Y253-N407 HydrophobicContact CG-CB 3.67Å
254	S	96.7	Very high	95.1	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-44.8	179.7	-154.7	0	0	0	0	112.4	V250 D251 Y252 F256 T257 K258 Q320 N405	V250-S254 PolarHBondContact O-N 3.46Å; D251-S254 PolarHBondContact O-N 2.98Å; Y252-S254 VanDerWaalsContact C-N 3.34Å; Y252-S254 PolarHBondContact O-N 3.38Å; S254-F256 VanDerWaalsContact C-N 3.31Å; S254-F256 PolarHBondContact O-N 3.45Å; S254-T257 PolarHBondContact O-N 2.77Å; S254-T257 PolarHBondContact O-OG1 3.32Å; S254-K258 WeakPolarHBondContact O-CB 3.48Å; S254-K258 WeakPolarHBondContact O-CD 3.48Å; S254-K258 WeakPolarHBondContact O-CG 3.33Å; S254-K258 PolarHBondContact O-N 3.02Å; S254-K258 WeakPolarHBondContact OG-CE 3.49Å; S254-K258 PolarHBondContact OG-NZ 3.39Å; S254-K258 VanDerWaalsContact OG-NZ 3.11Å; S254-Q320 PolarHBondContact OG-OE1 3.41Å; S254-N405 WeakPolarHBondContact CA-O 3.23Å; S254-N405 VanDerWaalsContact CB-O 3.27Å; S254-N405 WeakPolarHBondContact CB-O 3.46Å; S254-N405 PolarHBondContact OG-O 3.21Å
255	T	96.8	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-43.5	174.2	-75.1	0	0	0	0	111.7	M244 D251 Y252 Y253 C260 S261 R319 Q320	M244-T255 HydrophobicContact CE-CG2 3.87Å; M244-T255 HydrophobicContact SD-CG2 3.84Å; D251-T255 WeakPolarHBondContact O-CB 3.37Å; D251-T255 PolarHBondContact O-N 3.42Å; D251-T255 PolarHBondContact O-OG1 2.84Å; Y252-T255 PolarHBondContact O-N 3.03Å; Y253-T255 PolarHBondContact O-N 3Å; T255-C260 HydrophobicContact CG2-CB 4.08Å; T255-C260 WeakPolarHBondContact O-CA 3.35Å; T255-C260 WeakPolarHBondContact O-CB 3.3Å; T255-C260 PolarHBondContact O-N 2.74Å; T255-S261 PolarHBondContact O-N 2.9Å; T255-R319 HydrophobicContact CG2-CB 4.26Å; T255-R319 HydrophobicContact CG2-CG 3.81Å; T255-R319 WeakPolarHBondContact CG2-O 3.5Å; T255-R319 PolarHBondContact OG1-O 3.11Å; T255-Q320 WeakPolarHBondContact OG1-CG 3.3Å
256	F	95.8	Very high	95.3	Very high	43 Å²	43	39.2 Å²	39.2	19%	0.189	22%	0.217	C	C	.	.	H	α-helix	trans	-69.4	-51.7	179.3	-171.5	-78	0	0	0	111.7	L149 R151 Y252 Y253 S254 K258 N259	L149-F256 HydrophobicContact CD1-CB 4.16Å; L149-F256 HydrophobicContact CD1-CD1 3.65Å; L149-F256 HydrophobicContact CD1-CE1 4.32Å; L149-F256 HydrophobicContact CD1-CG 4.05Å; L149-F256 HydrophobicContact CD2-CB 4.19Å; L149-F256 HydrophobicContact CD2-CD1 3.81Å; L149-F256 HydrophobicContact CD2-CD2 3.89Å; L149-F256 HydrophobicContact CD2-CE1 4.11Å; L149-F256 HydrophobicContact CD2-CE2 4.18Å; L149-F256 HydrophobicContact CD2-CG 3.68Å; L149-F256 HydrophobicContact CD2-CZ 4.28Å; L149-F256 HydrophobicContact CG-CB 4.41Å; L149-F256 HydrophobicContact CG-CD1 3.38Å; L149-F256 HydrophobicContact CG-CD2 4.38Å; L149-F256 HydrophobicContact CG-CE1 3.61Å; L149-F256 HydrophobicContact CG-CG 3.8Å; L149-F256 HydrophobicContact CG-CZ 4.19Å; R151-F256 HydrophobicContact CG-CD1 4.17Å; R151-F256 HydrophobicContact CG-CE1 3.84Å; R151-F256 HydrophobicContact CG-CZ 4.48Å; R151-F256 WeakPolarHBondContact CG-O 3.21Å; Y252-F256 WeakPolarHBondContact O-CB 3.01Å; Y252-F256 PolarHBondContact O-N 3.44Å; Y253-F256 PolarHBondContact O-N 2.94Å; Y253-F256 VanDerWaalsContact O-N 3.15Å; S254-F256 VanDerWaalsContact C-N 3.31Å; S254-F256 PolarHBondContact O-N 3.45Å; F256-K258 PolarHBondContact O-N 3.09Å; F256-N259 WeakPolarHBondContact O-CA 3.49Å; F256-N259 PolarHBondContact O-N 2.7Å
257	T	94.6	Very high	95.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-28.9	-175.8	61.4	0	0	0	0	112.1	L149 R151 Q152 E153 Y253 S254 N259 N405	L149-T257 HydrophobicContact CD1-CG2 4.03Å; R151-T257 CarbonylContact C-O 3.55Å; Q152-T257 HydrophobicContact CG-CG2 4.32Å; Q152-T257 PolarHBondContact N-O 3.38Å; E153-T257 PolarHBondContact N-O 3.23Å; Y253-T257 HydrophobicContact CD1-CG2 3.84Å; Y253-T257 HydrophobicContact CD2-CG2 4.34Å; Y253-T257 HydrophobicContact CE1-CG2 3.44Å; Y253-T257 VanDerWaalsContact CE1-CG2 3.44Å; Y253-T257 HydrophobicContact CE2-CG2 4Å; Y253-T257 HydrophobicContact CG-CG2 4.28Å; Y253-T257 WeakPolarHBondContact O-CG2 3.21Å; Y253-T257 PolarHBondContact O-N 3.26Å; Y253-T257 PolarHBondContact O-OG1 2.94Å; S254-T257 PolarHBondContact O-N 2.77Å; S254-T257 PolarHBondContact O-OG1 3.32Å; T257-N259 PolarHBondContact O-N 2.87Å; T257-N405 VanDerWaalsContact CB-OD1 3.26Å; T257-N405 WeakPolarHBondContact CB-OD1 3.27Å; T257-N405 WeakPolarHBondContact OG1-CA 3.17Å; T257-N405 WeakPolarHBondContact OG1-CB 3.41Å; T257-N405 PolarHBondContact OG1-OD1 2.88Å
258	K	94.4	Very high	95.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	9.2	171.2	-64.2	170.6	179.2	171.9	0	113.8	S254 F256 C260 Q320 F321 K323 N405	S254-K258 WeakPolarHBondContact O-CB 3.48Å; S254-K258 WeakPolarHBondContact O-CD 3.48Å; S254-K258 WeakPolarHBondContact O-CG 3.33Å; S254-K258 PolarHBondContact O-N 3.02Å; S254-K258 WeakPolarHBondContact OG-CE 3.49Å; S254-K258 PolarHBondContact OG-NZ 3.39Å; S254-K258 VanDerWaalsContact OG-NZ 3.11Å; F256-K258 PolarHBondContact O-N 3.09Å; K258-C260 PolarHBondContact O-N 3.41Å; K258-C260 VanDerWaalsContact O-N 3.16Å; K258-C260 PolarHBondContact O-SG 3.44Å; K258-C260 VanDerWaalsContact O-SG 3.35Å; K258-Q320 HydrophobicContact CD-CB 4.35Å; K258-Q320 HydrophobicContact CD-CG 4.43Å; K258-F321 HydrophobicContact CB-CE1 4.13Å; K258-F321 WeakPolarHBondContact CD-O 3.21Å; K258-F321 PolarHBondContact NZ-O 2.96Å; K258-F321 VanDerWaalsContact O-CE1 3.27Å; K258-F321 WeakPolarHBondContact O-CE1 3.28Å; K258-K323 WeakPolarHBondContact CE-O 3.43Å; K258-K323 PolarHBondContact NZ-O 3.22Å; K258-N405 HydrophobicContact CG-CB 4.22Å
259	N	93.9	Very high	95.2	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.059	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	39.8	-179.1	-165.7	26.1	0	0	0	113.3	R151 E153 R155 F256 T257	R151-N259 HydrophobicContact CB-CB 4.44Å; R151-N259 VanDerWaalsContact CD-CG 3.5Å; R151-N259 WeakPolarHBondContact CD-OD1 3.36Å; R151-N259 HydrophobicContact CG-CB 4.22Å; R151-N259 PolarHBondContact NH1-OD1 3.32Å; E153-N259 WeakPolarHBondContact O-CB 3.23Å; R155-N259 PolarHBondContact N-ND2 2.91Å; F256-N259 WeakPolarHBondContact O-CA 3.49Å; F256-N259 PolarHBondContact O-N 2.7Å; T257-N259 PolarHBondContact O-N 2.87Å
260	C	94.6	Very high	95.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.			trans	-104.2	4.1	176	-66.5	0	0	0	0	112.9	T255 K258 S262 F264 R319 F321	T255-C260 HydrophobicContact CG2-CB 4.08Å; T255-C260 WeakPolarHBondContact O-CA 3.35Å; T255-C260 WeakPolarHBondContact O-CB 3.3Å; T255-C260 PolarHBondContact O-N 2.74Å; K258-C260 PolarHBondContact O-N 3.41Å; K258-C260 VanDerWaalsContact O-N 3.16Å; K258-C260 PolarHBondContact O-SG 3.44Å; K258-C260 VanDerWaalsContact O-SG 3.35Å; C260-S262 VanDerWaalsContact C-N 3.35Å; C260-F264 HydrophobicContact CB-CE2 4.27Å; C260-R319 HydrophobicContact CB-CG 4.32Å; C260-R319 WeakPolarHBondContact CB-O 3.34Å; C260-R319 WeakPolarHBondContact O-CD 3.32Å; C260-R319 WeakPolarHBondContact O-CG 3.41Å; C260-F321 VanDerWaalsContact SG-CD1 3.51Å
261	S	92.8	Very high	95.3	Very high	39 Å²	39	47.6 Å²	47.6	27%	0.273	24%	0.241	S	C	.	.	S	Bend	trans	-74.4	-21.9	-178	56.4	0	0	0	0	114	T255	T255-S261 PolarHBondContact O-N 2.9Å
262	S	88.8	Confident	95.3	Very high	51 Å²	51	46.9 Å²	46.9	36%	0.357	24%	0.237	S	C	.	.	S	Bend	trans	-76.6	170.5	175.8	68.6	0	0	0	0	112	R155 C260 F264 R319	R155-S262 PolarHBondContact NH1-OG 3.47Å; C260-S262 VanDerWaalsContact C-N 3.35Å; S262-F264 WeakPolarHBondContact O-CD2 3.38Å; S262-R319 PolarHBondContact O-NH1 3.22Å; S262-R319 VanDerWaalsContact O-NH1 3.16Å
263	D	90.8	Very high	95.3	Very high	137 Å²	137	42.8 Å²	42.8	73%	0.733	22%	0.221	S	C	*	.			trans	-67.6	142.8	176.8	-62.8	-37.8	0	0	0	111.4	R155	R155-D263 PolarHBondContact NH1-O 3Å; R155-D263 PolarHBondContact NH2-O 3.49Å
264	F	94.6	Very high	95.3	Very high	24 Å²	24	43 Å²	43	11%	0.105	22%	0.224	C	C	.	.			trans	-122.6	134.4	169.6	-74.3	-103.2	0	0	0	107.8	R155 P156 W241 C260 S262 E268 I269 M316	R155-F264 HydrophobicContact CG-CE1 4.14Å; R155-F264 HydrophobicContact CG-CZ 4.1Å; P156-F264 HydrophobicContact CG-CE1 3.94Å; P156-F264 HydrophobicContact CG-CZ 4.14Å; W241-F264 HydrophobicContact CH2-CB 3.91Å; W241-F264 AromaticContact CH2-CD2 3.95Å; W241-F264 HydrophobicContact CH2-CD2 3.95Å; W241-F264 HydrophobicContact CH2-CG 4.08Å; W241-F264 HydrophobicContact CZ3-CB 4.32Å; W241-F264 HydrophobicContact CZ3-CD2 4.35Å; C260-F264 HydrophobicContact CB-CE2 4.27Å; S262-F264 WeakPolarHBondContact O-CD2 3.38Å; F264-E268 WeakPolarHBondContact CA-OE2 3.44Å; F264-E268 HydrophobicContact CD1-CB 4.31Å; F264-I269 HydrophobicContact CB-CD1 3.97Å; F264-I269 HydrophobicContact CB-CG1 3.82Å; F264-M316 HydrophobicContact CD1-CE 3.54Å; F264-M316 HydrophobicContact CD2-CE 4.22Å; F264-M316 HydrophobicContact CE1-CE 3.45Å; F264-M316 VanDerWaalsContact CE1-CE 3.45Å; F264-M316 HydrophobicContact CE1-SD 4.48Å; F264-M316 HydrophobicContact CE2-CE 4.15Å; F264-M316 HydrophobicContact CG-CE 3.93Å; F264-M316 HydrophobicContact CZ-CE 3.76Å
265	T	96.3	Very high	95.4	Very high	76 Å²	76	43.7 Å²	43.7	47%	0.466	23%	0.227	S	C	.	.			trans	-72.7	155.6	170.2	73.3	0	0	0	0	109.8	E267 E268 I269	T265-E267 PolarHBondContact O-N 3.02Å; T265-E268 PolarHBondContact N-OE2 3.01Å; T265-E268 PolarHBondContact O-N 3.09Å; T265-E268 WeakPolarHBondContact OG1-CG 3.26Å; T265-E268 PolarHBondContact OG1-N 3.07Å; T265-E268 VanDerWaalsContact OG1-N 3.08Å; T265-I269 WeakPolarHBondContact O-CG1 3.38Å; T265-I269 PolarHBondContact O-N 3.24Å; T265-I269 VanDerWaalsContact O-N 3.13Å
266	E	96.6	Very high	95.4	Very high	130 Å²	130	43.7 Å²	43.7	61%	0.607	23%	0.227	S	C	*	.	H	α-helix	trans	-57.5	-33.8	172.9	-67.9	-168.6	-179.8	0	0	112	V238 I269 K270	V238-E266 HydrophobicContact CG1-CG 4.44Å; V238-E266 HydrophobicContact CG2-CB 4.07Å; V238-E266 HydrophobicContact CG2-CG 4.28Å; E266-I269 PolarHBondContact O-N 2.03Å; E266-K270 WeakPolarHBondContact O-CB 3.34Å; E266-K270 WeakPolarHBondContact O-CG 3.15Å; E266-K270 PolarHBondContact O-N 2.9Å
267	E	96.3	Very high	95.5	Very high	161 Å²	161	42.4 Å²	42.4	75%	0.752	22%	0.221	S	C	*	.	H	α-helix	trans	-66	-43.4	177.1	-65.3	-176.3	168	0	0	112.1	T265 I269 K270 S271	T265-E267 PolarHBondContact O-N 3.02Å; E267-I269 VanDerWaalsContact C-N 3.32Å; E267-I269 PolarHBondContact O-N 3.19Å; E267-K270 PolarHBondContact O-N 2.91Å; E267-S271 VanDerWaalsContact O-CB 3.23Å; E267-S271 WeakPolarHBondContact O-CB 3.43Å; E267-S271 PolarHBondContact O-N 2.87Å
268	E	95.8	Very high	95.7	Very high	72 Å²	72	42.4 Å²	42.4	34%	0.336	22%	0.221	S	C	.	.	H	α-helix	trans	-60.7	-44.5	175.3	-74.4	175.1	117.9	0	0	111	R155 F264 T265 S271 V272	R155-E268 IonicContact CZ-OE1 3.59Å; R155-E268 IonicContact CZ-OE2 3.99Å; R155-E268 IonicContact NE-OE1 2.87Å; R155-E268 PolarHBondContact NE-OE1 2.98Å; R155-E268 IonicContact NH2-OE1 3.25Å; R155-E268 PolarHBondContact NH2-OE1 3.13Å; R155-E268 IonicContact NH2-OE2 3.96Å; R155-E268 PolarHBondContact NH2-OE2 3.26Å; F264-E268 WeakPolarHBondContact CA-OE2 3.44Å; F264-E268 HydrophobicContact CD1-CB 4.31Å; T265-E268 PolarHBondContact N-OE2 3.01Å; T265-E268 PolarHBondContact O-N 3.09Å; T265-E268 WeakPolarHBondContact OG1-CG 3.26Å; T265-E268 PolarHBondContact OG1-N 3.07Å; T265-E268 VanDerWaalsContact OG1-N 3.08Å; E268-S271 PolarHBondContact O-N 2.91Å; E268-V272 WeakPolarHBondContact O-CG2 3.18Å; E268-V272 PolarHBondContact O-N 3.24Å
269	I	96.9	Very high	95.9	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-48.9	179.5	-64.7	166.3	0	0	0	111	V238 P239 W241 F264 T265 E266 E267 S271 V272 R273 M316	V238-I269 HydrophobicContact CG1-CB 4.47Å; V238-I269 HydrophobicContact CG1-CD1 3.99Å; V238-I269 HydrophobicContact CG1-CG2 4.09Å; P239-I269 HydrophobicContact CG-CG2 4.21Å; W241-I269 HydrophobicContact CH2-CD1 3.54Å; W241-I269 HydrophobicContact CH2-CG1 4.06Å; W241-I269 HydrophobicContact CZ2-CD1 3.72Å; W241-I269 HydrophobicContact CZ2-CG1 4.15Å; W241-I269 HydrophobicContact CZ3-CD1 4.18Å; F264-I269 HydrophobicContact CB-CD1 3.97Å; F264-I269 HydrophobicContact CB-CG1 3.82Å; T265-I269 WeakPolarHBondContact O-CG1 3.38Å; T265-I269 PolarHBondContact O-N 3.24Å; T265-I269 VanDerWaalsContact O-N 3.13Å; E266-I269 PolarHBondContact O-N 2.03Å; E267-I269 VanDerWaalsContact C-N 3.32Å; E267-I269 PolarHBondContact O-N 3.19Å; I269-S271 VanDerWaalsContact C-N 3.28Å; I269-S271 PolarHBondContact O-N 3.43Å; I269-V272 PolarHBondContact O-N 3.35Å; I269-R273 WeakPolarHBondContact O-CG 2.91Å; I269-R273 PolarHBondContact O-N 2.82Å; I269-R273 VanDerWaalsContact O-N 3.11Å; I269-M316 HydrophobicContact CG1-CE 4.38Å; I269-M316 HydrophobicContact CG2-CB 3.76Å; I269-M316 HydrophobicContact CG2-CG 4.18Å
270	K	97	Very high	96.1	Very high	87 Å²	87	41.9 Å²	41.9	38%	0.378	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-38.9	176.3	-77	-178.4	-179.9	176.1	0	111.5	V236 V238 E266 E267 R273 T274	V236-K270 HydrophobicContact CG1-CG 4.5Å; V238-K270 HydrophobicContact CG2-CD 4.19Å; V238-K270 HydrophobicContact CG2-CG 3.73Å; E266-K270 WeakPolarHBondContact O-CB 3.34Å; E266-K270 WeakPolarHBondContact O-CG 3.15Å; E266-K270 PolarHBondContact O-N 2.9Å; E267-K270 PolarHBondContact O-N 2.91Å; K270-R273 PolarHBondContact O-N 2.89Å; K270-T274 VanDerWaalsContact O-CB 3.28Å; K270-T274 WeakPolarHBondContact O-CB 3.5Å; K270-T274 PolarHBondContact O-N 2.97Å; K270-T274 PolarHBondContact O-OG1 2.95Å
271	S	97.3	Very high	96.2	Very high	33 Å²	33	42 Å²	42	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-50.4	179.2	-167.7	0	0	0	0	111.2	S158 E267 E268 I269 R273 T274 F275	S158-S271 WeakPolarHBondContact CB-OG 3.24Å; S158-S271 PolarHBondContact OG-OG 3.46Å; E267-S271 VanDerWaalsContact O-CB 3.23Å; E267-S271 WeakPolarHBondContact O-CB 3.43Å; E267-S271 PolarHBondContact O-N 2.87Å; E268-S271 PolarHBondContact O-N 2.91Å; I269-S271 VanDerWaalsContact C-N 3.28Å; I269-S271 PolarHBondContact O-N 3.43Å; S271-R273 VanDerWaalsContact C-N 3.32Å; S271-R273 PolarHBondContact O-N 2.87Å; S271-T274 PolarHBondContact O-N 2.83Å; S271-F275 VanDerWaalsContact O-CD2 3.24Å; S271-F275 WeakPolarHBondContact O-CD2 3.46Å; S271-F275 PolarHBondContact O-N 3.45Å
272	V	96.9	Very high	96.5	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-54.8	-48.2	176.2	167.1	0	0	0	0	111.3	F221 E268 I269 F275 Y276 M316	F221-V272 HydrophobicContact CD2-CB 4.46Å; F221-V272 HydrophobicContact CD2-CG1 3.69Å; F221-V272 HydrophobicContact CD2-CG2 4.33Å; F221-V272 HydrophobicContact CE1-CG1 4.46Å; F221-V272 HydrophobicContact CE2-CG1 3.54Å; F221-V272 HydrophobicContact CG-CG1 4.22Å; F221-V272 HydrophobicContact CZ-CG1 3.96Å; E268-V272 WeakPolarHBondContact O-CG2 3.18Å; E268-V272 PolarHBondContact O-N 3.24Å; I269-V272 PolarHBondContact O-N 3.35Å; V272-F275 PolarHBondContact O-N 3.1Å; V272-Y276 WeakPolarHBondContact O-CB 3.27Å; V272-Y276 PolarHBondContact O-N 3.47Å; V272-M316 HydrophobicContact CB-CG 3.96Å; V272-M316 HydrophobicContact CB-SD 4.45Å; V272-M316 HydrophobicContact CG1-CG 3.72Å; V272-M316 HydrophobicContact CG1-SD 4.06Å
273	R	97.2	Very high	97	Very high	8 Å²	8	37.7 Å²	37.7	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-44.2	179.8	-70.6	172.5	70.6	79	-6	112.7	V236 S237 I269 K270 S271 F275 Y276 Y277 A315 E317	V236-R273 HydrophobicContact CG1-CB 3.58Å; S237-R273 WeakPolarHBondContact O-CD 3.25Å; S237-R273 PolarHBondContact O-NE 3.47Å; S237-R273 PolarHBondContact OG-NH2 3.15Å; I269-R273 WeakPolarHBondContact O-CG 2.91Å; I269-R273 PolarHBondContact O-N 2.82Å; I269-R273 VanDerWaalsContact O-N 3.11Å; K270-R273 PolarHBondContact O-N 2.89Å; S271-R273 VanDerWaalsContact C-N 3.32Å; S271-R273 PolarHBondContact O-N 2.87Å; R273-F275 PolarHBondContact O-N 2.87Å; R273-Y276 WeakPolarHBondContact O-CB 3.38Å; R273-Y276 PolarHBondContact O-N 3.11Å; R273-Y277 HydrophobicContact CB-CE2 4.36Å; R273-Y277 PolarHBondContact NH2-OH 2.88Å; R273-Y277 VanDerWaalsContact O-CD2 3.28Å; R273-Y277 WeakPolarHBondContact O-CD2 3.48Å; R273-Y277 VanDerWaalsContact O-CG 3.27Å; R273-Y277 PolarHBondContact O-N 2.93Å; R273-A315 VanDerWaalsContact CD-O 3.26Å; R273-A315 WeakPolarHBondContact CD-O 3.43Å; R273-A315 HydrophobicContact CG-CB 4.07Å; R273-A315 WeakPolarHBondContact CG-O 3.41Å; R273-A315 PolarHBondContact NH1-O 3.02Å; R273-E317 IonicContact CZ-OE1 3.48Å; R273-E317 IonicContact NH1-OE1 3.19Å; R273-E317 PolarHBondContact NH1-OE1 2.81Å; R273-E317 VanDerWaalsContact NH1-OE1 3.13Å; R273-E317 IonicContact NH2-OE1 2.64Å
274	T	97.7	Very high	97.3	Very high	19 Å²	19	31.3 Å²	31.3	12%	0.117	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-45	178.4	-56.7	0	0	0	0	110.9	L228 V231 K270 S271 Y277 A278	L228-T274 HydrophobicContact CD2-CG2 3.71Å; V231-T274 HydrophobicContact CB-CG2 4.2Å; V231-T274 HydrophobicContact CG1-CG2 3.86Å; K270-T274 VanDerWaalsContact O-CB 3.28Å; K270-T274 WeakPolarHBondContact O-CB 3.5Å; K270-T274 PolarHBondContact O-N 2.97Å; K270-T274 PolarHBondContact O-OG1 2.95Å; S271-T274 PolarHBondContact O-N 2.83Å; T274-Y277 PolarHBondContact O-N 3.1Å; T274-A278 WeakPolarHBondContact O-CB 3.38Å; T274-A278 PolarHBondContact O-N 3.27Å
275	F	98.2	Very high	97.5	Very high	18 Å²	18	31.2 Å²	31.2	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-67.4	-40	178.3	-85.5	-106	0	0	0	112.1	Q159 L160 F221 L228 S271 V272 R273 A278 M279	Q159-F275 WeakPolarHBondContact O-CE1 3.38Å; L160-F275 HydrophobicContact CB-CE1 4.38Å; L160-F275 HydrophobicContact CB-CZ 4.09Å; L160-F275 HydrophobicContact CD1-CE1 4.29Å; L160-F275 HydrophobicContact CD1-CZ 4.02Å; F221-F275 HydrophobicContact CB-CB 3.71Å; F221-F275 VanDerWaalsContact O-CD1 3.25Å; F221-F275 WeakPolarHBondContact O-CD1 3.33Å; L228-F275 HydrophobicContact CD1-CE1 4.47Å; L228-F275 HydrophobicContact CD1-CE2 4.16Å; L228-F275 HydrophobicContact CD1-CZ 3.92Å; L228-F275 HydrophobicContact CD2-CD2 4.04Å; L228-F275 HydrophobicContact CD2-CE2 4.06Å; L228-F275 HydrophobicContact CD2-CG 4.38Å; L228-F275 HydrophobicContact CD2-CZ 4.37Å; S271-F275 VanDerWaalsContact O-CD2 3.24Å; S271-F275 WeakPolarHBondContact O-CD2 3.46Å; S271-F275 PolarHBondContact O-N 3.45Å; V272-F275 PolarHBondContact O-N 3.1Å; R273-F275 PolarHBondContact O-N 2.87Å; F275-A278 PolarHBondContact O-N 3.07Å; F275-M279 VanDerWaalsContact O-CG 3.27Å; F275-M279 WeakPolarHBondContact O-CG 3.45Å; F275-M279 PolarHBondContact O-N 2.97Å
276	Y	97.9	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-49.9	172.2	170.7	-111.4	0	0	0	112	A38 D40 L43 P204 F221 V272 R273 A278 M279 C280 E313 A315	A38-Y276 WeakPolarHBondContact O-CE2 3.38Å; A38-Y276 PolarHBondContact O-OH 2.69Å; D40-Y276 HydrophobicContact CB-CE1 4.45Å; D40-Y276 WeakPolarHBondContact CB-OH 3.27Å; D40-Y276 PolarHBondContact N-OH 3.45Å; L43-Y276 HydrophobicContact CD1-CE1 4.24Å; P204-Y276 HydrophobicContact CB-CD2 4Å; P204-Y276 HydrophobicContact CB-CE2 3.71Å; P204-Y276 HydrophobicContact CG-CD2 4.27Å; P204-Y276 HydrophobicContact CG-CE2 3.47Å; P204-Y276 VanDerWaalsContact CG-CE2 3.47Å; F221-Y276 HydrophobicContact CD1-CD2 4.42Å; F221-Y276 HydrophobicContact CE1-CD2 4.1Å; F221-Y276 HydrophobicContact CE1-CG 4.41Å; V272-Y276 WeakPolarHBondContact O-CB 3.27Å; V272-Y276 PolarHBondContact O-N 3.47Å; R273-Y276 WeakPolarHBondContact O-CB 3.38Å; R273-Y276 PolarHBondContact O-N 3.11Å; Y276-A278 VanDerWaalsContact C-N 3.3Å; Y276-A278 PolarHBondContact O-N 3.28Å; Y276-M279 WeakPolarHBondContact O-CA 3.45Å; Y276-M279 WeakPolarHBondContact O-CB 3.18Å; Y276-M279 PolarHBondContact O-N 2.95Å; Y276-M279 VanDerWaalsContact O-N 3.08Å; Y276-C280 PolarHBondContact O-N 2.69Å; Y276-C280 PolarHBondContact O-SG 3Å; Y276-E313 HydrophobicContact CD1-CG 4.41Å; Y276-E313 HydrophobicContact CD2-CB 4.17Å; Y276-E313 HydrophobicContact CD2-CG 3.61Å; Y276-E313 HydrophobicContact CE1-CB 4.33Å; Y276-E313 HydrophobicContact CE1-CG 4.28Å; Y276-E313 HydrophobicContact CE2-CB 3.45Å; Y276-E313 VanDerWaalsContact CE2-CB 3.45Å; Y276-E313 HydrophobicContact CE2-CG 3.43Å; Y276-E313 VanDerWaalsContact CE2-CG 3.43Å; Y276-E313 HydrophobicContact CG-CG 4.1Å; Y276-A315 HydrophobicContact CD1-CB 3.9Å; Y276-A315 HydrophobicContact CE1-CB 4.37Å; Y276-A315 HydrophobicContact CG-CB 4.39Å
277	Y	97.6	Very high	97.8	Very high	15 Å²	15	21.4 Å²	21.4	6%	0.059	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-37.1	177.2	-63.3	-29.2	0	0	0	112.9	L43 V51 V52 V231 V236 R273 T274 M279 C280 A281	L43-Y277 HydrophobicContact CD1-CD1 3.91Å; L43-Y277 HydrophobicContact CD1-CE1 4.1Å; L43-Y277 HydrophobicContact CD2-CD1 4.16Å; L43-Y277 HydrophobicContact CD2-CE1 3.86Å; V51-Y277 HydrophobicContact CG1-CD2 4.23Å; V51-Y277 HydrophobicContact CG1-CE2 4.15Å; V51-Y277 HydrophobicContact CG2-CD2 3.73Å; V51-Y277 HydrophobicContact CG2-CE2 3.63Å; V52-Y277 WeakPolarHBondContact CG2-O 3.28Å; V231-Y277 HydrophobicContact CG1-CD2 4.18Å; V236-Y277 HydrophobicContact CG1-CE2 4.29Å; V236-Y277 HydrophobicContact CG2-CD2 4.04Å; V236-Y277 HydrophobicContact CG2-CE2 4.12Å; R273-Y277 HydrophobicContact CB-CE2 4.36Å; R273-Y277 PolarHBondContact NH2-OH 2.88Å; R273-Y277 VanDerWaalsContact O-CD2 3.28Å; R273-Y277 WeakPolarHBondContact O-CD2 3.48Å; R273-Y277 VanDerWaalsContact O-CG 3.27Å; R273-Y277 PolarHBondContact O-N 2.93Å; T274-Y277 PolarHBondContact O-N 3.1Å; Y277-M279 VanDerWaalsContact C-N 3.3Å; Y277-M279 PolarHBondContact O-N 3.48Å; Y277-C280 WeakPolarHBondContact O-CB 3.16Å; Y277-C280 PolarHBondContact O-N 2.69Å; Y277-A281 PolarHBondContact O-N 2.93Å
278	A	98.1	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.2	-36.2	174.5	0	0	0	0	0	112	S223 W227 L228 V231 T274 F275 Y276 A281 E282	S223-A278 VanDerWaalsContact OG-CB 3.27Å; S223-A278 WeakPolarHBondContact OG-CB 3.46Å; W227-A278 HydrophobicContact CB-CB 3.97Å; L228-A278 HydrophobicContact CD2-CB 3.96Å; V231-A278 HydrophobicContact CG2-CB 3.86Å; T274-A278 WeakPolarHBondContact O-CB 3.38Å; T274-A278 PolarHBondContact O-N 3.27Å; F275-A278 PolarHBondContact O-N 3.07Å; Y276-A278 VanDerWaalsContact C-N 3.3Å; Y276-A278 PolarHBondContact O-N 3.28Å; A278-A281 PolarHBondContact O-N 2.77Å; A278-E282 PolarHBondContact O-N 3.24Å; A278-E282 VanDerWaalsContact O-N 3.14Å
279	M	98.4	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.5	-37.2	172.6	-68.3	167.8	69.4	0	0	112	L203 P204 H205 Y207 F221 R222 F275 Y276 Y277 A281 E282 A283	L203-M279 HydrophobicContact CD2-CB 4.15Å; L203-M279 HydrophobicContact CD2-CE 3.63Å; L203-M279 HydrophobicContact CD2-CG 4.3Å; P204-M279 HydrophobicContact CB-CB 3.7Å; P204-M279 WeakPolarHBondContact O-CE 3.45Å; H205-M279 WeakPolarHBondContact O-CE 3.4Å; Y207-M279 HydrophobicContact CD2-CE 4.3Å; Y207-M279 HydrophobicContact CE2-CE 4Å; F221-M279 HydrophobicContact CB-SD 4.15Å; F221-M279 HydrophobicContact CD1-SD 4.11Å; R222-M279 WeakPolarHBondContact O-CG 3.42Å; F275-M279 VanDerWaalsContact O-CG 3.27Å; F275-M279 WeakPolarHBondContact O-CG 3.45Å; F275-M279 PolarHBondContact O-N 2.97Å; Y276-M279 WeakPolarHBondContact O-CA 3.45Å; Y276-M279 WeakPolarHBondContact O-CB 3.18Å; Y276-M279 PolarHBondContact O-N 2.95Å; Y276-M279 VanDerWaalsContact O-N 3.08Å; Y277-M279 VanDerWaalsContact C-N 3.3Å; Y277-M279 PolarHBondContact O-N 3.48Å; M279-A281 VanDerWaalsContact C-N 3.33Å; M279-A281 PolarHBondContact O-N 3.27Å; M279-E282 PolarHBondContact O-N 3.34Å; M279-A283 PolarHBondContact O-N 2.96Å
280	C	97.9	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.7	-41.1	171.5	-64.2	0	0	0	0	111.9	F39 L43 L54 Y276 Y277 E282 A283 D284	F39-C280 HydrophobicContact CD2-CB 4.28Å; F39-C280 HydrophobicContact CE1-CB 4.5Å; F39-C280 HydrophobicContact CE2-CB 3.6Å; F39-C280 HydrophobicContact CZ-CB 3.72Å; L43-C280 HydrophobicContact CD1-CB 4.33Å; L54-C280 HydrophobicContact CD2-CB 4.38Å; Y276-C280 PolarHBondContact O-N 2.69Å; Y276-C280 PolarHBondContact O-SG 3Å; Y277-C280 WeakPolarHBondContact O-CB 3.16Å; Y277-C280 PolarHBondContact O-N 2.69Å; C280-E282 VanDerWaalsContact C-N 3.3Å; C280-E282 PolarHBondContact O-N 2.89Å; C280-A283 PolarHBondContact O-N 3.09Å; C280-D284 PolarHBondContact O-N 3.38Å
281	A	97.9	Very high	98.2	Very high	3 Å²	3	7.7 Å²	7.7	3%	0.025	5%	0.045	C	C	.	.	H	α-helix	trans	-64.9	-33.4	176.2	0	0	0	0	0	112.7	V52 L54 W227 K230 Y277 A278 M279 A285	V52-A281 HydrophobicContact CG2-CB 3.98Å; L54-A281 HydrophobicContact CD2-CB 4.49Å; W227-A281 HydrophobicContact CE3-CB 3.98Å; W227-A281 HydrophobicContact CZ3-CB 4.33Å; W227-A281 VanDerWaalsContact CZ3-O 3.31Å; W227-A281 WeakPolarHBondContact CZ3-O 3.22Å; K230-A281 HydrophobicContact CB-CB 3.8Å; K230-A281 HydrophobicContact CG-CB 4.14Å; Y277-A281 PolarHBondContact O-N 2.93Å; A278-A281 PolarHBondContact O-N 2.77Å; M279-A281 VanDerWaalsContact C-N 3.33Å; M279-A281 PolarHBondContact O-N 3.27Å; A281-A285 PolarHBondContact O-N 3.17Å
282	E	98.6	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.7	-42.1	172.9	-176.2	173.9	-171.8	0	0	111.7	I169 M170 W174 L203 W227 A278 M279 C280 A285 M286	I169-E282 PolarHBondContact N-OE1 3.05Å; M170-E282 PolarHBondContact N-OE1 2.79Å; W174-E282 HydrophobicContact CZ2-CG 4.17Å; W174-E282 PolarHBondContact NE1-OE1 2.89Å; L203-E282 HydrophobicContact CD1-CB 3.86Å; L203-E282 HydrophobicContact CD1-CG 3.56Å; W227-E282 HydrophobicContact CD2-CB 3.88Å; W227-E282 HydrophobicContact CD2-CG 4.47Å; W227-E282 HydrophobicContact CE3-CB 4.27Å; W227-E282 HydrophobicContact CG-CB 4.36Å; W227-E282 HydrophobicContact CH2-CB 4.33Å; W227-E282 HydrophobicContact CH2-CG 4.49Å; W227-E282 HydrophobicContact CZ2-CB 3.9Å; W227-E282 HydrophobicContact CZ2-CG 3.75Å; W227-E282 HydrophobicContact CZ3-CB 4.48Å; A278-E282 PolarHBondContact O-N 3.24Å; A278-E282 VanDerWaalsContact O-N 3.14Å; M279-E282 PolarHBondContact O-N 3.34Å; C280-E282 VanDerWaalsContact C-N 3.3Å; C280-E282 PolarHBondContact O-N 2.89Å; E282-A285 PolarHBondContact O-N 3.15Å; E282-M286 HydrophobicContact CG-CE 4.12Å; E282-M286 PolarHBondContact O-N 2.99Å
283	A	98.6	Very high	98.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.5	-41.5	174.7	0	0	0	0	0	112.2	F39 L201 L203 M279 C280 A285 M286 L287	F39-A283 HydrophobicContact CE2-CB 4.38Å; L201-A283 HydrophobicContact CD1-CB 4.26Å; L203-A283 HydrophobicContact CB-CB 4.01Å; M279-A283 PolarHBondContact O-N 2.96Å; C280-A283 PolarHBondContact O-N 3.09Å; A283-A285 VanDerWaalsContact C-N 3.29Å; A283-A285 PolarHBondContact O-N 2.8Å; A283-M286 WeakPolarHBondContact O-CB 3.39Å; A283-M286 PolarHBondContact O-N 3.21Å; A283-M286 VanDerWaalsContact O-N 3.13Å; A283-L287 PolarHBondContact O-N 3.28Å; A283-L287 VanDerWaalsContact O-N 3.15Å
284	D	98.4	Very high	98.4	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.016	5%	0.049	C	C	.	.	H	α-helix	trans	-58.5	-39.6	174.3	178.4	75.1	0	0	0	112.1	L54 P55 Y56 I57 C280 M286 L287 G288	L54-D284 HydrophobicContact CD2-CB 3.81Å; P55-D284 WeakPolarHBondContact CD-OD2 3.43Å; P55-D284 WeakPolarHBondContact CG-OD2 3.35Å; Y56-D284 WeakPolarHBondContact CA-OD1 3.21Å; Y56-D284 WeakPolarHBondContact CB-OD1 3.13Å; Y56-D284 WeakPolarHBondContact CD2-O 3.46Å; Y56-D284 WeakPolarHBondContact CD2-OD2 3.41Å; Y56-D284 PolarHBondContact N-OD1 2.86Å; Y56-D284 VanDerWaalsContact N-OD1 3.13Å; Y56-D284 PolarHBondContact N-OD2 3.42Å; I57-D284 WeakPolarHBondContact CG1-OD1 3.35Å; I57-D284 PolarHBondContact N-OD1 2.94Å; C280-D284 PolarHBondContact O-N 3.38Å; D284-M286 VanDerWaalsContact C-N 3.31Å; D284-M286 PolarHBondContact O-N 3.35Å; D284-L287 WeakPolarHBondContact O-CB 3.39Å; D284-L287 PolarHBondContact O-N 3.46Å; D284-G288 PolarHBondContact O-N 3.12Å
285	A	98.8	Very high	98.4	Very high	21 Å²	21	13.9 Å²	13.9	17%	0.174	7%	0.069	C	C	.	.	H	α-helix	trans	-66.5	-31.1	176.9	0	0	0	0	0	113.4	W174 W227 A281 E282 A283 G288 Q289	W174-A285 HydrophobicContact CH2-CB 3.96Å; W174-A285 HydrophobicContact CZ2-CB 4.29Å; W227-A285 HydrophobicContact CH2-CB 3.46Å; W227-A285 VanDerWaalsContact CH2-CB 3.46Å; W227-A285 HydrophobicContact CZ2-CB 4.4Å; W227-A285 HydrophobicContact CZ3-CB 4.1Å; A281-A285 PolarHBondContact O-N 3.17Å; E282-A285 PolarHBondContact O-N 3.15Å; A283-A285 VanDerWaalsContact C-N 3.29Å; A283-A285 PolarHBondContact O-N 2.8Å; A285-G288 PolarHBondContact O-N 2.91Å; A285-Q289 PolarHBondContact O-N 3.13Å; A285-Q289 VanDerWaalsContact O-N 3.1Å
286	M	98.8	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69	-40.3	173.6	-65	174	-172.8	0	0	111.6	M170 D173 W174 T177 L201 L203 E282 A283 D284 G288 Q289 V290	M170-M286 HydrophobicContact CB-CE 4.41Å; D173-M286 HydrophobicContact CB-CE 3.53Å; D173-M286 HydrophobicContact CB-SD 3.63Å; W174-M286 HydrophobicContact CD2-CE 3.75Å; W174-M286 HydrophobicContact CD2-CG 4.01Å; W174-M286 VanDerWaalsContact CE2-CE 3.48Å; W174-M286 HydrophobicContact CE3-CG 3.97Å; W174-M286 HydrophobicContact CG-CE 3.7Å; W174-M286 HydrophobicContact CH2-CG 3.8Å; W174-M286 HydrophobicContact CZ2-CE 4.15Å; W174-M286 HydrophobicContact CZ2-CG 3.83Å; W174-M286 HydrophobicContact CZ3-CG 3.86Å; T177-M286 HydrophobicContact CG2-CB 3.93Å; T177-M286 HydrophobicContact CG2-CG 4.34Å; L201-M286 HydrophobicContact CD1-CB 4.11Å; L201-M286 HydrophobicContact CD1-SD 4.02Å; L201-M286 HydrophobicContact CD2-SD 3.81Å; L201-M286 HydrophobicContact CG-SD 4.46Å; L203-M286 HydrophobicContact CD1-CE 3.78Å; E282-M286 HydrophobicContact CG-CE 4.12Å; E282-M286 PolarHBondContact O-N 2.99Å; A283-M286 WeakPolarHBondContact O-CB 3.39Å; A283-M286 PolarHBondContact O-N 3.21Å; A283-M286 VanDerWaalsContact O-N 3.13Å; D284-M286 VanDerWaalsContact C-N 3.31Å; D284-M286 PolarHBondContact O-N 3.35Å; M286-G288 VanDerWaalsContact C-N 3.26Å; M286-G288 PolarHBondContact O-N 2.77Å; M286-Q289 PolarHBondContact O-N 3.2Å; M286-Q289 VanDerWaalsContact O-N 3.14Å; M286-V290 PolarHBondContact O-N 3.45Å
287	L	98.8	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-55.8	-44.8	169.2	169.2	65	0	0	0	110.5	V34 I57 L60 A283 D284 Q289 V290 I291 L305 F307	V34-L287 HydrophobicContact CB-CD1 4.11Å; V34-L287 HydrophobicContact CG1-CD1 4.45Å; V34-L287 HydrophobicContact CG2-CD1 3.94Å; I57-L287 HydrophobicContact CD1-CD2 3.76Å; L60-L287 HydrophobicContact CD1-CD1 4.36Å; L60-L287 HydrophobicContact CD1-CD2 3.78Å; L60-L287 HydrophobicContact CG-CD2 4.42Å; A283-L287 PolarHBondContact O-N 3.28Å; A283-L287 VanDerWaalsContact O-N 3.15Å; D284-L287 WeakPolarHBondContact O-CB 3.39Å; D284-L287 PolarHBondContact O-N 3.46Å; L287-Q289 VanDerWaalsContact C-N 3.3Å; L287-Q289 PolarHBondContact O-N 2.94Å; L287-V290 WeakPolarHBondContact O-CB 3.42Å; L287-V290 PolarHBondContact O-N 3.35Å; L287-V290 VanDerWaalsContact O-N 3.12Å; L287-I291 HydrophobicContact CD1-CD1 3.98Å; L287-I291 HydrophobicContact CD1-CG1 4.24Å; L287-I291 HydrophobicContact CD2-CD1 4.46Å; L287-I291 HydrophobicContact CG-CD1 3.84Å; L287-I291 WeakPolarHBondContact O-CG1 3.47Å; L287-I291 PolarHBondContact O-N 2.79Å; L287-L305 HydrophobicContact CD1-CD1 4.47Å; L287-L305 HydrophobicContact CD1-CD2 4.38Å; L287-F307 HydrophobicContact CD1-CD2 4.33Å; L287-F307 HydrophobicContact CD2-CB 4.43Å; L287-F307 HydrophobicContact CD2-CD2 3.84Å; L287-F307 HydrophobicContact CD2-CE2 4.37Å; L287-F307 HydrophobicContact CD2-CG 4.18Å; L287-F307 HydrophobicContact CG-CD2 4.47Å
288	G	98.7	Very high	98.2	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-57	-38.6	175.2	0	0	0	0	0	114.5	D284 A285 M286 I291 S292	D284-G288 PolarHBondContact O-N 3.12Å; A285-G288 PolarHBondContact O-N 2.91Å; M286-G288 VanDerWaalsContact C-N 3.26Å; M286-G288 PolarHBondContact O-N 2.77Å; G288-I291 PolarHBondContact O-N 3.16Å; G288-S292 WeakPolarHBondContact O-CB 3.37Å; G288-S292 PolarHBondContact O-N 3.18Å
289	Q	98.8	Very high	98.2	Very high	33 Å²	33	26 Å²	26	15%	0.154	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-36.9	176.4	-175	172.2	-11	0	0	112.4	T177 D178 A181 A285 M286 L287 A293	T177-Q289 HydrophobicContact CG2-CB 3.87Å; T177-Q289 HydrophobicContact CG2-CG 4.07Å; D178-Q289 PolarHBondContact OD1-NE2 3.22Å; D178-Q289 PolarHBondContact OD1-OE1 3.3Å; A181-Q289 HydrophobicContact CB-CG 4.11Å; A285-Q289 PolarHBondContact O-N 3.13Å; A285-Q289 VanDerWaalsContact O-N 3.1Å; M286-Q289 PolarHBondContact O-N 3.2Å; M286-Q289 VanDerWaalsContact O-N 3.14Å; L287-Q289 VanDerWaalsContact C-N 3.3Å; L287-Q289 PolarHBondContact O-N 2.94Å; Q289-A293 PolarHBondContact O-N 3.32Å; Q289-A293 VanDerWaalsContact O-N 3.09Å
290	V	98.8	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.4	-46.7	174.4	176.6	0	0	0	0	110.7	V32 V34 T177 I184 L199 M286 L287 S292 A293 L294	V32-V290 HydrophobicContact CG1-CG1 3.79Å; V34-V290 HydrophobicContact CG2-CB 4.36Å; V34-V290 HydrophobicContact CG2-CG1 4.22Å; V34-V290 HydrophobicContact CG2-CG2 4.22Å; T177-V290 HydrophobicContact CG2-CG2 4.46Å; I184-V290 HydrophobicContact CD1-CG1 4.08Å; L199-V290 HydrophobicContact CD2-CG2 3.63Å; M286-V290 PolarHBondContact O-N 3.45Å; L287-V290 WeakPolarHBondContact O-CB 3.42Å; L287-V290 PolarHBondContact O-N 3.35Å; L287-V290 VanDerWaalsContact O-N 3.12Å; V290-S292 VanDerWaalsContact C-N 3.33Å; V290-S292 PolarHBondContact O-N 3.4Å; V290-A293 PolarHBondContact O-N 3.27Å; V290-L294 HydrophobicContact CG1-CD1 4.42Å; V290-L294 PolarHBondContact O-N 3.43Å; V290-L294 VanDerWaalsContact O-N 3.11Å
291	I	98.8	Very high	97.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-58.3	-45.3	176.6	-67.3	166.8	0	0	0	110.7	Y56 Y59 L60 L287 G288 A293 L294 R295 L300 L305	Y56-I291 HydrophobicContact CD1-CD1 4.35Å; Y59-I291 HydrophobicContact CD1-CD1 4.01Å; Y59-I291 HydrophobicContact CD1-CG2 4.44Å; Y59-I291 HydrophobicContact CE1-CD1 4.39Å; Y59-I291 HydrophobicContact CE1-CG2 3.94Å; L60-I291 HydrophobicContact CD2-CD1 4.27Å; L287-I291 HydrophobicContact CD1-CD1 3.98Å; L287-I291 HydrophobicContact CD1-CG1 4.24Å; L287-I291 HydrophobicContact CD2-CD1 4.46Å; L287-I291 HydrophobicContact CG-CD1 3.84Å; L287-I291 WeakPolarHBondContact O-CG1 3.47Å; L287-I291 PolarHBondContact O-N 2.79Å; G288-I291 PolarHBondContact O-N 3.16Å; I291-A293 PolarHBondContact O-N 2.79Å; I291-L294 PolarHBondContact O-N 3.09Å; I291-R295 WeakPolarHBondContact O-CB 3.19Å; I291-R295 PolarHBondContact O-N 3.26Å; I291-L300 HydrophobicContact CG2-CD2 4.42Å; I291-L305 HydrophobicContact CD1-CD2 4.02Å; I291-L305 HydrophobicContact CG1-CD2 3.47Å; I291-L305 VanDerWaalsContact CG1-CD2 3.47Å
292	S	98.7	Very high	97.8	Very high	52 Å²	52	35.9 Å²	35.9	36%	0.364	19%	0.193	S	C	.	.	H	α-helix	trans	-59	-46.4	177.5	-167	0	0	0	0	111.5	G288 V290 L294 R295 E296	G288-S292 WeakPolarHBondContact O-CB 3.37Å; G288-S292 PolarHBondContact O-N 3.18Å; V290-S292 VanDerWaalsContact C-N 3.33Å; V290-S292 PolarHBondContact O-N 3.4Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 2.97Å; S292-R295 PolarHBondContact O-N 3.33Å; S292-E296 WeakPolarHBondContact O-CB 3.41Å; S292-E296 WeakPolarHBondContact O-CG 3.41Å; S292-E296 PolarHBondContact O-N 2.63Å; S292-E296 PolarHBondContact OG-OE1 2.74Å
293	A	98.8	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-38.7	-179.9	0	0	0	0	0	112.9	A181 I184 R185 Q289 V290 I291	A181-A293 HydrophobicContact CB-CB 3.85Å; I184-A293 HydrophobicContact CB-CB 4.2Å; I184-A293 HydrophobicContact CD1-CB 4.16Å; I184-A293 HydrophobicContact CG2-CB 4.08Å; R185-A293 HydrophobicContact CG-CB 4.4Å; Q289-A293 PolarHBondContact O-N 3.32Å; Q289-A293 VanDerWaalsContact O-N 3.09Å; V290-A293 PolarHBondContact O-N 3.27Å; I291-A293 PolarHBondContact O-N 2.79Å
294	L	98.5	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-45.5	174.1	-68.3	168.4	0	0	0	111.4	V32 I184 F195 V290 I291 S292 K297 G298 L299 L300 T303	V32-L294 HydrophobicContact CG2-CD1 4.18Å; V32-L294 HydrophobicContact CG2-CD2 4.27Å; I184-L294 HydrophobicContact CD1-CD2 4.14Å; I184-L294 HydrophobicContact CD1-CG 4.2Å; I184-L294 HydrophobicContact CG1-CD2 4.43Å; I184-L294 HydrophobicContact CG2-CD2 3.96Å; I184-L294 HydrophobicContact CG2-CG 4.46Å; F195-L294 HydrophobicContact CZ-CD2 3.88Å; V290-L294 HydrophobicContact CG1-CD1 4.42Å; V290-L294 PolarHBondContact O-N 3.43Å; V290-L294 VanDerWaalsContact O-N 3.11Å; I291-L294 PolarHBondContact O-N 3.09Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 2.97Å; L294-K297 PolarHBondContact O-N 3.12Å; L294-G298 PolarHBondContact O-N 3.25Å; L294-L299 HydrophobicContact CD2-CB 4.08Å; L294-L299 PolarHBondContact O-N 3.39Å; L294-L300 HydrophobicContact CB-CB 4.11Å; L294-L300 HydrophobicContact CB-CD1 4.15Å; L294-L300 HydrophobicContact CD1-CD1 4.05Å; L294-L300 PolarHBondContact O-N 3.14Å; L294-T303 HydrophobicContact CD1-CG2 4.03Å; L294-T303 HydrophobicContact CD2-CG2 4.34Å
295	R	97.8	Very high	97.8	Very high	141 Å²	141	36 Å²	36	53%	0.532	19%	0.194	S	C	.	.	H	α-helix	trans	-64.4	-46.1	-179.2	-174	-177.1	-68.9	171.6	-1.2	112.3	Y59 I291 S292 K297 G298 L300	Y59-R295 PolarHBondContact OH-NH2 2.77Å; I291-R295 WeakPolarHBondContact O-CB 3.19Å; I291-R295 PolarHBondContact O-N 3.26Å; S292-R295 PolarHBondContact O-N 3.33Å; R295-K297 PolarHBondContact O-N 3.33Å; R295-G298 PolarHBondContact O-N 3.15Å; R295-L300 HydrophobicContact CB-CD2 4.31Å
296	E	97.8	Very high	97.8	Very high	101 Å²	101	35 Å²	35	47%	0.472	19%	0.185	S	C	.	.	H	α-helix	trans	-57.2	-23.1	178.6	-74.3	163.7	-141.9	0	0	113.4	R185 S292	R185-E296 IonicContact CZ-OE1 3.42Å; R185-E296 IonicContact CZ-OE2 2.92Å; R185-E296 VanDerWaalsContact CZ-OE2 3.25Å; R185-E296 IonicContact NE-OE2 3.08Å; R185-E296 PolarHBondContact NE-OE2 3.31Å; R185-E296 VanDerWaalsContact NH2-CD 3.35Å; R185-E296 IonicContact NH2-OE1 2.61Å; R185-E296 PolarHBondContact NH2-OE1 2.99Å; R185-E296 IonicContact NH2-OE2 3.96Å; R185-E296 PolarHBondContact NH2-OE2 3.41Å; S292-E296 WeakPolarHBondContact O-CB 3.41Å; S292-E296 WeakPolarHBondContact O-CG 3.41Å; S292-E296 PolarHBondContact O-N 2.63Å; S292-E296 PolarHBondContact OG-OE1 2.74Å
297	K	96.8	Very high	97.8	Very high	99 Å²	99	35 Å²	35	43%	0.43	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	7.4	179.3	-62.7	-58.7	-179.7	-177.7	0	114.1	R185 A189 L294 R295 L299	R185-K297 HydrophobicContact CG-CG 4.29Å; R185-K297 VanDerWaalsContact O-CE 3.3Å; R185-K297 WeakPolarHBondContact O-CE 3.3Å; A189-K297 HydrophobicContact CB-CB 3.99Å; A189-K297 HydrophobicContact CB-CD 4.02Å; A189-K297 HydrophobicContact CB-CG 3.91Å; L294-K297 PolarHBondContact O-N 3.12Å; R295-K297 PolarHBondContact O-N 3.33Å; K297-L299 HydrophobicContact CB-CD1 3.91Å; K297-L299 HydrophobicContact CB-CG 3.93Å; K297-L299 PolarHBondContact O-N 3.1Å
298	G	95.4	Very high	97.8	Very high	58 Å²	58	35 Å²	35	60%	0.598	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	22.7	-177.4	0	0	0	0	0	113.5	L294 R295	L294-G298 PolarHBondContact O-N 3.25Å; R295-G298 PolarHBondContact O-N 3.15Å
299	L	96.7	Very high	97.8	Very high	28 Å²	28	34.9 Å²	34.9	15%	0.147	18%	0.184	C	C	.	.			trans	-90.8	-19	-178.1	-66	173.1	0	0	0	112.5	I184 A188 A189 F195 L294 K297 D301 N302 T303	I184-L299 HydrophobicContact CG2-CD1 3.95Å; A188-L299 HydrophobicContact CB-CD1 4.34Å; A189-L299 HydrophobicContact CB-CD1 4.18Å; F195-L299 HydrophobicContact CE1-CD1 4.19Å; L294-L299 HydrophobicContact CD2-CB 4.08Å; L294-L299 PolarHBondContact O-N 3.39Å; K297-L299 HydrophobicContact CB-CD1 3.91Å; K297-L299 HydrophobicContact CB-CG 3.93Å; K297-L299 PolarHBondContact O-N 3.1Å; L299-D301 VanDerWaalsContact C-N 3.33Å; L299-D301 PolarHBondContact O-N 2.72Å; L299-N302 CarbonylContact O-C 3.57Å; L299-N302 PolarHBondContact O-N 3.3Å; L299-T303 WeakPolarHBondContact O-CB 3.12Å; L299-T303 PolarHBondContact O-N 3.39Å; L299-T303 PolarHBondContact O-OG1 3.48Å
300	L	96.4	Very high	97.7	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.089	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-59.5	-41.6	-172.5	-173.1	61.2	0	0	0	112.5	Y59 I291 L294 R295 N302 T303 M338	Y59-L300 WeakPolarHBondContact OH-CD2 3.48Å; I291-L300 HydrophobicContact CG2-CD2 4.42Å; L294-L300 HydrophobicContact CB-CB 4.11Å; L294-L300 HydrophobicContact CB-CD1 4.15Å; L294-L300 HydrophobicContact CD1-CD1 4.05Å; L294-L300 PolarHBondContact O-N 3.14Å; R295-L300 HydrophobicContact CB-CD2 4.31Å; L300-N302 PolarHBondContact O-N 2.71Å; L300-T303 PolarHBondContact O-N 3.09Å; L300-M338 HydrophobicContact CD1-SD 4.34Å
301	D	94.3	Very high	97.7	Very high	141 Å²	141	33.3 Å²	33.3	75%	0.754	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-67.8	-19.4	-176.8	-61	-21.7	0	0	0	113.4	L299 P340	L299-D301 VanDerWaalsContact C-N 3.33Å; L299-D301 PolarHBondContact O-N 2.72Å; D301-P340 WeakPolarHBondContact O-CB 3.49Å
302	N	95.8	Very high	97.6	Very high	54 Å²	54	33.1 Å²	33.1	29%	0.289	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-110	22.1	174.5	-169.2	40.8	0	0	0	112.4	N30 L299 L300	N30-N302 PolarHBondContact N-O 3.08Å; N30-N302 PolarHBondContact ND2-O 3.36Å; L299-N302 CarbonylContact O-C 3.57Å; L299-N302 PolarHBondContact O-N 3.3Å; L300-N302 PolarHBondContact O-N 2.71Å
303	T	98	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127	-178.8	-59.5	0	0	0	0	110.8	N30 V32 L294 L299 L300 G339 P340	N30-T303 HydrophobicContact CB-CG2 4.15Å; N30-T303 CarbonylContact O-C 3.51Å; N30-T303 WeakPolarHBondContact O-CA 3.11Å; V32-T303 HydrophobicContact CB-CG2 4.02Å; V32-T303 HydrophobicContact CG2-CG2 3.52Å; L294-T303 HydrophobicContact CD1-CG2 4.03Å; L294-T303 HydrophobicContact CD2-CG2 4.34Å; L299-T303 WeakPolarHBondContact O-CB 3.12Å; L299-T303 PolarHBondContact O-N 3.39Å; L299-T303 PolarHBondContact O-OG1 3.48Å; L300-T303 PolarHBondContact O-N 3.09Å; T303-G339 WeakPolarHBondContact O-CA 3.42Å; T303-P340 WeakPolarHBondContact O-CD 3.25Å
304	V	98.6	Very high	97.4	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.024	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	113.2	162.3	-178.2	0	0	0	0	108.2	P29 N30 I31 V32 I306 I337 M338 L342 I364	P29-V304 HydrophobicContact CB-CG2 4.19Å; P29-V304 HydrophobicContact CG-CG2 4.19Å; N30-V304 PolarHBondContact O-N 2.76Å; I31-V304 WeakPolarHBondContact CA-O 3.3Å; V32-V304 PolarHBondContact N-O 2.8Å; V304-I306 HydrophobicContact CG1-CG1 4.27Å; V304-I337 HydrophobicContact CG1-CG2 3.75Å; V304-M338 CarbonylContact C-O 3.56Å; V304-M338 VanDerWaalsContact CA-O 3.31Å; V304-M338 WeakPolarHBondContact CA-O 3.43Å; V304-L342 HydrophobicContact CG1-CD1 4.16Å; V304-I364 HydrophobicContact CB-CD1 4.4Å; V304-I364 HydrophobicContact CB-CG2 4.32Å; V304-I364 HydrophobicContact CG1-CD1 3.78Å; V304-I364 HydrophobicContact CG2-CG2 3.9Å
305	L	98.8	Very high	97.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.5	178.5	178.2	59.2	0	0	0	109.8	V32 V34 L60 L287 I291 I337 M338	V32-L305 HydrophobicContact CB-CD1 3.79Å; V32-L305 HydrophobicContact CG1-CD1 3.56Å; V32-L305 CarbonylContact O-C 3.57Å; V32-L305 WeakPolarHBondContact O-CA 3.31Å; V34-L305 HydrophobicContact CG2-CD1 4.4Å; L60-L305 HydrophobicContact CD2-CD2 3.66Å; L60-L305 HydrophobicContact CD2-CG 4.15Å; L287-L305 HydrophobicContact CD1-CD1 4.47Å; L287-L305 HydrophobicContact CD1-CD2 4.38Å; I291-L305 HydrophobicContact CD1-CD2 4.02Å; I291-L305 HydrophobicContact CG1-CD2 3.47Å; I291-L305 VanDerWaalsContact CG1-CD2 3.47Å; L305-I337 WeakPolarHBondContact O-CA 3.31Å; L305-M338 HydrophobicContact CB-CG 4.23Å; L305-M338 HydrophobicContact CD2-SD 4.32Å; L305-M338 PolarHBondContact N-O 2.98Å; L305-M338 PolarHBondContact O-N 3.4Å
306	I	98.9	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.4	-179.6	-56.5	167.9	0	0	0	108.2	V32 M33 V34 V304 L335 L336 I337 L357 V361 I364	V32-I306 PolarHBondContact O-N 3.2Å; M33-I306 WeakPolarHBondContact CA-O 3.29Å; M33-I306 HydrophobicContact CB-CB 4.48Å; M33-I306 HydrophobicContact CE-CD1 4.02Å; M33-I306 HydrophobicContact CE-CG2 4.22Å; M33-I306 HydrophobicContact CG-CB 4.36Å; M33-I306 HydrophobicContact CG-CG2 4.39Å; V34-I306 PolarHBondContact N-O 2.79Å; V304-I306 HydrophobicContact CG1-CG1 4.27Å; I306-L335 HydrophobicContact CG2-CD1 3.91Å; I306-L336 WeakPolarHBondContact CA-O 3.33Å; I306-I337 HydrophobicContact CG1-CG1 4.29Å; I306-I337 HydrophobicContact CG1-CG2 4.13Å; I306-I337 HydrophobicContact CG2-CG1 4.36Å; I306-L357 HydrophobicContact CG2-CD2 4.41Å; I306-V361 HydrophobicContact CD1-CG2 4.1Å; I306-I364 HydrophobicContact CD1-CD1 4.45Å
307	F	98.8	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.4	167.3	179.6	-91.7	0	0	0	110.3	V34 F39 I57 L60 L287 P334 L335 L336	V34-F307 HydrophobicContact CB-CD2 4.21Å; V34-F307 HydrophobicContact CG1-CD2 4.13Å; V34-F307 HydrophobicContact CG1-CE2 4.36Å; V34-F307 WeakPolarHBondContact O-CA 3.5Å; F39-F307 HydrophobicContact CD2-CZ 4.08Å; F39-F307 HydrophobicContact CE2-CZ 4.17Å; F39-F307 HydrophobicContact CG-CZ 4.44Å; I57-F307 HydrophobicContact CD1-CD1 3.27Å; I57-F307 HydrophobicContact CD1-CD2 4.12Å; I57-F307 HydrophobicContact CD1-CE1 3.26Å; I57-F307 HydrophobicContact CD1-CE2 4.1Å; I57-F307 HydrophobicContact CD1-CG 3.71Å; I57-F307 HydrophobicContact CD1-CZ 3.69Å; I57-F307 HydrophobicContact CG1-CE1 4.4Å; L60-F307 HydrophobicContact CD1-CB 3.58Å; L60-F307 HydrophobicContact CD1-CG 4.49Å; L287-F307 HydrophobicContact CD1-CD2 4.33Å; L287-F307 HydrophobicContact CD2-CB 4.43Å; L287-F307 HydrophobicContact CD2-CD2 3.84Å; L287-F307 HydrophobicContact CD2-CE2 4.37Å; L287-F307 HydrophobicContact CD2-CG 4.18Å; L287-F307 HydrophobicContact CG-CD2 4.47Å; F307-P334 HydrophobicContact CD1-CB 4.23Å; F307-P334 HydrophobicContact CD1-CG 4.25Å; F307-P334 HydrophobicContact CE1-CB 4.02Å; F307-P334 HydrophobicContact CE1-CG 3.72Å; F307-L335 WeakPolarHBondContact O-CA 3.06Å; F307-L336 HydrophobicContact CD1-CD1 3.85Å; F307-L336 PolarHBondContact N-O 2.91Å; F307-L336 PolarHBondContact O-N 2.71Å
308	T	98.7	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	-178.8	178.7	-169.3	0	0	0	0	112.2	V34 M35 S36 P334 L354 L357	V34-T308 PolarHBondContact O-N 3.22Å; M35-T308 WeakPolarHBondContact CA-O 3.36Å; M35-T308 HydrophobicContact CB-CG2 4.34Å; M35-T308 HydrophobicContact CG-CG2 4.04Å; M35-T308 HydrophobicContact SD-CG2 3.94Å; S36-T308 PolarHBondContact N-O 2.78Å; T308-P334 VanDerWaalsContact CA-O 3.23Å; T308-P334 WeakPolarHBondContact CA-O 3.44Å; T308-P334 WeakPolarHBondContact CB-O 3.48Å; T308-P334 PolarHBondContact OG1-O 3.16Å; T308-L354 WeakPolarHBondContact OG1-CD2 3.06Å; T308-L357 HydrophobicContact CG2-CD1 4.07Å
309	A	98.4	Very high	97.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.8	167.9	0	0	0	0	0	111.8	S36 F39 V333 P334 L354	S36-A309 VanDerWaalsContact O-CA 3.31Å; S36-A309 WeakPolarHBondContact O-CA 3.43Å; F39-A309 HydrophobicContact CB-CB 3.67Å; A309-V333 HydrophobicContact CB-CB 4.48Å; A309-P334 HydrophobicContact CB-CG 4.15Å; A309-L354 VanDerWaalsContact O-CD1 3.22Å; A309-L354 WeakPolarHBondContact O-CD1 3.41Å
310	D	97.9	Very high	97.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-69	-36.7	175	48.8	1.8	0	0	0	113.2	M35 S36 D37 A38 T72 C77 S80 R81	M35-D310 HydrophobicContact CE-CB 3.57Å; S36-D310 PolarHBondContact O-N 2.93Å; D37-D310 VanDerWaalsContact CA-OD1 3.3Å; D37-D310 WeakPolarHBondContact CA-OD1 3.4Å; A38-D310 PolarHBondContact N-OD1 2.93Å; T72-D310 WeakPolarHBondContact CB-O 3.5Å; T72-D310 PolarHBondContact OG1-O 3.36Å; C77-D310 WeakPolarHBondContact CA-OD2 3.31Å; S80-D310 WeakPolarHBondContact CB-O 3.44Å; S80-D310 PolarHBondContact OG-O 2.74Å; R81-D310 HydrophobicContact CG-CB 4.01Å; R81-D310 IonicContact CZ-OD2 3.83Å; R81-D310 IonicContact NE-OD2 3.66Å; R81-D310 PolarHBondContact NE-OD2 3.38Å; R81-D310 VanDerWaalsContact NH2-CG 3.28Å; R81-D310 IonicContact NH2-OD1 3.23Å; R81-D310 IonicContact NH2-OD2 3.83Å; R81-D310 PolarHBondContact NH2-OD2 3.01Å
311	H	98.1	Very high	97	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.			trans	-158.5	173.6	174.8	56.7	70.7	0	0	0	108.9	D37 A38 F39 T72 I76 C77 K323 V333	D37-H311 IonicContact OD1-CE1 3.22Å; D37-H311 PolarHBondContact OD1-CE1 2.98Å; D37-H311 IonicContact OD1-NE2 3.75Å; D37-H311 PolarHBondContact OD1-NE2 3.42Å; A38-H311 CarbonylContact C-O 3.52Å; A38-H311 VanDerWaalsContact C-O 3.29Å; A38-H311 WeakPolarHBondContact CA-O 3.47Å; A38-H311 PolarHBondContact N-CE1 3.37Å; A38-H311 PolarHBondContact N-O 3.41Å; F39-H311 PolarHBondContact N-O 3.24Å; F39-H311 VanDerWaalsContact N-O 3.09Å; T72-H311 HydrophobicContact CG2-CB 4.42Å; I76-H311 VanDerWaalsContact C-CD2 3.49Å; C77-H311 PolarHBondContact N-CD2 2.98Å; C77-H311 PolarHBondContact SG-NE2 2.86Å; H311-K323 WeakPolarHBondContact CE1-CD 3.29Å; H311-K323 PolarHBondContact CE1-NZ 3.49Å; H311-K323 VanDerWaalsContact CE1-NZ 3.34Å; H311-K323 WeakPolarHBondContact ND1-CD 3.41Å; H311-K323 WeakPolarHBondContact NE2-CD 3.14Å; H311-K323 PolarHBondContact NE2-NZ 2.95Å; H311-V333 VanDerWaalsContact CA-CG1 3.47Å
312	G	96.9	Very high	96.8	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.			trans	-90.5	-161.1	173.3	0	0	0	0	0	113.4	A38 G329 S330	A38-G312 WeakPolarHBondContact CA-O 3.21Å; G312-G329 CarbonylContact C-O 3.54Å; G312-G329 VanDerWaalsContact C-O 3.26Å; G312-G329 WeakPolarHBondContact CA-O 3.43Å; G312-S330 PolarHBondContact N-O 2.92Å
313	E	96.3	Very high	96.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.019	C	C	.	.			trans	-142.9	125.1	177.6	165.7	57.7	-115.6	0	0	108	A38 F221 Y276 A315 Y322 G329	A38-E313 HydrophobicContact CB-CB 4.2Å; A38-E313 WeakPolarHBondContact O-CB 3.34Å; F221-E313 HydrophobicContact CE1-CG 4.28Å; Y276-E313 HydrophobicContact CD1-CG 4.41Å; Y276-E313 HydrophobicContact CD2-CB 4.17Å; Y276-E313 HydrophobicContact CD2-CG 3.61Å; Y276-E313 HydrophobicContact CE1-CB 4.33Å; Y276-E313 HydrophobicContact CE1-CG 4.28Å; Y276-E313 HydrophobicContact CE2-CB 3.45Å; Y276-E313 VanDerWaalsContact CE2-CB 3.45Å; Y276-E313 HydrophobicContact CE2-CG 3.43Å; Y276-E313 VanDerWaalsContact CE2-CG 3.43Å; Y276-E313 HydrophobicContact CG-CG 4.1Å; E313-A315 HydrophobicContact CG-CB 4.14Å; E313-A315 PolarHBondContact O-N 3.28Å; E313-A315 PolarHBondContact OE1-N 3.47Å; E313-Y322 VanDerWaalsContact CD-N 3.35Å; E313-Y322 WeakPolarHBondContact OE1-CA 2.74Å; E313-Y322 PolarHBondContact OE1-N 3.12Å; E313-Y322 VanDerWaalsContact OE2-CA 3.23Å; E313-Y322 WeakPolarHBondContact OE2-CA 3.29Å; E313-Y322 PolarHBondContact OE2-N 2.79Å; E313-G329 CarbonylContact C-O 3.47Å; E313-G329 VanDerWaalsContact C-O 3.3Å; E313-G329 PolarHBondContact N-O 3.3Å
314	L	96.6	Very high	96.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.02	C	C	.	.			trans	-64.1	-26.8	-178.8	-69.9	163.8	0	0	0	111.9	M316 E317 Q320 Y322 F327	L314-M316 PolarHBondContact O-N 2.84Å; L314-M316 VanDerWaalsContact O-N 3.16Å; L314-E317 WeakPolarHBondContact O-CB 3.35Å; L314-E317 WeakPolarHBondContact O-CG 3.14Å; L314-E317 PolarHBondContact O-N 3.47Å; L314-Q320 WeakPolarHBondContact CB-O 3.46Å; L314-Q320 HydrophobicContact CD1-CB 3.52Å; L314-Q320 HydrophobicContact CD1-CG 4.45Å; L314-Y322 WeakPolarHBondContact CG-O 3.35Å; L314-Y322 PolarHBondContact N-O 2.88Å; L314-F327 HydrophobicContact CD2-CB 4.09Å
315	A	95.5	Very high	96.6	Very high	1 Å²	1	5 Å²	5	1%	0.008	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	49.9	176.1	0	0	0	0	0	111.5	R273 Y276 E313 E317	R273-A315 VanDerWaalsContact CD-O 3.26Å; R273-A315 WeakPolarHBondContact CD-O 3.43Å; R273-A315 HydrophobicContact CG-CB 4.07Å; R273-A315 WeakPolarHBondContact CG-O 3.41Å; R273-A315 PolarHBondContact NH1-O 3.02Å; Y276-A315 HydrophobicContact CD1-CB 3.9Å; Y276-A315 HydrophobicContact CE1-CB 4.37Å; Y276-A315 HydrophobicContact CG-CB 4.39Å; E313-A315 HydrophobicContact CG-CB 4.14Å; E313-A315 PolarHBondContact O-N 3.28Å; E313-A315 PolarHBondContact OE1-N 3.47Å; A315-E317 VanDerWaalsContact C-N 3.34Å; A315-E317 PolarHBondContact O-N 3.11Å
316	M	96.8	Very high	96.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	5.9	-177.5	-52.5	-56.6	-60.2	0	0	116.2	P156 P239 W241 F264 I269 V272 L314 Q320 F321	P156-M316 HydrophobicContact CG-SD 3.98Å; P239-M316 HydrophobicContact CG-CB 4.37Å; P239-M316 VanDerWaalsContact CG-O 3.25Å; P239-M316 WeakPolarHBondContact CG-O 3.47Å; W241-M316 VanDerWaalsContact CE2-O 3.26Å; W241-M316 HydrophobicContact CH2-CE 4.09Å; W241-M316 HydrophobicContact CZ2-CB 4.29Å; W241-M316 HydrophobicContact CZ2-CE 4.03Å; W241-M316 VanDerWaalsContact CZ2-O 3.31Å; W241-M316 WeakPolarHBondContact CZ2-O 3.48Å; W241-M316 PolarHBondContact NE1-O 2.55Å; F264-M316 HydrophobicContact CD1-CE 3.54Å; F264-M316 HydrophobicContact CD2-CE 4.22Å; F264-M316 HydrophobicContact CE1-CE 3.45Å; F264-M316 VanDerWaalsContact CE1-CE 3.45Å; F264-M316 HydrophobicContact CE1-SD 4.48Å; F264-M316 HydrophobicContact CE2-CE 4.15Å; F264-M316 HydrophobicContact CG-CE 3.93Å; F264-M316 HydrophobicContact CZ-CE 3.76Å; I269-M316 HydrophobicContact CG1-CE 4.38Å; I269-M316 HydrophobicContact CG2-CB 3.76Å; I269-M316 HydrophobicContact CG2-CG 4.18Å; V272-M316 HydrophobicContact CB-CG 3.96Å; V272-M316 HydrophobicContact CB-SD 4.45Å; V272-M316 HydrophobicContact CG1-CG 3.72Å; V272-M316 HydrophobicContact CG1-SD 4.06Å; L314-M316 PolarHBondContact O-N 2.84Å; L314-M316 VanDerWaalsContact O-N 3.16Å; M316-Q320 CarbonylContact C-O 3.55Å; M316-Q320 VanDerWaalsContact C-O 3.25Å; M316-Q320 WeakPolarHBondContact CA-O 3.41Å; M316-Q320 PolarHBondContact N-O 3.49Å; M316-Q320 VanDerWaalsContact N-O 3.08Å; M316-F321 HydrophobicContact SD-CB 3.9Å
317	E	96.8	Very high	96.5	Very high	18 Å²	18	5.5 Å²	5.5	8%	0.084	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-67.9	152.5	170.8	-71.6	164.7	-152.2	0	0	111.6	R42 P239 R273 L314 A315 R319 Q320	R42-E317 IonicContact CZ-OE1 3.46Å; R42-E317 IonicContact CZ-OE2 2.73Å; R42-E317 VanDerWaalsContact CZ-OE2 3.25Å; R42-E317 IonicContact NH1-OE1 3.65Å; R42-E317 IonicContact NH1-OE2 3.57Å; R42-E317 PolarHBondContact NH1-OE2 3.49Å; R42-E317 VanDerWaalsContact NH2-CD 3.27Å; R42-E317 IonicContact NH2-OE1 3.8Å; R42-E317 PolarHBondContact NH2-OE1 3.35Å; R42-E317 IonicContact NH2-OE2 3.56Å; R42-E317 PolarHBondContact NH2-OE2 2.87Å; P239-E317 HydrophobicContact CB-CB 4.41Å; P239-E317 HydrophobicContact CB-CG 3.7Å; P239-E317 HydrophobicContact CG-CG 4.2Å; R273-E317 IonicContact CZ-OE1 3.48Å; R273-E317 IonicContact NH1-OE1 3.19Å; R273-E317 PolarHBondContact NH1-OE1 2.81Å; R273-E317 VanDerWaalsContact NH1-OE1 3.13Å; R273-E317 IonicContact NH2-OE1 2.64Å; L314-E317 WeakPolarHBondContact O-CB 3.35Å; L314-E317 WeakPolarHBondContact O-CG 3.14Å; L314-E317 PolarHBondContact O-N 3.47Å; A315-E317 VanDerWaalsContact C-N 3.34Å; A315-E317 PolarHBondContact O-N 3.11Å; E317-R319 PolarHBondContact O-N 2.93Å; E317-Q320 PolarHBondContact N-O 3.35Å; E317-Q320 PolarHBondContact O-N 2.87Å
318	H	96.7	Very high	96.4	Very high	17 Å²	17	5.7 Å²	5.7	8%	0.079	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	53.3	26.9	-178.7	-54.8	-89.3	0	0	0	115.1	Q320 F327 D441	H318-Q320 VanDerWaalsContact C-N 3.25Å; H318-Q320 PolarHBondContact O-N 3.47Å; H318-F327 HydrophobicContact CB-CD2 3.92Å; H318-F327 HydrophobicContact CB-CE2 3.86Å; H318-F327 AromaticContact CD2-CD2 3.4Å; H318-F327 VanDerWaalsContact CD2-CD2 3.4Å; H318-F327 WeakPolarHBondContact CD2-CD2 3.49Å; H318-F327 AromaticContact CD2-CG 3.53Å; H318-F327 AromaticContact CE1-CD1 3.4Å; H318-F327 WeakPolarHBondContact CE1-CD1 3.45Å; H318-F327 AromaticContact CE1-CD2 3.79Å; H318-F327 AromaticContact CE1-CE1 3.55Å; H318-F327 AromaticContact CE1-CE2 3.96Å; H318-F327 AromaticContact CE1-CG 3.55Å; H318-F327 AromaticContact CE1-CZ 3.85Å; H318-F327 AromaticContact CG-CD2 3.38Å; H318-F327 AromaticContact CG-CE2 3.53Å; H318-F327 AromaticContact CG-CG 3.88Å; H318-F327 AromaticContact ND1-CD1 3.93Å; H318-F327 AromaticContact ND1-CD2 3.64Å; H318-F327 AromaticContact ND1-CE1 3.76Å; H318-F327 AromaticContact ND1-CE2 3.49Å; H318-F327 WeakPolarHBondContact ND1-CE2 3.22Å; H318-F327 AromaticContact ND1-CG 3.89Å; H318-F327 AromaticContact ND1-CZ 3.55Å; H318-F327 AromaticContact NE2-CD1 3.59Å; H318-F327 AromaticContact NE2-CD2 3.69Å; H318-F327 AromaticContact NE2-CG 3.33Å; H318-F327 VanDerWaalsContact NE2-CG 3.33Å; H318-F327 WeakPolarHBondContact NE2-CG 3.42Å; H318-D441 PolarHBondContact CE1-O 3.27Å; H318-D441 PolarHBondContact NE2-O 2.85Å
319	R	95.5	Very high	96.3	Very high	36 Å²	36	5.7 Å²	5.7	14%	0.136	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	53.9	44.5	-172.1	-164.9	-176.1	-83.8	-96.1	3.6	111.6	W241 M244 M247 T255 C260 S262 E317	W241-R319 VanDerWaalsContact CD1-N 3.25Å; W241-R319 HydrophobicContact CD2-CB 3.71Å; W241-R319 HydrophobicContact CD2-CG 4.06Å; W241-R319 HydrophobicContact CE3-CB 3.97Å; W241-R319 HydrophobicContact CE3-CG 3.79Å; W241-R319 VanDerWaalsContact CE3-CZ 3.46Å; W241-R319 HydrophobicContact CG-CB 3.98Å; W241-R319 HydrophobicContact CH2-CG 4.13Å; W241-R319 HydrophobicContact CZ2-CB 4.38Å; W241-R319 HydrophobicContact CZ2-CG 4.41Å; W241-R319 HydrophobicContact CZ3-CB 4.39Å; W241-R319 HydrophobicContact CZ3-CG 3.83Å; W241-R319 VanDerWaalsContact NE1-N 3.17Å; M244-R319 VanDerWaalsContact SD-CD 3.52Å; M247-R319 HydrophobicContact CE-CB 3.78Å; T255-R319 HydrophobicContact CG2-CB 4.26Å; T255-R319 HydrophobicContact CG2-CG 3.81Å; T255-R319 WeakPolarHBondContact CG2-O 3.5Å; T255-R319 PolarHBondContact OG1-O 3.11Å; C260-R319 HydrophobicContact CB-CG 4.32Å; C260-R319 WeakPolarHBondContact CB-O 3.34Å; C260-R319 WeakPolarHBondContact O-CD 3.32Å; C260-R319 WeakPolarHBondContact O-CG 3.41Å; S262-R319 PolarHBondContact O-NH1 3.22Å; S262-R319 VanDerWaalsContact O-NH1 3.16Å; E317-R319 PolarHBondContact O-N 2.93Å
320	Q	96	Very high	96.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.026	C	C	.	.			trans	-143.7	143.6	178.3	-66.2	178.5	41.5	0	0	108.9	S254 T255 K258 L314 M316 E317 H318	S254-Q320 PolarHBondContact OG-OE1 3.41Å; T255-Q320 WeakPolarHBondContact OG1-CG 3.3Å; K258-Q320 HydrophobicContact CD-CB 4.35Å; K258-Q320 HydrophobicContact CD-CG 4.43Å; L314-Q320 WeakPolarHBondContact CB-O 3.46Å; L314-Q320 HydrophobicContact CD1-CB 3.52Å; L314-Q320 HydrophobicContact CD1-CG 4.45Å; M316-Q320 CarbonylContact C-O 3.55Å; M316-Q320 VanDerWaalsContact C-O 3.25Å; M316-Q320 WeakPolarHBondContact CA-O 3.41Å; M316-Q320 PolarHBondContact N-O 3.49Å; M316-Q320 VanDerWaalsContact N-O 3.08Å; E317-Q320 PolarHBondContact N-O 3.35Å; E317-Q320 PolarHBondContact O-N 2.87Å; H318-Q320 VanDerWaalsContact C-N 3.25Å; H318-Q320 PolarHBondContact O-N 3.47Å
321	F	94.4	Very high	96.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.026	C	C	.	.			trans	-103.3	-179.1	156.8	76.3	-78.9	0	0	0	108.4	E153 P156 S219 F221 K258 C260 M316	E153-F321 HydrophobicContact CB-CZ 4.11Å; E153-F321 HydrophobicContact CG-CZ 4.49Å; P156-F321 HydrophobicContact CB-CB 4.31Å; P156-F321 HydrophobicContact CB-CD1 3.65Å; P156-F321 HydrophobicContact CB-CD2 3.98Å; P156-F321 HydrophobicContact CB-CE1 3.9Å; P156-F321 HydrophobicContact CB-CE2 4.27Å; P156-F321 HydrophobicContact CB-CG 3.7Å; P156-F321 HydrophobicContact CB-CZ 4.23Å; P156-F321 HydrophobicContact CG-CB 4.3Å; P156-F321 HydrophobicContact CG-CD1 3.39Å; P156-F321 HydrophobicContact CG-CE1 3.8Å; P156-F321 HydrophobicContact CG-CG 3.84Å; S219-F321 WeakPolarHBondContact OG-CE2 3.44Å; F221-F321 HydrophobicContact CE2-CD2 4.27Å; F221-F321 HydrophobicContact CZ-CD2 4.35Å; K258-F321 HydrophobicContact CB-CE1 4.13Å; K258-F321 WeakPolarHBondContact CD-O 3.21Å; K258-F321 PolarHBondContact NZ-O 2.96Å; K258-F321 VanDerWaalsContact O-CE1 3.27Å; K258-F321 WeakPolarHBondContact O-CE1 3.28Å; C260-F321 VanDerWaalsContact SG-CD1 3.51Å; M316-F321 HydrophobicContact SD-CB 3.9Å
322	Y	90.4	Very high	96.1	Very high	16 Å²	16	7.2 Å²	7.2	6%	0.063	3%	0.031	C	C	.	.	S	Bend	trans	71.6	-146.6	175.2	-152.5	-147.8	0	0	0	113	H205 P206 E313 L314 M324	H205-Y322 AromaticContact CD2-CE2 3.98Å; H205-Y322 AromaticContact CE1-CE2 3.65Å; H205-Y322 AromaticContact CE1-CZ 4Å; H205-Y322 AromaticContact NE2-CE2 3.37Å; H205-Y322 WeakPolarHBondContact NE2-CE2 3.47Å; H205-Y322 AromaticContact NE2-CZ 3.64Å; H205-Y322 PolarHBondContact NE2-OH 3.11Å; P206-Y322 HydrophobicContact CG-CD2 4.23Å; P206-Y322 HydrophobicContact CG-CE2 4.35Å; E313-Y322 VanDerWaalsContact CD-N 3.35Å; E313-Y322 WeakPolarHBondContact OE1-CA 2.74Å; E313-Y322 PolarHBondContact OE1-N 3.12Å; E313-Y322 VanDerWaalsContact OE2-CA 3.23Å; E313-Y322 WeakPolarHBondContact OE2-CA 3.29Å; E313-Y322 PolarHBondContact OE2-N 2.79Å; L314-Y322 WeakPolarHBondContact CG-O 3.35Å; L314-Y322 PolarHBondContact N-O 2.88Å; Y322-M324 HydrophobicContact CD1-CE 4.05Å; Y322-M324 HydrophobicContact CD1-SD 4.41Å; Y322-M324 HydrophobicContact CE1-CE 3.52Å; Y322-M324 HydrophobicContact CE1-SD 4.43Å
323	K	94.7	Very high	96.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-121.8	-149.7	-173	62.7	-154.5	172.3	-155.5	0	110.7	D37 P75 C77 H205 K258 H311 S325 S330	D37-K323 IonicContact OD1-NZ 2.77Å; P75-K323 VanDerWaalsContact O-CB 3.3Å; P75-K323 WeakPolarHBondContact O-CB 3.4Å; P75-K323 WeakPolarHBondContact O-CG 3.39Å; C77-K323 PolarHBondContact SG-NZ 2.8Å; H205-K323 PolarHBondContact CD2-NZ 2.84Å; H205-K323 PolarHBondContact NE2-NZ 3.4Å; K258-K323 WeakPolarHBondContact CE-O 3.43Å; K258-K323 PolarHBondContact NZ-O 3.22Å; H311-K323 WeakPolarHBondContact CE1-CD 3.29Å; H311-K323 PolarHBondContact CE1-NZ 3.49Å; H311-K323 VanDerWaalsContact CE1-NZ 3.34Å; H311-K323 WeakPolarHBondContact ND1-CD 3.41Å; H311-K323 WeakPolarHBondContact NE2-CD 3.14Å; H311-K323 PolarHBondContact NE2-NZ 2.95Å; K323-S325 VanDerWaalsContact C-N 3.3Å; K323-S325 PolarHBondContact O-N 2.94Å; K323-S330 VanDerWaalsContact CA-OG 3.31Å; K323-S330 WeakPolarHBondContact CA-OG 3.4Å
324	M	96	Very high	96.2	Very high	6 Å²	6	7.2 Å²	7.2	3%	0.03	3%	0.031	C	C	.	.			trans	69.5	28.3	175.4	-45.2	171.2	178.9	0	0	112.8	P75 I76 Y322 S330 Y401 C404 N405	P75-M324 WeakPolarHBondContact O-CA 3.29Å; P75-M324 PolarHBondContact O-N 3.4Å; I76-M324 HydrophobicContact CD1-CE 3.63Å; I76-M324 HydrophobicContact CD1-CG 4.37Å; I76-M324 HydrophobicContact CG1-CE 4.26Å; Y322-M324 HydrophobicContact CD1-CE 4.05Å; Y322-M324 HydrophobicContact CD1-SD 4.41Å; Y322-M324 HydrophobicContact CE1-CE 3.52Å; Y322-M324 HydrophobicContact CE1-SD 4.43Å; M324-S330 PolarHBondContact N-OG 2.87Å; M324-Y401 HydrophobicContact CB-CD1 4.48Å; M324-Y401 HydrophobicContact CB-CE1 3.66Å; M324-Y401 HydrophobicContact CB-CE2 4.21Å; M324-Y401 WeakPolarHBondContact CB-OH 3.45Å; M324-Y401 HydrophobicContact CG-CE1 4.27Å; M324-Y401 HydrophobicContact CG-CE2 4.14Å; M324-Y401 WeakPolarHBondContact CG-OH 3.46Å; M324-Y401 PolarHBondContact SD-OH 3.18Å; M324-C404 VanDerWaalsContact CE-SG 3.51Å; M324-N405 HydrophobicContact SD-CB 3.66Å; M324-N405 PolarHBondContact SD-ND2 3.45Å
325	S	96.6	Very high	96.3	Very high	10 Å²	10	7.2 Å²	7.2	7%	0.07	3%	0.032	C	C	.	.	S	Bend	trans	-136.8	155.9	175.9	178.5	0	0	0	0	111.1	P75 K323 F327 S330	P75-S325 WeakPolarHBondContact CB-O 3.35Å; P75-S325 WeakPolarHBondContact CG-O 3.25Å; K323-S325 VanDerWaalsContact C-N 3.3Å; K323-S325 PolarHBondContact O-N 2.94Å; S325-F327 WeakPolarHBondContact OG-CD2 3.39Å; S325-F327 PolarHBondContact OG-N 2.95Å; S325-S330 VanDerWaalsContact O-CB 3.22Å; S325-S330 WeakPolarHBondContact O-CB 3.36Å; S325-S330 PolarHBondContact O-OG 2.9Å; S325-S330 VanDerWaalsContact O-OG 3.12Å
326	M	97.8	Very high	96.4	Very high	6 Å²	6	7.2 Å²	7.2	3%	0.03	3%	0.031	C	C	.	.			trans	-91.1	-0.9	179.1	-63.2	-56.4	-176.9	0	0	113.8	P75 S331 S399 T410 M412 K419 I421	P75-M326 HydrophobicContact CG-CE 4.25Å; P75-M326 HydrophobicContact CG-SD 4.03Å; M326-S331 PolarHBondContact O-OG 3.48Å; M326-S399 WeakPolarHBondContact CE-O 3.49Å; M326-T410 HydrophobicContact CE-CG2 3.75Å; M326-T410 WeakPolarHBondContact CE-O 3.23Å; M326-T410 HydrophobicContact CG-CG2 3.49Å; M326-T410 VanDerWaalsContact CG-CG2 3.49Å; M326-T410 HydrophobicContact SD-CG2 4.49Å; M326-M412 HydrophobicContact CB-CB 3.97Å; M326-M412 HydrophobicContact CB-CG 4.15Å; M326-M412 HydrophobicContact CE-CB 4.36Å; M326-M412 HydrophobicContact CG-CB 3.77Å; M326-M412 HydrophobicContact CG-CG 4.49Å; M326-M412 HydrophobicContact SD-CB 3.61Å; M326-K419 PolarHBondContact O-NZ 2.85Å; M326-K419 VanDerWaalsContact O-NZ 3.09Å; M326-I421 HydrophobicContact CB-CD1 3.72Å; M326-I421 HydrophobicContact CB-CG1 4.15Å; M326-I421 HydrophobicContact CG-CG2 4.24Å
327	F	98.1	Very high	96.5	Very high	5 Å²	5	7.2 Å²	7.2	2%	0.022	3%	0.031	C	C	.	.	S	Bend	trans	-63.8	155.9	173.2	-61.8	-55.6	0	0	0	111.8	D251 L314 H318 S325 G329 S330 S331 F434 E442	D251-F327 WeakPolarHBondContact OD1-CE2 3.22Å; D251-F327 WeakPolarHBondContact OD2-CZ 3.4Å; L314-F327 HydrophobicContact CD2-CB 4.09Å; H318-F327 HydrophobicContact CB-CD2 3.92Å; H318-F327 HydrophobicContact CB-CE2 3.86Å; H318-F327 AromaticContact CD2-CD2 3.4Å; H318-F327 VanDerWaalsContact CD2-CD2 3.4Å; H318-F327 WeakPolarHBondContact CD2-CD2 3.49Å; H318-F327 AromaticContact CD2-CG 3.53Å; H318-F327 AromaticContact CE1-CD1 3.4Å; H318-F327 WeakPolarHBondContact CE1-CD1 3.45Å; H318-F327 AromaticContact CE1-CD2 3.79Å; H318-F327 AromaticContact CE1-CE1 3.55Å; H318-F327 AromaticContact CE1-CE2 3.96Å; H318-F327 AromaticContact CE1-CG 3.55Å; H318-F327 AromaticContact CE1-CZ 3.85Å; H318-F327 AromaticContact CG-CD2 3.38Å; H318-F327 AromaticContact CG-CE2 3.53Å; H318-F327 AromaticContact CG-CG 3.88Å; H318-F327 AromaticContact ND1-CD1 3.93Å; H318-F327 AromaticContact ND1-CD2 3.64Å; H318-F327 AromaticContact ND1-CE1 3.76Å; H318-F327 AromaticContact ND1-CE2 3.49Å; H318-F327 WeakPolarHBondContact ND1-CE2 3.22Å; H318-F327 AromaticContact ND1-CG 3.89Å; H318-F327 AromaticContact ND1-CZ 3.55Å; H318-F327 AromaticContact NE2-CD1 3.59Å; H318-F327 AromaticContact NE2-CD2 3.69Å; H318-F327 AromaticContact NE2-CG 3.33Å; H318-F327 VanDerWaalsContact NE2-CG 3.33Å; H318-F327 WeakPolarHBondContact NE2-CG 3.42Å; S325-F327 WeakPolarHBondContact OG-CD2 3.39Å; S325-F327 PolarHBondContact OG-N 2.95Å; F327-G329 VanDerWaalsContact C-N 3.28Å; F327-G329 PolarHBondContact O-N 3.11Å; F327-S330 PolarHBondContact O-N 3.25Å; F327-S331 WeakPolarHBondContact O-CB 3.25Å; F327-S331 PolarHBondContact O-N 3.35Å; F327-S331 PolarHBondContact O-OG 3.13Å; F327-F434 HydrophobicContact CE1-CE2 4Å; F327-F434 AromaticContact CE1-CZ 3.86Å; F327-F434 HydrophobicContact CE1-CZ 3.86Å; F327-E442 VanDerWaalsContact CA-OE2 3.24Å; F327-E442 WeakPolarHBondContact CA-OE2 3.22Å; F327-E442 WeakPolarHBondContact CB-OE2 3.33Å; F327-E442 HydrophobicContact CD1-CB 3.73Å; F327-E442 HydrophobicContact CD1-CG 4.45Å; F327-E442 HydrophobicContact CE1-CB 4.06Å
328	E	96.7	Very high	96.6	Very high	5 Å²	5	7 Å²	7	2%	0.023	3%	0.03	C	C	.	.	H	α-helix	trans	-52.6	-45	-175.6	-73.7	-72.5	102.4	0	0	111.4	Y71 S330 S331 R332 K419 E442	Y71-E328 WeakPolarHBondContact CE1-OE1 3.33Å; Y71-E328 VanDerWaalsContact CZ-OE1 3.26Å; Y71-E328 PolarHBondContact OH-OE1 3.1Å; Y71-E328 PolarHBondContact OH-OE2 2.97Å; E328-S330 PolarHBondContact O-N 3.18Å; E328-S330 VanDerWaalsContact O-N 3.17Å; E328-S331 PolarHBondContact O-N 3.5Å; E328-R332 WeakPolarHBondContact O-CB 3.48Å; E328-R332 PolarHBondContact O-N 2.97Å; E328-R332 WeakPolarHBondContact OE2-CD 3.49Å; E328-R332 IonicContact OE2-CZ 3.86Å; E328-R332 IonicContact OE2-NE 3.49Å; E328-R332 IonicContact OE2-NH1 2.99Å; E328-R332 PolarHBondContact OE2-NH1 2.63Å; E328-K419 WeakPolarHBondContact OE1-CE 3.06Å; E328-K419 IonicContact OE1-NZ 3.22Å; E328-K419 PolarHBondContact OE1-NZ 2.96Å; E328-E442 WeakPolarHBondContact CG-OE2 3.32Å; E328-E442 PolarHBondContact N-OE2 3.23Å
329	G	95.4	Very high	96.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-59.8	-28.4	-179.4	0	0	0	0	0	114	R42 G312 E313 F327	R42-G329 VanDerWaalsContact NH2-CA 3.31Å; G312-G329 CarbonylContact C-O 3.54Å; G312-G329 VanDerWaalsContact C-O 3.26Å; G312-G329 WeakPolarHBondContact CA-O 3.43Å; E313-G329 CarbonylContact C-O 3.47Å; E313-G329 VanDerWaalsContact C-O 3.3Å; E313-G329 PolarHBondContact N-O 3.3Å; F327-G329 VanDerWaalsContact C-N 3.28Å; F327-G329 PolarHBondContact O-N 3.11Å
330	S	97.4	Very high	96.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-98.2	-31.9	177.8	-176.4	0	0	0	0	113.5	P75 G312 K323 M324 S325 F327 E328	P75-S330 WeakPolarHBondContact CB-OG 3.37Å; G312-S330 PolarHBondContact N-O 2.92Å; K323-S330 VanDerWaalsContact CA-OG 3.31Å; K323-S330 WeakPolarHBondContact CA-OG 3.4Å; M324-S330 PolarHBondContact N-OG 2.87Å; S325-S330 VanDerWaalsContact O-CB 3.22Å; S325-S330 WeakPolarHBondContact O-CB 3.36Å; S325-S330 PolarHBondContact O-OG 2.9Å; S325-S330 VanDerWaalsContact O-OG 3.12Å; F327-S330 PolarHBondContact O-N 3.25Å; E328-S330 PolarHBondContact O-N 3.18Å; E328-S330 VanDerWaalsContact O-N 3.17Å
331	S	97.7	Very high	96.3	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-103.4	-26.2	-167.8	62.1	0	0	0	0	114.3	Y71 T72 M326 F327 E328	Y71-S331 WeakPolarHBondContact CA-O 3.24Å; T72-S331 WeakPolarHBondContact CG2-O 3.41Å; T72-S331 PolarHBondContact N-O 2.74Å; M326-S331 PolarHBondContact O-OG 3.48Å; F327-S331 WeakPolarHBondContact O-CB 3.25Å; F327-S331 PolarHBondContact O-N 3.35Å; F327-S331 PolarHBondContact O-OG 3.13Å; E328-S331 PolarHBondContact O-N 3.5Å
332	R	96.9	Very high	96.3	Very high	31 Å²	31	11.1 Å²	11.1	12%	0.117	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.2	178.4	-173.4	169.8	175.1	-175.4	-0.2	110.1	G41 F45 L68 N69 T70 Y71 E328	G41-R332 PolarHBondContact N-O 2.92Å; F45-R332 HydrophobicContact CE1-CG 4.37Å; F45-R332 VanDerWaalsContact CE1-NE 3.28Å; F45-R332 VanDerWaalsContact CZ-NE 3.26Å; F45-R332 VanDerWaalsContact CZ-NH2 3.3Å; L68-R332 PolarHBondContact O-NE 3.08Å; L68-R332 PolarHBondContact O-NH2 3.01Å; N69-R332 PolarHBondContact OD1-NH2 3.47Å; N69-R332 VanDerWaalsContact OD1-NH2 3.11Å; T70-R332 WeakPolarHBondContact O-CA 3.44Å; T70-R332 WeakPolarHBondContact O-CG 3.5Å; Y71-R332 HydrophobicContact CD1-CB 4.34Å; Y71-R332 HydrophobicContact CE1-CB 4.03Å; E328-R332 WeakPolarHBondContact O-CB 3.48Å; E328-R332 PolarHBondContact O-N 2.97Å; E328-R332 WeakPolarHBondContact OE2-CD 3.49Å; E328-R332 IonicContact OE2-CZ 3.86Å; E328-R332 IonicContact OE2-NE 3.49Å; E328-R332 IonicContact OE2-NH1 2.99Å; E328-R332 PolarHBondContact OE2-NH1 2.63Å
333	V	97.8	Very high	96.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	156.1	-171.8	-65	0	0	0	0	110.6	T70 A309 H311 L354	T70-V333 WeakPolarHBondContact CB-O 2.97Å; T70-V333 HydrophobicContact CG2-CG2 3.75Å; T70-V333 PolarHBondContact O-N 3.22Å; A309-V333 HydrophobicContact CB-CB 4.48Å; H311-V333 VanDerWaalsContact CA-CG1 3.47Å; V333-L354 HydrophobicContact CG2-CD1 4.23Å; V333-L354 HydrophobicContact CG2-CD2 3.83Å; V333-L354 HydrophobicContact CG2-CG 4.04Å
334	P	97.1	Very high	96.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.114	C	C	.	.			trans	-68.8	146.6	173.9	29.2	-35.2	0	0	0	109.8	F39 G41 F307 T308 A309 L336	F39-P334 HydrophobicContact CB-CG 4.3Å; F39-P334 HydrophobicContact CD1-CG 4.05Å; F39-P334 HydrophobicContact CG-CG 4.42Å; F39-P334 WeakPolarHBondContact O-CD 3.11Å; G41-P334 VanDerWaalsContact CA-N 3.29Å; F307-P334 HydrophobicContact CD1-CB 4.23Å; F307-P334 HydrophobicContact CD1-CG 4.25Å; F307-P334 HydrophobicContact CE1-CB 4.02Å; F307-P334 HydrophobicContact CE1-CG 3.72Å; T308-P334 VanDerWaalsContact CA-O 3.23Å; T308-P334 WeakPolarHBondContact CA-O 3.44Å; T308-P334 WeakPolarHBondContact CB-O 3.48Å; T308-P334 PolarHBondContact OG1-O 3.16Å; A309-P334 HydrophobicContact CB-CG 4.15Å; P334-L336 HydrophobicContact CB-CD1 4.07Å
335	L	98.4	Very high	96.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	115.9	162	173.9	63.5	0	0	0	109.7	F67 T70 I306 F307 I337 V352 L357	F67-L335 HydrophobicContact CB-CB 4.09Å; F67-L335 HydrophobicContact CB-CD2 4.14Å; F67-L335 HydrophobicContact CB-CG 4.25Å; F67-L335 HydrophobicContact CD1-CD2 4.4Å; F67-L335 HydrophobicContact CD2-CB 4.39Å; F67-L335 HydrophobicContact CD2-CD2 3.77Å; F67-L335 HydrophobicContact CD2-CG 3.72Å; F67-L335 HydrophobicContact CE2-CD2 4.23Å; F67-L335 HydrophobicContact CE2-CG 4.35Å; F67-L335 HydrophobicContact CG-CD2 3.86Å; F67-L335 HydrophobicContact CG-CG 4.15Å; F67-L335 PolarHBondContact N-O 3.27Å; T70-L335 HydrophobicContact CG2-CB 3.83Å; T70-L335 HydrophobicContact CG2-CD2 4.03Å; T70-L335 VanDerWaalsContact OG1-CB 3.31Å; T70-L335 WeakPolarHBondContact OG1-CB 3.35Å; I306-L335 HydrophobicContact CG2-CD1 3.91Å; F307-L335 WeakPolarHBondContact O-CA 3.06Å; L335-I337 HydrophobicContact CD1-CD1 4.17Å; L335-I337 HydrophobicContact CD1-CG1 4Å; L335-I337 HydrophobicContact CG-CD1 4.48Å; L335-I337 HydrophobicContact CG-CG1 4.36Å; L335-V352 HydrophobicContact CD2-CG2 4.17Å; L335-L357 HydrophobicContact CD1-CD1 4.44Å; L335-L357 HydrophobicContact CD1-CD2 3.86Å; L335-L357 HydrophobicContact CD2-CD2 4.37Å
336	L	98.1	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.9	178.4	-57.5	93.7	0	0	0	108.9	I57 L60 R61 S65 T66 I306 F307 P334	I57-L336 HydrophobicContact CD1-CD1 4.43Å; I57-L336 HydrophobicContact CG2-CD1 4.39Å; I57-L336 HydrophobicContact CG2-CD2 3.97Å; L60-L336 HydrophobicContact CB-CB 4.04Å; L60-L336 HydrophobicContact CB-CD2 3.94Å; L60-L336 HydrophobicContact CD1-CB 4.16Å; R61-L336 HydrophobicContact CB-CD2 4.36Å; R61-L336 HydrophobicContact CG-CD2 3.34Å; S65-L336 WeakPolarHBondContact O-CA 3.49Å; T66-L336 HydrophobicContact CG2-CD2 4.24Å; T66-L336 HydrophobicContact CG2-CG 4.28Å; I306-L336 WeakPolarHBondContact CA-O 3.33Å; F307-L336 HydrophobicContact CD1-CD1 3.85Å; F307-L336 PolarHBondContact N-O 2.91Å; F307-L336 PolarHBondContact O-N 2.71Å; P334-L336 HydrophobicContact CB-CD1 4.07Å
337	I	98.6	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.1	-178.6	-49.9	-176.2	0	0	0	109	G64 S65 F67 V304 L305 I306 L335 L342 V378 I382	G64-I337 CarbonylContact C-O 3.52Å; G64-I337 WeakPolarHBondContact CA-O 3.18Å; S65-I337 PolarHBondContact N-O 2.99Å; S65-I337 PolarHBondContact O-N 2.91Å; F67-I337 HydrophobicContact CE2-CD1 3.83Å; F67-I337 HydrophobicContact CE2-CG1 4.06Å; F67-I337 HydrophobicContact CZ-CD1 4.41Å; V304-I337 HydrophobicContact CG1-CG2 3.75Å; L305-I337 WeakPolarHBondContact O-CA 3.31Å; I306-I337 HydrophobicContact CG1-CG1 4.29Å; I306-I337 HydrophobicContact CG1-CG2 4.13Å; I306-I337 HydrophobicContact CG2-CG1 4.36Å; L335-I337 HydrophobicContact CD1-CD1 4.17Å; L335-I337 HydrophobicContact CD1-CG1 4Å; L335-I337 HydrophobicContact CG-CD1 4.48Å; L335-I337 HydrophobicContact CG-CG1 4.36Å; I337-L342 HydrophobicContact CG2-CD1 3.57Å; I337-V378 HydrophobicContact CD1-CG2 3.88Å; I337-I382 HydrophobicContact CB-CD1 3.95Å; I337-I382 HydrophobicContact CD1-CD1 3.97Å; I337-I382 HydrophobicContact CG1-CD1 4.49Å; I337-I382 HydrophobicContact CG2-CD1 3.93Å
338	M	97.9	Very high	96.3	Very high	13 Å²	13	26.5 Å²	26.5	6%	0.064	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.9	174.3	119.1	-174.3	-59.5	0	0	109.1	Y59 L60 L63 L300 V304 L305	Y59-M338 HydrophobicContact CD1-CE 4.13Å; Y59-M338 HydrophobicContact CD1-SD 4.5Å; Y59-M338 HydrophobicContact CE1-CE 3.51Å; Y59-M338 HydrophobicContact CE1-SD 3.82Å; L60-M338 HydrophobicContact CD2-CB 4.1Å; L60-M338 HydrophobicContact CD2-CE 4.29Å; L60-M338 HydrophobicContact CD2-CG 4.25Å; L60-M338 HydrophobicContact CD2-SD 3.57Å; L60-M338 VanDerWaalsContact CD2-SD 3.57Å; L63-M338 HydrophobicContact CB-CE 3.19Å; L63-M338 HydrophobicContact CD1-CE 3.81Å; L63-M338 HydrophobicContact CG-CE 4.16Å; L300-M338 HydrophobicContact CD1-SD 4.34Å; V304-M338 CarbonylContact C-O 3.56Å; V304-M338 VanDerWaalsContact CA-O 3.31Å; V304-M338 WeakPolarHBondContact CA-O 3.43Å; L305-M338 HydrophobicContact CB-CG 4.23Å; L305-M338 HydrophobicContact CD2-SD 4.32Å; L305-M338 PolarHBondContact N-O 2.98Å; L305-M338 PolarHBondContact O-N 3.4Å
339	G	96.7	Very high	96.1	Very high	21 Å²	21	32.1 Å²	32.1	22%	0.216	19%	0.193	C	C	.	.			trans	156.6	-178.6	171.6	0	0	0	0	0	114.3	T303 L342	T303-G339 WeakPolarHBondContact O-CA 3.42Å; G339-L342 PolarHBondContact O-N 3.46Å
340	P	94.3	Very high	96.1	Very high	51 Å²	51	35 Å²	35	33%	0.331	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	137.4	-179.3	25.6	-34.7	0	0	0	111.9	P29 D301 T303 L342	P29-P340 HydrophobicContact CB-CG 4.06Å; D301-P340 WeakPolarHBondContact O-CB 3.49Å; T303-P340 WeakPolarHBondContact O-CD 3.25Å; P340-L342 PolarHBondContact O-N 2.65Å
341	G	91.8	Very high	96.1	Very high	44 Å²	44	35.5 Å²	35.5	45%	0.454	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	3.5	177.4	0	0	0	0	0	115.1	T384	G341-T384 WeakPolarHBondContact O-CB 3.23Å; G341-T384 WeakPolarHBondContact O-CG2 3.15Å; G341-T384 PolarHBondContact O-N 3.21Å; G341-T384 PolarHBondContact O-OG1 3.48Å
342	L	95.1	Very high	96	Very high	25 Å²	25	35.5 Å²	35.5	13%	0.131	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-98.9	152.4	177.6	-52.5	-176.5	0	0	0	111	V304 I337 G339 P340 L379 I382	V304-L342 HydrophobicContact CG1-CD1 4.16Å; I337-L342 HydrophobicContact CG2-CD1 3.57Å; G339-L342 PolarHBondContact O-N 3.46Å; P340-L342 PolarHBondContact O-N 2.65Å; L342-L379 HydrophobicContact CD2-CD2 4.17Å; L342-I382 HydrophobicContact CD1-CD1 4.11Å; L342-I382 HydrophobicContact CD2-CD1 4.1Å; L342-I382 HydrophobicContact CD2-CG1 4.12Å
343	K	95.8	Very high	96	Very high	87 Å²	87	34.2 Å²	34.2	38%	0.378	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-69.9	140.5	175.4	-69.7	167.6	-179.8	162.3	0	110	G64 S65 L346 I382 S383 T384	G64-K343 CarbonylContact C-O 3.52Å; S65-K343 PolarHBondContact OG-O 3.19Å; K343-L346 HydrophobicContact CB-CB 4.09Å; K343-L346 HydrophobicContact CB-CD2 4.05Å; K343-L346 HydrophobicContact CD-CD2 3.69Å; K343-I382 WeakPolarHBondContact CB-O 3.36Å; K343-I382 WeakPolarHBondContact CG-O 3.25Å; K343-I382 PolarHBondContact N-O 3.18Å; K343-S383 WeakPolarHBondContact CE-O 3.34Å; K343-T384 HydrophobicContact CG-CG2 4.05Å
344	S	95.9	Very high	96.1	Very high	75 Å²	75	34.2 Å²	34.2	52%	0.524	21%	0.205	S	C	.	.	S	Bend	trans	-100.8	143.4	178.7	-177.4	0	0	0	0	110.7	E62 L63 G64 L346	E62-S344 PolarHBondContact O-OG 3.5Å; E62-S344 VanDerWaalsContact O-OG 3.1Å; L63-S344 VanDerWaalsContact CA-OG 3.31Å; L63-S344 WeakPolarHBondContact CA-OG 3.37Å; G64-S344 CarbonylContact O-C 3.57Å; S344-L346 PolarHBondContact O-N 2.73Å
345	G	94.4	Very high	96.1	Very high	48 Å²	48	34.2 Å²	34.2	50%	0.495	21%	0.205	S	C	.	.	S	Bend	trans	65.1	14.7	-179.2	0	0	0	0	0	115.1	E62 G64	E62-G345 PolarHBondContact O-N 2.78Å; G64-G345 PolarHBondContact O-N 2.86Å
346	L	95.7	Very high	96.1	Very high	47 Å²	47	34.4 Å²	34.4	25%	0.246	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134	-174.4	179.1	68.9	0	0	0	111.1	G64 S65 T66 K343 S344 V348 I382	G64-L346 PolarHBondContact O-N 2.88Å; G64-L346 VanDerWaalsContact O-N 3.14Å; S65-L346 CarbonylContact C-O 3.51Å; S65-L346 WeakPolarHBondContact CA-O 3.44Å; T66-L346 PolarHBondContact N-O 3.09Å; K343-L346 HydrophobicContact CB-CB 4.09Å; K343-L346 HydrophobicContact CB-CD2 4.05Å; K343-L346 HydrophobicContact CD-CD2 3.69Å; S344-L346 PolarHBondContact O-N 2.73Å; L346-V348 HydrophobicContact CD2-CG2 3.74Å; L346-V348 HydrophobicContact CG-CG2 3.99Å; L346-I382 HydrophobicContact CD2-CG2 4.25Å
347	Q	94.9	Very high	96.1	Very high	97 Å²	97	34.4 Å²	34.4	45%	0.453	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.2	165.9	-63.5	-175	12.9	0	0	109.8	T66 L68	T66-Q347 WeakPolarHBondContact O-CA 3.31Å; L68-Q347 HydrophobicContact CD1-CB 4.2Å; L68-Q347 HydrophobicContact CD2-CB 4.38Å; L68-Q347 HydrophobicContact CD2-CG 4.43Å; L68-Q347 HydrophobicContact CG-CB 4.39Å
348	V	94.9	Very high	96	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.6	-180	-176.8	0	0	0	0	108.9	T66 F67 L68 L346 Q350 L381 I382	T66-V348 PolarHBondContact O-N 3.42Å; F67-V348 HydrophobicContact CD1-CB 3.73Å; F67-V348 HydrophobicContact CD1-CG1 3.61Å; F67-V348 HydrophobicContact CD1-CG2 4.29Å; F67-V348 HydrophobicContact CE1-CB 4.02Å; F67-V348 HydrophobicContact CE1-CG1 3.71Å; F67-V348 HydrophobicContact CE1-CG2 4.16Å; F67-V348 HydrophobicContact CG-CB 4.15Å; F67-V348 HydrophobicContact CZ-CG2 4.38Å; L68-V348 PolarHBondContact N-O 3.31Å; L346-V348 HydrophobicContact CD2-CG2 3.74Å; L346-V348 HydrophobicContact CG-CG2 3.99Å; V348-Q350 HydrophobicContact CG1-CB 4Å; V348-L381 HydrophobicContact CG1-CB 4.23Å; V348-L381 HydrophobicContact CG1-CD1 4.12Å; V348-I382 HydrophobicContact CG2-CG2 3.74Å
349	H	93.8	Very high	95.9	Very high	124 Å²	124	34.6 Å²	34.6	57%	0.574	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	-14.4	-179.8	-69.5	-94.5	0	0	0	113.8	L68 N69 L351	L68-H349 WeakPolarHBondContact CD1-CE1 3.37Å; N69-H349 PolarHBondContact ND2-O 3.04Å; H349-L351 PolarHBondContact O-N 2.95Å
350	Q	95.3	Very high	95.9	Very high	59 Å²	59	33.6 Å²	33.6	28%	0.276	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	137.8	177.8	-170	63.4	36.4	0	0	110.2	V348 V352 L381 P394	V348-Q350 HydrophobicContact CG1-CB 4Å; Q350-V352 PolarHBondContact O-N 3.48Å; Q350-L381 HydrophobicContact CB-CD1 3.97Å; Q350-L381 HydrophobicContact CG-CD1 4.03Å; Q350-P394 PolarHBondContact NE2-O 3.45Å
351	L	96.3	Very high	96	Very high	11 Å²	11	31.2 Å²	31.2	6%	0.058	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.7	170.6	-66.4	178.3	0	0	0	108.5	N69 Y71 H349 H393 E395 V397 R414	N69-L351 HydrophobicContact CB-CD2 3.66Å; Y71-L351 HydrophobicContact CE2-CD2 4.08Å; H349-L351 PolarHBondContact O-N 2.95Å; L351-H393 PolarHBondContact O-CE1 3.04Å; L351-H393 PolarHBondContact O-ND1 3.42Å; L351-E395 WeakPolarHBondContact CD1-O 3.22Å; L351-V397 HydrophobicContact CB-CG1 3.92Å; L351-V397 HydrophobicContact CB-CG2 4.46Å; L351-R414 HydrophobicContact CD1-CB 4.41Å; L351-R414 HydrophobicContact CD1-CG 3.84Å; L351-R414 WeakPolarHBondContact CD1-O 3.43Å; L351-R414 HydrophobicContact CD2-CG 3.8Å; L351-R414 HydrophobicContact CG-CG 4.5Å
352	V	97.2	Very high	96.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.9	177.1	-61.4	0	0	0	0	110.1	F67 N69 T70 Y71 L335 Q350 V378 L381	F67-V352 HydrophobicContact CB-CG2 4.01Å; F67-V352 HydrophobicContact CD1-CB 4.44Å; F67-V352 HydrophobicContact CD1-CG1 3.93Å; F67-V352 HydrophobicContact CD1-CG2 3.69Å; F67-V352 HydrophobicContact CE1-CG1 4.14Å; F67-V352 HydrophobicContact CG-CG2 4.14Å; N69-V352 PolarHBondContact O-N 3.26Å; T70-V352 CarbonylContact C-O 3.59Å; T70-V352 VanDerWaalsContact CA-O 3.3Å; T70-V352 WeakPolarHBondContact CA-O 3.16Å; T70-V352 HydrophobicContact CG2-CG2 3.98Å; T70-V352 VanDerWaalsContact OG1-CG2 3.22Å; T70-V352 WeakPolarHBondContact OG1-CG2 3.38Å; Y71-V352 PolarHBondContact N-O 3.17Å; L335-V352 HydrophobicContact CD2-CG2 4.17Å; Q350-V352 PolarHBondContact O-N 3.48Å; V352-V378 HydrophobicContact CB-CG1 4.18Å; V352-V378 HydrophobicContact CG1-CG1 3.78Å; V352-L381 HydrophobicContact CG1-CD1 4.12Å
353	S	97	Very high	96.2	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.028	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.2	-175.9	-172.3	0	0	0	0	111.3	Y71 N73 V355 D356	Y71-S353 VanDerWaalsContact O-CA 3.26Å; Y71-S353 WeakPolarHBondContact O-CA 3.12Å; Y71-S353 PolarHBondContact O-OG 3.31Å; N73-S353 PolarHBondContact ND2-OG 3.3Å; S353-V355 PolarHBondContact O-N 2.95Å; S353-D356 WeakPolarHBondContact CA-OD2 3.3Å; S353-D356 PolarHBondContact N-OD2 2.92Å; S353-D356 WeakPolarHBondContact O-CB 3.36Å; S353-D356 PolarHBondContact O-N 2.69Å; S353-D356 VanDerWaalsContact O-N 3.07Å; S353-D356 VanDerWaalsContact O-OD2 3.1Å
354	L	98.3	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.8	-30.3	178.3	-65.2	178	0	0	0	113	T70 Y71 N73 S80 M84 T308 A309 V333 D356 L357	T70-L354 HydrophobicContact CG2-CD2 4.23Å; Y71-L354 PolarHBondContact O-N 3.4Å; Y71-L354 VanDerWaalsContact O-N 3.07Å; N73-L354 WeakPolarHBondContact OD1-CB 3.36Å; S80-L354 WeakPolarHBondContact OG-CD1 3.39Å; M84-L354 HydrophobicContact CB-CB 4.25Å; M84-L354 HydrophobicContact CG-CB 4.1Å; M84-L354 WeakPolarHBondContact CG-O 3.46Å; M84-L354 HydrophobicContact SD-CB 4.5Å; T308-L354 WeakPolarHBondContact OG1-CD2 3.06Å; A309-L354 VanDerWaalsContact O-CD1 3.22Å; A309-L354 WeakPolarHBondContact O-CD1 3.41Å; V333-L354 HydrophobicContact CG2-CD1 4.23Å; V333-L354 HydrophobicContact CG2-CD2 3.83Å; V333-L354 HydrophobicContact CG2-CG 4.04Å; L354-D356 PolarHBondContact O-N 3.1Å; L354-D356 VanDerWaalsContact O-N 3.12Å; L354-L357 HydrophobicContact CD2-CD1 4.04Å; L354-L357 VanDerWaalsContact O-CB 3.28Å; L354-L357 WeakPolarHBondContact O-CB 3.21Å; L354-L357 PolarHBondContact O-N 3.13Å
355	V	97.4	Very high	96.1	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-59.4	-23.9	176.4	70.6	0	0	0	0	112.9	N73 G87 F89 S353 L357 H358 P359	N73-V355 WeakPolarHBondContact ND2-CB 3.45Å; N73-V355 WeakPolarHBondContact ND2-CG1 3.43Å; N73-V355 PolarHBondContact OD1-N 3.23Å; G87-V355 WeakPolarHBondContact O-CG2 3.4Å; F89-V355 HydrophobicContact CD1-CG1 4.32Å; F89-V355 HydrophobicContact CE1-CG1 3.72Å; F89-V355 HydrophobicContact CZ-CG1 4.33Å; S353-V355 PolarHBondContact O-N 2.95Å; V355-L357 PolarHBondContact O-N 3.34Å; V355-H358 PolarHBondContact O-N 3.46Å; V355-P359 WeakPolarHBondContact O-CD 2.98Å
356	D	97.8	Very high	96	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-67.3	-21.7	175.8	-61.4	-31.5	0	0	0	112.6	S353 L354 H358 P359 T360 G375 H376 V378 H393	S353-D356 WeakPolarHBondContact CA-OD2 3.3Å; S353-D356 PolarHBondContact N-OD2 2.92Å; S353-D356 WeakPolarHBondContact O-CB 3.36Å; S353-D356 PolarHBondContact O-N 2.69Å; S353-D356 VanDerWaalsContact O-N 3.07Å; S353-D356 VanDerWaalsContact O-OD2 3.1Å; L354-D356 PolarHBondContact O-N 3.1Å; L354-D356 VanDerWaalsContact O-N 3.12Å; D356-H358 PolarHBondContact O-N 3.38Å; D356-P359 VanDerWaalsContact O-CD 3.29Å; D356-P359 WeakPolarHBondContact O-CD 3.28Å; D356-P359 WeakPolarHBondContact O-CG 2.93Å; D356-T360 VanDerWaalsContact O-CB 3.31Å; D356-T360 WeakPolarHBondContact O-CB 3.41Å; D356-T360 PolarHBondContact O-N 3.01Å; D356-T360 VanDerWaalsContact O-N 3.12Å; D356-T360 PolarHBondContact O-OG1 3.23Å; D356-G375 WeakPolarHBondContact OD1-CA 3.36Å; D356-H376 WeakPolarHBondContact CB-O 3.31Å; D356-H376 PolarHBondContact OD1-N 3.07Å; D356-V378 HydrophobicContact CB-CG1 3.93Å; D356-H393 IonicContact OD1-NE2 3.76Å; D356-H393 IonicContact OD2-CE1 3.9Å; D356-H393 IonicContact OD2-NE2 3.03Å; D356-H393 PolarHBondContact OD2-NE2 2.74Å
357	L	98.1	Very high	95.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-27.5	178.5	-67.2	177.3	0	0	0	112.3	M33 M84 W109 I306 T308 L335 L354 V355 T360 V361	M33-L357 HydrophobicContact CE-CD1 4.23Å; M84-L357 HydrophobicContact CG-CB 4.23Å; M84-L357 HydrophobicContact CG-CD1 4.23Å; M84-L357 HydrophobicContact SD-CD1 3.81Å; W109-L357 HydrophobicContact CH2-CB 4.2Å; W109-L357 HydrophobicContact CZ3-CB 4.04Å; I306-L357 HydrophobicContact CG2-CD2 4.41Å; T308-L357 HydrophobicContact CG2-CD1 4.07Å; L335-L357 HydrophobicContact CD1-CD1 4.44Å; L335-L357 HydrophobicContact CD1-CD2 3.86Å; L335-L357 HydrophobicContact CD2-CD2 4.37Å; L354-L357 HydrophobicContact CD2-CD1 4.04Å; L354-L357 VanDerWaalsContact O-CB 3.28Å; L354-L357 WeakPolarHBondContact O-CB 3.21Å; L354-L357 PolarHBondContact O-N 3.13Å; V355-L357 PolarHBondContact O-N 3.34Å; L357-T360 PolarHBondContact O-N 3.09Å; L357-V361 WeakPolarHBondContact O-CB 3.27Å; L357-V361 VanDerWaalsContact O-CG2 3.26Å; L357-V361 WeakPolarHBondContact O-CG2 3.34Å; L357-V361 PolarHBondContact O-N 3.37Å
358	H	97.4	Very high	95.6	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.037	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-62.3	176.8	-173.2	107.3	0	0	0	112.6	M84 W85 G87 W109 V355 D356 T360 V361 L362	M84-H358 WeakPolarHBondContact O-CB 3.36Å; W85-H358 PolarHBondContact O-CE1 3.3Å; W85-H358 PolarHBondContact O-ND1 3.06Å; G87-H358 VanDerWaalsContact CA-CB 3.5Å; G87-H358 PolarHBondContact N-ND1 3.01Å; W109-H358 VanDerWaalsContact CE3-CA 3.5Å; W109-H358 HydrophobicContact CE3-CB 3.77Å; W109-H358 AromaticContact CE3-ND1 3.77Å; W109-H358 HydrophobicContact CZ3-CB 4.13Å; V355-H358 PolarHBondContact O-N 3.46Å; D356-H358 PolarHBondContact O-N 3.38Å; H358-T360 PolarHBondContact O-N 3.37Å; H358-V361 PolarHBondContact O-N 3Å; H358-L362 WeakPolarHBondContact O-CG 3.36Å; H358-L362 PolarHBondContact O-N 3.12Å
359	P	96.1	Very high	95	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.058	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-30.9	176.4	26.1	-35.2	0	0	0	112.4	V355 D356 L362 E363 A369 L373	V355-P359 WeakPolarHBondContact O-CD 2.98Å; D356-P359 VanDerWaalsContact O-CD 3.29Å; D356-P359 WeakPolarHBondContact O-CD 3.28Å; D356-P359 WeakPolarHBondContact O-CG 2.93Å; P359-L362 PolarHBondContact O-N 3.25Å; P359-E363 WeakPolarHBondContact O-CB 3.43Å; P359-E363 PolarHBondContact O-N 2.79Å; P359-A369 HydrophobicContact CB-CB 4.14Å; P359-L373 HydrophobicContact CB-CD1 4.48Å
360	T	96.2	Very high	94.3	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-49.6	176.6	-58.3	0	0	0	0	111.8	D356 L357 H358 L362 E363 I364 S377 V378 L379	D356-T360 VanDerWaalsContact O-CB 3.31Å; D356-T360 WeakPolarHBondContact O-CB 3.41Å; D356-T360 PolarHBondContact O-N 3.01Å; D356-T360 VanDerWaalsContact O-N 3.12Å; D356-T360 PolarHBondContact O-OG1 3.23Å; L357-T360 PolarHBondContact O-N 3.09Å; H358-T360 PolarHBondContact O-N 3.37Å; T360-L362 VanDerWaalsContact C-N 3.33Å; T360-L362 PolarHBondContact O-N 3.45Å; T360-E363 PolarHBondContact O-N 3.18Å; T360-I364 HydrophobicContact CG2-CD1 4.1Å; T360-I364 VanDerWaalsContact O-CG1 3.27Å; T360-I364 WeakPolarHBondContact O-CG1 3.45Å; T360-I364 PolarHBondContact O-N 3.15Å; T360-S377 WeakPolarHBondContact OG1-CA 3.42Å; T360-V378 HydrophobicContact CG2-CG2 3.74Å; T360-V378 PolarHBondContact OG1-N 3.22Å; T360-L379 HydrophobicContact CG2-CD2 4.07Å; T360-L379 HydrophobicContact CG2-CG 4.04Å
361	V	97.1	Very high	93.6	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-40	179.8	165.3	0	0	0	0	111.3	I31 M33 W109 L113 I306 L357 H358 I364 A365	I31-V361 HydrophobicContact CD1-CG1 4.17Å; M33-V361 HydrophobicContact CE-CG2 4.09Å; W109-V361 HydrophobicContact CB-CG1 4.32Å; W109-V361 HydrophobicContact CG-CG1 4.25Å; L113-V361 HydrophobicContact CD1-CG1 3.72Å; L113-V361 HydrophobicContact CD2-CG1 4.46Å; L113-V361 HydrophobicContact CG-CG1 4.41Å; I306-V361 HydrophobicContact CD1-CG2 4.1Å; L357-V361 WeakPolarHBondContact O-CB 3.27Å; L357-V361 VanDerWaalsContact O-CG2 3.26Å; L357-V361 WeakPolarHBondContact O-CG2 3.34Å; L357-V361 PolarHBondContact O-N 3.37Å; H358-V361 PolarHBondContact O-N 3Å; V361-I364 PolarHBondContact O-N 2.61Å; V361-A365 PolarHBondContact O-N 3.06Å
362	L	95.9	Very high	93.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-43.2	175.3	-64.8	-175.4	0	0	0	111.8	W109 L112 H358 P359 T360 I364 A365 G366 I367 A369	W109-L362 HydrophobicContact CB-CD2 4.21Å; L112-L362 HydrophobicContact CB-CD2 3.75Å; L112-L362 HydrophobicContact CD1-CD1 3.73Å; L112-L362 HydrophobicContact CD1-CD2 3.83Å; L112-L362 HydrophobicContact CD1-CG 4.42Å; L112-L362 HydrophobicContact CG-CD2 4.45Å; H358-L362 WeakPolarHBondContact O-CG 3.36Å; H358-L362 PolarHBondContact O-N 3.12Å; P359-L362 PolarHBondContact O-N 3.25Å; T360-L362 VanDerWaalsContact C-N 3.33Å; T360-L362 PolarHBondContact O-N 3.45Å; L362-I364 PolarHBondContact O-N 3.42Å; L362-A365 CarbonylContact O-C 3.48Å; L362-A365 PolarHBondContact O-N 3.22Å; L362-A365 VanDerWaalsContact O-N 3.11Å; L362-G366 PolarHBondContact O-N 2.87Å; L362-G366 VanDerWaalsContact O-N 3.17Å; L362-I367 CarbonylContact C-O 3.44Å; L362-I367 HydrophobicContact CB-CB 4.09Å; L362-I367 HydrophobicContact CB-CG2 4.42Å; L362-I367 HydrophobicContact CD2-CB 4.29Å; L362-I367 HydrophobicContact CD2-CD1 3.99Å; L362-I367 HydrophobicContact CD2-CG2 4.21Å; L362-I367 WeakPolarHBondContact O-CB 3.42Å; L362-I367 PolarHBondContact O-N 3.47Å; L362-A369 HydrophobicContact CD1-CB 4.21Å
363	E	93.9	Very high	93	Very high	59 Å²	59	32.6 Å²	32.6	28%	0.276	22%	0.221	S	C	.	.	H	α-helix	trans	-65.2	-39.6	178.4	-166.7	179.8	-179	0	0	111.8	P359 T360 A365 G366 S377 L379 V388	P359-E363 WeakPolarHBondContact O-CB 3.43Å; P359-E363 PolarHBondContact O-N 2.79Å; T360-E363 PolarHBondContact O-N 3.18Å; E363-A365 PolarHBondContact O-N 3.03Å; E363-G366 PolarHBondContact O-N 3.14Å; E363-S377 WeakPolarHBondContact OE2-CB 3.37Å; E363-S377 PolarHBondContact OE2-OG 3.5Å; E363-L379 HydrophobicContact CB-CD1 3.83Å; E363-L379 HydrophobicContact CG-CD1 3.73Å; E363-V388 WeakPolarHBondContact OE1-CG1 3.42Å
364	I	94.4	Very high	93	Very high	17 Å²	17	33.1 Å²	33.1	9%	0.087	23%	0.225	C	C	.	.	H	α-helix	trans	-55.2	-38.9	172.7	-69.1	163	0	0	0	110.8	P29 I31 V304 I306 T360 V361 L362 G366 L379	P29-I364 HydrophobicContact CG-CG2 3.59Å; I31-I364 HydrophobicContact CD1-CB 4.2Å; I31-I364 HydrophobicContact CD1-CG2 3.8Å; I31-I364 HydrophobicContact CG1-CG2 3.76Å; V304-I364 HydrophobicContact CB-CD1 4.4Å; V304-I364 HydrophobicContact CB-CG2 4.32Å; V304-I364 HydrophobicContact CG1-CD1 3.78Å; V304-I364 HydrophobicContact CG2-CG2 3.9Å; I306-I364 HydrophobicContact CD1-CD1 4.45Å; T360-I364 HydrophobicContact CG2-CD1 4.1Å; T360-I364 VanDerWaalsContact O-CG1 3.27Å; T360-I364 WeakPolarHBondContact O-CG1 3.45Å; T360-I364 PolarHBondContact O-N 3.15Å; V361-I364 PolarHBondContact O-N 2.61Å; L362-I364 PolarHBondContact O-N 3.42Å; I364-G366 VanDerWaalsContact C-N 3.3Å; I364-G366 PolarHBondContact O-N 2.76Å; I364-L379 HydrophobicContact CD1-CD2 4.25Å; I364-L379 HydrophobicContact CG1-CD1 3.83Å; I364-L379 HydrophobicContact CG1-CD2 3.81Å; I364-L379 HydrophobicContact CG1-CG 4.21Å
365	A	94.9	Very high	92.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.8	179.4	0	0	0	0	0	114.4	I31 L113 Y118 V361 L362 E363 I367	I31-A365 HydrophobicContact CD1-CB 4.29Å; L113-A365 HydrophobicContact CD2-CB 3.33Å; Y118-A365 HydrophobicContact CE2-CB 3.66Å; V361-A365 PolarHBondContact O-N 3.06Å; L362-A365 CarbonylContact O-C 3.48Å; L362-A365 PolarHBondContact O-N 3.22Å; L362-A365 VanDerWaalsContact O-N 3.11Å; E363-A365 PolarHBondContact O-N 3.03Å; A365-I367 VanDerWaalsContact C-N 3.32Å; A365-I367 HydrophobicContact CB-CD1 3.92Å; A365-I367 HydrophobicContact CB-CG1 4.03Å
366	G	92.6	Very high	92.6	Very high	54 Å²	54	36.3 Å²	36.3	56%	0.557	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	35.3	-174	0	0	0	0	0	112.8	L362 E363 I364	L362-G366 PolarHBondContact O-N 2.87Å; L362-G366 VanDerWaalsContact O-N 3.17Å; E363-G366 PolarHBondContact O-N 3.14Å; I364-G366 VanDerWaalsContact C-N 3.3Å; I364-G366 PolarHBondContact O-N 2.76Å
367	I	93.3	Very high	92.4	Very high	32 Å²	32	36.9 Å²	36.9	16%	0.164	25%	0.246	C	C	.	.			trans	-104.1	123.8	173.8	-57.4	170.8	0	0	0	107.6	L113 K116 L362 A365 A369	L113-I367 HydrophobicContact CD2-CD1 4.05Å; K116-I367 HydrophobicContact CB-CD1 3.64Å; K116-I367 HydrophobicContact CB-CG1 4.03Å; K116-I367 HydrophobicContact CD-CG1 4.09Å; K116-I367 HydrophobicContact CG-CD1 3.93Å; K116-I367 HydrophobicContact CG-CG1 3.81Å; L362-I367 CarbonylContact C-O 3.44Å; L362-I367 HydrophobicContact CB-CB 4.09Å; L362-I367 HydrophobicContact CB-CG2 4.42Å; L362-I367 HydrophobicContact CD2-CB 4.29Å; L362-I367 HydrophobicContact CD2-CD1 3.99Å; L362-I367 HydrophobicContact CD2-CG2 4.21Å; L362-I367 WeakPolarHBondContact O-CB 3.42Å; L362-I367 PolarHBondContact O-N 3.47Å; A365-I367 VanDerWaalsContact C-N 3.32Å; A365-I367 HydrophobicContact CB-CD1 3.92Å; A365-I367 HydrophobicContact CB-CG1 4.03Å; I367-A369 PolarHBondContact O-N 2.84Å
368	S	89.1	Confident	92.3	Very high	104 Å²	104	37 Å²	37	73%	0.727	25%	0.247	S	C	*	.			trans	-66.5	123.2	171	-59.8	0	0	0	0	109.5	V370	S368-V370 PolarHBondContact O-N 2.97Å
369	A	83.8	Confident	92.1	Very high	47 Å²	47	37.4 Å²	37.4	39%	0.388	25%	0.249	S	C	.	.			trans	-67.1	128.8	174.3	0	0	0	0	0	109.1	P359 L362 I367 L373	P359-A369 HydrophobicContact CB-CB 4.14Å; L362-A369 HydrophobicContact CD1-CB 4.21Å; I367-A369 PolarHBondContact O-N 2.84Å; A369-L373 HydrophobicContact CB-CD1 3.49Å; A369-L373 VanDerWaalsContact CB-CD1 3.49Å
370	V	78.4	Confident	91.9	Very high	113 Å²	113	39 Å²	39	69%	0.685	26%	0.26	S	S	*	.			trans	-127.1	152	-178.3	-65.3	0	0	0	0	110.3	S368	S368-V370 PolarHBondContact O-N 2.97Å
371	G	80.8	Confident	91.8	Very high	73 Å²	73	41.5 Å²	41.5	75%	0.753	27%	0.273	S	S	*	.	S	Bend	trans	98.2	-174.8	178.2	0	0	0	0	0	113.6	L373	G371-L373 VanDerWaalsContact C-N 3.32Å; G371-L373 PolarHBondContact O-N 3.48Å
372	N	87.6	Confident	91.7	Very high	113 Å²	113	41.4 Å²	41.4	60%	0.604	27%	0.272	S	S	*	.	S	Bend	trans	-83.6	77.6	-179	-171.6	31.1	0	0	0	110.1	Q88	Q88-N372 PolarHBondContact NE2-O 3.01Å
373	L	93.7	Very high	91.6	Very high	42 Å²	42	42.2 Å²	42.2	22%	0.22	28%	0.278	C	S	.	.			trans	-86.7	140.6	177.8	-58.6	178.8	0	0	0	110.4	G87 P359 A369 G371	G87-L373 CarbonylContact O-C 3.58Å; G87-L373 WeakPolarHBondContact O-CA 3.41Å; P359-L373 HydrophobicContact CB-CD1 4.48Å; A369-L373 HydrophobicContact CB-CD1 3.49Å; A369-L373 VanDerWaalsContact CB-CD1 3.49Å; G371-L373 VanDerWaalsContact C-N 3.32Å; G371-L373 PolarHBondContact O-N 3.48Å
374	S	95.4	Very high	91.3	Very high	16 Å²	16	43.8 Å²	43.8	11%	0.112	29%	0.292	C	S	.	.			trans	-90.8	-23.7	173.9	-55.6	0	0	0	0	112.9	G87 F89 L92	G87-S374 PolarHBondContact O-N 2.87Å; F89-S374 VanDerWaalsContact CD2-CB 3.45Å; F89-S374 WeakPolarHBondContact CD2-OG 3.41Å; F89-S374 PolarHBondContact N-OG 3.37Å; L92-S374 WeakPolarHBondContact CD1-OG 3.35Å
375	G	93.8	Very high	90.7	Very high	9 Å²	9	45.9 Å²	45.9	9%	0.093	31%	0.308	C	S	.	.			trans	-89	160	-177.8	0	0	0	0	0	114	D356	D356-G375 WeakPolarHBondContact OD1-CA 3.36Å
376	H	93.7	Very high	89.4	Confident	58 Å²	58	57.2 Å²	57.2	27%	0.269	35%	0.35	S	S	.	.			trans	-123.8	136.1	175.7	-58.9	77.1	0	0	0	109.1	D356 V378 H393 P394	D356-H376 WeakPolarHBondContact CB-O 3.31Å; D356-H376 PolarHBondContact OD1-N 3.07Å; H376-V378 PolarHBondContact O-N 2.87Å; H376-H393 HydrophobicContact CB-CB 4.5Å; H376-P394 VanDerWaalsContact ND1-CD 3.33Å; H376-P394 WeakPolarHBondContact ND1-CD 3.43Å
377	S	94.7	Very high	88.1	Confident	17 Å²	17	62 Å²	62	12%	0.119	36%	0.363	C	S	.	.			trans	-59.7	136.7	179.8	176.5	0	0	0	0	111.7	T360 E363 L379 P380	T360-S377 WeakPolarHBondContact OG1-CA 3.42Å; E363-S377 WeakPolarHBondContact OE2-CB 3.37Å; E363-S377 PolarHBondContact OE2-OG 3.5Å; S377-L379 PolarHBondContact OG-N 2.96Å; S377-P380 VanDerWaalsContact O-CD 3.27Å; S377-P380 WeakPolarHBondContact O-CD 3.42Å
378	V	95.6	Very high	86.7	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	36%	0.363	C	S	.	.	S	Bend	trans	-89.2	-5.2	175.7	-57.7	0	0	0	0	113.1	F67 I337 V352 D356 T360 H376 P380 L381	F67-V378 HydrophobicContact CE1-CB 3.75Å; F67-V378 HydrophobicContact CE1-CG1 4.12Å; F67-V378 HydrophobicContact CE1-CG2 4.14Å; F67-V378 HydrophobicContact CE2-CG2 4.32Å; F67-V378 HydrophobicContact CZ-CB 3.7Å; F67-V378 HydrophobicContact CZ-CG1 4.44Å; F67-V378 HydrophobicContact CZ-CG2 3.62Å; I337-V378 HydrophobicContact CD1-CG2 3.88Å; V352-V378 HydrophobicContact CB-CG1 4.18Å; V352-V378 HydrophobicContact CG1-CG1 3.78Å; D356-V378 HydrophobicContact CB-CG1 3.93Å; T360-V378 HydrophobicContact CG2-CG2 3.74Å; T360-V378 PolarHBondContact OG1-N 3.22Å; H376-V378 PolarHBondContact O-N 2.87Å; V378-P380 VanDerWaalsContact C-N 3.32Å; V378-L381 HydrophobicContact CB-CD1 4.34Å; V378-L381 WeakPolarHBondContact O-CB 3.47Å; V378-L381 PolarHBondContact O-N 3.46Å
379	L	93.6	Very high	85.5	Confident	17 Å²	17	59.9 Å²	59.9	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-53.7	-38.9	177.6	-71.4	-169.3	0	0	0	114.4	L342 T360 E363 I364 S377 L381 I382 S383 V388	L342-L379 HydrophobicContact CD2-CD2 4.17Å; T360-L379 HydrophobicContact CG2-CD2 4.07Å; T360-L379 HydrophobicContact CG2-CG 4.04Å; E363-L379 HydrophobicContact CB-CD1 3.83Å; E363-L379 HydrophobicContact CG-CD1 3.73Å; I364-L379 HydrophobicContact CD1-CD2 4.25Å; I364-L379 HydrophobicContact CG1-CD1 3.83Å; I364-L379 HydrophobicContact CG1-CD2 3.81Å; I364-L379 HydrophobicContact CG1-CG 4.21Å; S377-L379 PolarHBondContact OG-N 2.96Å; L379-L381 PolarHBondContact O-N 3.31Å; L379-L381 VanDerWaalsContact O-N 3.12Å; L379-I382 HydrophobicContact CD2-CD1 4.25Å; L379-I382 HydrophobicContact CD2-CG1 4.41Å; L379-I382 PolarHBondContact O-N 3.2Å; L379-I382 VanDerWaalsContact O-N 3.1Å; L379-S383 VanDerWaalsContact O-CB 3.27Å; L379-S383 WeakPolarHBondContact O-CB 3.41Å; L379-S383 PolarHBondContact O-N 3.03Å; L379-V388 HydrophobicContact CB-CG1 4.19Å
380	P	92.3	Very high	84.4	Confident	43 Å²	43	66.7 Å²	66.7	28%	0.279	37%	0.371	S	S	.	.	H	α-helix	trans	-58.6	-26.7	177.9	-23.4	33.3	0	0	0	113.5	S377 V378 V388 S389	S377-P380 VanDerWaalsContact O-CD 3.27Å; S377-P380 WeakPolarHBondContact O-CD 3.42Å; V378-P380 VanDerWaalsContact C-N 3.32Å; P380-V388 HydrophobicContact CB-CG1 4.22Å; P380-V388 HydrophobicContact CG-CG1 3.76Å; P380-S389 WeakPolarHBondContact CG-O 3Å
381	L	93.4	Very high	83.7	Confident	52 Å²	52	66.2 Å²	66.2	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-76.7	-31.9	-179.4	-55.8	174.9	0	0	0	111.8	F67 V348 Q350 V352 V378 L379	F67-L381 HydrophobicContact CE1-CB 4.45Å; F67-L381 HydrophobicContact CE1-CD1 4Å; V348-L381 HydrophobicContact CG1-CB 4.23Å; V348-L381 HydrophobicContact CG1-CD1 4.12Å; Q350-L381 HydrophobicContact CB-CD1 3.97Å; Q350-L381 HydrophobicContact CG-CD1 4.03Å; V352-L381 HydrophobicContact CG1-CD1 4.12Å; V378-L381 HydrophobicContact CB-CD1 4.34Å; V378-L381 WeakPolarHBondContact O-CB 3.47Å; V378-L381 PolarHBondContact O-N 3.46Å; L379-L381 PolarHBondContact O-N 3.31Å; L379-L381 VanDerWaalsContact O-N 3.12Å
382	I	95	Very high	83.4	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-116.5	-11.2	-167.9	61.3	170.1	0	0	0	114.5	S65 F67 I337 L342 K343 L346 V348 L379	S65-I382 WeakPolarHBondContact OG-CG2 3.46Å; F67-I382 HydrophobicContact CE1-CG2 4.22Å; F67-I382 HydrophobicContact CE2-CD1 4.33Å; F67-I382 HydrophobicContact CE2-CG2 3.77Å; F67-I382 HydrophobicContact CZ-CD1 4.26Å; F67-I382 HydrophobicContact CZ-CG2 3.37Å; I337-I382 HydrophobicContact CB-CD1 3.95Å; I337-I382 HydrophobicContact CD1-CD1 3.97Å; I337-I382 HydrophobicContact CG1-CD1 4.49Å; I337-I382 HydrophobicContact CG2-CD1 3.93Å; L342-I382 HydrophobicContact CD1-CD1 4.11Å; L342-I382 HydrophobicContact CD2-CD1 4.1Å; L342-I382 HydrophobicContact CD2-CG1 4.12Å; K343-I382 WeakPolarHBondContact CB-O 3.36Å; K343-I382 WeakPolarHBondContact CG-O 3.25Å; K343-I382 PolarHBondContact N-O 3.18Å; L346-I382 HydrophobicContact CD2-CG2 4.25Å; V348-I382 HydrophobicContact CG2-CG2 3.74Å; L379-I382 HydrophobicContact CD2-CD1 4.25Å; L379-I382 HydrophobicContact CD2-CG1 4.41Å; L379-I382 PolarHBondContact O-N 3.2Å; L379-I382 VanDerWaalsContact O-N 3.1Å
383	S	92.5	Very high	83.3	Confident	19 Å²	19	67.2 Å²	67.2	13%	0.133	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-70.4	147	-178.9	-170.3	0	0	0	0	112.5	K343 L379 S385 V388	K343-S383 WeakPolarHBondContact CE-O 3.34Å; L379-S383 VanDerWaalsContact O-CB 3.27Å; L379-S383 WeakPolarHBondContact O-CB 3.41Å; L379-S383 PolarHBondContact O-N 3.03Å; S383-S385 VanDerWaalsContact C-N 3.35Å; S383-S385 PolarHBondContact OG-N 3.5Å; S383-S385 VanDerWaalsContact OG-N 3.12Å; S383-V388 WeakPolarHBondContact OG-CG2 3.44Å
384	T	88.9	Confident	83.2	Confident	91 Å²	91	66.3 Å²	66.3	56%	0.558	34%	0.343	S	S	*	.	S	Bend	trans	-79.9	-20	168.3	57.7	0	0	0	0	112.1	G341 K343	G341-T384 WeakPolarHBondContact O-CB 3.23Å; G341-T384 WeakPolarHBondContact O-CG2 3.15Å; G341-T384 PolarHBondContact O-N 3.21Å; G341-T384 PolarHBondContact O-OG1 3.48Å; K343-T384 HydrophobicContact CG-CG2 4.05Å
385	S	82.1	Confident	83.1	Confident	61 Å²	61	72.6 Å²	72.6	43%	0.427	37%	0.37	S	S	.	.			trans	-82	140	179.9	-177.6	0	0	0	0	111.6	S383 N387	S383-S385 VanDerWaalsContact C-N 3.35Å; S383-S385 PolarHBondContact OG-N 3.5Å; S383-S385 VanDerWaalsContact OG-N 3.12Å; S385-N387 VanDerWaalsContact C-N 3.32Å; S385-N387 PolarHBondContact OG-N 3.04Å
386	R	67.5	Low	83.2	Confident	240 Å²	240	74.8 Å²	74.8	91%	0.906	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.8	172.2	-65.5	-175.5	179.8	-176.9	0	113.3	V388	R386-V388 VanDerWaalsContact C-N 3.33Å
387	N	64.4	Low	83.4	Confident	155 Å²	155	72.2 Å²	72.2	83%	0.829	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	11	-176.3	-67.1	-9.2	0	0	0	113.7	S385	S385-N387 VanDerWaalsContact C-N 3.32Å; S385-N387 PolarHBondContact OG-N 3.04Å
388	V	63.8	Low	83.6	Confident	27 Å²	27	71.4 Å²	71.4	16%	0.164	36%	0.358	C	S	.	.	S	Bend	trans	-76.9	141.7	175.9	-168.4	0	0	0	0	109.3	E363 L379 P380 S383 R386 K390	E363-V388 WeakPolarHBondContact OE1-CG1 3.42Å; L379-V388 HydrophobicContact CB-CG1 4.19Å; P380-V388 HydrophobicContact CB-CG1 4.22Å; P380-V388 HydrophobicContact CG-CG1 3.76Å; S383-V388 WeakPolarHBondContact OG-CG2 3.44Å; R386-V388 VanDerWaalsContact C-N 3.33Å; V388-K390 PolarHBondContact O-N 3.43Å
389	S	63.8	Low	83.8	Confident	64 Å²	64	71.4 Å²	71.4	45%	0.448	36%	0.358	S	S	.	.			trans	-56.1	122.2	179	-168.3	0	0	0	0	110	P380 N391	P380-S389 WeakPolarHBondContact CG-O 3Å; S389-N391 PolarHBondContact O-N 3.4Å; S389-N391 PolarHBondContact OG-OD1 3.01Å
390	K	61.9	Low	84	Confident	189 Å²	189	70.6 Å²	70.6	82%	0.822	35%	0.354	S	S	*	.			trans	-81.4	69.7	172.4	-66.6	-175.1	-178.8	-178.6	0	108.9	V388	V388-K390 PolarHBondContact O-N 3.43Å
391	N	63.4	Low	84.3	Confident	104 Å²	104	68.7 Å²	68.7	56%	0.556	34%	0.341	S	S	*	.			trans	-75.3	127	163.9	-70.8	5.4	0	0	0	107	S389 H393	S389-N391 PolarHBondContact O-N 3.4Å; S389-N391 PolarHBondContact OG-OD1 3.01Å; N391-H393 PolarHBondContact O-N 2.85Å
392	E	73.2	Confident	84.4	Confident	182 Å²	182	66.2 Å²	66.2	85%	0.85	33%	0.328	S	S	*	.			trans	-66.4	109.1	175.3	-71.3	-177	169.8	0	0	108.3
393	H	87.3	Confident	84.4	Confident	25 Å²	25	66.2 Å²	66.2	12%	0.116	33%	0.328	C	S	.	.			trans	-69.5	132.4	169.1	-173	-67.8	0	0	0	107.9	L351 D356 H376 N391	L351-H393 PolarHBondContact O-CE1 3.04Å; L351-H393 PolarHBondContact O-ND1 3.42Å; D356-H393 IonicContact OD1-NE2 3.76Å; D356-H393 IonicContact OD2-CE1 3.9Å; D356-H393 IonicContact OD2-NE2 3.03Å; D356-H393 PolarHBondContact OD2-NE2 2.74Å; H376-H393 HydrophobicContact CB-CB 4.5Å; N391-H393 PolarHBondContact O-N 2.85Å
394	P	90.6	Very high	84.5	Confident	23 Å²	23	65.4 Å²	65.4	15%	0.149	32%	0.323	C	S	.	.			trans	-58.2	148.3	178.3	22.6	-32.4	0	0	0	111.5	Q350 H376 W396	Q350-P394 PolarHBondContact NE2-O 3.45Å; H376-P394 VanDerWaalsContact ND1-CD 3.33Å; H376-P394 WeakPolarHBondContact ND1-CD 3.43Å; P394-W396 HydrophobicContact CB-CD2 3.85Å; P394-W396 VanDerWaalsContact CB-CE2 3.47Å; P394-W396 HydrophobicContact CB-CG 3.97Å; P394-W396 HydrophobicContact CB-CZ2 3.95Å; P394-W396 HydrophobicContact CG-CD2 4.39Å; P394-W396 HydrophobicContact CG-CZ2 4.22Å; P394-W396 PolarHBondContact O-N 2.73Å; P394-W396 VanDerWaalsContact O-N 3.09Å
395	E	93.2	Very high	84.7	Confident	147 Å²	147	61.1 Å²	61.1	69%	0.687	30%	0.296	S	S	*	.	S	Bend	trans	-78.8	20.1	172.2	-61.4	-163.7	130.5	0	0	112.8	L351	L351-E395 WeakPolarHBondContact CD1-O 3.22Å
396	W	96.8	Very high	85.2	Confident	56 Å²	56	58.3 Å²	58.3	21%	0.212	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.4	-176.5	59.8	-102.5	0	0	0	111.7	F89 P394 L398 L413 R414 V415 L460 I464	F89-W396 HydrophobicContact CE2-CH2 4.22Å; F89-W396 HydrophobicContact CE2-CZ3 4.14Å; F89-W396 HydrophobicContact CZ-CH2 4.42Å; F89-W396 AromaticContact CZ-CZ3 3.99Å; F89-W396 HydrophobicContact CZ-CZ3 3.99Å; P394-W396 HydrophobicContact CB-CD2 3.85Å; P394-W396 VanDerWaalsContact CB-CE2 3.47Å; P394-W396 HydrophobicContact CB-CG 3.97Å; P394-W396 HydrophobicContact CB-CZ2 3.95Å; P394-W396 HydrophobicContact CG-CD2 4.39Å; P394-W396 HydrophobicContact CG-CZ2 4.22Å; P394-W396 PolarHBondContact O-N 2.73Å; P394-W396 VanDerWaalsContact O-N 3.09Å; W396-L398 HydrophobicContact CZ3-CB 4.29Å; W396-L413 HydrophobicContact CB-CD1 4.23Å; W396-L413 HydrophobicContact CD2-CD1 4.47Å; W396-L413 HydrophobicContact CE3-CD1 4.17Å; W396-R414 CarbonylContact C-O 3.56Å; W396-R414 WeakPolarHBondContact CA-O 3.31Å; W396-R414 WeakPolarHBondContact CB-O 3.26Å; W396-V415 HydrophobicContact CB-CG2 3.82Å; W396-L460 HydrophobicContact CB-CD2 4.49Å; W396-L460 HydrophobicContact CG-CD2 4.41Å; W396-I464 HydrophobicContact CD2-CD1 3.6Å; W396-I464 HydrophobicContact CE3-CD1 3.61Å; W396-I464 HydrophobicContact CG-CD1 4.33Å; W396-I464 HydrophobicContact CH2-CB 4.48Å; W396-I464 HydrophobicContact CH2-CD1 3.8Å; W396-I464 HydrophobicContact CH2-CG1 3.84Å; W396-I464 HydrophobicContact CH2-CG2 3.76Å; W396-I464 HydrophobicContact CZ2-CD1 3.76Å; W396-I464 HydrophobicContact CZ2-CG1 3.78Å; W396-I464 HydrophobicContact CZ3-CD1 3.72Å; W396-I464 HydrophobicContact CZ3-CG1 4.22Å; W396-I464 HydrophobicContact CZ3-CG2 3.95Å
397	V	98.1	Very high	86.4	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.7	169.4	-64.5	0	0	0	0	110.6	Y71 L351 R414	Y71-V397 HydrophobicContact CD2-CG2 3.69Å; Y71-V397 HydrophobicContact CE2-CG2 4.42Å; Y71-V397 HydrophobicContact CG-CG2 3.96Å; L351-V397 HydrophobicContact CB-CG1 3.92Å; L351-V397 HydrophobicContact CB-CG2 4.46Å; V397-R414 HydrophobicContact CG2-CB 3.58Å; V397-R414 HydrophobicContact CG2-CG 4.19Å; V397-R414 PolarHBondContact N-O 3.46Å; V397-R414 PolarHBondContact O-N 2.92Å
398	L	98.6	Very high	87.9	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.1	-177.3	176.8	68.3	0	0	0	110.7	F89 W396 E400 M412 L461 I464 V465	F89-L398 HydrophobicContact CD1-CD2 4.3Å; F89-L398 HydrophobicContact CD2-CD2 3.88Å; F89-L398 HydrophobicContact CE1-CB 4.08Å; F89-L398 HydrophobicContact CE1-CD2 4.42Å; F89-L398 HydrophobicContact CE2-CB 4.43Å; F89-L398 HydrophobicContact CE2-CD2 4.02Å; F89-L398 HydrophobicContact CG-CD2 4.06Å; F89-L398 HydrophobicContact CZ-CB 3.98Å; F89-L398 HydrophobicContact CZ-CD2 4.31Å; W396-L398 HydrophobicContact CZ3-CB 4.29Å; L398-E400 HydrophobicContact CD1-CG 4.27Å; L398-E400 HydrophobicContact CD2-CG 4.07Å; L398-E400 HydrophobicContact CG-CG 4.02Å; L398-M412 WeakPolarHBondContact CA-O 3.42Å; L398-L461 HydrophobicContact CD1-CD1 3.6Å; L398-I464 HydrophobicContact CD2-CG2 3.89Å; L398-V465 HydrophobicContact CD1-CG1 4.4Å; L398-V465 HydrophobicContact CD2-CG1 4.36Å
399	S	98.6	Very high	89.5	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.8	165.3	-158	0	0	0	0	110.5	T72 N73 S74 M326 Y411 M412	T72-S399 WeakPolarHBondContact O-CB 3.28Å; T72-S399 PolarHBondContact O-OG 2.84Å; N73-S399 VanDerWaalsContact C-OG 3.31Å; N73-S399 CarbonylContact O-C 3.26Å; N73-S399 WeakPolarHBondContact O-CA 3.02Å; N73-S399 PolarHBondContact O-OG 3.33Å; S74-S399 PolarHBondContact N-OG 2.9Å; M326-S399 WeakPolarHBondContact CE-O 3.49Å; S399-Y411 WeakPolarHBondContact O-CA 3.5Å; S399-M412 PolarHBondContact N-O 3.48Å; S399-M412 PolarHBondContact O-N 3.27Å
400	E	98.4	Very high	91.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.2	-175.9	-56.3	-178.4	-91.3	0	0	110.3	N73 S74 V90 H91 L398 T410 Y411	N73-E400 PolarHBondContact O-N 3.26Å; S74-E400 VanDerWaalsContact CA-O 3.25Å; S74-E400 WeakPolarHBondContact CA-O 3.34Å; S74-E400 WeakPolarHBondContact CB-O 3.38Å; S74-E400 PolarHBondContact OG-O 2.87Å; S74-E400 VanDerWaalsContact OG-O 3.09Å; V90-E400 HydrophobicContact CB-CB 4.11Å; V90-E400 PolarHBondContact N-OE1 3.24Å; V90-E400 VanDerWaalsContact N-OE1 3.14Å; H91-E400 WeakPolarHBondContact CB-OE2 3.2Å; H91-E400 IonicContact CE1-OE1 3.74Å; H91-E400 IonicContact CG-OE1 3.7Å; H91-E400 IonicContact CG-OE2 3.58Å; H91-E400 PolarHBondContact N-OE1 3.39Å; H91-E400 IonicContact ND1-OE1 3.91Å; H91-E400 PolarHBondContact ND1-OE1 2.64Å; H91-E400 IonicContact ND1-OE2 3.68Å; H91-E400 PolarHBondContact ND1-OE2 3.01Å; L398-E400 HydrophobicContact CD1-CG 4.27Å; L398-E400 HydrophobicContact CD2-CG 4.07Å; L398-E400 HydrophobicContact CG-CG 4.02Å; E400-T410 CarbonylContact C-O 3.55Å; E400-T410 WeakPolarHBondContact CA-O 3.34Å; E400-Y411 HydrophobicContact CG-CD1 4.09Å
401	Y	98	Very high	92.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	129.9	178.2	-170.4	-112.6	0	0	0	113.9	P75 I76 M324 G403 C404 A406 S409 T410	P75-Y401 HydrophobicContact CG-CD2 4.07Å; P75-Y401 HydrophobicContact CG-CG 4.11Å; I76-Y401 HydrophobicContact CB-CD2 4.37Å; I76-Y401 HydrophobicContact CB-CE2 3.73Å; I76-Y401 HydrophobicContact CD1-CE2 3.98Å; I76-Y401 HydrophobicContact CG1-CE2 4.46Å; I76-Y401 HydrophobicContact CG2-CD2 3.85Å; I76-Y401 HydrophobicContact CG2-CE2 3.47Å; I76-Y401 VanDerWaalsContact CG2-CE2 3.47Å; M324-Y401 HydrophobicContact CB-CD1 4.48Å; M324-Y401 HydrophobicContact CB-CE1 3.66Å; M324-Y401 HydrophobicContact CB-CE2 4.21Å; M324-Y401 WeakPolarHBondContact CB-OH 3.45Å; M324-Y401 HydrophobicContact CG-CE1 4.27Å; M324-Y401 HydrophobicContact CG-CE2 4.14Å; M324-Y401 WeakPolarHBondContact CG-OH 3.46Å; M324-Y401 PolarHBondContact SD-OH 3.18Å; Y401-G403 WeakPolarHBondContact OH-CA 3.5Å; Y401-C404 WeakPolarHBondContact CE1-O 3.21Å; Y401-C404 PolarHBondContact OH-N 3.26Å; Y401-C404 PolarHBondContact OH-O 3.37Å; Y401-A406 HydrophobicContact CD1-CB 3.73Å; Y401-A406 HydrophobicContact CE1-CB 3.56Å; Y401-S409 WeakPolarHBondContact O-CA 3.48Å; Y401-T410 PolarHBondContact N-O 3.29Å; Y401-T410 PolarHBondContact O-N 2.85Å
402	H	97	Very high	94.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.117	C	C	.	.			trans	-137.9	12.1	-173.9	-47.1	-70.6	0	0	0	114	W96 S409 Y411 V474	W96-H402 HydrophobicContact CB-CB 4.4Å; W96-H402 AromaticContact CE3-CD2 3.66Å; W96-H402 WeakPolarHBondContact O-CB 3.17Å; H402-S409 VanDerWaalsContact ND1-CB 3.35Å; H402-S409 WeakPolarHBondContact ND1-CB 3.37Å; H402-S409 PolarHBondContact ND1-OG 3.39Å; H402-S409 VanDerWaalsContact ND1-OG 3.1Å; H402-Y411 AromaticContact CE1-CE1 3.72Å; H402-Y411 AromaticContact CE1-CZ 3.64Å; H402-Y411 PolarHBondContact CE1-OH 2.86Å; H402-V474 HydrophobicContact CB-CG1 3.85Å; H402-V474 HydrophobicContact CB-CG2 3.97Å
403	G	94.9	Very high	95.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-91.6	-162.4	-174.8	0	0	0	0	0	115	R144 Y401	R144-G403 WeakPolarHBondContact CD-O 3.32Å; Y401-G403 WeakPolarHBondContact OH-CA 3.5Å
404	C	93.2	Very high	96.3	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.014	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	172	176.6	57.8	0	0	0	0	113.1	E140 A141 M324 Y401 A406	E140-C404 HydrophobicContact CB-CB 3.76Å; A141-C404 HydrophobicContact CB-CB 4.26Å; M324-C404 VanDerWaalsContact CE-SG 3.51Å; Y401-C404 WeakPolarHBondContact CE1-O 3.21Å; Y401-C404 PolarHBondContact OH-N 3.26Å; Y401-C404 PolarHBondContact OH-O 3.37Å; C404-A406 PolarHBondContact O-N 3.3Å
405	N	94.3	Very high	96.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	18.2	-177.3	-57.7	-73.5	0	0	0	116.5	Q152 S254 T257 K258 M324	Q152-N405 PolarHBondContact OE1-OD1 3.32Å; S254-N405 WeakPolarHBondContact CA-O 3.23Å; S254-N405 VanDerWaalsContact CB-O 3.27Å; S254-N405 WeakPolarHBondContact CB-O 3.46Å; S254-N405 PolarHBondContact OG-O 3.21Å; T257-N405 VanDerWaalsContact CB-OD1 3.26Å; T257-N405 WeakPolarHBondContact CB-OD1 3.27Å; T257-N405 WeakPolarHBondContact OG1-CA 3.17Å; T257-N405 WeakPolarHBondContact OG1-CB 3.41Å; T257-N405 PolarHBondContact OG1-OD1 2.88Å; K258-N405 HydrophobicContact CG-CB 4.22Å; M324-N405 HydrophobicContact SD-CB 3.66Å; M324-N405 PolarHBondContact SD-ND2 3.45Å
406	A	92.5	Very high	96.8	Very high	2 Å²	2	10.8 Å²	10.8	2%	0.017	7%	0.067	C	C	.	.			trans	-142.5	129.6	167	0	0	0	0	0	109.2	R144 Y401 C404	R144-A406 WeakPolarHBondContact CB-O 3.41Å; R144-A406 WeakPolarHBondContact CD-O 3.43Å; R144-A406 PolarHBondContact NH1-O 3.22Å; R144-A406 VanDerWaalsContact NH1-O 3.16Å; Y401-A406 HydrophobicContact CD1-CB 3.73Å; Y401-A406 HydrophobicContact CE1-CB 3.56Å; C404-A406 PolarHBondContact O-N 3.3Å
407	N	93.5	Very high	96.8	Very high	56 Å²	56	11.9 Å²	11.9	30%	0.299	8%	0.075	S	C	.	.	S	Bend	trans	-92.7	9.7	-177.4	63.7	-23	0	0	0	114.3	Y253	Y253-N407 HydrophobicContact CD1-CB 3.85Å; Y253-N407 HydrophobicContact CD2-CB 3.62Å; Y253-N407 HydrophobicContact CE1-CB 3.97Å; Y253-N407 HydrophobicContact CE2-CB 3.75Å; Y253-N407 HydrophobicContact CG-CB 3.67Å
408	A	95.3	Very high	96.8	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.033	8%	0.081	C	C	.	.	S	Bend	trans	-148	151.9	176.7	0	0	0	0	0	109.6	R144 V250 T410 Y423 A424 V429	R144-A408 PolarHBondContact NH1-O 3.17Å; V250-A408 HydrophobicContact CG2-CB 4.13Å; A408-T410 PolarHBondContact O-N 2.88Å; A408-T410 PolarHBondContact O-OG1 2.9Å; A408-Y423 HydrophobicContact CB-CD1 4.33Å; A408-A424 HydrophobicContact CB-CB 4.45Å; A408-V429 HydrophobicContact CB-CG2 4.4Å
409	S	97.6	Very high	96.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.			trans	-67.7	131.2	169	-67.9	0	0	0	0	107.4	R144 Y401 H402 Y411 Y423 A424 S471	R144-S409 VanDerWaalsContact NH2-CA 3.28Å; R144-S409 PolarHBondContact NH2-OG 2.84Å; Y401-S409 WeakPolarHBondContact O-CA 3.48Å; H402-S409 VanDerWaalsContact ND1-CB 3.35Å; H402-S409 WeakPolarHBondContact ND1-CB 3.37Å; H402-S409 PolarHBondContact ND1-OG 3.39Å; H402-S409 VanDerWaalsContact ND1-OG 3.1Å; S409-Y411 WeakPolarHBondContact CB-OH 3.39Å; S409-Y423 CarbonylContact O-C 3.3Å; S409-Y423 VanDerWaalsContact O-CA 3.25Å; S409-Y423 WeakPolarHBondContact O-CA 3.26Å; S409-A424 PolarHBondContact O-N 3.01Å; S409-S471 WeakPolarHBondContact CB-OG 3.29Å; S409-S471 PolarHBondContact OG-OG 3.31Å
410	T	98.3	Very high	96.8	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.043	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.6	-172.2	-55.5	0	0	0	0	109.9	M326 E400 Y401 A408 I421 Y423	M326-T410 HydrophobicContact CE-CG2 3.75Å; M326-T410 WeakPolarHBondContact CE-O 3.23Å; M326-T410 HydrophobicContact CG-CG2 3.49Å; M326-T410 VanDerWaalsContact CG-CG2 3.49Å; M326-T410 HydrophobicContact SD-CG2 4.49Å; E400-T410 CarbonylContact C-O 3.55Å; E400-T410 WeakPolarHBondContact CA-O 3.34Å; Y401-T410 PolarHBondContact N-O 3.29Å; Y401-T410 PolarHBondContact O-N 2.85Å; A408-T410 PolarHBondContact O-N 2.88Å; A408-T410 PolarHBondContact O-OG1 2.9Å; T410-I421 HydrophobicContact CG2-CG2 3.44Å; T410-I421 VanDerWaalsContact CG2-CG2 3.44Å; T410-Y423 HydrophobicContact CG2-CD1 3.91Å; T410-Y423 HydrophobicContact CG2-CE1 3.43Å; T410-Y423 VanDerWaalsContact CG2-CE1 3.43Å; T410-Y423 WeakPolarHBondContact OG1-CD1 3.43Å; T410-Y423 WeakPolarHBondContact OG1-CE1 3.4Å
411	Y	98.6	Very high	96.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	116.5	-177	-52.9	-92.5	0	0	0	108.7	S399 E400 H402 S409 I421 A422 V465 Y467 V470 S471	S399-Y411 WeakPolarHBondContact O-CA 3.5Å; E400-Y411 HydrophobicContact CG-CD1 4.09Å; H402-Y411 AromaticContact CE1-CE1 3.72Å; H402-Y411 AromaticContact CE1-CZ 3.64Å; H402-Y411 PolarHBondContact CE1-OH 2.86Å; S409-Y411 WeakPolarHBondContact CB-OH 3.39Å; Y411-I421 CarbonylContact O-C 3.56Å; Y411-I421 VanDerWaalsContact O-CA 3.3Å; Y411-I421 WeakPolarHBondContact O-CA 3.15Å; Y411-A422 PolarHBondContact N-O 2.95Å; Y411-A422 PolarHBondContact O-N 3.47Å; Y411-V465 HydrophobicContact CD1-CG1 4.31Å; Y411-V465 HydrophobicContact CE1-CG2 4.38Å; Y411-Y467 HydrophobicContact CD2-CD2 4.39Å; Y411-Y467 HydrophobicContact CD2-CG 4.18Å; Y411-Y467 HydrophobicContact CE2-CD2 4.39Å; Y411-Y467 HydrophobicContact CE2-CG 4.32Å; Y411-Y467 HydrophobicContact CG-CG 4.46Å; Y411-Y467 VanDerWaalsContact CZ-CB 3.49Å; Y411-Y467 PolarHBondContact OH-O 3.12Å; Y411-Y467 VanDerWaalsContact OH-O 3.08Å; Y411-V470 HydrophobicContact CE1-CB 4.37Å; Y411-V470 HydrophobicContact CE1-CG1 4.12Å; Y411-V470 WeakPolarHBondContact OH-CB 3.49Å; Y411-V470 VanDerWaalsContact OH-CG1 3.27Å; Y411-V470 WeakPolarHBondContact OH-CG1 3.31Å; Y411-S471 PolarHBondContact OH-N 2.95Å
412	M	98.6	Very high	96.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.7	177.4	-177.4	-80	-69.5	0	0	110	Y71 M326 L398 S399 R414 K419 Y420 I421	Y71-M412 HydrophobicContact CD1-CE 3.72Å; Y71-M412 HydrophobicContact CE1-CE 4.27Å; Y71-M412 HydrophobicContact CG-CE 4.3Å; M326-M412 HydrophobicContact CB-CB 3.97Å; M326-M412 HydrophobicContact CB-CG 4.15Å; M326-M412 HydrophobicContact CE-CB 4.36Å; M326-M412 HydrophobicContact CG-CB 3.77Å; M326-M412 HydrophobicContact CG-CG 4.49Å; M326-M412 HydrophobicContact SD-CB 3.61Å; L398-M412 WeakPolarHBondContact CA-O 3.42Å; S399-M412 PolarHBondContact N-O 3.48Å; S399-M412 PolarHBondContact O-N 3.27Å; M412-R414 HydrophobicContact SD-CB 3.77Å; M412-K419 HydrophobicContact CG-CD 3.87Å; M412-K419 HydrophobicContact CG-CG 3.63Å; M412-K419 HydrophobicContact SD-CD 4.22Å; M412-K419 HydrophobicContact SD-CG 3.83Å; M412-Y420 CarbonylContact C-O 3.58Å; M412-Y420 WeakPolarHBondContact CA-O 3.4Å; M412-I421 HydrophobicContact CB-CG1 4.37Å; M412-I421 HydrophobicContact CG-CG1 4.17Å
413	L	98.6	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.6	169.3	-169.7	74	0	0	0	109.5	W396 V415 Y420 L457 L460 L461 I464	W396-L413 HydrophobicContact CB-CD1 4.23Å; W396-L413 HydrophobicContact CD2-CD1 4.47Å; W396-L413 HydrophobicContact CE3-CD1 4.17Å; L413-V415 HydrophobicContact CD2-CG2 3.94Å; L413-V415 HydrophobicContact CG-CG2 4.01Å; L413-Y420 PolarHBondContact N-O 3.4Å; L413-Y420 PolarHBondContact O-N 3.33Å; L413-L457 HydrophobicContact CD2-CD2 4.36Å; L413-L457 WeakPolarHBondContact CD2-O 3.23Å; L413-L460 HydrophobicContact CD2-CB 4.04Å; L413-L460 HydrophobicContact CD2-CD2 3.94Å; L413-L460 HydrophobicContact CD2-CG 3.88Å; L413-L461 HydrophobicContact CB-CD1 4.29Å; L413-L461 HydrophobicContact CD1-CD1 4.49Å; L413-L461 HydrophobicContact CD2-CB 4.12Å; L413-I464 HydrophobicContact CD1-CD1 3.62Å
414	R	98.1	Very high	96.9	Very high	7 Å²	7	14.6 Å²	14.6	3%	0.026	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.5	174.5	-176	74.6	-170	142.5	11.4	109.4	Y71 L351 W396 V397 M412 G416 H417 W418	Y71-R414 HydrophobicContact CE2-CG 4.09Å; L351-R414 HydrophobicContact CD1-CB 4.41Å; L351-R414 HydrophobicContact CD1-CG 3.84Å; L351-R414 WeakPolarHBondContact CD1-O 3.43Å; L351-R414 HydrophobicContact CD2-CG 3.8Å; L351-R414 HydrophobicContact CG-CG 4.5Å; W396-R414 CarbonylContact C-O 3.56Å; W396-R414 WeakPolarHBondContact CA-O 3.31Å; W396-R414 WeakPolarHBondContact CB-O 3.26Å; V397-R414 HydrophobicContact CG2-CB 3.58Å; V397-R414 HydrophobicContact CG2-CG 4.19Å; V397-R414 PolarHBondContact N-O 3.46Å; V397-R414 PolarHBondContact O-N 2.92Å; M412-R414 HydrophobicContact SD-CB 3.77Å; R414-G416 VanDerWaalsContact CZ-O 3.28Å; R414-G416 PolarHBondContact NH2-O 3.04Å; R414-H417 PolarHBondContact NH1-O 3.08Å; R414-H417 PolarHBondContact NH2-O 2.84Å; R414-H417 VanDerWaalsContact NH2-O 3.17Å; R414-W418 WeakPolarHBondContact CA-O 3.39Å; R414-W418 WeakPolarHBondContact CD-O 3.37Å; R414-W418 PolarHBondContact NH1-O 3.16Å; R414-W418 VanDerWaalsContact NH1-O 3.07Å
415	V	97.9	Very high	96.9	Very high	33 Å²	33	17.1 Å²	17.1	20%	0.2	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	118	176.6	-172.5	0	0	0	0	109.1	W396 L413 H417 W418 L457 L460	W396-V415 HydrophobicContact CB-CG2 3.82Å; L413-V415 HydrophobicContact CD2-CG2 3.94Å; L413-V415 HydrophobicContact CG-CG2 4.01Å; V415-H417 PolarHBondContact O-N 3.41Å; V415-H417 VanDerWaalsContact O-N 3.08Å; V415-W418 PolarHBondContact N-O 2.86Å; V415-W418 PolarHBondContact O-N 3.46Å; V415-L457 HydrophobicContact CB-CD2 3.84Å; V415-L457 HydrophobicContact CG2-CD2 3.53Å; V415-L460 HydrophobicContact CG2-CD2 3.91Å
416	G	95.8	Very high	96.8	Very high	51 Å²	51	18.4 Å²	18.4	53%	0.526	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-116.7	-176	0	0	0	0	0	112.2	R414	R414-G416 VanDerWaalsContact CZ-O 3.28Å; R414-G416 PolarHBondContact NH2-O 3.04Å
417	H	96.3	Very high	96.8	Very high	80 Å²	80	25.2 Å²	25.2	37%	0.37	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.7	177.4	60.3	-99.1	0	0	0	114.7	R414 V415 N435 V436 T437	R414-H417 PolarHBondContact NH1-O 3.08Å; R414-H417 PolarHBondContact NH2-O 2.84Å; R414-H417 VanDerWaalsContact NH2-O 3.17Å; V415-H417 PolarHBondContact O-N 3.41Å; V415-H417 VanDerWaalsContact O-N 3.08Å; H417-N435 PolarHBondContact CD2-ND2 2.66Å; H417-N435 WeakPolarHBondContact O-CA 3.4Å; H417-V436 PolarHBondContact O-N 2.98Å; H417-T437 WeakPolarHBondContact CB-OG1 3.26Å
418	W	98.5	Very high	96.8	Very high	40 Å²	40	26.8 Å²	26.8	15%	0.152	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.1	-178	-66	114.1	0	0	0	113.1	R414 V415 L433 F434 N435 V446 F450 V453 L457	R414-W418 WeakPolarHBondContact CA-O 3.39Å; R414-W418 WeakPolarHBondContact CD-O 3.37Å; R414-W418 PolarHBondContact NH1-O 3.16Å; R414-W418 VanDerWaalsContact NH1-O 3.07Å; V415-W418 PolarHBondContact N-O 2.86Å; V415-W418 PolarHBondContact O-N 3.46Å; W418-L433 HydrophobicContact CB-CD1 4.42Å; W418-L433 HydrophobicContact CD2-CD1 4.47Å; W418-L433 HydrophobicContact CE3-CD1 3.84Å; W418-L433 HydrophobicContact CE3-CD2 4.2Å; W418-L433 HydrophobicContact CE3-CG 3.92Å; W418-L433 HydrophobicContact CZ3-CD2 4.15Å; W418-L433 HydrophobicContact CZ3-CG 4.13Å; W418-F434 WeakPolarHBondContact CA-O 3.48Å; W418-N435 HydrophobicContact CE3-CB 4.02Å; W418-N435 HydrophobicContact CH2-CB 4.18Å; W418-N435 HydrophobicContact CZ3-CB 3.7Å; W418-V446 HydrophobicContact CZ3-CG2 3.87Å; W418-F450 HydrophobicContact CH2-CD1 4.32Å; W418-F450 AromaticContact CH2-CD2 3.87Å; W418-F450 HydrophobicContact CH2-CD2 3.87Å; W418-F450 HydrophobicContact CH2-CE1 4.42Å; W418-F450 AromaticContact CH2-CE2 3.99Å; W418-F450 HydrophobicContact CH2-CE2 3.99Å; W418-F450 HydrophobicContact CH2-CG 4.04Å; W418-F450 HydrophobicContact CH2-CZ 4.27Å; W418-F450 HydrophobicContact CZ3-CD2 4.34Å; W418-V453 HydrophobicContact CD2-CG1 3.84Å; W418-V453 HydrophobicContact CE3-CG1 4.37Å; W418-V453 HydrophobicContact CG-CG1 3.96Å; W418-V453 HydrophobicContact CZ2-CG1 4.43Å; W418-V453 HydrophobicContact CZ2-CG2 4.35Å; W418-L457 HydrophobicContact CB-CD1 3.74Å; W418-L457 HydrophobicContact CG-CD1 4.33Å
419	K	98.7	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.9	170.8	-175.1	-177.5	-70	179.2	0	107.5	M326 E328 M412 L433 F434 V436 E442	M326-K419 PolarHBondContact O-NZ 2.85Å; M326-K419 VanDerWaalsContact O-NZ 3.09Å; E328-K419 WeakPolarHBondContact OE1-CE 3.06Å; E328-K419 IonicContact OE1-NZ 3.22Å; E328-K419 PolarHBondContact OE1-NZ 2.96Å; M412-K419 HydrophobicContact CG-CD 3.87Å; M412-K419 HydrophobicContact CG-CG 3.63Å; M412-K419 HydrophobicContact SD-CD 4.22Å; M412-K419 HydrophobicContact SD-CG 3.83Å; K419-L433 WeakPolarHBondContact O-CA 3.3Å; K419-F434 PolarHBondContact N-O 3.24Å; K419-F434 PolarHBondContact O-N 2.84Å; K419-V436 HydrophobicContact CB-CG1 3.97Å; K419-E442 VanDerWaalsContact CD-OE1 3.24Å; K419-E442 WeakPolarHBondContact CD-OE1 3.44Å; K419-E442 VanDerWaalsContact CE-OE1 3.25Å; K419-E442 WeakPolarHBondContact CE-OE1 3.34Å; K419-E442 IonicContact NZ-OE1 3.53Å; K419-E442 PolarHBondContact NZ-OE1 3.41Å; K419-E442 IonicContact NZ-OE2 2.71Å
420	Y	98.8	Very high	96.7	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.3	178.2	175	-114.7	0	0	0	109.2	M412 L413 A422 P431 L433 Q454 L457 D458 L461	M412-Y420 CarbonylContact C-O 3.58Å; M412-Y420 WeakPolarHBondContact CA-O 3.4Å; L413-Y420 PolarHBondContact N-O 3.4Å; L413-Y420 PolarHBondContact O-N 3.33Å; Y420-A422 HydrophobicContact CE1-CB 3.87Å; Y420-P431 HydrophobicContact CD2-CB 4.49Å; Y420-P431 HydrophobicContact CE2-CB 3.55Å; Y420-P431 HydrophobicContact CE2-CG 4.24Å; Y420-L433 HydrophobicContact CD2-CD1 4.42Å; Y420-Q454 HydrophobicContact CD2-CG 4.5Å; Y420-Q454 HydrophobicContact CE2-CG 3.74Å; Y420-L457 HydrophobicContact CD1-CB 4.07Å; Y420-L457 HydrophobicContact CG-CB 3.98Å; Y420-D458 HydrophobicContact CE1-CB 3.88Å; Y420-D458 WeakPolarHBondContact OH-CB 3.47Å; Y420-D458 PolarHBondContact OH-OD1 3.13Å; Y420-L461 HydrophobicContact CD1-CD2 4.23Å; Y420-L461 HydrophobicContact CE1-CD2 3.99Å
421	I	98.8	Very high	96.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.7	177.4	-48.3	167.2	0	0	0	108.5	M326 T410 Y411 M412 Y423 P431 Q432 F434	M326-I421 HydrophobicContact CB-CD1 3.72Å; M326-I421 HydrophobicContact CB-CG1 4.15Å; M326-I421 HydrophobicContact CG-CG2 4.24Å; T410-I421 HydrophobicContact CG2-CG2 3.44Å; T410-I421 VanDerWaalsContact CG2-CG2 3.44Å; Y411-I421 CarbonylContact O-C 3.56Å; Y411-I421 VanDerWaalsContact O-CA 3.3Å; Y411-I421 WeakPolarHBondContact O-CA 3.15Å; M412-I421 HydrophobicContact CB-CG1 4.37Å; M412-I421 HydrophobicContact CG-CG1 4.17Å; I421-Y423 HydrophobicContact CB-CE2 4.27Å; I421-Y423 HydrophobicContact CG2-CE1 3.94Å; I421-Y423 HydrophobicContact CG2-CE2 3.82Å; I421-Y423 VanDerWaalsContact CG2-CZ 3.43Å; I421-Y423 VanDerWaalsContact CG2-OH 3.27Å; I421-Y423 WeakPolarHBondContact CG2-OH 3.2Å; I421-P431 VanDerWaalsContact O-CA 3.26Å; I421-P431 WeakPolarHBondContact O-CA 3.5Å; I421-P431 VanDerWaalsContact O-CB 3.31Å; I421-P431 WeakPolarHBondContact O-CB 3.47Å; I421-Q432 HydrophobicContact CB-CB 4.33Å; I421-Q432 HydrophobicContact CD1-CB 4.37Å; I421-Q432 PolarHBondContact N-O 3.41Å; I421-Q432 PolarHBondContact O-N 3.11Å; I421-F434 HydrophobicContact CD1-CD2 4.39Å; I421-F434 HydrophobicContact CD1-CE2 3.96Å
422	A	98.5	Very high	96.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	156.4	172.8	0	0	0	0	0	110.4	Y411 Y420 L461 Y467	Y411-A422 PolarHBondContact N-O 2.95Å; Y411-A422 PolarHBondContact O-N 3.47Å; Y420-A422 HydrophobicContact CE1-CB 3.87Å; A422-L461 HydrophobicContact CB-CD2 3.72Å; A422-Y467 HydrophobicContact CB-CE1 4.37Å; A422-Y467 HydrophobicContact CB-CE2 4.47Å
423	Y	98.1	Very high	96.7	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.3	-173.9	-62.4	-80.6	0	0	0	111.5	H248 V250 A408 S409 T410 I421 D425 G426 V429 P430 Q432	H248-Y423 AromaticContact CE1-CD2 3.75Å; H248-Y423 AromaticContact CE1-CE2 3.38Å; H248-Y423 WeakPolarHBondContact CE1-CE2 3.02Å; H248-Y423 AromaticContact CE1-CZ 3.72Å; H248-Y423 AromaticContact ND1-CZ 3.98Å; V250-Y423 HydrophobicContact CB-CD1 4.41Å; V250-Y423 HydrophobicContact CB-CE1 3.94Å; V250-Y423 HydrophobicContact CG1-CD1 4.39Å; V250-Y423 HydrophobicContact CG1-CE1 3.87Å; V250-Y423 HydrophobicContact CG2-CD1 3.75Å; V250-Y423 HydrophobicContact CG2-CE1 3.78Å; V250-Y423 HydrophobicContact CG2-CG 4.32Å; A408-Y423 HydrophobicContact CB-CD1 4.33Å; S409-Y423 CarbonylContact O-C 3.3Å; S409-Y423 VanDerWaalsContact O-CA 3.25Å; S409-Y423 WeakPolarHBondContact O-CA 3.26Å; T410-Y423 HydrophobicContact CG2-CD1 3.91Å; T410-Y423 HydrophobicContact CG2-CE1 3.43Å; T410-Y423 VanDerWaalsContact CG2-CE1 3.43Å; T410-Y423 WeakPolarHBondContact OG1-CD1 3.43Å; T410-Y423 WeakPolarHBondContact OG1-CE1 3.4Å; I421-Y423 HydrophobicContact CB-CE2 4.27Å; I421-Y423 HydrophobicContact CG2-CE1 3.94Å; I421-Y423 HydrophobicContact CG2-CE2 3.82Å; I421-Y423 VanDerWaalsContact CG2-CZ 3.43Å; I421-Y423 VanDerWaalsContact CG2-OH 3.27Å; I421-Y423 WeakPolarHBondContact CG2-OH 3.2Å; Y423-D425 PolarHBondContact O-N 2.72Å; Y423-D425 VanDerWaalsContact O-N 3.12Å; Y423-G426 WeakPolarHBondContact O-CA 3.47Å; Y423-G426 PolarHBondContact O-N 3.47Å; Y423-V429 HydrophobicContact CD1-CG1 4.47Å; Y423-V429 HydrophobicContact CD2-CG1 3.79Å; Y423-V429 HydrophobicContact CG-CB 4.29Å; Y423-V429 HydrophobicContact CG-CG1 3.71Å; Y423-P430 WeakPolarHBondContact CD2-O 3.29Å; Y423-Q432 HydrophobicContact CE2-CG 4.37Å; Y423-Q432 PolarHBondContact OH-OE1 3.15Å
424	A	95.3	Very high	96.7	Very high	12 Å²	12	32.3 Å²	32.3	10%	0.099	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-111.4	172.5	0	0	0	0	0	113.5	A408 S409 Y467	A408-A424 HydrophobicContact CB-CB 4.45Å; S409-A424 PolarHBondContact O-N 3.01Å; A424-Y467 WeakPolarHBondContact O-CD2 3.4Å
425	D	92.7	Very high	96.8	Very high	56 Å²	56	33.4 Å²	33.4	30%	0.299	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.4	179.4	60	1.4	0	0	0	113.6	Y423 I427 S428 P468	Y423-D425 PolarHBondContact O-N 2.72Å; Y423-D425 VanDerWaalsContact O-N 3.12Å; D425-I427 VanDerWaalsContact C-N 3.31Å; D425-I427 PolarHBondContact OD1-N 3.45Å; D425-S428 VanDerWaalsContact OD1-CB 3.29Å; D425-S428 WeakPolarHBondContact OD1-CB 3.28Å; D425-S428 PolarHBondContact OD1-N 3.01Å; D425-S428 PolarHBondContact OD1-OG 2.91Å; D425-S428 PolarHBondContact OD2-OG 3.35Å; D425-P468 HydrophobicContact CB-CB 4.38Å
426	G	92.6	Very high	96.7	Very high	27 Å²	27	32.5 Å²	32.5	28%	0.278	20%	0.199	S	C	.	.	S	Bend	trans	82.7	6.4	-176.9	0	0	0	0	0	114	Y423	Y423-G426 WeakPolarHBondContact O-CA 3.47Å; Y423-G426 PolarHBondContact O-N 3.47Å
427	I	91.8	Very high	96.6	Very high	145 Å²	145	34.6 Å²	34.6	74%	0.744	20%	0.202	S	C	*	.	S	Bend	trans	-127.1	-48.9	-176.5	-58.8	175.7	0	0	0	110.4	D425 V429	D425-I427 VanDerWaalsContact C-N 3.31Å; D425-I427 PolarHBondContact OD1-N 3.45Å; I427-V429 PolarHBondContact O-N 2.88Å
428	S	93	Very high	96.6	Very high	88 Å²	88	36.3 Å²	36.3	62%	0.615	22%	0.218	S	C	*	.	S	Bend	trans	-65.5	-23.6	-173.7	-68.1	0	0	0	0	113.5	D425	D425-S428 VanDerWaalsContact OD1-CB 3.29Å; D425-S428 WeakPolarHBondContact OD1-CB 3.28Å; D425-S428 PolarHBondContact OD1-N 3.01Å; D425-S428 PolarHBondContact OD1-OG 2.91Å; D425-S428 PolarHBondContact OD2-OG 3.35Å
429	V	95.9	Very high	96.5	Very high	26 Å²	26	35.3 Å²	35.3	16%	0.158	22%	0.215	C	C	.	.	S	Bend	trans	-134.3	128.4	178.3	177.9	0	0	0	0	108.1	H248 V250 A408 Y423 I427	H248-V429 VanDerWaalsContact CE1-CG1 3.45Å; H248-V429 WeakPolarHBondContact CE1-CG1 3.37Å; V250-V429 HydrophobicContact CG2-CG1 3.86Å; A408-V429 HydrophobicContact CB-CG2 4.4Å; Y423-V429 HydrophobicContact CD1-CG1 4.47Å; Y423-V429 HydrophobicContact CD2-CG1 3.79Å; Y423-V429 HydrophobicContact CG-CB 4.29Å; Y423-V429 HydrophobicContact CG-CG1 3.71Å; I427-V429 PolarHBondContact O-N 2.88Å
430	P	96.8	Very high	96.2	Very high	72 Å²	72	42.9 Å²	42.9	47%	0.468	25%	0.248	S	C	.	.			trans	-65.5	147.1	-177.6	25.6	-32	0	0	0	111.4	H248 Y423	H248-P430 PolarHBondContact NE2-O 3.3Å; Y423-P430 WeakPolarHBondContact CD2-O 3.29Å
431	P	98.2	Very high	95.9	Very high	20 Å²	20	46.4 Å²	46.4	13%	0.13	27%	0.267	C	S	.	.			trans	-75.1	164.3	176.5	27.6	-32.3	0	0	0	113	Y420 I421 N445 V447 Q454	Y420-P431 HydrophobicContact CD2-CB 4.49Å; Y420-P431 HydrophobicContact CE2-CB 3.55Å; Y420-P431 HydrophobicContact CE2-CG 4.24Å; I421-P431 VanDerWaalsContact O-CA 3.26Å; I421-P431 WeakPolarHBondContact O-CA 3.5Å; I421-P431 VanDerWaalsContact O-CB 3.31Å; I421-P431 WeakPolarHBondContact O-CB 3.47Å; P431-N445 PolarHBondContact O-ND2 2.99Å; P431-V447 HydrophobicContact CG-CG2 4.06Å; P431-Q454 HydrophobicContact CG-CG 4.49Å
432	Q	98.6	Very high	95.9	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.037	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.6	169.3	-66.4	174.4	-102.1	0	0	110.5	H248 D251 I421 Y423 F434	H248-Q432 HydrophobicContact CB-CG 4.41Å; H248-Q432 VanDerWaalsContact CG-CD 3.49Å; H248-Q432 PolarHBondContact ND1-OE1 3.49Å; D251-Q432 PolarHBondContact OD2-NE2 2.98Å; D251-Q432 VanDerWaalsContact OD2-NE2 3.11Å; D251-Q432 PolarHBondContact OD2-OE1 3.39Å; I421-Q432 HydrophobicContact CB-CB 4.33Å; I421-Q432 HydrophobicContact CD1-CB 4.37Å; I421-Q432 PolarHBondContact N-O 3.41Å; I421-Q432 PolarHBondContact O-N 3.11Å; Y423-Q432 HydrophobicContact CE2-CG 4.37Å; Y423-Q432 PolarHBondContact OH-OE1 3.15Å; Q432-F434 HydrophobicContact CB-CE2 3.69Å; Q432-F434 HydrophobicContact CB-CZ 4.06Å
433	L	98.8	Very high	95.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	127.9	175.7	-179.4	66.7	0	0	0	109.9	W418 K419 Y420 N445 V446 V447 F450 V453 L457	W418-L433 HydrophobicContact CB-CD1 4.42Å; W418-L433 HydrophobicContact CD2-CD1 4.47Å; W418-L433 HydrophobicContact CE3-CD1 3.84Å; W418-L433 HydrophobicContact CE3-CD2 4.2Å; W418-L433 HydrophobicContact CE3-CG 3.92Å; W418-L433 HydrophobicContact CZ3-CD2 4.15Å; W418-L433 HydrophobicContact CZ3-CG 4.13Å; K419-L433 WeakPolarHBondContact O-CA 3.3Å; Y420-L433 HydrophobicContact CD2-CD1 4.42Å; L433-N445 PolarHBondContact N-OD1 3.47Å; L433-N445 PolarHBondContact O-OD1 3.4Å; L433-V446 HydrophobicContact CD2-CG2 4.46Å; L433-V446 HydrophobicContact CG-CG2 4.28Å; L433-V446 VanDerWaalsContact O-CG2 3.29Å; L433-V446 WeakPolarHBondContact O-CG2 3.45Å; L433-V446 PolarHBondContact O-N 2.77Å; L433-V447 HydrophobicContact CB-CB 3.77Å; L433-V447 HydrophobicContact CB-CG2 4.08Å; L433-F450 HydrophobicContact CD2-CB 4.06Å; L433-V453 HydrophobicContact CD1-CG1 4.38Å; L433-V453 HydrophobicContact CD2-CB 4.26Å; L433-V453 HydrophobicContact CD2-CG1 4.02Å; L433-L457 HydrophobicContact CD1-CD1 3.73Å
434	F	98.7	Very high	95.8	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.6	-179.8	-56.6	-78.8	0	0	0	111.8	F327 W418 K419 I421 Q432 V436 E442 H444 N445	F327-F434 HydrophobicContact CE1-CE2 4Å; F327-F434 AromaticContact CE1-CZ 3.86Å; F327-F434 HydrophobicContact CE1-CZ 3.86Å; W418-F434 WeakPolarHBondContact CA-O 3.48Å; K419-F434 PolarHBondContact N-O 3.24Å; K419-F434 PolarHBondContact O-N 2.84Å; I421-F434 HydrophobicContact CD1-CD2 4.39Å; I421-F434 HydrophobicContact CD1-CE2 3.96Å; Q432-F434 HydrophobicContact CB-CE2 3.69Å; Q432-F434 HydrophobicContact CB-CZ 4.06Å; F434-V436 HydrophobicContact CB-CG1 4.37Å; F434-E442 HydrophobicContact CB-CG 4.48Å; F434-E442 HydrophobicContact CD1-CB 4.07Å; F434-E442 HydrophobicContact CE1-CB 4.26Å; F434-E442 WeakPolarHBondContact CE1-O 3.33Å; F434-E442 HydrophobicContact CG-CB 4.23Å; F434-E442 HydrophobicContact CG-CG 4.44Å; F434-H444 WeakPolarHBondContact CD1-O 3.08Å; F434-N445 HydrophobicContact CE1-CB 4.3Å
435	N	98.3	Very high	95.9	Very high	29 Å²	29	55.6 Å²	55.6	16%	0.155	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	94.1	164	-177.2	-28.1	0	0	0	108.8	H417 W418 T437 V438 D439	H417-N435 PolarHBondContact CD2-ND2 2.66Å; H417-N435 WeakPolarHBondContact O-CA 3.4Å; W418-N435 HydrophobicContact CE3-CB 4.02Å; W418-N435 HydrophobicContact CH2-CB 4.18Å; W418-N435 HydrophobicContact CZ3-CB 3.7Å; N435-T437 PolarHBondContact O-N 3.49Å; N435-T437 VanDerWaalsContact O-N 3.12Å; N435-T437 PolarHBondContact OD1-N 3.38Å; N435-V438 HydrophobicContact CB-CG2 3.76Å; N435-V438 WeakPolarHBondContact O-CG2 3.28Å; N435-V438 PolarHBondContact O-N 3.08Å; N435-D439 PolarHBondContact O-N 3.35Å
436	V	96.2	Very high	96.1	Very high	15 Å²	15	53.9 Å²	53.9	9%	0.091	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.7	-170.9	-45.9	0	0	0	0	113.6	H417 K419 F434 E442	H417-V436 PolarHBondContact O-N 2.98Å; K419-V436 HydrophobicContact CB-CG1 3.97Å; F434-V436 HydrophobicContact CB-CG1 4.37Å; V436-E442 HydrophobicContact CG1-CG 4.15Å
437	T	93.3	Very high	96.4	Very high	94 Å²	94	53 Å²	53	58%	0.577	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-38.7	174.5	-58.6	0	0	0	0	110.9	H417 N435	H417-T437 WeakPolarHBondContact CB-OG1 3.26Å; N435-T437 PolarHBondContact O-N 3.49Å; N435-T437 VanDerWaalsContact O-N 3.12Å; N435-T437 PolarHBondContact OD1-N 3.38Å
438	V	96.3	Very high	96.6	Very high	117 Å²	117	53.9 Å²	53.9	71%	0.709	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-28.8	179.4	-57.1	0	0	0	0	112.7	N435	N435-V438 HydrophobicContact CB-CG2 3.76Å; N435-V438 WeakPolarHBondContact O-CG2 3.28Å; N435-V438 PolarHBondContact O-N 3.08Å
439	D	96.6	Very high	96.8	Very high	19 Å²	19	59.3 Å²	59.3	10%	0.102	30%	0.304	C	S	.	.			trans	-117.3	74.8	178.9	-174.2	29.9	0	0	0	109.9	N435 D441 E442 L443 H444	N435-D439 PolarHBondContact O-N 3.35Å; D439-D441 PolarHBondContact O-N 3.2Å; D439-E442 PolarHBondContact O-N 3.45Å; D439-E442 VanDerWaalsContact O-N 3.1Å; D439-E442 PolarHBondContact OD1-N 2.73Å; D439-E442 WeakPolarHBondContact OD2-CA 3.47Å; D439-L443 PolarHBondContact OD1-N 2.87Å; D439-L443 PolarHBondContact OD2-N 2.96Å; D439-H444 IonicContact OD1-ND1 3.71Å; D439-H444 PolarHBondContact OD1-ND1 2.64Å; D439-H444 IonicContact OD2-CG 2.78Å; D439-H444 PolarHBondContact OD2-N 3.14Å; D439-H444 IonicContact OD2-ND1 2.96Å
440	K	92.3	Very high	97	Very high	159 Å²	159	62.2 Å²	62.2	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.3	-176.2	-64.9	-177.6	-178.7	178	0	113.7
441	D	94.1	Very high	97	Very high	77 Å²	77	62.1 Å²	62.1	41%	0.412	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-1.9	179.2	-60.9	-25.5	0	0	0	111.8	H318 D439 L443	H318-D441 PolarHBondContact CE1-O 3.27Å; H318-D441 PolarHBondContact NE2-O 2.85Å; D439-D441 PolarHBondContact O-N 3.2Å; D441-L443 VanDerWaalsContact C-N 3.26Å; D441-L443 HydrophobicContact CB-CD1 3.9Å; D441-L443 HydrophobicContact CB-CG 3.76Å; D441-L443 WeakPolarHBondContact O-CG 3.5Å; D441-L443 PolarHBondContact O-N 2.96Å
442	E	97.6	Very high	97	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.019	34%	0.343	C	S	.	.			trans	51.3	41.5	177.2	-59.8	172.2	112.3	0	0	113.8	F327 E328 K419 F434 V436 D439	F327-E442 VanDerWaalsContact CA-OE2 3.24Å; F327-E442 WeakPolarHBondContact CA-OE2 3.22Å; F327-E442 WeakPolarHBondContact CB-OE2 3.33Å; F327-E442 HydrophobicContact CD1-CB 3.73Å; F327-E442 HydrophobicContact CD1-CG 4.45Å; F327-E442 HydrophobicContact CE1-CB 4.06Å; E328-E442 WeakPolarHBondContact CG-OE2 3.32Å; E328-E442 PolarHBondContact N-OE2 3.23Å; K419-E442 VanDerWaalsContact CD-OE1 3.24Å; K419-E442 WeakPolarHBondContact CD-OE1 3.44Å; K419-E442 VanDerWaalsContact CE-OE1 3.25Å; K419-E442 WeakPolarHBondContact CE-OE1 3.34Å; K419-E442 IonicContact NZ-OE1 3.53Å; K419-E442 PolarHBondContact NZ-OE1 3.41Å; K419-E442 IonicContact NZ-OE2 2.71Å; F434-E442 HydrophobicContact CB-CG 4.48Å; F434-E442 HydrophobicContact CD1-CB 4.07Å; F434-E442 HydrophobicContact CE1-CB 4.26Å; F434-E442 WeakPolarHBondContact CE1-O 3.33Å; F434-E442 HydrophobicContact CG-CB 4.23Å; F434-E442 HydrophobicContact CG-CG 4.44Å; V436-E442 HydrophobicContact CG1-CG 4.15Å; D439-E442 PolarHBondContact O-N 3.45Å; D439-E442 VanDerWaalsContact O-N 3.1Å; D439-E442 PolarHBondContact OD1-N 2.73Å; D439-E442 WeakPolarHBondContact OD2-CA 3.47Å
443	L	97.3	Very high	97	Very high	22 Å²	22	68.6 Å²	68.6	12%	0.115	35%	0.349	C	S	.	.			trans	-91.7	-13.5	-177.2	-60	178.4	0	0	0	112.9	K240 L242 D439 D441	K240-L443 HydrophobicContact CB-CD1 3.76Å; L242-L443 HydrophobicContact CD2-CB 4.37Å; L242-L443 HydrophobicContact CG-CD2 4.34Å; D439-L443 PolarHBondContact OD1-N 2.87Å; D439-L443 PolarHBondContact OD2-N 2.96Å; D441-L443 VanDerWaalsContact C-N 3.26Å; D441-L443 HydrophobicContact CB-CD1 3.9Å; D441-L443 HydrophobicContact CB-CG 3.76Å; D441-L443 WeakPolarHBondContact O-CG 3.5Å; D441-L443 PolarHBondContact O-N 2.96Å
444	H	96.9	Very high	97	Very high	118 Å²	118	71.4 Å²	71.4	55%	0.546	36%	0.362	S	S	.	.			trans	-118.1	95.7	-171.9	-56	90.7	0	0	0	110.8	F434 D439 V446	F434-H444 WeakPolarHBondContact CD1-O 3.08Å; D439-H444 IonicContact OD1-ND1 3.71Å; D439-H444 PolarHBondContact OD1-ND1 2.64Å; D439-H444 IonicContact OD2-CG 2.78Å; D439-H444 PolarHBondContact OD2-N 3.14Å; D439-H444 IonicContact OD2-ND1 2.96Å; H444-V446 PolarHBondContact O-N 2.87Å; H444-V446 VanDerWaalsContact O-N 3.15Å
445	N	97.9	Very high	96.9	Very high	69 Å²	69	74.2 Å²	74.2	37%	0.369	39%	0.385	S	S	.	.			trans	-67	111.9	169.2	-178.1	7.4	0	0	0	109.7	P431 L433 F434 V447	P431-N445 PolarHBondContact O-ND2 2.99Å; L433-N445 PolarHBondContact N-OD1 3.47Å; L433-N445 PolarHBondContact O-OD1 3.4Å; F434-N445 HydrophobicContact CE1-CB 4.3Å; N445-V447 WeakPolarHBondContact OD1-CB 3.33Å; N445-V447 WeakPolarHBondContact OD1-CG1 3.37Å; N445-V447 PolarHBondContact OD1-N 3.28Å; N445-V447 VanDerWaalsContact OD1-N 3.11Å
446	V	98.1	Very high	96.9	Very high	20 Å²	20	79.5 Å²	79.5	12%	0.121	41%	0.409	C	S	.	.			trans	-103	13.8	-177.2	-64.4	0	0	0	0	113.4	W418 L433 H444 L448 R449 F450	W418-V446 HydrophobicContact CZ3-CG2 3.87Å; L433-V446 HydrophobicContact CD2-CG2 4.46Å; L433-V446 HydrophobicContact CG-CG2 4.28Å; L433-V446 VanDerWaalsContact O-CG2 3.29Å; L433-V446 WeakPolarHBondContact O-CG2 3.45Å; L433-V446 PolarHBondContact O-N 2.77Å; H444-V446 PolarHBondContact O-N 2.87Å; H444-V446 VanDerWaalsContact O-N 3.15Å; V446-L448 VanDerWaalsContact C-N 3.29Å; V446-L448 PolarHBondContact O-N 3.46Å; V446-R449 HydrophobicContact CB-CB 4.47Å; V446-R449 WeakPolarHBondContact O-CA 3.32Å; V446-R449 WeakPolarHBondContact O-CB 3.47Å; V446-R449 PolarHBondContact O-N 3.2Å; V446-F450 HydrophobicContact CB-CD2 3.88Å; V446-F450 HydrophobicContact CB-CE2 4Å; V446-F450 HydrophobicContact CG2-CD2 3.81Å; V446-F450 HydrophobicContact CG2-CE2 4.07Å; V446-F450 PolarHBondContact O-N 2.81Å
447	V	97.3	Very high	97.1	Very high	10 Å²	10	79.1 Å²	79.1	6%	0.061	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-54.4	-42.3	-173.8	72.5	0	0	0	0	113.3	P431 L433 N445 R449 F450 Q454	P431-V447 HydrophobicContact CG-CG2 4.06Å; L433-V447 HydrophobicContact CB-CB 3.77Å; L433-V447 HydrophobicContact CB-CG2 4.08Å; N445-V447 WeakPolarHBondContact OD1-CB 3.33Å; N445-V447 WeakPolarHBondContact OD1-CG1 3.37Å; N445-V447 PolarHBondContact OD1-N 3.28Å; N445-V447 VanDerWaalsContact OD1-N 3.11Å; V447-R449 VanDerWaalsContact C-N 3.26Å; V447-R449 PolarHBondContact O-N 2.79Å; V447-F450 CarbonylContact O-C 3.55Å; V447-F450 PolarHBondContact O-N 2.69Å; V447-Q454 HydrophobicContact CG2-CB 3.91Å; V447-Q454 HydrophobicContact CG2-CG 3.59Å
448	L	97.1	Very high	97.3	Very high	162 Å²	162	75.8 Å²	75.8	85%	0.848	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-70.6	-19.5	178.7	-60.7	-179.3	0	0	0	113.7	V446	V446-L448 VanDerWaalsContact C-N 3.29Å; V446-L448 PolarHBondContact O-N 3.46Å
449	R	98	Very high	97.4	Very high	202 Å²	202	78.2 Å²	78.2	76%	0.762	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-84.7	-21.5	177.5	-62.6	-175.5	-179	-178.5	0.9	112.5	V446 V447 P451	V446-R449 HydrophobicContact CB-CB 4.47Å; V446-R449 WeakPolarHBondContact O-CA 3.32Å; V446-R449 WeakPolarHBondContact O-CB 3.47Å; V446-R449 PolarHBondContact O-N 3.2Å; V447-R449 VanDerWaalsContact C-N 3.26Å; V447-R449 PolarHBondContact O-N 2.79Å; R449-P451 VanDerWaalsContact C-CD 3.49Å
450	F	98.2	Very high	97.5	Very high	88 Å²	88	79.8 Å²	79.8	39%	0.386	39%	0.394	S	S	.	.			trans	-132.7	62.1	-175.5	-59.3	-81.5	0	0	0	111.5	W418 L433 V446 V447 D452 V453 Q454	W418-F450 HydrophobicContact CH2-CD1 4.32Å; W418-F450 AromaticContact CH2-CD2 3.87Å; W418-F450 HydrophobicContact CH2-CD2 3.87Å; W418-F450 HydrophobicContact CH2-CE1 4.42Å; W418-F450 AromaticContact CH2-CE2 3.99Å; W418-F450 HydrophobicContact CH2-CE2 3.99Å; W418-F450 HydrophobicContact CH2-CG 4.04Å; W418-F450 HydrophobicContact CH2-CZ 4.27Å; W418-F450 HydrophobicContact CZ3-CD2 4.34Å; L433-F450 HydrophobicContact CD2-CB 4.06Å; V446-F450 HydrophobicContact CB-CD2 3.88Å; V446-F450 HydrophobicContact CB-CE2 4Å; V446-F450 HydrophobicContact CG2-CD2 3.81Å; V446-F450 HydrophobicContact CG2-CE2 4.07Å; V446-F450 PolarHBondContact O-N 2.81Å; V447-F450 CarbonylContact O-C 3.55Å; V447-F450 PolarHBondContact O-N 2.69Å; F450-D452 VanDerWaalsContact C-N 3.29Å; F450-D452 PolarHBondContact O-N 3.09Å; F450-V453 HydrophobicContact CB-CB 3.95Å; F450-V453 HydrophobicContact CB-CG2 3.95Å; F450-V453 PolarHBondContact O-N 2.92Å; F450-Q454 PolarHBondContact O-N 3Å
451	P	97.6	Very high	97.8	Very high	70 Å²	70	72.2 Å²	72.2	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-33.6	-177.2	25.7	-35.1	0	0	0	113.2	R449 Q454 A455	R449-P451 VanDerWaalsContact C-CD 3.49Å; P451-Q454 WeakPolarHBondContact O-CB 3.18Å; P451-Q454 PolarHBondContact O-N 2.9Å; P451-A455 WeakPolarHBondContact O-CB 3.28Å; P451-A455 PolarHBondContact O-N 3.4Å
452	D	98.3	Very high	98	Very high	137 Å²	137	73.5 Å²	73.5	73%	0.733	36%	0.36	S	S	*	.	H	α-helix	trans	-66.5	-39.6	177.2	-61.5	-38.8	0	0	0	111.8	F450 A455 Q456	F450-D452 VanDerWaalsContact C-N 3.29Å; F450-D452 PolarHBondContact O-N 3.09Å; D452-A455 PolarHBondContact O-N 3.45Å; D452-Q456 WeakPolarHBondContact O-CB 3.24Å; D452-Q456 PolarHBondContact O-N 3.12Å
453	V	98.4	Very high	98	Very high	27 Å²	27	77.5 Å²	77.5	16%	0.164	39%	0.389	C	S	.	.	H	α-helix	trans	-65.6	-44.6	175.7	178.5	0	0	0	0	109.9	W418 L433 F450 A455 Q456 L457	W418-V453 HydrophobicContact CD2-CG1 3.84Å; W418-V453 HydrophobicContact CE3-CG1 4.37Å; W418-V453 HydrophobicContact CG-CG1 3.96Å; W418-V453 HydrophobicContact CZ2-CG1 4.43Å; W418-V453 HydrophobicContact CZ2-CG2 4.35Å; L433-V453 HydrophobicContact CD1-CG1 4.38Å; L433-V453 HydrophobicContact CD2-CB 4.26Å; L433-V453 HydrophobicContact CD2-CG1 4.02Å; F450-V453 HydrophobicContact CB-CB 3.95Å; F450-V453 HydrophobicContact CB-CG2 3.95Å; F450-V453 PolarHBondContact O-N 2.92Å; V453-A455 PolarHBondContact O-N 3.47Å; V453-Q456 PolarHBondContact O-N 3.08Å; V453-L457 HydrophobicContact CG1-CD1 3.71Å; V453-L457 HydrophobicContact CG1-CG 4.25Å; V453-L457 WeakPolarHBondContact O-CB 3.06Å; V453-L457 VanDerWaalsContact O-CG 3.27Å; V453-L457 WeakPolarHBondContact O-CG 3.39Å; V453-L457 PolarHBondContact O-N 3.13Å
454	Q	98	Very high	97.9	Very high	59 Å²	59	78 Å²	78	28%	0.276	39%	0.392	S	S	.	.	H	α-helix	trans	-55.8	-51.5	174.1	-178.1	-146.9	-29.8	0	0	111	Y420 P431 V447 F450 P451 Q456 L457 D458	Y420-Q454 HydrophobicContact CD2-CG 4.5Å; Y420-Q454 HydrophobicContact CE2-CG 3.74Å; P431-Q454 HydrophobicContact CG-CG 4.49Å; V447-Q454 HydrophobicContact CG2-CB 3.91Å; V447-Q454 HydrophobicContact CG2-CG 3.59Å; F450-Q454 PolarHBondContact O-N 3Å; P451-Q454 WeakPolarHBondContact O-CB 3.18Å; P451-Q454 PolarHBondContact O-N 2.9Å; Q454-Q456 VanDerWaalsContact C-N 3.33Å; Q454-Q456 PolarHBondContact O-N 2.89Å; Q454-L457 PolarHBondContact O-N 3.02Å; Q454-D458 WeakPolarHBondContact O-CB 3.46Å; Q454-D458 PolarHBondContact O-N 3.29Å
455	A	98.3	Very high	98	Very high	60 Å²	60	72.6 Å²	72.6	50%	0.496	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-40.5	-178	0	0	0	0	0	112.2	P451 D452 V453 K459	P451-A455 WeakPolarHBondContact O-CB 3.28Å; P451-A455 PolarHBondContact O-N 3.4Å; D452-A455 PolarHBondContact O-N 3.45Å; V453-A455 PolarHBondContact O-N 3.47Å; A455-K459 VanDerWaalsContact O-CB 3.31Å; A455-K459 WeakPolarHBondContact O-CB 3.41Å; A455-K459 PolarHBondContact O-N 2.85Å
456	Q	98.4	Very high	98	Very high	140 Å²	140	73.4 Å²	73.4	65%	0.654	37%	0.371	S	S	*	.	H	α-helix	trans	-63.8	-46.8	176.1	-176.9	-178.7	0.2	0	0	111.9	D452 V453 Q454 K459 L460	D452-Q456 WeakPolarHBondContact O-CB 3.24Å; D452-Q456 PolarHBondContact O-N 3.12Å; V453-Q456 PolarHBondContact O-N 3.08Å; Q454-Q456 VanDerWaalsContact C-N 3.33Å; Q454-Q456 PolarHBondContact O-N 2.89Å; Q456-K459 PolarHBondContact O-N 3.37Å; Q456-L460 PolarHBondContact O-N 2.91Å
457	L	98.6	Very high	97.9	Very high	7 Å²	7	72.5 Å²	72.5	4%	0.037	37%	0.365	C	S	.	.	H	α-helix	trans	-70.5	-37	-178.5	-66.3	176	0	0	0	112	L413 V415 W418 Y420 L433 V453 Q454 L460 L461	L413-L457 HydrophobicContact CD2-CD2 4.36Å; L413-L457 WeakPolarHBondContact CD2-O 3.23Å; V415-L457 HydrophobicContact CB-CD2 3.84Å; V415-L457 HydrophobicContact CG2-CD2 3.53Å; W418-L457 HydrophobicContact CB-CD1 3.74Å; W418-L457 HydrophobicContact CG-CD1 4.33Å; Y420-L457 HydrophobicContact CD1-CB 4.07Å; Y420-L457 HydrophobicContact CG-CB 3.98Å; L433-L457 HydrophobicContact CD1-CD1 3.73Å; V453-L457 HydrophobicContact CG1-CD1 3.71Å; V453-L457 HydrophobicContact CG1-CG 4.25Å; V453-L457 WeakPolarHBondContact O-CB 3.06Å; V453-L457 VanDerWaalsContact O-CG 3.27Å; V453-L457 WeakPolarHBondContact O-CG 3.39Å; V453-L457 PolarHBondContact O-N 3.13Å; Q454-L457 PolarHBondContact O-N 3.02Å; L457-L460 PolarHBondContact O-N 3.14Å; L457-L461 WeakPolarHBondContact O-CB 3.25Å; L457-L461 PolarHBondContact O-N 3.45Å
458	D	98.5	Very high	97.9	Very high	25 Å²	25	73.3 Å²	73.3	13%	0.134	37%	0.371	C	S	.	.	H	α-helix	trans	-65.3	-42.3	174.1	-166.3	71.7	0	0	0	111.5	Y420 Q454 L460 L461 R462 Y467	Y420-D458 HydrophobicContact CE1-CB 3.88Å; Y420-D458 WeakPolarHBondContact OH-CB 3.47Å; Y420-D458 PolarHBondContact OH-OD1 3.13Å; Q454-D458 WeakPolarHBondContact O-CB 3.46Å; Q454-D458 PolarHBondContact O-N 3.29Å; D458-L460 VanDerWaalsContact C-N 3.32Å; D458-L460 PolarHBondContact O-N 2.82Å; D458-L461 PolarHBondContact O-N 3.38Å; D458-R462 WeakPolarHBondContact O-CB 3.41Å; D458-R462 WeakPolarHBondContact O-CG 3.27Å; D458-R462 PolarHBondContact O-N 3.38Å; D458-R462 WeakPolarHBondContact OD2-CD 3.43Å; D458-R462 IonicContact OD2-CZ 2.74Å; D458-R462 IonicContact OD2-NE 2.84Å; D458-R462 PolarHBondContact OD2-NE 3.37Å; D458-Y467 PolarHBondContact OD1-OH 3.25Å; D458-Y467 PolarHBondContact OD2-OH 3.2Å
459	K	98.3	Very high	97.9	Very high	168 Å²	168	72.5 Å²	72.5	73%	0.73	36%	0.361	S	S	*	.	H	α-helix	trans	-59.2	-43.9	174	-176.7	179.6	179	-178.6	0	111.6	A455 Q456 S463	A455-K459 VanDerWaalsContact O-CB 3.31Å; A455-K459 WeakPolarHBondContact O-CB 3.41Å; A455-K459 PolarHBondContact O-N 2.85Å; Q456-K459 PolarHBondContact O-N 3.37Å; K459-S463 PolarHBondContact O-N 3.45Å
460	L	98.5	Very high	97.9	Very high	52 Å²	52	63.6 Å²	63.6	27%	0.272	33%	0.329	S	S	.	.	H	α-helix	trans	-64.6	-45.8	175.9	179	57	0	0	0	111.2	W396 L413 V415 Q456 L457 D458 R462 S463 I464	W396-L460 HydrophobicContact CB-CD2 4.49Å; W396-L460 HydrophobicContact CG-CD2 4.41Å; L413-L460 HydrophobicContact CD2-CB 4.04Å; L413-L460 HydrophobicContact CD2-CD2 3.94Å; L413-L460 HydrophobicContact CD2-CG 3.88Å; V415-L460 HydrophobicContact CG2-CD2 3.91Å; Q456-L460 PolarHBondContact O-N 2.91Å; L457-L460 PolarHBondContact O-N 3.14Å; D458-L460 VanDerWaalsContact C-N 3.32Å; D458-L460 PolarHBondContact O-N 2.82Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.1Å; L460-S463 WeakPolarHBondContact O-CB 3.36Å; L460-S463 PolarHBondContact O-N 3.28Å; L460-S463 PolarHBondContact O-OG 3.17Å; L460-I464 HydrophobicContact CD1-CD1 4.23Å; L460-I464 HydrophobicContact CG-CD1 4.15Å; L460-I464 WeakPolarHBondContact O-CG1 3.43Å; L460-I464 PolarHBondContact O-N 2.89Å
461	L	98.6	Very high	97.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.7	-45.7	177.8	178.5	59.6	0	0	0	111.3	L398 L413 Y420 A422 L457 D458 S463 I464 V465 Y467	L398-L461 HydrophobicContact CD1-CD1 3.6Å; L413-L461 HydrophobicContact CB-CD1 4.29Å; L413-L461 HydrophobicContact CD1-CD1 4.49Å; L413-L461 HydrophobicContact CD2-CB 4.12Å; Y420-L461 HydrophobicContact CD1-CD2 4.23Å; Y420-L461 HydrophobicContact CE1-CD2 3.99Å; A422-L461 HydrophobicContact CB-CD2 3.72Å; L457-L461 WeakPolarHBondContact O-CB 3.25Å; L457-L461 PolarHBondContact O-N 3.45Å; D458-L461 PolarHBondContact O-N 3.38Å; L461-S463 PolarHBondContact O-N 3.25Å; L461-I464 WeakPolarHBondContact O-CB 3.27Å; L461-I464 PolarHBondContact O-N 3.22Å; L461-V465 HydrophobicContact CD1-CG1 3.6Å; L461-V465 HydrophobicContact CG-CG1 4.23Å; L461-V465 PolarHBondContact O-N 3.37Å; L461-Y467 HydrophobicContact CD2-CD1 3.9Å; L461-Y467 HydrophobicContact CD2-CE1 3.89Å; L461-Y467 HydrophobicContact CG-CD1 3.96Å; L461-Y467 HydrophobicContact CG-CE1 4.17Å
462	R	97.9	Very high	97.9	Very high	103 Å²	103	60 Å²	60	39%	0.389	32%	0.316	S	S	.	.	H	α-helix	trans	-64.4	-24.5	177.5	-71.5	177.6	177.9	-85	1.6	114	D458 L460 I464 V465 Y467	D458-R462 WeakPolarHBondContact O-CB 3.41Å; D458-R462 WeakPolarHBondContact O-CG 3.27Å; D458-R462 PolarHBondContact O-N 3.38Å; D458-R462 WeakPolarHBondContact OD2-CD 3.43Å; D458-R462 IonicContact OD2-CZ 2.74Å; D458-R462 IonicContact OD2-NE 2.84Å; D458-R462 PolarHBondContact OD2-NE 3.37Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.1Å; R462-I464 VanDerWaalsContact C-N 3.29Å; R462-V465 WeakPolarHBondContact CA-O 3.47Å; R462-Y467 HydrophobicContact CG-CD1 4.1Å; R462-Y467 HydrophobicContact CG-CE1 3.54Å; R462-Y467 VanDerWaalsContact CZ-CZ 3.49Å; R462-Y467 VanDerWaalsContact CZ-OH 3.27Å; R462-Y467 PolarHBondContact NE-OH 3.24Å; R462-Y467 VanDerWaalsContact NH2-CZ 3.29Å; R462-Y467 PolarHBondContact NH2-OH 3.11Å
463	S	97.3	Very high	97.8	Very high	89 Å²	89	55.6 Å²	55.6	62%	0.622	30%	0.299	S	S	*	.	H	α-helix	trans	-75.3	-20.8	173.2	78.3	0	0	0	0	113.1	K459 L460 L461	K459-S463 PolarHBondContact O-N 3.45Å; L460-S463 WeakPolarHBondContact O-CB 3.36Å; L460-S463 PolarHBondContact O-N 3.28Å; L460-S463 PolarHBondContact O-OG 3.17Å; L461-S463 PolarHBondContact O-N 3.25Å
464	I	96.9	Very high	97.8	Very high	33 Å²	33	54.3 Å²	54.3	17%	0.169	29%	0.291	C	S	.	.	H	α-helix	trans	-94.3	-42.6	179.7	-58.4	158.2	0	0	0	110.4	F89 W396 L398 L413 L460 L461 R462	F89-I464 HydrophobicContact CE2-CG2 4.23Å; W396-I464 HydrophobicContact CD2-CD1 3.6Å; W396-I464 HydrophobicContact CE3-CD1 3.61Å; W396-I464 HydrophobicContact CG-CD1 4.33Å; W396-I464 HydrophobicContact CH2-CB 4.48Å; W396-I464 HydrophobicContact CH2-CD1 3.8Å; W396-I464 HydrophobicContact CH2-CG1 3.84Å; W396-I464 HydrophobicContact CH2-CG2 3.76Å; W396-I464 HydrophobicContact CZ2-CD1 3.76Å; W396-I464 HydrophobicContact CZ2-CG1 3.78Å; W396-I464 HydrophobicContact CZ3-CD1 3.72Å; W396-I464 HydrophobicContact CZ3-CG1 4.22Å; W396-I464 HydrophobicContact CZ3-CG2 3.95Å; L398-I464 HydrophobicContact CD2-CG2 3.89Å; L413-I464 HydrophobicContact CD1-CD1 3.62Å; L460-I464 HydrophobicContact CD1-CD1 4.23Å; L460-I464 HydrophobicContact CG-CD1 4.15Å; L460-I464 WeakPolarHBondContact O-CG1 3.43Å; L460-I464 PolarHBondContact O-N 2.89Å; L461-I464 WeakPolarHBondContact O-CB 3.27Å; L461-I464 PolarHBondContact O-N 3.22Å; R462-I464 VanDerWaalsContact C-N 3.29Å
465	V	97.5	Very high	97.7	Very high	4 Å²	4	54 Å²	54	2%	0.024	29%	0.289	C	S	.	.			trans	-144.4	129.8	-176.7	58.8	0	0	0	0	111.4	H91 L398 Y411 L461 R462 Y467 V470	H91-V465 HydrophobicContact CB-CG2 4.31Å; L398-V465 HydrophobicContact CD1-CG1 4.4Å; L398-V465 HydrophobicContact CD2-CG1 4.36Å; Y411-V465 HydrophobicContact CD1-CG1 4.31Å; Y411-V465 HydrophobicContact CE1-CG2 4.38Å; L461-V465 HydrophobicContact CD1-CG1 3.6Å; L461-V465 HydrophobicContact CG-CG1 4.23Å; L461-V465 PolarHBondContact O-N 3.37Å; R462-V465 WeakPolarHBondContact CA-O 3.47Å; V465-Y467 PolarHBondContact O-N 2.96Å; V465-V470 HydrophobicContact CG2-CG2 3.77Å
466	D	97.6	Very high	97.6	Very high	85 Å²	85	56.1 Å²	56.1	46%	0.455	29%	0.292	S	S	.	.			trans	-77.1	74.1	168.6	-175.4	-3.3	0	0	0	109.4	P468 K469 V470	D466-P468 VanDerWaalsContact C-CD 3.45Å; D466-P468 WeakPolarHBondContact OD1-CD 3.44Å; D466-K469 HydrophobicContact CB-CB 4.17Å; D466-K469 VanDerWaalsContact CG-CB 3.44Å; D466-K469 WeakPolarHBondContact O-CB 3.3Å; D466-K469 PolarHBondContact O-N 2.99Å; D466-K469 VanDerWaalsContact O-N 3.13Å; D466-K469 PolarHBondContact OD1-N 2.77Å; D466-K469 WeakPolarHBondContact OD2-CB 3.27Å; D466-V470 WeakPolarHBondContact O-CG2 3.34Å; D466-V470 PolarHBondContact O-N 2.99Å
467	Y	96.6	Very high	97.5	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-33.1	-170.6	64.8	-105.8	0	0	0	114.8	Y411 A422 A424 D458 L461 R462 V465 K469 V470 S471	Y411-Y467 HydrophobicContact CD2-CD2 4.39Å; Y411-Y467 HydrophobicContact CD2-CG 4.18Å; Y411-Y467 HydrophobicContact CE2-CD2 4.39Å; Y411-Y467 HydrophobicContact CE2-CG 4.32Å; Y411-Y467 HydrophobicContact CG-CG 4.46Å; Y411-Y467 VanDerWaalsContact CZ-CB 3.49Å; Y411-Y467 PolarHBondContact OH-O 3.12Å; Y411-Y467 VanDerWaalsContact OH-O 3.08Å; A422-Y467 HydrophobicContact CB-CE1 4.37Å; A422-Y467 HydrophobicContact CB-CE2 4.47Å; A424-Y467 WeakPolarHBondContact O-CD2 3.4Å; D458-Y467 PolarHBondContact OD1-OH 3.25Å; D458-Y467 PolarHBondContact OD2-OH 3.2Å; L461-Y467 HydrophobicContact CD2-CD1 3.9Å; L461-Y467 HydrophobicContact CD2-CE1 3.89Å; L461-Y467 HydrophobicContact CG-CD1 3.96Å; L461-Y467 HydrophobicContact CG-CE1 4.17Å; R462-Y467 HydrophobicContact CG-CD1 4.1Å; R462-Y467 HydrophobicContact CG-CE1 3.54Å; R462-Y467 VanDerWaalsContact CZ-CZ 3.49Å; R462-Y467 VanDerWaalsContact CZ-OH 3.27Å; R462-Y467 PolarHBondContact NE-OH 3.24Å; R462-Y467 VanDerWaalsContact NH2-CZ 3.29Å; R462-Y467 PolarHBondContact NH2-OH 3.11Å; V465-Y467 PolarHBondContact O-N 2.96Å; Y467-K469 PolarHBondContact O-N 3.41Å; Y467-V470 PolarHBondContact O-N 3.26Å; Y467-S471 WeakPolarHBondContact O-CB 3.13Å; Y467-S471 PolarHBondContact O-N 2.69Å
468	P	97.1	Very high	97.4	Very high	28 Å²	28	50.6 Å²	50.6	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-44.8	172	-23.4	35.9	0	0	0	112.2	D425 D466 V470 S471 S472	D425-P468 HydrophobicContact CB-CB 4.38Å; D466-P468 VanDerWaalsContact C-CD 3.45Å; D466-P468 WeakPolarHBondContact OD1-CD 3.44Å; P468-V470 PolarHBondContact O-N 2.85Å; P468-S471 PolarHBondContact O-N 3.34Å; P468-S472 PolarHBondContact O-N 3.45Å; P468-S472 PolarHBondContact O-OG 3.43Å
469	K	97.9	Very high	97.3	Very high	145 Å²	145	50.9 Å²	50.9	63%	0.63	27%	0.265	S	S	*	.	H	α-helix	trans	-63.8	-41.6	177.2	-177.2	180	179.3	-179.8	0	111.9	D466 Y467 S472 A473	D466-K469 HydrophobicContact CB-CB 4.17Å; D466-K469 VanDerWaalsContact CG-CB 3.44Å; D466-K469 WeakPolarHBondContact O-CB 3.3Å; D466-K469 PolarHBondContact O-N 2.99Å; D466-K469 VanDerWaalsContact O-N 3.13Å; D466-K469 PolarHBondContact OD1-N 2.77Å; D466-K469 WeakPolarHBondContact OD2-CB 3.27Å; Y467-K469 PolarHBondContact O-N 3.41Å; K469-S472 PolarHBondContact O-N 2.68Å; K469-A473 PolarHBondContact O-N 3.41Å
470	V	98.1	Very high	97.3	Very high	15 Å²	15	47.2 Å²	47.2	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-45.4	175	174.6	0	0	0	0	110.4	H91 W96 Y411 V465 D466 Y467 P468 S472 A473 V474	H91-V470 HydrophobicContact CB-CG1 3.98Å; H91-V470 HydrophobicContact CB-CG2 3.65Å; W96-V470 HydrophobicContact CH2-CG1 3.97Å; W96-V470 HydrophobicContact CZ3-CG1 3.7Å; Y411-V470 HydrophobicContact CE1-CB 4.37Å; Y411-V470 HydrophobicContact CE1-CG1 4.12Å; Y411-V470 WeakPolarHBondContact OH-CB 3.49Å; Y411-V470 VanDerWaalsContact OH-CG1 3.27Å; Y411-V470 WeakPolarHBondContact OH-CG1 3.31Å; V465-V470 HydrophobicContact CG2-CG2 3.77Å; D466-V470 WeakPolarHBondContact O-CG2 3.34Å; D466-V470 PolarHBondContact O-N 2.99Å; Y467-V470 PolarHBondContact O-N 3.26Å; P468-V470 PolarHBondContact O-N 2.85Å; V470-S472 PolarHBondContact O-N 2.64Å; V470-A473 WeakPolarHBondContact O-CB 3.23Å; V470-A473 PolarHBondContact O-N 3.35Å; V470-A473 VanDerWaalsContact O-N 3.17Å; V470-V474 HydrophobicContact CG1-CG2 4.47Å; V470-V474 WeakPolarHBondContact O-CG2 3.11Å; V470-V474 PolarHBondContact O-N 2.92Å
471	S	97.3	Very high	97.2	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-43.8	178.1	-161.3	0	0	0	0	111.7	S409 Y411 Y467 P468 A473 V474 H475	S409-S471 WeakPolarHBondContact CB-OG 3.29Å; S409-S471 PolarHBondContact OG-OG 3.31Å; Y411-S471 PolarHBondContact OH-N 2.95Å; Y467-S471 WeakPolarHBondContact O-CB 3.13Å; Y467-S471 PolarHBondContact O-N 2.69Å; P468-S471 PolarHBondContact O-N 3.34Å; S471-A473 VanDerWaalsContact C-N 3.33Å; S471-A473 PolarHBondContact O-N 3.16Å; S471-V474 PolarHBondContact O-N 3.09Å; S471-H475 PolarHBondContact O-CD2 3.26Å; S471-H475 PolarHBondContact O-N 2.86Å; S471-H475 PolarHBondContact OG-NE2 3.18Å
472	S	96.9	Very high	97.1	Very high	78 Å²	78	47.7 Å²	47.7	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-41.4	174.1	-60.6	0	0	0	0	112.6	P468 K469 V470 H475 L476	P468-S472 PolarHBondContact O-N 3.45Å; P468-S472 PolarHBondContact O-OG 3.43Å; K469-S472 PolarHBondContact O-N 2.68Å; V470-S472 PolarHBondContact O-N 2.64Å; S472-H475 PolarHBondContact O-N 3.49Å; S472-L476 PolarHBondContact O-N 2.85Å
473	A	97.6	Very high	97.1	Very high	45 Å²	45	44 Å²	44	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-41	176.9	0	0	0	0	0	112.2	K469 V470 S471 L476 Y477	K469-A473 PolarHBondContact O-N 3.41Å; V470-A473 WeakPolarHBondContact O-CB 3.23Å; V470-A473 PolarHBondContact O-N 3.35Å; V470-A473 VanDerWaalsContact O-N 3.17Å; S471-A473 VanDerWaalsContact C-N 3.33Å; S471-A473 PolarHBondContact O-N 3.16Å; A473-L476 PolarHBondContact O-N 3.11Å; A473-Y477 WeakPolarHBondContact O-CB 3.38Å; A473-Y477 PolarHBondContact O-N 3.27Å
474	V	97.3	Very high	97.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-45.1	174.6	167.8	0	0	0	0	111.2	W96 H402 V470 S471 L476 Y477 N478	W96-V474 HydrophobicContact CD2-CG2 3.75Å; W96-V474 HydrophobicContact CE3-CG2 3.59Å; W96-V474 HydrophobicContact CG-CG2 4.23Å; W96-V474 HydrophobicContact CH2-CG2 4.44Å; W96-V474 HydrophobicContact CZ3-CG2 3.96Å; H402-V474 HydrophobicContact CB-CG1 3.85Å; H402-V474 HydrophobicContact CB-CG2 3.97Å; V470-V474 HydrophobicContact CG1-CG2 4.47Å; V470-V474 WeakPolarHBondContact O-CG2 3.11Å; V470-V474 PolarHBondContact O-N 2.92Å; S471-V474 PolarHBondContact O-N 3.09Å; V474-L476 VanDerWaalsContact C-N 3.33Å; V474-L476 PolarHBondContact O-N 3.47Å; V474-Y477 PolarHBondContact O-N 2.78Å; V474-N478 WeakPolarHBondContact O-CB 3.21Å; V474-N478 VanDerWaalsContact O-CG 3.26Å; V474-N478 PolarHBondContact O-N 3.33Å
475	H	95.7	Very high	97.1	Very high	51 Å²	51	41.8 Å²	41.8	24%	0.236	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-43.5	177.1	-69.2	-53.6	0	0	0	111.9	D145 S471 S472 N478 K479	D145-H475 IonicContact OD1-CE1 2.78Å; D145-H475 PolarHBondContact OD1-CE1 3.03Å; D145-H475 IonicContact OD1-ND1 3.5Å; D145-H475 IonicContact OD2-CE1 3.72Å; D145-H475 PolarHBondContact OD2-CE1 3.1Å; D145-H475 VanDerWaalsContact OD2-CE1 3.3Å; D145-H475 IonicContact OD2-CG 2.75Å; D145-H475 IonicContact OD2-ND1 2.8Å; D145-H475 PolarHBondContact OD2-ND1 3.43Å; S471-H475 PolarHBondContact O-CD2 3.26Å; S471-H475 PolarHBondContact O-N 2.86Å; S471-H475 PolarHBondContact OG-NE2 3.18Å; S472-H475 PolarHBondContact O-N 3.49Å; H475-N478 PolarHBondContact O-N 3.41Å; H475-K479 WeakPolarHBondContact O-CG 3.35Å; H475-K479 PolarHBondContact O-N 3.35Å
476	L	96.4	Very high	97.1	Very high	105 Å²	105	43.8 Å²	43.8	55%	0.55	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-45.7	177.1	-179.1	61	0	0	0	111.6	S472 A473 V474 N478 K479 N480	S472-L476 PolarHBondContact O-N 2.85Å; A473-L476 PolarHBondContact O-N 3.11Å; V474-L476 VanDerWaalsContact C-N 3.33Å; V474-L476 PolarHBondContact O-N 3.47Å; L476-N478 PolarHBondContact O-N 3.28Å; L476-K479 PolarHBondContact O-N 2.75Å; L476-N480 WeakPolarHBondContact O-CB 3.17Å; L476-N480 PolarHBondContact O-N 3.33Å; L476-N480 PolarHBondContact O-ND2 2.86Å
477	Y	97	Very high	97	Very high	31 Å²	31	45.1 Å²	45.1	12%	0.122	25%	0.248	C	C	.	.	H	α-helix	trans	-56.1	-50.4	174.4	165.9	-95.6	0	0	0	111.2	W96 K100 W142 A473 V474 K479 N480 E481	W96-Y477 AromaticContact CD1-CD1 3.73Å; W96-Y477 AromaticContact CD1-CG 3.77Å; W96-Y477 HydrophobicContact CG-CD1 4.43Å; K100-Y477 HydrophobicContact CB-CE1 4.32Å; K100-Y477 HydrophobicContact CB-CE2 4.06Å; K100-Y477 WeakPolarHBondContact CB-OH 3.36Å; K100-Y477 HydrophobicContact CG-CE2 4Å; W142-Y477 AromaticContact CD1-CE1 3.97Å; W142-Y477 AromaticContact NE1-CE1 3.77Å; W142-Y477 AromaticContact NE1-CZ 3.93Å; W142-Y477 PolarHBondContact NE1-OH 3.31Å; A473-Y477 WeakPolarHBondContact O-CB 3.38Å; A473-Y477 PolarHBondContact O-N 3.27Å; V474-Y477 PolarHBondContact O-N 2.78Å; Y477-K479 PolarHBondContact O-N 2.99Å; Y477-N480 PolarHBondContact O-N 2.99Å; Y477-E481 HydrophobicContact CD2-CG 3.81Å; Y477-E481 HydrophobicContact CE1-CG 4.17Å; Y477-E481 HydrophobicContact CE2-CG 3.33Å; Y477-E481 HydrophobicContact CG-CG 4.4Å; Y477-E481 WeakPolarHBondContact O-CB 3.4Å; Y477-E481 VanDerWaalsContact O-CG 3.32Å; Y477-E481 WeakPolarHBondContact O-CG 3.46Å; Y477-E481 PolarHBondContact O-N 3.01Å
478	N	97.1	Very high	97.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-46.3	179.5	-78.9	-8.6	0	0	0	112.4	A141 W142 V474 H475 L476 F482 W520	A141-N478 PolarHBondContact O-ND2 2.83Å; W142-N478 HydrophobicContact CB-CB 4.27Å; W142-N478 WeakPolarHBondContact O-CB 3.37Å; V474-N478 WeakPolarHBondContact O-CB 3.21Å; V474-N478 VanDerWaalsContact O-CG 3.26Å; V474-N478 PolarHBondContact O-N 3.33Å; H475-N478 PolarHBondContact O-N 3.41Å; L476-N478 PolarHBondContact O-N 3.28Å; N478-F482 WeakPolarHBondContact O-CB 3.46Å; N478-F482 PolarHBondContact O-N 2.8Å; N478-W520 HydrophobicContact CB-CZ2 4.46Å
479	K	96.3	Very high	97.1	Very high	32 Å²	32	50 Å²	50	14%	0.139	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-47.6	177.1	-77.2	-173.8	177.5	-170	0	112	H475 L476 Y477 F482 A483 W520 H523	H475-K479 WeakPolarHBondContact O-CG 3.35Å; H475-K479 PolarHBondContact O-N 3.35Å; L476-K479 PolarHBondContact O-N 2.75Å; Y477-K479 PolarHBondContact O-N 2.99Å; K479-F482 PolarHBondContact O-N 2.84Å; K479-A483 VanDerWaalsContact O-CB 3.25Å; K479-A483 WeakPolarHBondContact O-CB 3.29Å; K479-A483 PolarHBondContact O-N 3.13Å; K479-W520 HydrophobicContact CB-CH2 4.43Å; K479-W520 HydrophobicContact CB-CZ2 4.37Å; K479-W520 WeakPolarHBondContact CE-O 3.47Å; K479-W520 HydrophobicContact CG-CD2 4.42Å; K479-W520 HydrophobicContact CG-CH2 3.86Å; K479-W520 HydrophobicContact CG-CZ2 3.42Å; K479-W520 VanDerWaalsContact CG-CZ2 3.42Å; K479-W520 PolarHBondContact NZ-O 2.64Å; K479-H523 PolarHBondContact NZ-O 3.23Å
480	N	96.9	Very high	97	Very high	91 Å²	91	45.4 Å²	45.4	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-46.7	-177.7	-70.7	-14.8	0	0	0	111.6	L476 Y477 A483 A484	L476-N480 WeakPolarHBondContact O-CB 3.17Å; L476-N480 PolarHBondContact O-N 3.33Å; L476-N480 PolarHBondContact O-ND2 2.86Å; Y477-N480 PolarHBondContact O-N 2.99Å; N480-A483 PolarHBondContact O-N 2.97Å; N480-A484 WeakPolarHBondContact O-CB 3.35Å; N480-A484 PolarHBondContact O-N 2.89Å
481	E	96.8	Very high	96.8	Very high	61 Å²	61	56.5 Å²	56.5	29%	0.285	31%	0.313	S	S	.	.	H	α-helix	trans	-68.4	-40.4	-179.9	-68.2	-67.2	130.1	0	0	112.5	W142 Y477 W485	W142-E481 HydrophobicContact CD2-CB 3.97Å; W142-E481 VanDerWaalsContact CE2-CB 3.44Å; W142-E481 HydrophobicContact CG-CB 4.3Å; W142-E481 HydrophobicContact CH2-CB 4.26Å; W142-E481 HydrophobicContact CZ2-CB 3.61Å; W142-E481 HydrophobicContact CZ2-CG 4.35Å; Y477-E481 HydrophobicContact CD2-CG 3.81Å; Y477-E481 HydrophobicContact CE1-CG 4.17Å; Y477-E481 HydrophobicContact CE2-CG 3.33Å; Y477-E481 HydrophobicContact CG-CG 4.4Å; Y477-E481 WeakPolarHBondContact O-CB 3.4Å; Y477-E481 VanDerWaalsContact O-CG 3.32Å; Y477-E481 WeakPolarHBondContact O-CG 3.46Å; Y477-E481 PolarHBondContact O-N 3.01Å; E481-W485 VanDerWaalsContact O-CB 3.31Å; E481-W485 WeakPolarHBondContact O-CB 3.45Å; E481-W485 PolarHBondContact O-N 3.45Å
482	F	97.3	Very high	96.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-45.1	175.4	-177.4	-87.5	0	0	0	111.5	V139 W142 T143 N478 K479 W485 R486 Y493 I497 I517 W520 L521	V139-F482 HydrophobicContact CG1-CD2 4.33Å; V139-F482 HydrophobicContact CG1-CE2 3.91Å; W142-F482 HydrophobicContact CB-CB 3.98Å; W142-F482 HydrophobicContact CB-CD2 4.44Å; W142-F482 HydrophobicContact CE3-CB 4.23Å; W142-F482 HydrophobicContact CE3-CD2 4.27Å; T143-F482 HydrophobicContact CG2-CD2 3.36Å; T143-F482 HydrophobicContact CG2-CE2 3.26Å; T143-F482 HydrophobicContact CG2-CG 4.23Å; T143-F482 HydrophobicContact CG2-CZ 4.07Å; N478-F482 WeakPolarHBondContact O-CB 3.46Å; N478-F482 PolarHBondContact O-N 2.8Å; K479-F482 PolarHBondContact O-N 2.84Å; F482-W485 HydrophobicContact CD2-CE3 4.07Å; F482-W485 HydrophobicContact CD2-CZ3 4.26Å; F482-W485 AromaticContact CE2-CE3 3.89Å; F482-W485 HydrophobicContact CE2-CE3 3.89Å; F482-W485 AromaticContact CE2-CZ3 3.63Å; F482-W485 HydrophobicContact CE2-CZ3 3.63Å; F482-W485 HydrophobicContact CZ-CE3 4.39Å; F482-W485 HydrophobicContact CZ-CZ3 4.06Å; F482-W485 PolarHBondContact O-N 3.14Å; F482-R486 HydrophobicContact CE1-CB 4.34Å; F482-R486 WeakPolarHBondContact O-CB 3.44Å; F482-R486 PolarHBondContact O-N 3.27Å; F482-Y493 HydrophobicContact CE1-CE2 4.49Å; F482-Y493 AromaticContact CZ-CE2 3.91Å; F482-Y493 HydrophobicContact CZ-CE2 3.91Å; F482-I497 HydrophobicContact CE2-CD1 4.29Å; F482-I497 HydrophobicContact CZ-CD1 4.13Å; F482-I517 HydrophobicContact CD1-CG2 4.44Å; F482-I517 HydrophobicContact CE1-CG2 3.45Å; F482-I517 VanDerWaalsContact CE1-CG2 3.45Å; F482-I517 HydrophobicContact CZ-CD1 3.87Å; F482-I517 HydrophobicContact CZ-CG2 3.77Å; F482-W520 HydrophobicContact CB-CH2 4.01Å; F482-W520 HydrophobicContact CB-CZ3 4.07Å; F482-W520 AromaticContact CD1-CZ3 3.78Å; F482-W520 HydrophobicContact CD1-CZ3 3.78Å; F482-W520 HydrophobicContact CE1-CZ3 4.43Å; F482-W520 HydrophobicContact CG-CH2 4.28Å; F482-W520 AromaticContact CG-CZ3 3.9Å; F482-W520 HydrophobicContact CG-CZ3 3.9Å; F482-L521 HydrophobicContact CD1-CD1 4.04Å; F482-L521 HydrophobicContact CD1-CD2 4.11Å; F482-L521 HydrophobicContact CD1-CG 4.44Å; F482-L521 HydrophobicContact CE1-CD1 4.01Å
483	A	97.3	Very high	96.7	Very high	26 Å²	26	58.2 Å²	58.2	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-48.4	177.6	0	0	0	0	0	111	K479 N480 W485 R486 D487 L521	K479-A483 VanDerWaalsContact O-CB 3.25Å; K479-A483 WeakPolarHBondContact O-CB 3.29Å; K479-A483 PolarHBondContact O-N 3.13Å; N480-A483 PolarHBondContact O-N 2.97Å; A483-W485 VanDerWaalsContact C-N 3.33Å; A483-W485 PolarHBondContact O-N 3.13Å; A483-R486 PolarHBondContact O-N 2.93Å; A483-D487 WeakPolarHBondContact O-CB 3.35Å; A483-D487 PolarHBondContact O-N 3.38Å; A483-L521 HydrophobicContact CB-CD2 4.36Å
484	A	97.3	Very high	96.5	Very high	57 Å²	57	58.6 Å²	58.6	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-41.8	176.9	0	0	0	0	0	112.3	N480 S488	N480-A484 WeakPolarHBondContact O-CB 3.35Å; N480-A484 PolarHBondContact O-N 2.89Å; A484-S488 WeakPolarHBondContact O-CB 3.37Å; A484-S488 PolarHBondContact O-N 3.44Å
485	W	97	Very high	96.4	Very high	19 Å²	19	64.9 Å²	64.9	7%	0.072	34%	0.344	C	S	.	.	H	α-helix	trans	-64.1	-47.1	175.3	170.6	73.2	0	0	0	111.9	V135 V139 W142 E481 F482 A483 D487 S488 L489 Y493 V496 I497	V135-W485 HydrophobicContact CG1-CZ2 3.75Å; V139-W485 HydrophobicContact CG1-CH2 4.32Å; V139-W485 HydrophobicContact CG1-CZ3 4.15Å; V139-W485 HydrophobicContact CG2-CD2 3.88Å; V139-W485 HydrophobicContact CG2-CE3 3.81Å; V139-W485 HydrophobicContact CG2-CH2 3.55Å; V139-W485 HydrophobicContact CG2-CZ2 3.61Å; V139-W485 HydrophobicContact CG2-CZ3 3.63Å; W142-W485 HydrophobicContact CH2-CB 3.97Å; W142-W485 HydrophobicContact CH2-CG 4.35Å; W142-W485 HydrophobicContact CZ3-CB 3.58Å; W142-W485 HydrophobicContact CZ3-CD2 4.2Å; W142-W485 AromaticContact CZ3-CG 3.77Å; W142-W485 HydrophobicContact CZ3-CG 3.77Å; E481-W485 VanDerWaalsContact O-CB 3.31Å; E481-W485 WeakPolarHBondContact O-CB 3.45Å; E481-W485 PolarHBondContact O-N 3.45Å; F482-W485 HydrophobicContact CD2-CE3 4.07Å; F482-W485 HydrophobicContact CD2-CZ3 4.26Å; F482-W485 AromaticContact CE2-CE3 3.89Å; F482-W485 HydrophobicContact CE2-CE3 3.89Å; F482-W485 AromaticContact CE2-CZ3 3.63Å; F482-W485 HydrophobicContact CE2-CZ3 3.63Å; F482-W485 HydrophobicContact CZ-CE3 4.39Å; F482-W485 HydrophobicContact CZ-CZ3 4.06Å; F482-W485 PolarHBondContact O-N 3.14Å; A483-W485 VanDerWaalsContact C-N 3.33Å; A483-W485 PolarHBondContact O-N 3.13Å; W485-D487 VanDerWaalsContact C-N 3.35Å; W485-D487 PolarHBondContact O-N 2.93Å; W485-S488 WeakPolarHBondContact O-CB 3.41Å; W485-S488 PolarHBondContact O-N 2.94Å; W485-S488 PolarHBondContact O-OG 3.31Å; W485-L489 HydrophobicContact CD2-CD1 4.19Å; W485-L489 HydrophobicContact CH2-CD1 3.95Å; W485-L489 HydrophobicContact CZ2-CD1 3.42Å; W485-L489 VanDerWaalsContact CZ2-CD1 3.42Å; W485-L489 PolarHBondContact O-N 3.02Å; W485-Y493 HydrophobicContact CH2-CD2 4.35Å; W485-Y493 HydrophobicContact CH2-CE2 4.29Å; W485-Y493 HydrophobicContact CZ3-CD2 4.07Å; W485-Y493 AromaticContact CZ3-CE2 3.77Å; W485-Y493 HydrophobicContact CZ3-CE2 3.77Å; W485-V496 HydrophobicContact CH2-CG1 4.47Å; W485-V496 HydrophobicContact CZ2-CG1 3.84Å; W485-I497 HydrophobicContact CH2-CB 4.2Å; W485-I497 HydrophobicContact CH2-CG1 4.44Å
486	R	96.8	Very high	96.3	Very high	46 Å²	46	64.8 Å²	64.8	17%	0.174	35%	0.347	C	S	.	.	H	α-helix	trans	-56.9	-48.6	176.5	176.2	174.3	79.1	164.7	4.8	111.3	F482 A483 S488 L489 G490 Y493 D518 L521	F482-R486 HydrophobicContact CE1-CB 4.34Å; F482-R486 WeakPolarHBondContact O-CB 3.44Å; F482-R486 PolarHBondContact O-N 3.27Å; A483-R486 PolarHBondContact O-N 2.93Å; R486-S488 VanDerWaalsContact C-N 3.29Å; R486-S488 PolarHBondContact O-N 3.3Å; R486-L489 PolarHBondContact O-N 3.28Å; R486-L489 VanDerWaalsContact O-N 3.1Å; R486-G490 PolarHBondContact O-N 2.99Å; R486-Y493 HydrophobicContact CB-CD2 4.06Å; R486-Y493 HydrophobicContact CB-CE2 4.19Å; R486-Y493 HydrophobicContact CG-CD1 4.14Å; R486-Y493 HydrophobicContact CG-CD2 3.58Å; R486-Y493 HydrophobicContact CG-CE1 4.37Å; R486-Y493 HydrophobicContact CG-CE2 3.83Å; R486-Y493 HydrophobicContact CG-CG 3.73Å; R486-D518 IonicContact NH1-OD1 3.7Å; R486-D518 PolarHBondContact NH1-OD1 3.03Å; R486-L521 VanDerWaalsContact NH1-CD1 3.3Å
487	D	97.1	Very high	96.2	Very high	112 Å²	112	59.8 Å²	59.8	60%	0.599	32%	0.321	S	S	*	.	H	α-helix	trans	-63.4	-36.9	-179.1	-66.9	-11.2	0	0	0	111.5	A483 W485 L489 G490	A483-D487 WeakPolarHBondContact O-CB 3.35Å; A483-D487 PolarHBondContact O-N 3.38Å; W485-D487 VanDerWaalsContact C-N 3.35Å; W485-D487 PolarHBondContact O-N 2.93Å; D487-L489 PolarHBondContact O-N 3.23Å; D487-G490 PolarHBondContact O-N 3.37Å; D487-G490 VanDerWaalsContact O-N 3.17Å
488	S	97.4	Very high	95.9	Very high	92 Å²	92	59 Å²	59	64%	0.643	32%	0.32	S	S	*	.	H	α-helix	trans	-62.5	-23.4	175.8	80.3	0	0	0	0	114.1	A484 W485 R486	A484-S488 WeakPolarHBondContact O-CB 3.37Å; A484-S488 PolarHBondContact O-N 3.44Å; W485-S488 WeakPolarHBondContact O-CB 3.41Å; W485-S488 PolarHBondContact O-N 2.94Å; W485-S488 PolarHBondContact O-OG 3.31Å; R486-S488 VanDerWaalsContact C-N 3.29Å; R486-S488 PolarHBondContact O-N 3.3Å
489	L	97.4	Very high	95.6	Very high	41 Å²	41	64 Å²	64	22%	0.215	35%	0.347	C	S	.	.	H	α-helix	trans	-89	-21.2	178	-65	176.5	0	0	0	113	W485 R486 D487 R491 N492 Y493 V496	W485-L489 HydrophobicContact CD2-CD1 4.19Å; W485-L489 HydrophobicContact CH2-CD1 3.95Å; W485-L489 HydrophobicContact CZ2-CD1 3.42Å; W485-L489 VanDerWaalsContact CZ2-CD1 3.42Å; W485-L489 PolarHBondContact O-N 3.02Å; R486-L489 PolarHBondContact O-N 3.28Å; R486-L489 VanDerWaalsContact O-N 3.1Å; D487-L489 PolarHBondContact O-N 3.23Å; L489-R491 PolarHBondContact O-N 3.05Å; L489-N492 WeakPolarHBondContact O-CB 3.35Å; L489-N492 PolarHBondContact O-N 2.91Å; L489-Y493 HydrophobicContact CD1-CD2 4.47Å; L489-V496 HydrophobicContact CD1-CB 3.87Å; L489-V496 HydrophobicContact CD1-CG1 3.84Å; L489-V496 HydrophobicContact CD1-CG2 4.21Å; L489-V496 HydrophobicContact CD2-CG2 4.25Å
490	G	95.8	Very high	95.3	Very high	47 Å²	47	63 Å²	63	49%	0.485	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	51.4	-124.5	-175.9	0	0	0	0	0	112.2	R486 D487 N492 Y493	R486-G490 PolarHBondContact O-N 2.99Å; D487-G490 PolarHBondContact O-N 3.37Å; D487-G490 VanDerWaalsContact O-N 3.17Å; G490-N492 PolarHBondContact O-N 3.22Å; G490-Y493 WeakPolarHBondContact O-CB 3.5Å; G490-Y493 PolarHBondContact O-N 3.39Å
491	R	94.8	Very high	94.8	Very high	249 Å²	249	60.9 Å²	60.9	94%	0.94	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-67.1	-15.2	-178.1	-58.1	-174.5	-162.5	173.5	5.4	114.2	L489 Y493	L489-R491 PolarHBondContact O-N 3.05Å; R491-Y493 VanDerWaalsContact C-N 3.3Å
492	N	96.5	Very high	94.4	Very high	96 Å²	96	58.1 Å²	58.1	51%	0.513	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-84.5	-5.8	-179.4	-62.3	-13	0	0	0	112.7	L489 G490 S494 E495 V496	L489-N492 WeakPolarHBondContact O-CB 3.35Å; L489-N492 PolarHBondContact O-N 2.91Å; G490-N492 PolarHBondContact O-N 3.22Å; N492-S494 PolarHBondContact O-N 3.16Å; N492-E495 PolarHBondContact O-N 3.45Å; N492-V496 HydrophobicContact CB-CG2 4.42Å; N492-V496 WeakPolarHBondContact O-CG2 3.21Å; N492-V496 PolarHBondContact O-N 3.26Å
493	Y	95.8	Very high	94	Very high	21 Å²	21	60.7 Å²	60.7	8%	0.082	33%	0.327	C	S	.	.	H	α-helix	trans	-52.2	-54.1	-174.8	164.4	-110.7	0	0	0	113.3	F482 W485 R486 L489 G490 R491 E495 V496 I497 I517	F482-Y493 HydrophobicContact CE1-CE2 4.49Å; F482-Y493 AromaticContact CZ-CE2 3.91Å; F482-Y493 HydrophobicContact CZ-CE2 3.91Å; W485-Y493 HydrophobicContact CH2-CD2 4.35Å; W485-Y493 HydrophobicContact CH2-CE2 4.29Å; W485-Y493 HydrophobicContact CZ3-CD2 4.07Å; W485-Y493 AromaticContact CZ3-CE2 3.77Å; W485-Y493 HydrophobicContact CZ3-CE2 3.77Å; R486-Y493 HydrophobicContact CB-CD2 4.06Å; R486-Y493 HydrophobicContact CB-CE2 4.19Å; R486-Y493 HydrophobicContact CG-CD1 4.14Å; R486-Y493 HydrophobicContact CG-CD2 3.58Å; R486-Y493 HydrophobicContact CG-CE1 4.37Å; R486-Y493 HydrophobicContact CG-CE2 3.83Å; R486-Y493 HydrophobicContact CG-CG 3.73Å; L489-Y493 HydrophobicContact CD1-CD2 4.47Å; G490-Y493 WeakPolarHBondContact O-CB 3.5Å; G490-Y493 PolarHBondContact O-N 3.39Å; R491-Y493 VanDerWaalsContact C-N 3.3Å; Y493-E495 VanDerWaalsContact C-N 3.29Å; Y493-E495 PolarHBondContact O-N 3.28Å; Y493-V496 PolarHBondContact O-N 3.18Å; Y493-V496 VanDerWaalsContact O-N 3.16Å; Y493-I497 HydrophobicContact CD2-CB 4.48Å; Y493-I497 HydrophobicContact CE1-CG2 4.45Å; Y493-I497 HydrophobicContact CE2-CB 4.05Å; Y493-I497 HydrophobicContact CE2-CD1 3.78Å; Y493-I497 HydrophobicContact CE2-CG1 4.49Å; Y493-I497 HydrophobicContact CE2-CG2 4.14Å; Y493-I497 WeakPolarHBondContact O-CG2 3.3Å; Y493-I497 PolarHBondContact O-N 3.13Å; Y493-I497 VanDerWaalsContact OH-CD1 3.29Å; Y493-I497 WeakPolarHBondContact OH-CD1 3.23Å; Y493-I517 VanDerWaalsContact OH-CD1 3.3Å; Y493-I517 WeakPolarHBondContact OH-CD1 3.27Å
494	S	93.4	Very high	93.5	Very high	54 Å²	54	63.2 Å²	63.2	38%	0.378	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-38	-176.7	-60.3	0	0	0	0	112.4	N492 A498 E514	N492-S494 PolarHBondContact O-N 3.16Å; S494-A498 WeakPolarHBondContact O-CB 3.28Å; S494-A498 PolarHBondContact O-N 2.9Å; S494-E514 VanDerWaalsContact CB-OE1 3.24Å; S494-E514 WeakPolarHBondContact CB-OE1 3.25Å; S494-E514 PolarHBondContact OG-OE1 3.39Å
495	E	93.6	Very high	93.2	Very high	132 Å²	132	61 Å²	61	62%	0.617	32%	0.315	S	S	*	.	H	α-helix	trans	-67.7	-46.1	175.9	-174.7	-177.4	177.2	0	0	111.4	N492 Y493 N499	N492-E495 PolarHBondContact O-N 3.45Å; Y493-E495 VanDerWaalsContact C-N 3.29Å; Y493-E495 PolarHBondContact O-N 3.28Å; E495-N499 PolarHBondContact O-N 3Å; E495-N499 PolarHBondContact O-ND2 3.31Å
496	V	94.4	Very high	93	Very high	49 Å²	49	60 Å²	60	30%	0.297	31%	0.312	S	S	.	.	H	α-helix	trans	-67.5	-45.4	-177	174.6	0	0	0	0	111.6	W485 L489 N492 Y493 A498 N499	W485-V496 HydrophobicContact CH2-CG1 4.47Å; W485-V496 HydrophobicContact CZ2-CG1 3.84Å; L489-V496 HydrophobicContact CD1-CB 3.87Å; L489-V496 HydrophobicContact CD1-CG1 3.84Å; L489-V496 HydrophobicContact CD1-CG2 4.21Å; L489-V496 HydrophobicContact CD2-CG2 4.25Å; N492-V496 HydrophobicContact CB-CG2 4.42Å; N492-V496 WeakPolarHBondContact O-CG2 3.21Å; N492-V496 PolarHBondContact O-N 3.26Å; Y493-V496 PolarHBondContact O-N 3.18Å; Y493-V496 VanDerWaalsContact O-N 3.16Å; V496-A498 VanDerWaalsContact C-N 3.32Å; V496-A498 PolarHBondContact O-N 3.06Å; V496-N499 PolarHBondContact O-N 3.26Å
497	I	94.3	Very high	92.7	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-66.8	-35	-178.6	-165.5	167.6	0	0	0	112.2	F482 W485 Y493 N499 L500 W502 W506 I517	F482-I497 HydrophobicContact CE2-CD1 4.29Å; F482-I497 HydrophobicContact CZ-CD1 4.13Å; W485-I497 HydrophobicContact CH2-CB 4.2Å; W485-I497 HydrophobicContact CH2-CG1 4.44Å; Y493-I497 HydrophobicContact CD2-CB 4.48Å; Y493-I497 HydrophobicContact CE1-CG2 4.45Å; Y493-I497 HydrophobicContact CE2-CB 4.05Å; Y493-I497 HydrophobicContact CE2-CD1 3.78Å; Y493-I497 HydrophobicContact CE2-CG1 4.49Å; Y493-I497 HydrophobicContact CE2-CG2 4.14Å; Y493-I497 WeakPolarHBondContact O-CG2 3.3Å; Y493-I497 PolarHBondContact O-N 3.13Å; Y493-I497 VanDerWaalsContact OH-CD1 3.29Å; Y493-I497 WeakPolarHBondContact OH-CD1 3.23Å; I497-N499 PolarHBondContact O-N 3.19Å; I497-L500 HydrophobicContact CG1-CD1 4.02Å; I497-L500 WeakPolarHBondContact O-CG 3.22Å; I497-L500 PolarHBondContact O-N 3.24Å; I497-W502 HydrophobicContact CG1-CZ2 4.35Å; I497-W502 PolarHBondContact O-NE1 2.83Å; I497-W506 HydrophobicContact CB-CZ2 4.48Å; I497-W506 HydrophobicContact CD1-CH2 3.45Å; I497-W506 VanDerWaalsContact CD1-CH2 3.45Å; I497-W506 HydrophobicContact CD1-CZ2 4.03Å; I497-W506 HydrophobicContact CD1-CZ3 3.82Å; I497-W506 HydrophobicContact CG1-CE3 4.39Å; I497-W506 HydrophobicContact CG1-CH2 3.83Å; I497-W506 HydrophobicContact CG1-CZ2 4.08Å; I497-W506 HydrophobicContact CG1-CZ3 3.98Å; I497-W506 HydrophobicContact CG2-CH2 4.19Å; I497-W506 HydrophobicContact CG2-CZ2 3.61Å; I497-I517 HydrophobicContact CD1-CD1 3.5Å; I497-I517 VanDerWaalsContact CD1-CD1 3.5Å
498	A	91.4	Very high	92.5	Very high	13 Å²	13	65.3 Å²	65.3	11%	0.107	33%	0.332	C	S	.	.	H	α-helix	trans	-68.4	-19.4	177.4	0	0	0	0	0	113.4	S494 V496 H503 W506	S494-A498 WeakPolarHBondContact O-CB 3.28Å; S494-A498 PolarHBondContact O-N 2.9Å; V496-A498 VanDerWaalsContact C-N 3.32Å; V496-A498 PolarHBondContact O-N 3.06Å; A498-H503 VanDerWaalsContact O-CA 3.24Å; A498-H503 WeakPolarHBondContact O-CA 3.24Å; A498-H503 WeakPolarHBondContact O-CB 3.07Å; A498-W506 VanDerWaalsContact CA-CD1 3.48Å; A498-W506 HydrophobicContact CB-CG 4.41Å
499	N	90	Very high	92.4	Very high	107 Å²	107	65.1 Å²	65.1	57%	0.572	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	12.2	-179.7	-74.7	-72.2	0	0	0	113.7	E495 V496 I497	E495-N499 PolarHBondContact O-N 3Å; E495-N499 PolarHBondContact O-ND2 3.31Å; V496-N499 PolarHBondContact O-N 3.26Å; I497-N499 PolarHBondContact O-N 3.19Å
500	L	90.4	Very high	92.3	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.052	33%	0.332	C	S	.	.	S	Bend	trans	-70.7	178.3	169.9	-59.1	179.1	0	0	0	111.1	V135 V139 I497 W502 H503	V135-L500 HydrophobicContact CB-CD2 4.5Å; V135-L500 HydrophobicContact CG1-CD2 3.97Å; V139-L500 HydrophobicContact CB-CD1 3.71Å; V139-L500 HydrophobicContact CG1-CD1 3.49Å; V139-L500 VanDerWaalsContact CG1-CD1 3.49Å; V139-L500 HydrophobicContact CG2-CD1 4.05Å; I497-L500 HydrophobicContact CG1-CD1 4.02Å; I497-L500 WeakPolarHBondContact O-CG 3.22Å; I497-L500 PolarHBondContact O-N 3.24Å; L500-W502 HydrophobicContact CD1-CZ2 3.8Å; L500-W502 PolarHBondContact O-N 3.32Å; L500-H503 VanDerWaalsContact O-CB 3.29Å; L500-H503 WeakPolarHBondContact O-CB 3.42Å; L500-H503 PolarHBondContact O-N 2.87Å; L500-H503 PolarHBondContact O-ND1 2.7Å
501	R	86.8	Confident	92.2	Very high	47 Å²	47	70.8 Å²	70.8	18%	0.177	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.5	-174.3	-70.6	-169.5	-74	177.9	2.4	113.5	N137 E140 Q152 E153 H503	N137-R501 PolarHBondContact ND2-NH2 2.81Å; E140-R501 IonicContact OE1-CZ 2.8Å; E140-R501 IonicContact OE1-NE 3.28Å; E140-R501 PolarHBondContact OE1-NE 3.04Å; E140-R501 IonicContact OE1-NH2 2.93Å; E140-R501 PolarHBondContact OE1-NH2 3.45Å; E140-R501 IonicContact OE2-CZ 2.85Å; E140-R501 IonicContact OE2-NE 2.8Å; E140-R501 IonicContact OE2-NH2 3.49Å; E140-R501 PolarHBondContact OE2-NH2 2.92Å; Q152-R501 WeakPolarHBondContact O-CB 3.34Å; Q152-R501 PolarHBondContact O-NE 3.36Å; E153-R501 IonicContact OE1-CZ 3.18Å; E153-R501 IonicContact OE1-NH1 3.94Å; E153-R501 PolarHBondContact OE1-NH1 2.8Å; E153-R501 IonicContact OE1-NH2 3.91Å; E153-R501 PolarHBondContact OE1-NH2 3.47Å; E153-R501 IonicContact OE2-CZ 2.76Å; E153-R501 IonicContact OE2-NH1 3.67Å; E153-R501 PolarHBondContact OE2-NH1 2.85Å; R501-H503 PolarHBondContact O-N 3.44Å; R501-H503 PolarHBondContact O-ND1 3.16Å
502	W	88.2	Confident	92.2	Very high	3 Å²	3	61 Å²	61	1%	0.011	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	9.7	176.6	56.3	40	0	0	0	116.4	V139 E140 T143 F148 L150 R151 Q152 I497 L500 M504 D505 W506	V139-W502 HydrophobicContact CG1-CH2 3.96Å; V139-W502 HydrophobicContact CG1-CZ2 3.87Å; E140-W502 HydrophobicContact CB-CZ3 4.15Å; E140-W502 HydrophobicContact CG-CE3 3.92Å; E140-W502 HydrophobicContact CG-CH2 3.96Å; E140-W502 HydrophobicContact CG-CZ3 3.48Å; E140-W502 VanDerWaalsContact CG-CZ3 3.48Å; T143-W502 WeakPolarHBondContact OG1-CH2 3.37Å; F148-W502 HydrophobicContact CE2-CH2 4.26Å; F148-W502 HydrophobicContact CE2-CZ3 4.09Å; F148-W502 HydrophobicContact CZ-CH2 4.16Å; F148-W502 HydrophobicContact CZ-CZ3 4.45Å; L150-W502 HydrophobicContact CB-CB 3.83Å; L150-W502 HydrophobicContact CB-CD2 4.2Å; L150-W502 HydrophobicContact CB-CE3 3.97Å; L150-W502 HydrophobicContact CB-CG 4.18Å; L150-W502 HydrophobicContact CD1-CB 4.33Å; L150-W502 HydrophobicContact CD1-CD2 3.77Å; L150-W502 HydrophobicContact CD1-CE3 4.06Å; L150-W502 HydrophobicContact CD1-CG 3.89Å; R151-W502 WeakPolarHBondContact O-CA 3.36Å; R151-W502 WeakPolarHBondContact O-CB 3.5Å; Q152-W502 HydrophobicContact CG-CE3 3.91Å; Q152-W502 HydrophobicContact CG-CZ3 4.18Å; I497-W502 HydrophobicContact CG1-CZ2 4.35Å; I497-W502 PolarHBondContact O-NE1 2.83Å; L500-W502 HydrophobicContact CD1-CZ2 3.8Å; L500-W502 PolarHBondContact O-N 3.32Å; W502-M504 VanDerWaalsContact C-N 3.25Å; W502-M504 PolarHBondContact O-N 3.08Å; W502-D505 PolarHBondContact O-N 2.82Å; W502-W506 AromaticContact CD1-CE3 3.99Å; W502-W506 HydrophobicContact CZ2-CE3 4.49Å; W502-W506 HydrophobicContact CZ2-CZ3 4.41Å; W502-W506 AromaticContact NE1-CE3 3.49Å; W502-W506 PolarHBondContact O-N 2.85Å
503	H	87.7	Confident	92.2	Very high	53 Å²	53	57.2 Å²	57.2	25%	0.245	29%	0.294	C	S	.	.	H	α-helix	trans	-43.3	-44.6	-173.1	63.2	-65.5	0	0	0	114.8	A498 L500 R501 D505 W506 Q507	A498-H503 VanDerWaalsContact O-CA 3.24Å; A498-H503 WeakPolarHBondContact O-CA 3.24Å; A498-H503 WeakPolarHBondContact O-CB 3.07Å; L500-H503 VanDerWaalsContact O-CB 3.29Å; L500-H503 WeakPolarHBondContact O-CB 3.42Å; L500-H503 PolarHBondContact O-N 2.87Å; L500-H503 PolarHBondContact O-ND1 2.7Å; R501-H503 PolarHBondContact O-N 3.44Å; R501-H503 PolarHBondContact O-ND1 3.16Å; H503-D505 VanDerWaalsContact C-N 3.34Å; H503-D505 PolarHBondContact O-N 2.76Å; H503-W506 PolarHBondContact O-N 3.13Å; H503-Q507 WeakPolarHBondContact O-CB 3.31Å; H503-Q507 VanDerWaalsContact O-CG 3.27Å; H503-Q507 WeakPolarHBondContact O-CG 3.47Å; H503-Q507 PolarHBondContact O-N 3.28Å
504	M	87.7	Confident	92.2	Very high	79 Å²	79	58 Å²	58	39%	0.389	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-39	178.6	-68.3	-168.2	-67.4	0	0	113.5	W502	W502-M504 VanDerWaalsContact C-N 3.25Å; W502-M504 PolarHBondContact O-N 3.08Å
505	D	90.5	Very high	92.3	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.053	31%	0.312	C	S	.	.	H	α-helix	trans	-80.7	-35.1	178.5	-69.6	-22.9	0	0	0	111	L150 R151 W502 H503 Q507 K508	L150-D505 HydrophobicContact CB-CB 4.4Å; L150-D505 HydrophobicContact CD2-CB 3.61Å; R151-D505 VanDerWaalsContact CB-OD2 3.24Å; R151-D505 WeakPolarHBondContact CB-OD2 3.25Å; R151-D505 VanDerWaalsContact CG-OD2 3.28Å; R151-D505 WeakPolarHBondContact CG-OD2 3.28Å; R151-D505 IonicContact CZ-OD1 3.41Å; R151-D505 IonicContact CZ-OD2 2.82Å; R151-D505 PolarHBondContact N-OD2 3.49Å; R151-D505 IonicContact NE-OD1 3.53Å; R151-D505 PolarHBondContact NE-OD1 3.24Å; R151-D505 IonicContact NE-OD2 2.76Å; R151-D505 PolarHBondContact NE-OD2 2.97Å; R151-D505 IonicContact NH2-OD1 3.51Å; R151-D505 PolarHBondContact NH2-OD1 3.08Å; R151-D505 IonicContact NH2-OD2 3.7Å; W502-D505 PolarHBondContact O-N 2.82Å; H503-D505 VanDerWaalsContact C-N 3.34Å; H503-D505 PolarHBondContact O-N 2.76Å; D505-Q507 VanDerWaalsContact C-N 3.31Å; D505-Q507 PolarHBondContact O-N 2.78Å; D505-K508 WeakPolarHBondContact O-CB 3.37Å; D505-K508 PolarHBondContact O-N 3.41Å; D505-K508 IonicContact OD1-NZ 2.78Å; D505-K508 PolarHBondContact OD1-NZ 2.88Å
506	W	92.6	Very high	92.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-43.1	176.2	-172.7	-83.1	0	0	0	112.1	F148 L150 I497 A498 W502 H503 K508 D509 I510 N513 E514 I517	F148-W506 HydrophobicContact CE1-CZ3 4.29Å; F148-W506 HydrophobicContact CZ-CZ3 4.46Å; L150-W506 HydrophobicContact CD1-CE3 3.51Å; L150-W506 HydrophobicContact CD1-CZ3 4.03Å; I497-W506 HydrophobicContact CB-CZ2 4.48Å; I497-W506 HydrophobicContact CD1-CH2 3.45Å; I497-W506 VanDerWaalsContact CD1-CH2 3.45Å; I497-W506 HydrophobicContact CD1-CZ2 4.03Å; I497-W506 HydrophobicContact CD1-CZ3 3.82Å; I497-W506 HydrophobicContact CG1-CE3 4.39Å; I497-W506 HydrophobicContact CG1-CH2 3.83Å; I497-W506 HydrophobicContact CG1-CZ2 4.08Å; I497-W506 HydrophobicContact CG1-CZ3 3.98Å; I497-W506 HydrophobicContact CG2-CH2 4.19Å; I497-W506 HydrophobicContact CG2-CZ2 3.61Å; A498-W506 VanDerWaalsContact CA-CD1 3.48Å; A498-W506 HydrophobicContact CB-CG 4.41Å; W502-W506 AromaticContact CD1-CE3 3.99Å; W502-W506 HydrophobicContact CZ2-CE3 4.49Å; W502-W506 HydrophobicContact CZ2-CZ3 4.41Å; W502-W506 AromaticContact NE1-CE3 3.49Å; W502-W506 PolarHBondContact O-N 2.85Å; H503-W506 PolarHBondContact O-N 3.13Å; W506-K508 PolarHBondContact O-N 2.82Å; W506-D509 PolarHBondContact O-N 3.5Å; W506-I510 PolarHBondContact O-N 3.44Å; W506-N513 HydrophobicContact CD2-CB 4.24Å; W506-N513 HydrophobicContact CE3-CB 4.13Å; W506-N513 HydrophobicContact CH2-CB 3.76Å; W506-N513 HydrophobicContact CZ2-CB 3.94Å; W506-N513 HydrophobicContact CZ3-CB 3.89Å; W506-N513 PolarHBondContact O-ND2 3.4Å; W506-E514 HydrophobicContact CZ2-CG 3.96Å; W506-I517 HydrophobicContact CH2-CD1 3.59Å; W506-I517 HydrophobicContact CZ3-CD1 4.12Å
507	Q	91	Very high	92.5	Very high	116 Å²	116	55 Å²	55	54%	0.542	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.9	-178.2	-73.8	174.9	1.6	0	0	114.5	H503 D505 D509	H503-Q507 WeakPolarHBondContact O-CB 3.31Å; H503-Q507 VanDerWaalsContact O-CG 3.27Å; H503-Q507 WeakPolarHBondContact O-CG 3.47Å; H503-Q507 PolarHBondContact O-N 3.28Å; D505-Q507 VanDerWaalsContact C-N 3.31Å; D505-Q507 PolarHBondContact O-N 2.78Å; Q507-D509 VanDerWaalsContact C-N 3.34Å
508	K	93.4	Very high	92.5	Very high	152 Å²	152	58.1 Å²	58.1	66%	0.661	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-34.9	179	-68	172.6	179.7	164.9	0	112.5	D505 W506	D505-K508 WeakPolarHBondContact O-CB 3.37Å; D505-K508 PolarHBondContact O-N 3.41Å; D505-K508 IonicContact OD1-NZ 2.78Å; D505-K508 PolarHBondContact OD1-NZ 2.88Å; W506-K508 PolarHBondContact O-N 2.82Å
509	D	94.9	Very high	92.7	Very high	88 Å²	88	60.4 Å²	60.4	47%	0.471	31%	0.306	S	S	.	.			trans	-155.9	76.9	178.3	-165.2	-18.1	0	0	0	110.9	W506 Q507 L511 A512 N513	W506-D509 PolarHBondContact O-N 3.5Å; Q507-D509 VanDerWaalsContact C-N 3.34Å; D509-L511 VanDerWaalsContact C-N 3.31Å; D509-L511 PolarHBondContact O-N 2.99Å; D509-A512 HydrophobicContact CB-CB 4.13Å; D509-A512 PolarHBondContact O-N 2.99Å; D509-A512 VanDerWaalsContact OD1-CB 3.28Å; D509-A512 WeakPolarHBondContact OD1-CB 3.43Å; D509-A512 PolarHBondContact OD1-N 3.13Å; D509-A512 VanDerWaalsContact OD2-CB 3.25Å; D509-A512 WeakPolarHBondContact OD2-CB 3.17Å; D509-N513 VanDerWaalsContact O-CG 3.26Å; D509-N513 PolarHBondContact O-N 3.18Å; D509-N513 VanDerWaalsContact O-N 3.13Å; D509-N513 PolarHBondContact O-ND2 3.24Å
510	I	94.4	Very high	93	Very high	72 Å²	72	56.6 Å²	56.6	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-44.7	-177	-62	171.5	0	0	0	110.7	W506 N513 E514	W506-I510 PolarHBondContact O-N 3.44Å; I510-N513 PolarHBondContact O-N 3.32Å; I510-E514 HydrophobicContact CG2-CG 4.39Å; I510-E514 PolarHBondContact O-N 2.88Å
511	L	94.4	Very high	93.1	Very high	135 Å²	135	57.5 Å²	57.5	71%	0.707	29%	0.289	S	S	*	.	H	α-helix	trans	-66	-41.2	-175.9	-66.5	176.2	0	0	0	111.9	D509 K515	D509-L511 VanDerWaalsContact C-N 3.31Å; D509-L511 PolarHBondContact O-N 2.99Å; L511-K515 WeakPolarHBondContact O-CB 3.21Å; L511-K515 PolarHBondContact O-N 3.04Å
512	A	95.8	Very high	93.2	Very high	44 Å²	44	61.8 Å²	61.8	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-66.7	-40.1	175.8	0	0	0	0	0	112	D509 K515 A516	D509-A512 HydrophobicContact CB-CB 4.13Å; D509-A512 PolarHBondContact O-N 2.99Å; D509-A512 VanDerWaalsContact OD1-CB 3.28Å; D509-A512 WeakPolarHBondContact OD1-CB 3.43Å; D509-A512 PolarHBondContact OD1-N 3.13Å; D509-A512 VanDerWaalsContact OD2-CB 3.25Å; D509-A512 WeakPolarHBondContact OD2-CB 3.17Å; A512-K515 PolarHBondContact O-N 3.4Å; A512-A516 WeakPolarHBondContact O-CB 3.32Å; A512-A516 PolarHBondContact O-N 2.94Å
513	N	95.8	Very high	93	Very high	16 Å²	16	67.3 Å²	67.3	9%	0.086	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-46.1	178.7	-70.5	-36.1	0	0	0	111.9	W506 D509 I510 A516 I517	W506-N513 HydrophobicContact CD2-CB 4.24Å; W506-N513 HydrophobicContact CE3-CB 4.13Å; W506-N513 HydrophobicContact CH2-CB 3.76Å; W506-N513 HydrophobicContact CZ2-CB 3.94Å; W506-N513 HydrophobicContact CZ3-CB 3.89Å; W506-N513 PolarHBondContact O-ND2 3.4Å; D509-N513 VanDerWaalsContact O-CG 3.26Å; D509-N513 PolarHBondContact O-N 3.18Å; D509-N513 VanDerWaalsContact O-N 3.13Å; D509-N513 PolarHBondContact O-ND2 3.24Å; I510-N513 PolarHBondContact O-N 3.32Å; N513-A516 PolarHBondContact O-N 3.07Å; N513-I517 PolarHBondContact O-N 3.24Å; N513-I517 VanDerWaalsContact O-N 3.13Å
514	E	94.9	Very high	91.6	Very high	38 Å²	38	70.4 Å²	70.4	18%	0.178	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-45	175.1	-72.7	-171	152.2	0	0	111.4	S494 W506 I510 A516 I517 D518	S494-E514 VanDerWaalsContact CB-OE1 3.24Å; S494-E514 WeakPolarHBondContact CB-OE1 3.25Å; S494-E514 PolarHBondContact OG-OE1 3.39Å; W506-E514 HydrophobicContact CZ2-CG 3.96Å; I510-E514 HydrophobicContact CG2-CG 4.39Å; I510-E514 PolarHBondContact O-N 2.88Å; E514-A516 VanDerWaalsContact C-N 3.27Å; E514-A516 PolarHBondContact O-N 3.24Å; E514-I517 WeakPolarHBondContact O-CB 3.44Å; E514-I517 PolarHBondContact O-N 2.92Å; E514-I517 VanDerWaalsContact O-N 3.08Å; E514-D518 PolarHBondContact O-N 2.87Å
515	K	95.5	Very high	89.9	Confident	151 Å²	151	74.5 Å²	74.5	66%	0.657	40%	0.4	S	S	*	.	H	α-helix	trans	-59.2	-38.3	175.7	-175.6	-179.7	179.8	-178	0	112.2	L511 A512 I517 D518 T519	L511-K515 WeakPolarHBondContact O-CB 3.21Å; L511-K515 PolarHBondContact O-N 3.04Å; A512-K515 PolarHBondContact O-N 3.4Å; K515-I517 VanDerWaalsContact C-N 3.34Å; K515-D518 PolarHBondContact O-N 2.74Å; K515-T519 VanDerWaalsContact O-CB 3.26Å; K515-T519 WeakPolarHBondContact O-CB 3.5Å; K515-T519 PolarHBondContact O-N 3.46Å; K515-T519 PolarHBondContact O-OG1 2.64Å
516	A	96.3	Very high	89.9	Confident	21 Å²	21	77.8 Å²	77.8	17%	0.174	42%	0.418	C	S	.	.	H	α-helix	trans	-64.5	-39.8	176.7	0	0	0	0	0	111.6	V146 F148 A512 N513 E514 W520	V146-A516 HydrophobicContact CG1-CB 3.9Å; F148-A516 HydrophobicContact CD1-CB 4.32Å; A512-A516 WeakPolarHBondContact O-CB 3.32Å; A512-A516 PolarHBondContact O-N 2.94Å; N513-A516 PolarHBondContact O-N 3.07Å; E514-A516 VanDerWaalsContact C-N 3.27Å; E514-A516 PolarHBondContact O-N 3.24Å; A516-W520 WeakPolarHBondContact O-CB 3.06Å; A516-W520 PolarHBondContact O-N 3.49Å
517	I	96.2	Very high	89.7	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	44%	0.44	C	S	.	.	H	α-helix	trans	-64.9	-48.7	174.6	-69.7	-178.4	0	0	0	111.2	V146 F148 F482 Y493 I497 W506 N513 E514 K515 T519 W520 L521	V146-I517 HydrophobicContact CG1-CG1 4.1Å; V146-I517 HydrophobicContact CG2-CG1 4.39Å; F148-I517 HydrophobicContact CD1-CG1 4.42Å; F148-I517 HydrophobicContact CE1-CD1 3.96Å; F148-I517 HydrophobicContact CE1-CG1 3.69Å; F482-I517 HydrophobicContact CD1-CG2 4.44Å; F482-I517 HydrophobicContact CE1-CG2 3.45Å; F482-I517 VanDerWaalsContact CE1-CG2 3.45Å; F482-I517 HydrophobicContact CZ-CD1 3.87Å; F482-I517 HydrophobicContact CZ-CG2 3.77Å; Y493-I517 VanDerWaalsContact OH-CD1 3.3Å; Y493-I517 WeakPolarHBondContact OH-CD1 3.27Å; I497-I517 HydrophobicContact CD1-CD1 3.5Å; I497-I517 VanDerWaalsContact CD1-CD1 3.5Å; W506-I517 HydrophobicContact CH2-CD1 3.59Å; W506-I517 HydrophobicContact CZ3-CD1 4.12Å; N513-I517 PolarHBondContact O-N 3.24Å; N513-I517 VanDerWaalsContact O-N 3.13Å; E514-I517 WeakPolarHBondContact O-CB 3.44Å; E514-I517 PolarHBondContact O-N 2.92Å; E514-I517 VanDerWaalsContact O-N 3.08Å; K515-I517 VanDerWaalsContact C-N 3.34Å; I517-T519 VanDerWaalsContact C-N 3.29Å; I517-T519 PolarHBondContact O-N 2.89Å; I517-W520 PolarHBondContact O-N 3.26Å; I517-W520 VanDerWaalsContact O-N 3.12Å; I517-L521 HydrophobicContact CG2-CD1 3.91Å; I517-L521 HydrophobicContact CG2-CG 4.36Å; I517-L521 WeakPolarHBondContact O-CG 3.34Å; I517-L521 PolarHBondContact O-N 2.79Å
518	D	95	Very high	89.7	Confident	66 Å²	66	79.9 Å²	79.9	35%	0.353	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-41.8	179.6	-72.8	-28.6	0	0	0	111.2	R486 E514 K515 W520 L521 H522	R486-D518 IonicContact NH1-OD1 3.7Å; R486-D518 PolarHBondContact NH1-OD1 3.03Å; E514-D518 PolarHBondContact O-N 2.87Å; K515-D518 PolarHBondContact O-N 2.74Å; D518-W520 VanDerWaalsContact C-N 3.34Å; D518-W520 PolarHBondContact O-N 3.29Å; D518-L521 PolarHBondContact O-N 3.39Å; D518-H522 WeakPolarHBondContact O-CB 3.24Å; D518-H522 PolarHBondContact O-CD2 3.47Å; D518-H522 PolarHBondContact O-N 3.22Å
519	T	95.4	Very high	89.4	Confident	61 Å²	61	75.7 Å²	75.7	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-58.2	-47.4	173.8	-58.8	0	0	0	0	110.7	K515 I517 H522 H523	K515-T519 VanDerWaalsContact O-CB 3.26Å; K515-T519 WeakPolarHBondContact O-CB 3.5Å; K515-T519 PolarHBondContact O-N 3.46Å; K515-T519 PolarHBondContact O-OG1 2.64Å; I517-T519 VanDerWaalsContact C-N 3.29Å; I517-T519 PolarHBondContact O-N 2.89Å; T519-H522 PolarHBondContact O-N 2.85Å; T519-H523 VanDerWaalsContact CG2-CE1 3.4Å; T519-H523 WeakPolarHBondContact CG2-CE1 3.24Å; T519-H523 WeakPolarHBondContact CG2-ND1 3.39Å; T519-H523 WeakPolarHBondContact O-CB 3.19Å; T519-H523 PolarHBondContact O-N 3.46Å; T519-H523 PolarHBondContact O-ND1 2.93Å
520	W	95.3	Very high	89.1	Confident	27 Å²	27	74.9 Å²	74.9	10%	0.102	42%	0.417	C	S	.	.	H	α-helix	trans	-64.6	-40.6	179.6	167.2	76.5	0	0	0	113.1	W142 V146 N478 K479 F482 A516 I517 D518	W142-W520 WeakPolarHBondContact O-CH2 3.24Å; W142-W520 WeakPolarHBondContact O-CZ2 3.29Å; V146-W520 HydrophobicContact CG1-CB 4.33Å; V146-W520 HydrophobicContact CG2-CB 4.08Å; V146-W520 HydrophobicContact CG2-CD2 3.51Å; V146-W520 HydrophobicContact CG2-CE3 3.57Å; V146-W520 HydrophobicContact CG2-CG 3.74Å; V146-W520 HydrophobicContact CG2-CZ3 4.16Å; N478-W520 HydrophobicContact CB-CZ2 4.46Å; K479-W520 HydrophobicContact CB-CH2 4.43Å; K479-W520 HydrophobicContact CB-CZ2 4.37Å; K479-W520 WeakPolarHBondContact CE-O 3.47Å; K479-W520 HydrophobicContact CG-CD2 4.42Å; K479-W520 HydrophobicContact CG-CH2 3.86Å; K479-W520 HydrophobicContact CG-CZ2 3.42Å; K479-W520 VanDerWaalsContact CG-CZ2 3.42Å; K479-W520 PolarHBondContact NZ-O 2.64Å; F482-W520 HydrophobicContact CB-CH2 4.01Å; F482-W520 HydrophobicContact CB-CZ3 4.07Å; F482-W520 AromaticContact CD1-CZ3 3.78Å; F482-W520 HydrophobicContact CD1-CZ3 3.78Å; F482-W520 HydrophobicContact CE1-CZ3 4.43Å; F482-W520 HydrophobicContact CG-CH2 4.28Å; F482-W520 AromaticContact CG-CZ3 3.9Å; F482-W520 HydrophobicContact CG-CZ3 3.9Å; A516-W520 WeakPolarHBondContact O-CB 3.06Å; A516-W520 PolarHBondContact O-N 3.49Å; I517-W520 PolarHBondContact O-N 3.26Å; I517-W520 VanDerWaalsContact O-N 3.12Å; D518-W520 VanDerWaalsContact C-N 3.34Å; D518-W520 PolarHBondContact O-N 3.29Å
521	L	94.4	Very high	88.7	Confident	28 Å²	28	75.1 Å²	75.1	15%	0.147	42%	0.421	C	S	.	.	H	α-helix	trans	-67.6	-38.6	178.4	-76	173.7	0	0	0	112.5	F482 A483 R486 I517 D518	F482-L521 HydrophobicContact CD1-CD1 4.04Å; F482-L521 HydrophobicContact CD1-CD2 4.11Å; F482-L521 HydrophobicContact CD1-CG 4.44Å; F482-L521 HydrophobicContact CE1-CD1 4.01Å; A483-L521 HydrophobicContact CB-CD2 4.36Å; R486-L521 VanDerWaalsContact NH1-CD1 3.3Å; I517-L521 HydrophobicContact CG2-CD1 3.91Å; I517-L521 HydrophobicContact CG2-CG 4.36Å; I517-L521 WeakPolarHBondContact O-CG 3.34Å; I517-L521 PolarHBondContact O-N 2.79Å; D518-L521 PolarHBondContact O-N 3.39Å
522	H	88.9	Confident	88.3	Confident	137 Å²	137	70.9 Å²	70.9	63%	0.634	40%	0.4	S	S	*	.	H	α-helix	trans	-91.8	-15.5	-175.1	-65.1	-53.5	0	0	0	114.7	D518 T519 S524	D518-H522 WeakPolarHBondContact O-CB 3.24Å; D518-H522 PolarHBondContact O-CD2 3.47Å; D518-H522 PolarHBondContact O-N 3.22Å; T519-H522 PolarHBondContact O-N 2.85Å; H522-S524 PolarHBondContact O-N 3.27Å
523	H	83.7	Confident	87.8	Confident	120 Å²	120	72.9 Å²	72.9	56%	0.556	40%	0.403	S	S	*	.	S	Bend	trans	-72.1	120.7	168.5	-83.9	73.3	0	0	0	109.9	K479 T519 S525	K479-H523 PolarHBondContact NZ-O 3.23Å; T519-H523 VanDerWaalsContact CG2-CE1 3.4Å; T519-H523 WeakPolarHBondContact CG2-CE1 3.24Å; T519-H523 WeakPolarHBondContact CG2-ND1 3.39Å; T519-H523 WeakPolarHBondContact O-CB 3.19Å; T519-H523 PolarHBondContact O-N 3.46Å; T519-H523 PolarHBondContact O-ND1 2.93Å; H523-S525 PolarHBondContact O-N 3.01Å
524	S	58.3	Low	87.1	Confident	118 Å²	118	77.7 Å²	77.7	83%	0.825	43%	0.429	S	S	*	.			trans	-61.2	122.2	160.7	-47.3	0	0	0	0	107.5	H522	H522-S524 PolarHBondContact O-N 3.27Å
525	S	51.3	Low	86.4	Confident	165 Å²	165	81.3 Å²	81.3	100%	1.154	45%	0.452	S	S	*	.			trans	-58.8	0	176.4	50.5	0	0	0	0	111.7	H523	H523-S525 PolarHBondContact O-N 3.01Å

Retrieved 525 of 525 residues in 1062.3 ms (Link to these results)

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