A0A060CZ20_HUMAN Loading...

Lymphocyte antigen

AlphaFold DB , UniProt , Accession A0A060CZ20, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 365 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	41.9	Very low	252 Å²	252	153.8 Å²	153.8	100%	1.241	85%	0.852	S	S	*	*				0	96.9	0	-89.8	176.3	-92.6	0	0	107.7
2	A	31.6	Very low	42.1	Very low	102 Å²	102	154.8 Å²	154.8	84%	0.843	85%	0.854	S	S	*	*			trans	-116.3	121.5	172.8	0	0	0	0	0	106.8
3	V	32.6	Very low	41.9	Very low	149 Å²	149	153.1 Å²	153.1	90%	0.903	84%	0.841	S	S	*	*			trans	-67.2	133.8	-176.9	175.4	0	0	0	0	109.2
4	M	38.7	Very low	41.9	Very low	177 Å²	177	146.6 Å²	146.6	87%	0.872	81%	0.812	S	S	*	*			trans	-116.8	142.9	172.2	-159.4	-174.7	-41.9	0	0	109.1
5	A	37.4	Very low	41.9	Very low	87 Å²	87	139.4 Å²	139.4	72%	0.719	79%	0.785	S	S	*	*			trans	105	151.3	167	0	0	0	0	0	116.5
6	P	44.6	Very low	41.9	Very low	105 Å²	105	134.1 Å²	134.1	68%	0.682	76%	0.764	S	S	*	*			cis	-128.6	147.5	-23.9	25.1	-4.4	0	0	0	113.6	T8	P6-T8 PolarHBondContact O-N 3.37Å
7	R	47.5	Very low	41.7	Very low	261 Å²	261	132.8 Å²	132.8	99%	0.985	75%	0.754	S	S	*	*			trans	-83.8	95.6	161	-82	179.6	166.5	151.5	-4.2	108.5
8	T	50.4	Low	41.6	Very low	115 Å²	115	128.6 Å²	128.6	71%	0.706	74%	0.737	S	S	*	*			trans	-128.1	84.8	167.7	36.4	0	0	0	0	108.6	P6	P6-T8 PolarHBondContact O-N 3.37Å
9	L	48.4	Very low	41.5	Very low	171 Å²	171	126.4 Å²	126.4	90%	0.895	72%	0.723	S	S	*	*			trans	-163.5	51.6	170.6	-125.9	137.3	0	0	0	112.9
10	V	47.2	Very low	41.4	Very low	120 Å²	120	124.1 Å²	124.1	73%	0.727	71%	0.711	S	S	*	*			trans	-149.8	58.2	168	-164.3	0	0	0	0	111.5
11	L	45.1	Very low	41.3	Very low	153 Å²	153	126 Å²	126	80%	0.801	71%	0.714	S	S	*	*	S	Bend	trans	-131.9	-10.6	173.5	-87.5	166	0	0	0	115.4
12	L	44.9	Very low	41.7	Very low	166 Å²	166	118.6 Å²	118.6	87%	0.869	68%	0.683	S	S	*	*	H	α-helix	trans	-90.2	-26.1	-179.4	-72.6	164.8	0	0	0	113.9
13	L	39.8	Very low	42.5	Very low	132 Å²	132	116.7 Å²	116.7	69%	0.691	65%	0.654	S	S	*	*	H	α-helix	trans	-78.1	-23.7	177.6	-78.4	156.3	0	0	0	113	L17	L13-L17 PolarHBondContact O-N 3.4Å
14	S	41.4	Very low	43.7	Very low	62 Å²	62	112.6 Å²	112.6	43%	0.434	64%	0.635	S	S	.	*	H	α-helix	trans	-72.6	-32.2	-178.4	-36.5	0	0	0	0	112.6	A18	S14-A18 VanDerWaalsContact O-CB 3.23Å; S14-A18 WeakPolarHBondContact O-CB 3.4Å; S14-A18 PolarHBondContact O-N 2.93Å
15	G	41.4	Very low	45.4	Very low	39 Å²	39	105.2 Å²	105.2	40%	0.402	61%	0.605	S	S	.	*	H	α-helix	trans	-70.7	-42	178.2	0	0	0	0	0	112.8	L19	G15-L19 PolarHBondContact O-N 3.46Å
16	A	41.8	Very low	47.9	Very low	55 Å²	55	104.1 Å²	104.1	46%	0.455	59%	0.592	S	S	.	*	H	α-helix	trans	-67.7	-41.2	177.1	0	0	0	0	0	112.1	T20	A16-T20 WeakPolarHBondContact O-CG2 3.45Å; A16-T20 PolarHBondContact O-N 3.46Å; A16-T20 VanDerWaalsContact O-N 3.12Å; A16-T20 PolarHBondContact O-OG1 3.41Å
17	L	38.6	Very low	50.3	Low	112 Å²	112	100.2 Å²	100.2	59%	0.586	57%	0.565	S	S	*	*	H	α-helix	trans	-68.7	-39.3	177.6	-79.9	161.9	0	0	0	112.6	L13 L19 T20 Q21	L13-L17 PolarHBondContact O-N 3.4Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 3.13Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 2.99Å; L17-T20 PolarHBondContact O-OG1 3.32Å; L17-Q21 WeakPolarHBondContact O-CB 3.35Å; L17-Q21 PolarHBondContact O-N 3.47Å; L17-Q21 VanDerWaalsContact O-N 3.15Å
18	A	40	Very low	52.7	Low	56 Å²	56	88.9 Å²	88.9	46%	0.463	53%	0.526	S	S	.	.	H	α-helix	trans	-65.3	-35	178.4	0	0	0	0	0	113	S14 T22	S14-A18 VanDerWaalsContact O-CB 3.23Å; S14-A18 WeakPolarHBondContact O-CB 3.4Å; S14-A18 PolarHBondContact O-N 2.93Å; A18-T22 PolarHBondContact O-OG1 2.88Å
19	L	40.5	Very low	55	Low	88 Å²	88	83.4 Å²	83.4	46%	0.461	49%	0.492	S	S	.	.	H	α-helix	trans	-72.9	-42.3	174.3	-88.5	148.8	0	0	0	111.8	G15 L17 Q21 T22 W23	G15-L19 PolarHBondContact O-N 3.46Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 3.13Å; L19-Q21 PolarHBondContact O-N 2.96Å; L19-T22 PolarHBondContact O-N 3.44Å; L19-T22 PolarHBondContact O-OG1 3.3Å; L19-W23 HydrophobicContact CD2-CZ2 4.48Å; L19-W23 PolarHBondContact O-NE1 2.88Å
20	T	39.5	Very low	57.4	Low	80 Å²	80	77.5 Å²	77.5	49%	0.491	46%	0.458	S	S	.	.	H	α-helix	trans	-63.4	-27.1	177.1	53.3	0	0	0	0	113.9	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.45Å; A16-T20 PolarHBondContact O-N 3.46Å; A16-T20 VanDerWaalsContact O-N 3.12Å; A16-T20 PolarHBondContact O-OG1 3.41Å; L17-T20 WeakPolarHBondContact CA-OG1 3.35Å; L17-T20 PolarHBondContact O-N 2.99Å; L17-T20 PolarHBondContact O-OG1 3.32Å
21	Q	38.9	Very low	59.8	Low	165 Å²	165	72.2 Å²	72.2	77%	0.771	43%	0.425	S	S	*	.	H	α-helix	trans	-85.6	-13.1	-175.8	-148.6	170.2	22	0	0	113.5	L17 L19	L17-Q21 WeakPolarHBondContact O-CB 3.35Å; L17-Q21 PolarHBondContact O-N 3.47Å; L17-Q21 VanDerWaalsContact O-N 3.15Å; L19-Q21 PolarHBondContact O-N 2.96Å
22	T	45.6	Very low	62.4	Low	96 Å²	96	69 Å²	69	59%	0.589	41%	0.405	S	S	*	.	H	α-helix	trans	-93	-10.5	-177.3	41.2	0	0	0	0	114.1	A18 L19	A18-T22 PolarHBondContact O-OG1 2.88Å; L19-T22 PolarHBondContact O-N 3.44Å; L19-T22 PolarHBondContact O-OG1 3.3Å
23	W	48.4	Very low	64.9	Low	62 Å²	62	61.4 Å²	61.4	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-103	-29.9	-167.7	-69.1	46.5	0	0	0	113.3	L19 G25 E236	L19-W23 HydrophobicContact CD2-CZ2 4.48Å; L19-W23 PolarHBondContact O-NE1 2.88Å; W23-G25 PolarHBondContact O-N 3.41Å; W23-G25 VanDerWaalsContact O-N 3.11Å; W23-E236 HydrophobicContact CD2-CG 4.37Å; W23-E236 HydrophobicContact CE3-CB 4.06Å; W23-E236 HydrophobicContact CE3-CG 3.76Å; W23-E236 HydrophobicContact CH2-CB 4.24Å; W23-E236 HydrophobicContact CH2-CG 3.44Å; W23-E236 VanDerWaalsContact CH2-CG 3.44Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.46Å; W23-E236 HydrophobicContact CZ2-CG 4.05Å; W23-E236 HydrophobicContact CZ3-CB 3.64Å; W23-E236 HydrophobicContact CZ3-CG 3.3Å
24	A	56.8	Low	67.8	Low	62 Å²	62	57.1 Å²	57.1	51%	0.512	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	105	-176.8	0	0	0	0	0	111.5
25	G	75	Confident	70.5	Confident	23 Å²	23	54.2 Å²	54.2	24%	0.237	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	13.3	160.3	0	0	0	0	0	117.8	W23 G128 S129	W23-G25 PolarHBondContact O-N 3.41Å; W23-G25 VanDerWaalsContact O-N 3.11Å; G25-G128 CarbonylContact O-C 3.56Å; G25-S129 WeakPolarHBondContact O-CA 3.49Å; G25-S129 PolarHBondContact O-N 3.17Å
26	S	90.5	Very high	73.2	Confident	64 Å²	64	54.7 Å²	54.7	45%	0.448	32%	0.319	S	S	.	.			trans	-82.7	144.1	163.5	61.4	0	0	0	0	110.4	V127	S26-V127 CarbonylContact C-O 3.59Å; S26-V127 VanDerWaalsContact CA-O 3.29Å; S26-V127 WeakPolarHBondContact CA-O 3.45Å; S26-V127 WeakPolarHBondContact CB-O 3.39Å
27	H	95	Very high	75.8	Confident	23 Å²	23	52.9 Å²	52.9	11%	0.106	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.4	176.7	-64.7	-79.8	0	0	0	111.2	D53 D126 V127 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.3Å; H27-D53 IonicContact CE1-OD2 2.73Å; H27-D53 IonicContact CG-OD2 3.43Å; H27-D53 IonicContact ND1-OD1 2.77Å; H27-D53 IonicContact ND1-OD2 3.57Å; H27-D53 PolarHBondContact ND1-OD2 3.41Å; H27-D126 CarbonylContact O-C 3.44Å; H27-D126 WeakPolarHBondContact O-CA 3.4Å; H27-V127 HydrophobicContact CB-CG2 3.93Å; H27-V127 PolarHBondContact N-O 3.42Å; H27-V127 PolarHBondContact O-N 2.91Å; H27-L196 HydrophobicContact CB-CD1 3.46Å; H27-L196 VanDerWaalsContact CB-CD1 3.46Å; H27-L196 HydrophobicContact CB-CD2 4.22Å; H27-L196 HydrophobicContact CB-CG 4.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.29Å
28	S	97.3	Very high	78.6	Confident	23 Å²	23	50.9 Å²	50.9	16%	0.161	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.8	179.4	67.4	0	0	0	0	112.4	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.33Å; S28-D53 PolarHBondContact N-OD1 2.87Å; S28-D53 PolarHBondContact O-N 3.01Å; S28-C125 WeakPolarHBondContact CA-O 3.32Å; S28-D126 WeakPolarHBondContact CB-OD1 3.25Å
29	M	98.5	Very high	81	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.6	165.8	-173.9	172.2	57.5	0	0	108.6	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.08Å; M29-Y31 HydrophobicContact CG-CE2 3.99Å; M29-Y31 HydrophobicContact SD-CE2 3.86Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; M29-V52 HydrophobicContact CG-CG2 4.45Å; M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.35Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.29Å; M29-C125 PolarHBondContact N-O 3.3Å; M29-C125 PolarHBondContact O-N 3.27Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 VanDerWaalsContact CE-O 3.26Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.24Å; M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.35Å; M29-L192 HydrophobicContact CB-CB 4.14Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.18Å; M29-L192 HydrophobicContact CB-CG 4.33Å; M29-Y195 HydrophobicContact SD-CD2 3.78Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.6	Very high	83.3	Confident	47 Å²	47	51 Å²	51	18%	0.177	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.7	-178.1	-56.3	-63.4	180	75.1	5.8	111.3	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-G50 CarbonylContact O-C 3.59Å; R30-G50 WeakPolarHBondContact O-CA 3.44Å; R30-Y51 PolarHBondContact N-O 2.96Å; R30-Y51 PolarHBondContact O-N 2.75Å; R30-D126 IonicContact CZ-OD1 2.97Å; R30-D126 IonicContact NE-OD1 3.4Å; R30-D126 PolarHBondContact NE-OD1 3.31Å; R30-D126 VanDerWaalsContact NH2-CG 3.26Å; R30-D126 IonicContact NH2-OD1 2.7Å; R30-D126 PolarHBondContact NH2-OD1 2.97Å; R30-D126 IonicContact NH2-OD2 3.22Å; R30-D126 PolarHBondContact NH2-OD2 2.84Å; R30-Y137 VanDerWaalsContact CZ-CE2 3.45Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.25Å; R30-Y137 PolarHBondContact NH2-OH 2.97Å
31	Y	98.8	Very high	85.7	Confident	8 Å²	8	57.2 Å²	57.2	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.2	170.7	-68	-88.4	0	0	0	110	M29 F33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.08Å; M29-Y31 HydrophobicContact CG-CE2 3.99Å; M29-Y31 HydrophobicContact SD-CE2 3.86Å; Y31-F33 HydrophobicContact CD1-CE1 4.36Å; Y31-V49 CarbonylContact C-O 3.6Å; Y31-V49 WeakPolarHBondContact CA-O 3.19Å; Y31-F57 AromaticContact CE1-CZ 3.9Å; Y31-F57 HydrophobicContact CE1-CZ 3.9Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.35Å; Y31-V58 HydrophobicContact CE1-CG2 3.96Å; Y31-M122 WeakPolarHBondContact O-CA 3.36Å; Y31-Y123 HydrophobicContact CD2-CD2 4.43Å; Y31-Y123 AromaticContact CD2-CE2 3.66Å; Y31-Y123 HydrophobicContact CD2-CE2 3.66Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 HydrophobicContact CE2-CE2 4.39Å; Y31-Y123 HydrophobicContact CG-CE1 4.26Å; Y31-Y123 HydrophobicContact CG-CE2 4.2Å; Y31-Y123 AromaticContact CG-CZ 3.77Å; Y31-Y123 PolarHBondContact N-O 2.83Å; Y31-Y123 PolarHBondContact O-N 3.19Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.8	Very high	88.2	Confident	86 Å²	86	52.2 Å²	52.2	38%	0.377	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.9	178.4	-57.4	-96.7	0	0	0	109.5	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; F32-A48 WeakPolarHBondContact O-CA 3.46Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.5Å; F32-V49 PolarHBondContact O-N 3.37Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; F32-R121 WeakPolarHBondContact CA-O 3.45Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.43Å; F32-M122 HydrophobicContact CZ-CG 3.95Å
33	F	98.8	Very high	90.5	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.2	177.9	-57.5	-14.3	0	0	0	109.3	Y31 F46 I47 A48 H94 H98 Q120 R121 Y123	Y31-F33 HydrophobicContact CD1-CE1 4.36Å; F33-F46 HydrophobicContact CB-CE2 3.89Å; F33-F46 HydrophobicContact CB-CZ 3.8Å; F33-F46 HydrophobicContact CD1-CZ 4.36Å; F33-F46 HydrophobicContact CD2-CE2 4.5Å; F33-F46 AromaticContact CD2-CZ 3.95Å; F33-F46 HydrophobicContact CD2-CZ 3.95Å; F33-F46 HydrophobicContact CG-CE2 4.34Å; F33-F46 AromaticContact CG-CZ 3.79Å; F33-F46 HydrophobicContact CG-CZ 3.79Å; F33-I47 CarbonylContact C-O 3.59Å; F33-I47 WeakPolarHBondContact CA-O 3.44Å; F33-A48 HydrophobicContact CD1-CB 3.27Å; F33-A48 HydrophobicContact CE1-CB 3.49Å; F33-A48 VanDerWaalsContact CE1-CB 3.49Å; F33-A48 HydrophobicContact CG-CB 4.19Å; F33-H94 HydrophobicContact CD2-CB 4.17Å; F33-H94 HydrophobicContact CE2-CB 3.88Å; F33-H94 AromaticContact CE2-CD2 3.5Å; F33-H94 VanDerWaalsContact CE2-CD2 3.5Å; F33-H94 WeakPolarHBondContact CE2-CD2 3.33Å; F33-H94 AromaticContact CE2-CG 3.65Å; F33-H98 AromaticContact CD2-NE2 3.93Å; F33-Q120 CarbonylContact O-C 3.59Å; F33-Q120 VanDerWaalsContact O-CA 3.26Å; F33-Q120 WeakPolarHBondContact O-CA 3.44Å; F33-R121 HydrophobicContact CB-CB 4.32Å; F33-R121 PolarHBondContact N-O 2.91Å; F33-R121 PolarHBondContact O-N 3.42Å; F33-Y123 HydrophobicContact CD2-CE1 4.25Å; F33-Y123 HydrophobicContact CE1-CE1 4.16Å; F33-Y123 AromaticContact CE2-CE1 3.55Å; F33-Y123 HydrophobicContact CE2-CE1 3.55Å; F33-Y123 AromaticContact CZ-CE1 3.5Å; F33-Y123 HydrophobicContact CZ-CE1 3.5Å; F33-Y123 AromaticContact CZ-CZ 3.9Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.37Å
34	T	98.8	Very high	92.8	Very high	43 Å²	43	50.9 Å²	50.9	26%	0.264	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.5	176.7	-58.1	0	0	0	0	109	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 4.11Å; T34-F46 WeakPolarHBondContact O-CA 3.31Å; T34-I47 PolarHBondContact N-O 3.45Å; T34-I47 PolarHBondContact O-N 3.37Å; T34-T118 HydrophobicContact CG2-CG2 3.91Å; T34-Q120 HydrophobicContact CG2-CG 4.02Å
35	S	98.6	Very high	94.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.8	173.5	-164.7	0	0	0	0	109.5	R45 L102 T118 V119	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.27Å; S35-L102 VanDerWaalsContact OG-CD1 3.29Å; S35-L102 WeakPolarHBondContact OG-CD1 3.28Å; S35-T118 CarbonylContact O-C 3.55Å; S35-T118 VanDerWaalsContact O-CA 3.31Å; S35-T118 WeakPolarHBondContact O-CA 3.3Å; S35-V119 PolarHBondContact N-O 2.83Å; S35-V119 PolarHBondContact O-N 2.98Å
36	V	98.4	Very high	95.9	Very high	49 Å²	49	51.1 Å²	51.1	30%	0.297	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.8	179.7	-174.1	0	0	0	0	108.6	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.11Å; V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.27Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; V36-R45 PolarHBondContact N-O 3.38Å; V36-R45 PolarHBondContact O-N 3.46Å; V36-H117 WeakPolarHBondContact CA-O 3.39Å; V36-T118 HydrophobicContact CG2-CG2 4.15Å
37	S	97.4	Very high	96.3	Very high	17 Å²	17	50 Å²	50	12%	0.119	27%	0.273	C	S	.	.			trans	-67.2	148.2	174.9	71.5	0	0	0	0	110.7	S116 H117	S37-S116 PolarHBondContact O-OG 2.92Å; S37-H117 PolarHBondContact N-O 3.41Å; S37-H117 PolarHBondContact OG-N 3.34Å; S37-H117 PolarHBondContact OG-O 3.48Å
38	R	95.8	Very high	96.5	Very high	70 Å²	70	48.9 Å²	48.9	26%	0.264	27%	0.268	S	S	.	.			trans	-132.8	73	-177.2	-59.8	-176.2	-75.4	-162	-10.8	110.5	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.88Å; R38-R41 HydrophobicContact CB-CB 4.05Å; R38-R41 PolarHBondContact O-N 3.28Å; R38-E43 VanDerWaalsContact CZ-O 3.24Å; R38-E43 PolarHBondContact NE-O 3.42Å; R38-E43 PolarHBondContact NH2-O 2.87Å; R38-D63 IonicContact CZ-OD1 3.4Å; R38-D63 IonicContact CZ-OD2 3.75Å; R38-D63 IonicContact NH1-OD1 2.84Å; R38-D63 PolarHBondContact NH1-OD1 2.93Å; R38-D63 IonicContact NH1-OD2 3.72Å; R38-D63 PolarHBondContact NH1-OD2 2.91Å; R38-D63 IonicContact NH2-OD1 3.54Å; R38-D63 PolarHBondContact NH2-OD1 3.26Å; R38-D63 IonicContact NH2-OD2 3.64Å
39	P	90.8	Very high	96.6	Very high	54 Å²	54	48.9 Å²	48.9	35%	0.351	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	126.5	-177.3	-26.7	34.2	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.89Å; P39-E113 WeakPolarHBondContact CB-O 3.4Å; P39-E113 WeakPolarHBondContact CG-O 3.46Å; P39-G115 WeakPolarHBondContact CG-O 3.45Å
40	G	88.9	Confident	96.6	Very high	91 Å²	91	48.9 Å²	48.9	94%	0.938	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	5.6	-178.9	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 2.88Å
41	R	91.1	Very high	96.6	Very high	212 Å²	212	50 Å²	50	80%	0.8	27%	0.272	S	S	*	.	S	Bend	trans	-126	22.9	-178.8	-59.1	-178.2	-179.2	-176.7	0.2	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.05Å; R38-R41 PolarHBondContact O-N 3.28Å; P39-R41 PolarHBondContact O-N 2.89Å
42	G	90.9	Very high	96.5	Very high	60 Å²	60	49.6 Å²	49.6	62%	0.619	27%	0.27	S	S	*	.	S	Bend	trans	95.9	-158.1	176.9	0	0	0	0	0	114.1
43	E	93.8	Very high	96.3	Very high	107 Å²	107	46.9 Å²	46.9	50%	0.5	26%	0.259	S	S	.	.	S	Bend	trans	-66	152.6	-178.2	-67	-66.7	153.8	0	0	112	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.24Å; R38-E43 PolarHBondContact NE-O 3.42Å; R38-E43 PolarHBondContact NH2-O 2.87Å; E43-R45 PolarHBondContact O-N 3.28Å; E43-R99 IonicContact OE1-NH1 2.72Å; E43-R99 PolarHBondContact OE1-NH1 2.64Å; E43-R99 WeakPolarHBondContact OE2-CD 3.03Å; E43-R99 IonicContact OE2-CZ 2.75Å; E43-R99 IonicContact OE2-NE 3.82Å; E43-R99 IonicContact OE2-NH1 3.53Å; E43-R99 PolarHBondContact OE2-NH1 2.92Å
44	P	96.7	Very high	96.1	Very high	22 Å²	22	49.7 Å²	49.7	14%	0.143	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-53.2	140.2	172.1	-25.5	35.3	0	0	0	112	V36 R99 L102	V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.27Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; P44-R99 HydrophobicContact CG-CG 4.21Å; P44-L102 HydrophobicContact CB-CD1 3.59Å; P44-L102 HydrophobicContact CG-CD1 3.67Å
45	R	98	Very high	95.9	Very high	90 Å²	90	48.7 Å²	48.7	34%	0.34	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.4	171.4	-172.4	176.2	178.6	-175.5	-1.7	108.5	S35 V36 E43 I47 D61 D63	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.27Å; V36-R45 PolarHBondContact N-O 3.38Å; V36-R45 PolarHBondContact O-N 3.46Å; E43-R45 PolarHBondContact O-N 3.28Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; R45-D61 IonicContact CZ-OD1 3.17Å; R45-D61 IonicContact CZ-OD2 3.6Å; R45-D61 IonicContact NE-OD1 2.71Å; R45-D61 PolarHBondContact NE-OD1 3.38Å; R45-D61 IonicContact NE-OD2 3.31Å; R45-D61 IonicContact NH2-OD1 3.58Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 3.47Å; R45-D63 VanDerWaalsContact CD-OD2 3.31Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 IonicContact NE-OD2 3.73Å
46	F	98.6	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.3	177	-178.4	-92.2	0	0	0	110.5	F33 T34 A48 F60 S62 V91 H94 S95 H98	F33-F46 HydrophobicContact CB-CE2 3.89Å; F33-F46 HydrophobicContact CB-CZ 3.8Å; F33-F46 HydrophobicContact CD1-CZ 4.36Å; F33-F46 HydrophobicContact CD2-CE2 4.5Å; F33-F46 AromaticContact CD2-CZ 3.95Å; F33-F46 HydrophobicContact CD2-CZ 3.95Å; F33-F46 HydrophobicContact CG-CE2 4.34Å; F33-F46 AromaticContact CG-CZ 3.79Å; F33-F46 HydrophobicContact CG-CZ 3.79Å; T34-F46 WeakPolarHBondContact O-CA 3.31Å; F46-A48 HydrophobicContact CE1-CB 3.79Å; F46-A48 HydrophobicContact CZ-CB 4.22Å; F46-F60 AromaticContact CD1-CD1 3.83Å; F46-F60 HydrophobicContact CD1-CD1 3.83Å; F46-F60 AromaticContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 4.19Å; F46-S62 PolarHBondContact N-OG 2.94Å; F46-S62 PolarHBondContact O-N 3.03Å; F46-S62 PolarHBondContact O-OG 3.41Å; F46-V91 HydrophobicContact CE1-CG2 3.72Å; F46-H94 HydrophobicContact CZ-CB 4.17Å; F46-S95 WeakPolarHBondContact CB-OG 3.43Å; F46-H98 HydrophobicContact CD2-CB 4.04Å; F46-H98 HydrophobicContact CE2-CB 4.04Å; F46-H98 AromaticContact CE2-CD2 3.89Å; F46-H98 AromaticContact CE2-CG 3.66Å; F46-H98 AromaticContact CE2-ND1 3.79Å
47	I	98.8	Very high	95.9	Very high	40 Å²	40	48.7 Å²	48.7	21%	0.205	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.3	175.8	-58.5	174	0	0	0	107.8	F33 T34 R45 V49 F60	F33-I47 CarbonylContact C-O 3.59Å; F33-I47 WeakPolarHBondContact CA-O 3.44Å; T34-I47 PolarHBondContact N-O 3.45Å; T34-I47 PolarHBondContact O-N 3.37Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; I47-V49 HydrophobicContact CG2-CG1 4.37Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å
48	A	98.8	Very high	95.9	Very high	1 Å²	1	48 Å²	48	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.4	171.4	0	0	0	0	0	110.1	F32 F33 F46 R59 F60 V91	F32-A48 WeakPolarHBondContact O-CA 3.46Å; F33-A48 HydrophobicContact CD1-CB 3.27Å; F33-A48 HydrophobicContact CE1-CB 3.49Å; F33-A48 VanDerWaalsContact CE1-CB 3.49Å; F33-A48 HydrophobicContact CG-CB 4.19Å; F46-A48 HydrophobicContact CE1-CB 3.79Å; F46-A48 HydrophobicContact CZ-CB 4.22Å; A48-R59 CarbonylContact O-C 3.49Å; A48-R59 WeakPolarHBondContact O-CA 3.42Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.98Å; A48-F60 PolarHBondContact O-N 3.43Å; A48-V91 HydrophobicContact CB-CG2 3.64Å
49	V	98.9	Very high	96	Very high	23 Å²	23	47.9 Å²	47.9	14%	0.139	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.1	174.6	-63.1	0	0	0	0	109.8	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.6Å; Y31-V49 WeakPolarHBondContact CA-O 3.19Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.5Å; F32-V49 PolarHBondContact O-N 3.37Å; I47-V49 HydrophobicContact CG2-CG1 4.37Å; V49-Y51 HydrophobicContact CB-CE2 4.05Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.78Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.5Å; V49-R59 HydrophobicContact CG1-CB 4.5Å; V49-R59 HydrophobicContact CG1-CG 4.21Å
50	G	98.7	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.5	176	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.59Å; R30-G50 WeakPolarHBondContact O-CA 3.44Å; G50-Q56 WeakPolarHBondContact O-CA 3.43Å; G50-Q56 WeakPolarHBondContact O-CG 3.32Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 3.49Å; G50-V58 PolarHBondContact N-O 2.88Å; G50-V58 VanDerWaalsContact N-O 3.09Å; G50-V58 PolarHBondContact O-N 3.43Å
51	Y	98.5	Very high	96.9	Very high	70 Å²	70	42.2 Å²	42.2	28%	0.275	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.9	178.5	-74.1	-101.6	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; R30-Y51 PolarHBondContact N-O 2.96Å; R30-Y51 PolarHBondContact O-N 2.75Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; V49-Y51 HydrophobicContact CB-CE2 4.05Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.78Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.43Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.18Å; Y51-Q56 HydrophobicContact CE2-CG 3.94Å; Y51-Q56 HydrophobicContact CG-CB 4.5Å
52	V	97.9	Very high	97.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.8	156.7	176.7	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.33Å; M29-V52 HydrophobicContact CG-CG2 4.45Å; V52-D54 PolarHBondContact O-N 2.92Å; V52-T55 PolarHBondContact N-O 2.92Å; V52-T55 WeakPolarHBondContact O-CB 2.96Å; V52-T55 PolarHBondContact O-N 2.94Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.96Å; V52-L192 HydrophobicContact CG1-CD1 3.64Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; V52-L196 HydrophobicContact CG1-CD2 3.99Å; V52-L196 HydrophobicContact CG1-CG 4.27Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.15Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å
53	D	94.9	Very high	97.5	Very high	28 Å²	28	33.8 Å²	33.8	15%	0.15	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	-123.5	-166.7	-53.3	-38.1	0	0	0	110.6	H27 S28	H27-D53 WeakPolarHBondContact CA-OD1 3.3Å; H27-D53 IonicContact CE1-OD2 2.73Å; H27-D53 IonicContact CG-OD2 3.43Å; H27-D53 IonicContact ND1-OD1 2.77Å; H27-D53 IonicContact ND1-OD2 3.57Å; H27-D53 PolarHBondContact ND1-OD2 3.41Å; S28-D53 PolarHBondContact N-OD1 2.87Å; S28-D53 PolarHBondContact O-N 3.01Å
54	D	93.6	Very high	97.7	Very high	65 Å²	65	30.1 Å²	30.1	35%	0.348	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7.2	179.1	-53.5	-58.4	0	0	0	113.4	V52 A235 F265	V52-D54 PolarHBondContact O-N 2.92Å; D54-A235 HydrophobicContact CB-CB 4.15Å; D54-A235 VanDerWaalsContact CG-CB 3.46Å; D54-A235 VanDerWaalsContact OD2-CB 3.26Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 3.48Å; D54-F265 HydrophobicContact CB-CE1 4.5Å; D54-F265 HydrophobicContact CB-CE2 3.83Å; D54-F265 HydrophobicContact CB-CZ 3.51Å
55	T	95.5	Very high	97.7	Very high	23 Å²	23	34.5 Å²	34.5	14%	0.141	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.9	-175.3	-60	0	0	0	0	111.7	Y51 V52 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 2.92Å; V52-T55 WeakPolarHBondContact O-CB 2.96Å; V52-T55 PolarHBondContact O-N 2.94Å; T55-F57 PolarHBondContact O-N 3.41Å; T55-L203 HydrophobicContact CG2-CD2 4.07Å; T55-Y233 PolarHBondContact OG1-OH 3.36Å
56	Q	97.2	Very high	97.5	Very high	50 Å²	50	33 Å²	33	23%	0.234	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.5	174	-166.3	-179.4	0.4	0	0	110.5	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; G50-Q56 WeakPolarHBondContact O-CA 3.43Å; G50-Q56 WeakPolarHBondContact O-CG 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.43Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.18Å; Y51-Q56 HydrophobicContact CE2-CG 3.94Å; Y51-Q56 HydrophobicContact CG-CB 4.5Å; Q56-V58 PolarHBondContact NE2-O 3.28Å; Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; Q56-R72 CarbonylContact O-C 3.56Å
57	F	98.2	Very high	97.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-22.4	-179.9	75.3	-82.6	0	0	0	114.4	M29 Y31 G50 V52 T55 P71 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.35Å; Y31-F57 AromaticContact CE1-CZ 3.9Å; Y31-F57 HydrophobicContact CE1-CZ 3.9Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.35Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 3.49Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 3.41Å; F57-P71 CarbonylContact O-C 3.56Å; F57-R72 PolarHBondContact O-N 2.9Å; F57-A73 HydrophobicContact CB-CB 4.18Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.11Å; F57-W75 AromaticContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CZ3 4.15Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; F57-I76 HydrophobicContact CD2-CB 4.47Å; F57-I76 HydrophobicContact CD2-CD1 4.03Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.4Å; F57-I76 VanDerWaalsContact O-CG2 3.3Å; F57-I76 WeakPolarHBondContact O-CG2 3.31Å; F57-Y195 HydrophobicContact CE2-CD2 4.25Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 AromaticContact CE2-CZ 4Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å
58	V	98.6	Very high	97.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.6	176	-72.5	0	0	0	0	112.8	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.96Å; V49-V58 WeakPolarHBondContact CA-O 3.5Å; G50-V58 PolarHBondContact N-O 2.88Å; G50-V58 VanDerWaalsContact N-O 3.09Å; G50-V58 PolarHBondContact O-N 3.43Å; Q56-V58 PolarHBondContact NE2-O 3.28Å; V58-M69 HydrophobicContact CB-CG 4.07Å; V58-M69 HydrophobicContact CB-SD 3.71Å; V58-M69 HydrophobicContact CG1-CG 4.1Å; V58-M69 HydrophobicContact CG1-SD 4.4Å; V58-M69 HydrophobicContact CG2-SD 4.14Å; V58-E70 WeakPolarHBondContact CA-O 3.35Å; V58-I76 HydrophobicContact CG1-CG1 4.49Å; V58-W84 HydrophobicContact CG1-CH2 4.11Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å
59	R	98.6	Very high	97.3	Very high	68 Å²	68	41.9 Å²	41.9	26%	0.257	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.4	172.7	-179.2	174.1	170.6	94.3	6.2	111.3	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.49Å; A48-R59 WeakPolarHBondContact O-CA 3.42Å; V49-R59 HydrophobicContact CG1-CB 4.5Å; V49-R59 HydrophobicContact CG1-CG 4.21Å; R59-D61 IonicContact NH2-OD2 3.36Å; R59-D61 PolarHBondContact NH2-OD2 3.14Å; R59-M69 VanDerWaalsContact C-SD 3.57Å; R59-E70 PolarHBondContact N-O 3.25Å; R59-E70 PolarHBondContact O-N 3.04Å; R59-R72 HydrophobicContact CB-CG 3.86Å
60	F	98.8	Very high	97.3	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143	165.2	175.6	-85.5	0	0	0	109.8	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.83Å; F46-F60 HydrophobicContact CD1-CD1 3.83Å; F46-F60 AromaticContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 4.19Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.98Å; A48-F60 PolarHBondContact O-N 3.43Å; F60-Q67 HydrophobicContact CE2-CB 4.39Å; F60-Q67 WeakPolarHBondContact CE2-O 3.07Å; F60-Q67 HydrophobicContact CZ-CB 4.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; F60-M69 HydrophobicContact CB-CE 4.32Å; F60-M69 HydrophobicContact CB-SD 3.97Å; F60-V91 HydrophobicContact CB-CG1 4.16Å; F60-V91 HydrophobicContact CB-CG2 3.8Å; F60-V91 HydrophobicContact CD1-CG1 4.35Å; F60-V91 HydrophobicContact CD1-CG2 3.93Å; F60-V91 HydrophobicContact CD2-CG1 3.4Å; F60-V91 VanDerWaalsContact CD2-CG1 3.4Å; F60-V91 HydrophobicContact CD2-CG2 4.33Å; F60-V91 HydrophobicContact CE2-CG1 3.79Å; F60-V91 HydrophobicContact CG-CB 4.44Å; F60-V91 HydrophobicContact CG-CG1 3.72Å; F60-V91 HydrophobicContact CG-CG2 3.77Å; F60-V91 HydrophobicContact CZ-CG1 4.42Å; F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.21Å
61	D	98.6	Very high	97.3	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.118	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122.1	173.7	-162.4	-31.9	0	0	0	109	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.17Å; R45-D61 IonicContact CZ-OD2 3.6Å; R45-D61 IonicContact NE-OD1 2.71Å; R45-D61 PolarHBondContact NE-OD1 3.38Å; R45-D61 IonicContact NE-OD2 3.31Å; R45-D61 IonicContact NH2-OD1 3.58Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 3.47Å; R59-D61 IonicContact NH2-OD2 3.36Å; R59-D61 PolarHBondContact NH2-OD2 3.14Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 3.07Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.23Å; D61-A64 PolarHBondContact O-N 2.95Å; D61-A64 VanDerWaalsContact O-N 3.1Å
62	S	98	Very high	97.2	Very high	16 Å²	16	47.3 Å²	47.3	11%	0.112	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.2	-178.9	63.9	0	0	0	0	113.1	F46 Q67	F46-S62 PolarHBondContact N-OG 2.94Å; F46-S62 PolarHBondContact O-N 3.03Å; F46-S62 PolarHBondContact O-OG 3.41Å; S62-Q67 PolarHBondContact O-NE2 2.68Å
63	D	97.1	Very high	97.1	Very high	79 Å²	79	47.6 Å²	47.6	42%	0.422	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.9	179.5	-69.3	-0.4	0	0	0	112.2	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.4Å; R38-D63 IonicContact CZ-OD2 3.75Å; R38-D63 IonicContact NH1-OD1 2.84Å; R38-D63 PolarHBondContact NH1-OD1 2.93Å; R38-D63 IonicContact NH1-OD2 3.72Å; R38-D63 PolarHBondContact NH1-OD2 2.91Å; R38-D63 IonicContact NH2-OD1 3.54Å; R38-D63 PolarHBondContact NH2-OD1 3.26Å; R38-D63 IonicContact NH2-OD2 3.64Å; R45-D63 VanDerWaalsContact CD-OD2 3.31Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 IonicContact NE-OD2 3.73Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 3.07Å
64	A	97.3	Very high	97.2	Very high	31 Å²	31	51.2 Å²	51.2	26%	0.256	28%	0.28	S	S	.	.	S	Bend	trans	-70.7	145.2	175.8	0	0	0	0	0	111.2	D61 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.23Å; D61-A64 PolarHBondContact O-N 2.95Å; D61-A64 VanDerWaalsContact O-N 3.1Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.91Å; A64-Q67 WeakPolarHBondContact O-CG 3.47Å; A64-Q67 PolarHBondContact O-N 2.83Å
65	A	96.7	Very high	97.3	Very high	113 Å²	113	48.9 Å²	48.9	93%	0.934	27%	0.267	S	S	*	.	S	Bend	trans	-63.2	-34	-179.2	0	0	0	0	0	113.4
66	S	94.1	Very high	97.4	Very high	59 Å²	59	47.8 Å²	47.8	41%	0.413	26%	0.26	S	S	.	.	S	Bend	trans	-69.4	-36.6	178.4	60.3	0	0	0	0	111.8	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.91Å; S66-R68 WeakPolarHBondContact O-CG 3.47Å; S66-R68 PolarHBondContact O-N 2.97Å; S66-E70 PolarHBondContact OG-OE1 2.9Å
67	Q	96.1	Very high	97.4	Very high	89 Å²	89	51.3 Å²	51.3	42%	0.416	28%	0.276	S	S	.	.			trans	40.3	47.6	-166.2	-58.9	-172.2	-20.4	0	0	111.7	F60 S62 A64 K92	F60-Q67 HydrophobicContact CE2-CB 4.39Å; F60-Q67 WeakPolarHBondContact CE2-O 3.07Å; F60-Q67 HydrophobicContact CZ-CB 4.48Å; S62-Q67 PolarHBondContact O-NE2 2.68Å; A64-Q67 WeakPolarHBondContact O-CG 3.47Å; A64-Q67 PolarHBondContact O-N 2.83Å; Q67-K92 WeakPolarHBondContact O-CE 3.3Å; Q67-K92 PolarHBondContact O-NZ 2.68Å; Q67-K92 VanDerWaalsContact O-NZ 3.11Å
68	R	98	Very high	97.2	Very high	126 Å²	126	57 Å²	57	48%	0.475	30%	0.303	S	S	.	.	S	Bend	trans	-118.9	158.7	174.9	-65.5	-167.5	112.9	106.9	-6	110.4	F60 S66 E70 D85 T88	F60-R68 WeakPolarHBondContact CD2-O 3.43Å; S66-R68 WeakPolarHBondContact O-CG 3.47Å; S66-R68 PolarHBondContact O-N 2.97Å; R68-E70 PolarHBondContact O-N 3.22Å; R68-D85 IonicContact CZ-OD1 3.15Å; R68-D85 IonicContact NE-OD1 2.74Å; R68-D85 IonicContact NH2-OD1 3.44Å; R68-D85 PolarHBondContact NH2-OD1 3.18Å; R68-T88 HydrophobicContact CB-CG2 4.36Å; R68-T88 HydrophobicContact CG-CG2 4.26Å
69	M	98.4	Very high	97.2	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.059	31%	0.306	C	S	.	.			trans	-68	128.7	164.8	-171.1	64.5	81.4	0	0	108.1	V58 R59 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.07Å; V58-M69 HydrophobicContact CB-SD 3.71Å; V58-M69 HydrophobicContact CG1-CG 4.1Å; V58-M69 HydrophobicContact CG1-SD 4.4Å; V58-M69 HydrophobicContact CG2-SD 4.14Å; R59-M69 VanDerWaalsContact C-SD 3.57Å; F60-M69 HydrophobicContact CB-CE 4.32Å; F60-M69 HydrophobicContact CB-SD 3.97Å; M69-W84 HydrophobicContact CB-CE3 4.32Å; M69-W84 HydrophobicContact CG-CE3 4.28Å; M69-W84 HydrophobicContact CG-CZ3 4.05Å; M69-E87 HydrophobicContact CB-CB 4.16Å; M69-E87 HydrophobicContact CG-CB 4.15Å; M69-T88 PolarHBondContact N-OG1 3.16Å; M69-V91 HydrophobicContact CE-CB 3.78Å; M69-V91 HydrophobicContact CE-CG1 4.03Å; M69-V91 HydrophobicContact CE-CG2 3.89Å
70	E	98.3	Very high	97.1	Very high	62 Å²	62	56 Å²	56	29%	0.29	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.9	-175.6	-61.5	177.8	172.4	0	0	110.9	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.35Å; R59-E70 PolarHBondContact N-O 3.25Å; R59-E70 PolarHBondContact O-N 3.04Å; S66-E70 PolarHBondContact OG-OE1 2.9Å; R68-E70 PolarHBondContact O-N 3.22Å; E70-R72 IonicContact OE2-CZ 3.21Å; E70-R72 IonicContact OE2-NH1 2.69Å; E70-R72 PolarHBondContact OE2-NH1 2.88Å; E70-R72 VanDerWaalsContact OE2-NH1 3.15Å; E70-R72 IonicContact OE2-NH2 3.02Å; E70-R72 PolarHBondContact OE2-NH2 3.4Å
71	P	98.2	Very high	97	Very high	43 Å²	43	60.6 Å²	60.6	28%	0.279	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	147.9	175	28.3	-34.4	0	0	0	111.3	F57 I76 E77 W84	F57-P71 CarbonylContact O-C 3.56Å; P71-I76 HydrophobicContact CB-CG2 3.65Å; P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.02Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 3.94Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å
72	R	97.4	Very high	97	Very high	103 Å²	103	67.9 Å²	67.9	39%	0.389	37%	0.374	S	S	.	.			trans	-130.2	0.4	173.9	-65.7	-63.2	-178.8	-93.5	2.5	113.6	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; Q56-R72 CarbonylContact O-C 3.56Å; F57-R72 PolarHBondContact O-N 2.9Å; R59-R72 HydrophobicContact CB-CG 3.86Å; E70-R72 IonicContact OE2-CZ 3.21Å; E70-R72 IonicContact OE2-NH1 2.69Å; E70-R72 PolarHBondContact OE2-NH1 2.88Å; E70-R72 VanDerWaalsContact OE2-NH1 3.15Å; E70-R72 IonicContact OE2-NH2 3.02Å; E70-R72 PolarHBondContact OE2-NH2 3.4Å
73	A	96.1	Very high	97	Very high	5 Å²	5	68 Å²	68	4%	0.041	37%	0.372	C	S	.	.	S	Bend	trans	-137.1	143.6	172.8	0	0	0	0	0	110.7	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.18Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.12Å; A73-W75 HydrophobicContact CB-CG 4.32Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 2.94Å; A73-I76 WeakPolarHBondContact O-CG2 3.35Å; A73-I76 PolarHBondContact O-N 3.37Å
74	P	96.3	Very high	97	Very high	105 Å²	105	66 Å²	66	68%	0.682	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-58.6	-37	-177.4	-26.2	34.7	0	0	0	113.7	I76 E77	P74-I76 PolarHBondContact O-N 3.38Å; P74-E77 WeakPolarHBondContact O-CB 3.5Å; P74-E77 PolarHBondContact O-N 2.77Å; P74-E77 VanDerWaalsContact O-N 3.12Å
75	W	96.3	Very high	97.1	Very high	15 Å²	15	67.8 Å²	67.8	6%	0.057	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-69.6	-14.9	-176.4	53.8	-106.1	0	0	0	114.4	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.96Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.11Å; F57-W75 AromaticContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CZ3 4.15Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.12Å; A73-W75 HydrophobicContact CB-CG 4.32Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 2.94Å; W75-Q78 WeakPolarHBondContact O-CG 3.37Å; W75-Q78 PolarHBondContact O-NE2 3.03Å; W75-Y195 HydrophobicContact CH2-CG 4.37Å; W75-Y195 AromaticContact CZ3-CD1 4Å; W75-Y195 HydrophobicContact CZ3-CD1 4Å; W75-Y195 AromaticContact CZ3-CG 3.85Å; W75-Y195 HydrophobicContact CZ3-CG 3.85Å; W75-N198 WeakPolarHBondContact CB-O 3.42Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.25Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	I	97.8	Very high	97.2	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-89	-19.5	173.9	-163.1	71.1	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.47Å; F57-I76 HydrophobicContact CD2-CD1 4.03Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.4Å; F57-I76 VanDerWaalsContact O-CG2 3.3Å; F57-I76 WeakPolarHBondContact O-CG2 3.31Å; V58-I76 HydrophobicContact CG1-CG1 4.49Å; P71-I76 HydrophobicContact CB-CG2 3.65Å; A73-I76 WeakPolarHBondContact O-CG2 3.35Å; A73-I76 PolarHBondContact O-N 3.37Å; P74-I76 PolarHBondContact O-N 3.38Å; I76-Q78 PolarHBondContact O-N 2.95Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.39Å; I76-E79 PolarHBondContact O-N 2.99Å; I76-Y83 HydrophobicContact CD1-CE1 4.23Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.01Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.33Å; I76-W84 WeakPolarHBondContact O-CZ2 3.44Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.38Å
77	E	96.4	Very high	97.4	Very high	124 Å²	124	61.1 Å²	61.1	58%	0.579	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.4	-177.3	-63.6	-178	-176	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.02Å; P74-E77 WeakPolarHBondContact O-CB 3.5Å; P74-E77 PolarHBondContact O-N 2.77Å; P74-E77 VanDerWaalsContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.93Å
78	Q	95.2	Very high	97.5	Very high	121 Å²	121	57.3 Å²	57.3	57%	0.565	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.4	175.2	70.2	-171.5	-31.8	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.37Å; W75-Q78 PolarHBondContact O-NE2 3.03Å; I76-Q78 PolarHBondContact O-N 2.95Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; Q78-N198 PolarHBondContact NE2-ND2 3.14Å
79	E	97.1	Very high	97.5	Very high	12 Å²	12	59.6 Å²	59.6	6%	0.056	30%	0.302	C	S	.	.	S	Bend	trans	-65.3	139	175.8	-68	-61.9	163	0	0	111.3	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.39Å; I76-E79 PolarHBondContact O-N 2.99Å; E77-E79 PolarHBondContact O-N 2.93Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.45Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CD2 4.34Å; E79-Y83 HydrophobicContact CG-CE1 4.2Å; E79-Y83 HydrophobicContact CG-CG 4.08Å; E79-W84 PolarHBondContact O-NE1 2.89Å; E79-R194 IonicContact OE1-CZ 3.51Å; E79-R194 IonicContact OE1-NE 2.83Å; E79-R194 PolarHBondContact OE1-NE 3.07Å; E79-R194 IonicContact OE1-NH2 3.7Å; E79-R194 PolarHBondContact OE1-NH2 3.5Å; E79-R194 IonicContact OE2-CZ 3.42Å; E79-R194 IonicContact OE2-NE 3.39Å; E79-R194 IonicContact OE2-NH2 3.23Å; E79-R194 PolarHBondContact OE2-NH2 2.91Å; E79-N198 PolarHBondContact OE1-ND2 3.41Å; E79-N198 VanDerWaalsContact OE1-ND2 3.12Å
80	G	96.7	Very high	97.5	Very high	35 Å²	35	63.5 Å²	63.5	36%	0.361	32%	0.319	S	S	.	.			trans	-71.9	169.6	-174.5	0	0	0	0	0	114.2	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.79Å; G80-Y83 WeakPolarHBondContact O-CB 3.26Å; G80-Y83 PolarHBondContact O-N 2.96Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 2.77Å
81	P	97.3	Very high	97.5	Very high	101 Å²	101	60.7 Å²	60.7	66%	0.656	31%	0.306	S	S	*	.	H	α-helix	trans	-58.9	-32.7	-179.4	23.7	-34	0	0	0	113.4	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 3.22Å; P81-W84 PolarHBondContact O-N 2.95Å; P81-D85 WeakPolarHBondContact O-CB 3.35Å; P81-D85 PolarHBondContact O-N 3.28Å
82	E	97.9	Very high	97.5	Very high	174 Å²	174	62.7 Å²	62.7	81%	0.813	31%	0.31	S	S	*	.	H	α-helix	trans	-61.9	-37.5	177.4	-64.8	-175.5	173.8	0	0	112.7	G80 G86	G80-E82 PolarHBondContact O-N 2.79Å; E82-G86 PolarHBondContact O-N 3.12Å
83	Y	97.8	Very high	97.5	Very high	19 Å²	19	60.5 Å²	60.5	8%	0.075	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-53.4	174.2	171.7	-92.3	0	0	0	110.2	I76 E79 G80 P81 D85 G86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.23Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.45Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CD2 4.34Å; E79-Y83 HydrophobicContact CG-CE1 4.2Å; E79-Y83 HydrophobicContact CG-CG 4.08Å; G80-Y83 WeakPolarHBondContact O-CB 3.26Å; G80-Y83 PolarHBondContact O-N 2.96Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 3.22Å; Y83-D85 PolarHBondContact O-N 3.14Å; Y83-G86 WeakPolarHBondContact O-CA 3.19Å; Y83-G86 PolarHBondContact O-N 3.36Å; Y83-G86 VanDerWaalsContact O-N 3.14Å; Y83-E87 HydrophobicContact CD1-CG 4.34Å; Y83-E87 HydrophobicContact CD2-CG 4.25Å; Y83-E87 HydrophobicContact CE1-CG 3.95Å; Y83-E87 HydrophobicContact CE2-CG 3.87Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.47Å; Y83-E87 PolarHBondContact O-N 3.29Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.4Å; Y83-W191 AromaticContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CE2-CE3 4.29Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 AromaticContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CZ3 3.72Å; Y83-Y195 HydrophobicContact CE2-CE1 4.39Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.22Å; Y83-Y195 PolarHBondContact OH-OH 3.12Å
84	W	98.4	Very high	97.6	Very high	38 Å²	38	62.6 Å²	62.6	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-39.2	-177	-66.7	112.6	0	0	0	113.1	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.11Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å; M69-W84 HydrophobicContact CB-CE3 4.32Å; M69-W84 HydrophobicContact CG-CE3 4.28Å; M69-W84 HydrophobicContact CG-CZ3 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 3.94Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.01Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.33Å; I76-W84 WeakPolarHBondContact O-CZ2 3.44Å; E79-W84 PolarHBondContact O-NE1 2.89Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 2.77Å; P81-W84 PolarHBondContact O-N 2.95Å; W84-T88 WeakPolarHBondContact O-CB 3.35Å; W84-T88 PolarHBondContact O-N 3.32Å; W84-T88 PolarHBondContact O-OG1 3.32Å
85	D	98.3	Very high	97.7	Very high	67 Å²	67	58.4 Å²	58.4	36%	0.358	30%	0.296	S	S	.	.	H	α-helix	trans	-69.6	-37.7	175.1	-76.8	-17	0	0	0	111.7	R68 P81 Y83 R89	R68-D85 IonicContact CZ-OD1 3.15Å; R68-D85 IonicContact NE-OD1 2.74Å; R68-D85 IonicContact NH2-OD1 3.44Å; R68-D85 PolarHBondContact NH2-OD1 3.18Å; P81-D85 WeakPolarHBondContact O-CB 3.35Å; P81-D85 PolarHBondContact O-N 3.28Å; Y83-D85 PolarHBondContact O-N 3.14Å; D85-R89 WeakPolarHBondContact O-CB 3.23Å; D85-R89 PolarHBondContact O-N 3.49Å
86	G	98.3	Very high	97.7	Very high	13 Å²	13	62.4 Å²	62.4	13%	0.134	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-54.2	173.1	0	0	0	0	0	112.4	E82 Y83 T88 R89 K90	E82-G86 PolarHBondContact O-N 3.12Å; Y83-G86 WeakPolarHBondContact O-CA 3.19Å; Y83-G86 PolarHBondContact O-N 3.36Å; Y83-G86 VanDerWaalsContact O-N 3.14Å; G86-T88 VanDerWaalsContact C-N 3.35Å; G86-T88 PolarHBondContact O-N 2.72Å; G86-R89 WeakPolarHBondContact O-CB 3.13Å; G86-R89 PolarHBondContact O-N 2.62Å; G86-R89 VanDerWaalsContact O-N 3.16Å; G86-K90 WeakPolarHBondContact O-CG 2.94Å; G86-K90 PolarHBondContact O-N 2.8Å
87	E	98.2	Very high	97.7	Very high	19 Å²	19	65.3 Å²	65.3	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-39.1	179.3	-68.5	-51.4	114.3	0	0	111.8	M69 Y83 R89 K90 V91	M69-E87 HydrophobicContact CB-CB 4.16Å; M69-E87 HydrophobicContact CG-CB 4.15Å; Y83-E87 HydrophobicContact CD1-CG 4.34Å; Y83-E87 HydrophobicContact CD2-CG 4.25Å; Y83-E87 HydrophobicContact CE1-CG 3.95Å; Y83-E87 HydrophobicContact CE2-CG 3.87Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.47Å; Y83-E87 PolarHBondContact O-N 3.29Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 3Å; E87-K90 PolarHBondContact O-N 3.02Å; E87-K90 WeakPolarHBondContact OE1-CD 3.32Å; E87-K90 IonicContact OE1-NZ 3.68Å; E87-K90 PolarHBondContact OE1-NZ 2.86Å; E87-V91 WeakPolarHBondContact O-CB 3.4Å; E87-V91 WeakPolarHBondContact O-CG1 3.25Å; E87-V91 PolarHBondContact O-N 2.87Å
88	T	98.6	Very high	97.8	Very high	10 Å²	10	59.4 Å²	59.4	6%	0.061	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-40.7	173.3	-63.9	0	0	0	0	111.8	R68 M69 W84 G86 V91 K92	R68-T88 HydrophobicContact CB-CG2 4.36Å; R68-T88 HydrophobicContact CG-CG2 4.26Å; M69-T88 PolarHBondContact N-OG1 3.16Å; W84-T88 WeakPolarHBondContact O-CB 3.35Å; W84-T88 PolarHBondContact O-N 3.32Å; W84-T88 PolarHBondContact O-OG1 3.32Å; G86-T88 VanDerWaalsContact C-N 3.35Å; G86-T88 PolarHBondContact O-N 2.72Å; T88-V91 WeakPolarHBondContact O-CG1 3.28Å; T88-K92 HydrophobicContact CG2-CD 4.28Å; T88-K92 WeakPolarHBondContact O-CB 3.23Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.35Å; T88-K92 PolarHBondContact O-N 2.81Å; T88-K92 VanDerWaalsContact O-N 3.14Å
89	R	98.4	Very high	97.9	Very high	174 Å²	174	58.7 Å²	58.7	66%	0.657	30%	0.297	S	S	*	.	H	α-helix	trans	-67	-45.9	177.3	-168.8	-174.2	-57.4	108.5	2.9	111.4	D85 G86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.23Å; D85-R89 PolarHBondContact O-N 3.49Å; G86-R89 WeakPolarHBondContact O-CB 3.13Å; G86-R89 PolarHBondContact O-N 2.62Å; G86-R89 VanDerWaalsContact O-N 3.16Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 3Å; R89-K92 PolarHBondContact O-N 2.93Å; R89-A93 PolarHBondContact O-N 2.83Å
90	K	97.8	Very high	97.9	Very high	94 Å²	94	62.2 Å²	62.2	41%	0.409	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-48	178.6	-69.8	175.2	-168.4	167.6	0	111.5	G86 E87 K92 A93 H94	G86-K90 WeakPolarHBondContact O-CG 2.94Å; G86-K90 PolarHBondContact O-N 2.8Å; E87-K90 PolarHBondContact O-N 3.02Å; E87-K90 WeakPolarHBondContact OE1-CD 3.32Å; E87-K90 IonicContact OE1-NZ 3.68Å; E87-K90 PolarHBondContact OE1-NZ 2.86Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.99Å; K90-A93 WeakPolarHBondContact O-CB 3.47Å; K90-A93 PolarHBondContact O-N 2.89Å; K90-A93 VanDerWaalsContact O-N 3.16Å; K90-H94 PolarHBondContact O-CD2 3.24Å; K90-H94 PolarHBondContact O-N 2.97Å
91	V	98.3	Very high	97.9	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-34.5	-178.2	76.3	0	0	0	0	112.2	F46 A48 F60 M69 E87 T88 H94 S95	F46-V91 HydrophobicContact CE1-CG2 3.72Å; A48-V91 HydrophobicContact CB-CG2 3.64Å; F60-V91 HydrophobicContact CB-CG1 4.16Å; F60-V91 HydrophobicContact CB-CG2 3.8Å; F60-V91 HydrophobicContact CD1-CG1 4.35Å; F60-V91 HydrophobicContact CD1-CG2 3.93Å; F60-V91 HydrophobicContact CD2-CG1 3.4Å; F60-V91 VanDerWaalsContact CD2-CG1 3.4Å; F60-V91 HydrophobicContact CD2-CG2 4.33Å; F60-V91 HydrophobicContact CE2-CG1 3.79Å; F60-V91 HydrophobicContact CG-CB 4.44Å; F60-V91 HydrophobicContact CG-CG1 3.72Å; F60-V91 HydrophobicContact CG-CG2 3.77Å; F60-V91 HydrophobicContact CZ-CG1 4.42Å; M69-V91 HydrophobicContact CE-CB 3.78Å; M69-V91 HydrophobicContact CE-CG1 4.03Å; M69-V91 HydrophobicContact CE-CG2 3.89Å; E87-V91 WeakPolarHBondContact O-CB 3.4Å; E87-V91 WeakPolarHBondContact O-CG1 3.25Å; E87-V91 PolarHBondContact O-N 2.87Å; T88-V91 WeakPolarHBondContact O-CG1 3.28Å; V91-H94 PolarHBondContact O-N 3.28Å; V91-S95 PolarHBondContact O-N 2.69Å
92	K	98.3	Very high	97.9	Very high	85 Å²	85	58.1 Å²	58.1	37%	0.37	28%	0.284	S	S	.	.	H	α-helix	trans	-65.6	-39.9	171.4	-76.3	-176.7	-179.9	-174.9	0	112.3	F60 Q67 T88 R89 K90 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.21Å; Q67-K92 WeakPolarHBondContact O-CE 3.3Å; Q67-K92 PolarHBondContact O-NZ 2.68Å; Q67-K92 VanDerWaalsContact O-NZ 3.11Å; T88-K92 HydrophobicContact CG2-CD 4.28Å; T88-K92 WeakPolarHBondContact O-CB 3.23Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.35Å; T88-K92 PolarHBondContact O-N 2.81Å; T88-K92 VanDerWaalsContact O-N 3.14Å; R89-K92 PolarHBondContact O-N 2.93Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.99Å; K92-S95 WeakPolarHBondContact O-CB 3.39Å; K92-S95 PolarHBondContact O-N 3.17Å; K92-Q96 PolarHBondContact O-N 2.86Å; K92-Q96 VanDerWaalsContact O-N 3.14Å
93	A	98.2	Very high	97.8	Very high	56 Å²	56	51.5 Å²	51.5	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-45.1	173.6	0	0	0	0	0	111.2	R89 K90 S95 Q96 T97	R89-A93 PolarHBondContact O-N 2.83Å; K90-A93 WeakPolarHBondContact O-CB 3.47Å; K90-A93 PolarHBondContact O-N 2.89Å; K90-A93 VanDerWaalsContact O-N 3.16Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 2.88Å; A93-Q96 PolarHBondContact O-N 2.89Å; A93-Q96 VanDerWaalsContact O-N 3.15Å; A93-T97 PolarHBondContact O-N 2.76Å; A93-T97 PolarHBondContact O-OG1 3.24Å
94	H	97.8	Very high	97.8	Very high	50 Å²	50	53.1 Å²	53.1	23%	0.231	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-38.6	174.7	-74	-47	0	0	0	113.3	F33 F46 K90 V91 Q96 T97 H98 R121	F33-H94 HydrophobicContact CD2-CB 4.17Å; F33-H94 HydrophobicContact CE2-CB 3.88Å; F33-H94 AromaticContact CE2-CD2 3.5Å; F33-H94 VanDerWaalsContact CE2-CD2 3.5Å; F33-H94 WeakPolarHBondContact CE2-CD2 3.33Å; F33-H94 AromaticContact CE2-CG 3.65Å; F46-H94 HydrophobicContact CZ-CB 4.17Å; K90-H94 PolarHBondContact O-CD2 3.24Å; K90-H94 PolarHBondContact O-N 2.97Å; V91-H94 PolarHBondContact O-N 3.28Å; H94-Q96 VanDerWaalsContact C-N 3.3Å; H94-Q96 PolarHBondContact O-N 3.05Å; H94-T97 PolarHBondContact O-N 3.22Å; H94-H98 PolarHBondContact O-CD2 2.79Å; H94-H98 PolarHBondContact O-N 2.91Å; H94-R121 PolarHBondContact CE1-NH1 3.31Å; H94-R121 VanDerWaalsContact CE1-NH1 3.26Å; H94-R121 PolarHBondContact ND1-NH1 3.01Å
95	S	97.9	Very high	97.8	Very high	17 Å²	17	51.8 Å²	51.8	12%	0.119	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-42	173.6	176.7	0	0	0	0	112	F46 V91 K92 A93 H98 R99	F46-S95 WeakPolarHBondContact CB-OG 3.43Å; V91-S95 PolarHBondContact O-N 2.69Å; K92-S95 WeakPolarHBondContact O-CB 3.39Å; K92-S95 PolarHBondContact O-N 3.17Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 2.88Å; S95-H98 PolarHBondContact O-N 2.88Å; S95-R99 PolarHBondContact O-N 3Å
96	Q	97.6	Very high	97.7	Very high	98 Å²	98	52 Å²	52	46%	0.458	27%	0.266	S	S	.	.	H	α-helix	trans	-68.4	-40.5	175.7	-64.8	-55.6	-45.1	0	0	112.5	K92 A93 H94 R99 V100	K92-Q96 PolarHBondContact O-N 2.86Å; K92-Q96 VanDerWaalsContact O-N 3.14Å; A93-Q96 PolarHBondContact O-N 2.89Å; A93-Q96 VanDerWaalsContact O-N 3.15Å; H94-Q96 VanDerWaalsContact C-N 3.3Å; H94-Q96 PolarHBondContact O-N 3.05Å; Q96-R99 WeakPolarHBondContact O-CB 3.4Å; Q96-R99 PolarHBondContact O-N 3.19Å; Q96-V100 PolarHBondContact O-N 2.88Å; Q96-V100 VanDerWaalsContact O-N 3.14Å
97	T	97.4	Very high	97.6	Very high	62 Å²	62	53.4 Å²	53.4	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-58.2	-50.1	173.4	-55.5	0	0	0	0	111	A93 H94 R99 V100 D101	A93-T97 PolarHBondContact O-N 2.76Å; A93-T97 PolarHBondContact O-OG1 3.24Å; H94-T97 PolarHBondContact O-N 3.22Å; T97-R99 PolarHBondContact O-N 3.41Å; T97-V100 WeakPolarHBondContact O-CB 3.34Å; T97-V100 PolarHBondContact O-N 2.03Å; T97-D101 PolarHBondContact O-N 2.8Å
98	H	97.8	Very high	97.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-30.8	178.8	-82.7	-124.4	0	0	0	112.8	F33 F46 H94 S95 D101 L102	F33-H98 AromaticContact CD2-NE2 3.93Å; F46-H98 HydrophobicContact CD2-CB 4.04Å; F46-H98 HydrophobicContact CE2-CB 4.04Å; F46-H98 AromaticContact CE2-CD2 3.89Å; F46-H98 AromaticContact CE2-CG 3.66Å; F46-H98 AromaticContact CE2-ND1 3.79Å; H94-H98 PolarHBondContact O-CD2 2.79Å; H94-H98 PolarHBondContact O-N 2.91Å; S95-H98 PolarHBondContact O-N 2.88Å; H98-D101 PolarHBondContact O-N 2.89Å; H98-L102 WeakPolarHBondContact O-CG 3.39Å; H98-L102 PolarHBondContact O-N 2.99Å
99	R	97.1	Very high	97.5	Very high	105 Å²	105	58.2 Å²	58.2	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-46.5	172	-179.3	177.4	83.3	159.1	6.9	111.6	E43 P44 S95 Q96 T97 D101 L102 G103	E43-R99 IonicContact OE1-NH1 2.72Å; E43-R99 PolarHBondContact OE1-NH1 2.64Å; E43-R99 WeakPolarHBondContact OE2-CD 3.03Å; E43-R99 IonicContact OE2-CZ 2.75Å; E43-R99 IonicContact OE2-NE 3.82Å; E43-R99 IonicContact OE2-NH1 3.53Å; E43-R99 PolarHBondContact OE2-NH1 2.92Å; P44-R99 HydrophobicContact CG-CG 4.21Å; S95-R99 PolarHBondContact O-N 3Å; Q96-R99 WeakPolarHBondContact O-CB 3.4Å; Q96-R99 PolarHBondContact O-N 3.19Å; T97-R99 PolarHBondContact O-N 3.41Å; R99-D101 VanDerWaalsContact C-N 3.32Å; R99-L102 PolarHBondContact O-N 2.94Å; R99-G103 PolarHBondContact O-N 2.95Å
100	V	97.2	Very high	97.4	Very high	87 Å²	87	57.2 Å²	57.2	53%	0.527	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-39.8	177.2	176.2	0	0	0	0	110.7	Q96 T97 L102 G103 T104	Q96-V100 PolarHBondContact O-N 2.88Å; Q96-V100 VanDerWaalsContact O-N 3.14Å; T97-V100 WeakPolarHBondContact O-CB 3.34Å; T97-V100 PolarHBondContact O-N 2.03Å; V100-L102 PolarHBondContact O-N 2.94Å; V100-G103 PolarHBondContact O-N 2.62Å; V100-T104 WeakPolarHBondContact O-CB 3.38Å; V100-T104 PolarHBondContact O-N 3Å; V100-T104 PolarHBondContact O-OG1 3.33Å
101	D	97.6	Very high	97.3	Very high	40 Å²	40	55.6 Å²	55.6	21%	0.214	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-43.6	178.2	-64.2	-23.3	0	0	0	111.4	T97 H98 R99 G103 T104 L105	T97-D101 PolarHBondContact O-N 2.8Å; H98-D101 PolarHBondContact O-N 2.89Å; R99-D101 VanDerWaalsContact C-N 3.32Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 2.85Å; D101-T104 PolarHBondContact O-N 3.33Å; D101-L105 HydrophobicContact CB-CD1 4.45Å; D101-L105 WeakPolarHBondContact O-CB 3.4Å; D101-L105 VanDerWaalsContact O-CG 3.24Å; D101-L105 WeakPolarHBondContact O-CG 3.18Å; D101-L105 PolarHBondContact O-N 2.84Å
102	L	97.6	Very high	97.1	Very high	9 Å²	9	59.2 Å²	59.2	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-55.3	-44	175.4	-81.5	165.2	0	0	0	112.3	S35 P44 H98 R99 V100 R106 H117 V119 Y142	S35-L102 VanDerWaalsContact OG-CD1 3.29Å; S35-L102 WeakPolarHBondContact OG-CD1 3.28Å; P44-L102 HydrophobicContact CB-CD1 3.59Å; P44-L102 HydrophobicContact CG-CD1 3.67Å; H98-L102 WeakPolarHBondContact O-CG 3.39Å; H98-L102 PolarHBondContact O-N 2.99Å; R99-L102 PolarHBondContact O-N 2.94Å; V100-L102 PolarHBondContact O-N 2.94Å; L102-R106 VanDerWaalsContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.29Å; L102-R106 VanDerWaalsContact O-N 3.17Å; L102-H117 HydrophobicContact CD2-CB 3.99Å; L102-H117 WeakPolarHBondContact CD2-O 3.3Å; L102-V119 HydrophobicContact CD2-CB 4.33Å; L102-V119 HydrophobicContact CD2-CG2 3.66Å; L102-V119 HydrophobicContact CG-CB 4.42Å; L102-V119 HydrophobicContact CG-CG2 3.84Å; L102-Y142 HydrophobicContact CD2-CE2 4.41Å
103	G	95.8	Very high	96.7	Very high	36 Å²	36	61.7 Å²	61.7	37%	0.371	34%	0.338	S	S	.	.	H	α-helix	trans	-69.3	-40.7	177.2	0	0	0	0	0	112.9	R99 V100 D101 G107	R99-G103 PolarHBondContact O-N 2.95Å; V100-G103 PolarHBondContact O-N 2.62Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 2.85Å; G103-G107 PolarHBondContact O-N 3.39Å; G103-G107 VanDerWaalsContact O-N 3.16Å
104	T	97.2	Very high	96.3	Very high	52 Å²	52	63.2 Å²	63.2	32%	0.319	35%	0.35	S	S	.	.	H	α-helix	trans	-65.9	-48.3	180	-58.8	0	0	0	0	111.5	V100 D101 G107 Y108	V100-T104 WeakPolarHBondContact O-CB 3.38Å; V100-T104 PolarHBondContact O-N 3Å; V100-T104 PolarHBondContact O-OG1 3.33Å; D101-T104 PolarHBondContact O-N 3.33Å; T104-G107 WeakPolarHBondContact O-CA 3.5Å; T104-G107 PolarHBondContact O-N 2.83Å; T104-G107 VanDerWaalsContact O-N 3.16Å; T104-Y108 HydrophobicContact CG2-CD1 4.42Å; T104-Y108 HydrophobicContact CG2-CD2 4.37Å; T104-Y108 HydrophobicContact CG2-CE1 3.86Å; T104-Y108 HydrophobicContact CG2-CE2 3.8Å; T104-Y108 PolarHBondContact O-N 3.26Å
105	L	97.8	Very high	96.1	Very high	10 Å²	10	61.9 Å²	61.9	5%	0.052	35%	0.35	C	S	.	.	H	α-helix	trans	-64.8	-44.4	-179.8	-68.3	168.4	0	0	0	111	D101 G107 Y108 Y109 V119 Y142 Y147	D101-L105 HydrophobicContact CB-CD1 4.45Å; D101-L105 WeakPolarHBondContact O-CB 3.4Å; D101-L105 VanDerWaalsContact O-CG 3.24Å; D101-L105 WeakPolarHBondContact O-CG 3.18Å; D101-L105 PolarHBondContact O-N 2.84Å; L105-G107 PolarHBondContact O-N 2.96Å; L105-Y108 HydrophobicContact CD2-CD2 4.37Å; L105-Y108 PolarHBondContact O-N 2.93Å; L105-Y109 HydrophobicContact CD2-CE2 4.35Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.89Å; L105-V119 HydrophobicContact CD1-CG2 3.54Å; L105-Y142 HydrophobicContact CB-CD1 4.3Å; L105-Y142 HydrophobicContact CB-CD2 4.07Å; L105-Y142 HydrophobicContact CB-CE1 4.01Å; L105-Y142 HydrophobicContact CB-CE2 3.77Å; L105-Y142 HydrophobicContact CB-CG 4.32Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 4.02Å; L105-Y142 HydrophobicContact CD1-CG 3.99Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y147 HydrophobicContact CD2-CD1 4.29Å; L105-Y147 HydrophobicContact CD2-CD2 4.1Å; L105-Y147 HydrophobicContact CD2-CE1 3.68Å; L105-Y147 HydrophobicContact CD2-CE2 3.45Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y147 HydrophobicContact CD2-CG 4.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å
106	R	96.6	Very high	96	Very high	72 Å²	72	64.7 Å²	64.7	27%	0.272	37%	0.369	S	S	.	.	H	α-helix	trans	-52.7	-42	172.9	-174.1	-173	68.3	177.3	10.6	111.7	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.29Å; L102-R106 VanDerWaalsContact O-N 3.17Å; R106-N110 PolarHBondContact O-N 2.92Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.42Å; R106-Q111 PolarHBondContact O-N 2.83Å; R106-E113 IonicContact CZ-OE1 3.78Å; R106-E113 IonicContact NH1-OE1 2.72Å; R106-E113 IonicContact NH2-OE1 3.76Å; R106-E113 PolarHBondContact NH2-OE1 3.4Å; R106-Y142 PolarHBondContact N-OH 3.48Å
107	G	96.4	Very high	96	Very high	43 Å²	43	60.7 Å²	60.7	44%	0.443	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-48.2	174.7	0	0	0	0	0	113.2	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 3.39Å; G103-G107 VanDerWaalsContact O-N 3.16Å; T104-G107 WeakPolarHBondContact O-CA 3.5Å; T104-G107 PolarHBondContact O-N 2.83Å; T104-G107 VanDerWaalsContact O-N 3.16Å; L105-G107 PolarHBondContact O-N 2.96Å; G107-Y109 PolarHBondContact O-N 3.36Å; G107-N110 PolarHBondContact O-N 2.73Å; G107-N110 VanDerWaalsContact O-N 3.09Å; G107-N110 PolarHBondContact O-OD1 3.39Å
108	Y	97.5	Very high	96.1	Very high	64 Å²	64	59.4 Å²	59.4	25%	0.251	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-34.8	178.6	-68.5	-10.1	0	0	0	113.2	T104 L105 T166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.42Å; T104-Y108 HydrophobicContact CG2-CD2 4.37Å; T104-Y108 HydrophobicContact CG2-CE1 3.86Å; T104-Y108 HydrophobicContact CG2-CE2 3.8Å; T104-Y108 PolarHBondContact O-N 3.26Å; L105-Y108 HydrophobicContact CD2-CD2 4.37Å; L105-Y108 PolarHBondContact O-N 2.93Å; Y108-T166 HydrophobicContact CE1-CG2 4.16Å; Y108-T166 HydrophobicContact CE2-CG2 4.08Å; Y108-K170 PolarHBondContact OH-NZ 2.91Å
109	Y	97.4	Very high	96.1	Very high	66 Å²	66	59.4 Å²	59.4	26%	0.259	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	4.1	178.5	-69.1	-73.3	0	0	0	113.8	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.35Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.89Å; G107-Y109 PolarHBondContact O-N 3.36Å; Y109-Q111 PolarHBondContact O-N 2.99Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.15Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.83Å; Y109-D161 VanDerWaalsContact OH-OD1 3.13Å; Y109-D161 PolarHBondContact OH-OD2 2.86Å; Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.58Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	96.2	Very high	96.2	Very high	152 Å²	152	58.1 Å²	58.1	81%	0.813	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	40.2	-177.8	-59	-54.7	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 2.92Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 2.73Å; G107-N110 VanDerWaalsContact O-N 3.09Å; G107-N110 PolarHBondContact O-OD1 3.39Å
111	Q	96.4	Very high	96.3	Very high	61 Å²	61	55 Å²	55	29%	0.285	32%	0.32	S	S	.	.			trans	-89.5	151.1	-176.3	-70.4	166.6	-33.5	0	0	112	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.42Å; R106-Q111 PolarHBondContact O-N 2.83Å; Y109-Q111 PolarHBondContact O-N 2.99Å; Q111-H117 PolarHBondContact OE1-CE1 3.24Å; Q111-H117 PolarHBondContact OE1-ND1 3.22Å; Q111-Y142 PolarHBondContact OE1-OH 3.41Å; Q111-D143 PolarHBondContact NE2-OD2 3.13Å
112	S	93.8	Very high	96.3	Very high	79 Å²	79	54.1 Å²	54.1	55%	0.552	32%	0.315	S	S	*	.			trans	-70.8	152.6	-178.6	74.6	0	0	0	0	112.9	A114 G115	S112-A114 PolarHBondContact O-N 3.31Å; S112-G115 PolarHBondContact O-N 3.47Å
113	E	89.7	Confident	96.4	Very high	137 Å²	137	54.6 Å²	54.6	64%	0.64	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.9	177.3	-54.6	-154.4	125.7	0	0	114.4	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.4Å; P39-E113 WeakPolarHBondContact CG-O 3.46Å; R106-E113 IonicContact CZ-OE1 3.78Å; R106-E113 IonicContact NH1-OE1 2.72Å; R106-E113 IonicContact NH2-OE1 3.76Å; R106-E113 PolarHBondContact NH2-OE1 3.4Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.29Å
114	A	90.8	Very high	96.5	Very high	88 Å²	88	52.9 Å²	52.9	73%	0.727	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.2	179.4	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.31Å
115	G	92.2	Very high	96.6	Very high	21 Å²	21	50.4 Å²	50.4	22%	0.216	28%	0.283	C	S	.	.	S	Bend	trans	-76.4	134.3	-179.5	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.45Å; S112-G115 PolarHBondContact O-N 3.47Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.29Å; G115-H117 PolarHBondContact O-CD2 3.19Å
116	S	96.7	Very high	96.6	Very high	76 Å²	76	51.1 Å²	51.1	53%	0.531	29%	0.288	S	S	.	.			trans	-79.9	131.1	165.3	-176.4	0	0	0	0	108.8	S37	S37-S116 PolarHBondContact O-OG 2.92Å
117	H	98	Very high	96.6	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.065	28%	0.275	C	S	.	.			trans	-129	153.9	-177.1	-64.7	-72.5	0	0	0	110.6	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.39Å; S37-H117 PolarHBondContact N-O 3.41Å; S37-H117 PolarHBondContact OG-N 3.34Å; S37-H117 PolarHBondContact OG-O 3.48Å; L102-H117 HydrophobicContact CD2-CB 3.99Å; L102-H117 WeakPolarHBondContact CD2-O 3.3Å; Q111-H117 PolarHBondContact OE1-CE1 3.24Å; Q111-H117 PolarHBondContact OE1-ND1 3.22Å; G115-H117 PolarHBondContact O-CD2 3.19Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.37Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.94Å; H117-D143 WeakPolarHBondContact CA-OD1 3.12Å; H117-D143 IonicContact CE1-OD2 3.99Å; H117-D143 IonicContact CG-OD1 3.65Å; H117-D143 IonicContact CG-OD2 2.74Å; H117-D143 IonicContact ND1-OD1 3.74Å; H117-D143 IonicContact ND1-OD2 3.03Å; H117-D143 PolarHBondContact ND1-OD2 2.83Å
118	T	98.5	Very high	96.4	Very high	35 Å²	35	46 Å²	46	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.9	-176.7	-53.5	0	0	0	0	110.8	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.91Å; S35-T118 CarbonylContact O-C 3.55Å; S35-T118 VanDerWaalsContact O-CA 3.31Å; S35-T118 WeakPolarHBondContact O-CA 3.3Å; V36-T118 HydrophobicContact CG2-CG2 4.15Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.18Å; T118-Y142 WeakPolarHBondContact O-CD2 3.22Å; T118-D143 PolarHBondContact N-OD1 2.74Å; T118-D143 PolarHBondContact O-N 3.27Å
119	V	98.6	Very high	96	Very high	1 Å²	1	47 Å²	47	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.2	168	173.4	0	0	0	0	108.4	S35 L102 L105 Y140 Y142	S35-V119 PolarHBondContact N-O 2.83Å; S35-V119 PolarHBondContact O-N 2.98Å; L102-V119 HydrophobicContact CD2-CB 4.33Å; L102-V119 HydrophobicContact CD2-CG2 3.66Å; L102-V119 HydrophobicContact CG-CB 4.42Å; L102-V119 HydrophobicContact CG-CG2 3.84Å; L105-V119 HydrophobicContact CD1-CG2 3.54Å; V119-Y140 HydrophobicContact CG1-CD1 4.02Å; V119-Y140 HydrophobicContact CG1-CE1 4.42Å; V119-Y142 HydrophobicContact CG2-CD2 3.66Å; V119-Y142 HydrophobicContact CG2-CE2 3.99Å
120	Q	98.8	Very high	95.5	Very high	78 Å²	78	48 Å²	48	36%	0.364	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.6	174.7	-64.2	172.8	-84.3	0	0	109.8	F33 T34 T118 Y140 A141	F33-Q120 CarbonylContact O-C 3.59Å; F33-Q120 VanDerWaalsContact O-CA 3.26Å; F33-Q120 WeakPolarHBondContact O-CA 3.44Å; T34-Q120 HydrophobicContact CG2-CG 4.02Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-Y140 CarbonylContact O-C 3.6Å; Q120-Y140 VanDerWaalsContact O-CA 3.22Å; Q120-Y140 WeakPolarHBondContact O-CA 3.29Å; Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 2.7Å
121	R	98.5	Very high	95.2	Very high	21 Å²	21	44.9 Å²	44.9	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.1	173	-176.8	-168.8	-179	-164.9	-13.8	109.2	F32 F33 H94 Y123 H138 Q139 Y140	F32-R121 WeakPolarHBondContact CA-O 3.45Å; F33-R121 HydrophobicContact CB-CB 4.32Å; F33-R121 PolarHBondContact N-O 2.91Å; F33-R121 PolarHBondContact O-N 3.42Å; H94-R121 PolarHBondContact CE1-NH1 3.31Å; H94-R121 VanDerWaalsContact CE1-NH1 3.26Å; H94-R121 PolarHBondContact ND1-NH1 3.01Å; R121-Y123 HydrophobicContact CG-CD1 4.38Å; R121-H138 PolarHBondContact NE-NE2 2.9Å; R121-H138 PolarHBondContact NH2-CD2 3.26Å; R121-H138 VanDerWaalsContact NH2-CD2 3.27Å; R121-H138 PolarHBondContact NH2-NE2 3.19Å; R121-Q139 CarbonylContact C-O 3.48Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.49Å; R121-Y140 HydrophobicContact CB-CD1 3.97Å; R121-Y140 HydrophobicContact CB-CE1 3.82Å; R121-Y140 HydrophobicContact CB-CE2 4.42Å; R121-Y140 HydrophobicContact CB-CG 4.37Å; R121-Y140 VanDerWaalsContact CD-OH 3.27Å; R121-Y140 WeakPolarHBondContact CD-OH 3.49Å; R121-Y140 HydrophobicContact CG-CD1 4.27Å; R121-Y140 HydrophobicContact CG-CD2 4.07Å; R121-Y140 HydrophobicContact CG-CE1 3.92Å; R121-Y140 HydrophobicContact CG-CE2 3.67Å; R121-Y140 HydrophobicContact CG-CG 4.35Å; R121-Y140 PolarHBondContact NE-OH 3.23Å
122	M	98.6	Very high	95	Very high	22 Å²	22	50 Å²	50	11%	0.108	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.4	165.7	-176.5	-80.8	-78.3	0	0	109	Y31 F32 Y137 H138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.36Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.43Å; F32-M122 HydrophobicContact CZ-CG 3.95Å; M122-Y137 HydrophobicContact CE-CD1 4.17Å; M122-Y137 HydrophobicContact CE-CG 4.16Å; M122-Y137 HydrophobicContact SD-CG 4.43Å; M122-H138 WeakPolarHBondContact O-CA 3.48Å; M122-Q139 HydrophobicContact CB-CG 4.02Å; M122-Q139 VanDerWaalsContact CE-CD 3.45Å; M122-Q139 HydrophobicContact CE-CG 3.99Å; M122-Q139 PolarHBondContact N-O 3.21Å; M122-Q139 PolarHBondContact O-N 2.94Å
123	Y	98.6	Very high	95.2	Very high	18 Å²	18	48.9 Å²	48.9	7%	0.071	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	158.9	169.2	71.1	-83.3	0	0	0	111.1	Y31 F33 R121 Y137 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.43Å; Y31-Y123 AromaticContact CD2-CE2 3.66Å; Y31-Y123 HydrophobicContact CD2-CE2 3.66Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 HydrophobicContact CE2-CE2 4.39Å; Y31-Y123 HydrophobicContact CG-CE1 4.26Å; Y31-Y123 HydrophobicContact CG-CE2 4.2Å; Y31-Y123 AromaticContact CG-CZ 3.77Å; Y31-Y123 PolarHBondContact N-O 2.83Å; Y31-Y123 PolarHBondContact O-N 3.19Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; F33-Y123 HydrophobicContact CD2-CE1 4.25Å; F33-Y123 HydrophobicContact CE1-CE1 4.16Å; F33-Y123 AromaticContact CE2-CE1 3.55Å; F33-Y123 HydrophobicContact CE2-CE1 3.55Å; F33-Y123 AromaticContact CZ-CE1 3.5Å; F33-Y123 HydrophobicContact CZ-CE1 3.5Å; F33-Y123 AromaticContact CZ-CZ 3.9Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.37Å; R121-Y123 HydrophobicContact CG-CD1 4.38Å; Y123-Y137 WeakPolarHBondContact CA-O 3.3Å; Y123-Y137 VanDerWaalsContact CB-O 3.28Å; Y123-Y137 WeakPolarHBondContact CB-O 3.45Å; Y123-Y183 AromaticContact CD2-CE1 3.94Å; Y123-Y183 HydrophobicContact CD2-CE1 3.94Å; Y123-Y183 AromaticContact CE2-CE1 3.87Å; Y123-Y183 HydrophobicContact CE2-CE1 3.87Å
124	G	98.5	Very high	95.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-177	-179.3	0	0	0	0	0	113.4	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.29Å; G124-G136 CarbonylContact O-C 3.49Å; G124-G136 WeakPolarHBondContact O-CA 3.49Å; G124-Y137 PolarHBondContact N-O 3.23Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.2Å; G124-L184 VanDerWaalsContact O-CD2 3.22Å; G124-L184 WeakPolarHBondContact O-CD2 3.43Å
125	C	98.6	Very high	95.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.9	-175.7	54.8	0	0	0	0	111.3	S28 M29 F133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.32Å; M29-C125 PolarHBondContact N-O 3.3Å; M29-C125 PolarHBondContact O-N 3.27Å; C125-F133 HydrophobicContact CB-CD2 4.42Å; C125-F133 HydrophobicContact CB-CE2 4.16Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 VanDerWaalsContact CA-O 3.29Å; C125-R135 WeakPolarHBondContact CA-O 2.95Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 2.88Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.93Å
126	D	97.8	Very high	96.1	Very high	26 Å²	26	47 Å²	47	14%	0.139	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.9	173.1	-59.3	-11	0	0	0	109.1	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.44Å; H27-D126 WeakPolarHBondContact O-CA 3.4Å; S28-D126 WeakPolarHBondContact CB-OD1 3.25Å; R30-D126 IonicContact CZ-OD1 2.97Å; R30-D126 IonicContact NE-OD1 3.4Å; R30-D126 PolarHBondContact NE-OD1 3.31Å; R30-D126 VanDerWaalsContact NH2-CG 3.26Å; R30-D126 IonicContact NH2-OD1 2.7Å; R30-D126 PolarHBondContact NH2-OD1 2.97Å; R30-D126 IonicContact NH2-OD2 3.22Å; R30-D126 PolarHBondContact NH2-OD2 2.84Å; D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 3.48Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 3.22Å; D126-R135 PolarHBondContact O-N 3Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 PolarHBondContact OD2-OH 3.18Å
127	V	96.3	Very high	96.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.4	173.4	-62	0	0	0	0	110.5	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.59Å; S26-V127 VanDerWaalsContact CA-O 3.29Å; S26-V127 WeakPolarHBondContact CA-O 3.45Å; S26-V127 WeakPolarHBondContact CB-O 3.39Å; H27-V127 HydrophobicContact CB-CG2 3.93Å; H27-V127 PolarHBondContact N-O 3.42Å; H27-V127 PolarHBondContact O-N 2.91Å; V127-R132 CarbonylContact C-O 3.6Å; V127-R132 WeakPolarHBondContact CA-O 3.36Å; V127-V189 HydrophobicContact CG1-CB 4.37Å; V127-V189 HydrophobicContact CG1-CG1 3.83Å; V127-V189 HydrophobicContact CG1-CG2 4.02Å; V127-L192 HydrophobicContact CB-CD2 4.42Å; V127-L192 HydrophobicContact CG1-CD2 3.97Å; V127-L192 HydrophobicContact CG2-CD2 3.71Å; V127-L192 HydrophobicContact CG2-CG 4.29Å
128	G	93	Very high	96.2	Very high	7 Å²	7	44.9 Å²	44.9	7%	0.072	21%	0.213	C	C	.	.			trans	-79.4	179.5	175.6	0	0	0	0	0	112	G25 D130 W131 R132 L134	G25-G128 CarbonylContact O-C 3.56Å; G128-D130 PolarHBondContact O-N 3.31Å; G128-W131 WeakPolarHBondContact O-CA 3.35Å; G128-W131 PolarHBondContact O-N 3.43Å; G128-R132 PolarHBondContact N-O 2.71Å; G128-L134 VanDerWaalsContact N-CD1 3.31Å; G128-L134 VanDerWaalsContact N-CG 3.33Å
129	S	88.3	Confident	96.2	Very high	86 Å²	86	46.7 Å²	46.7	60%	0.601	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.6	174.8	53.8	0	0	0	0	114.1	G25 W131	G25-S129 WeakPolarHBondContact O-CA 3.49Å; G25-S129 PolarHBondContact O-N 3.17Å; S129-W131 VanDerWaalsContact C-N 3.28Å
130	D	88.6	Confident	96.2	Very high	87 Å²	87	47.9 Å²	47.9	47%	0.465	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	9.7	170.2	72.2	-16.5	0	0	0	113.3	G128 R132	G128-D130 PolarHBondContact O-N 3.31Å; D130-R132 PolarHBondContact O-N 3Å; D130-R132 WeakPolarHBondContact OD1-CB 3.16Å; D130-R132 PolarHBondContact OD1-N 2.91Å; D130-R132 VanDerWaalsContact OD1-N 3.1Å; D130-R132 WeakPolarHBondContact OD2-CD 3.42Å; D130-R132 VanDerWaalsContact OD2-CG 3.28Å; D130-R132 WeakPolarHBondContact OD2-CG 3.17Å; D130-R132 IonicContact OD2-NE 2.77Å; D130-R132 PolarHBondContact OD2-NE 3.21Å
131	W	88.2	Confident	96.2	Very high	85 Å²	85	44.9 Å²	44.9	32%	0.322	21%	0.213	S	C	.	.	S	Bend	trans	64.5	9.6	-179.1	-51.7	89.2	0	0	0	114.6	G128 S129 R193 L196	G128-W131 WeakPolarHBondContact O-CA 3.35Å; G128-W131 PolarHBondContact O-N 3.43Å; S129-W131 VanDerWaalsContact C-N 3.28Å; W131-R193 HydrophobicContact CE3-CG 4.03Å; W131-R193 VanDerWaalsContact O-CZ 3.3Å; W131-R193 PolarHBondContact O-NE 3.01Å; W131-R193 VanDerWaalsContact O-NE 3.09Å; W131-R193 PolarHBondContact O-NH2 3.14Å; W131-L196 HydrophobicContact CE3-CD1 4.23Å; W131-L196 HydrophobicContact CH2-CB 4.04Å; W131-L196 HydrophobicContact CH2-CD1 4.14Å; W131-L196 HydrophobicContact CZ3-CB 3.71Å; W131-L196 HydrophobicContact CZ3-CD1 3.37Å; W131-L196 HydrophobicContact CZ3-CG 4.11Å
132	R	93.7	Very high	96.2	Very high	168 Å²	168	44.4 Å²	44.4	63%	0.634	21%	0.211	S	C	*	.			trans	-83.8	150	179.3	-62.8	-171.6	-173.8	-173.7	-2.3	110.9	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.6Å; V127-R132 WeakPolarHBondContact CA-O 3.36Å; G128-R132 PolarHBondContact N-O 2.71Å; D130-R132 PolarHBondContact O-N 3Å; D130-R132 WeakPolarHBondContact OD1-CB 3.16Å; D130-R132 PolarHBondContact OD1-N 2.91Å; D130-R132 VanDerWaalsContact OD1-N 3.1Å; D130-R132 WeakPolarHBondContact OD2-CD 3.42Å; D130-R132 VanDerWaalsContact OD2-CG 3.28Å; D130-R132 WeakPolarHBondContact OD2-CG 3.17Å; D130-R132 IonicContact OD2-NE 2.77Å; D130-R132 PolarHBondContact OD2-NE 3.21Å; R132-L134 PolarHBondContact O-N 3.14Å
133	F	96.9	Very high	96.2	Very high	57 Å²	57	46.2 Å²	46.2	25%	0.25	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	127.4	173.1	179.3	-99.4	0	0	0	110.7	C125 R135 G136 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.42Å; C125-F133 HydrophobicContact CB-CE2 4.16Å; F133-R135 VanDerWaalsContact CE2-C 3.45Å; F133-R135 WeakPolarHBondContact CE2-O 3.31Å; F133-G136 VanDerWaalsContact CZ-N 3.28Å; F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.63Å; F133-L184 WeakPolarHBondContact CD2-O 3.39Å; F133-L184 HydrophobicContact CE2-CB 4.42Å; F133-L184 WeakPolarHBondContact CE2-O 3.44Å; F133-E185 HydrophobicContact CD1-CG 4.05Å; F133-E185 HydrophobicContact CD2-CG 4.46Å; F133-E185 HydrophobicContact CE1-CG 3.92Å; F133-E185 HydrophobicContact CE2-CG 4.33Å; F133-E185 HydrophobicContact CG-CG 4.31Å; F133-E185 HydrophobicContact CZ-CG 4.06Å; F133-V189 HydrophobicContact CB-CG2 4.08Å; F133-V189 HydrophobicContact CD2-CG2 3.76Å; F133-V189 HydrophobicContact CG-CG2 4.41Å
134	L	96.3	Very high	96.1	Very high	106 Å²	106	48.3 Å²	48.3	56%	0.555	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	-48.8	173.9	-69.4	-178.5	0	0	0	111.6	D126 G128 R132	D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 3.48Å; G128-L134 VanDerWaalsContact N-CD1 3.31Å; G128-L134 VanDerWaalsContact N-CG 3.33Å; R132-L134 PolarHBondContact O-N 3.14Å
135	R	97.1	Very high	96.1	Very high	94 Å²	94	56 Å²	56	36%	0.355	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	147.8	-171.3	-171.9	163.4	168.7	148.1	9.8	111.6	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.57Å; C125-R135 VanDerWaalsContact CA-O 3.29Å; C125-R135 WeakPolarHBondContact CA-O 2.95Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 3.22Å; D126-R135 PolarHBondContact O-N 3Å; F133-R135 VanDerWaalsContact CE2-C 3.45Å; F133-R135 WeakPolarHBondContact CE2-O 3.31Å; R135-Y137 HydrophobicContact CB-CE2 4.14Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 WeakPolarHBondContact CD-OH 3.26Å; R135-Y137 HydrophobicContact CG-CD2 4.5Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.76Å; R135-Y137 PolarHBondContact NE-OH 3.1Å; R135-E152 IonicContact CZ-OE1 3.89Å; R135-E152 VanDerWaalsContact NH1-CD 3.34Å; R135-E152 IonicContact NH1-OE1 3.72Å; R135-E152 PolarHBondContact NH1-OE1 2.86Å; R135-E152 VanDerWaalsContact NH2-CG 3.35Å; R135-E152 IonicContact NH2-OE1 3.42Å; R135-E152 PolarHBondContact NH2-OE1 3.02Å
136	G	97.9	Very high	96.1	Very high	5 Å²	5	61.9 Å²	61.9	5%	0.052	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.8	175.6	0	0	0	0	0	110.6	G124 F133	G124-G136 CarbonylContact O-C 3.49Å; G124-G136 WeakPolarHBondContact O-CA 3.49Å; F133-G136 VanDerWaalsContact CZ-N 3.28Å
137	Y	98.4	Very high	96.1	Very high	40 Å²	40	61 Å²	61	16%	0.157	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.6	-178.4	-53.4	-98	0	0	0	109.8	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact CZ-CE2 3.45Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.25Å; R30-Y137 PolarHBondContact NH2-OH 2.97Å; M122-Y137 HydrophobicContact CE-CD1 4.17Å; M122-Y137 HydrophobicContact CE-CG 4.16Å; M122-Y137 HydrophobicContact SD-CG 4.43Å; Y123-Y137 WeakPolarHBondContact CA-O 3.3Å; Y123-Y137 VanDerWaalsContact CB-O 3.28Å; Y123-Y137 WeakPolarHBondContact CB-O 3.45Å; G124-Y137 PolarHBondContact N-O 3.23Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.2Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 PolarHBondContact OD2-OH 3.18Å; R135-Y137 HydrophobicContact CB-CE2 4.14Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 WeakPolarHBondContact CD-OH 3.26Å; R135-Y137 HydrophobicContact CG-CD2 4.5Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.76Å; R135-Y137 PolarHBondContact NE-OH 3.1Å
138	H	98.6	Very high	96.2	Very high	7 Å²	7	61.2 Å²	61.2	3%	0.032	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	109.4	167.5	-172.9	-84.1	0	0	0	108.4	R121 M122 Y140 L150 W157 W171 L180	R121-H138 PolarHBondContact NE-NE2 2.9Å; R121-H138 PolarHBondContact NH2-CD2 3.26Å; R121-H138 VanDerWaalsContact NH2-CD2 3.27Å; R121-H138 PolarHBondContact NH2-NE2 3.19Å; M122-H138 WeakPolarHBondContact O-CA 3.48Å; H138-Y140 AromaticContact CE1-CE2 3.45Å; H138-Y140 VanDerWaalsContact CE1-CE2 3.45Å; H138-Y140 WeakPolarHBondContact CE1-CE2 3.44Å; H138-Y140 AromaticContact ND1-CE2 3.94Å; H138-L150 HydrophobicContact CB-CB 4.01Å; H138-L150 HydrophobicContact CB-CD2 4.17Å; H138-L150 WeakPolarHBondContact O-CB 3.49Å; H138-L150 PolarHBondContact O-N 2.8Å; H138-W157 AromaticContact ND1-CH2 3.87Å; H138-W157 AromaticContact ND1-CZ3 3.9Å; H138-W171 AromaticContact CE1-CH2 3.93Å; H138-W171 AromaticContact CE1-CZ3 3.96Å; H138-L180 HydrophobicContact CB-CD1 4.33Å; H138-L180 VanDerWaalsContact CD2-CD2 3.5Å; H138-L180 WeakPolarHBondContact CD2-CD2 3.49Å; H138-L180 WeakPolarHBondContact NE2-CD2 3.05Å
139	Q	98.5	Very high	96.5	Very high	73 Å²	73	62.4 Å²	62.4	34%	0.341	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.9	-174	61.7	-168.1	62.6	0	0	111.3	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.48Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.49Å; M122-Q139 HydrophobicContact CB-CG 4.02Å; M122-Q139 VanDerWaalsContact CE-CD 3.45Å; M122-Q139 HydrophobicContact CE-CG 3.99Å; M122-Q139 PolarHBondContact N-O 3.21Å; M122-Q139 PolarHBondContact O-N 2.94Å; Q139-I148 WeakPolarHBondContact CA-O 3.31Å; Q139-A149 HydrophobicContact CB-CB 3.87Å
140	Y	98.6	Very high	97	Very high	25 Å²	25	59 Å²	59	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.1	174.8	-75.4	-107.1	0	0	0	110.6	V119 Q120 R121 H138 Y147 I148 W171	V119-Y140 HydrophobicContact CG1-CD1 4.02Å; V119-Y140 HydrophobicContact CG1-CE1 4.42Å; Q120-Y140 CarbonylContact O-C 3.6Å; Q120-Y140 VanDerWaalsContact O-CA 3.22Å; Q120-Y140 WeakPolarHBondContact O-CA 3.29Å; R121-Y140 HydrophobicContact CB-CD1 3.97Å; R121-Y140 HydrophobicContact CB-CE1 3.82Å; R121-Y140 HydrophobicContact CB-CE2 4.42Å; R121-Y140 HydrophobicContact CB-CG 4.37Å; R121-Y140 VanDerWaalsContact CD-OH 3.27Å; R121-Y140 WeakPolarHBondContact CD-OH 3.49Å; R121-Y140 HydrophobicContact CG-CD1 4.27Å; R121-Y140 HydrophobicContact CG-CD2 4.07Å; R121-Y140 HydrophobicContact CG-CE1 3.92Å; R121-Y140 HydrophobicContact CG-CE2 3.67Å; R121-Y140 HydrophobicContact CG-CG 4.35Å; R121-Y140 PolarHBondContact NE-OH 3.23Å; H138-Y140 AromaticContact CE1-CE2 3.45Å; H138-Y140 VanDerWaalsContact CE1-CE2 3.45Å; H138-Y140 WeakPolarHBondContact CE1-CE2 3.44Å; H138-Y140 AromaticContact ND1-CE2 3.94Å; Y140-Y147 WeakPolarHBondContact O-CB 3.46Å; Y140-Y147 PolarHBondContact O-N 3.42Å; Y140-I148 HydrophobicContact CD2-CG2 4.41Å; Y140-I148 PolarHBondContact N-O 3.33Å; Y140-I148 PolarHBondContact O-N 3.18Å; Y140-W171 AromaticContact CD2-CH2 3.87Å; Y140-W171 HydrophobicContact CD2-CH2 3.87Å; Y140-W171 AromaticContact CE2-CH2 3.57Å; Y140-W171 HydrophobicContact CE2-CH2 3.57Å; Y140-W171 HydrophobicContact CE2-CZ2 4.4Å; Y140-W171 HydrophobicContact CE2-CZ3 4.46Å
141	A	98.8	Very high	97.5	Very high	16 Å²	16	59.1 Å²	59.1	13%	0.132	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.8	168.2	0	0	0	0	0	110.1	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 2.7Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.23Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.47Å
142	Y	98.6	Very high	97.9	Very high	11 Å²	11	61.4 Å²	61.4	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.5	177	-173.7	-121.3	0	0	0	109.9	L102 L105 R106 Y109 Q111 H117 T118 V119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.41Å; L105-Y142 HydrophobicContact CB-CD1 4.3Å; L105-Y142 HydrophobicContact CB-CD2 4.07Å; L105-Y142 HydrophobicContact CB-CE1 4.01Å; L105-Y142 HydrophobicContact CB-CE2 3.77Å; L105-Y142 HydrophobicContact CB-CG 4.32Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 4.02Å; L105-Y142 HydrophobicContact CD1-CG 3.99Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; R106-Y142 PolarHBondContact N-OH 3.48Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Q111-Y142 PolarHBondContact OE1-OH 3.41Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.37Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.94Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.18Å; T118-Y142 WeakPolarHBondContact O-CD2 3.22Å; V119-Y142 HydrophobicContact CG2-CD2 3.66Å; V119-Y142 HydrophobicContact CG2-CE2 3.99Å; Y142-G144 PolarHBondContact O-N 3.15Å; Y142-K145 PolarHBondContact N-O 3.31Å; Y142-K145 PolarHBondContact O-N 2.91Å
143	D	98.1	Very high	98.1	Very high	60 Å²	60	57.2 Å²	57.2	32%	0.321	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	40.3	-175.6	-66.9	-20.3	0	0	0	113.4	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.13Å; H117-D143 WeakPolarHBondContact CA-OD1 3.12Å; H117-D143 IonicContact CE1-OD2 3.99Å; H117-D143 IonicContact CG-OD1 3.65Å; H117-D143 IonicContact CG-OD2 2.74Å; H117-D143 IonicContact ND1-OD1 3.74Å; H117-D143 IonicContact ND1-OD2 3.03Å; H117-D143 PolarHBondContact ND1-OD2 2.83Å; T118-D143 PolarHBondContact N-OD1 2.74Å; T118-D143 PolarHBondContact O-N 3.27Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 3.5Å
144	G	97.3	Very high	98.1	Very high	61 Å²	61	54.7 Å²	54.7	63%	0.629	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	7.6	178.4	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.15Å
145	K	98.4	Very high	98.2	Very high	161 Å²	161	57.8 Å²	57.8	70%	0.7	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.3	176.7	-61.8	179.6	-177.2	177.2	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.23Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.47Å; Y142-K145 PolarHBondContact N-O 3.31Å; Y142-K145 PolarHBondContact O-N 2.91Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 3.5Å; K145-Y147 PolarHBondContact O-N 2.81Å
146	D	98.6	Very high	98.2	Very high	124 Å²	124	54.7 Å²	54.7	66%	0.663	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54	137.3	173.5	-68.9	-26.6	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.32Å; D146-A160 WeakPolarHBondContact O-CB 3.36Å
147	Y	98.8	Very high	98.2	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-65.1	179.1	179.2	-111.5	0	0	0	110.7	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.29Å; L105-Y147 HydrophobicContact CD2-CD2 4.1Å; L105-Y147 HydrophobicContact CD2-CE1 3.68Å; L105-Y147 HydrophobicContact CD2-CE2 3.45Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y147 HydrophobicContact CD2-CG 4.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.15Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; Y140-Y147 WeakPolarHBondContact O-CB 3.46Å; Y140-Y147 PolarHBondContact O-N 3.42Å; K145-Y147 PolarHBondContact O-N 2.81Å; Y147-A160 WeakPolarHBondContact O-CB 3.37Å; Y147-A160 PolarHBondContact O-N 2.89Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 3.37Å; Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.61Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.31Å; Y147-T167 PolarHBondContact OH-OG1 2.86Å
148	I	98.8	Very high	98.2	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140.2	178.5	-163	174.9	0	0	0	110.3	Q139 Y140 W157 T158 T167 K168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.31Å; Y140-I148 HydrophobicContact CD2-CG2 4.41Å; Y140-I148 PolarHBondContact N-O 3.33Å; Y140-I148 PolarHBondContact O-N 3.18Å; I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.36Å; I148-W157 HydrophobicContact CD1-CE3 4.12Å; I148-W157 HydrophobicContact CD1-CG 4.45Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; I148-T158 CarbonylContact C-O 3.52Å; I148-T158 WeakPolarHBondContact CA-O 3.38Å; I148-T158 WeakPolarHBondContact CG1-O 3.29Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; I148-K168 HydrophobicContact CD1-CB 3.84Å; I148-W171 HydrophobicContact CD1-CE3 4.12Å; I148-W171 HydrophobicContact CD1-CZ3 4.39Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.9Å
149	A	98.8	Very high	98.2	Very high	31 Å²	31	56.7 Å²	56.7	26%	0.256	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.4	179.2	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.87Å; A149-W157 WeakPolarHBondContact O-CA 3.29Å; A149-T158 PolarHBondContact N-O 3.25Å; A149-T158 PolarHBondContact O-N 3.48Å
150	L	98.8	Very high	98.2	Very high	16 Å²	16	56 Å²	56	8%	0.084	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.1	168.6	-174.2	64.8	0	0	0	108.7	H138 L154 W157 A177 L180 L184	H138-L150 HydrophobicContact CB-CB 4.01Å; H138-L150 HydrophobicContact CB-CD2 4.17Å; H138-L150 WeakPolarHBondContact O-CB 3.49Å; H138-L150 PolarHBondContact O-N 2.8Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-W157 HydrophobicContact CG-CZ3 4.5Å; L150-A177 HydrophobicContact CD1-CB 4.05Å; L150-L180 HydrophobicContact CD2-CB 4.38Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å
151	K	98.4	Very high	98.2	Very high	88 Å²	88	57.6 Å²	57.6	38%	0.383	31%	0.314	S	S	.	.			trans	-74.5	166.1	177.9	-63.3	-163	-155.3	162.9	0	111.4	D153 L154 S156 T158	K151-D153 PolarHBondContact O-N 3.18Å; K151-D153 VanDerWaalsContact O-N 3.11Å; K151-L154 PolarHBondContact O-N 3.42Å; K151-S156 WeakPolarHBondContact CB-O 3.4Å; K151-S156 VanDerWaalsContact CD-OG 3.24Å; K151-S156 WeakPolarHBondContact CD-OG 3.46Å; K151-S156 WeakPolarHBondContact CE-OG 3.41Å; K151-S156 WeakPolarHBondContact CG-O 3.4Å; K151-S156 PolarHBondContact N-O 2.89Å; K151-T158 VanDerWaalsContact CE-OG1 3.24Å; K151-T158 WeakPolarHBondContact CE-OG1 3.42Å; K151-T158 WeakPolarHBondContact CG-OG1 3.4Å
152	E	97.3	Very high	98.1	Very high	134 Å²	134	64.3 Å²	64.3	63%	0.626	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.8	178.2	-65	179.9	-173.7	0	0	113.5	R135 L154	R135-E152 IonicContact CZ-OE1 3.89Å; R135-E152 VanDerWaalsContact NH1-CD 3.34Å; R135-E152 IonicContact NH1-OE1 3.72Å; R135-E152 PolarHBondContact NH1-OE1 2.86Å; R135-E152 VanDerWaalsContact NH2-CG 3.35Å; R135-E152 IonicContact NH2-OE1 3.42Å; R135-E152 PolarHBondContact NH2-OE1 3.02Å; E152-L154 PolarHBondContact O-N 2.86Å
153	D	97.3	Very high	98	Very high	79 Å²	79	64.4 Å²	64.4	42%	0.422	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.3	174.6	67.3	12.8	0	0	0	114.1	K151 R155 S156	K151-D153 PolarHBondContact O-N 3.18Å; K151-D153 VanDerWaalsContact O-N 3.11Å; D153-R155 WeakPolarHBondContact O-CG 3.42Å; D153-R155 PolarHBondContact O-N 2.87Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.83Å; D153-S156 PolarHBondContact OD1-N 3.43Å; D153-S156 PolarHBondContact OD1-OG 3.25Å; D153-S156 WeakPolarHBondContact OD2-CB 3.26Å; D153-S156 PolarHBondContact OD2-OG 3.45Å
154	L	97.8	Very high	98.1	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.026	33%	0.332	C	S	.	.	S	Bend	trans	53.4	25.3	-175.4	-51.8	178.1	0	0	0	114.2	F133 L150 K151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.63Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; K151-L154 PolarHBondContact O-N 3.42Å; E152-L154 PolarHBondContact O-N 2.86Å; L154-R181 HydrophobicContact CB-CB 4.1Å; L154-R181 HydrophobicContact CB-CG 3.91Å; L154-R181 HydrophobicContact CD1-CG 4.05Å; L154-L184 HydrophobicContact CD2-CD1 4.16Å; L154-E185 HydrophobicContact CD1-CG 4.03Å
155	R	97.1	Very high	98.1	Very high	171 Å²	171	61.4 Å²	61.4	65%	0.645	32%	0.315	S	S	*	.	S	Bend	trans	-130.6	-32.1	-175.6	-69.9	173.7	-170.1	-154.2	3.1	112.2	D153	D153-R155 WeakPolarHBondContact O-CG 3.42Å; D153-R155 PolarHBondContact O-N 2.87Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.83Å
156	S	97.4	Very high	98.1	Very high	28 Å²	28	56.5 Å²	56.5	20%	0.196	30%	0.299	C	S	.	.			trans	-118.3	161	-175.7	72.8	0	0	0	0	112.4	K151 D153	K151-S156 WeakPolarHBondContact CB-O 3.4Å; K151-S156 VanDerWaalsContact CD-OG 3.24Å; K151-S156 WeakPolarHBondContact CD-OG 3.46Å; K151-S156 WeakPolarHBondContact CE-OG 3.41Å; K151-S156 WeakPolarHBondContact CG-O 3.4Å; K151-S156 PolarHBondContact N-O 2.89Å; D153-S156 PolarHBondContact OD1-N 3.43Å; D153-S156 PolarHBondContact OD1-OG 3.25Å; D153-S156 WeakPolarHBondContact OD2-CB 3.26Å; D153-S156 PolarHBondContact OD2-OG 3.45Å
157	W	98.6	Very high	98.1	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.011	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.1	-174.5	-60.6	93.8	0	0	0	111.9	H138 I148 A149 L150 K168 W171 V176 A177 L180	H138-W157 AromaticContact ND1-CH2 3.87Å; H138-W157 AromaticContact ND1-CZ3 3.9Å; I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.36Å; I148-W157 HydrophobicContact CD1-CE3 4.12Å; I148-W157 HydrophobicContact CD1-CG 4.45Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; A149-W157 WeakPolarHBondContact O-CA 3.29Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-W157 HydrophobicContact CG-CZ3 4.5Å; W157-K168 HydrophobicContact CB-CD 4.09Å; W157-K168 HydrophobicContact CB-CG 3.98Å; W157-K168 PolarHBondContact O-NZ 2.84Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CH2-CD2 4.44Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.04Å; W157-W171 AromaticContact CZ3-CE3 3.48Å; W157-W171 HydrophobicContact CZ3-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.48Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; W157-V176 HydrophobicContact CZ2-CB 4.36Å; W157-V176 HydrophobicContact CZ2-CG1 4.12Å; W157-A177 HydrophobicContact CZ2-CB 4.2Å; W157-L180 HydrophobicContact CH2-CD1 3.43Å; W157-L180 VanDerWaalsContact CH2-CD1 3.43Å; W157-L180 HydrophobicContact CZ2-CD1 3.89Å
158	T	98.6	Very high	98	Very high	75 Å²	75	52.9 Å²	52.9	46%	0.46	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.5	165.1	-60.6	0	0	0	0	108.3	I148 A149 K151	I148-T158 CarbonylContact C-O 3.52Å; I148-T158 WeakPolarHBondContact CA-O 3.38Å; I148-T158 WeakPolarHBondContact CG1-O 3.29Å; A149-T158 PolarHBondContact N-O 3.25Å; A149-T158 PolarHBondContact O-N 3.48Å; K151-T158 VanDerWaalsContact CE-OG1 3.24Å; K151-T158 WeakPolarHBondContact CE-OG1 3.42Å; K151-T158 WeakPolarHBondContact CG-OG1 3.4Å
159	A	98.6	Very high	98	Very high	17 Å²	17	58.1 Å²	58.1	14%	0.14	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.4	175.2	0	0	0	0	0	109	A164 Q165 K168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 4.37Å; A159-K168 HydrophobicContact CB-CB 4.31Å; A159-K168 HydrophobicContact CB-CD 4.2Å
160	A	98.4	Very high	98	Very high	59 Å²	59	62.4 Å²	62.4	49%	0.488	32%	0.315	S	S	.	.	S	Bend	trans	-76.9	-30.9	-173.7	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.32Å; D146-A160 WeakPolarHBondContact O-CB 3.36Å; Y147-A160 WeakPolarHBondContact O-CB 3.37Å; Y147-A160 PolarHBondContact O-N 2.89Å
161	D	97.9	Very high	98	Very high	57 Å²	57	64.2 Å²	64.2	31%	0.305	32%	0.321	S	S	.	.	S	Bend	trans	-150.9	-175.1	-178.6	65.8	30.5	0	0	0	112.7	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.83Å; Y109-D161 VanDerWaalsContact OH-OD1 3.13Å; Y109-D161 PolarHBondContact OH-OD2 2.86Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.49Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.33Å; D161-A163 PolarHBondContact OD1-N 2.87Å; D161-A164 WeakPolarHBondContact O-CB 3.35Å; D161-A164 PolarHBondContact O-N 3.32Å; D161-A164 PolarHBondContact OD1-N 2.83Å; D161-Q165 WeakPolarHBondContact O-CG 3.46Å; D161-Q165 PolarHBondContact O-N 3.27Å
162	M	97.2	Very high	98	Very high	158 Å²	158	63.7 Å²	63.7	78%	0.778	32%	0.32	S	S	*	.	H	α-helix	trans	-64.4	-32.6	-179.4	-67.6	-55.7	-59.8	0	0	113.8	Q165	M162-Q165 PolarHBondContact O-N 2.86Å
163	A	97.1	Very high	98	Very high	13 Å²	13	61.2 Å²	61.2	11%	0.107	32%	0.322	C	S	.	.	H	α-helix	trans	-69.9	-38.5	175.7	0	0	0	0	0	110.4	Y109 Y147 D161 Q165 T166	Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.58Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 3.37Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.49Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.33Å; D161-A163 PolarHBondContact OD1-N 2.87Å; A163-Q165 VanDerWaalsContact C-N 3.34Å; A163-Q165 PolarHBondContact O-N 2.94Å; A163-T166 WeakPolarHBondContact O-CB 3.18Å; A163-T166 PolarHBondContact O-N 3.12Å
164	A	98.3	Very high	98.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-32	173.7	0	0	0	0	0	113.4	Y147 A159 D161 T166 T167 K168	Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.61Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 WeakPolarHBondContact O-CB 3.35Å; D161-A164 PolarHBondContact O-N 3.32Å; D161-A164 PolarHBondContact OD1-N 2.83Å; A164-T166 PolarHBondContact O-N 2.88Å; A164-T167 PolarHBondContact O-N 3.21Å; A164-T167 VanDerWaalsContact O-N 3.12Å; A164-K168 PolarHBondContact O-N 3.02Å
165	Q	98.4	Very high	98	Very high	57 Å²	57	65.1 Å²	65.1	27%	0.266	35%	0.348	S	S	.	.	H	α-helix	trans	-58.2	-36.2	173.2	-65.8	-63.2	-19.9	0	0	112	A159 D161 M162 A163 T167 K168 H169	A159-Q165 HydrophobicContact CB-CG 4.37Å; D161-Q165 WeakPolarHBondContact O-CG 3.46Å; D161-Q165 PolarHBondContact O-N 3.27Å; M162-Q165 PolarHBondContact O-N 2.86Å; A163-Q165 VanDerWaalsContact C-N 3.34Å; A163-Q165 PolarHBondContact O-N 2.94Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-T167 PolarHBondContact O-N 2.86Å; Q165-K168 WeakPolarHBondContact O-CB 3.5Å; Q165-K168 PolarHBondContact O-N 2.89Å; Q165-H169 PolarHBondContact O-CD2 2.99Å; Q165-H169 PolarHBondContact O-N 3.43Å
166	T	97.7	Very high	98.1	Very high	58 Å²	58	58.3 Å²	58.3	36%	0.356	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-44.9	175.9	-56.4	0	0	0	0	111.5	Y108 A163 A164 K170	Y108-T166 HydrophobicContact CE1-CG2 4.16Å; Y108-T166 HydrophobicContact CE2-CG2 4.08Å; A163-T166 WeakPolarHBondContact O-CB 3.18Å; A163-T166 PolarHBondContact O-N 3.12Å; A164-T166 PolarHBondContact O-N 2.88Å; T166-K170 WeakPolarHBondContact O-CG 3.3Å; T166-K170 PolarHBondContact O-N 2.96Å
167	T	98.1	Very high	98.1	Very high	15 Å²	15	57.3 Å²	57.3	9%	0.092	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-41.9	176.7	-66.8	0	0	0	0	111.6	Y147 I148 A164 Q165 H169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.31Å; Y147-T167 PolarHBondContact OH-OG1 2.86Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; A164-T167 PolarHBondContact O-N 3.21Å; A164-T167 VanDerWaalsContact O-N 3.12Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-T167 PolarHBondContact O-N 2.86Å; T167-H169 PolarHBondContact O-N 3.09Å; T167-K170 PolarHBondContact O-N 2.86Å; T167-W171 HydrophobicContact CG2-CD2 3.91Å; T167-W171 HydrophobicContact CG2-CE3 4.46Å; T167-W171 HydrophobicContact CG2-CG 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 4Å; T167-W171 WeakPolarHBondContact O-CB 2.89Å; T167-W171 PolarHBondContact O-N 3.11Å
168	K	98.6	Very high	98.1	Very high	43 Å²	43	63.1 Å²	63.1	19%	0.187	35%	0.346	C	S	.	.	H	α-helix	trans	-53.5	-51.9	175.2	172.9	173.9	172.5	-175.7	0	111.7	I148 W157 A159 A164 Q165 K170 W171 E172	I148-K168 HydrophobicContact CD1-CB 3.84Å; W157-K168 HydrophobicContact CB-CD 4.09Å; W157-K168 HydrophobicContact CB-CG 3.98Å; W157-K168 PolarHBondContact O-NZ 2.84Å; A159-K168 HydrophobicContact CB-CB 4.31Å; A159-K168 HydrophobicContact CB-CD 4.2Å; A164-K168 PolarHBondContact O-N 3.02Å; Q165-K168 WeakPolarHBondContact O-CB 3.5Å; Q165-K168 PolarHBondContact O-N 2.89Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.49Å; K168-W171 PolarHBondContact O-N 3Å; K168-W171 VanDerWaalsContact O-N 3.16Å; K168-E172 WeakPolarHBondContact CE-OE1 3.43Å; K168-E172 HydrophobicContact CG-CG 4.29Å; K168-E172 IonicContact NZ-OE1 3.89Å; K168-E172 WeakPolarHBondContact O-CB 3.42Å; K168-E172 WeakPolarHBondContact O-CG 3.41Å; K168-E172 PolarHBondContact O-N 2.92Å
169	H	98.4	Very high	98	Very high	114 Å²	114	66.3 Å²	66.3	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-39.3	179.6	-69.6	-44.5	0	0	0	112.8	Q165 T167 E172 A173	Q165-H169 PolarHBondContact O-CD2 2.99Å; Q165-H169 PolarHBondContact O-N 3.43Å; T167-H169 PolarHBondContact O-N 3.09Å; H169-E172 IonicContact ND1-OE2 3.58Å; H169-A173 VanDerWaalsContact O-CB 3.31Å; H169-A173 WeakPolarHBondContact O-CB 3.36Å; H169-A173 PolarHBondContact O-N 2.88Å
170	K	98.1	Very high	98	Very high	120 Å²	120	66.6 Å²	66.6	52%	0.522	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-43.7	175	-72.8	177.4	176.3	-174.9	0	111.7	Y108 T166 T167 K168 A174	Y108-K170 PolarHBondContact OH-NZ 2.91Å; T166-K170 WeakPolarHBondContact O-CG 3.3Å; T166-K170 PolarHBondContact O-N 2.96Å; T167-K170 PolarHBondContact O-N 2.86Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.49Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.09Å; K170-A174 PolarHBondContact O-N 3.19Å
171	W	98.3	Very high	98	Very high	55 Å²	55	67.4 Å²	67.4	21%	0.208	35%	0.345	C	S	.	.	H	α-helix	trans	-72.6	-35	-178.4	-75.7	11.6	0	0	0	113	H138 Y140 I148 W157 T167 K168 A174 H175 V176	H138-W171 AromaticContact CE1-CH2 3.93Å; H138-W171 AromaticContact CE1-CZ3 3.96Å; Y140-W171 AromaticContact CD2-CH2 3.87Å; Y140-W171 HydrophobicContact CD2-CH2 3.87Å; Y140-W171 AromaticContact CE2-CH2 3.57Å; Y140-W171 HydrophobicContact CE2-CH2 3.57Å; Y140-W171 HydrophobicContact CE2-CZ2 4.4Å; Y140-W171 HydrophobicContact CE2-CZ3 4.46Å; I148-W171 HydrophobicContact CD1-CE3 4.12Å; I148-W171 HydrophobicContact CD1-CZ3 4.39Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.9Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CH2-CD2 4.44Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.04Å; W157-W171 AromaticContact CZ3-CE3 3.48Å; W157-W171 HydrophobicContact CZ3-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.48Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; T167-W171 HydrophobicContact CG2-CD2 3.91Å; T167-W171 HydrophobicContact CG2-CE3 4.46Å; T167-W171 HydrophobicContact CG2-CG 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 4Å; T167-W171 WeakPolarHBondContact O-CB 2.89Å; T167-W171 PolarHBondContact O-N 3.11Å; K168-W171 PolarHBondContact O-N 3Å; K168-W171 VanDerWaalsContact O-N 3.16Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 3.11Å; W171-H175 PolarHBondContact O-N 3.44Å; W171-H175 VanDerWaalsContact O-N 3.09Å; W171-V176 HydrophobicContact CB-CB 4Å; W171-V176 HydrophobicContact CB-CG2 3.94Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CE3-CG1 4.45Å; W171-V176 HydrophobicContact CG-CB 4.18Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.93Å; W171-V176 PolarHBondContact O-N 2.85Å
172	E	98.4	Very high	98	Very high	77 Å²	77	67.9 Å²	67.9	36%	0.36	36%	0.357	S	S	.	.	H	α-helix	trans	-64.8	-47.7	171.7	-73.3	174.2	161.3	0	0	110.9	K168 H169 A174 H175	K168-E172 WeakPolarHBondContact CE-OE1 3.43Å; K168-E172 HydrophobicContact CG-CG 4.29Å; K168-E172 IonicContact NZ-OE1 3.89Å; K168-E172 WeakPolarHBondContact O-CB 3.42Å; K168-E172 WeakPolarHBondContact O-CG 3.41Å; K168-E172 PolarHBondContact O-N 2.92Å; H169-E172 IonicContact ND1-OE2 3.58Å; E172-A174 PolarHBondContact O-N 3.26Å; E172-H175 PolarHBondContact O-N 2.76Å; E172-H175 VanDerWaalsContact O-N 3.11Å
173	A	98.3	Very high	98	Very high	81 Å²	81	63 Å²	63	67%	0.669	33%	0.33	S	S	*	.	H	α-helix	trans	-63.1	-29.9	177.3	0	0	0	0	0	113.2	H169	H169-A173 VanDerWaalsContact O-CB 3.31Å; H169-A173 WeakPolarHBondContact O-CB 3.36Å; H169-A173 PolarHBondContact O-N 2.88Å
174	A	98	Very high	98.1	Very high	57 Å²	57	62.5 Å²	62.5	47%	0.471	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	5.8	177.5	0	0	0	0	0	113.8	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.09Å; K170-A174 PolarHBondContact O-N 3.19Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 3.11Å; E172-A174 PolarHBondContact O-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.01Å; A174-V176 PolarHBondContact O-N 3Å; A174-V176 VanDerWaalsContact O-N 3.16Å
175	H	97.3	Very high	98.1	Very high	110 Å²	110	66.2 Å²	66.2	51%	0.509	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	34.1	180	-63	-91.8	0	0	0	114.2	W171 E172 A177 E178	W171-H175 PolarHBondContact O-N 3.44Å; W171-H175 VanDerWaalsContact O-N 3.09Å; E172-H175 PolarHBondContact O-N 2.76Å; E172-H175 VanDerWaalsContact O-N 3.11Å; H175-A177 PolarHBondContact O-N 3.12Å; H175-E178 HydrophobicContact CB-CG 4.48Å; H175-E178 IonicContact CE1-OE1 3.71Å; H175-E178 IonicContact CG-OE1 3.71Å; H175-E178 IonicContact ND1-OE1 2.86Å; H175-E178 PolarHBondContact ND1-OE1 2.97Å; H175-E178 PolarHBondContact O-N 3.5Å; H175-E178 VanDerWaalsContact O-N 3.12Å
176	V	98.2	Very high	98.1	Very high	27 Å²	27	64.7 Å²	64.7	16%	0.164	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-34.1	-175.2	175.8	0	0	0	0	111.9	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CZ2-CB 4.36Å; W157-V176 HydrophobicContact CZ2-CG1 4.12Å; W171-V176 HydrophobicContact CB-CB 4Å; W171-V176 HydrophobicContact CB-CG2 3.94Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CE3-CG1 4.45Å; W171-V176 HydrophobicContact CG-CB 4.18Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.93Å; W171-V176 PolarHBondContact O-N 2.85Å; A174-V176 HydrophobicContact CB-CG2 4.01Å; A174-V176 PolarHBondContact O-N 3Å; A174-V176 VanDerWaalsContact O-N 3.16Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 2.77Å; V176-Q179 PolarHBondContact O-N 2.8Å; V176-L180 HydrophobicContact CG1-CD1 3.84Å; V176-L180 HydrophobicContact CG1-CG 4.19Å; V176-L180 WeakPolarHBondContact O-CG 3.22Å; V176-L180 PolarHBondContact O-N 3.15Å; V176-L180 VanDerWaalsContact O-N 3.11Å
177	A	98.3	Very high	98.1	Very high	8 Å²	8	66.7 Å²	66.7	7%	0.066	35%	0.348	C	S	.	.	H	α-helix	trans	-60.2	-35.7	179.2	0	0	0	0	0	112.5	L150 W157 H175 L180 R181	L150-A177 HydrophobicContact CD1-CB 4.05Å; W157-A177 HydrophobicContact CZ2-CB 4.2Å; H175-A177 PolarHBondContact O-N 3.12Å; A177-L180 PolarHBondContact O-N 3.24Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 3.27Å
178	E	97.6	Very high	98.1	Very high	125 Å²	125	66 Å²	66	58%	0.584	34%	0.343	S	S	*	.	H	α-helix	trans	-66.6	-42.2	-179.6	-64.5	174.3	-156.5	0	0	111.7	H175 V176 R181 A182	H175-E178 HydrophobicContact CB-CG 4.48Å; H175-E178 IonicContact CE1-OE1 3.71Å; H175-E178 IonicContact CG-OE1 3.71Å; H175-E178 IonicContact ND1-OE1 2.86Å; H175-E178 PolarHBondContact ND1-OE1 2.97Å; H175-E178 PolarHBondContact O-N 3.5Å; H175-E178 VanDerWaalsContact O-N 3.12Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 2.77Å; E178-R181 PolarHBondContact O-N 3.45Å; E178-A182 PolarHBondContact O-N 3.22Å
179	Q	96.7	Very high	98.1	Very high	142 Å²	142	64.2 Å²	64.2	66%	0.664	34%	0.337	S	S	*	.	H	α-helix	trans	-64.7	-43.8	176.2	-63.9	179.4	-7.9	0	0	111.6	V176 A182 Y183	V176-Q179 PolarHBondContact O-N 2.8Å; Q179-A182 PolarHBondContact O-N 3.15Å; Q179-Y183 PolarHBondContact O-N 2.94Å; Q179-Y183 VanDerWaalsContact O-N 3.15Å
180	L	98	Very high	98	Very high	23 Å²	23	65 Å²	65	12%	0.12	34%	0.34	C	S	.	.	H	α-helix	trans	-66.2	-41.3	178.3	-67.7	175.1	0	0	0	111.5	H138 L150 W157 V176 A177 A182 Y183 L184	H138-L180 HydrophobicContact CB-CD1 4.33Å; H138-L180 VanDerWaalsContact CD2-CD2 3.5Å; H138-L180 WeakPolarHBondContact CD2-CD2 3.49Å; H138-L180 WeakPolarHBondContact NE2-CD2 3.05Å; L150-L180 HydrophobicContact CD2-CB 4.38Å; W157-L180 HydrophobicContact CH2-CD1 3.43Å; W157-L180 VanDerWaalsContact CH2-CD1 3.43Å; W157-L180 HydrophobicContact CZ2-CD1 3.89Å; V176-L180 HydrophobicContact CG1-CD1 3.84Å; V176-L180 HydrophobicContact CG1-CG 4.19Å; V176-L180 WeakPolarHBondContact O-CG 3.22Å; V176-L180 PolarHBondContact O-N 3.15Å; V176-L180 VanDerWaalsContact O-N 3.11Å; A177-L180 PolarHBondContact O-N 3.24Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.22Å; L180-Y183 PolarHBondContact O-N 2.87Å; L180-L184 WeakPolarHBondContact O-CB 3.41Å; L180-L184 WeakPolarHBondContact O-CG 3.21Å; L180-L184 PolarHBondContact O-N 3.14Å
181	R	98.3	Very high	98	Very high	75 Å²	75	62.3 Å²	62.3	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-59.3	-45.7	175.5	-177.5	173.5	-179.4	-135.5	-18.5	111.6	L154 A177 E178 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.1Å; L154-R181 HydrophobicContact CB-CG 3.91Å; L154-R181 HydrophobicContact CD1-CG 4.05Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 3.27Å; E178-R181 PolarHBondContact O-N 3.45Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 3.05Å; R181-L184 PolarHBondContact O-N 3.13Å; R181-E185 HydrophobicContact CG-CG 4.16Å; R181-E185 IonicContact CZ-OE1 3.98Å; R181-E185 IonicContact CZ-OE2 3.11Å; R181-E185 IonicContact NE-OE1 2.94Å; R181-E185 PolarHBondContact NE-OE1 3.09Å; R181-E185 IonicContact NE-OE2 3.91Å; R181-E185 PolarHBondContact NE-OE2 3.16Å; R181-E185 IonicContact NH2-OE1 3.73Å; R181-E185 PolarHBondContact NH2-OE1 2.9Å; R181-E185 VanDerWaalsContact NH2-OE1 3.11Å; R181-E185 IonicContact NH2-OE2 2.92Å; R181-E185 PolarHBondContact NH2-OE2 3.16Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 PolarHBondContact O-N 2.85Å
182	A	98.2	Very high	98	Very high	68 Å²	68	59.7 Å²	59.7	56%	0.562	32%	0.317	S	S	*	.	H	α-helix	trans	-59.3	-42.8	177.4	0	0	0	0	0	112.3	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 3.22Å; Q179-A182 PolarHBondContact O-N 3.15Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.22Å; A182-G186 PolarHBondContact O-N 3.2Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	98.1	Very high	97.9	Very high	56 Å²	56	61.4 Å²	61.4	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-65.8	-46.6	174.8	170.6	-97.5	0	0	0	112.5	Y123 Q179 L180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.94Å; Y123-Y183 HydrophobicContact CD2-CE1 3.94Å; Y123-Y183 AromaticContact CE2-CE1 3.87Å; Y123-Y183 HydrophobicContact CE2-CE1 3.87Å; Q179-Y183 PolarHBondContact O-N 2.94Å; Q179-Y183 VanDerWaalsContact O-N 3.15Å; L180-Y183 PolarHBondContact O-N 2.87Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 3.05Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.29Å; Y183-E187 HydrophobicContact CD2-CB 3.8Å; Y183-E187 HydrophobicContact CE2-CB 4.02Å; Y183-E187 PolarHBondContact O-N 2.97Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.01Å; Y183-C188 PolarHBondContact O-N 2.6Å
184	L	98.6	Very high	97.8	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-69.4	-40.8	-174.1	-71.2	171.3	0	0	0	112.7	G124 F133 L150 L154 L180 R181	G124-L184 VanDerWaalsContact O-CD2 3.22Å; G124-L184 WeakPolarHBondContact O-CD2 3.43Å; F133-L184 WeakPolarHBondContact CD2-O 3.39Å; F133-L184 HydrophobicContact CE2-CB 4.42Å; F133-L184 WeakPolarHBondContact CE2-O 3.44Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å; L154-L184 HydrophobicContact CD2-CD1 4.16Å; L180-L184 WeakPolarHBondContact O-CB 3.41Å; L180-L184 WeakPolarHBondContact O-CG 3.21Å; L180-L184 PolarHBondContact O-N 3.14Å; R181-L184 PolarHBondContact O-N 3.13Å
185	E	98.1	Very high	97.8	Very high	77 Å²	77	60.7 Å²	60.7	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-80	-22.5	178	-67.2	-178.3	177.3	0	0	112.6	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.05Å; F133-E185 HydrophobicContact CD2-CG 4.46Å; F133-E185 HydrophobicContact CE1-CG 3.92Å; F133-E185 HydrophobicContact CE2-CG 4.33Å; F133-E185 HydrophobicContact CG-CG 4.31Å; F133-E185 HydrophobicContact CZ-CG 4.06Å; L154-E185 HydrophobicContact CD1-CG 4.03Å; R181-E185 HydrophobicContact CG-CG 4.16Å; R181-E185 IonicContact CZ-OE1 3.98Å; R181-E185 IonicContact CZ-OE2 3.11Å; R181-E185 IonicContact NE-OE1 2.94Å; R181-E185 PolarHBondContact NE-OE1 3.09Å; R181-E185 IonicContact NE-OE2 3.91Å; R181-E185 PolarHBondContact NE-OE2 3.16Å; R181-E185 IonicContact NH2-OE1 3.73Å; R181-E185 PolarHBondContact NH2-OE1 2.9Å; R181-E185 VanDerWaalsContact NH2-OE1 3.11Å; R181-E185 IonicContact NH2-OE2 2.92Å; R181-E185 PolarHBondContact NH2-OE2 3.16Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 PolarHBondContact O-N 2.85Å
186	G	97.9	Very high	97.7	Very high	25 Å²	25	55.5 Å²	55.5	26%	0.258	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-96.7	-176.7	0	0	0	0	0	113.1	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.2Å; A182-G186 VanDerWaalsContact O-N 3.12Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.29Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 2.81Å; G186-C188 VanDerWaalsContact O-N 3.13Å; G186-V189 WeakPolarHBondContact O-CB 3.33Å; G186-V189 PolarHBondContact O-N 3.18Å; G186-E190 PolarHBondContact O-N 3.33Å
187	E	97.8	Very high	97.6	Very high	100 Å²	100	60.1 Å²	60.1	47%	0.467	28%	0.284	S	S	.	.	H	α-helix	trans	-51.5	-41.1	-171.8	-71.1	-176.8	-142.4	0	0	113.5	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.8Å; Y183-E187 HydrophobicContact CE2-CB 4.02Å; Y183-E187 PolarHBondContact O-N 2.97Å; E187-V189 VanDerWaalsContact C-N 3.33Å; E187-V189 PolarHBondContact O-N 3.25Å; E187-E190 PolarHBondContact O-N 3Å; E187-W191 WeakPolarHBondContact O-CB 3.38Å; E187-W191 PolarHBondContact O-N 3.17Å
188	C	98.4	Very high	97.5	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-45.2	179.2	-174.5	0	0	0	0	111.7	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 VanDerWaalsContact CE-O 3.26Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.24Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 2.88Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.93Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.01Å; Y183-C188 PolarHBondContact O-N 2.6Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 2.81Å; G186-C188 VanDerWaalsContact O-N 3.13Å; C188-L192 WeakPolarHBondContact O-CB 3.25Å; C188-L192 PolarHBondContact O-N 2.89Å
189	V	98.3	Very high	97.4	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-40.4	178.8	173.4	0	0	0	0	110.9	V127 F133 G186 E187 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.37Å; V127-V189 HydrophobicContact CG1-CG1 3.83Å; V127-V189 HydrophobicContact CG1-CG2 4.02Å; F133-V189 HydrophobicContact CB-CG2 4.08Å; F133-V189 HydrophobicContact CD2-CG2 3.76Å; F133-V189 HydrophobicContact CG-CG2 4.41Å; G186-V189 WeakPolarHBondContact O-CB 3.33Å; G186-V189 PolarHBondContact O-N 3.18Å; E187-V189 VanDerWaalsContact C-N 3.33Å; E187-V189 PolarHBondContact O-N 3.25Å; V189-L192 PolarHBondContact O-N 2.84Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 3.43Å
190	E	97.9	Very high	97.2	Very high	130 Å²	130	54.7 Å²	54.7	61%	0.607	26%	0.257	S	S	*	.	H	α-helix	trans	-62.3	-46.2	177.2	-68.4	-179.2	170.2	0	0	111.9	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.33Å; E187-E190 PolarHBondContact O-N 3Å; E190-R193 PolarHBondContact O-N 2.9Å; E190-R194 PolarHBondContact O-N 3.23Å
191	W	97.9	Very high	96.9	Very high	64 Å²	64	62.1 Å²	62.1	24%	0.242	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-44.6	175.8	-80.9	113.2	0	0	0	112.2	M29 Y83 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.35Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.4Å; Y83-W191 AromaticContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CE2-CE3 4.29Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 AromaticContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CZ3 3.72Å; E187-W191 WeakPolarHBondContact O-CB 3.38Å; E187-W191 PolarHBondContact O-N 3.17Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.49Å; W191-R194 PolarHBondContact O-N 3.48Å; W191-Y195 HydrophobicContact CB-CE2 4.06Å; W191-Y195 HydrophobicContact CE3-CD1 4.48Å; W191-Y195 AromaticContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE2 4.44Å; W191-Y195 AromaticContact CE3-CZ 3.53Å; W191-Y195 VanDerWaalsContact CE3-OH 3.31Å; W191-Y195 HydrophobicContact CZ3-CE1 4.01Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 2.88Å
192	L	98.1	Very high	96.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-44.5	177.5	177	51.4	0	0	0	111.4	M29 V52 V127 C188 V189 R194 Y195 L196	M29-L192 HydrophobicContact CB-CB 4.14Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.18Å; M29-L192 HydrophobicContact CB-CG 4.33Å; V52-L192 HydrophobicContact CG1-CD1 3.64Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V127-L192 HydrophobicContact CB-CD2 4.42Å; V127-L192 HydrophobicContact CG1-CD2 3.97Å; V127-L192 HydrophobicContact CG2-CD2 3.71Å; V127-L192 HydrophobicContact CG2-CG 4.29Å; C188-L192 WeakPolarHBondContact O-CB 3.25Å; C188-L192 PolarHBondContact O-N 2.89Å; V189-L192 PolarHBondContact O-N 2.84Å; L192-R194 PolarHBondContact O-N 3.24Å; L192-Y195 PolarHBondContact O-N 3.22Å; L192-L196 HydrophobicContact CD1-CD1 3.48Å; L192-L196 VanDerWaalsContact CD1-CD1 3.48Å; L192-L196 HydrophobicContact CD1-CG 3.91Å; L192-L196 HydrophobicContact CG-CD1 3.73Å; L192-L196 WeakPolarHBondContact O-CB 3.31Å; L192-L196 WeakPolarHBondContact O-CD1 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.4Å; L192-L196 PolarHBondContact O-N 3.29Å
193	R	96.1	Very high	96.4	Very high	112 Å²	112	57.7 Å²	57.7	42%	0.423	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-45.4	174.8	-73.4	175.6	-175.6	178.7	3.1	112.2	W131 V189 E190 W191 Y195 L196 E197	W131-R193 HydrophobicContact CE3-CG 4.03Å; W131-R193 VanDerWaalsContact O-CZ 3.3Å; W131-R193 PolarHBondContact O-NE 3.01Å; W131-R193 VanDerWaalsContact O-NE 3.09Å; W131-R193 PolarHBondContact O-NH2 3.14Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 3.43Å; E190-R193 PolarHBondContact O-N 2.9Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.49Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 3.02Å; R193-E197 PolarHBondContact O-N 3.05Å
194	R	96.6	Very high	96.1	Very high	123 Å²	123	58.2 Å²	58.2	46%	0.464	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-45.3	176.9	179.9	179.4	174.6	116.4	-4.6	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.51Å; E79-R194 IonicContact OE1-NE 2.83Å; E79-R194 PolarHBondContact OE1-NE 3.07Å; E79-R194 IonicContact OE1-NH2 3.7Å; E79-R194 PolarHBondContact OE1-NH2 3.5Å; E79-R194 IonicContact OE2-CZ 3.42Å; E79-R194 IonicContact OE2-NE 3.39Å; E79-R194 IonicContact OE2-NH2 3.23Å; E79-R194 PolarHBondContact OE2-NH2 2.91Å; E190-R194 PolarHBondContact O-N 3.23Å; W191-R194 PolarHBondContact O-N 3.48Å; L192-R194 PolarHBondContact O-N 3.24Å; R194-E197 PolarHBondContact O-N 3.15Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.34Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.42Å
195	Y	97.3	Very high	95.8	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-38.4	179.1	-61.2	-26.4	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.78Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; F57-Y195 HydrophobicContact CE2-CD2 4.25Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 AromaticContact CE2-CZ 4Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å; W75-Y195 HydrophobicContact CH2-CG 4.37Å; W75-Y195 AromaticContact CZ3-CD1 4Å; W75-Y195 HydrophobicContact CZ3-CD1 4Å; W75-Y195 AromaticContact CZ3-CG 3.85Å; W75-Y195 HydrophobicContact CZ3-CG 3.85Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.38Å; Y83-Y195 HydrophobicContact CE2-CE1 4.39Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.22Å; Y83-Y195 PolarHBondContact OH-OH 3.12Å; W191-Y195 HydrophobicContact CB-CE2 4.06Å; W191-Y195 HydrophobicContact CE3-CD1 4.48Å; W191-Y195 AromaticContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE2 4.44Å; W191-Y195 AromaticContact CE3-CZ 3.53Å; W191-Y195 VanDerWaalsContact CE3-OH 3.31Å; W191-Y195 HydrophobicContact CZ3-CE1 4.01Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 2.88Å; L192-Y195 PolarHBondContact O-N 3.22Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 2.85Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.11Å; Y195-N198 PolarHBondContact O-N 3.21Å; Y195-G199 PolarHBondContact O-N 2.65Å; Y195-L203 WeakPolarHBondContact O-CD1 3.16Å
196	L	95.4	Very high	95.5	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.2	-31.9	176.1	-75	163.5	0	0	0	112.7	H27 V52 W131 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.46Å; H27-L196 VanDerWaalsContact CB-CD1 3.46Å; H27-L196 HydrophobicContact CB-CD2 4.22Å; H27-L196 HydrophobicContact CB-CG 4.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.29Å; V52-L196 HydrophobicContact CG1-CD2 3.99Å; V52-L196 HydrophobicContact CG1-CG 4.27Å; W131-L196 HydrophobicContact CE3-CD1 4.23Å; W131-L196 HydrophobicContact CH2-CB 4.04Å; W131-L196 HydrophobicContact CH2-CD1 4.14Å; W131-L196 HydrophobicContact CZ3-CB 3.71Å; W131-L196 HydrophobicContact CZ3-CD1 3.37Å; W131-L196 HydrophobicContact CZ3-CG 4.11Å; L192-L196 HydrophobicContact CD1-CD1 3.48Å; L192-L196 VanDerWaalsContact CD1-CD1 3.48Å; L192-L196 HydrophobicContact CD1-CG 3.91Å; L192-L196 HydrophobicContact CG-CD1 3.73Å; L192-L196 WeakPolarHBondContact O-CB 3.31Å; L192-L196 WeakPolarHBondContact O-CD1 3.41Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.4Å; L192-L196 PolarHBondContact O-N 3.29Å; R193-L196 PolarHBondContact O-N 3.02Å; L196-K200 WeakPolarHBondContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CB 2.87Å; L196-K200 PolarHBondContact O-N 2.69Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 3.87Å; L196-L203 HydrophobicContact CD2-CD1 4.11Å; L196-Q204 HydrophobicContact CD2-CG 4.37Å; L196-Q204 PolarHBondContact O-NE2 3.19Å
197	E	95.2	Very high	95.4	Very high	125 Å²	125	62.4 Å²	62.4	58%	0.584	29%	0.285	S	S	*	.	H	α-helix	trans	-72.3	-49.4	171.7	-171.3	60.6	-151.9	0	0	111	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.05Å; R194-E197 PolarHBondContact O-N 3.15Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.11Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 3.32Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 2.86Å
198	N	96.2	Very high	95.4	Very high	48 Å²	48	59.9 Å²	59.9	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-57.1	-40.9	178	-79.5	5.3	0	0	0	112.8	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.42Å; Q78-N198 PolarHBondContact NE2-ND2 3.14Å; E79-N198 PolarHBondContact OE1-ND2 3.41Å; E79-N198 VanDerWaalsContact OE1-ND2 3.12Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.34Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.42Å; Y195-N198 PolarHBondContact O-N 3.21Å
199	G	95.6	Very high	95.4	Very high	2 Å²	2	60.2 Å²	60.2	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	18.8	-176.1	0	0	0	0	0	113.9	Y195 E197 E201 T202 L203	Y195-G199 PolarHBondContact O-N 2.65Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 3.32Å; G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 2.89Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 PolarHBondContact O-N 3.24Å; G199-L203 PolarHBondContact O-N 2.9Å
200	K	93.4	Very high	95.3	Very high	110 Å²	110	66.7 Å²	66.7	48%	0.478	31%	0.311	S	S	.	.	H	α-helix	trans	-48.2	-45.6	-171.3	-177.7	173.5	-175.2	172.2	0	114.2	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CB 2.87Å; L196-K200 PolarHBondContact O-N 2.69Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 2.86Å; K200-T202 PolarHBondContact O-N 2.81Å; K200-Q204 WeakPolarHBondContact O-CB 3.47Å; K200-Q204 PolarHBondContact O-N 3.05Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
201	E	92.3	Very high	95.3	Very high	179 Å²	179	62.2 Å²	62.2	84%	0.836	29%	0.293	S	S	*	.	H	α-helix	trans	-65.3	-23.8	-179.6	-62.6	-175.3	168.7	0	0	113.7	G199	G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 2.89Å; G199-E201 VanDerWaalsContact O-N 3.14Å
202	T	92.3	Very high	95.2	Very high	46 Å²	46	63 Å²	63	28%	0.282	30%	0.3	S	S	.	.	H	α-helix	trans	-103.3	-43	-178.3	-54.8	0	0	0	0	112.4	G199 K200 R205	G199-T202 PolarHBondContact O-N 3.24Å; K200-T202 PolarHBondContact O-N 2.81Å; T202-R205 WeakPolarHBondContact O-CD 3.34Å; T202-R205 VanDerWaalsContact O-CG 3.29Å; T202-R205 WeakPolarHBondContact O-CG 3.45Å; T202-R205 PolarHBondContact O-NE 2.92Å
203	L	92.7	Very high	95	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-84.6	-31.3	-172	-63.2	172	0	0	0	112.6	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.15Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; T55-L203 HydrophobicContact CG2-CD2 4.07Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.25Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.16Å; L196-L203 HydrophobicContact CD2-CB 3.87Å; L196-L203 HydrophobicContact CD2-CD1 4.11Å; G199-L203 PolarHBondContact O-N 2.9Å
204	Q	91.1	Very high	95	Very high	67 Å²	67	61.1 Å²	61.1	31%	0.313	30%	0.298	S	S	.	.	S	Bend	trans	-102.6	15.2	179.1	-55.5	179	38.5	0	0	112.1	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.37Å; L196-Q204 PolarHBondContact O-NE2 3.19Å; K200-Q204 WeakPolarHBondContact O-CB 3.47Å; K200-Q204 PolarHBondContact O-N 3.05Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
205	R	92.6	Very high	94.9	Very high	79 Å²	79	58.4 Å²	58.4	30%	0.298	29%	0.291	S	S	.	.			trans	-80.6	157.8	171.8	81.3	-171.8	171.6	-179.2	3.8	109.9	T202 D207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.34Å; T202-R205 VanDerWaalsContact O-CG 3.29Å; T202-R205 WeakPolarHBondContact O-CG 3.45Å; T202-R205 PolarHBondContact O-NE 2.92Å; R205-D207 IonicContact CZ-OD2 2.76Å; R205-D207 IonicContact NE-OD2 3.72Å; R205-D207 PolarHBondContact NE-OD2 2.81Å; R205-Y233 HydrophobicContact CG-CD1 3.84Å; R205-Y233 HydrophobicContact CG-CE1 4.26Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å
206	T	93.4	Very high	94.6	Very high	58 Å²	58	62.6 Å²	62.6	36%	0.356	31%	0.31	S	S	.	.			trans	-135.3	117.8	171.1	-35.1	0	0	0	0	108.9	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.49Å; T206-Y233 WeakPolarHBondContact CG2-O 3.22Å; T206-E288 HydrophobicContact CG2-CB 3.95Å; T206-E288 HydrophobicContact CG2-CG 4.05Å
207	D	95.3	Very high	94.5	Very high	55 Å²	55	66.4 Å²	66.4	29%	0.294	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-106.2	114.6	-179.4	-63.2	-38.1	0	0	0	108.5	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 2.76Å; R205-D207 IonicContact NE-OD2 3.72Å; R205-D207 PolarHBondContact NE-OD2 2.81Å; D207-F232 VanDerWaalsContact O-CA 3.25Å; D207-F232 WeakPolarHBondContact O-CA 3.47Å; D207-F232 WeakPolarHBondContact O-CB 3.05Å; D207-Y233 PolarHBondContact N-O 3.49Å; D207-Y233 PolarHBondContact O-N 3.36Å; D207-Y233 VanDerWaalsContact O-N 3.13Å; D207-H287 PolarHBondContact O-CE1 2.75Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å
208	A	97.1	Very high	94.2	Very high	47 Å²	47	64.8 Å²	64.8	39%	0.388	34%	0.34	S	S	.	.			trans	-65.7	141.1	-179.8	0	0	0	0	0	111.7	K210 G289 L290	A208-K210 PolarHBondContact O-N 2.96Å; A208-G289 WeakPolarHBondContact CB-O 3.5Å; A208-L290 HydrophobicContact CB-CD2 4Å
209	P	97.9	Very high	93.9	Very high	8 Å²	8	65 Å²	65	5%	0.052	35%	0.346	C	S	.	.			trans	-65	130.3	179.3	26.6	-34.7	0	0	0	112.3	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.11Å; P209-T211 HydrophobicContact CG-CG2 4.32Å; P209-T211 PolarHBondContact O-N 3.42Å; P209-A229 HydrophobicContact CB-CB 3.89Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.15Å; P209-I237 HydrophobicContact CB-CD1 4.08Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.99Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.38Å; P209-L290 HydrophobicContact CG-CG 4.15Å
210	K	97.9	Very high	93.5	Very high	142 Å²	142	72.1 Å²	72.1	62%	0.617	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	108.9	164.5	-65.5	176.4	-173.9	167.4	0	107.9	A208 L230	A208-K210 PolarHBondContact O-N 2.96Å; K210-L230 HydrophobicContact CB-CB 4.49Å; K210-L230 PolarHBondContact N-O 2.9Å; K210-L230 PolarHBondContact O-N 3.32Å
211	T	97.3	Very high	93.4	Very high	37 Å²	37	73.7 Å²	73.7	23%	0.227	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.2	-175	57	0	0	0	0	112.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.11Å; P209-T211 HydrophobicContact CG-CG2 4.32Å; P209-T211 PolarHBondContact O-N 3.42Å; T211-W228 WeakPolarHBondContact CA-O 3.37Å; T211-W228 WeakPolarHBondContact CB-O 3.5Å; T211-A229 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.27Å; T211-V285 HydrophobicContact CG2-CG2 4.11Å; T211-L294 HydrophobicContact CG2-CD1 4.44Å; T211-L296 HydrophobicContact CG2-CD1 4.09Å
212	H	94.8	Very high	93.5	Very high	81 Å²	81	69.5 Å²	69.5	38%	0.375	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	165.1	170.9	69.5	-77.9	0	0	0	110.2	W228	H212-W228 AromaticContact CD2-CD1 3.89Å; H212-W228 WeakPolarHBondContact CE1-CB 3.38Å; H212-W228 AromaticContact CE1-CD1 3.72Å; H212-W228 AromaticContact CE1-CG 3.45Å; H212-W228 VanDerWaalsContact CE1-CG 3.45Å; H212-W228 PolarHBondContact N-O 3.43Å; H212-W228 AromaticContact NE2-CD1 3.36Å; H212-W228 AromaticContact NE2-CG 3.58Å; H212-W228 AromaticContact NE2-NE1 3.9Å; H212-W228 PolarHBondContact O-N 3.32Å
213	M	95.4	Very high	93.6	Very high	36 Å²	36	67.4 Å²	67.4	18%	0.177	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.6	177.2	-69.7	172.6	97.8	0	0	110.6	R226 W241 C283 L296 W298	M213-R226 CarbonylContact C-O 3.58Å; M213-R226 WeakPolarHBondContact CA-O 3.43Å; M213-W241 HydrophobicContact CE-CH2 3.11Å; M213-W241 HydrophobicContact CE-CZ2 4.03Å; M213-W241 HydrophobicContact CE-CZ3 3.61Å; M213-C283 HydrophobicContact CE-CB 4.28Å; M213-L296 HydrophobicContact CG-CB 4.3Å; M213-L296 HydrophobicContact SD-CB 3.63Å; M213-W298 HydrophobicContact CE-CB 4.22Å; M213-W298 HydrophobicContact SD-CB 4.35Å; M213-W298 PolarHBondContact SD-N 3.27Å
214	T	94.6	Very high	93.8	Very high	35 Å²	35	68.3 Å²	68.3	22%	0.215	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.3	172.9	50.7	0	0	0	0	109.1	L225 R226 W228	T214-L225 WeakPolarHBondContact O-CA 3.3Å; T214-R226 PolarHBondContact N-O 3.14Å; T214-R226 PolarHBondContact O-N 3.03Å; T214-R226 WeakPolarHBondContact OG1-CB 3.42Å; T214-R226 PolarHBondContact OG1-O 2.72Å; T214-W228 PolarHBondContact OG1-NE1 3.47Å
215	H	94.3	Very high	94	Very high	67 Å²	67	65.1 Å²	65.1	31%	0.31	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.2	178.4	165.6	-77.9	0	0	0	108.6	A223 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-W298 HydrophobicContact CB-CZ2 4.21Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å
216	H	92.8	Very high	94.3	Very high	88 Å²	88	63.7 Å²	63.7	41%	0.407	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.2	178.2	-60.3	-74.1	0	0	0	109	V218 A223 T224 R226	H216-V218 PolarHBondContact O-N 3.42Å; H216-A223 CarbonylContact O-C 3.53Å; H216-A223 VanDerWaalsContact O-CA 3.31Å; H216-A223 WeakPolarHBondContact O-CA 3.37Å; H216-T224 PolarHBondContact N-O 2.92Å; H216-T224 PolarHBondContact O-N 3Å; H216-R226 PolarHBondContact CD2-NH1 3.13Å; H216-R226 PolarHBondContact NE2-NH1 3.12Å; H216-R226 VanDerWaalsContact NE2-NH1 3.12Å
217	A	91.4	Very high	94.5	Very high	80 Å²	80	61 Å²	61	66%	0.661	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	127.2	172.9	0	0	0	0	0	109.4
218	V	89.3	Confident	94.6	Very high	92 Å²	92	60.5 Å²	60.5	56%	0.558	32%	0.322	S	S	*	.			trans	-98.1	-41.3	176.6	-179.5	0	0	0	0	109.5	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.42Å; V218-E222 PolarHBondContact N-O 3.4Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.04Å
219	S	90.2	Very high	94.7	Very high	53 Å²	53	58.2 Å²	58.2	37%	0.371	30%	0.304	S	S	.	.	S	Bend	trans	-149.4	-178.6	174.7	71.1	0	0	0	0	110.5	H221 E222	S219-H221 PolarHBondContact O-N 3.12Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.97Å; S219-E222 PolarHBondContact N-O 2.76Å; S219-E222 VanDerWaalsContact O-O 3.06Å; S219-E222 PolarHBondContact OG-N 3.35Å
220	D	87.3	Confident	94.7	Very high	151 Å²	151	60.1 Å²	60.1	81%	0.807	31%	0.313	S	S	*	.	S	Bend	trans	-66.2	-9.6	172.6	-65	-23.8	0	0	0	113.4
221	H	91.5	Very high	94.7	Very high	142 Å²	142	55.2 Å²	55.2	66%	0.657	30%	0.297	S	S	*	.	S	Bend	trans	-115.5	-15.5	-176.3	-56.5	-41.2	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.12Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.97Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.12Å; H221-S275 PolarHBondContact O-N 2.91Å; H221-S275 PolarHBondContact O-OG 2.8Å
222	E	94.2	Very high	94.7	Very high	92 Å²	92	53.5 Å²	53.5	43%	0.43	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.7	-171.1	-66.2	-180	175.9	0	0	112.3	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.4Å; S219-E222 PolarHBondContact N-O 2.76Å; S219-E222 VanDerWaalsContact O-O 3.06Å; S219-E222 PolarHBondContact OG-N 3.35Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.34Å; E222-S275 PolarHBondContact N-OG 3.02Å
223	A	94.4	Very high	94.7	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.8	171.4	0	0	0	0	0	110.5	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H216-A223 CarbonylContact O-C 3.53Å; H216-A223 VanDerWaalsContact O-CA 3.31Å; H216-A223 WeakPolarHBondContact O-CA 3.37Å; A223-V272 WeakPolarHBondContact O-CA 3.29Å; A223-V273 HydrophobicContact CB-CG2 4.35Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 WeakPolarHBondContact O-CG2 3.29Å; A223-V273 PolarHBondContact O-N 2.72Å
224	T	96.3	Very high	94.6	Very high	23 Å²	23	49 Å²	49	14%	0.141	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.4	167.9	-55	0	0	0	0	108.8	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.92Å; H216-T224 PolarHBondContact O-N 3Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.04Å; T224-A270 HydrophobicContact CG2-CB 3.9Å; T224-V271 WeakPolarHBondContact CA-O 3.33Å
225	L	96.8	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129	164.6	-63.5	-178.9	0	0	0	108.8	T214 H215 W241 A270 V271 V273 E278 W298	T214-L225 WeakPolarHBondContact O-CA 3.3Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.53Å; L225-W241 HydrophobicContact CB-CZ2 3.9Å; L225-W241 HydrophobicContact CB-CZ3 4.45Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.28Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.46Å; L225-V271 HydrophobicContact CB-CG1 4.38Å; L225-V271 PolarHBondContact N-O 2.95Å; L225-V271 PolarHBondContact O-N 2.86Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.82Å; L225-E278 HydrophobicContact CD1-CB 4.06Å; L225-E278 HydrophobicContact CD1-CG 4.42Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; L225-W298 HydrophobicContact CD1-CB 4.24Å; L225-W298 HydrophobicContact CD2-CB 3.96Å; L225-W298 HydrophobicContact CD2-CD2 4.32Å; L225-W298 HydrophobicContact CD2-CG 3.8Å
226	R	97.4	Very high	94.7	Very high	50 Å²	50	50.1 Å²	50.1	19%	0.189	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.9	175.7	179.7	-174.7	-59.3	114.9	-0.2	110.4	M213 T214 H216 W228 W268 A269 A270	M213-R226 CarbonylContact C-O 3.58Å; M213-R226 WeakPolarHBondContact CA-O 3.43Å; T214-R226 PolarHBondContact N-O 3.14Å; T214-R226 PolarHBondContact O-N 3.03Å; T214-R226 WeakPolarHBondContact OG1-CB 3.42Å; T214-R226 PolarHBondContact OG1-O 2.72Å; H216-R226 PolarHBondContact CD2-NH1 3.13Å; H216-R226 PolarHBondContact NE2-NH1 3.12Å; H216-R226 VanDerWaalsContact NE2-NH1 3.12Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.26Å; R226-A269 WeakPolarHBondContact CA-O 3.15Å; R226-A270 HydrophobicContact CB-CB 3.94Å; R226-A270 HydrophobicContact CG-CB 4.1Å
227	C	97.8	Very high	94.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123	176.5	-176.8	0	0	0	0	109.4	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.78Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.33Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.28Å; C227-A269 PolarHBondContact N-O 3.37Å; C227-A269 PolarHBondContact O-N 3.4Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.38Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.86Å
228	W	98.2	Very high	95.1	Very high	45 Å²	45	44.6 Å²	44.6	17%	0.17	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141	-179	-67.9	88.6	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.37Å; T211-W228 WeakPolarHBondContact CB-O 3.5Å; H212-W228 AromaticContact CD2-CD1 3.89Å; H212-W228 WeakPolarHBondContact CE1-CB 3.38Å; H212-W228 AromaticContact CE1-CD1 3.72Å; H212-W228 AromaticContact CE1-CG 3.45Å; H212-W228 VanDerWaalsContact CE1-CG 3.45Å; H212-W228 PolarHBondContact N-O 3.43Å; H212-W228 AromaticContact NE2-CD1 3.36Å; H212-W228 AromaticContact NE2-CG 3.58Å; H212-W228 AromaticContact NE2-NE1 3.9Å; H212-W228 PolarHBondContact O-N 3.32Å; T214-W228 PolarHBondContact OG1-NE1 3.47Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.97Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.83Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.26Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å
229	A	98.4	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.7	163	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.89Å; T211-A229 HydrophobicContact CG2-CB 4.38Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.88Å; A229-F232 WeakPolarHBondContact O-CE1 3.21Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.09Å; A229-L239 HydrophobicContact CB-CD2 4.24Å; A229-Q266 CarbonylContact O-C 3.54Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.27Å; A229-K267 PolarHBondContact N-O 3.37Å; A229-K267 PolarHBondContact O-N 2.94Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.2	Very high	95.8	Very high	47 Å²	47	40 Å²	40	25%	0.246	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.2	-175.2	-59.3	179	0	0	0	111.2	K210 W228 F232 Q266	K210-L230 HydrophobicContact CB-CB 4.49Å; K210-L230 PolarHBondContact N-O 2.9Å; K210-L230 PolarHBondContact O-N 3.32Å; W228-L230 HydrophobicContact CE3-CD2 3.97Å; L230-F232 VanDerWaalsContact C-N 3.32Å; L230-F232 PolarHBondContact O-N 3.33Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	S	97.4	Very high	96.2	Very high	40 Å²	40	32.9 Å²	32.9	28%	0.28	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.4	43.4	171.4	-55.4	0	0	0	0	113.9	F265	S231-F265 PolarHBondContact N-O 2.98Å
232	F	97.2	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	157.7	177.1	60.6	-91	0	0	0	112.5	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 VanDerWaalsContact O-CA 3.25Å; D207-F232 WeakPolarHBondContact O-CA 3.47Å; D207-F232 WeakPolarHBondContact O-CB 3.05Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.15Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.88Å; A229-F232 WeakPolarHBondContact O-CE1 3.21Å; L230-F232 VanDerWaalsContact C-N 3.32Å; L230-F232 PolarHBondContact O-N 3.33Å; F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; F232-I237 HydrophobicContact CD1-CD1 3.93Å; F232-I237 HydrophobicContact CD2-CB 4.34Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 4.04Å; F232-I237 HydrophobicContact CZ-CB 4.09Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; F232-T264 WeakPolarHBondContact O-CA 3.45Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.17Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.32Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.63Å; F232-F265 PolarHBondContact N-O 3.26Å; F232-F265 PolarHBondContact O-N 3.19Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.16Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.63Å
233	Y	95.2	Very high	96.6	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.012	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-151.9	135.3	173.9	-179.8	-84.5	0	0	0	109.2	T55 R205 T206 D207 G263 F265 H287	T55-Y233 PolarHBondContact OG1-OH 3.36Å; R205-Y233 HydrophobicContact CG-CD1 3.84Å; R205-Y233 HydrophobicContact CG-CE1 4.26Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å; T206-Y233 WeakPolarHBondContact CA-O 3.49Å; T206-Y233 WeakPolarHBondContact CG2-O 3.22Å; D207-Y233 PolarHBondContact N-O 3.49Å; D207-Y233 PolarHBondContact O-N 3.36Å; D207-Y233 VanDerWaalsContact O-N 3.13Å; Y233-G263 WeakPolarHBondContact CD2-O 3.45Å; Y233-F265 HydrophobicContact CD2-CD2 4.39Å; Y233-F265 AromaticContact CD2-CE2 3.91Å; Y233-F265 HydrophobicContact CD2-CE2 3.91Å; Y233-F265 HydrophobicContact CE2-CE2 4.33Å; Y233-H287 PolarHBondContact O-CE1 3.4Å
234	P	94.1	Very high	96.5	Very high	21 Å²	21	32.3 Å²	32.3	14%	0.136	16%	0.164	C	C	.	.	S	Bend	cis	-75.3	179.6	4.4	31.9	-37.3	0	0	0	113.4	F232 E236 H287	F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; P234-E236 VanDerWaalsContact C-N 3.29Å; P234-E236 PolarHBondContact O-N 3.24Å; P234-H287 PolarHBondContact O-NE2 3.04Å
235	A	95.6	Very high	96.3	Very high	13 Å²	13	33.6 Å²	33.6	11%	0.107	18%	0.181	C	C	.	.	S	Bend	trans	-69.1	-25.8	-175.4	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.15Å; D54-A235 VanDerWaalsContact CG-CB 3.46Å; D54-A235 VanDerWaalsContact OD2-CB 3.26Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 3.48Å; A235-I237 PolarHBondContact O-N 3.18Å; A235-T257 HydrophobicContact CB-CG2 4.19Å; A235-T257 WeakPolarHBondContact O-CG2 3.48Å; A235-F265 HydrophobicContact CB-CD1 3.65Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.65Å; A235-F265 HydrophobicContact CB-CE2 3.71Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	94.8	Very high	96.1	Very high	111 Å²	111	39.8 Å²	39.8	52%	0.519	21%	0.21	S	C	.	.			trans	-65.8	115.7	-178.2	-148.7	20.7	-108.5	0	0	109.2	W23 P234 H287	W23-E236 HydrophobicContact CD2-CG 4.37Å; W23-E236 HydrophobicContact CE3-CB 4.06Å; W23-E236 HydrophobicContact CE3-CG 3.76Å; W23-E236 HydrophobicContact CH2-CB 4.24Å; W23-E236 HydrophobicContact CH2-CG 3.44Å; W23-E236 VanDerWaalsContact CH2-CG 3.44Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.46Å; W23-E236 HydrophobicContact CZ2-CG 4.05Å; W23-E236 HydrophobicContact CZ3-CB 3.64Å; W23-E236 HydrophobicContact CZ3-CG 3.3Å; P234-E236 VanDerWaalsContact C-N 3.29Å; P234-E236 PolarHBondContact O-N 3.24Å; E236-H287 PolarHBondContact O-CD2 3.25Å
237	I	95.9	Very high	96	Very high	8 Å²	8	42 Å²	42	4%	0.041	23%	0.226	C	C	.	.			trans	-152.9	142.5	-176.6	-164.6	171.1	0	0	0	109.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.08Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.93Å; F232-I237 HydrophobicContact CD2-CB 4.34Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 4.04Å; F232-I237 HydrophobicContact CZ-CB 4.09Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; A235-I237 PolarHBondContact O-N 3.18Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.68Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.19Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.35Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.04Å
238	T	96.6	Very high	95.8	Very high	44 Å²	44	42.7 Å²	42.7	27%	0.27	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.9	175	-61.3	0	0	0	0	110.6	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T238-V285 WeakPolarHBondContact O-CA 3.38Å; T238-Q286 PolarHBondContact N-O 3.48Å; T238-Q286 PolarHBondContact O-N 3.43Å
239	L	97.3	Very high	95.2	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122	172.4	-85.6	62.1	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.09Å; A229-L239 HydrophobicContact CB-CD2 4.24Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.68Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; L239-L254 HydrophobicContact CB-CD1 4.09Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; L239-H284 WeakPolarHBondContact CA-O 3.27Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	96.4	Very high	94.6	Very high	41 Å²	41	54.8 Å²	54.8	25%	0.252	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150	176	59.4	0	0	0	0	111.8	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.4Å; T240-H284 PolarHBondContact N-O 2.9Å; T240-H284 PolarHBondContact O-N 2.67Å
241	W	97.2	Very high	93.9	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.011	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.3	171.5	-82	102.7	0	0	0	110.5	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.11Å; M213-W241 HydrophobicContact CE-CZ2 4.03Å; M213-W241 HydrophobicContact CE-CZ3 3.61Å; L225-W241 HydrophobicContact CB-CH2 3.53Å; L225-W241 HydrophobicContact CB-CZ2 3.9Å; L225-W241 HydrophobicContact CB-CZ3 4.45Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.28Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.78Å; W241-Q248 HydrophobicContact CB-CB 4.21Å; W241-Q248 PolarHBondContact O-N 2.86Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 3.47Å; W241-V271 HydrophobicContact CD2-CB 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.58Å; W241-V271 HydrophobicContact CE3-CG1 3.83Å; W241-V271 HydrophobicContact CG-CB 4.2Å; W241-V271 HydrophobicContact CG-CG1 3.96Å; W241-V271 HydrophobicContact CH2-CG1 4.14Å; W241-V271 HydrophobicContact CZ2-CG1 3.99Å; W241-V271 HydrophobicContact CZ3-CG1 4.11Å; W241-T282 WeakPolarHBondContact CA-O 3.26Å; W241-T282 VanDerWaalsContact CE3-C 3.5Å; W241-C283 HydrophobicContact CD2-CB 4.23Å; W241-C283 HydrophobicContact CE3-CB 4.19Å; W241-C283 HydrophobicContact CH2-CB 4.25Å; W241-C283 HydrophobicContact CZ2-CB 4.22Å; W241-C283 HydrophobicContact CZ3-CB 4.19Å
242	Q	96.8	Very high	93.7	Very high	43 Å²	43	57 Å²	57	20%	0.201	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.8	172	-67.9	-172.4	-10.5	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3Å; Q242-D247 VanDerWaalsContact CG-OD1 3.28Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.34Å; Q242-D247 PolarHBondContact NE2-OD1 2.9Å; Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; Q242-T282 PolarHBondContact N-O 2.75Å; Q242-T282 PolarHBondContact O-N 2.9Å; Q242-H284 PolarHBondContact OE1-NE2 3.31Å
243	R	96.2	Very high	93.7	Very high	81 Å²	81	62.6 Å²	62.6	31%	0.306	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116	168.7	-177.8	179.8	69.2	-160	-3.4	108.5	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.12Å; R243-E246 PolarHBondContact N-O 2.84Å; R243-E246 PolarHBondContact O-N 2.89Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; R243-R280 WeakPolarHBondContact CA-O 3.43Å; R243-R280 HydrophobicContact CG-CB 4.35Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 VanDerWaalsContact CD-CZ 3.49Å; R243-Y281 WeakPolarHBondContact CD-OH 3.48Å; R243-Y281 HydrophobicContact CG-CD1 4.43Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.23Å; R243-Y281 PolarHBondContact NH1-OH 3.33Å
244	D	93.8	Very high	93.7	Very high	99 Å²	99	66.5 Å²	66.5	53%	0.529	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	30.5	-174.7	-53.6	-49	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 3.2Å; D244-R280 IonicContact OD1-NE 3.5Å; D244-R280 IonicContact OD2-CZ 3.08Å; D244-R280 IonicContact OD2-NE 2.77Å; D244-R280 PolarHBondContact OD2-NE 3.16Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 2.98Å
245	G	90.3	Very high	93.8	Very high	49 Å²	49	67.1 Å²	67.1	51%	0.505	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-1.6	-177.7	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 3.12Å
246	E	94.2	Very high	93.9	Very high	130 Å²	130	74.2 Å²	74.2	61%	0.607	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	127.7	175.2	-63.4	-175.9	166.4	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3Å; R243-E246 PolarHBondContact N-O 2.84Å; R243-E246 PolarHBondContact O-N 2.89Å; E246-Q248 PolarHBondContact O-NE2 3.48Å
247	D	93.9	Very high	94	Very high	98 Å²	98	71 Å²	71	52%	0.524	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.6	-179.8	-67.9	-29.1	0	0	0	112.5	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.28Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.34Å; Q242-D247 PolarHBondContact NE2-OD1 2.9Å
248	Q	93.6	Very high	94	Very high	14 Å²	14	75.2 Å²	75.2	7%	0.065	39%	0.39	C	S	.	.			trans	-109.9	36.6	-177.5	-57.4	-59.6	-72.6	0	0	112.5	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.21Å; W241-Q248 PolarHBondContact O-N 2.86Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; E246-Q248 PolarHBondContact O-NE2 3.48Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 2.84Å; Q248-D251 PolarHBondContact O-N 2.87Å; Q248-T252 WeakPolarHBondContact O-CB 3.45Å; Q248-T252 PolarHBondContact O-N 2.74Å; Q248-T252 VanDerWaalsContact O-N 3.17Å; Q248-T252 PolarHBondContact O-OG1 3.34Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	85.9	Confident	94	Very high	106 Å²	106	77.7 Å²	77.7	65%	0.65	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-58.6	-36.8	-170.1	-47.2	0	0	0	0	114.1
250	Q	85.6	Confident	94	Very high	192 Å²	192	79.7 Å²	79.7	90%	0.897	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-74.6	-30.2	-178.2	-67	-174.6	5.8	0	0	113.2	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 2.84Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	84.9	Confident	93.8	Very high	111 Å²	111	81.4 Å²	81.4	59%	0.594	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-95.1	3.2	-178	-57.7	-45.6	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 2.87Å
252	T	93.3	Very high	93.5	Very high	24 Å²	24	86.3 Å²	86.3	15%	0.147	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.2	-179.2	-64.6	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.45Å; Q248-T252 PolarHBondContact O-N 2.74Å; Q248-T252 VanDerWaalsContact O-N 3.17Å; Q248-T252 PolarHBondContact O-OG1 3.34Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 2.72Å; T252-A269 HydrophobicContact CG2-CB 3.99Å; T252-A270 CarbonylContact C-O 3.5Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.22Å
253	E	95.9	Very high	93.3	Very high	116 Å²	116	86.1 Å²	86.1	54%	0.542	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	104.1	163.2	-173.4	-174.6	-170.8	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.43Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.36Å; E253-A270 PolarHBondContact O-N 2.98Å
254	L	96.1	Very high	93.3	Very high	85 Å²	85	82.9 Å²	82.9	45%	0.445	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.8	177.2	-175.4	68	0	0	0	109.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.09Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 2.72Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
255	V	96.3	Very high	93.5	Very high	34 Å²	34	79.3 Å²	79.3	21%	0.206	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-87.4	153	173.8	-64.6	0	0	0	0	112.1	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.23Å; V255-K267 WeakPolarHBondContact O-CE 3.24Å; V255-K267 WeakPolarHBondContact O-CG 3.34Å; V255-K267 PolarHBondContact O-NZ 3.27Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.4Å
256	E	96.3	Very high	93.9	Very high	162 Å²	162	79 Å²	79	76%	0.757	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-58.4	149.2	167.8	-68.3	-55.7	151.7	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 3.08Å
257	T	97.5	Very high	94.1	Very high	43 Å²	43	73.4 Å²	73.4	26%	0.264	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-66.3	131	174.8	-57.3	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; A235-T257 HydrophobicContact CB-CG2 4.19Å; A235-T257 WeakPolarHBondContact O-CG2 3.48Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.5Å; T257-K267 PolarHBondContact OG1-NZ 2.04Å
258	R	96.8	Very high	94.2	Very high	98 Å²	98	70 Å²	70	37%	0.37	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.2	-176.1	69.9	-167.1	-179.5	-176.5	4	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.08Å; R258-F265 WeakPolarHBondContact O-CA 3.48Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.34Å; R258-Q266 VanDerWaalsContact NE-OE1 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.39Å
259	P	96.7	Very high	94.5	Very high	96 Å²	96	69.3 Å²	69.3	62%	0.623	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	144.9	176.6	28.3	-34.2	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CE1 4.3Å
260	A	95.9	Very high	95	Very high	48 Å²	48	64.4 Å²	64.4	40%	0.397	36%	0.361	S	S	.	.			trans	-88.7	-17.4	173.4	0	0	0	0	0	113	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.47Å; A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 PolarHBondContact N-O 2.82Å; A260-Q266 HydrophobicContact CB-CG 4.47Å
261	G	92.6	Very high	95.5	Very high	77 Å²	77	55.4 Å²	55.4	79%	0.794	32%	0.319	S	S	*	.	S	Bend	trans	97.6	-8.5	178.7	0	0	0	0	0	114.9
262	D	91.9	Very high	96.1	Very high	106 Å²	106	53.7 Å²	53.7	57%	0.567	31%	0.312	S	S	*	.	S	Bend	trans	-105.3	14.4	176.8	62	-2.3	0	0	0	112.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.47Å; D262-T264 WeakPolarHBondContact OD1-CB 3.18Å; D262-T264 PolarHBondContact OD1-N 2.8Å; D262-T264 PolarHBondContact OD1-OG1 3.48Å
263	G	91.3	Very high	96.2	Very high	40 Å²	40	52.6 Å²	52.6	41%	0.412	31%	0.305	S	S	.	.	S	Bend	trans	83.9	6	-173.6	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.45Å
264	T	96.3	Very high	96.1	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.08	29%	0.294	C	S	.	.			trans	-109	172.9	171.7	73.8	0	0	0	0	112.2	F232 A260 D262	F232-T264 WeakPolarHBondContact O-CA 3.45Å; A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 PolarHBondContact N-O 2.82Å; D262-T264 WeakPolarHBondContact OD1-CB 3.18Å; D262-T264 PolarHBondContact OD1-N 2.8Å; D262-T264 PolarHBondContact OD1-OG1 3.48Å
265	F	97.8	Very high	95.8	Very high	23 Å²	23	47.9 Å²	47.9	10%	0.101	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	163.4	-177.5	-62.6	-85.2	0	0	0	112.4	D54 S231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE1 4.5Å; D54-F265 HydrophobicContact CB-CE2 3.83Å; D54-F265 HydrophobicContact CB-CZ 3.51Å; S231-F265 PolarHBondContact N-O 2.98Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.17Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.32Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.63Å; F232-F265 PolarHBondContact N-O 3.26Å; F232-F265 PolarHBondContact O-N 3.19Å; Y233-F265 HydrophobicContact CD2-CD2 4.39Å; Y233-F265 AromaticContact CD2-CE2 3.91Å; Y233-F265 HydrophobicContact CD2-CE2 3.91Å; Y233-F265 HydrophobicContact CE2-CE2 4.33Å; A235-F265 HydrophobicContact CB-CD1 3.65Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.65Å; A235-F265 HydrophobicContact CB-CE2 3.71Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.48Å; P259-F265 HydrophobicContact CB-CE1 4.3Å
266	Q	98.1	Very high	95.5	Very high	42 Å²	42	49.3 Å²	49.3	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.2	174.4	39.3	165.3	-16.7	0	0	110.1	A229 L230 R258 A260	A229-Q266 CarbonylContact O-C 3.54Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.27Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.34Å; R258-Q266 VanDerWaalsContact NE-OE1 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.39Å; A260-Q266 HydrophobicContact CB-CG 4.47Å
267	K	98.4	Very high	95.4	Very high	14 Å²	14	44.7 Å²	44.7	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.1	176.4	-161.1	-177.4	-172.7	71.6	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.37Å; A229-K267 PolarHBondContact O-N 2.94Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.16Å; I237-K267 HydrophobicContact CG2-CB 4.19Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.23Å; V255-K267 WeakPolarHBondContact O-CE 3.24Å; V255-K267 WeakPolarHBondContact O-CG 3.34Å; V255-K267 PolarHBondContact O-NZ 3.27Å; T257-K267 WeakPolarHBondContact OG1-CD 3.5Å; T257-K267 PolarHBondContact OG1-NZ 2.04Å
268	W	98.1	Very high	95.2	Very high	25 Å²	25	43.6 Å²	43.6	10%	0.095	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.9	170.2	59.4	-98.9	0	0	0	111.4	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.26Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.33Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.28Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.83Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.26Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.43Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.4Å; W268-A270 HydrophobicContact CE3-CB 4Å; W268-A270 HydrophobicContact CZ3-CB 3.69Å
269	A	97.9	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.1	174.3	0	0	0	0	0	108.7	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.15Å; C227-A269 PolarHBondContact N-O 3.37Å; C227-A269 PolarHBondContact O-N 3.4Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 3.47Å; T252-A269 HydrophobicContact CG2-CB 3.99Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
270	A	97.3	Very high	94.9	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.025	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.9	179.5	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.9Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.46Å; R226-A270 HydrophobicContact CB-CB 3.94Å; R226-A270 HydrophobicContact CG-CB 4.1Å; T252-A270 CarbonylContact C-O 3.5Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.22Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.36Å; E253-A270 PolarHBondContact O-N 2.98Å; W268-A270 HydrophobicContact CE3-CB 4Å; W268-A270 HydrophobicContact CZ3-CB 3.69Å
271	V	97.1	Very high	94.9	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.4	175.9	64.8	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.33Å; L225-V271 HydrophobicContact CB-CG1 4.38Å; L225-V271 PolarHBondContact N-O 2.95Å; L225-V271 PolarHBondContact O-N 2.86Å; W241-V271 HydrophobicContact CD2-CB 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.58Å; W241-V271 HydrophobicContact CE3-CG1 3.83Å; W241-V271 HydrophobicContact CG-CB 4.2Å; W241-V271 HydrophobicContact CG-CG1 3.96Å; W241-V271 HydrophobicContact CH2-CG1 4.14Å; W241-V271 HydrophobicContact CZ2-CG1 3.99Å; W241-V271 HydrophobicContact CZ3-CG1 4.11Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-Y281 HydrophobicContact CG1-CD1 4.07Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.14Å
272	V	96.4	Very high	95.1	Very high	75 Å²	75	38.7 Å²	38.7	46%	0.455	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.4	171.6	-178.4	0	0	0	0	108.2	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; A223-V272 WeakPolarHBondContact O-CA 3.29Å
273	V	95.3	Very high	95.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.9	-176.7	-53.4	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.34Å; A223-V273 HydrophobicContact CB-CG2 4.35Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 WeakPolarHBondContact O-CG2 3.29Å; A223-V273 PolarHBondContact O-N 2.72Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.82Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.76Å; V273-Y281 HydrophobicContact CG1-CD2 3.51Å; V273-Y281 HydrophobicContact CG1-CE1 3.77Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.63Å
274	P	94.8	Very high	95.6	Very high	46 Å²	46	33.2 Å²	33.2	30%	0.299	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.8	170.1	-20.6	32.4	0	0	0	111.1	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.12Å; P274-G276 PolarHBondContact O-N 3.2Å; P274-Q277 HydrophobicContact CB-CB 4.41Å; P274-Q277 HydrophobicContact CB-CG 4.17Å; P274-Q277 WeakPolarHBondContact O-CB 3.03Å; P274-Q277 PolarHBondContact O-N 3.16Å
275	S	89.9	Confident	95.7	Very high	56 Å²	56	32.6 Å²	32.6	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	132.4	177.2	-61	0	0	0	0	111.4	H221 E222 Q277 E278	H221-S275 PolarHBondContact O-N 2.91Å; H221-S275 PolarHBondContact O-OG 2.8Å; E222-S275 PolarHBondContact N-OG 3.02Å; S275-Q277 VanDerWaalsContact C-N 3.3Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å
276	G	89.1	Confident	95.7	Very high	65 Å²	65	34.5 Å²	34.5	67%	0.67	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	-3.2	-177.3	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.2Å; G276-E278 WeakPolarHBondContact CA-OE2 3.05Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.89Å; G276-E278 PolarHBondContact N-OE2 2.96Å
277	Q	93.4	Very high	95.5	Very high	64 Å²	64	33 Å²	33	30%	0.299	18%	0.182	S	C	.	.			trans	-104.6	5.3	175.7	-59.7	-167.8	36.8	0	0	113.3	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.41Å; P274-Q277 HydrophobicContact CB-CG 4.17Å; P274-Q277 WeakPolarHBondContact O-CB 3.03Å; P274-Q277 PolarHBondContact O-N 3.16Å; S275-Q277 VanDerWaalsContact C-N 3.3Å; Q277-Q279 PolarHBondContact O-N 3.35Å; Q277-Q279 VanDerWaalsContact O-N 3.12Å; Q277-R280 WeakPolarHBondContact O-CB 3.19Å; Q277-R280 PolarHBondContact O-N 2.96Å; Q277-Y281 HydrophobicContact CB-CE2 4.36Å; Q277-Y281 VanDerWaalsContact O-CD2 3.3Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.4Å
278	E	93.3	Very high	95.2	Very high	20 Å²	20	36 Å²	36	9%	0.093	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-54.9	-36.8	-174.4	-58.9	79.2	-175.9	0	0	112	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.06Å; L225-E278 HydrophobicContact CD1-CG 4.42Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å; G276-E278 WeakPolarHBondContact CA-OE2 3.05Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.89Å; G276-E278 PolarHBondContact N-OE2 2.96Å; E278-R280 PolarHBondContact O-N 2.85Å; E278-Y281 PolarHBondContact O-N 3.44Å; E278-Y281 VanDerWaalsContact O-N 3.14Å; E278-W298 HydrophobicContact CB-CD2 4.26Å; E278-W298 HydrophobicContact CB-CE3 3.47Å; E278-W298 VanDerWaalsContact CB-CE3 3.47Å; E278-W298 HydrophobicContact CB-CZ3 3.92Å; E278-W298 HydrophobicContact CG-CE3 3.91Å; E278-W298 HydrophobicContact CG-CZ3 4Å
279	Q	92.7	Very high	94.9	Very high	93 Å²	93	35.8 Å²	35.8	44%	0.435	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-67.9	-18.9	-179.7	-64.5	-58	-41.2	0	0	114.4	Q277 Y281 W298	Q277-Q279 PolarHBondContact O-N 3.35Å; Q277-Q279 VanDerWaalsContact O-N 3.12Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.4Å
280	R	95.1	Very high	94.7	Very high	107 Å²	107	37 Å²	37	40%	0.404	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-77.8	-16.4	176.1	-62.9	175.1	67.1	-174.5	7.2	112	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.43Å; R243-R280 HydrophobicContact CG-CB 4.35Å; D244-R280 PolarHBondContact N-O 3.2Å; D244-R280 IonicContact OD1-NE 3.5Å; D244-R280 IonicContact OD2-CZ 3.08Å; D244-R280 IonicContact OD2-NE 2.77Å; D244-R280 PolarHBondContact OD2-NE 3.16Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 2.98Å; Q277-R280 WeakPolarHBondContact O-CB 3.19Å; Q277-R280 PolarHBondContact O-N 2.96Å; E278-R280 PolarHBondContact O-N 2.85Å
281	Y	96.1	Very high	94.5	Very high	6 Å²	6	43.2 Å²	43.2	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.9	-178.2	-66.9	-99.6	0	0	0	111	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 VanDerWaalsContact CD-CZ 3.49Å; R243-Y281 WeakPolarHBondContact CD-OH 3.48Å; R243-Y281 HydrophobicContact CG-CD1 4.43Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.23Å; R243-Y281 PolarHBondContact NH1-OH 3.33Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG1-CD1 4.07Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.14Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.76Å; V273-Y281 HydrophobicContact CG1-CD2 3.51Å; V273-Y281 HydrophobicContact CG1-CE1 3.77Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.63Å; Q277-Y281 HydrophobicContact CB-CE2 4.36Å; Q277-Y281 VanDerWaalsContact O-CD2 3.3Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.4Å; E278-Y281 PolarHBondContact O-N 3.44Å; E278-Y281 VanDerWaalsContact O-N 3.14Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.1	Very high	94.3	Very high	10 Å²	10	50.9 Å²	50.9	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.7	175.9	45.9	0	0	0	0	110.4	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.26Å; W241-T282 VanDerWaalsContact CE3-C 3.5Å; Q242-T282 PolarHBondContact N-O 2.75Å; Q242-T282 PolarHBondContact O-N 2.9Å; T282-H284 PolarHBondContact OG1-NE2 3.18Å; T282-T295 HydrophobicContact CG2-CG2 3.9Å; T282-L296 WeakPolarHBondContact CA-O 3.47Å; T282-R297 HydrophobicContact CG2-CG 3.53Å; T282-R297 VanDerWaalsContact CG2-NE 3.33Å
283	C	97.5	Very high	94.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.4	169.1	174.4	0	0	0	0	109.4	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 4.28Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.38Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.86Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.4Å; W241-C283 HydrophobicContact CD2-CB 4.23Å; W241-C283 HydrophobicContact CE3-CB 4.19Å; W241-C283 HydrophobicContact CH2-CB 4.25Å; W241-C283 HydrophobicContact CZ2-CB 4.22Å; W241-C283 HydrophobicContact CZ3-CB 4.19Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.35Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.83Å; C283-L296 PolarHBondContact O-N 2.89Å
284	H	97.1	Very high	94.3	Very high	31 Å²	31	53.6 Å²	53.6	14%	0.144	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.8	177	-63.1	-103.6	0	0	0	109.5	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.27Å; T240-H284 PolarHBondContact N-O 2.9Å; T240-H284 PolarHBondContact O-N 2.67Å; Q242-H284 PolarHBondContact OE1-NE2 3.31Å; T282-H284 PolarHBondContact OG1-NE2 3.18Å; H284-L294 CarbonylContact C-O 3.53Å; H284-L294 WeakPolarHBondContact CA-O 3.35Å; H284-T295 PolarHBondContact ND1-OG1 3.48Å
285	V	97.6	Very high	94.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.7	-179	-174.5	0	0	0	0	108.7	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.99Å; T211-V285 HydrophobicContact CG2-CG1 4.27Å; T211-V285 HydrophobicContact CG2-CG2 4.11Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.35Å; T238-V285 WeakPolarHBondContact O-CA 3.38Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.15Å; V285-P293 WeakPolarHBondContact O-CA 3.49Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.39Å; V285-L294 PolarHBondContact O-N 3.41Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
286	Q	96.8	Very high	94.6	Very high	63 Å²	63	54.2 Å²	54.2	29%	0.294	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.9	174.1	-50.7	-178	27.3	0	0	108.9	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; T238-Q286 PolarHBondContact N-O 3.48Å; T238-Q286 PolarHBondContact O-N 3.43Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
287	H	95.2	Very high	94.8	Very high	11 Å²	11	58.6 Å²	58.6	5%	0.051	29%	0.293	C	S	.	.			trans	-155.8	147	-178.9	-173.9	-100.1	0	0	0	108.2	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.75Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.63Å; Y233-H287 PolarHBondContact O-CE1 3.4Å; P234-H287 PolarHBondContact O-NE2 3.04Å; E236-H287 PolarHBondContact O-CD2 3.25Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.04Å; H287-G289 WeakPolarHBondContact ND1-CA 3.5Å; H287-G289 PolarHBondContact ND1-N 3.43Å; H287-G289 PolarHBondContact O-N 3.05Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.46Å; H287-L290 PolarHBondContact O-N 3.01Å
288	E	91.4	Very high	94.7	Very high	76 Å²	76	57.7 Å²	57.7	36%	0.355	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.7	179.9	-173.9	-179.1	-179.1	0	0	112.5	T206 L290	T206-E288 HydrophobicContact CG2-CB 3.95Å; T206-E288 HydrophobicContact CG2-CG 4.05Å; E288-L290 PolarHBondContact O-N 3.14Å
289	G	92.3	Very high	94.3	Very high	22 Å²	22	64.3 Å²	64.3	23%	0.227	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.5	178.2	0	0	0	0	0	113.7	A208 H287	A208-G289 WeakPolarHBondContact CB-O 3.5Å; H287-G289 WeakPolarHBondContact ND1-CA 3.5Å; H287-G289 PolarHBondContact ND1-N 3.43Å; H287-G289 PolarHBondContact O-N 3.05Å
290	L	94.4	Very high	93.5	Very high	25 Å²	25	63.7 Å²	63.7	13%	0.131	32%	0.322	C	S	.	.			trans	-100.6	123	177.5	-63.3	171.3	0	0	0	110	A208 P209 V285 H287 E288 K292 L294	A208-L290 HydrophobicContact CB-CD2 4Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.38Å; P209-L290 HydrophobicContact CG-CG 4.15Å; V285-L290 HydrophobicContact CG1-CD1 4.15Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.46Å; H287-L290 PolarHBondContact O-N 3.01Å; E288-L290 PolarHBondContact O-N 3.14Å; L290-K292 WeakPolarHBondContact CB-O 3.21Å; L290-K292 PolarHBondContact O-N 2.93Å; L290-K292 VanDerWaalsContact O-N 3.14Å; L290-L294 HydrophobicContact CD1-CB 4.37Å; L290-L294 HydrophobicContact CD1-CD1 3.85Å; L290-L294 HydrophobicContact CD1-CG 3.8Å; L290-L294 HydrophobicContact CD2-CD1 3.54Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CD1 4.35Å; L290-L294 HydrophobicContact CG-CG 4.39Å
291	P	91.9	Very high	92	Very high	133 Å²	133	63.5 Å²	63.5	86%	0.864	34%	0.337	S	S	*	.	S	Bend	trans	-64.4	-23	177.9	26.8	-34.9	0	0	0	112.5
292	K	92.9	Very high	89.6	Confident	164 Å²	164	68.6 Å²	68.6	71%	0.713	37%	0.373	S	S	*	.	S	Bend	trans	-146.4	150.5	172.9	-60.6	-175.3	179.4	176.7	0	109	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.21Å; L290-K292 PolarHBondContact O-N 2.93Å; L290-K292 VanDerWaalsContact O-N 3.14Å; K292-L294 PolarHBondContact O-N 2.9Å
293	P	94.9	Very high	87.1	Confident	72 Å²	72	75.8 Å²	75.8	47%	0.468	41%	0.406	S	S	.	.			trans	-50.3	134.8	171.7	-29.2	36.9	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.49Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
294	L	95.9	Very high	84.6	Confident	62 Å²	62	80.6 Å²	80.6	33%	0.325	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.5	173.1	-68.2	177.5	0	0	0	109.8	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.44Å; H284-L294 CarbonylContact C-O 3.53Å; H284-L294 WeakPolarHBondContact CA-O 3.35Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.39Å; V285-L294 PolarHBondContact O-N 3.41Å; L290-L294 HydrophobicContact CD1-CB 4.37Å; L290-L294 HydrophobicContact CD1-CD1 3.85Å; L290-L294 HydrophobicContact CD1-CG 3.8Å; L290-L294 HydrophobicContact CD2-CD1 3.54Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CD1 4.35Å; L290-L294 HydrophobicContact CG-CG 4.39Å; K292-L294 PolarHBondContact O-N 2.9Å
295	T	96.6	Very high	82.4	Confident	81 Å²	81	85.4 Å²	85.4	50%	0.497	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.1	171.6	-56.4	0	0	0	0	108.2	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.9Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.35Å; H284-T295 PolarHBondContact ND1-OG1 3.48Å
296	L	95.3	Very high	80.4	Confident	34 Å²	34	90.1 Å²	90.1	18%	0.178	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137	-176.7	-60.7	157.8	0	0	0	109.2	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.09Å; M213-L296 HydrophobicContact CG-CB 4.3Å; M213-L296 HydrophobicContact SD-CB 3.63Å; T282-L296 WeakPolarHBondContact CA-O 3.47Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.83Å; C283-L296 PolarHBondContact O-N 2.89Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
297	R	93.5	Very high	78.5	Confident	157 Å²	157	91.2 Å²	91.2	59%	0.592	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.8	169	-73	-176.7	178.8	164.6	-0.4	108.6	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.53Å; T282-R297 VanDerWaalsContact CG2-NE 3.33Å; R297-E299 PolarHBondContact O-N 3.39Å
298	W	91.5	Very high	76.9	Confident	45 Å²	45	96.1 Å²	96.1	17%	0.17	53%	0.531	C	S	.	.			trans	-69.3	124.8	175.2	173.7	72.9	0	0	0	108.8	M213 H215 L225 E278 Q279 P300	M213-W298 HydrophobicContact CE-CB 4.22Å; M213-W298 HydrophobicContact SD-CB 4.35Å; M213-W298 PolarHBondContact SD-N 3.27Å; H215-W298 HydrophobicContact CB-CZ2 4.21Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; L225-W298 HydrophobicContact CD1-CB 4.24Å; L225-W298 HydrophobicContact CD2-CB 3.96Å; L225-W298 HydrophobicContact CD2-CD2 4.32Å; L225-W298 HydrophobicContact CD2-CG 3.8Å; E278-W298 HydrophobicContact CB-CD2 4.26Å; E278-W298 HydrophobicContact CB-CE3 3.47Å; E278-W298 VanDerWaalsContact CB-CE3 3.47Å; E278-W298 HydrophobicContact CB-CZ3 3.92Å; E278-W298 HydrophobicContact CG-CE3 3.91Å; E278-W298 HydrophobicContact CG-CZ3 4Å; Q279-W298 PolarHBondContact NE2-O 3.4Å; W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 3.86Å; W298-P300 HydrophobicContact CH2-CG 3.66Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.24Å; W298-P300 HydrophobicContact CZ3-CB 4.41Å; W298-P300 HydrophobicContact CZ3-CG 3.71Å
299	E	83.9	Confident	75.6	Confident	159 Å²	159	98.2 Å²	98.2	74%	0.743	55%	0.549	S	S	*	.			trans	-107.8	127.6	169.7	-75.9	-179.7	176.4	0	0	108.6	R297 S301	R297-E299 PolarHBondContact O-N 3.39Å; E299-S301 PolarHBondContact O-N 3.08Å
300	P	77.5	Confident	74.5	Confident	79 Å²	79	99.2 Å²	99.2	51%	0.513	56%	0.56	S	S	.	*			trans	-57.4	126	170.7	-13.5	23	0	0	0	108.5	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 3.86Å; W298-P300 HydrophobicContact CH2-CG 3.66Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.24Å; W298-P300 HydrophobicContact CZ3-CB 4.41Å; W298-P300 HydrophobicContact CZ3-CG 3.71Å; P300-S302 PolarHBondContact O-N 3.39Å
301	S	61.9	Low	73.5	Confident	103 Å²	103	102.5 Å²	102.5	72%	0.72	58%	0.576	S	S	*	*			trans	-58.3	112.3	178.9	67.7	0	0	0	0	109.1	E299 Q303	E299-S301 PolarHBondContact O-N 3.08Å; S301-Q303 PolarHBondContact O-N 2.73Å
302	S	46.8	Very low	72.7	Confident	114 Å²	114	100.8 Å²	100.8	80%	0.797	56%	0.559	S	S	*	*			trans	-75.6	66.7	165.9	50.1	0	0	0	0	108.1	P300 P304	P300-S302 PolarHBondContact O-N 3.39Å; S302-P304 WeakPolarHBondContact O-CD 3.4Å
303	Q	44.6	Very low	72	Confident	161 Å²	161	95.2 Å²	95.2	75%	0.752	54%	0.543	S	S	*	.			trans	-69	109.1	153.5	-85.5	-171	-24.7	0	0	105.1	S301 T305	S301-Q303 PolarHBondContact O-N 2.73Å; Q303-T305 PolarHBondContact O-N 3.22Å
304	P	43.8	Very low	71.4	Confident	100 Å²	100	93.7 Å²	93.7	65%	0.649	54%	0.54	S	S	*	.			trans	-57.5	118.2	162.6	24.3	-30.1	0	0	0	104.9	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.4Å; P304-I306 HydrophobicContact CB-CG1 4.33Å; P304-I306 HydrophobicContact CG-CG1 4.28Å; P304-I306 PolarHBondContact O-N 2.77Å
305	T	51.7	Low	70.9	Confident	133 Å²	133	96.4 Å²	96.4	82%	0.816	56%	0.555	S	S	*	*			trans	-63	79.2	159.3	-36.1	0	0	0	0	104.9	Q303 P307	Q303-T305 PolarHBondContact O-N 3.22Å; T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å
306	I	55.3	Low	70.3	Confident	99 Å²	99	97.1 Å²	97.1	51%	0.508	56%	0.559	S	S	.	*			trans	-52.9	119.2	167.3	-63.5	175.8	0	0	0	102.7	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.33Å; P304-I306 HydrophobicContact CG-CG1 4.28Å; P304-I306 PolarHBondContact O-N 2.77Å; I306-I308 HydrophobicContact CG2-CG1 4.39Å; I306-I308 PolarHBondContact O-N 3.19Å; I306-I311 HydrophobicContact CG2-CD1 3.82Å
307	P	57.3	Low	69.7	Low	86 Å²	86	101.1 Å²	101.1	56%	0.558	58%	0.58	S	S	*	*			trans	-74.3	78.7	-175.9	30.4	-32.5	0	0	0	106.4	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å; P307-V309 PolarHBondContact O-N 2.95Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.42Å; P307-G310 PolarHBondContact O-N 3.3Å; P307-I311 PolarHBondContact O-N 3.37Å; P307-I311 VanDerWaalsContact O-N 3.07Å
308	I	61.6	Low	69.2	Low	114 Å²	114	100.3 Å²	100.3	59%	0.585	58%	0.581	S	S	*	*	H	α-helix	trans	-54.3	-34.7	178.1	-68.5	166.8	0	0	0	108.4	I306 I311 I312	I306-I308 HydrophobicContact CG2-CG1 4.39Å; I306-I308 PolarHBondContact O-N 3.19Å; I308-I311 PolarHBondContact O-N 3.3Å; I308-I312 HydrophobicContact CG2-CD1 3.67Å; I308-I312 HydrophobicContact CG2-CG1 4.35Å; I308-I312 WeakPolarHBondContact O-CB 3.49Å; I308-I312 WeakPolarHBondContact O-CD1 3.45Å; I308-I312 WeakPolarHBondContact O-CG1 2.84Å; I308-I312 PolarHBondContact O-N 3.16Å
309	V	63.8	Low	68.8	Low	120 Å²	120	99.8 Å²	99.8	73%	0.727	59%	0.589	S	S	*	*	H	α-helix	trans	-62	-41.3	173	-176.1	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 2.95Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.27Å; V309-A313 WeakPolarHBondContact O-CB 3.43Å; V309-A313 PolarHBondContact O-N 3.41Å
310	G	69.1	Low	68.7	Low	43 Å²	43	95.2 Å²	95.2	44%	0.443	58%	0.578	S	S	.	*	H	α-helix	trans	-69.1	-37.8	178.4	0	0	0	0	0	112.9	P307 G314	P307-G310 WeakPolarHBondContact O-CA 3.42Å; P307-G310 PolarHBondContact O-N 3.3Å; G310-G314 PolarHBondContact O-N 3.44Å
311	I	74	Confident	69.1	Low	94 Å²	94	96.3 Å²	96.3	48%	0.482	58%	0.583	S	S	.	*	H	α-helix	trans	-68.8	-43.7	175.7	-61.9	173.5	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.82Å; P307-I311 PolarHBondContact O-N 3.37Å; P307-I311 VanDerWaalsContact O-N 3.07Å; I308-I311 PolarHBondContact O-N 3.3Å; I311-G314 PolarHBondContact O-N 2.9Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.49Å; I311-L315 PolarHBondContact O-N 2.88Å
312	I	75.1	Confident	70.1	Confident	96 Å²	96	95.8 Å²	95.8	49%	0.492	57%	0.572	S	S	.	*	H	α-helix	trans	-63.6	-46.9	176.8	-68.2	168.1	0	0	0	110.6	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.67Å; I308-I312 HydrophobicContact CG2-CG1 4.35Å; I308-I312 WeakPolarHBondContact O-CB 3.49Å; I308-I312 WeakPolarHBondContact O-CD1 3.45Å; I308-I312 WeakPolarHBondContact O-CG1 2.84Å; I308-I312 PolarHBondContact O-N 3.16Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 3.18Å; I312-L315 PolarHBondContact O-N 2.83Å; I312-V316 HydrophobicContact CG2-CG2 4.34Å; I312-V316 VanDerWaalsContact O-CG2 3.27Å; I312-V316 WeakPolarHBondContact O-CG2 3.17Å; I312-V316 PolarHBondContact O-N 3.28Å
313	A	77.6	Confident	71.6	Confident	48 Å²	48	94.5 Å²	94.5	40%	0.397	56%	0.559	S	S	.	*	H	α-helix	trans	-60.4	-41.9	176.9	0	0	0	0	0	111.8	V309 V316 L317	V309-A313 VanDerWaalsContact O-CB 3.27Å; V309-A313 WeakPolarHBondContact O-CB 3.43Å; V309-A313 PolarHBondContact O-N 3.41Å; A313-V316 PolarHBondContact O-N 2.69Å; A313-L317 WeakPolarHBondContact O-CB 3.49Å; A313-L317 WeakPolarHBondContact O-CG 3.34Å; A313-L317 PolarHBondContact O-N 2.92Å
314	G	82.1	Confident	73.3	Confident	39 Å²	39	88.8 Å²	88.8	40%	0.402	54%	0.544	S	S	.	.	H	α-helix	trans	-61.5	-46.1	175.2	0	0	0	0	0	112.9	G310 I311 I312 L317 F318	G310-G314 PolarHBondContact O-N 3.44Å; I311-G314 PolarHBondContact O-N 2.9Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 3.18Å; G314-L317 PolarHBondContact O-N 3.29Å; G314-F318 WeakPolarHBondContact O-CB 3.24Å; G314-F318 PolarHBondContact O-N 3.28Å
315	L	85.8	Confident	75	Confident	119 Å²	119	86.9 Å²	86.9	62%	0.623	54%	0.536	S	S	*	.	H	α-helix	trans	-65.9	-39.5	178.5	-73.9	170.5	0	0	0	112.6	I311 I312 F318 G319	I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.49Å; I311-L315 PolarHBondContact O-N 2.88Å; I312-L315 PolarHBondContact O-N 2.83Å; L315-F318 PolarHBondContact O-N 3.29Å; L315-G319 PolarHBondContact O-N 3.48Å
316	V	84.3	Confident	76.4	Confident	97 Å²	97	84.5 Å²	84.5	59%	0.588	52%	0.522	S	S	*	.	H	α-helix	trans	-65	-44.8	176.6	171.2	0	0	0	0	110.7	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.34Å; I312-V316 VanDerWaalsContact O-CG2 3.27Å; I312-V316 WeakPolarHBondContact O-CG2 3.17Å; I312-V316 PolarHBondContact O-N 3.28Å; A313-V316 PolarHBondContact O-N 2.69Å; V316-G319 PolarHBondContact O-N 2.84Å; V316-A320 WeakPolarHBondContact O-CB 3.32Å; V316-A320 PolarHBondContact O-N 2.86Å
317	L	83.5	Confident	77.6	Confident	117 Å²	117	83.5 Å²	83.5	61%	0.613	52%	0.52	S	S	*	.	H	α-helix	trans	-62.9	-44	176.1	-76.1	168.6	0	0	0	111.5	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.49Å; A313-L317 WeakPolarHBondContact O-CG 3.34Å; A313-L317 PolarHBondContact O-N 2.92Å; G314-L317 PolarHBondContact O-N 3.29Å; L317-G319 PolarHBondContact O-N 3.11Å; L317-A320 PolarHBondContact O-N 2.88Å; L317-V321 WeakPolarHBondContact O-CG2 3.37Å; L317-V321 PolarHBondContact O-N 3.42Å
318	F	82.4	Confident	78.5	Confident	141 Å²	141	82.1 Å²	82.1	62%	0.618	52%	0.516	S	S	*	.	H	α-helix	trans	-64.1	-42.5	178.7	-154.5	-98.4	0	0	0	111.7	G314 L315 V321 I322	G314-F318 WeakPolarHBondContact O-CB 3.24Å; G314-F318 PolarHBondContact O-N 3.28Å; L315-F318 PolarHBondContact O-N 3.29Å; F318-V321 PolarHBondContact O-N 3.1Å; F318-I322 HydrophobicContact CD1-CD1 3.81Å; F318-I322 HydrophobicContact CD1-CG1 4.37Å; F318-I322 HydrophobicContact CE1-CD1 3.61Å; F318-I322 HydrophobicContact CE1-CG1 4.34Å; F318-I322 WeakPolarHBondContact O-CG1 3.37Å; F318-I322 PolarHBondContact O-N 3.31Å
319	G	82.7	Confident	79.2	Confident	34 Å²	34	79.4 Å²	79.4	35%	0.351	51%	0.51	S	S	.	.	H	α-helix	trans	-60	-44.9	173.2	0	0	0	0	0	112.4	L315 V316 L317 V321 I322 T323	L315-G319 PolarHBondContact O-N 3.48Å; V316-G319 PolarHBondContact O-N 2.84Å; L317-G319 PolarHBondContact O-N 3.11Å; G319-V321 PolarHBondContact O-N 2.85Å; G319-I322 PolarHBondContact O-N 2.9Å; G319-T323 WeakPolarHBondContact O-CB 3.44Å; G319-T323 PolarHBondContact O-N 3.28Å; G319-T323 PolarHBondContact O-OG1 3.49Å
320	A	82.1	Confident	79.8	Confident	62 Å²	62	77.3 Å²	77.3	51%	0.512	50%	0.498	S	S	.	.	H	α-helix	trans	-62.8	-41.1	177.7	0	0	0	0	0	112.4	V316 L317 T323 G324	V316-A320 WeakPolarHBondContact O-CB 3.32Å; V316-A320 PolarHBondContact O-N 2.86Å; L317-A320 PolarHBondContact O-N 2.88Å; A320-T323 PolarHBondContact O-N 3.22Å; A320-G324 PolarHBondContact O-N 3.31Å
321	V	85	Confident	80.1	Confident	102 Å²	102	81.4 Å²	81.4	62%	0.618	51%	0.506	S	S	*	.	H	α-helix	trans	-64	-46.1	176.8	171.6	0	0	0	0	111.2	L317 F318 G319 T323 G324 A325	L317-V321 WeakPolarHBondContact O-CG2 3.37Å; L317-V321 PolarHBondContact O-N 3.42Å; F318-V321 PolarHBondContact O-N 3.1Å; G319-V321 PolarHBondContact O-N 2.85Å; V321-T323 VanDerWaalsContact C-N 3.35Å; V321-T323 PolarHBondContact O-N 3.06Å; V321-G324 PolarHBondContact O-N 2.99Å; V321-A325 WeakPolarHBondContact O-CB 3.28Å; V321-A325 PolarHBondContact O-N 2.91Å
322	I	82.9	Confident	80	Confident	92 Å²	92	86.8 Å²	86.8	47%	0.472	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-45.5	177.4	-70.9	-173.9	0	0	0	110.5	F318 G319 G324 A325 V326	F318-I322 HydrophobicContact CD1-CD1 3.81Å; F318-I322 HydrophobicContact CD1-CG1 4.37Å; F318-I322 HydrophobicContact CE1-CD1 3.61Å; F318-I322 HydrophobicContact CE1-CG1 4.34Å; F318-I322 WeakPolarHBondContact O-CG1 3.37Å; F318-I322 PolarHBondContact O-N 3.31Å; G319-I322 PolarHBondContact O-N 2.9Å; I322-G324 VanDerWaalsContact C-N 3.34Å; I322-G324 PolarHBondContact O-N 3.13Å; I322-A325 PolarHBondContact O-N 3.09Å; I322-V326 HydrophobicContact CG2-CG2 4.4Å; I322-V326 VanDerWaalsContact O-CG2 3.31Å; I322-V326 WeakPolarHBondContact O-CG2 3.08Å; I322-V326 PolarHBondContact O-N 2.7Å
323	T	78	Confident	79.7	Confident	87 Å²	87	91.6 Å²	91.6	53%	0.534	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-43.3	180	-43	0	0	0	0	110.8	G319 A320 V321 V326 V327	G319-T323 WeakPolarHBondContact O-CB 3.44Å; G319-T323 PolarHBondContact O-N 3.28Å; G319-T323 PolarHBondContact O-OG1 3.49Å; A320-T323 PolarHBondContact O-N 3.22Å; V321-T323 VanDerWaalsContact C-N 3.35Å; V321-T323 PolarHBondContact O-N 3.06Å; T323-V326 PolarHBondContact O-N 3.42Å; T323-V327 VanDerWaalsContact O-CG2 3.29Å; T323-V327 WeakPolarHBondContact O-CG2 3.32Å; T323-V327 PolarHBondContact O-N 3.16Å
324	G	80.8	Confident	78.9	Confident	42 Å²	42	98.4 Å²	98.4	43%	0.433	55%	0.548	S	S	.	.	H	α-helix	trans	-61.3	-43.1	174.8	0	0	0	0	0	113	A320 V321 I322 V327 A328	A320-G324 PolarHBondContact O-N 3.31Å; V321-G324 PolarHBondContact O-N 2.99Å; I322-G324 VanDerWaalsContact C-N 3.34Å; I322-G324 PolarHBondContact O-N 3.13Å; G324-V327 PolarHBondContact O-N 3.36Å; G324-A328 WeakPolarHBondContact O-CB 3.31Å; G324-A328 PolarHBondContact O-N 3.46Å
325	A	80.6	Confident	77.7	Confident	59 Å²	59	105 Å²	105	49%	0.488	57%	0.566	S	S	.	*	H	α-helix	trans	-64.5	-41.4	177.3	0	0	0	0	0	112.3	V321 I322 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.28Å; V321-A325 PolarHBondContact O-N 2.91Å; I322-A325 PolarHBondContact O-N 3.09Å; A325-A328 PolarHBondContact O-N 3.2Å; A325-A329 WeakPolarHBondContact O-CB 3.47Å; A325-A329 PolarHBondContact O-N 2.99Å
326	V	81.4	Confident	76.2	Confident	84 Å²	84	102.9 Å²	102.9	51%	0.509	56%	0.561	S	S	.	*	H	α-helix	trans	-64.5	-46	176.2	172.4	0	0	0	0	110.8	I322 T323 A328 A329 V330	I322-V326 HydrophobicContact CG2-CG2 4.4Å; I322-V326 VanDerWaalsContact O-CG2 3.31Å; I322-V326 WeakPolarHBondContact O-CG2 3.08Å; I322-V326 PolarHBondContact O-N 2.7Å; T323-V326 PolarHBondContact O-N 3.42Å; V326-A328 PolarHBondContact O-N 2.96Å; V326-A329 PolarHBondContact O-N 3.17Å; V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.46Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.5Å; V326-V330 PolarHBondContact O-N 3Å
327	V	79.6	Confident	74.7	Confident	78 Å²	78	102.3 Å²	102.3	47%	0.473	56%	0.562	S	S	.	*	H	α-helix	trans	-61.8	-44.6	177.5	172.7	0	0	0	0	110.9	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.29Å; T323-V327 WeakPolarHBondContact O-CG2 3.32Å; T323-V327 PolarHBondContact O-N 3.16Å; G324-V327 PolarHBondContact O-N 3.36Å; V327-A329 PolarHBondContact O-N 2.86Å; V327-V330 PolarHBondContact O-N 3.16Å; V327-M331 HydrophobicContact CG1-CG 4.44Å; V327-M331 HydrophobicContact CG1-SD 4.13Å; V327-M331 WeakPolarHBondContact O-CB 3.49Å; V327-M331 WeakPolarHBondContact O-CG 3.31Å; V327-M331 PolarHBondContact O-N 3.04Å
328	A	76.3	Confident	72.9	Confident	57 Å²	57	104.2 Å²	104.2	47%	0.471	57%	0.572	S	S	.	*	H	α-helix	trans	-61.3	-43	176.2	0	0	0	0	0	112.1	G324 A325 V326 M331 W332	G324-A328 WeakPolarHBondContact O-CB 3.31Å; G324-A328 PolarHBondContact O-N 3.46Å; A325-A328 PolarHBondContact O-N 3.2Å; V326-A328 PolarHBondContact O-N 2.96Å; A328-M331 PolarHBondContact O-N 3.31Å; A328-W332 WeakPolarHBondContact O-CB 3.35Å; A328-W332 PolarHBondContact O-N 3.45Å
329	A	76.6	Confident	71.2	Confident	56 Å²	56	108.2 Å²	108.2	46%	0.463	58%	0.583	S	S	.	*	H	α-helix	trans	-65.3	-39.9	176.8	0	0	0	0	0	112.6	A325 V326 V327 W332 R333	A325-A329 WeakPolarHBondContact O-CB 3.47Å; A325-A329 PolarHBondContact O-N 2.99Å; V326-A329 PolarHBondContact O-N 3.17Å; V327-A329 PolarHBondContact O-N 2.86Å; A329-W332 PolarHBondContact O-N 2.85Å; A329-R333 PolarHBondContact O-N 3.09Å
330	V	75.6	Confident	69.1	Low	77 Å²	77	116 Å²	116	47%	0.467	61%	0.608	S	S	.	*	H	α-helix	trans	-67.3	-42.2	176	170.9	0	0	0	0	111.1	V326 V327 W332 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.46Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.5Å; V326-V330 PolarHBondContact O-N 3Å; V327-V330 PolarHBondContact O-N 3.16Å; V330-W332 VanDerWaalsContact C-N 3.35Å; V330-R333 PolarHBondContact O-N 3.14Å; V330-R334 PolarHBondContact O-N 3.11Å
331	M	75.4	Confident	66.9	Low	128 Å²	128	117 Å²	117	63%	0.631	62%	0.623	S	S	*	*	H	α-helix	trans	-64.3	-39.3	174.6	-73.6	-176.2	68.8	0	0	111.9	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.44Å; V327-M331 HydrophobicContact CG1-SD 4.13Å; V327-M331 WeakPolarHBondContact O-CB 3.49Å; V327-M331 WeakPolarHBondContact O-CG 3.31Å; V327-M331 PolarHBondContact O-N 3.04Å; A328-M331 PolarHBondContact O-N 3.31Å; M331-R334 PolarHBondContact O-N 3.32Å; M331-K335 WeakPolarHBondContact O-CB 3.4Å; M331-K335 PolarHBondContact O-N 3.12Å
332	W	72.9	Confident	64.5	Low	208 Å²	208	115.9 Å²	115.9	79%	0.788	63%	0.632	S	S	*	*	H	α-helix	trans	-62.9	-44.3	173.5	-162.3	-57	0	0	0	111.3	A328 A329 V330 K335 S336	A328-W332 WeakPolarHBondContact O-CB 3.35Å; A328-W332 PolarHBondContact O-N 3.45Å; A329-W332 PolarHBondContact O-N 2.85Å; V330-W332 VanDerWaalsContact C-N 3.35Å; W332-K335 PolarHBondContact O-N 3.42Å; W332-S336 PolarHBondContact O-N 3.12Å; W332-S336 PolarHBondContact O-OG 3.4Å
333	R	67.2	Low	62.1	Low	197 Å²	197	117.2 Å²	117.2	74%	0.743	65%	0.65	S	S	*	*	H	α-helix	trans	-60.9	-45.7	175	-92.9	-172.4	-179.7	173.8	1.7	112.1	A329 V330 K335 S336 S337	A329-R333 PolarHBondContact O-N 3.09Å; V330-R333 PolarHBondContact O-N 3.14Å; R333-K335 VanDerWaalsContact C-N 3.34Å; R333-K335 PolarHBondContact O-N 3.4Å; R333-S336 WeakPolarHBondContact CA-OG 3.36Å; R333-S336 PolarHBondContact O-N 3.11Å; R333-S336 VanDerWaalsContact O-N 3.13Å; R333-S336 PolarHBondContact O-OG 3.03Å; R333-S337 PolarHBondContact O-N 3.42Å; R333-S337 PolarHBondContact O-OG 3.23Å
334	R	61.9	Low	60.1	Low	190 Å²	190	123.8 Å²	123.8	72%	0.717	67%	0.667	S	S	*	*	H	α-helix	trans	-61.4	-39.5	176.1	-86.3	-173.3	167.1	-178	-3	112.5	V330 M331 S336 S337 D338	V330-R334 PolarHBondContact O-N 3.11Å; M331-R334 PolarHBondContact O-N 3.32Å; R334-S336 VanDerWaalsContact C-N 3.3Å; R334-S336 PolarHBondContact O-N 3.29Å; R334-S337 WeakPolarHBondContact CA-OG 3.23Å; R334-S337 PolarHBondContact O-N 2.77Å; R334-S337 PolarHBondContact O-OG 3.11Å; R334-D338 PolarHBondContact O-N 3.15Å
335	K	55.8	Low	58	Low	178 Å²	178	127.9 Å²	127.9	77%	0.774	69%	0.689	S	S	*	*	H	α-helix	trans	-70.2	-26.1	176	-165	173.4	-179.2	179	0	112.9	M331 W332 R333	M331-K335 WeakPolarHBondContact O-CB 3.4Å; M331-K335 PolarHBondContact O-N 3.12Å; W332-K335 PolarHBondContact O-N 3.42Å; R333-K335 VanDerWaalsContact C-N 3.34Å; R333-K335 PolarHBondContact O-N 3.4Å
336	S	54.6	Low	55.9	Low	74 Å²	74	133.9 Å²	133.9	52%	0.517	71%	0.707	S	S	.	*	H	α-helix	trans	-83.9	-23.9	174.9	67.8	0	0	0	0	114.1	W332 R333 R334	W332-S336 PolarHBondContact O-N 3.12Å; W332-S336 PolarHBondContact O-OG 3.4Å; R333-S336 WeakPolarHBondContact CA-OG 3.36Å; R333-S336 PolarHBondContact O-N 3.11Å; R333-S336 VanDerWaalsContact O-N 3.13Å; R333-S336 PolarHBondContact O-OG 3.03Å; R334-S336 VanDerWaalsContact C-N 3.3Å; R334-S336 PolarHBondContact O-N 3.29Å
337	S	53.1	Low	53.5	Low	86 Å²	86	134.5 Å²	134.5	60%	0.601	72%	0.721	S	S	*	*	H	α-helix	trans	-82.2	-18.2	178	55.9	0	0	0	0	114	R333 R334 R339	R333-S337 PolarHBondContact O-N 3.42Å; R333-S337 PolarHBondContact O-OG 3.23Å; R334-S337 WeakPolarHBondContact CA-OG 3.23Å; R334-S337 PolarHBondContact O-N 2.77Å; R334-S337 PolarHBondContact O-OG 3.11Å; S337-R339 PolarHBondContact O-N 2.92Å
338	D	47	Very low	51.4	Low	157 Å²	157	135.1 Å²	135.1	84%	0.84	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	5.6	176.6	-113.9	-1.3	0	0	0	114	R334	R334-D338 PolarHBondContact O-N 3.15Å
339	R	46.3	Very low	49.3	Very low	224 Å²	224	137.8 Å²	137.8	85%	0.845	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	28.7	-176.7	-154.1	-175.8	160.5	156.3	-4	114.9	S337	S337-R339 PolarHBondContact O-N 2.92Å
340	K	39	Very low	47.5	Very low	199 Å²	199	140.4 Å²	140.4	87%	0.865	76%	0.764	S	S	*	*			trans	-161.2	79.3	163.3	-112.4	164.3	-174.1	-174.3	0	111.6
341	G	35.5	Very low	45.6	Very low	81 Å²	81	144.3 Å²	144.3	84%	0.835	78%	0.783	S	S	*	*			trans	-77.5	135.2	157.1	0	0	0	0	0	110.9
342	G	33.2	Very low	44.1	Very low	79 Å²	79	144.4 Å²	144.4	81%	0.814	80%	0.796	S	S	*	*			trans	78.3	112.9	148.4	0	0	0	0	0	119
343	S	34.1	Very low	42.4	Very low	121 Å²	121	138.9 Å²	138.9	85%	0.846	80%	0.795	S	S	*	*				-179.5	143	105.4	-172.5	0	0	0	0	111.7
344	Y	36.3	Very low	41.1	Very low	224 Å²	224	139.3 Å²	139.3	88%	0.878	81%	0.805	S	S	*	*			trans	-71.1	155.8	-172.9	-82.9	-109.2	0	0	0	115.4
345	S	36.2	Very low	39.9	Very low	129 Å²	129	133.5 Å²	133.5	90%	0.902	81%	0.805	S	S	*	*			trans	-158.3	155.8	134	41.7	0	0	0	0	111.8
346	Q	35.2	Very low	39.2	Very low	184 Å²	184	131 Å²	131	86%	0.86	81%	0.809	S	S	*	*			trans	-121.2	151	-147.7	172.5	-177.8	-2.8	0	0	111.5
347	A	32.2	Very low	38.4	Very low	98 Å²	98	134.9 Å²	134.9	81%	0.81	82%	0.824	S	S	*	*			trans	66.6	149.4	161.9	0	0	0	0	0	118.1
348	A	34.3	Very low	37.7	Very low	91 Å²	91	136.8 Å²	136.8	75%	0.752	83%	0.832	S	S	*	*			cis	-152.4	143.1	20	0	0	0	0	0	110.3
349	S	33.5	Very low	37.3	Very low	113 Å²	113	133.3 Å²	133.3	79%	0.79	82%	0.82	S	S	*	*				64.6	107.7	100	-179.1	0	0	0	0	117
350	S	37.3	Very low	37	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	82%	0.824	S	S	*	*				160.8	110	127	42.7	0	0	0	0	108.5
351	D	36.7	Very low	37.1	Very low	159 Å²	159	127.7 Å²	127.7	85%	0.85	82%	0.82	S	S	*	*				61.8	104	90.3	-96.8	-8.4	0	0	0	115.4
352	S	42.9	Very low	37.4	Very low	129 Å²	129	127.9 Å²	127.9	90%	0.902	81%	0.814	S	S	*	*				-179.3	134.2	121.9	25.2	0	0	0	0	111.3
353	A	38.9	Very low	37.5	Very low	93 Å²	93	129.8 Å²	129.8	77%	0.769	81%	0.813	S	S	*	*			trans	-98.9	148.2	175.7	0	0	0	0	0	110.5
354	Q	39.9	Very low	37.8	Very low	205 Å²	205	133.1 Å²	133.1	96%	0.958	81%	0.813	S	S	*	*			trans	163.9	145.2	134.5	-99.1	179.7	-29	0	0	112
355	G	35	Very low	38.3	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	83%	0.832	S	S	*	*			trans	129.7	65.9	163.9	0	0	0	0	0	113
356	S	42.2	Very low	38.4	Very low	125 Å²	125	132.8 Å²	132.8	87%	0.874	83%	0.828	S	S	*	*				85.1	103.8	88.8	-58.7	0	0	0	0	114.2
357	D	38.2	Very low	38.5	Very low	156 Å²	156	130.1 Å²	130.1	83%	0.834	83%	0.827	S	S	*	*			trans	-47.8	168.9	164.1	-97.4	-40.5	0	0	0	119.5
358	V	37.8	Very low	38.9	Very low	126 Å²	126	131.8 Å²	131.8	76%	0.764	83%	0.828	S	S	*	*			trans	80.2	136.7	142.1	154.5	0	0	0	0	116
359	S	39	Very low	39.2	Very low	84 Å²	84	134.2 Å²	134.2	59%	0.587	83%	0.832	S	S	*	*			cis	-168.4	169.6	3.2	-87.7	0	0	0	0	107.7
360	L	39.9	Very low	39.5	Very low	178 Å²	178	135.6 Å²	135.6	93%	0.932	84%	0.835	S	S	*	*				-176	137.2	122.4	-96.3	164.1	0	0	0	111.9
361	T	40.9	Very low	39.7	Very low	126 Å²	126	137.2 Å²	137.2	77%	0.773	84%	0.839	S	S	*	*			trans	-112.5	136	-170.5	-39.2	0	0	0	0	109.6
362	A	41.4	Very low	39.9	Very low	85 Å²	85	135.6 Å²	135.6	70%	0.702	84%	0.838	S	S	*	*			trans	42.1	147.2	143.6	0	0	0	0	0	125.7
363	C	35.9	Very low	39.6	Very low	119 Å²	119	136.2 Å²	136.2	80%	0.804	83%	0.833	S	S	*	*			trans	95.1	109.1	141.7	-80.7	0	0	0	0	122.2
364	K	40.4	Very low	39.7	Very low	192 Å²	192	139.8 Å²	139.8	84%	0.835	84%	0.838	S	S	*	*				58.9	116.4	110.4	-151.9	177.3	-169.2	177.7	0	119.8
365	V	45.9	Very low	39.7	Very low	212 Å²	212	133.8 Å²	133.8	100%	1.285	83%	0.827	S	S	*	*				-136.1	0	126.4	176.8	0	0	0	0	107.5

Retrieved 365 of 365 residues in 182.3 ms (Link to these results)

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