A0A060VHC7_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VHC7, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 206 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	35.2	Very low	51.9	Low	239 Å²	239	135.7 Å²	135.7	100%	1.177	72%	0.721	S	S	*	*				0	113.8	0	-79.9	175.3	179.1	0	0	107.8
2	L	42.8	Very low	51.9	Low	178 Å²	178	135.1 Å²	135.1	93%	0.932	72%	0.717	S	S	*	*			trans	-82	112.6	171	-91.4	149.8	0	0	0	107.4	M4	L2-M4 PolarHBondContact O-N 3.06Å
3	V	50.4	Low	51.8	Low	137 Å²	137	132.7 Å²	132.7	83%	0.83	70%	0.704	S	S	*	*			trans	-73.2	106.3	174.5	177.6	0	0	0	0	107.3	A5	V3-A5 PolarHBondContact O-N 3.3Å
4	M	51.1	Low	51.7	Low	170 Å²	170	127.6 Å²	127.6	84%	0.837	68%	0.684	S	S	*	*			trans	-71.7	113	171.1	-79.5	-171.8	56.5	0	0	109.1	L2	L2-M4 PolarHBondContact O-N 3.06Å
5	A	53.9	Low	51.6	Low	67 Å²	67	122.6 Å²	122.6	55%	0.554	67%	0.667	S	S	*	*			trans	-61.5	138	169.4	0	0	0	0	0	109.8	V3 R7	V3-A5 PolarHBondContact O-N 3.3Å; A5-R7 PolarHBondContact O-N 3.41Å
6	P	58.6	Low	51.4	Low	75 Å²	75	118.8 Å²	118.8	49%	0.487	66%	0.658	S	S	.	*			trans	-62.6	133.4	-179.5	-15.9	27.9	0	0	0	110.7	T8 V9 L10	P6-T8 PolarHBondContact O-N 3.12Å; P6-V9 HydrophobicContact CB-CG2 4.22Å; P6-V9 HydrophobicContact CG-CG2 4.09Å; P6-V9 PolarHBondContact O-N 2.89Å; P6-L10 PolarHBondContact O-N 3.12Å
7	R	56.5	Low	51.2	Low	217 Å²	217	119.4 Å²	119.4	82%	0.819	66%	0.659	S	S	*	*	H	α-helix	trans	-50.2	-28.9	177	-96.3	179.9	164.1	130.1	-4.5	113.7	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.41Å; R7-L10 PolarHBondContact O-N 3.44Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 2.85Å
8	T	56.7	Low	50.9	Low	97 Å²	97	117.2 Å²	117.2	60%	0.595	66%	0.658	S	S	*	*	H	α-helix	trans	-68.6	-34.3	175.8	22.5	0	0	0	0	113.7	P6 L12	P6-T8 PolarHBondContact O-N 3.12Å; T8-L12 WeakPolarHBondContact O-CG 3.46Å; T8-L12 PolarHBondContact O-N 2.91Å
9	V	55.6	Low	50.4	Low	74 Å²	74	118.9 Å²	118.9	45%	0.448	67%	0.665	S	S	.	*	H	α-helix	trans	-71.3	-37.2	175.9	178.2	0	0	0	0	110.5	P6 L12 L13	P6-V9 HydrophobicContact CB-CG2 4.22Å; P6-V9 HydrophobicContact CG-CG2 4.09Å; P6-V9 PolarHBondContact O-N 2.89Å; V9-L12 PolarHBondContact O-N 2.63Å; V9-L13 HydrophobicContact CG1-CD1 4.25Å; V9-L13 PolarHBondContact O-N 2.65Å
10	L	53.2	Low	50.2	Low	122 Å²	122	117.1 Å²	117.1	64%	0.639	66%	0.657	S	S	*	*	H	α-helix	trans	-66	-36.8	177.2	-148.8	84	0	0	0	112.2	P6 R7 S14	P6-L10 PolarHBondContact O-N 3.12Å; R7-L10 PolarHBondContact O-N 3.44Å; L10-S14 PolarHBondContact O-N 2.84Å; L10-S14 PolarHBondContact O-OG 3.37Å
11	L	56.8	Low	50.1	Low	117 Å²	117	118.4 Å²	118.4	61%	0.613	66%	0.658	S	S	*	*	H	α-helix	trans	-71.2	-34.7	177.3	-76.7	164.1	0	0	0	113.4	R7 S14 A15	R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 2.85Å; L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 PolarHBondContact O-OG 2.97Å; L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 3.49Å
12	L	52.3	Low	51	Low	128 Å²	128	111.1 Å²	111.1	67%	0.67	63%	0.627	S	S	*	*	H	α-helix	trans	-70	-34.5	175.9	-71.8	166.4	0	0	0	111.9	T8 V9 A16	T8-L12 WeakPolarHBondContact O-CG 3.46Å; T8-L12 PolarHBondContact O-N 2.91Å; V9-L12 PolarHBondContact O-N 2.63Å; L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 2.83Å; L12-A16 VanDerWaalsContact O-N 3.07Å
13	L	50.8	Low	52	Low	104 Å²	104	104.5 Å²	104.5	55%	0.545	59%	0.59	S	S	.	*	H	α-helix	trans	-69	-38.7	174.8	-80.5	158.4	0	0	0	112.5	V9 A16 L17	V9-L13 HydrophobicContact CG1-CD1 4.25Å; V9-L13 PolarHBondContact O-N 2.65Å; L13-A16 PolarHBondContact O-N 2.89Å; L13-L17 PolarHBondContact O-N 2.97Å
14	S	50.5	Low	52.8	Low	62 Å²	62	102.5 Å²	102.5	43%	0.434	59%	0.588	S	S	.	*	H	α-helix	trans	-72.9	-30.9	175.5	31.6	0	0	0	0	113.3	L10 L11 A18	L10-S14 PolarHBondContact O-N 2.84Å; L10-S14 PolarHBondContact O-OG 3.37Å; L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 PolarHBondContact O-OG 2.97Å; S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 2.66Å
15	A	49.3	Very low	54.3	Low	52 Å²	52	95.8 Å²	95.8	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-67.6	-36.5	169.8	0	0	0	0	0	112.3	L11 A18 L19	L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 3.49Å; A15-A18 PolarHBondContact O-N 3.12Å; A15-L19 PolarHBondContact O-N 3.01Å
16	A	49.2	Very low	56.2	Low	62 Å²	62	96.2 Å²	96.2	51%	0.512	56%	0.561	S	S	.	*	H	α-helix	trans	-69.2	-35.7	175.3	0	0	0	0	0	112.9	L12 L13 L19	L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 2.83Å; L12-A16 VanDerWaalsContact O-N 3.07Å; L13-A16 PolarHBondContact O-N 2.89Å; A16-L19 PolarHBondContact O-N 3.24Å
17	L	46.7	Very low	58	Low	129 Å²	129	93.3 Å²	93.3	68%	0.675	54%	0.541	S	S	*	.	H	α-helix	trans	-72.1	-30.6	174.2	-83.1	153.9	0	0	0	113.2	L13 L19 T20	L13-L17 PolarHBondContact O-N 2.97Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.18Å; L17-T20 PolarHBondContact O-OG1 3.08Å
18	A	46.1	Very low	60	Low	79 Å²	79	83.9 Å²	83.9	65%	0.653	51%	0.508	S	S	*	.	H	α-helix	trans	-75.2	-16.6	176	0	0	0	0	0	113.5	S14 A15 T20	S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 2.66Å; A15-A18 PolarHBondContact O-N 3.12Å; A18-T20 VanDerWaalsContact C-N 3.34Å
19	L	42.5	Very low	62	Low	151 Å²	151	79.3 Å²	79.3	79%	0.791	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	0.8	176.9	-96.5	145.9	0	0	0	113.4	A15 A16 L17	A15-L19 PolarHBondContact O-N 3.01Å; A16-L19 PolarHBondContact O-N 3.24Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.18Å
20	T	45.8	Very low	64.1	Low	81 Å²	81	79.4 Å²	79.4	50%	0.497	47%	0.472	S	S	.	.			trans	-122.4	66.8	172	59.2	0	0	0	0	109.5	L17 A18 T22	L17-T20 PolarHBondContact O-OG1 3.08Å; A18-T20 VanDerWaalsContact C-N 3.34Å; T20-T22 PolarHBondContact O-N 2.87Å
21	E	48.7	Very low	66.2	Low	145 Å²	145	74.2 Å²	74.2	68%	0.678	44%	0.444	S	S	*	.			trans	-67	80.1	148.4	-87	-175.7	160.2	0	0	106.3	K200	E21-K200 IonicContact OE1-NZ 3.52Å; E21-K200 PolarHBondContact OE1-NZ 2.84Å; E21-K200 IonicContact OE2-NZ 2.95Å; E21-K200 PolarHBondContact OE2-NZ 2.87Å
22	T	53.2	Low	68.2	Low	87 Å²	87	72.4 Å²	72.4	53%	0.534	43%	0.431	S	S	.	.			trans	-68.7	126.1	160.4	47.8	0	0	0	0	106.4	T20 A24	T20-T22 PolarHBondContact O-N 2.87Å; T22-A24 PolarHBondContact O-N 2.9Å
23	W	63.3	Low	70.5	Confident	38 Å²	38	66.4 Å²	66.4	14%	0.144	40%	0.4	C	S	.	.			trans	-36.9	117.3	166.3	-63.6	92.6	0	0	0	108.8	G25 L196 E197 E204	W23-G25 PolarHBondContact O-N 3.22Å; W23-L196 HydrophobicContact CD2-CB 4.22Å; W23-L196 HydrophobicContact CD2-CD1 4.19Å; W23-L196 HydrophobicContact CE3-CB 3.71Å; W23-L196 HydrophobicContact CE3-CD1 4.09Å; W23-L196 HydrophobicContact CE3-CD2 4.4Å; W23-L196 HydrophobicContact CE3-CG 4.3Å; W23-L196 HydrophobicContact CH2-CB 3.35Å; W23-L196 VanDerWaalsContact CH2-O 3.31Å; W23-L196 WeakPolarHBondContact CH2-O 3.35Å; W23-L196 HydrophobicContact CZ2-CB 3.77Å; W23-L196 HydrophobicContact CZ3-CB 3.31Å; W23-L196 HydrophobicContact CZ3-CD2 4.45Å; W23-L196 HydrophobicContact CZ3-CG 4.3Å; W23-L196 WeakPolarHBondContact CZ3-O 3.47Å; W23-E197 HydrophobicContact CH2-CB 4.29Å; W23-E197 HydrophobicContact CZ2-CB 4.36Å; W23-E204 HydrophobicContact CE3-CG 4.15Å; W23-E204 HydrophobicContact CZ3-CG 3.91Å; W23-E204 WeakPolarHBondContact CZ3-OE1 3.29Å
24	A	67.1	Low	72.7	Confident	96 Å²	96	62.8 Å²	62.8	79%	0.793	38%	0.383	S	S	*	.	S	Bend	trans	-76.8	69.4	-171.2	0	0	0	0	0	110.3	T22	T22-A24 PolarHBondContact O-N 2.9Å
25	G	84.1	Confident	75	Confident	28 Å²	28	60 Å²	60	29%	0.289	36%	0.363	S	S	.	.	S	Bend	trans	138.4	-176.5	178.5	0	0	0	0	0	114	W23 P129	W23-G25 PolarHBondContact O-N 3.22Å; G25-P129 WeakPolarHBondContact O-CA 3.49Å
26	S	93.7	Very high	77.4	Confident	76 Å²	76	60.1 Å²	60.1	53%	0.531	36%	0.355	S	S	.	.			trans	-88.9	142.5	168.2	-74.5	0	0	0	0	109.4	V127 L134	S26-V127 CarbonylContact C-O 3.5Å; S26-V127 WeakPolarHBondContact CA-O 3.39Å; S26-V127 WeakPolarHBondContact CB-O 3.02Å; S26-V127 PolarHBondContact OG-O 3.03Å; S26-L134 WeakPolarHBondContact OG-CD1 3.47Å
27	H	96.3	Very high	79.7	Confident	15 Å²	15	58 Å²	58	7%	0.069	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	161	178.2	-65.7	-80.3	0	0	0	110.5	D53 D126 V127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 2.98Å; H27-D53 IonicContact CE1-OD2 3.77Å; H27-D53 IonicContact CG-OD2 3.69Å; H27-D53 IonicContact ND1-OD1 3.87Å; H27-D53 IonicContact ND1-OD2 3.08Å; H27-D53 PolarHBondContact ND1-OD2 3.32Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.33Å; H27-V127 HydrophobicContact CB-CG2 3.98Å; H27-V127 PolarHBondContact N-O 3.04Å; H27-V127 PolarHBondContact O-N 3.01Å; H27-L192 HydrophobicContact CB-CD1 4.42Å; H27-L192 HydrophobicContact CB-CD2 4.47Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.08Å; H27-L196 HydrophobicContact CB-CG 4.46Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.47Å
28	S	98.1	Very high	82	Confident	18 Å²	18	55.1 Å²	55.1	13%	0.126	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.5	177.7	64.5	0	0	0	0	112.2	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.47Å; S28-V52 WeakPolarHBondContact O-CA 3.25Å; S28-D53 PolarHBondContact N-OD1 3.44Å; S28-D53 PolarHBondContact O-N 2.95Å; S28-C125 CarbonylContact C-O 3.53Å; S28-C125 WeakPolarHBondContact CA-O 3.41Å; S28-D126 VanDerWaalsContact CB-OD1 3.24Å; S28-D126 WeakPolarHBondContact CB-OD1 3.43Å
29	M	98.7	Very high	84.2	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.3	165.1	-174.4	169	61.8	0	0	108.4	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.3Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.06Å; M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 VanDerWaalsContact CA-O 3.31Å; M29-Y51 WeakPolarHBondContact CA-O 3.31Å; M29-V52 HydrophobicContact CG-CG2 4.43Å; M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.29Å; M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.37Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 3.38Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.44Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; M29-W191 HydrophobicContact CE-CB 4.2Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 3.99Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.4Å; M29-L192 HydrophobicContact SD-CB 4.49Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.8	Very high	86.5	Confident	76 Å²	76	51 Å²	51	29%	0.287	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.6	178.1	-65	-164.8	-178.8	112.7	13.4	112.4	F32 G50 Y51 M122 Y123 D126	R30-F32 HydrophobicContact CB-CE2 3.76Å; R30-F32 HydrophobicContact CB-CZ 4.1Å; R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.43Å; R30-Y51 PolarHBondContact N-O 3.13Å; R30-Y51 PolarHBondContact O-N 3.08Å; R30-M122 HydrophobicContact CB-SD 4.49Å; R30-M122 VanDerWaalsContact CD-SD 3.6Å; R30-M122 HydrophobicContact CG-SD 4.12Å; R30-Y123 WeakPolarHBondContact CA-O 3.31Å; R30-D126 IonicContact CZ-OD1 3.58Å; R30-D126 IonicContact NH2-OD1 3.38Å; R30-D126 PolarHBondContact NH2-OD1 2.77Å; R30-D126 IonicContact NH2-OD2 3.77Å
31	Y	98.9	Very high	88.7	Confident	12 Å²	12	57.6 Å²	57.6	5%	0.047	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.1	167.6	-70.2	-93.1	0	0	0	109.5	M29 V49 F57 V58 F91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.3Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.06Å; Y31-V49 CarbonylContact C-O 3.45Å; Y31-V49 VanDerWaalsContact CA-O 3.32Å; Y31-V49 WeakPolarHBondContact CA-O 3.44Å; Y31-F57 HydrophobicContact CE1-CZ 4.22Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.36Å; Y31-V58 HydrophobicContact CE1-CG2 3.89Å; Y31-F91 HydrophobicContact CD1-CZ 4.2Å; Y31-F91 HydrophobicContact CE1-CZ 4.06Å; Y31-M122 WeakPolarHBondContact O-CA 3.32Å; Y31-Y123 WeakPolarHBondContact CB-OH 3.3Å; Y31-Y123 HydrophobicContact CD2-CD2 4.36Å; Y31-Y123 AromaticContact CD2-CE2 3.72Å; Y31-Y123 HydrophobicContact CD2-CE2 3.72Å; Y31-Y123 AromaticContact CG-CE2 3.86Å; Y31-Y123 HydrophobicContact CG-CE2 3.86Å; Y31-Y123 AromaticContact CG-CZ 3.78Å; Y31-Y123 PolarHBondContact N-O 3.49Å; Y31-Y123 PolarHBondContact O-N 2.83Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.9	Very high	90.8	Very high	79 Å²	79	53.6 Å²	53.6	35%	0.346	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	111.4	174.8	-58.7	-95.5	0	0	0	108.4	R30 S48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CE2 3.76Å; R30-F32 HydrophobicContact CB-CZ 4.1Å; F32-S48 WeakPolarHBondContact O-CA 3.48Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 3.35Å; F32-V49 PolarHBondContact O-N 3.37Å; F32-Y51 AromaticContact CD2-CD2 3.96Å; F32-Y51 HydrophobicContact CD2-CD2 3.96Å; F32-Y51 HydrophobicContact CD2-CE2 4.32Å; F32-Y51 AromaticContact CE2-CD2 3.9Å; F32-Y51 HydrophobicContact CE2-CD2 3.9Å; F32-Y51 HydrophobicContact CE2-CE2 4.44Å; F32-S121 WeakPolarHBondContact CA-O 3.19Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.8Å; F32-M122 HydrophobicContact CE1-CB 4.02Å; F32-M122 HydrophobicContact CE1-CG 3.43Å; F32-M122 VanDerWaalsContact CE1-CG 3.43Å; F32-M122 HydrophobicContact CZ-CG 3.94Å
33	D	98.9	Very high	92.8	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.011	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.6	174.8	-70.9	-8.6	0	0	0	108.9	F46 I47 S48 Y98 Q120 S121	D33-F46 HydrophobicContact CB-CE2 3.83Å; D33-F46 HydrophobicContact CB-CZ 3.96Å; D33-I47 CarbonylContact C-O 3.57Å; D33-I47 WeakPolarHBondContact CA-O 3.46Å; D33-S48 WeakPolarHBondContact OD1-CB 3.47Å; D33-S48 PolarHBondContact OD1-OG 3.1Å; D33-Y98 HydrophobicContact CB-CE1 4.06Å; D33-Y98 HydrophobicContact CB-CE2 4.23Å; D33-Y98 WeakPolarHBondContact CB-OH 3.14Å; D33-Y98 PolarHBondContact OD2-OH 3.04Å; D33-Q120 CarbonylContact O-C 3.58Å; D33-Q120 VanDerWaalsContact O-CA 3.25Å; D33-Q120 WeakPolarHBondContact O-CA 3.46Å; D33-S121 PolarHBondContact N-O 2.79Å; D33-S121 PolarHBondContact O-N 2.78Å
34	T	98.9	Very high	94.4	Very high	29 Å²	29	52.7 Å²	52.7	18%	0.178	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	121.6	176.7	-65.4	0	0	0	0	109.6	M36 F46 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CE 4.29Å; T34-M36 HydrophobicContact CG2-CG 4.02Å; T34-M36 HydrophobicContact CG2-SD 4.29Å; T34-F46 CarbonylContact O-C 3.6Å; T34-F46 WeakPolarHBondContact O-CA 3.23Å; T34-I47 PolarHBondContact N-O 2.9Å; T34-I47 PolarHBondContact O-N 3.13Å; T34-T118 HydrophobicContact CG2-CG2 3.94Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å
35	A	98.8	Very high	95.8	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.017	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.2	172.9	0	0	0	0	0	110.8	R45 F46 Y98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 WeakPolarHBondContact CA-O 3.46Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; A35-Y98 HydrophobicContact CB-CD1 3.61Å; A35-Y98 HydrophobicContact CB-CG 3.98Å; A35-L102 HydrophobicContact CB-CD1 3.82Å; A35-L102 HydrophobicContact CB-CG 4.5Å; A35-T118 CarbonylContact O-C 3.57Å; A35-T118 WeakPolarHBondContact O-CA 3.27Å; A35-L119 PolarHBondContact N-O 3.06Å; A35-L119 PolarHBondContact O-N 2.89Å
36	M	98.5	Very high	96.5	Very high	56 Å²	56	50.4 Å²	50.4	28%	0.276	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115	-178.1	-65.5	166	-71.5	0	0	109.8	T34 P44 R45 I47 H117 T118	T34-M36 HydrophobicContact CG2-CE 4.29Å; T34-M36 HydrophobicContact CG2-CG 4.02Å; T34-M36 HydrophobicContact CG2-SD 4.29Å; M36-P44 CarbonylContact O-C 3.56Å; M36-P44 WeakPolarHBondContact O-CA 3.24Å; M36-P44 WeakPolarHBondContact O-CB 3.34Å; M36-R45 HydrophobicContact CE-CB 4.07Å; M36-R45 HydrophobicContact CE-CG 4.3Å; M36-R45 PolarHBondContact N-O 2.91Å; M36-R45 PolarHBondContact O-N 2.99Å; M36-I47 HydrophobicContact CE-CD1 3.99Å; M36-H117 WeakPolarHBondContact CA-O 3.4Å; M36-T118 HydrophobicContact CG-CG2 3.84Å
37	S	97.7	Very high	96.8	Very high	18 Å²	18	48 Å²	48	13%	0.126	26%	0.258	C	S	.	.			trans	-69	147.2	172.3	77.1	0	0	0	0	110.5	S116 H117	S37-S116 PolarHBondContact O-OG 3.19Å; S37-H117 PolarHBondContact N-O 3.28Å; S37-H117 PolarHBondContact OG-N 3.31Å; S37-H117 PolarHBondContact OG-O 3.05Å
38	R	95.4	Very high	96.9	Very high	68 Å²	68	47.3 Å²	47.3	26%	0.257	26%	0.255	S	S	.	.			trans	-139.6	73.8	-175.8	-62.3	176.8	-73.9	-173.8	-4.7	110.3	G40 R41 E43 R45 D63	R38-G40 PolarHBondContact O-N 3.15Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 PolarHBondContact O-N 3.11Å; R38-E43 PolarHBondContact NE-O 3.06Å; R38-E43 PolarHBondContact NH2-O 3.41Å; R38-R45 VanDerWaalsContact CZ-CB 3.43Å; R38-R45 VanDerWaalsContact NH2-CA 3.26Å; R38-R45 VanDerWaalsContact NH2-CB 3.3Å; R38-R45 VanDerWaalsContact NH2-N 3.17Å; R38-D63 IonicContact CZ-OD1 3.45Å; R38-D63 IonicContact CZ-OD2 2.94Å; R38-D63 IonicContact NH1-OD1 2.77Å; R38-D63 IonicContact NH1-OD2 2.67Å; R38-D63 PolarHBondContact NH1-OD2 2.9Å; R38-D63 IonicContact NH2-OD1 3.28Å; R38-D63 PolarHBondContact NH2-OD1 2.86Å; R38-D63 IonicContact NH2-OD2 3.7Å; R38-D63 PolarHBondContact NH2-OD2 3.07Å
39	P	91.4	Very high	96.9	Very high	53 Å²	53	47.5 Å²	47.5	34%	0.344	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	129.5	-176.7	-26.7	34.3	0	0	0	112.1	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.35Å; P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 WeakPolarHBondContact CG-O 3.18Å; P39-G115 WeakPolarHBondContact CG-O 3.36Å
40	G	91.4	Very high	97	Very high	89 Å²	89	47.4 Å²	47.4	92%	0.918	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	3.1	-178.4	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.15Å
41	R	92.5	Very high	97	Very high	220 Å²	220	47 Å²	47	83%	0.83	25%	0.254	S	S	*	.	S	Bend	trans	-124.9	22.7	-179.9	-57.4	-174.5	-179.3	-173.7	0.3	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 PolarHBondContact O-N 3.11Å; P39-R41 PolarHBondContact O-N 3.35Å
42	G	91.6	Very high	96.9	Very high	61 Å²	61	46.5 Å²	46.5	63%	0.629	25%	0.252	S	S	*	.	S	Bend	trans	96.6	-158.7	178.3	0	0	0	0	0	113.8
43	E	95.3	Very high	96.8	Very high	87 Å²	87	44.5 Å²	44.5	41%	0.407	25%	0.245	S	C	.	.	S	Bend	trans	-72.6	157.3	-177.4	-68.3	-66.2	171	0	0	112.4	R38 R45 R99 R103	R38-E43 PolarHBondContact NE-O 3.06Å; R38-E43 PolarHBondContact NH2-O 3.41Å; E43-R45 PolarHBondContact O-N 2.92Å; E43-R99 WeakPolarHBondContact OE2-CD 3.46Å; E43-R99 IonicContact OE2-CZ 3.67Å; E43-R99 IonicContact OE2-NE 3.69Å; E43-R99 PolarHBondContact OE2-NE 2.82Å; E43-R103 IonicContact OE1-NH2 2.63Å; E43-R103 IonicContact OE2-NH2 2.91Å
44	P	97.1	Very high	96.6	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.123	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-53.6	138.5	174.3	-25.9	34.9	0	0	0	112.1	M36 R99 L102	M36-P44 CarbonylContact O-C 3.56Å; M36-P44 WeakPolarHBondContact O-CA 3.24Å; M36-P44 WeakPolarHBondContact O-CB 3.34Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.17Å; P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.83Å
45	R	98.3	Very high	96.5	Very high	74 Å²	74	53.1 Å²	53.1	28%	0.279	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.7	170.6	-166.7	171.8	179.4	178.9	-3.4	108.2	A35 M36 R38 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 WeakPolarHBondContact CA-O 3.46Å; M36-R45 HydrophobicContact CE-CB 4.07Å; M36-R45 HydrophobicContact CE-CG 4.3Å; M36-R45 PolarHBondContact N-O 2.91Å; M36-R45 PolarHBondContact O-N 2.99Å; R38-R45 VanDerWaalsContact CZ-CB 3.43Å; R38-R45 VanDerWaalsContact NH2-CA 3.26Å; R38-R45 VanDerWaalsContact NH2-CB 3.3Å; R38-R45 VanDerWaalsContact NH2-N 3.17Å; E43-R45 PolarHBondContact O-N 2.92Å; R45-I47 HydrophobicContact CG-CG1 4.22Å; R45-D61 IonicContact CZ-OD1 2.64Å; R45-D61 IonicContact CZ-OD2 3.49Å; R45-D61 IonicContact NE-OD1 2.79Å; R45-D61 PolarHBondContact NE-OD1 3.49Å; R45-D61 IonicContact NE-OD2 3.36Å; R45-D61 IonicContact NH2-OD1 3.65Å; R45-D61 PolarHBondContact NH2-OD1 3.41Å; R45-D61 IonicContact NH2-OD2 3.43Å; R45-D61 PolarHBondContact NH2-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.26Å; R45-D63 HydrophobicContact CG-CB 4.36Å; R45-D63 IonicContact NE-OD2 3.6Å; R45-D63 PolarHBondContact NE-OD2 3.48Å
46	F	98.8	Very high	96.5	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130	170.3	179.5	-95.9	0	0	0	109.9	D33 T34 A35 F60 S62 F91 N94 T95 Y98	D33-F46 HydrophobicContact CB-CE2 3.83Å; D33-F46 HydrophobicContact CB-CZ 3.96Å; T34-F46 CarbonylContact O-C 3.6Å; T34-F46 WeakPolarHBondContact O-CA 3.23Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; F46-F60 AromaticContact CD1-CD1 3.8Å; F46-F60 HydrophobicContact CD1-CD1 3.8Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.08Å; F46-F60 HydrophobicContact CE1-CE1 4.45Å; F46-S62 PolarHBondContact N-OG 3.42Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 2.86Å; F46-F91 HydrophobicContact CE1-CB 4.27Å; F46-F91 HydrophobicContact CE1-CD1 4.2Å; F46-N94 HydrophobicContact CE1-CB 4.15Å; F46-N94 HydrophobicContact CE2-CB 4.16Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; F46-T95 HydrophobicContact CB-CG2 3.9Å; F46-T95 VanDerWaalsContact CD1-OG1 3.27Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.18Å; F46-Y98 HydrophobicContact CD2-CD1 4.44Å; F46-Y98 HydrophobicContact CD2-CD2 4.16Å; F46-Y98 AromaticContact CD2-CG 3.98Å; F46-Y98 HydrophobicContact CD2-CG 3.98Å; F46-Y98 HydrophobicContact CE2-CD1 4.23Å; F46-Y98 AromaticContact CE2-CD2 3.6Å; F46-Y98 HydrophobicContact CE2-CD2 3.6Å; F46-Y98 HydrophobicContact CE2-CE1 4.43Å; F46-Y98 AromaticContact CE2-CE2 3.79Å; F46-Y98 HydrophobicContact CE2-CE2 3.79Å; F46-Y98 AromaticContact CE2-CG 3.82Å; F46-Y98 HydrophobicContact CE2-CG 3.82Å; F46-Y98 HydrophobicContact CZ-CE2 4.49Å
47	I	98.8	Very high	96.5	Very high	26 Å²	26	52.9 Å²	52.9	13%	0.133	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135	174.4	-59.4	172.2	0	0	0	107.1	D33 T34 M36 R45 V49 F60	D33-I47 CarbonylContact C-O 3.57Å; D33-I47 WeakPolarHBondContact CA-O 3.46Å; T34-I47 PolarHBondContact N-O 2.9Å; T34-I47 PolarHBondContact O-N 3.13Å; M36-I47 HydrophobicContact CE-CD1 3.99Å; R45-I47 HydrophobicContact CG-CG1 4.22Å; I47-V49 HydrophobicContact CG2-CG1 4.26Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å
48	S	98.8	Very high	96.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.9	166.6	-171.6	0	0	0	0	109.6	F32 D33 R59 F60 F91	F32-S48 WeakPolarHBondContact O-CA 3.48Å; D33-S48 WeakPolarHBondContact OD1-CB 3.47Å; D33-S48 PolarHBondContact OD1-OG 3.1Å; S48-R59 CarbonylContact O-C 3.58Å; S48-R59 WeakPolarHBondContact O-CA 3.48Å; S48-F60 PolarHBondContact N-O 3.29Å; S48-F60 PolarHBondContact O-N 2.85Å; S48-F91 VanDerWaalsContact CB-CE1 3.45Å; S48-F91 WeakPolarHBondContact OG-CE1 3.44Å
49	V	98.9	Very high	96.7	Very high	22 Å²	22	51.7 Å²	51.7	13%	0.133	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.2	172.6	-64.6	0	0	0	0	109.6	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.45Å; Y31-V49 VanDerWaalsContact CA-O 3.32Å; Y31-V49 WeakPolarHBondContact CA-O 3.44Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 3.35Å; F32-V49 PolarHBondContact O-N 3.37Å; I47-V49 HydrophobicContact CG2-CG1 4.26Å; V49-Y51 HydrophobicContact CB-CE2 4.24Å; V49-Y51 HydrophobicContact CG2-CD2 4.45Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; V49-V58 WeakPolarHBondContact CA-O 3.21Å; V49-R59 HydrophobicContact CG1-CB 4.38Å; V49-R59 HydrophobicContact CG1-CG 4.1Å
50	G	98.8	Very high	97.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.6	177.8	0	0	0	0	0	111	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.43Å; G50-Q56 CarbonylContact O-C 3.52Å; G50-Q56 WeakPolarHBondContact O-CA 3.3Å; G50-Q56 WeakPolarHBondContact O-CG 3.45Å; G50-F57 WeakPolarHBondContact O-CD1 3.38Å; G50-F57 PolarHBondContact O-N 3.46Å; G50-V58 PolarHBondContact N-O 2.84Å; G50-V58 PolarHBondContact O-N 3.2Å
51	Y	98.8	Very high	97.4	Very high	69 Å²	69	46.1 Å²	46.1	27%	0.271	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.5	176.9	-75.6	-99.8	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 VanDerWaalsContact CA-O 3.31Å; M29-Y51 WeakPolarHBondContact CA-O 3.31Å; R30-Y51 PolarHBondContact N-O 3.13Å; R30-Y51 PolarHBondContact O-N 3.08Å; F32-Y51 AromaticContact CD2-CD2 3.96Å; F32-Y51 HydrophobicContact CD2-CD2 3.96Å; F32-Y51 HydrophobicContact CD2-CE2 4.32Å; F32-Y51 AromaticContact CE2-CD2 3.9Å; F32-Y51 HydrophobicContact CE2-CD2 3.9Å; F32-Y51 HydrophobicContact CE2-CE2 4.44Å; V49-Y51 HydrophobicContact CB-CE2 4.24Å; V49-Y51 HydrophobicContact CG2-CD2 4.45Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; Y51-T55 WeakPolarHBondContact CA-O 3.31Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD2-CG 4.48Å; Y51-Q56 HydrophobicContact CE1-CB 3.59Å; Y51-Q56 HydrophobicContact CE1-CG 4.32Å; Y51-Q56 HydrophobicContact CE2-CB 4.2Å; Y51-Q56 HydrophobicContact CE2-CG 4.02Å
52	V	98.3	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.9	157.6	173.6	0	0	0	0	105.7	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.47Å; S28-V52 WeakPolarHBondContact O-CA 3.25Å; M29-V52 HydrophobicContact CG-CG2 4.43Å; V52-D54 PolarHBondContact O-N 3.07Å; V52-T55 PolarHBondContact N-O 3.21Å; V52-T55 WeakPolarHBondContact O-CB 3.12Å; V52-T55 PolarHBondContact O-N 3.36Å; V52-F57 HydrophobicContact CG2-CD1 3.89Å; V52-F57 HydrophobicContact CG2-CE1 3.93Å; V52-F57 HydrophobicContact CG2-CG 4.48Å; V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.3Å; V52-W75 HydrophobicContact CG2-CH2 3.83Å; V52-W75 HydrophobicContact CG2-CZ2 4.38Å; V52-L192 HydrophobicContact CG1-CD1 3.73Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V52-Y195 HydrophobicContact CG2-CD2 3.82Å; V52-Y195 HydrophobicContact CG2-CG 4.29Å; V52-L196 HydrophobicContact CG1-CD2 3.89Å; V52-L196 HydrophobicContact CG1-CG 4.38Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å
53	D	96	Very high	98	Very high	37 Å²	37	37.6 Å²	37.6	20%	0.198	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-124.6	-164.7	-56.9	-38.5	0	0	0	110.1	H27 S28	H27-D53 WeakPolarHBondContact CA-OD1 2.98Å; H27-D53 IonicContact CE1-OD2 3.77Å; H27-D53 IonicContact CG-OD2 3.69Å; H27-D53 IonicContact ND1-OD1 3.87Å; H27-D53 IonicContact ND1-OD2 3.08Å; H27-D53 PolarHBondContact ND1-OD2 3.32Å; S28-D53 PolarHBondContact N-OD1 3.44Å; S28-D53 PolarHBondContact O-N 2.95Å
54	D	95.1	Very high	98.1	Very high	157 Å²	157	35.2 Å²	35.2	84%	0.84	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	8.1	178.2	-63.3	-49.1	0	0	0	113.2	V52	V52-D54 PolarHBondContact O-N 3.07Å
55	T	96.9	Very high	98.1	Very high	55 Å²	55	39.9 Å²	39.9	34%	0.337	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.2	-177.3	-59.3	0	0	0	0	111.5	Y51 V52 F57 A73 L203	Y51-T55 WeakPolarHBondContact CA-O 3.31Å; V52-T55 PolarHBondContact N-O 3.21Å; V52-T55 WeakPolarHBondContact O-CB 3.12Å; V52-T55 PolarHBondContact O-N 3.36Å; T55-F57 PolarHBondContact O-N 2.82Å; T55-A73 HydrophobicContact CG2-CB 4.28Å; T55-L203 HydrophobicContact CG2-CD2 4.25Å
56	Q	98.4	Very high	98	Very high	53 Å²	53	40.2 Å²	40.2	25%	0.248	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	123.7	172.3	-167.1	-176.2	-5.6	0	0	110.2	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; G50-Q56 CarbonylContact O-C 3.52Å; G50-Q56 WeakPolarHBondContact O-CA 3.3Å; G50-Q56 WeakPolarHBondContact O-CG 3.45Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD2-CG 4.48Å; Y51-Q56 HydrophobicContact CE1-CB 3.59Å; Y51-Q56 HydrophobicContact CE1-CG 4.32Å; Y51-Q56 HydrophobicContact CE2-CB 4.2Å; Y51-Q56 HydrophobicContact CE2-CG 4.02Å; Q56-V58 PolarHBondContact NE2-O 3.45Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 CarbonylContact O-C 3.59Å; Q56-R72 WeakPolarHBondContact O-CB 3.12Å
57	F	98.4	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-23.5	-178.1	76.8	-81.8	0	0	0	114.1	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.29Å; Y31-F57 HydrophobicContact CE1-CZ 4.22Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.36Å; G50-F57 WeakPolarHBondContact O-CD1 3.38Å; G50-F57 PolarHBondContact O-N 3.46Å; V52-F57 HydrophobicContact CG2-CD1 3.89Å; V52-F57 HydrophobicContact CG2-CE1 3.93Å; V52-F57 HydrophobicContact CG2-CG 4.48Å; T55-F57 PolarHBondContact O-N 2.82Å; F57-R72 PolarHBondContact O-N 3.08Å; F57-A73 HydrophobicContact CB-CB 4.22Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4.06Å; F57-W75 HydrophobicContact CD1-CH2 4.19Å; F57-W75 AromaticContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CZ3 4.12Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.28Å; F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.9Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.25Å; F57-I76 VanDerWaalsContact O-CG2 3.32Å; F57-I76 WeakPolarHBondContact O-CG2 3.44Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.08Å; F57-Y195 HydrophobicContact CE2-CE1 4.48Å; F57-Y195 AromaticContact CE2-CE2 3.55Å; F57-Y195 HydrophobicContact CE2-CE2 3.55Å; F57-Y195 AromaticContact CE2-CZ 3.78Å; F57-Y195 HydrophobicContact CZ-CD2 4.11Å; F57-Y195 AromaticContact CZ-CE2 3.64Å; F57-Y195 HydrophobicContact CZ-CE2 3.64Å
58	V	98.6	Very high	97.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.6	176.5	-72.7	0	0	0	0	113.1	Y31 V49 G50 Q56 T69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.89Å; V49-V58 WeakPolarHBondContact CA-O 3.21Å; G50-V58 PolarHBondContact N-O 2.84Å; G50-V58 PolarHBondContact O-N 3.2Å; Q56-V58 PolarHBondContact NE2-O 3.45Å; V58-T69 HydrophobicContact CB-CG2 4.04Å; V58-T69 HydrophobicContact CG1-CG2 4.1Å; V58-E70 WeakPolarHBondContact CA-O 3.23Å; V58-I76 HydrophobicContact CG1-CG1 4.37Å; V58-W84 HydrophobicContact CG1-CH2 4.1Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å
59	R	98.8	Very high	97.9	Very high	60 Å²	60	48.1 Å²	48.1	23%	0.226	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.5	170.6	-179.1	176	174.9	85.5	5.6	111.1	S48 V49 D61 T69 E70 R72	S48-R59 CarbonylContact O-C 3.58Å; S48-R59 WeakPolarHBondContact O-CA 3.48Å; V49-R59 HydrophobicContact CG1-CB 4.38Å; V49-R59 HydrophobicContact CG1-CG 4.1Å; R59-D61 IonicContact CZ-OD2 3.67Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 2.87Å; R59-T69 CarbonylContact O-C 3.57Å; R59-T69 WeakPolarHBondContact O-CA 3.22Å; R59-E70 PolarHBondContact N-O 2.85Å; R59-E70 PolarHBondContact O-N 3.37Å; R59-R72 HydrophobicContact CB-CG 3.92Å
60	F	98.9	Very high	97.8	Very high	3 Å²	3	50 Å²	50	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.1	163.9	178	-87.5	0	0	0	109.5	F46 I47 S48 P67 F91 K92	F46-F60 AromaticContact CD1-CD1 3.8Å; F46-F60 HydrophobicContact CD1-CD1 3.8Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.08Å; F46-F60 HydrophobicContact CE1-CE1 4.45Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å; S48-F60 PolarHBondContact N-O 3.29Å; S48-F60 PolarHBondContact O-N 2.85Å; F60-P67 HydrophobicContact CE2-CB 4.02Å; F60-P67 HydrophobicContact CZ-CB 3.83Å; F60-F91 HydrophobicContact CB-CB 4Å; F60-F91 HydrophobicContact CB-CD2 3.65Å; F60-F91 HydrophobicContact CB-CE2 4.29Å; F60-F91 HydrophobicContact CB-CG 3.86Å; F60-F91 HydrophobicContact CD1-CB 3.71Å; F60-F91 HydrophobicContact CD1-CG 4.41Å; F60-F91 HydrophobicContact CD2-CB 3.63Å; F60-F91 HydrophobicContact CD2-CD2 4.17Å; F60-F91 HydrophobicContact CD2-CG 4.28Å; F60-F91 HydrophobicContact CE1-CB 4.04Å; F60-F91 HydrophobicContact CE2-CB 3.98Å; F60-F91 HydrophobicContact CG-CB 3.49Å; F60-F91 VanDerWaalsContact CG-CB 3.49Å; F60-F91 HydrophobicContact CG-CD2 4.02Å; F60-F91 AromaticContact CG-CG 3.94Å; F60-F91 HydrophobicContact CG-CG 3.94Å; F60-F91 HydrophobicContact CZ-CB 4.17Å; F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.14Å
61	D	98.8	Very high	97.8	Very high	21 Å²	21	52.4 Å²	52.4	11%	0.112	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	118.1	176.5	-159.8	-31.9	0	0	0	110.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.64Å; R45-D61 IonicContact CZ-OD2 3.49Å; R45-D61 IonicContact NE-OD1 2.79Å; R45-D61 PolarHBondContact NE-OD1 3.49Å; R45-D61 IonicContact NE-OD2 3.36Å; R45-D61 IonicContact NH2-OD1 3.65Å; R45-D61 PolarHBondContact NH2-OD1 3.41Å; R45-D61 IonicContact NH2-OD2 3.43Å; R45-D61 PolarHBondContact NH2-OD2 3.28Å; R59-D61 IonicContact CZ-OD2 3.67Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 2.87Å; D61-D63 PolarHBondContact O-N 2.72Å; D61-D63 PolarHBondContact OD1-N 2.92Å; D61-A64 HydrophobicContact CB-CB 4.48Å; D61-A64 WeakPolarHBondContact O-CB 3.43Å; D61-A64 PolarHBondContact O-N 3.2Å
62	S	98.4	Very high	97.8	Very high	27 Å²	27	54.8 Å²	54.8	19%	0.189	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.5	-178.3	70.6	0	0	0	0	113.4	F46 P67	F46-S62 PolarHBondContact N-OG 3.42Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 2.86Å; S62-P67 WeakPolarHBondContact O-CG 3.47Å
63	D	97.4	Very high	97.7	Very high	76 Å²	76	55 Å²	55	41%	0.406	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-4	-179.9	-78.8	7.9	0	0	0	113	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.45Å; R38-D63 IonicContact CZ-OD2 2.94Å; R38-D63 IonicContact NH1-OD1 2.77Å; R38-D63 IonicContact NH1-OD2 2.67Å; R38-D63 PolarHBondContact NH1-OD2 2.9Å; R38-D63 IonicContact NH2-OD1 3.28Å; R38-D63 PolarHBondContact NH2-OD1 2.86Å; R38-D63 IonicContact NH2-OD2 3.7Å; R38-D63 PolarHBondContact NH2-OD2 3.07Å; R45-D63 WeakPolarHBondContact CD-OD2 3.26Å; R45-D63 HydrophobicContact CG-CB 4.36Å; R45-D63 IonicContact NE-OD2 3.6Å; R45-D63 PolarHBondContact NE-OD2 3.48Å; D61-D63 PolarHBondContact O-N 2.72Å; D61-D63 PolarHBondContact OD1-N 2.92Å
64	A	97.4	Very high	97.7	Very high	36 Å²	36	58.4 Å²	58.4	30%	0.298	33%	0.327	S	S	.	.	S	Bend	trans	-61.8	149	174.9	0	0	0	0	0	110.6	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.48Å; D61-A64 WeakPolarHBondContact O-CB 3.43Å; D61-A64 PolarHBondContact O-N 3.2Å; A64-S66 PolarHBondContact O-N 3Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.42Å
65	A	96.9	Very high	97.7	Very high	117 Å²	117	51.6 Å²	51.6	97%	0.967	29%	0.29	S	S	*	.	S	Bend	trans	-58.8	-30.5	178.8	0	0	0	0	0	112.8
66	S	96.6	Very high	97.8	Very high	81 Å²	81	49 Å²	49	57%	0.566	27%	0.274	S	S	*	.	S	Bend	trans	-132.3	89.8	170.1	-170.8	0	0	0	0	108.4	A64 R68	A64-S66 PolarHBondContact O-N 3Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 3.19Å; S66-R68 VanDerWaalsContact O-N 3.07Å
67	P	97.4	Very high	97.6	Very high	39 Å²	39	52.8 Å²	52.8	25%	0.253	29%	0.292	S	S	.	.			trans	-62.9	111.8	-175.9	-24.5	35.5	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 4.02Å; F60-P67 HydrophobicContact CZ-CB 3.83Å; S62-P67 WeakPolarHBondContact O-CG 3.47Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.42Å; P67-K92 VanDerWaalsContact O-CE 3.29Å; P67-K92 WeakPolarHBondContact O-CE 3.28Å
68	R	98.2	Very high	97.5	Very high	149 Å²	149	58.5 Å²	58.5	56%	0.562	32%	0.319	S	S	*	.			trans	-146.4	160.6	177.4	64	-176.9	170.1	170.9	-2.8	110.6	S66 E70 T88	S66-R68 PolarHBondContact O-N 3.19Å; S66-R68 VanDerWaalsContact O-N 3.07Å; R68-E70 HydrophobicContact CG-CG 4.18Å; R68-T88 HydrophobicContact CB-CG2 4.18Å
69	T	98.4	Very high	97.4	Very high	7 Å²	7	59 Å²	59	4%	0.043	32%	0.321	C	S	.	.			trans	-73.3	132.7	170.3	-44.5	0	0	0	0	108.6	V58 R59 W84 N87 T88 F91	V58-T69 HydrophobicContact CB-CG2 4.04Å; V58-T69 HydrophobicContact CG1-CG2 4.1Å; R59-T69 CarbonylContact O-C 3.57Å; R59-T69 WeakPolarHBondContact O-CA 3.22Å; T69-W84 HydrophobicContact CG2-CE3 4.15Å; T69-W84 HydrophobicContact CG2-CZ3 3.96Å; T69-N87 HydrophobicContact CG2-CB 4.33Å; T69-T88 PolarHBondContact N-OG1 3.25Å; T69-T88 WeakPolarHBondContact OG1-CA 3.4Å; T69-T88 PolarHBondContact OG1-N 3.09Å; T69-T88 VanDerWaalsContact OG1-N 3.12Å; T69-T88 PolarHBondContact OG1-OG1 3.04Å; T69-F91 HydrophobicContact CG2-CD2 4.23Å; T69-F91 HydrophobicContact CG2-CE2 3.81Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.4Å
70	E	98.3	Very high	97.4	Very high	61 Å²	61	57.5 Å²	57.5	29%	0.285	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.1	-176.9	-62.7	178.7	155	0	0	110.6	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.23Å; R59-E70 PolarHBondContact N-O 2.85Å; R59-E70 PolarHBondContact O-N 3.37Å; R68-E70 HydrophobicContact CG-CG 4.18Å; E70-R72 IonicContact OE2-CZ 3.8Å; E70-R72 IonicContact OE2-NH2 3.63Å; E70-R72 PolarHBondContact OE2-NH2 3.16Å
71	P	98.3	Very high	97.3	Very high	50 Å²	50	61.2 Å²	61.2	33%	0.325	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	146	173.2	30.1	-35.4	0	0	0	110.8	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.57Å; P71-E77 HydrophobicContact CB-CG 3.83Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 4.04Å; P71-W84 HydrophobicContact CG-CH2 4.32Å
72	R	98.3	Very high	97.3	Very high	119 Å²	119	67 Å²	67	45%	0.449	38%	0.375	S	S	.	.			trans	-129.1	-1.4	175.5	-60	-65.3	170.3	176.1	-2.5	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 CarbonylContact O-C 3.59Å; Q56-R72 WeakPolarHBondContact O-CB 3.12Å; F57-R72 PolarHBondContact O-N 3.08Å; R59-R72 HydrophobicContact CB-CG 3.92Å; E70-R72 IonicContact OE2-CZ 3.8Å; E70-R72 IonicContact OE2-NH2 3.63Å; E70-R72 PolarHBondContact OE2-NH2 3.16Å
73	A	96.4	Very high	97.2	Very high	5 Å²	5	66.3 Å²	66.3	4%	0.041	37%	0.368	C	S	.	.	S	Bend	trans	-136.2	147.2	171.9	0	0	0	0	0	110.4	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.28Å; F57-A73 HydrophobicContact CB-CB 4.22Å; A73-W75 VanDerWaalsContact C-N 3.31Å; A73-W75 HydrophobicContact CB-CD2 4.22Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.06Å; A73-W75 PolarHBondContact O-N 3.26Å; A73-I76 WeakPolarHBondContact O-CG2 3.48Å; A73-I76 PolarHBondContact O-N 3.07Å
74	P	96.3	Very high	97.3	Very high	108 Å²	108	64.6 Å²	64.6	70%	0.701	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-60.2	-37.6	-177.3	-26	35.1	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 3Å; P74-E77 WeakPolarHBondContact O-CB 3.43Å; P74-E77 PolarHBondContact O-N 2.9Å; P74-E77 VanDerWaalsContact O-N 3.12Å
75	W	95.4	Very high	97.3	Very high	14 Å²	14	68.4 Å²	68.4	5%	0.053	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-69.5	-16.2	-175.3	54.2	-106.6	0	0	0	114.3	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.3Å; V52-W75 HydrophobicContact CG2-CH2 3.83Å; V52-W75 HydrophobicContact CG2-CZ2 4.38Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4.06Å; F57-W75 HydrophobicContact CD1-CH2 4.19Å; F57-W75 AromaticContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CZ3 4.12Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.28Å; A73-W75 VanDerWaalsContact C-N 3.31Å; A73-W75 HydrophobicContact CB-CD2 4.22Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.06Å; A73-W75 PolarHBondContact O-N 3.26Å; W75-Q78 WeakPolarHBondContact O-CG 3.22Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 AromaticContact CZ3-CG 3.75Å; W75-Y195 HydrophobicContact CZ3-CG 3.75Å; W75-N198 HydrophobicContact CB-CB 4.48Å; W75-N198 WeakPolarHBondContact CB-O 3.37Å; W75-N198 HydrophobicContact CE3-CB 4.33Å; W75-L203 HydrophobicContact CZ2-CD1 4.05Å; W75-L203 HydrophobicContact CZ2-CD2 4.49Å
76	I	97.4	Very high	97.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-85.3	-18.7	174.5	-163.1	71.1	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.9Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.25Å; F57-I76 VanDerWaalsContact O-CG2 3.32Å; F57-I76 WeakPolarHBondContact O-CG2 3.44Å; V58-I76 HydrophobicContact CG1-CG1 4.37Å; P71-I76 HydrophobicContact CB-CG2 3.57Å; A73-I76 WeakPolarHBondContact O-CG2 3.48Å; A73-I76 PolarHBondContact O-N 3.07Å; P74-I76 PolarHBondContact O-N 3Å; I76-Q78 PolarHBondContact O-N 2.83Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.44Å; I76-E79 WeakPolarHBondContact O-CG 3.48Å; I76-E79 PolarHBondContact O-N 3.3Å; I76-Y83 HydrophobicContact CD1-CE1 4.2Å; I76-Y83 HydrophobicContact CG1-CE1 4.19Å; I76-W84 HydrophobicContact CB-CH2 4.44Å; I76-W84 HydrophobicContact CG1-CH2 3.76Å; I76-W84 HydrophobicContact CG1-CZ2 4Å; I76-W84 HydrophobicContact CG2-CH2 3.9Å; I76-W84 HydrophobicContact CG2-CZ2 4.27Å; I76-W84 WeakPolarHBondContact O-CZ2 3.46Å; I76-Y195 HydrophobicContact CD1-CD1 3.66Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å
77	E	96.1	Very high	97.5	Very high	134 Å²	134	65.2 Å²	65.2	63%	0.626	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20	-177.3	-63.8	-176.3	-173.3	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.83Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.43Å; P74-E77 PolarHBondContact O-N 2.9Å; P74-E77 VanDerWaalsContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.79Å
78	Q	95.3	Very high	97.5	Very high	120 Å²	120	64 Å²	64	56%	0.561	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-12.5	175.3	73.9	-172.6	30	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.22Å; I76-Q78 PolarHBondContact O-N 2.83Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 2.75Å; Q78-N198 PolarHBondContact NE2-OD1 2.89Å
79	E	97.4	Very high	97.5	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.056	31%	0.313	C	S	.	.	S	Bend	trans	-67.1	138.3	175.2	-66.9	-62.2	163.6	0	0	111.2	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.44Å; I76-E79 WeakPolarHBondContact O-CG 3.48Å; I76-E79 PolarHBondContact O-N 3.3Å; E77-E79 PolarHBondContact O-N 2.79Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CD2 4.5Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; E79-W84 PolarHBondContact O-NE1 2.88Å; E79-R194 IonicContact OE1-CZ 2.78Å; E79-R194 IonicContact OE1-NE 3.07Å; E79-R194 PolarHBondContact OE1-NE 2.81Å; E79-R194 IonicContact OE1-NH2 3.44Å; E79-R194 PolarHBondContact OE1-NH2 2.83Å; E79-R194 IonicContact OE2-CZ 3.66Å; E79-R194 IonicContact OE2-NE 3.83Å; E79-R194 PolarHBondContact OE2-NE 3.28Å; E79-R194 IonicContact OE2-NH2 2.79Å; E79-R194 PolarHBondContact OE2-NH2 2.77Å; E79-N198 PolarHBondContact OE1-ND2 3.31Å
80	G	97.3	Very high	97.5	Very high	28 Å²	28	65.4 Å²	65.4	29%	0.289	33%	0.329	S	S	.	.			trans	-70	167.2	-175.7	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.84Å; G80-Y83 WeakPolarHBondContact O-CB 3.23Å; G80-Y83 PolarHBondContact O-N 2.79Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; G80-W84 PolarHBondContact O-N 3.32Å
81	P	97.4	Very high	97.5	Very high	82 Å²	82	62.6 Å²	62.6	53%	0.532	32%	0.316	S	S	.	.	H	α-helix	trans	-57.4	-33.9	-179.1	23.3	-32.5	0	0	0	113.1	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.92Å; P81-W84 PolarHBondContact O-N 2.8Å; P81-W84 VanDerWaalsContact O-N 3.13Å; P81-D85 WeakPolarHBondContact O-CB 3.19Å; P81-D85 PolarHBondContact O-N 2.89Å
82	E	98.1	Very high	97.5	Very high	142 Å²	142	64.6 Å²	64.6	66%	0.664	32%	0.319	S	S	*	.	H	α-helix	trans	-62.1	-35.1	178.8	-61.3	77.4	-170	0	0	112.2	G80 R86	G80-E82 PolarHBondContact O-N 2.84Å; E82-R86 WeakPolarHBondContact O-CB 3.19Å; E82-R86 PolarHBondContact O-N 3.26Å
83	Y	97.8	Very high	97.6	Very high	12 Å²	12	62.2 Å²	62.2	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-47.7	174.7	168.8	-93.6	0	0	0	110.6	I76 E79 G80 P81 R86 N87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.2Å; I76-Y83 HydrophobicContact CG1-CE1 4.19Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CD2 4.5Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.23Å; G80-Y83 PolarHBondContact O-N 2.79Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.92Å; Y83-R86 PolarHBondContact O-N 2.83Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.37Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.12Å; Y83-N87 VanDerWaalsContact CZ-ND2 3.32Å; Y83-N87 WeakPolarHBondContact O-CB 3.35Å; Y83-N87 PolarHBondContact O-N 3.2Å; Y83-N87 PolarHBondContact O-ND2 3.39Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.96Å; Y83-W191 HydrophobicContact CE2-CH2 3.96Å; Y83-W191 AromaticContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CZ3 3.72Å; Y83-Y195 HydrophobicContact CE2-CE1 4.45Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 3.07Å
84	W	98.4	Very high	97.6	Very high	40 Å²	40	63.6 Å²	63.6	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-41.5	-178.3	-65	111.6	0	0	0	112.6	V58 T69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.1Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å; T69-W84 HydrophobicContact CG2-CE3 4.15Å; T69-W84 HydrophobicContact CG2-CZ3 3.96Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 4.04Å; P71-W84 HydrophobicContact CG-CH2 4.32Å; I76-W84 HydrophobicContact CB-CH2 4.44Å; I76-W84 HydrophobicContact CG1-CH2 3.76Å; I76-W84 HydrophobicContact CG1-CZ2 4Å; I76-W84 HydrophobicContact CG2-CH2 3.9Å; I76-W84 HydrophobicContact CG2-CZ2 4.27Å; I76-W84 WeakPolarHBondContact O-CZ2 3.46Å; E79-W84 PolarHBondContact O-NE1 2.88Å; G80-W84 PolarHBondContact O-N 3.32Å; P81-W84 PolarHBondContact O-N 2.8Å; P81-W84 VanDerWaalsContact O-N 3.13Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.5Å; W84-T88 PolarHBondContact O-OG1 2.88Å
85	D	98.4	Very high	97.7	Very high	116 Å²	116	59.1 Å²	59.1	62%	0.62	30%	0.295	S	S	*	.	H	α-helix	trans	-65.5	-45.9	177.4	-75.2	-17.5	0	0	0	111.1	P81 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.19Å; P81-D85 PolarHBondContact O-N 2.89Å; D85-T88 PolarHBondContact O-N 3.34Å; D85-Q89 PolarHBondContact O-N 3.39Å
86	R	98.2	Very high	97.9	Very high	118 Å²	118	62.4 Å²	62.4	45%	0.445	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-50.7	177.4	-174.1	-175.7	72.8	177.5	2.9	111.7	E82 Y83 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.19Å; E82-R86 PolarHBondContact O-N 3.26Å; Y83-R86 PolarHBondContact O-N 2.83Å; R86-T88 VanDerWaalsContact C-N 3.33Å; R86-T88 PolarHBondContact O-N 2.81Å; R86-Q89 PolarHBondContact O-N 2.86Å; R86-I90 HydrophobicContact CG-CD1 4.13Å; R86-I90 WeakPolarHBondContact O-CG1 3.11Å; R86-I90 PolarHBondContact O-N 3.39Å
87	N	98.1	Very high	97.9	Very high	13 Å²	13	65.6 Å²	65.6	7%	0.07	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-38.8	-179.8	-78.3	-77.8	0	0	0	111.8	T69 Y83 Q89 I90 F91	T69-N87 HydrophobicContact CG2-CB 4.33Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.37Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.12Å; Y83-N87 VanDerWaalsContact CZ-ND2 3.32Å; Y83-N87 WeakPolarHBondContact O-CB 3.35Å; Y83-N87 PolarHBondContact O-N 3.2Å; Y83-N87 PolarHBondContact O-ND2 3.39Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 3.29Å; N87-I90 PolarHBondContact O-N 3.12Å; N87-F91 HydrophobicContact CB-CE2 4.33Å; N87-F91 WeakPolarHBondContact O-CD2 3.43Å; N87-F91 PolarHBondContact O-N 3.22Å
88	T	98.6	Very high	98	Very high	14 Å²	14	59.7 Å²	59.7	9%	0.086	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-42.6	174.2	-65.2	0	0	0	0	111.5	R68 T69 W84 D85 R86 F91 K92	R68-T88 HydrophobicContact CB-CG2 4.18Å; T69-T88 PolarHBondContact N-OG1 3.25Å; T69-T88 WeakPolarHBondContact OG1-CA 3.4Å; T69-T88 PolarHBondContact OG1-N 3.09Å; T69-T88 VanDerWaalsContact OG1-N 3.12Å; T69-T88 PolarHBondContact OG1-OG1 3.04Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.5Å; W84-T88 PolarHBondContact O-OG1 2.88Å; D85-T88 PolarHBondContact O-N 3.34Å; R86-T88 VanDerWaalsContact C-N 3.33Å; R86-T88 PolarHBondContact O-N 2.81Å; T88-F91 PolarHBondContact O-N 2.73Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CB 3.47Å; T88-K92 WeakPolarHBondContact O-CG 3.29Å; T88-K92 PolarHBondContact O-N 3.02Å
89	Q	98.6	Very high	98.2	Very high	113 Å²	113	56.3 Å²	56.3	53%	0.528	29%	0.285	S	S	.	.	H	α-helix	trans	-67.6	-38.7	177.8	-170.9	57.7	26.9	0	0	112.2	D85 R86 N87 K92 T93	D85-Q89 PolarHBondContact O-N 3.39Å; R86-Q89 PolarHBondContact O-N 2.86Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 3.29Å; Q89-K92 PolarHBondContact O-N 2.85Å; Q89-T93 PolarHBondContact O-N 3.19Å; Q89-T93 PolarHBondContact O-OG1 3.24Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å
90	I	98	Very high	98.2	Very high	72 Å²	72	61.2 Å²	61.2	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-58.5	-50.8	173.8	-69.9	165.8	0	0	0	110.3	R86 N87 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.13Å; R86-I90 WeakPolarHBondContact O-CG1 3.11Å; R86-I90 PolarHBondContact O-N 3.39Å; N87-I90 PolarHBondContact O-N 3.12Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 2.87Å; I90-T93 WeakPolarHBondContact O-CB 3.34Å; I90-T93 PolarHBondContact O-N 3.44Å; I90-T93 VanDerWaalsContact O-N 3.12Å; I90-N94 PolarHBondContact O-N 3.38Å; I90-N94 PolarHBondContact O-OD1 3.19Å
91	F	98.5	Very high	98.2	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-68.1	-29.4	-179.5	-65.3	-50.7	0	0	0	113.7	Y31 F46 S48 F60 T69 N87 T88 N94 T95	Y31-F91 HydrophobicContact CD1-CZ 4.2Å; Y31-F91 HydrophobicContact CE1-CZ 4.06Å; F46-F91 HydrophobicContact CE1-CB 4.27Å; F46-F91 HydrophobicContact CE1-CD1 4.2Å; S48-F91 VanDerWaalsContact CB-CE1 3.45Å; S48-F91 WeakPolarHBondContact OG-CE1 3.44Å; F60-F91 HydrophobicContact CB-CB 4Å; F60-F91 HydrophobicContact CB-CD2 3.65Å; F60-F91 HydrophobicContact CB-CE2 4.29Å; F60-F91 HydrophobicContact CB-CG 3.86Å; F60-F91 HydrophobicContact CD1-CB 3.71Å; F60-F91 HydrophobicContact CD1-CG 4.41Å; F60-F91 HydrophobicContact CD2-CB 3.63Å; F60-F91 HydrophobicContact CD2-CD2 4.17Å; F60-F91 HydrophobicContact CD2-CG 4.28Å; F60-F91 HydrophobicContact CE1-CB 4.04Å; F60-F91 HydrophobicContact CE2-CB 3.98Å; F60-F91 HydrophobicContact CG-CB 3.49Å; F60-F91 VanDerWaalsContact CG-CB 3.49Å; F60-F91 HydrophobicContact CG-CD2 4.02Å; F60-F91 AromaticContact CG-CG 3.94Å; F60-F91 HydrophobicContact CG-CG 3.94Å; F60-F91 HydrophobicContact CZ-CB 4.17Å; T69-F91 HydrophobicContact CG2-CD2 4.23Å; T69-F91 HydrophobicContact CG2-CE2 3.81Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.4Å; N87-F91 HydrophobicContact CB-CE2 4.33Å; N87-F91 WeakPolarHBondContact O-CD2 3.43Å; N87-F91 PolarHBondContact O-N 3.22Å; T88-F91 PolarHBondContact O-N 2.73Å; F91-N94 PolarHBondContact O-N 2.85Å; F91-T95 PolarHBondContact O-N 3.08Å; F91-T95 PolarHBondContact O-OG1 3.09Å
92	K	98.4	Very high	98.3	Very high	91 Å²	91	58.2 Å²	58.2	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-41.5	169.9	-77.3	177	178.1	175.7	0	112	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.14Å; P67-K92 VanDerWaalsContact O-CE 3.29Å; P67-K92 WeakPolarHBondContact O-CE 3.28Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CB 3.47Å; T88-K92 WeakPolarHBondContact O-CG 3.29Å; T88-K92 PolarHBondContact O-N 3.02Å; Q89-K92 PolarHBondContact O-N 2.85Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 2.87Å; K92-T95 WeakPolarHBondContact O-CB 3.4Å; K92-T95 PolarHBondContact O-N 3.4Å; K92-Q96 PolarHBondContact O-N 3.49Å
93	T	98.4	Very high	98.2	Very high	70 Å²	70	57.8 Å²	57.8	43%	0.429	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-48.4	172.9	-59.6	0	0	0	0	110.6	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 3.19Å; Q89-T93 PolarHBondContact O-OG1 3.24Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å; I90-T93 WeakPolarHBondContact O-CB 3.34Å; I90-T93 PolarHBondContact O-N 3.44Å; I90-T93 VanDerWaalsContact O-N 3.12Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.23Å; T93-Q96 WeakPolarHBondContact O-CB 3.37Å; T93-Q96 PolarHBondContact O-N 2.77Å; T93-T97 PolarHBondContact O-N 2.96Å; T93-T97 PolarHBondContact O-OG1 3.46Å
94	N	98.1	Very high	98.2	Very high	34 Å²	34	61.1 Å²	61.1	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-38.7	177.4	-70.5	7.9	0	0	0	111.7	F46 I90 F91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.15Å; F46-N94 HydrophobicContact CE2-CB 4.16Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; I90-N94 PolarHBondContact O-N 3.38Å; I90-N94 PolarHBondContact O-OD1 3.19Å; F91-N94 PolarHBondContact O-N 2.85Å; N94-Q96 PolarHBondContact O-N 3.49Å; N94-T97 PolarHBondContact O-N 2.89Å; N94-T97 VanDerWaalsContact O-N 3.13Å; N94-Y98 HydrophobicContact CB-CD2 4.31Å; N94-Y98 HydrophobicContact CB-CE2 4.39Å; N94-Y98 VanDerWaalsContact O-CD2 3.25Å; N94-Y98 WeakPolarHBondContact O-CD2 3.39Å; N94-Y98 PolarHBondContact O-N 2.88Å
95	T	98.5	Very high	98.2	Very high	13 Å²	13	59.6 Å²	59.6	8%	0.08	29%	0.289	C	S	.	.	H	α-helix	trans	-54	-39.7	174.8	-59.5	0	0	0	0	111.9	F46 F91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.9Å; F46-T95 VanDerWaalsContact CD1-OG1 3.27Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.18Å; F91-T95 PolarHBondContact O-N 3.08Å; F91-T95 PolarHBondContact O-OG1 3.09Å; K92-T95 WeakPolarHBondContact O-CB 3.4Å; K92-T95 PolarHBondContact O-N 3.4Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.23Å; T95-R99 WeakPolarHBondContact O-CB 3.36Å; T95-R99 PolarHBondContact O-N 3.23Å
96	Q	98.3	Very high	98.1	Very high	84 Å²	84	57.4 Å²	57.4	39%	0.393	27%	0.272	S	S	.	.	H	α-helix	trans	-73.7	-45.2	176.1	-55.4	-49.5	-57.3	0	0	111.7	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.49Å; T93-Q96 WeakPolarHBondContact O-CB 3.37Å; T93-Q96 PolarHBondContact O-N 2.77Å; N94-Q96 PolarHBondContact O-N 3.49Å; Q96-Y98 VanDerWaalsContact C-N 3.32Å; Q96-Y98 PolarHBondContact O-N 2.8Å; Q96-R99 WeakPolarHBondContact O-CB 3.39Å; Q96-R99 PolarHBondContact O-N 3.4Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.27Å; Q96-E100 PolarHBondContact O-N 3.17Å
97	T	98.2	Very high	98.1	Very high	67 Å²	67	53.9 Å²	53.9	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-43.1	178.4	-57.2	0	0	0	0	112.2	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 2.96Å; T93-T97 PolarHBondContact O-OG1 3.46Å; N94-T97 PolarHBondContact O-N 2.89Å; N94-T97 VanDerWaalsContact O-N 3.13Å; T97-E100 PolarHBondContact O-N 3.03Å; T97-S101 WeakPolarHBondContact O-CB 3.44Å; T97-S101 PolarHBondContact O-N 2.9Å; T97-S101 PolarHBondContact O-OG 3.29Å
98	Y	98.4	Very high	98.1	Very high	10 Å²	10	55.7 Å²	55.7	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-70.9	-34.1	178.3	-84.8	-106	0	0	0	112.3	D33 A35 F46 N94 Q96 S101 L102 L119 S121	D33-Y98 HydrophobicContact CB-CE1 4.06Å; D33-Y98 HydrophobicContact CB-CE2 4.23Å; D33-Y98 WeakPolarHBondContact CB-OH 3.14Å; D33-Y98 PolarHBondContact OD2-OH 3.04Å; A35-Y98 HydrophobicContact CB-CD1 3.61Å; A35-Y98 HydrophobicContact CB-CG 3.98Å; F46-Y98 HydrophobicContact CD2-CD1 4.44Å; F46-Y98 HydrophobicContact CD2-CD2 4.16Å; F46-Y98 AromaticContact CD2-CG 3.98Å; F46-Y98 HydrophobicContact CD2-CG 3.98Å; F46-Y98 HydrophobicContact CE2-CD1 4.23Å; F46-Y98 AromaticContact CE2-CD2 3.6Å; F46-Y98 HydrophobicContact CE2-CD2 3.6Å; F46-Y98 HydrophobicContact CE2-CE1 4.43Å; F46-Y98 AromaticContact CE2-CE2 3.79Å; F46-Y98 HydrophobicContact CE2-CE2 3.79Å; F46-Y98 AromaticContact CE2-CG 3.82Å; F46-Y98 HydrophobicContact CE2-CG 3.82Å; F46-Y98 HydrophobicContact CZ-CE2 4.49Å; N94-Y98 HydrophobicContact CB-CD2 4.31Å; N94-Y98 HydrophobicContact CB-CE2 4.39Å; N94-Y98 VanDerWaalsContact O-CD2 3.25Å; N94-Y98 WeakPolarHBondContact O-CD2 3.39Å; N94-Y98 PolarHBondContact O-N 2.88Å; Q96-Y98 VanDerWaalsContact C-N 3.32Å; Q96-Y98 PolarHBondContact O-N 2.8Å; Y98-S101 PolarHBondContact O-N 2.96Å; Y98-L102 WeakPolarHBondContact O-CB 3.48Å; Y98-L102 WeakPolarHBondContact O-CG 3.35Å; Y98-L102 PolarHBondContact O-N 3.05Å; Y98-L119 HydrophobicContact CD1-CB 4.38Å; Y98-L119 HydrophobicContact CD1-CD2 3.62Å; Y98-L119 HydrophobicContact CD1-CG 3.82Å; Y98-L119 HydrophobicContact CE1-CD2 4.03Å; Y98-L119 HydrophobicContact CE1-CG 3.93Å; Y98-L119 HydrophobicContact CG-CD2 4.39Å; Y98-S121 VanDerWaalsContact OH-CB 3.27Å; Y98-S121 WeakPolarHBondContact OH-CB 3.25Å; Y98-S121 PolarHBondContact OH-OG 2.77Å
99	R	98.1	Very high	98.1	Very high	48 Å²	48	58.1 Å²	58.1	18%	0.181	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-46.6	172.5	177.6	-169.9	-61.5	168.7	1.5	111.2	E43 P44 T95 Q96 R103	E43-R99 WeakPolarHBondContact OE2-CD 3.46Å; E43-R99 IonicContact OE2-CZ 3.67Å; E43-R99 IonicContact OE2-NE 3.69Å; E43-R99 PolarHBondContact OE2-NE 2.82Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.17Å; T95-R99 WeakPolarHBondContact O-CB 3.36Å; T95-R99 PolarHBondContact O-N 3.23Å; Q96-R99 WeakPolarHBondContact O-CB 3.39Å; Q96-R99 PolarHBondContact O-N 3.4Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.27Å; R99-R103 WeakPolarHBondContact O-CG 3.34Å; R99-R103 PolarHBondContact O-N 3.11Å
100	E	98	Very high	98	Very high	116 Å²	116	60 Å²	60	54%	0.542	30%	0.3	S	S	.	.	H	α-helix	trans	-65.8	-41.1	175.9	-69.3	-179.6	-179.3	0	0	111.8	Q96 T97 L102 R103 N104	Q96-E100 PolarHBondContact O-N 3.17Å; T97-E100 PolarHBondContact O-N 3.03Å; E100-L102 PolarHBondContact O-N 2.84Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 2.64Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-N104 PolarHBondContact O-N 2.91Å; E100-N104 PolarHBondContact O-ND2 3.39Å
101	S	98.3	Very high	98	Very high	37 Å²	37	59.3 Å²	59.3	26%	0.259	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-42.5	177.5	-60.2	0	0	0	0	112	T97 Y98 R103 N104 L105 L119	T97-S101 WeakPolarHBondContact O-CB 3.44Å; T97-S101 PolarHBondContact O-N 2.9Å; T97-S101 PolarHBondContact O-OG 3.29Å; Y98-S101 PolarHBondContact O-N 2.96Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.07Å; S101-N104 PolarHBondContact O-N 3Å; S101-L105 WeakPolarHBondContact O-CB 3.24Å; S101-L105 VanDerWaalsContact O-CG 3.26Å; S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 2.82Å; S101-L119 VanDerWaalsContact CB-CD2 3.47Å
102	L	98.4	Very high	97.8	Very high	10 Å²	10	62.9 Å²	62.9	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-39.5	173.7	-78	169.1	0	0	0	112.3	A35 P44 Y98 E100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.82Å; A35-L102 HydrophobicContact CB-CG 4.5Å; P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.83Å; Y98-L102 WeakPolarHBondContact O-CB 3.48Å; Y98-L102 WeakPolarHBondContact O-CG 3.35Å; Y98-L102 PolarHBondContact O-N 3.05Å; E100-L102 PolarHBondContact O-N 2.84Å; L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 2.69Å; L102-R106 VanDerWaalsContact O-N 3.09Å; L102-H117 HydrophobicContact CD2-CB 4.32Å; L102-L119 HydrophobicContact CD2-CB 3.68Å; L102-L119 HydrophobicContact CG-CB 4.15Å; L102-Y142 HydrophobicContact CD2-CE2 3.99Å
103	R	96.8	Very high	97.5	Very high	132 Å²	132	65.1 Å²	65.1	50%	0.498	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-42.4	175.8	-67.4	173.6	-174.8	167.2	0.6	111.6	E43 R99 E100 S101 G107	E43-R103 IonicContact OE1-NH2 2.63Å; E43-R103 IonicContact OE2-NH2 2.91Å; R99-R103 WeakPolarHBondContact O-CG 3.34Å; R99-R103 PolarHBondContact O-N 3.11Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 2.64Å; E100-R103 VanDerWaalsContact O-N 3.12Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.07Å; R103-G107 PolarHBondContact O-N 2.97Å
104	N	97.8	Very high	97.2	Very high	83 Å²	83	66 Å²	66	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-48.2	177.5	-71.6	-27	0	0	0	111.9	E100 S101 R106 G107 Y108	E100-N104 PolarHBondContact O-N 2.91Å; E100-N104 PolarHBondContact O-ND2 3.39Å; S101-N104 PolarHBondContact O-N 3Å; N104-R106 PolarHBondContact O-N 2.8Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.18Å; N104-G107 PolarHBondContact O-N 2.87Å; N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 PolarHBondContact O-N 2.83Å
105	L	98.3	Very high	96.9	Very high	7 Å²	7	65.3 Å²	65.3	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-46.8	179.8	-71.8	165.6	0	0	0	111.2	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.24Å; S101-L105 VanDerWaalsContact O-CG 3.26Å; S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 2.82Å; L105-G107 PolarHBondContact O-N 3.06Å; L105-Y108 PolarHBondContact O-N 2.04Å; L105-Y109 HydrophobicContact CD2-CE2 4.17Å; L105-Y109 WeakPolarHBondContact O-CD2 3.38Å; L105-Y109 PolarHBondContact O-N 3.22Å; L105-L119 HydrophobicContact CD1-CB 4.32Å; L105-L119 HydrophobicContact CD1-CD1 3.72Å; L105-L119 HydrophobicContact CD1-CD2 3.86Å; L105-L119 HydrophobicContact CD1-CG 4.17Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.22Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.47Å; L105-Y147 HydrophobicContact CD2-CD1 4.28Å; L105-Y147 HydrophobicContact CD2-CD2 4.15Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.52Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.18Å
106	R	97.3	Very high	96.8	Very high	71 Å²	71	68.6 Å²	68.6	27%	0.268	37%	0.371	S	S	.	.	H	α-helix	trans	-52.5	-41.8	173.8	-172.9	-173.2	67.6	171	11.8	111.9	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 2.69Å; L102-R106 VanDerWaalsContact O-N 3.09Å; N104-R106 PolarHBondContact O-N 2.8Å; R106-N110 PolarHBondContact O-N 2.84Å; R106-N110 VanDerWaalsContact O-N 3.11Å; R106-Q111 HydrophobicContact CG-CB 3.84Å; R106-Q111 WeakPolarHBondContact CG-O 3Å; R106-Q111 PolarHBondContact O-N 3.43Å; R106-E113 IonicContact CZ-OE1 2.65Å; R106-E113 VanDerWaalsContact CZ-OE1 3.25Å; R106-E113 VanDerWaalsContact NH1-CG 3.3Å; R106-E113 IonicContact NH1-OE1 2.67Å; R106-E113 PolarHBondContact NH1-OE1 3.13Å; R106-E113 IonicContact NH2-OE1 3.58Å; R106-E113 PolarHBondContact NH2-OE1 3.05Å
107	G	97.4	Very high	96.8	Very high	43 Å²	43	65.3 Å²	65.3	44%	0.443	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-44.4	175	0	0	0	0	0	113.3	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.97Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.18Å; N104-G107 PolarHBondContact O-N 2.87Å; L105-G107 PolarHBondContact O-N 3.06Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.32Å; G107-N110 PolarHBondContact O-N 3.2Å; G107-N110 VanDerWaalsContact O-N 3.15Å
108	Y	98.2	Very high	96.8	Very high	52 Å²	52	63.9 Å²	63.9	20%	0.204	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-35.6	179.4	-63.4	-8.1	0	0	0	112.3	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.31Å; N104-Y108 PolarHBondContact O-N 2.83Å; L105-Y108 PolarHBondContact O-N 2.04Å; Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CB 4.42Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.15Å; Y108-I166 HydrophobicContact CE2-CB 4.22Å; Y108-I166 HydrophobicContact CE2-CG2 4Å; Y108-I166 HydrophobicContact CG-CD1 4.12Å; Y108-K170 PolarHBondContact OH-NZ 3.47Å
109	Y	98.1	Very high	96.8	Very high	65 Å²	65	63.7 Å²	63.7	26%	0.255	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	3.3	178	-67.8	-74.5	0	0	0	114.2	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.17Å; L105-Y109 WeakPolarHBondContact O-CD2 3.38Å; L105-Y109 PolarHBondContact O-N 3.22Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.32Å; Y109-Q111 PolarHBondContact O-N 3.13Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.44Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.42Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.23Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.31Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 PolarHBondContact OH-OD1 3.01Å; Y109-D161 PolarHBondContact OH-OD2 2.82Å; Y109-A163 HydrophobicContact CD1-CB 4.09Å; Y109-A163 HydrophobicContact CD2-CB 4.47Å; Y109-A163 HydrophobicContact CE1-CB 3.56Å; Y109-A163 HydrophobicContact CE2-CB 3.98Å
110	N	97.1	Very high	96.9	Very high	152 Å²	152	65 Å²	65	81%	0.813	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.8	-176.8	-58.3	-63.3	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 2.84Å; R106-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-N 3.2Å; G107-N110 VanDerWaalsContact O-N 3.15Å
111	Q	97.3	Very high	96.9	Very high	58 Å²	58	59.8 Å²	59.8	27%	0.271	33%	0.331	S	S	.	.			trans	-86.6	152.1	-176.3	-71.2	166.9	-31.2	0	0	112	R106 Y109 H117 Y142	R106-Q111 HydrophobicContact CG-CB 3.84Å; R106-Q111 WeakPolarHBondContact CG-O 3Å; R106-Q111 PolarHBondContact O-N 3.43Å; Y109-Q111 PolarHBondContact O-N 3.13Å; Q111-H117 PolarHBondContact NE2-CE1 2.84Å; Q111-H117 PolarHBondContact OE1-CE1 3.33Å; Q111-H117 PolarHBondContact OE1-ND1 3.36Å; Q111-Y142 PolarHBondContact OE1-OH 3.41Å
112	S	94.9	Very high	96.9	Very high	78 Å²	78	58.9 Å²	58.9	55%	0.545	32%	0.323	S	S	.	.			trans	-70.4	155.3	-179.7	79	0	0	0	0	112.9	A114 G115	S112-A114 PolarHBondContact O-N 3.02Å; S112-G115 PolarHBondContact O-N 3.15Å
113	E	91.4	Very high	97	Very high	138 Å²	138	60.1 Å²	60.1	65%	0.645	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.6	176.3	-51.8	-149.9	120.2	0	0	114.2	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 WeakPolarHBondContact CG-O 3.18Å; R106-E113 IonicContact CZ-OE1 2.65Å; R106-E113 VanDerWaalsContact CZ-OE1 3.25Å; R106-E113 VanDerWaalsContact NH1-CG 3.3Å; R106-E113 IonicContact NH1-OE1 2.67Å; R106-E113 PolarHBondContact NH1-OE1 3.13Å; R106-E113 IonicContact NH2-OE1 3.58Å; R106-E113 PolarHBondContact NH2-OE1 3.05Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.26Å
114	A	92	Very high	97	Very high	87 Å²	87	53.9 Å²	53.9	72%	0.719	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.5	-179.8	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 3.02Å
115	G	92.6	Very high	97.1	Very high	20 Å²	20	49.9 Å²	49.9	21%	0.206	28%	0.283	C	S	.	.			trans	-76.2	134.2	-179.7	0	0	0	0	0	112.9	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.36Å; S112-G115 PolarHBondContact O-N 3.15Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.26Å; G115-H117 PolarHBondContact O-CD2 3.39Å
116	S	96.2	Very high	97.1	Very high	82 Å²	82	50.9 Å²	50.9	57%	0.573	29%	0.288	S	S	*	.			trans	-83.3	130.5	166.1	-176	0	0	0	0	108.8	S37	S37-S116 PolarHBondContact O-OG 3.19Å
117	H	98.3	Very high	97.1	Very high	16 Å²	16	47.6 Å²	47.6	7%	0.074	28%	0.276	C	S	.	.			trans	-132.5	148.8	-174.6	-64.2	-71.5	0	0	0	110.9	M36 S37 L102 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.4Å; S37-H117 PolarHBondContact N-O 3.28Å; S37-H117 PolarHBondContact OG-N 3.31Å; S37-H117 PolarHBondContact OG-O 3.05Å; L102-H117 HydrophobicContact CD2-CB 4.32Å; Q111-H117 PolarHBondContact NE2-CE1 2.84Å; Q111-H117 PolarHBondContact OE1-CE1 3.33Å; Q111-H117 PolarHBondContact OE1-ND1 3.36Å; G115-H117 PolarHBondContact O-CD2 3.39Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.5Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.96Å; H117-Y142 PolarHBondContact ND1-OH 2.86Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 IonicContact CE1-OD2 3.74Å; H117-D143 IonicContact CG-OD1 3.44Å; H117-D143 IonicContact CG-OD2 3.71Å; H117-D143 IonicContact ND1-OD1 3.76Å; H117-D143 IonicContact ND1-OD2 2.79Å; H117-D143 PolarHBondContact ND1-OD2 3.12Å
118	T	98.7	Very high	97	Very high	37 Å²	37	45.6 Å²	45.6	23%	0.227	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.6	-178.6	-53.3	0	0	0	0	110.5	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.94Å; A35-T118 CarbonylContact O-C 3.57Å; A35-T118 WeakPolarHBondContact O-CA 3.27Å; M36-T118 HydrophobicContact CG-CG2 3.84Å; T118-Q120 HydrophobicContact CG2-CG 3.8Å; T118-Y142 WeakPolarHBondContact O-CA 3.39Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.32Å; T118-D143 PolarHBondContact N-OD1 3.37Å; T118-D143 PolarHBondContact O-N 3.46Å
119	L	98.8	Very high	96.8	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.4	169.6	173.3	61.1	0	0	0	108.1	A35 Y98 S101 L102 L105 Y140 A141 Y142	A35-L119 PolarHBondContact N-O 3.06Å; A35-L119 PolarHBondContact O-N 2.89Å; Y98-L119 HydrophobicContact CD1-CB 4.38Å; Y98-L119 HydrophobicContact CD1-CD2 3.62Å; Y98-L119 HydrophobicContact CD1-CG 3.82Å; Y98-L119 HydrophobicContact CE1-CD2 4.03Å; Y98-L119 HydrophobicContact CE1-CG 3.93Å; Y98-L119 HydrophobicContact CG-CD2 4.39Å; S101-L119 VanDerWaalsContact CB-CD2 3.47Å; L102-L119 HydrophobicContact CD2-CB 3.68Å; L102-L119 HydrophobicContact CG-CB 4.15Å; L105-L119 HydrophobicContact CD1-CB 4.32Å; L105-L119 HydrophobicContact CD1-CD1 3.72Å; L105-L119 HydrophobicContact CD1-CD2 3.86Å; L105-L119 HydrophobicContact CD1-CG 4.17Å; L119-Y140 HydrophobicContact CD1-CD1 4.2Å; L119-A141 WeakPolarHBondContact CD1-O 3.31Å; L119-Y142 HydrophobicContact CB-CD2 4.36Å
120	Q	98.8	Very high	96.4	Very high	77 Å²	77	47.1 Å²	47.1	36%	0.36	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150	178.4	-56.2	-179	-90.4	0	0	109.6	D33 T34 T118 Y140 A141	D33-Q120 CarbonylContact O-C 3.58Å; D33-Q120 VanDerWaalsContact O-CA 3.25Å; D33-Q120 WeakPolarHBondContact O-CA 3.46Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å; T118-Q120 HydrophobicContact CG2-CG 3.8Å; Q120-Y140 CarbonylContact O-C 3.5Å; Q120-Y140 VanDerWaalsContact O-CA 3.29Å; Q120-Y140 WeakPolarHBondContact O-CA 3.39Å; Q120-A141 HydrophobicContact CB-CB 4.49Å; Q120-A141 PolarHBondContact N-O 2.86Å; Q120-A141 PolarHBondContact O-N 2.79Å
121	S	98.7	Very high	96.2	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.3	162.7	77.8	0	0	0	0	111.6	F32 D33 Y98 Q139	F32-S121 WeakPolarHBondContact CA-O 3.19Å; D33-S121 PolarHBondContact N-O 2.79Å; D33-S121 PolarHBondContact O-N 2.78Å; Y98-S121 VanDerWaalsContact OH-CB 3.27Å; Y98-S121 WeakPolarHBondContact OH-CB 3.25Å; Y98-S121 PolarHBondContact OH-OG 2.77Å; S121-Q139 CarbonylContact C-O 3.58Å; S121-Q139 WeakPolarHBondContact CA-O 3.5Å; S121-Q139 WeakPolarHBondContact CB-O 3.21Å
122	M	98.7	Very high	96.1	Very high	18 Å²	18	45 Å²	45	9%	0.089	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.8	164.1	-176.3	-76.3	-71.6	0	0	107.8	R30 Y31 F32 H137 N138 Q139	R30-M122 HydrophobicContact CB-SD 4.49Å; R30-M122 VanDerWaalsContact CD-SD 3.6Å; R30-M122 HydrophobicContact CG-SD 4.12Å; Y31-M122 WeakPolarHBondContact O-CA 3.32Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.8Å; F32-M122 HydrophobicContact CE1-CB 4.02Å; F32-M122 HydrophobicContact CE1-CG 3.43Å; F32-M122 VanDerWaalsContact CE1-CG 3.43Å; F32-M122 HydrophobicContact CZ-CG 3.94Å; M122-H137 HydrophobicContact CE-CB 3.65Å; M122-H137 HydrophobicContact SD-CB 3.83Å; M122-N138 WeakPolarHBondContact O-CA 3.49Å; M122-Q139 HydrophobicContact CB-CG 3.94Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 2.97Å; M122-Q139 PolarHBondContact O-N 3.48Å
123	Y	98.8	Very high	96.2	Very high	37 Å²	37	43.6 Å²	43.6	15%	0.145	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.6	173	63.8	-85.3	0	0	0	110.7	R30 Y31 H137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.31Å; Y31-Y123 WeakPolarHBondContact CB-OH 3.3Å; Y31-Y123 HydrophobicContact CD2-CD2 4.36Å; Y31-Y123 AromaticContact CD2-CE2 3.72Å; Y31-Y123 HydrophobicContact CD2-CE2 3.72Å; Y31-Y123 AromaticContact CG-CE2 3.86Å; Y31-Y123 HydrophobicContact CG-CE2 3.86Å; Y31-Y123 AromaticContact CG-CZ 3.78Å; Y31-Y123 PolarHBondContact N-O 3.49Å; Y31-Y123 PolarHBondContact O-N 2.83Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; Y123-H137 WeakPolarHBondContact CA-O 3.15Å; Y123-H137 WeakPolarHBondContact CB-O 3.22Å; Y123-Y183 AromaticContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CE2-CE1 4.36Å
124	G	98.8	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	178.3	-172.2	0	0	0	0	0	114.1	M29 H137 L184	M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.37Å; G124-H137 PolarHBondContact N-O 2.92Å; G124-H137 PolarHBondContact O-N 2.99Å; G124-L184 WeakPolarHBondContact O-CD2 3.46Å
125	C	98.8	Very high	96.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.2	-179.3	50.3	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.53Å; S28-C125 WeakPolarHBondContact CA-O 3.41Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 3.38Å; C125-L133 HydrophobicContact CB-CD1 3.54Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.37Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.46Å; C125-C188 PolarHBondContact N-SG 3.22Å; C125-C188 WeakPolarHBondContact SG-CB 3.46Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.94Å
126	D	98.5	Very high	97.1	Very high	28 Å²	28	41.9 Å²	41.9	15%	0.15	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.1	167.3	-50.8	-35.4	0	0	0	108.1	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.33Å; S28-D126 VanDerWaalsContact CB-OD1 3.24Å; S28-D126 WeakPolarHBondContact CB-OD1 3.43Å; R30-D126 IonicContact CZ-OD1 3.58Å; R30-D126 IonicContact NH2-OD1 3.38Å; R30-D126 PolarHBondContact NH2-OD1 2.77Å; R30-D126 IonicContact NH2-OD2 3.77Å; D126-L134 PolarHBondContact O-N 3.28Å; D126-R135 HydrophobicContact CB-CB 4.31Å; D126-R135 PolarHBondContact N-O 3.14Å; D126-R135 PolarHBondContact O-N 3.42Å; D126-H137 IonicContact OD1-NE2 3.68Å; D126-H137 IonicContact OD2-CD2 3.82Å; D126-H137 IonicContact OD2-CE1 3.91Å; D126-H137 IonicContact OD2-NE2 2.88Å; D126-H137 PolarHBondContact OD2-NE2 2.86Å
127	V	97.9	Very high	97.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.7	178.3	-62.6	0	0	0	0	111.5	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.5Å; S26-V127 WeakPolarHBondContact CA-O 3.39Å; S26-V127 WeakPolarHBondContact CB-O 3.02Å; S26-V127 PolarHBondContact OG-O 3.03Å; H27-V127 HydrophobicContact CB-CG2 3.98Å; H27-V127 PolarHBondContact N-O 3.04Å; H27-V127 PolarHBondContact O-N 3.01Å; V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.36Å; V127-R132 WeakPolarHBondContact CB-O 3.46Å; V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 4.04Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.94Å; V127-L192 HydrophobicContact CG2-CD2 3.54Å; V127-L192 HydrophobicContact CG2-CG 4.22Å
128	G	95.5	Very high	97.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	19%	0.189	C	C	.	.			trans	-82.3	177.1	176.3	0	0	0	0	0	112.7	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.82Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 VanDerWaalsContact O-CA 3.31Å; G128-G131 WeakPolarHBondContact O-CA 3.25Å; G128-G131 PolarHBondContact O-N 2.87Å; G128-R132 PolarHBondContact N-O 2.91Å
129	P	92.1	Very high	97.2	Very high	65 Å²	65	41.4 Å²	41.4	42%	0.422	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.2	173.9	-23.7	33.2	0	0	0	113.9	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.49Å; P129-G131 PolarHBondContact O-N 2.92Å
130	D	91.1	Very high	97.2	Very high	84 Å²	84	43.6 Å²	43.6	45%	0.449	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	5	173.4	73.9	-19	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.82Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3.39Å; D130-R132 WeakPolarHBondContact OD1-CB 3.07Å; D130-R132 PolarHBondContact OD1-N 3.29Å; D130-R132 VanDerWaalsContact OD2-CD 3.23Å; D130-R132 WeakPolarHBondContact OD2-CD 3.21Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.37Å; D130-R132 IonicContact OD2-CZ 3.81Å; D130-R132 IonicContact OD2-NE 2.9Å; D130-R132 IonicContact OD2-NH1 2.82Å; D130-R132 PolarHBondContact OD2-NH1 2.88Å
131	G	91.4	Very high	97.2	Very high	4 Å²	4	40.8 Å²	40.8	4%	0.041	20%	0.197	C	C	.	.	S	Bend	trans	70.3	2.3	-177.7	0	0	0	0	0	114.3	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.31Å; G128-G131 WeakPolarHBondContact O-CA 3.25Å; G128-G131 PolarHBondContact O-N 2.87Å; P129-G131 PolarHBondContact O-N 2.92Å; G131-V189 WeakPolarHBondContact O-CG1 3.36Å; G131-R193 VanDerWaalsContact O-CZ 3.23Å; G131-R193 PolarHBondContact O-NE 3.44Å; G131-R193 PolarHBondContact O-NH2 2.86Å
132	R	95.7	Very high	97.2	Very high	162 Å²	162	41 Å²	41	61%	0.611	20%	0.197	S	C	*	.			trans	-80.6	152.2	-178.9	-65.8	-169.9	175.9	114.7	-7.7	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.36Å; V127-R132 WeakPolarHBondContact CB-O 3.46Å; G128-R132 PolarHBondContact N-O 2.91Å; D130-R132 PolarHBondContact O-N 3.39Å; D130-R132 WeakPolarHBondContact OD1-CB 3.07Å; D130-R132 PolarHBondContact OD1-N 3.29Å; D130-R132 VanDerWaalsContact OD2-CD 3.23Å; D130-R132 WeakPolarHBondContact OD2-CD 3.21Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.37Å; D130-R132 IonicContact OD2-CZ 3.81Å; D130-R132 IonicContact OD2-NE 2.9Å; D130-R132 IonicContact OD2-NH1 2.82Å; D130-R132 PolarHBondContact OD2-NH1 2.88Å; R132-L134 PolarHBondContact O-N 3.07Å
133	L	98	Very high	97.2	Very high	47 Å²	47	43.2 Å²	43.2	25%	0.246	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	124.1	173.7	-174.9	68.5	0	0	0	110.2	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.54Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; L133-L154 HydrophobicContact CD2-CD1 4.08Å; L133-E185 HydrophobicContact CD2-CB 4.44Å; L133-E185 HydrophobicContact CD2-CG 3.71Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 4Å
134	L	97.7	Very high	97.2	Very high	108 Å²	108	44.3 Å²	44.3	57%	0.565	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	-43	167.8	-66.6	178.3	0	0	0	110.8	S26 D126 R132	S26-L134 WeakPolarHBondContact OG-CD1 3.47Å; D126-L134 PolarHBondContact O-N 3.28Å; R132-L134 PolarHBondContact O-N 3.07Å
135	R	98.1	Very high	97.2	Very high	97 Å²	97	51.9 Å²	51.9	37%	0.366	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	135	-176.6	-173.9	175.9	-175.9	109.4	6.9	111.3	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.37Å; D126-R135 HydrophobicContact CB-CB 4.31Å; D126-R135 PolarHBondContact N-O 3.14Å; D126-R135 PolarHBondContact O-N 3.42Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 3.44Å; R135-E152 VanDerWaalsContact CZ-CG 3.49Å; R135-E152 IonicContact CZ-OE1 4Å; R135-E152 IonicContact NH1-OE1 3.68Å; R135-E152 PolarHBondContact NH1-OE1 3.43Å; R135-E152 IonicContact NH1-OE2 3.19Å; R135-E152 VanDerWaalsContact NH2-CG 3.27Å; R135-E152 IonicContact NH2-OE1 3.8Å; R135-E152 PolarHBondContact NH2-OE1 3.46Å
136	G	98.6	Very high	97.1	Very high	5 Å²	5	58.4 Å²	58.4	5%	0.052	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	148.4	166.9	0	0	0	0	0	110.9
137	H	98.6	Very high	97.2	Very high	24 Å²	24	57.4 Å²	57.4	11%	0.111	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.7	180	-56.4	-93.9	0	0	0	110	M122 Y123 G124 D126 R135	M122-H137 HydrophobicContact CE-CB 3.65Å; M122-H137 HydrophobicContact SD-CB 3.83Å; Y123-H137 WeakPolarHBondContact CA-O 3.15Å; Y123-H137 WeakPolarHBondContact CB-O 3.22Å; G124-H137 PolarHBondContact N-O 2.92Å; G124-H137 PolarHBondContact O-N 2.99Å; D126-H137 IonicContact OD1-NE2 3.68Å; D126-H137 IonicContact OD2-CD2 3.82Å; D126-H137 IonicContact OD2-CE1 3.91Å; D126-H137 IonicContact OD2-NE2 2.88Å; D126-H137 PolarHBondContact OD2-NE2 2.86Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 3.44Å
138	N	98.6	Very high	97.2	Very high	9 Å²	9	57.5 Å²	57.5	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	106.1	162.3	-171.8	4.6	0	0	0	108.6	M122 Y140 L150 D180	M122-N138 WeakPolarHBondContact O-CA 3.49Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.35Å; N138-L150 HydrophobicContact CB-CB 4Å; N138-L150 HydrophobicContact CB-CD2 4.17Å; N138-L150 WeakPolarHBondContact O-CB 3.38Å; N138-L150 PolarHBondContact O-N 3.48Å; N138-D180 VanDerWaalsContact ND2-CG 3.31Å; N138-D180 PolarHBondContact ND2-OD2 2.94Å
139	Q	98.7	Very high	97.4	Very high	92 Å²	92	59 Å²	59	43%	0.43	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.4	-174.8	64.1	-172.5	18.7	0	0	111.5	S121 M122 A149	S121-Q139 CarbonylContact C-O 3.58Å; S121-Q139 WeakPolarHBondContact CA-O 3.5Å; S121-Q139 WeakPolarHBondContact CB-O 3.21Å; M122-Q139 HydrophobicContact CB-CG 3.94Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 2.97Å; M122-Q139 PolarHBondContact O-N 3.48Å; Q139-A149 HydrophobicContact CB-CB 3.92Å
140	Y	98.9	Very high	97.7	Very high	50 Å²	50	56.5 Å²	56.5	20%	0.196	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.8	-178.3	-66.7	-99.2	0	0	0	110.8	L119 Q120 N138 Y147 I148 W171	L119-Y140 HydrophobicContact CD1-CD1 4.2Å; Q120-Y140 CarbonylContact O-C 3.5Å; Q120-Y140 VanDerWaalsContact O-CA 3.29Å; Q120-Y140 WeakPolarHBondContact O-CA 3.39Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.35Å; Y140-Y147 WeakPolarHBondContact O-CB 3.35Å; Y140-Y147 PolarHBondContact O-N 2.56Å; Y140-I148 HydrophobicContact CD2-CG2 4.05Å; Y140-I148 HydrophobicContact CG-CG2 4.4Å; Y140-I148 PolarHBondContact N-O 2.89Å; Y140-I148 PolarHBondContact O-N 3.41Å; Y140-W171 AromaticContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CZ3 4.23Å; Y140-W171 AromaticContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CH2 3.43Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.43Å; Y140-W171 AromaticContact CE2-CZ3 3.96Å; Y140-W171 HydrophobicContact CE2-CZ3 3.96Å; Y140-W171 AromaticContact CZ-CH2 3.87Å
141	A	98.9	Very high	98.1	Very high	19 Å²	19	54.5 Å²	54.5	16%	0.157	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.3	172.7	0	0	0	0	0	110.6	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.31Å; Q120-A141 HydrophobicContact CB-CB 4.49Å; Q120-A141 PolarHBondContact N-O 2.86Å; Q120-A141 PolarHBondContact O-N 2.79Å; A141-K145 CarbonylContact C-O 3.42Å; A141-K145 WeakPolarHBondContact CA-O 3.43Å; A141-K145 VanDerWaalsContact CB-O 3.3Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å
142	Y	98.8	Very high	98.4	Very high	10 Å²	10	61 Å²	61	4%	0.039	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.6	176.7	-172.9	-121.8	0	0	0	110.2	L102 L105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 3.99Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.22Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.47Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.44Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Q111-Y142 PolarHBondContact OE1-OH 3.41Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.5Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.96Å; H117-Y142 PolarHBondContact ND1-OH 2.86Å; T118-Y142 WeakPolarHBondContact O-CA 3.39Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.32Å; L119-Y142 HydrophobicContact CB-CD2 4.36Å; Y142-G144 PolarHBondContact O-N 3.35Å; Y142-K145 PolarHBondContact N-O 3.47Å; Y142-K145 PolarHBondContact O-N 3.2Å; Y142-K145 VanDerWaalsContact O-N 3.08Å
143	D	98.3	Very high	98.5	Very high	63 Å²	63	57 Å²	57	34%	0.337	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.2	-174.8	-65.8	-22.3	0	0	0	113.3	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 IonicContact CE1-OD2 3.74Å; H117-D143 IonicContact CG-OD1 3.44Å; H117-D143 IonicContact CG-OD2 3.71Å; H117-D143 IonicContact ND1-OD1 3.76Å; H117-D143 IonicContact ND1-OD2 2.79Å; H117-D143 PolarHBondContact ND1-OD2 3.12Å; T118-D143 PolarHBondContact N-OD1 3.37Å; T118-D143 PolarHBondContact O-N 3.46Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.96Å
144	G	97.6	Very high	98.5	Very high	60 Å²	60	55.2 Å²	55.2	62%	0.619	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	9.1	177.1	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.35Å
145	K	98.6	Very high	98.5	Very high	160 Å²	160	57.8 Å²	57.8	70%	0.696	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.1	176.2	-62	-179.5	-178.1	177.9	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.42Å; A141-K145 WeakPolarHBondContact CA-O 3.43Å; A141-K145 VanDerWaalsContact CB-O 3.3Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å; Y142-K145 PolarHBondContact N-O 3.47Å; Y142-K145 PolarHBondContact O-N 3.2Å; Y142-K145 VanDerWaalsContact O-N 3.08Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.96Å; K145-Y147 PolarHBondContact O-N 3.27Å
146	D	98.8	Very high	98.6	Very high	136 Å²	136	55 Å²	55	73%	0.727	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.3	137.7	174	-64.6	-14.5	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.28Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å
147	Y	98.9	Very high	98.6	Very high	8 Å²	8	55.1 Å²	55.1	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-65	179	-179	-114	0	0	0	110.7	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.28Å; L105-Y147 HydrophobicContact CD2-CD2 4.15Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.52Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.18Å; Y109-Y147 HydrophobicContact CE2-CD2 4.42Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.23Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; Y140-Y147 WeakPolarHBondContact O-CB 3.35Å; Y140-Y147 PolarHBondContact O-N 2.56Å; K145-Y147 PolarHBondContact O-N 3.27Å; Y147-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 PolarHBondContact O-N 3.5Å; Y147-A163 PolarHBondContact OH-O 3.24Å; Y147-A164 HydrophobicContact CD2-CB 3.75Å; Y147-A164 VanDerWaalsContact CE2-CA 3.43Å; Y147-A164 HydrophobicContact CE2-CB 3.63Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.11Å; Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 PolarHBondContact OH-OG1 3.04Å
148	I	98.9	Very high	98.6	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	141.8	178.7	-163.1	174.2	0	0	0	110	Y140 W157 T158 T167 Q168 W171	Y140-I148 HydrophobicContact CD2-CG2 4.05Å; Y140-I148 HydrophobicContact CG-CG2 4.4Å; Y140-I148 PolarHBondContact N-O 2.89Å; Y140-I148 PolarHBondContact O-N 3.41Å; I148-W157 HydrophobicContact CD1-CB 4.07Å; I148-W157 HydrophobicContact CD1-CD2 4.34Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.32Å; I148-W157 HydrophobicContact CG1-CB 4.19Å; I148-W157 HydrophobicContact CG1-CE3 4Å; I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T158 WeakPolarHBondContact CG1-O 3.43Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; I148-Q168 HydrophobicContact CD1-CB 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.16Å; I148-W171 HydrophobicContact CD1-CZ3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 4.14Å; I148-W171 HydrophobicContact CG2-CZ3 3.81Å
149	A	98.9	Very high	98.6	Very high	31 Å²	31	58.4 Å²	58.4	26%	0.256	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.9	178.8	0	0	0	0	0	111.9	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.92Å; A149-W157 VanDerWaalsContact C-CE3 3.44Å; A149-W157 CarbonylContact O-C 3.6Å; A149-W157 WeakPolarHBondContact O-CA 3.07Å; A149-T158 PolarHBondContact N-O 3.24Å; A149-T158 PolarHBondContact O-N 3.28Å
150	L	98.9	Very high	98.6	Very high	14 Å²	14	56.9 Å²	56.9	7%	0.073	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.4	170.5	-175.6	65.6	0	0	0	108.6	N138 L154 W157 A177 D180 L184	N138-L150 HydrophobicContact CB-CB 4Å; N138-L150 HydrophobicContact CB-CD2 4.17Å; N138-L150 WeakPolarHBondContact O-CB 3.38Å; N138-L150 PolarHBondContact O-N 3.48Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 3.93Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.37Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.83Å; L150-W157 HydrophobicContact CD1-CZ3 4.3Å; L150-W157 HydrophobicContact CG-CH2 4.46Å; L150-W157 VanDerWaalsContact N-CE3 3.33Å; L150-A177 HydrophobicContact CD1-CB 3.88Å; L150-D180 HydrophobicContact CD2-CB 4.03Å; L150-L184 HydrophobicContact CD2-CD1 3.8Å
151	N	98.8	Very high	98.6	Very high	42 Å²	42	57.2 Å²	57.2	23%	0.225	32%	0.318	C	S	.	.			trans	-74	163	178.9	-67.1	-31.3	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.89Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 3.2Å; N151-S156 WeakPolarHBondContact CB-O 3.13Å; N151-S156 WeakPolarHBondContact CB-OG 3.27Å; N151-S156 PolarHBondContact N-O 2.98Å; N151-S156 PolarHBondContact ND2-O 2.9Å; N151-S156 PolarHBondContact ND2-OG 3.09Å; N151-T158 PolarHBondContact ND2-OG1 3.03Å; N151-T158 WeakPolarHBondContact OD1-CB 3.09Å; N151-T158 PolarHBondContact OD1-OG1 3.47Å
152	E	98.1	Very high	98.5	Very high	139 Å²	139	61.6 Å²	61.6	65%	0.65	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22	-179	-68.1	176.4	-161	0	0	114	R135 L154	R135-E152 VanDerWaalsContact CZ-CG 3.49Å; R135-E152 IonicContact CZ-OE1 4Å; R135-E152 IonicContact NH1-OE1 3.68Å; R135-E152 PolarHBondContact NH1-OE1 3.43Å; R135-E152 IonicContact NH1-OE2 3.19Å; R135-E152 VanDerWaalsContact NH2-CG 3.27Å; R135-E152 IonicContact NH2-OE1 3.8Å; R135-E152 PolarHBondContact NH2-OE1 3.46Å; E152-L154 PolarHBondContact O-N 3.42Å
153	D	98.1	Very high	98.5	Very high	79 Å²	79	61.4 Å²	61.4	42%	0.422	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.7	174.8	68.7	6.2	0	0	0	113.7	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.89Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 VanDerWaalsContact O-CG 3.3Å; D153-R155 WeakPolarHBondContact O-CG 3.37Å; D153-R155 PolarHBondContact O-N 3Å; D153-R155 PolarHBondContact OD1-N 3.5Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.23Å; D153-S156 PolarHBondContact OD1-OG 3.44Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.41Å; D153-S156 PolarHBondContact OD2-OG 2.89Å
154	L	98.5	Very high	98.5	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.052	33%	0.328	C	S	.	.	S	Bend	trans	51.6	32.5	-175.5	-52.4	-178	0	0	0	113	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.08Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; N151-L154 PolarHBondContact O-N 3.2Å; E152-L154 PolarHBondContact O-N 3.42Å; L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.83Å; L154-R181 HydrophobicContact CD1-CG 4.04Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L154-E185 HydrophobicContact CD1-CG 4.33Å
155	R	98.1	Very high	98.6	Very high	162 Å²	162	59.1 Å²	59.1	61%	0.611	32%	0.315	S	S	*	.	S	Bend	trans	-138.1	-32.9	-174.3	-72.1	168.7	-167.6	-85.9	-3.5	112.5	D153 R181	D153-R155 VanDerWaalsContact O-CG 3.3Å; D153-R155 WeakPolarHBondContact O-CG 3.37Å; D153-R155 PolarHBondContact O-N 3Å; D153-R155 PolarHBondContact OD1-N 3.5Å; R155-R181 VanDerWaalsContact NH1-NH1 3.19Å
156	S	98.4	Very high	98.6	Very high	37 Å²	37	54.5 Å²	54.5	26%	0.259	30%	0.297	S	S	.	.			trans	-116.8	162.6	-176.8	64.6	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.13Å; N151-S156 WeakPolarHBondContact CB-OG 3.27Å; N151-S156 PolarHBondContact N-O 2.98Å; N151-S156 PolarHBondContact ND2-O 2.9Å; N151-S156 PolarHBondContact ND2-OG 3.09Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.23Å; D153-S156 PolarHBondContact OD1-OG 3.44Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.41Å; D153-S156 PolarHBondContact OD2-OG 2.89Å
157	W	98.8	Very high	98.6	Very high	9 Å²	9	48.8 Å²	48.8	3%	0.034	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145	-178.4	-62.3	91	0	0	0	110.9	I148 A149 L150 Q168 W171 V176 A177 D180	I148-W157 HydrophobicContact CD1-CB 4.07Å; I148-W157 HydrophobicContact CD1-CD2 4.34Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.32Å; I148-W157 HydrophobicContact CG1-CB 4.19Å; I148-W157 HydrophobicContact CG1-CE3 4Å; A149-W157 VanDerWaalsContact C-CE3 3.44Å; A149-W157 CarbonylContact O-C 3.6Å; A149-W157 WeakPolarHBondContact O-CA 3.07Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 3.93Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.37Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.83Å; L150-W157 HydrophobicContact CD1-CZ3 4.3Å; L150-W157 HydrophobicContact CG-CH2 4.46Å; L150-W157 VanDerWaalsContact N-CE3 3.33Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 3.3Å; W157-Q168 VanDerWaalsContact O-NE2 3.12Å; W157-W171 AromaticContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CZ3 4.4Å; W157-W171 AromaticContact CE2-CE3 3.71Å; W157-W171 AromaticContact CE3-CE3 3.88Å; W157-W171 HydrophobicContact CE3-CE3 3.88Å; W157-W171 AromaticContact CE3-CZ3 3.9Å; W157-W171 HydrophobicContact CE3-CZ3 3.9Å; W157-W171 AromaticContact CH2-CE3 3.5Å; W157-W171 HydrophobicContact CH2-CE3 3.5Å; W157-W171 VanDerWaalsContact CH2-CE3 3.5Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.49Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 AromaticContact CZ2-CZ3 3.94Å; W157-W171 HydrophobicContact CZ2-CZ3 3.94Å; W157-W171 AromaticContact CZ3-CE3 3.7Å; W157-W171 HydrophobicContact CZ3-CE3 3.7Å; W157-W171 AromaticContact CZ3-CZ3 3.38Å; W157-W171 HydrophobicContact CZ3-CZ3 3.38Å; W157-V176 HydrophobicContact CZ2-CB 4.46Å; W157-V176 HydrophobicContact CZ2-CG1 4.13Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.48Å; W157-D180 WeakPolarHBondContact CZ2-OD2 3.4Å
158	T	98.8	Very high	98.6	Very high	78 Å²	78	50.3 Å²	50.3	48%	0.479	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.3	165.8	-66.5	0	0	0	0	109.2	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T158 WeakPolarHBondContact CG1-O 3.43Å; A149-T158 PolarHBondContact N-O 3.24Å; A149-T158 PolarHBondContact O-N 3.28Å; N151-T158 PolarHBondContact ND2-OG1 3.03Å; N151-T158 WeakPolarHBondContact OD1-CB 3.09Å; N151-T158 PolarHBondContact OD1-OG1 3.47Å
159	A	98.8	Very high	98.5	Very high	23 Å²	23	57.9 Å²	57.9	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.2	174.1	0	0	0	0	0	110.7	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 3.96Å; A159-Q168 HydrophobicContact CB-CB 4.37Å
160	A	98.6	Very high	98.5	Very high	61 Å²	61	61.9 Å²	61.9	50%	0.504	32%	0.315	S	S	.	.	S	Bend	trans	-75.9	-31.6	-176.5	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.28Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 PolarHBondContact O-N 3.5Å
161	D	98.4	Very high	98.5	Very high	56 Å²	56	64 Å²	64	30%	0.299	32%	0.321	S	S	.	.	S	Bend	trans	-150.3	-174.8	-179	68.3	20.8	0	0	0	113.4	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.31Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 PolarHBondContact OH-OD1 3.01Å; Y109-D161 PolarHBondContact OH-OD2 2.82Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.37Å; D161-A163 WeakPolarHBondContact OD1-CA 3.03Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.31Å; D161-A164 PolarHBondContact O-N 3.39Å; D161-A164 PolarHBondContact OD1-N 3.23Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 2.92Å
162	T	98.3	Very high	98.5	Very high	111 Å²	111	66.4 Å²	66.4	68%	0.681	33%	0.332	S	S	*	.	H	α-helix	trans	-66.7	-28.6	-178.4	51.8	0	0	0	0	113.4
163	A	98.1	Very high	98.5	Very high	6 Å²	6	64 Å²	64	5%	0.05	34%	0.336	C	S	.	.	H	α-helix	trans	-71.7	-43.9	174.3	0	0	0	0	0	110.2	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.09Å; Y109-A163 HydrophobicContact CD2-CB 4.47Å; Y109-A163 HydrophobicContact CE1-CB 3.56Å; Y109-A163 HydrophobicContact CE2-CB 3.98Å; Y147-A163 PolarHBondContact OH-O 3.24Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.37Å; D161-A163 WeakPolarHBondContact OD1-CA 3.03Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.31Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.06Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.49Å; A163-I166 PolarHBondContact O-N 2.65Å
164	A	98.6	Very high	98.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-33.2	174.9	0	0	0	0	0	113.4	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.75Å; Y147-A164 VanDerWaalsContact CE2-CA 3.43Å; Y147-A164 HydrophobicContact CE2-CB 3.63Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.11Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 3.39Å; D161-A164 PolarHBondContact OD1-N 3.23Å; A164-I166 PolarHBondContact O-N 3.31Å; A164-T167 WeakPolarHBondContact O-CB 3.4Å; A164-T167 PolarHBondContact O-N 3.07Å; A164-Q168 PolarHBondContact O-N 2.88Å
165	Q	98.8	Very high	98.5	Very high	75 Å²	75	70.1 Å²	70.1	35%	0.35	37%	0.365	S	S	.	.	H	α-helix	trans	-60.8	-26.4	173.7	-72.9	174.7	11.7	0	0	113	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.96Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 2.92Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.06Å; Q165-R169 WeakPolarHBondContact O-CG 3.49Å; Q165-R169 PolarHBondContact O-N 3.34Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.5	Very high	98.5	Very high	64 Å²	64	63.7 Å²	63.7	33%	0.328	34%	0.343	S	S	.	.	H	α-helix	trans	-65.8	-45.7	173.8	-57.2	171.4	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CB 4.42Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.15Å; Y108-I166 HydrophobicContact CE2-CB 4.22Å; Y108-I166 HydrophobicContact CE2-CG2 4Å; Y108-I166 HydrophobicContact CG-CD1 4.12Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.49Å; A163-I166 PolarHBondContact O-N 2.65Å; A164-I166 PolarHBondContact O-N 3.31Å; I166-K170 WeakPolarHBondContact O-CG 3.18Å; I166-K170 PolarHBondContact O-N 2.88Å
167	T	98.5	Very high	98.5	Very high	15 Å²	15	62.2 Å²	62.2	9%	0.092	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-46.7	174.9	-69.3	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 PolarHBondContact OH-OG1 3.04Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; A164-T167 WeakPolarHBondContact O-CB 3.4Å; A164-T167 PolarHBondContact O-N 3.07Å; T167-R169 PolarHBondContact O-N 3.39Å; T167-K170 WeakPolarHBondContact O-CB 3.48Å; T167-K170 PolarHBondContact O-N 3.01Å; T167-K170 VanDerWaalsContact O-N 3.1Å; T167-W171 HydrophobicContact CG2-CD2 3.63Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 4.08Å; T167-W171 HydrophobicContact CG2-CG 4.03Å; T167-W171 HydrophobicContact CG2-CH2 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 3.81Å; T167-W171 HydrophobicContact CG2-CZ3 4.35Å; T167-W171 PolarHBondContact O-N 2.81Å
168	Q	98.8	Very high	98.5	Very high	40 Å²	40	66 Å²	66	19%	0.187	35%	0.352	C	S	.	.	H	α-helix	trans	-51.4	-53.4	179.1	177.3	173.1	16.9	0	0	111.9	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.88Å; W157-Q168 HydrophobicContact CB-CG 4.19Å; W157-Q168 PolarHBondContact O-NE2 3.3Å; W157-Q168 VanDerWaalsContact O-NE2 3.12Å; A159-Q168 HydrophobicContact CB-CB 4.37Å; A164-Q168 PolarHBondContact O-N 2.88Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.05Å; Q168-W171 PolarHBondContact O-N 2.67Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.31Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 WeakPolarHBondContact O-CG 3.34Å; Q168-E172 PolarHBondContact O-N 3.49Å
169	R	98.8	Very high	98.5	Very high	164 Å²	164	68.5 Å²	68.5	62%	0.619	36%	0.358	S	S	*	.	H	α-helix	trans	-60	-38.2	-179.4	-68.4	173.1	-165.2	163.7	7.8	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.49Å; Q165-R169 PolarHBondContact O-N 3.34Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.39Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.22Å; R169-A173 PolarHBondContact O-N 2.64Å; R169-A173 VanDerWaalsContact O-N 3.07Å
170	K	98.3	Very high	98.5	Very high	115 Å²	115	68.9 Å²	68.9	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-66.8	-43.7	176.6	-71.9	177.2	177.5	-176.8	0	111.5	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.47Å; I166-K170 WeakPolarHBondContact O-CG 3.18Å; I166-K170 PolarHBondContact O-N 2.88Å; T167-K170 WeakPolarHBondContact O-CB 3.48Å; T167-K170 PolarHBondContact O-N 3.01Å; T167-K170 VanDerWaalsContact O-N 3.1Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.05Å; K170-A173 PolarHBondContact O-N 2.79Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.39Å; K170-A174 PolarHBondContact O-N 3.03Å
171	W	98.6	Very high	98.5	Very high	57 Å²	57	68.3 Å²	68.3	22%	0.216	34%	0.342	C	S	.	.	H	α-helix	trans	-70.6	-37.2	-178.5	-76.3	8.9	0	0	0	112.6	Y140 I148 W157 T167 Q168 A174 R175 V176	Y140-W171 AromaticContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CZ3 4.23Å; Y140-W171 AromaticContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CH2 3.43Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.43Å; Y140-W171 AromaticContact CE2-CZ3 3.96Å; Y140-W171 HydrophobicContact CE2-CZ3 3.96Å; Y140-W171 AromaticContact CZ-CH2 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.16Å; I148-W171 HydrophobicContact CD1-CZ3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 4.14Å; I148-W171 HydrophobicContact CG2-CZ3 3.81Å; W157-W171 AromaticContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CE3 3.91Å; W157-W171 HydrophobicContact CD2-CZ3 4.4Å; W157-W171 AromaticContact CE2-CE3 3.71Å; W157-W171 AromaticContact CE3-CE3 3.88Å; W157-W171 HydrophobicContact CE3-CE3 3.88Å; W157-W171 AromaticContact CE3-CZ3 3.9Å; W157-W171 HydrophobicContact CE3-CZ3 3.9Å; W157-W171 AromaticContact CH2-CE3 3.5Å; W157-W171 HydrophobicContact CH2-CE3 3.5Å; W157-W171 VanDerWaalsContact CH2-CE3 3.5Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.49Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 AromaticContact CZ2-CZ3 3.94Å; W157-W171 HydrophobicContact CZ2-CZ3 3.94Å; W157-W171 AromaticContact CZ3-CE3 3.7Å; W157-W171 HydrophobicContact CZ3-CE3 3.7Å; W157-W171 AromaticContact CZ3-CZ3 3.38Å; W157-W171 HydrophobicContact CZ3-CZ3 3.38Å; T167-W171 HydrophobicContact CG2-CD2 3.63Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 4.08Å; T167-W171 HydrophobicContact CG2-CG 4.03Å; T167-W171 HydrophobicContact CG2-CH2 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 3.81Å; T167-W171 HydrophobicContact CG2-CZ3 4.35Å; T167-W171 PolarHBondContact O-N 2.81Å; Q168-W171 PolarHBondContact O-N 2.67Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; W171-A174 CarbonylContact O-C 3.51Å; W171-A174 PolarHBondContact O-N 3.22Å; W171-R175 WeakPolarHBondContact O-CA 3.44Å; W171-R175 PolarHBondContact O-N 3.38Å; W171-V176 HydrophobicContact CB-CB 3.96Å; W171-V176 HydrophobicContact CB-CG2 3.89Å; W171-V176 HydrophobicContact CD2-CB 4.42Å; W171-V176 HydrophobicContact CD2-CG1 4.25Å; W171-V176 HydrophobicContact CD2-CG2 4.47Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.07Å; W171-V176 HydrophobicContact CG-CG1 4.38Å; W171-V176 HydrophobicContact CG-CG2 3.81Å; W171-V176 PolarHBondContact O-N 2.95Å
172	E	98.6	Very high	98.5	Very high	94 Å²	94	68.7 Å²	68.7	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-46.7	171.8	-72.6	170.2	174.2	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.31Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 WeakPolarHBondContact O-CG 3.34Å; Q168-E172 PolarHBondContact O-N 3.49Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.36Å; E172-R175 PolarHBondContact O-N 3.15Å; E172-R175 VanDerWaalsContact O-N 3.13Å
173	A	98.6	Very high	98.5	Very high	89 Å²	89	66.6 Å²	66.6	74%	0.736	33%	0.332	S	S	*	.	H	α-helix	trans	-61.7	-36.8	176.7	0	0	0	0	0	112.7	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.22Å; R169-A173 PolarHBondContact O-N 2.64Å; R169-A173 VanDerWaalsContact O-N 3.07Å; K170-A173 PolarHBondContact O-N 2.79Å; A173-R175 VanDerWaalsContact C-N 3.35Å
174	A	98.4	Very high	98.5	Very high	60 Å²	60	66.4 Å²	66.4	50%	0.496	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	1.1	177.9	0	0	0	0	0	114	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.39Å; K170-A174 PolarHBondContact O-N 3.03Å; W171-A174 CarbonylContact O-C 3.51Å; W171-A174 PolarHBondContact O-N 3.22Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.36Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.09Å; A174-V176 PolarHBondContact O-N 3.16Å
175	R	98.2	Very high	98.5	Very high	156 Å²	156	71.6 Å²	71.6	59%	0.589	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	40	-178.5	-59.3	176.6	170.1	-143.1	6.7	113.9	W171 E172 A173 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.44Å; W171-R175 PolarHBondContact O-N 3.38Å; E172-R175 PolarHBondContact O-N 3.15Å; E172-R175 VanDerWaalsContact O-N 3.13Å; A173-R175 VanDerWaalsContact C-N 3.35Å; R175-A177 PolarHBondContact O-N 3.12Å; R175-E178 HydrophobicContact CB-CG 4.18Å; R175-E178 WeakPolarHBondContact CD-OE1 3.32Å; R175-E178 IonicContact CZ-OE1 2.84Å; R175-E178 IonicContact NE-OE1 2.73Å; R175-E178 IonicContact NH1-OE1 3.25Å; R175-E178 PolarHBondContact NH1-OE1 3.24Å; R175-E178 VanDerWaalsContact NH1-OE1 3.08Å; R175-E178 IonicContact NH1-OE2 3.54Å; R175-E178 WeakPolarHBondContact O-CB 3.15Å; R175-E178 PolarHBondContact O-N 2.87Å
176	V	98.6	Very high	98.5	Very high	27 Å²	27	69 Å²	69	16%	0.164	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-37	-177.9	176.8	0	0	0	0	111.8	W157 W171 A174 E178 Q179 D180	W157-V176 HydrophobicContact CZ2-CB 4.46Å; W157-V176 HydrophobicContact CZ2-CG1 4.13Å; W171-V176 HydrophobicContact CB-CB 3.96Å; W171-V176 HydrophobicContact CB-CG2 3.89Å; W171-V176 HydrophobicContact CD2-CB 4.42Å; W171-V176 HydrophobicContact CD2-CG1 4.25Å; W171-V176 HydrophobicContact CD2-CG2 4.47Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.07Å; W171-V176 HydrophobicContact CG-CG1 4.38Å; W171-V176 HydrophobicContact CG-CG2 3.81Å; W171-V176 PolarHBondContact O-N 2.95Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.09Å; A174-V176 PolarHBondContact O-N 3.16Å; V176-E178 PolarHBondContact O-N 3.37Å; V176-E178 VanDerWaalsContact O-N 3.16Å; V176-Q179 WeakPolarHBondContact O-CB 3.25Å; V176-Q179 PolarHBondContact O-N 2.88Å; V176-D180 PolarHBondContact O-N 2.84Å
177	A	98.6	Very high	98.5	Very high	7 Å²	7	68.8 Å²	68.8	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-58.5	-29.9	176.9	0	0	0	0	0	113.4	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.88Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å; R175-A177 PolarHBondContact O-N 3.12Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-R181 VanDerWaalsContact O-CB 3.22Å; A177-R181 WeakPolarHBondContact O-CB 3.16Å; A177-R181 PolarHBondContact O-N 3.22Å
178	E	98.4	Very high	98.5	Very high	89 Å²	89	68.1 Å²	68.1	42%	0.416	35%	0.346	S	S	.	.	H	α-helix	trans	-68.7	-35.5	176.6	-64	179.2	-170.5	0	0	111.6	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.18Å; R175-E178 WeakPolarHBondContact CD-OE1 3.32Å; R175-E178 IonicContact CZ-OE1 2.84Å; R175-E178 IonicContact NE-OE1 2.73Å; R175-E178 IonicContact NH1-OE1 3.25Å; R175-E178 PolarHBondContact NH1-OE1 3.24Å; R175-E178 VanDerWaalsContact NH1-OE1 3.08Å; R175-E178 IonicContact NH1-OE2 3.54Å; R175-E178 WeakPolarHBondContact O-CB 3.15Å; R175-E178 PolarHBondContact O-N 2.87Å; V176-E178 PolarHBondContact O-N 3.37Å; V176-E178 VanDerWaalsContact O-N 3.16Å; E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 3.37Å; E178-A182 VanDerWaalsContact O-N 3.09Å
179	Q	97.9	Very high	98.5	Very high	130 Å²	130	66.6 Å²	66.6	61%	0.607	34%	0.339	S	S	*	.	H	α-helix	trans	-71.4	-45.7	177.3	-58.7	176.4	32.8	0	0	110.7	V176 A177 R181 A182 Y183	V176-Q179 WeakPolarHBondContact O-CB 3.25Å; V176-Q179 PolarHBondContact O-N 2.88Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; Q179-R181 VanDerWaalsContact C-N 3.35Å; Q179-R181 PolarHBondContact O-N 2.78Å; Q179-A182 PolarHBondContact O-N 3Å; Q179-Y183 PolarHBondContact O-N 3Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180	D	98.3	Very high	98.5	Very high	31 Å²	31	64.8 Å²	64.8	17%	0.166	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-44.3	176.7	-69.7	-18.8	0	0	0	111	N138 L150 W157 V176 A182 Y183 L184	N138-D180 VanDerWaalsContact ND2-CG 3.31Å; N138-D180 PolarHBondContact ND2-OD2 2.94Å; L150-D180 HydrophobicContact CD2-CB 4.03Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.48Å; W157-D180 WeakPolarHBondContact CZ2-OD2 3.4Å; V176-D180 PolarHBondContact O-N 2.84Å; D180-A182 VanDerWaalsContact C-N 3.33Å; D180-A182 PolarHBondContact O-N 2.98Å; D180-Y183 PolarHBondContact O-N 3.36Å; D180-L184 HydrophobicContact CB-CD1 4.46Å; D180-L184 WeakPolarHBondContact O-CB 3.48Å; D180-L184 WeakPolarHBondContact O-CG 3.04Å; D180-L184 PolarHBondContact O-N 3.45Å
181	R	98.6	Very high	98.4	Very high	49 Å²	49	61.5 Å²	61.5	19%	0.185	32%	0.322	C	S	.	.	H	α-helix	trans	-58.8	-44.4	175.4	-172	178	77.5	-130.9	-4.2	111.7	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.83Å; L154-R181 HydrophobicContact CD1-CG 4.04Å; R155-R181 VanDerWaalsContact NH1-NH1 3.19Å; A177-R181 VanDerWaalsContact O-CB 3.22Å; A177-R181 WeakPolarHBondContact O-CB 3.16Å; A177-R181 PolarHBondContact O-N 3.22Å; Q179-R181 VanDerWaalsContact C-N 3.35Å; Q179-R181 PolarHBondContact O-N 2.78Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.47Å; R181-L184 PolarHBondContact O-N 2.93Å; R181-E185 WeakPolarHBondContact CD-OE1 3.49Å; R181-E185 HydrophobicContact CG-CG 3.9Å; R181-E185 WeakPolarHBondContact CG-OE1 3.33Å; R181-E185 WeakPolarHBondContact CG-OE2 3.17Å; R181-E185 IonicContact NE-OE2 3.02Å; R181-E185 WeakPolarHBondContact O-CB 3.25Å; R181-E185 WeakPolarHBondContact O-CG 3.47Å; R181-E185 PolarHBondContact O-N 2.97Å
182	A	98.6	Very high	98.4	Very high	63 Å²	63	58.8 Å²	58.8	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-38.7	178.2	0	0	0	0	0	112.4	E178 Q179 D180 G186	E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 3.37Å; E178-A182 VanDerWaalsContact O-N 3.09Å; Q179-A182 PolarHBondContact O-N 3Å; D180-A182 VanDerWaalsContact C-N 3.33Å; D180-A182 PolarHBondContact O-N 2.98Å; A182-G186 PolarHBondContact O-N 3.22Å
183	Y	98.5	Very high	98.3	Very high	67 Å²	67	59.3 Å²	59.3	26%	0.263	31%	0.31	S	S	.	.	I	π-helix	trans	-67.1	-48.6	173	168.5	-99.2	0	0	0	112	Y123 Q179 D180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CE2-CE1 4.36Å; Q179-Y183 PolarHBondContact O-N 3Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; D180-Y183 PolarHBondContact O-N 3.36Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.47Å; Y183-G186 CarbonylContact O-C 3.6Å; Y183-G186 PolarHBondContact O-N 3.23Å; Y183-T187 HydrophobicContact CD2-CG2 4.06Å; Y183-T187 HydrophobicContact CE2-CG2 4Å; Y183-T187 PolarHBondContact O-N 3.39Å; Y183-C188 HydrophobicContact CD1-CB 4.25Å; Y183-C188 HydrophobicContact CE1-CB 3.8Å; Y183-C188 HydrophobicContact CE2-CB 4.4Å; Y183-C188 WeakPolarHBondContact O-CB 3.37Å; Y183-C188 PolarHBondContact O-N 2.94Å
184	L	98.8	Very high	98.2	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.016	30%	0.296	C	S	.	.	I	π-helix	trans	-67.6	-38.8	-174.1	-69.1	168.5	0	0	0	112.6	G124 L150 L154 D180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.46Å; L150-L184 HydrophobicContact CD2-CD1 3.8Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; D180-L184 HydrophobicContact CB-CD1 4.46Å; D180-L184 WeakPolarHBondContact O-CB 3.48Å; D180-L184 WeakPolarHBondContact O-CG 3.04Å; D180-L184 PolarHBondContact O-N 3.45Å; R181-L184 PolarHBondContact O-N 2.93Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å
185	E	98.4	Very high	98.1	Very high	108 Å²	108	58 Å²	58	51%	0.505	27%	0.273	S	S	.	.	I	π-helix	trans	-81.4	-24.2	178.1	-68	178.5	163.2	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.44Å; L133-E185 HydrophobicContact CD2-CG 3.71Å; L154-E185 HydrophobicContact CD1-CG 4.33Å; R181-E185 WeakPolarHBondContact CD-OE1 3.49Å; R181-E185 HydrophobicContact CG-CG 3.9Å; R181-E185 WeakPolarHBondContact CG-OE1 3.33Å; R181-E185 WeakPolarHBondContact CG-OE2 3.17Å; R181-E185 IonicContact NE-OE2 3.02Å; R181-E185 WeakPolarHBondContact O-CB 3.25Å; R181-E185 WeakPolarHBondContact O-CG 3.47Å; R181-E185 PolarHBondContact O-N 2.97Å
186	G	98.4	Very high	97.9	Very high	20 Å²	20	50.6 Å²	50.6	21%	0.206	25%	0.245	C	C	.	.	I	π-helix	trans	-109.2	-96.3	-177.6	0	0	0	0	0	112.2	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.22Å; Y183-G186 CarbonylContact O-C 3.6Å; Y183-G186 PolarHBondContact O-N 3.23Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.25Å; G186-C188 VanDerWaalsContact O-N 3.13Å; G186-V189 PolarHBondContact O-N 2.83Å; G186-E190 WeakPolarHBondContact O-CG 3.31Å; G186-E190 PolarHBondContact O-N 2.81Å
187	T	98.3	Very high	97.7	Very high	61 Å²	61	55 Å²	55	37%	0.374	26%	0.264	S	S	.	.	I	π-helix	trans	-49.2	-43.4	-171.8	-54.3	0	0	0	0	113.3	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 4.06Å; Y183-T187 HydrophobicContact CE2-CG2 4Å; Y183-T187 PolarHBondContact O-N 3.39Å; T187-E190 PolarHBondContact O-N 3.08Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.19Å; T187-W191 VanDerWaalsContact O-CD1 3.22Å; T187-W191 PolarHBondContact O-N 3.4Å
188	C	98.7	Very high	97.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-49.9	-179.6	-170.9	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.44Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.46Å; C125-C188 PolarHBondContact N-SG 3.22Å; C125-C188 WeakPolarHBondContact SG-CB 3.46Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.94Å; Y183-C188 HydrophobicContact CD1-CB 4.25Å; Y183-C188 HydrophobicContact CE1-CB 3.8Å; Y183-C188 HydrophobicContact CE2-CB 4.4Å; Y183-C188 WeakPolarHBondContact O-CB 3.37Å; Y183-C188 PolarHBondContact O-N 2.94Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.25Å; G186-C188 VanDerWaalsContact O-N 3.13Å; C188-W191 PolarHBondContact O-N 3.28Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 2.91Å
189	V	98.6	Very high	97	Very high	8 Å²	8	52.2 Å²	52.2	5%	0.048	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-42.5	179.6	174.6	0	0	0	0	111.1	V127 G131 L133 L184 G186 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 4.04Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; G131-V189 WeakPolarHBondContact O-CG1 3.36Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 4Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å; G186-V189 PolarHBondContact O-N 2.83Å; V189-L192 PolarHBondContact O-N 3.16Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 2.67Å
190	E	98.3	Very high	96.5	Very high	127 Å²	127	48.9 Å²	48.9	59%	0.593	24%	0.235	S	C	*	.	H	α-helix	trans	-60.6	-47	178.6	-71.5	176.5	-179.2	0	0	112.1	G186 T187 R194	G186-E190 WeakPolarHBondContact O-CG 3.31Å; G186-E190 PolarHBondContact O-N 2.81Å; T187-E190 PolarHBondContact O-N 3.08Å; E190-R194 PolarHBondContact O-N 2.88Å; E190-R194 VanDerWaalsContact O-N 3.14Å
191	W	98.1	Very high	95.8	Very high	46 Å²	46	52.6 Å²	52.6	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-71.3	-38.7	179.3	-81.3	97.6	0	0	0	112.5	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.2Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.96Å; Y83-W191 HydrophobicContact CE2-CH2 3.96Å; Y83-W191 AromaticContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CZ3 3.72Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.19Å; T187-W191 VanDerWaalsContact O-CD1 3.22Å; T187-W191 PolarHBondContact O-N 3.4Å; C188-W191 PolarHBondContact O-N 3.28Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.81Å; W191-R194 PolarHBondContact O-N 3.35Å; W191-R194 VanDerWaalsContact O-N 3.16Å; W191-Y195 HydrophobicContact CB-CE2 3.97Å; W191-Y195 HydrophobicContact CE3-CD1 4.3Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.33Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-OH 3.23Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.19Å; W191-Y195 PolarHBondContact O-N 3.03Å
192	L	98	Very high	94.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-47	174.8	175.4	52.2	0	0	0	110.9	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.42Å; H27-L192 HydrophobicContact CB-CD2 4.47Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 3.99Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.4Å; M29-L192 HydrophobicContact SD-CB 4.49Å; V52-L192 HydrophobicContact CG1-CD1 3.73Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.94Å; V127-L192 HydrophobicContact CG2-CD2 3.54Å; V127-L192 HydrophobicContact CG2-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 2.91Å; V189-L192 PolarHBondContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.23Å; L192-Y195 PolarHBondContact O-N 3.34Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.4Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 2.79Å
193	R	95.9	Very high	93.9	Very high	105 Å²	105	51.8 Å²	51.8	40%	0.396	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-41.7	175.7	-70.4	173.5	-177.2	-174	1.6	112.6	G131 V189 W191 E197	G131-R193 VanDerWaalsContact O-CZ 3.23Å; G131-R193 PolarHBondContact O-NE 3.44Å; G131-R193 PolarHBondContact O-NH2 2.86Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 2.67Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.81Å; R193-E197 PolarHBondContact O-N 2.78Å
194	R	96.3	Very high	92.3	Very high	119 Å²	119	51.9 Å²	51.9	45%	0.449	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-43.3	176.6	179.2	177.7	172.9	103.9	-4.3	111.8	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.78Å; E79-R194 IonicContact OE1-NE 3.07Å; E79-R194 PolarHBondContact OE1-NE 2.81Å; E79-R194 IonicContact OE1-NH2 3.44Å; E79-R194 PolarHBondContact OE1-NH2 2.83Å; E79-R194 IonicContact OE2-CZ 3.66Å; E79-R194 IonicContact OE2-NE 3.83Å; E79-R194 PolarHBondContact OE2-NE 3.28Å; E79-R194 IonicContact OE2-NH2 2.79Å; E79-R194 PolarHBondContact OE2-NH2 2.77Å; E190-R194 PolarHBondContact O-N 2.88Å; E190-R194 VanDerWaalsContact O-N 3.14Å; W191-R194 PolarHBondContact O-N 3.35Å; W191-R194 VanDerWaalsContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.23Å; R194-E197 PolarHBondContact O-N 3.44Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.07Å; R194-N198 PolarHBondContact O-OD1 2.97Å
195	Y	96	Very high	90.4	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-38	179.6	-63.1	-29.1	0	0	0	112.8	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.82Å; V52-Y195 HydrophobicContact CG2-CG 4.29Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.08Å; F57-Y195 HydrophobicContact CE2-CE1 4.48Å; F57-Y195 AromaticContact CE2-CE2 3.55Å; F57-Y195 HydrophobicContact CE2-CE2 3.55Å; F57-Y195 AromaticContact CE2-CZ 3.78Å; F57-Y195 HydrophobicContact CZ-CD2 4.11Å; F57-Y195 AromaticContact CZ-CE2 3.64Å; F57-Y195 HydrophobicContact CZ-CE2 3.64Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 AromaticContact CZ3-CG 3.75Å; W75-Y195 HydrophobicContact CZ3-CG 3.75Å; I76-Y195 HydrophobicContact CD1-CD1 3.66Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å; Y83-Y195 HydrophobicContact CE2-CE1 4.45Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 3.07Å; W191-Y195 HydrophobicContact CB-CE2 3.97Å; W191-Y195 HydrophobicContact CE3-CD1 4.3Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.33Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-OH 3.23Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.19Å; W191-Y195 PolarHBondContact O-N 3.03Å; L192-Y195 PolarHBondContact O-N 3.34Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-N198 PolarHBondContact O-N 3.13Å; Y195-G199 PolarHBondContact O-N 2.96Å
196	L	94.9	Very high	87.9	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-42.7	172.8	-71.9	171.9	0	0	0	110.8	W23 H27 V52 L192 G199 K200 L203	W23-L196 HydrophobicContact CD2-CB 4.22Å; W23-L196 HydrophobicContact CD2-CD1 4.19Å; W23-L196 HydrophobicContact CE3-CB 3.71Å; W23-L196 HydrophobicContact CE3-CD1 4.09Å; W23-L196 HydrophobicContact CE3-CD2 4.4Å; W23-L196 HydrophobicContact CE3-CG 4.3Å; W23-L196 HydrophobicContact CH2-CB 3.35Å; W23-L196 VanDerWaalsContact CH2-O 3.31Å; W23-L196 WeakPolarHBondContact CH2-O 3.35Å; W23-L196 HydrophobicContact CZ2-CB 3.77Å; W23-L196 HydrophobicContact CZ3-CB 3.31Å; W23-L196 HydrophobicContact CZ3-CD2 4.45Å; W23-L196 HydrophobicContact CZ3-CG 4.3Å; W23-L196 WeakPolarHBondContact CZ3-O 3.47Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.08Å; H27-L196 HydrophobicContact CB-CG 4.46Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.47Å; V52-L196 HydrophobicContact CG1-CD2 3.89Å; V52-L196 HydrophobicContact CG1-CG 4.38Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.4Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 2.79Å; L196-G199 CarbonylContact O-C 3.43Å; L196-G199 PolarHBondContact O-N 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.21Å; L196-K200 PolarHBondContact O-N 3.15Å; L196-L203 HydrophobicContact CD2-CD1 4.24Å
197	E	93.4	Very high	87.3	Confident	120 Å²	120	65 Å²	65	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-63.4	-47.7	174.9	-174.4	63.2	-151.3	0	0	111.8	W23 R193 R194 Y195 G199 K200	W23-E197 HydrophobicContact CH2-CB 4.29Å; W23-E197 HydrophobicContact CZ2-CB 4.36Å; R193-E197 PolarHBondContact O-N 2.78Å; R194-E197 PolarHBondContact O-N 3.44Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 2.74Å; E197-K200 PolarHBondContact O-N 3.47Å
198	N	92.9	Very high	86.8	Confident	36 Å²	36	65.2 Å²	65.2	19%	0.193	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-36.8	177	-65.8	-6.8	0	0	0	112	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.48Å; W75-N198 WeakPolarHBondContact CB-O 3.37Å; W75-N198 HydrophobicContact CE3-CB 4.33Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 2.75Å; Q78-N198 PolarHBondContact NE2-OD1 2.89Å; E79-N198 PolarHBondContact OE1-ND2 3.31Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.07Å; R194-N198 PolarHBondContact O-OD1 2.97Å; Y195-N198 PolarHBondContact O-N 3.13Å
199	G	91.1	Very high	86.1	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.01	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	8.5	-174	0	0	0	0	0	114.9	Y195 L196 E197 D201 T202 L203	Y195-G199 PolarHBondContact O-N 2.96Å; L196-G199 CarbonylContact O-C 3.43Å; L196-G199 PolarHBondContact O-N 3.22Å; E197-G199 PolarHBondContact O-N 2.74Å; G199-D201 VanDerWaalsContact C-N 3.26Å; G199-D201 PolarHBondContact O-N 3.5Å; G199-D201 VanDerWaalsContact O-N 3.08Å; G199-T202 CarbonylContact O-C 3.45Å; G199-T202 WeakPolarHBondContact O-CA 3.49Å; G199-T202 PolarHBondContact O-N 3.03Å; G199-T202 PolarHBondContact O-OG1 3.13Å; G199-L203 PolarHBondContact O-N 3.3Å
200	K	87.4	Confident	85.4	Confident	60 Å²	60	72.4 Å²	72.4	26%	0.261	36%	0.357	S	S	.	.	H	α-helix	trans	-42.4	-49.1	-172.7	161.2	167.7	-176.5	172.9	0	113.6	E21 L196 E197 T202 E204	E21-K200 IonicContact OE1-NZ 3.52Å; E21-K200 PolarHBondContact OE1-NZ 2.84Å; E21-K200 IonicContact OE2-NZ 2.95Å; E21-K200 PolarHBondContact OE2-NZ 2.87Å; L196-K200 WeakPolarHBondContact O-CA 3.21Å; L196-K200 PolarHBondContact O-N 3.15Å; E197-K200 PolarHBondContact O-N 3.47Å; K200-T202 PolarHBondContact O-N 3.07Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-E204 PolarHBondContact O-N 3.12Å
201	D	82	Confident	84.5	Confident	108 Å²	108	68.9 Å²	68.9	58%	0.578	34%	0.343	S	S	*	.	H	α-helix	trans	-67.2	-17.7	-177.2	-78.7	-39.7	0	0	0	114.7	G199 R205	G199-D201 VanDerWaalsContact C-N 3.26Å; G199-D201 PolarHBondContact O-N 3.5Å; G199-D201 VanDerWaalsContact O-N 3.08Å; D201-R205 VanDerWaalsContact O-CD 3.31Å; D201-R205 WeakPolarHBondContact O-CD 3.38Å; D201-R205 PolarHBondContact O-NE 2.99Å; D201-R205 IonicContact OD1-NH2 3.6Å; D201-R205 PolarHBondContact OD1-NH2 3.2Å; D201-R205 VanDerWaalsContact OD1-NH2 3.07Å
202	T	79.2	Confident	83.6	Confident	85 Å²	85	70.5 Å²	70.5	52%	0.521	35%	0.354	S	S	.	.	H	α-helix	trans	-114.4	-34.7	-175.2	56.2	0	0	0	0	113.8	G199 K200	G199-T202 CarbonylContact O-C 3.45Å; G199-T202 WeakPolarHBondContact O-CA 3.49Å; G199-T202 PolarHBondContact O-N 3.03Å; G199-T202 PolarHBondContact O-OG1 3.13Å; K200-T202 PolarHBondContact O-N 3.07Å; K200-T202 VanDerWaalsContact O-N 3.16Å
203	L	77.8	Confident	82.6	Confident	10 Å²	10	75.5 Å²	75.5	5%	0.052	38%	0.379	C	S	.	.	H	α-helix	trans	-89.5	-33.2	-173.7	-64.6	174	0	0	0	112.6	V52 T55 W75 L196 G199 R205	V52-L203 HydrophobicContact CG1-CD1 3.88Å; T55-L203 HydrophobicContact CG2-CD2 4.25Å; W75-L203 HydrophobicContact CZ2-CD1 4.05Å; W75-L203 HydrophobicContact CZ2-CD2 4.49Å; L196-L203 HydrophobicContact CD2-CD1 4.24Å; G199-L203 PolarHBondContact O-N 3.3Å; L203-R205 VanDerWaalsContact C-N 3.3Å; L203-R205 PolarHBondContact O-N 3.39Å
204	E	66.2	Low	81.6	Confident	70 Å²	70	73.2 Å²	73.2	33%	0.327	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.4	-179.1	-60.7	-169.3	136.4	0	0	114	W23 K200	W23-E204 HydrophobicContact CE3-CG 4.15Å; W23-E204 HydrophobicContact CZ3-CG 3.91Å; W23-E204 WeakPolarHBondContact CZ3-OE1 3.29Å; K200-E204 PolarHBondContact O-N 3.12Å
205	R	58.4	Low	80.4	Confident	192 Å²	192	69.4 Å²	69.4	73%	0.725	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-1.1	-179.8	-61.2	-173.3	-170.6	164.1	10	113.6	D201 L203	D201-R205 VanDerWaalsContact O-CD 3.31Å; D201-R205 WeakPolarHBondContact O-CD 3.38Å; D201-R205 PolarHBondContact O-NE 2.99Å; D201-R205 IonicContact OD1-NH2 3.6Å; D201-R205 PolarHBondContact OD1-NH2 3.2Å; D201-R205 VanDerWaalsContact OD1-NH2 3.07Å; L203-R205 VanDerWaalsContact C-N 3.3Å; L203-R205 PolarHBondContact O-N 3.39Å
206	A	45.2	Very low	79	Confident	148 Å²	148	75.5 Å²	75.5	100%	1.223	41%	0.405	S	S	*	.			trans	-85.6	0	-177.4	0	0	0	0	0	112

Retrieved 206 of 206 residues in 1131.5 ms (Link to these results)

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