A0A090KEW9_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KEW9, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 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	34.9	Very low	40.8	Very low	242 Å²	242	143 Å²	143	100%	1.192	75%	0.746	S	S	*	*				0	101.6	0	-72.1	166	179.4	0	0	107.8
2	R	32.7	Very low	41	Very low	246 Å²	246	142.5 Å²	142.5	93%	0.928	74%	0.743	S	S	*	*			trans	-91.2	111.2	171.7	-87.9	-179.8	174.3	164.4	-2.2	106.7	T4	R2-T4 PolarHBondContact O-N 3.27Å
3	V	34.8	Very low	40.7	Very low	141 Å²	141	139.5 Å²	139.5	86%	0.855	73%	0.728	S	S	*	*			trans	-73.9	103.9	173.1	178.6	0	0	0	0	106.9	A5	V3-A5 PolarHBondContact O-N 3.48Å
4	T	41.3	Very low	40.2	Very low	131 Å²	131	143.1 Å²	143.1	80%	0.804	73%	0.727	S	S	*	*			trans	-72.5	106.9	167.5	35.6	0	0	0	0	108.3	R2	R2-T4 PolarHBondContact O-N 3.27Å
5	A	40.7	Very low	40	Very low	79 Å²	79	136.1 Å²	136.1	65%	0.653	71%	0.705	S	S	*	*			trans	-60	141.7	167.1	0	0	0	0	0	109.6	V3 R7	V3-A5 PolarHBondContact O-N 3.48Å; A5-R7 PolarHBondContact O-N 2.91Å
6	P	40.3	Very low	40.1	Very low	81 Å²	81	131.2 Å²	131.2	53%	0.526	69%	0.691	S	S	.	*			trans	-70.2	123.3	-175.5	27.6	-31.4	0	0	0	110.1	T8 V9	P6-T8 PolarHBondContact O-N 3.5Å; P6-V9 HydrophobicContact CG-CG2 4.02Å; P6-V9 PolarHBondContact O-N 2.87Å; P6-V9 VanDerWaalsContact O-N 3.11Å
7	R	46.8	Very low	40.1	Very low	229 Å²	229	128 Å²	128	86%	0.864	68%	0.677	S	S	*	*	H	α-helix	trans	-53.6	-16.1	177.6	-90.9	178.7	154.8	123	-5.7	114.4	A5	A5-R7 PolarHBondContact O-N 2.91Å
8	T	46.3	Very low	40	Very low	100 Å²	100	124.2 Å²	124.2	61%	0.613	67%	0.667	S	S	*	*	H	α-helix	trans	-74.3	-28.8	177.5	31.4	0	0	0	0	114	P6	P6-T8 PolarHBondContact O-N 3.5Å
9	V	44.3	Very low	40	Very low	85 Å²	85	122.9 Å²	122.9	52%	0.515	66%	0.659	S	S	.	*	H	α-helix	trans	-76.5	-28.3	178.5	177	0	0	0	0	111.6	P6 L13	P6-V9 HydrophobicContact CG-CG2 4.02Å; P6-V9 PolarHBondContact O-N 2.87Å; P6-V9 VanDerWaalsContact O-N 3.11Å; V9-L13 HydrophobicContact CG1-CD1 4.46Å
10	L	40.4	Very low	39.9	Very low	113 Å²	113	121.5 Å²	121.5	59%	0.592	66%	0.656	S	S	*	*	H	α-helix	trans	-71.6	-32.2	179.8	-132.1	87.8	0	0	0	112.9	W14	L10-W14 PolarHBondContact O-N 3.42Å
11	L	45.9	Very low	39.7	Very low	126 Å²	126	123.2 Å²	123.2	66%	0.66	66%	0.66	S	S	*	*	H	α-helix	trans	-74.3	-35	-179.5	-75.5	164.7	0	0	0	112.8	L13 W14 G15	L11-L13 VanDerWaalsContact C-N 3.32Å; L11-W14 PolarHBondContact O-N 3.38Å; L11-G15 PolarHBondContact O-N 2.91Å
12	L	43.1	Very low	40.1	Very low	137 Å²	137	116.2 Å²	116.2	72%	0.717	63%	0.631	S	S	*	*	H	α-helix	trans	-67.5	-34.3	175.2	-72.4	168.1	0	0	0	112	A16	L12-A16 PolarHBondContact O-N 3.49Å; L12-A16 VanDerWaalsContact O-N 3.13Å
13	L	37.1	Very low	40.7	Very low	103 Å²	103	106.9 Å²	106.9	54%	0.539	60%	0.595	S	S	.	*	H	α-helix	trans	-69.6	-34.4	174.1	-75.1	164.4	0	0	0	112.1	V9 L11 V17	V9-L13 HydrophobicContact CG1-CD1 4.46Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L13-V17 VanDerWaalsContact O-CB 3.32Å; L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 WeakPolarHBondContact O-CG2 3.32Å; L13-V17 PolarHBondContact O-N 2.89Å
14	W	34.1	Very low	41.7	Very low	190 Å²	190	103.7 Å²	103.7	72%	0.72	58%	0.584	S	S	*	*	H	α-helix	trans	-74.4	-34.4	176.1	-78.6	42.6	0	0	0	112.4	L10 L11 A18	L10-W14 PolarHBondContact O-N 3.42Å; L11-W14 PolarHBondContact O-N 3.38Å; W14-A18 WeakPolarHBondContact O-CB 3.3Å; W14-A18 PolarHBondContact O-N 3.45Å
15	G	38.1	Very low	43.3	Very low	38 Å²	38	98.4 Å²	98.4	39%	0.392	56%	0.555	S	S	.	*	H	α-helix	trans	-64.8	-40.5	172.5	0	0	0	0	0	112.9	L11 L19	L11-G15 PolarHBondContact O-N 2.91Å; G15-L19 WeakPolarHBondContact O-CD1 3.39Å; G15-L19 PolarHBondContact O-N 3.39Å
16	A	40.5	Very low	45.7	Very low	58 Å²	58	97.8 Å²	97.8	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-72.5	-36.8	176.7	0	0	0	0	0	113.1	L12 T20	L12-A16 PolarHBondContact O-N 3.49Å; L12-A16 VanDerWaalsContact O-N 3.13Å; A16-T20 WeakPolarHBondContact O-CG2 3.41Å; A16-T20 PolarHBondContact O-N 3.36Å; A16-T20 PolarHBondContact O-OG1 3.3Å
17	V	40.7	Very low	48.3	Very low	77 Å²	77	95.3 Å²	95.3	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-76.1	-37.5	179.4	173.4	0	0	0	0	111.9	L13 L19 T20 E21	L13-V17 VanDerWaalsContact O-CB 3.32Å; L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 WeakPolarHBondContact O-CG2 3.32Å; L13-V17 PolarHBondContact O-N 2.89Å; V17-L19 VanDerWaalsContact C-N 3.26Å; V17-L19 PolarHBondContact O-N 2.99Å; V17-T20 WeakPolarHBondContact CA-OG1 3.38Å; V17-T20 PolarHBondContact O-N 2.87Å; V17-T20 PolarHBondContact O-OG1 3.06Å; V17-E21 PolarHBondContact O-N 3.2Å
18	A	38.7	Very low	50.8	Low	60 Å²	60	85.6 Å²	85.6	50%	0.496	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-27.8	178	0	0	0	0	0	113	W14	W14-A18 WeakPolarHBondContact O-CB 3.3Å; W14-A18 PolarHBondContact O-N 3.45Å
19	L	39	Very low	53.3	Low	99 Å²	99	80.8 Å²	80.8	52%	0.518	47%	0.465	S	S	.	.	H	α-helix	trans	-84.4	-21	176.9	-83.2	158.8	0	0	0	113.4	G15 V17	G15-L19 WeakPolarHBondContact O-CD1 3.39Å; G15-L19 PolarHBondContact O-N 3.39Å; V17-L19 VanDerWaalsContact C-N 3.26Å; V17-L19 PolarHBondContact O-N 2.99Å
20	T	37.5	Very low	55.9	Low	95 Å²	95	79.3 Å²	79.3	58%	0.583	45%	0.45	S	S	*	.	H	α-helix	trans	-83.8	-25.8	176.1	49.8	0	0	0	0	113.5	A16 V17	A16-T20 WeakPolarHBondContact O-CG2 3.41Å; A16-T20 PolarHBondContact O-N 3.36Å; A16-T20 PolarHBondContact O-OG1 3.3Å; V17-T20 WeakPolarHBondContact CA-OG1 3.38Å; V17-T20 PolarHBondContact O-N 2.87Å; V17-T20 PolarHBondContact O-OG1 3.06Å
21	E	36.9	Very low	58.6	Low	158 Å²	158	74.6 Å²	74.6	74%	0.738	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.1	-179	-84.7	-168.8	155.8	0	0	114.1	V17 W23	V17-E21 PolarHBondContact O-N 3.2Å; E21-W23 PolarHBondContact O-N 3.36Å
22	T	42.8	Very low	61.2	Low	95 Å²	95	72.5 Å²	72.5	58%	0.583	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.2	-174	54.7	0	0	0	0	114.9
23	W	46.3	Very low	63.8	Low	49 Å²	49	66.3 Å²	66.3	19%	0.186	38%	0.378	C	S	.	.	S	Bend	trans	-99.9	-21.4	-168.9	-75.3	73.1	0	0	0	114.7	E21 G25 E236 E288	E21-W23 PolarHBondContact O-N 3.36Å; W23-G25 PolarHBondContact O-N 3.11Å; W23-E236 HydrophobicContact CH2-CB 4.11Å; W23-E236 HydrophobicContact CH2-CG 3.5Å; W23-E236 HydrophobicContact CZ2-CG 4Å; W23-E236 HydrophobicContact CZ3-CB 4Å; W23-E236 HydrophobicContact CZ3-CG 3.83Å; W23-E236 VanDerWaalsContact CZ3-O 3.27Å; W23-E236 WeakPolarHBondContact CZ3-O 3.41Å; W23-E288 HydrophobicContact CB-CG 4.45Å; W23-E288 HydrophobicContact CE3-CB 3.91Å; W23-E288 WeakPolarHBondContact O-CG 3.44Å
24	A	54.7	Low	66.7	Low	74 Å²	74	63 Å²	63	61%	0.612	36%	0.362	S	S	*	.	S	Bend	trans	-94.4	101.8	-174.5	0	0	0	0	0	111.6
25	G	74.3	Confident	69.8	Low	20 Å²	20	54 Å²	54	21%	0.206	33%	0.328	C	S	.	.	S	Bend	trans	101.1	10.5	150.8	0	0	0	0	0	118.7	W23 P129	W23-G25 PolarHBondContact O-N 3.11Å; G25-P129 WeakPolarHBondContact O-CA 3.44Å; G25-P129 WeakPolarHBondContact O-CG 3.5Å
26	S	91.3	Very high	72.7	Confident	66 Å²	66	55.1 Å²	55.1	46%	0.462	32%	0.324	S	S	.	.			trans	-81.3	142.4	165	62.2	0	0	0	0	110.4	V127	S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.36Å; S26-V127 WeakPolarHBondContact CB-O 3.48Å
27	H	96.3	Very high	75.4	Confident	30 Å²	30	53 Å²	53	14%	0.139	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.2	177.6	-68.5	-76.7	0	0	0	111	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 2.8Å; H27-D53 IonicContact CG-OD2 2.89Å; H27-D53 IonicContact ND1-OD1 2.93Å; H27-D53 IonicContact ND1-OD2 3.33Å; H27-D53 PolarHBondContact ND1-OD2 3.41Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.33Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.97Å; H27-V127 VanDerWaalsContact N-O 3.14Å; H27-V127 PolarHBondContact O-N 2.74Å; H27-L192 HydrophobicContact CB-CD1 4.43Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.22Å
28	S	97.9	Very high	78	Confident	24 Å²	24	52.8 Å²	52.8	17%	0.168	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.7	178.3	65.4	0	0	0	0	112.1	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.48Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; S28-D53 PolarHBondContact N-OD1 3.45Å; S28-D53 PolarHBondContact O-N 3.44Å; S28-C125 CarbonylContact C-O 3.56Å; S28-C125 WeakPolarHBondContact CA-O 3.32Å; S28-D126 WeakPolarHBondContact CB-OD1 3.13Å
29	M	98.6	Very high	80.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.7	165	-174.7	171.1	59.9	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192	M29-Y31 HydrophobicContact CE-CE2 4.11Å; M29-Y31 HydrophobicContact CG-CE2 4.04Å; M29-Y31 HydrophobicContact SD-CE2 3.98Å; M29-Y51 CarbonylContact C-O 3.51Å; M29-Y51 WeakPolarHBondContact CA-O 3.18Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; M29-F57 HydrophobicContact CG-CE1 4.33Å; M29-F57 HydrophobicContact CG-CZ 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.17Å; M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.18Å; M29-C125 PolarHBondContact N-O 3.42Å; M29-C125 PolarHBondContact O-N 2.85Å; M29-C188 HydrophobicContact CE-CB 4.25Å; M29-C188 WeakPolarHBondContact CE-O 3.41Å; M29-C188 VanDerWaalsContact CE-SG 3.56Å; M29-W191 HydrophobicContact CE-CB 3.93Å; M29-W191 HydrophobicContact SD-CB 4.37Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 3.99Å; M29-L192 HydrophobicContact CB-CD2 4.17Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.39Å
30	R	98.7	Very high	83.1	Confident	54 Å²	54	52.1 Å²	52.1	20%	0.204	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.6	-177.1	-57.9	-63.5	-176.1	78	5.2	110.9	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; R30-Y51 PolarHBondContact N-O 2.93Å; R30-Y51 PolarHBondContact O-N 3.27Å; R30-D126 IonicContact CZ-OD1 3.72Å; R30-D126 IonicContact NE-OD1 3.57Å; R30-D126 PolarHBondContact NE-OD1 2.94Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NH2-CG 3.31Å; R30-D126 IonicContact NH2-OD1 2.75Å; R30-D126 PolarHBondContact NH2-OD1 3.45Å; R30-D126 IonicContact NH2-OD2 2.73Å; R30-D126 PolarHBondContact NH2-OD2 3.33Å; R30-H137 PolarHBondContact NH2-NE2 3.25Å; R30-H137 VanDerWaalsContact NH2-NE2 3.13Å
31	Y	98.8	Very high	85.7	Confident	13 Å²	13	57.4 Å²	57.4	5%	0.051	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.7	170.1	-69	-89.2	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.11Å; M29-Y31 HydrophobicContact CG-CE2 4.04Å; M29-Y31 HydrophobicContact SD-CE2 3.98Å; Y31-Y33 HydrophobicContact CD1-CE1 4.25Å; Y31-Y33 HydrophobicContact CG-CE1 4.5Å; Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.44Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.36Å; Y31-V58 HydrophobicContact CE1-CG2 4.07Å; Y31-M122 WeakPolarHBondContact O-CA 3.4Å; Y31-Y123 HydrophobicContact CD2-CD2 4.39Å; Y31-Y123 AromaticContact CD2-CE2 3.63Å; Y31-Y123 HydrophobicContact CD2-CE2 3.63Å; Y31-Y123 AromaticContact CD2-CZ 3.76Å; Y31-Y123 HydrophobicContact CE2-CE2 4.41Å; Y31-Y123 HydrophobicContact CG-CE1 4.25Å; Y31-Y123 HydrophobicContact CG-CE2 4.09Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.19Å; Y31-Y123 PolarHBondContact O-N 3.49Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.8	Very high	88.3	Confident	82 Å²	82	52.6 Å²	52.6	36%	0.36	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116	177.7	-57.8	-95	0	0	0	109.4	R30 A48 V49 Y51 T121 M122	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-A48 WeakPolarHBondContact O-CA 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.82Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.47Å; F32-V49 PolarHBondContact O-N 2.88Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; F32-T121 WeakPolarHBondContact CA-O 3.42Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.1Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CZ-CG 3.97Å
33	Y	98.8	Very high	90.8	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.027	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.1	179	-62.3	-10.5	0	0	0	109.4	Y31 F46 I47 A48 N94 Y98 Q120 T121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.25Å; Y31-Y33 HydrophobicContact CG-CE1 4.5Å; Y33-F46 HydrophobicContact CD1-CZ 4.29Å; Y33-F46 HydrophobicContact CD2-CE2 4.38Å; Y33-F46 HydrophobicContact CD2-CZ 4Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.86Å; Y33-F46 HydrophobicContact CG-CZ 3.86Å; Y33-I47 WeakPolarHBondContact CA-O 3.38Å; Y33-A48 HydrophobicContact CD1-CB 3.27Å; Y33-A48 HydrophobicContact CE1-CB 3.35Å; Y33-A48 HydrophobicContact CG-CB 4.22Å; Y33-N94 VanDerWaalsContact CE2-ND2 3.33Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.45Å; Y33-Y98 HydrophobicContact CD2-CE2 4.33Å; Y33-Y98 AromaticContact CD2-CZ 3.89Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.19Å; Y33-Q120 CarbonylContact O-C 3.58Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; Y33-T121 PolarHBondContact N-O 2.82Å; Y33-T121 PolarHBondContact O-N 3.45Å; Y33-Y123 HydrophobicContact CD2-CE1 4.05Å; Y33-Y123 HydrophobicContact CE1-CE1 4.27Å; Y33-Y123 AromaticContact CE2-CE1 3.48Å; Y33-Y123 HydrophobicContact CE2-CE1 3.48Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.48Å; Y33-Y123 AromaticContact CZ-CE1 3.61Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 2.82Å
34	T	98.8	Very high	93.3	Very high	34 Å²	34	50.9 Å²	50.9	21%	0.209	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	123.5	178	-58	0	0	0	0	109.3	M36 F46 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CE 4.2Å; T34-M36 HydrophobicContact CG2-CG 4.04Å; T34-M36 HydrophobicContact CG2-SD 4.31Å; T34-F46 CarbonylContact O-C 3.57Å; T34-F46 WeakPolarHBondContact O-CA 3.2Å; T34-I47 PolarHBondContact N-O 3.05Å; T34-I47 PolarHBondContact O-N 2.94Å; T34-T118 HydrophobicContact CG2-CG2 3.99Å; T34-Q120 HydrophobicContact CG2-CG 3.99Å
35	A	98.6	Very high	95.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.9	170.3	0	0	0	0	0	110.1	R45 F46 Y98 L102 T118 W119	A35-R45 CarbonylContact C-O 3.55Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.43Å; A35-F46 HydrophobicContact CB-CD2 4.27Å; A35-Y98 HydrophobicContact CB-CD1 3.87Å; A35-Y98 HydrophobicContact CB-CG 4.23Å; A35-L102 HydrophobicContact CB-CD1 3.95Å; A35-T118 CarbonylContact O-C 3.59Å; A35-T118 WeakPolarHBondContact O-CA 3.33Å; A35-W119 HydrophobicContact CB-CB 4.48Å; A35-W119 PolarHBondContact N-O 3.16Å; A35-W119 PolarHBondContact O-N 2.88Å
36	M	98.3	Very high	96.5	Very high	61 Å²	61	50.2 Å²	50.2	30%	0.3	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.5	-178.9	-66	162.3	-75.9	0	0	109.6	T34 P44 R45 I47 H117 T118	T34-M36 HydrophobicContact CG2-CE 4.2Å; T34-M36 HydrophobicContact CG2-CG 4.04Å; T34-M36 HydrophobicContact CG2-SD 4.31Å; M36-P44 CarbonylContact O-C 3.53Å; M36-P44 WeakPolarHBondContact O-CA 3.33Å; M36-P44 WeakPolarHBondContact O-CB 3.25Å; M36-R45 PolarHBondContact N-O 3.42Å; M36-R45 PolarHBondContact O-N 2.9Å; M36-I47 HydrophobicContact CE-CD1 3.9Å; M36-I47 HydrophobicContact CE-CG1 4.46Å; M36-H117 WeakPolarHBondContact CA-O 3.36Å; M36-T118 HydrophobicContact CG-CG2 4.14Å
37	S	97.6	Very high	96.8	Very high	13 Å²	13	48.8 Å²	48.8	9%	0.091	26%	0.262	C	S	.	.			trans	-71.4	145.1	172.7	76.9	0	0	0	0	110.5	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.38Å; S37-S116 PolarHBondContact O-OG 3.46Å; S37-H117 PolarHBondContact N-O 3.4Å; S37-H117 PolarHBondContact OG-N 2.78Å; S37-H117 PolarHBondContact OG-O 3.3Å
38	R	95.7	Very high	97	Very high	74 Å²	74	47.6 Å²	47.6	28%	0.279	26%	0.258	S	S	.	.			trans	-138	72.7	-179.4	53.2	174.8	176.2	-159.9	-8.8	110.8	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.92Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.41Å; R38-R41 HydrophobicContact CG-CB 4.22Å; R38-R41 PolarHBondContact NE-O 3.27Å; R38-R41 PolarHBondContact O-N 3.45Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.94Å; R38-E43 PolarHBondContact NH2-O 2.92Å; R38-D63 IonicContact CZ-OD1 2.7Å; R38-D63 IonicContact CZ-OD2 3.81Å; R38-D63 IonicContact NH1-OD1 3.67Å; R38-D63 PolarHBondContact NH1-OD1 3.22Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 3.49Å; R38-D63 IonicContact NH2-OD1 3.83Å; R38-D63 PolarHBondContact NH2-OD1 2.92Å; R38-D63 IonicContact NH2-OD2 3.75Å
39	P	92.4	Very high	97	Very high	55 Å²	55	47.9 Å²	47.9	36%	0.357	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	131.4	-176.3	-26.6	34.3	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.78Å; P39-E113 WeakPolarHBondContact CB-O 3.5Å; P39-E113 WeakPolarHBondContact CG-O 3.5Å; P39-G115 WeakPolarHBondContact CG-O 3.29Å
40	G	91.6	Very high	97	Very high	89 Å²	89	47.9 Å²	47.9	92%	0.918	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	2	-177.8	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 2.92Å
41	R	93.2	Very high	97	Very high	207 Å²	207	48.7 Å²	48.7	78%	0.781	26%	0.262	S	S	*	.	S	Bend	trans	-123.7	22.2	179.6	-59	-175.2	179.7	-177.6	0.5	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.41Å; R38-R41 HydrophobicContact CG-CB 4.22Å; R38-R41 PolarHBondContact NE-O 3.27Å; R38-R41 PolarHBondContact O-N 3.45Å; P39-R41 PolarHBondContact O-N 2.78Å
42	G	92	Very high	97	Very high	57 Å²	57	48 Å²	48	59%	0.588	26%	0.259	S	S	*	.	S	Bend	trans	99.4	-164.7	178.6	0	0	0	0	0	113.9
43	E	95.1	Very high	96.9	Very high	85 Å²	85	45.6 Å²	45.6	40%	0.397	25%	0.25	S	S	.	.	S	Bend	trans	-69.4	154.3	-178.3	-69.2	-66.3	170.9	0	0	112.3	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.94Å; R38-E43 PolarHBondContact NH2-O 2.92Å; E43-R45 PolarHBondContact O-N 3.4Å; E43-R99 VanDerWaalsContact CG-NH2 3.32Å; E43-R99 IonicContact OE1-CZ 3.94Å; E43-R99 IonicContact OE1-NH1 3.53Å; E43-R99 VanDerWaalsContact OE2-CD 3.23Å; E43-R99 WeakPolarHBondContact OE2-CD 3.46Å; E43-R99 IonicContact OE2-CZ 2.75Å; E43-R99 IonicContact OE2-NE 3.28Å; E43-R99 PolarHBondContact OE2-NE 3.5Å; E43-R99 IonicContact OE2-NH1 3.48Å; E43-R99 PolarHBondContact OE2-NH1 3.02Å; E43-R99 IonicContact OE2-NH2 3.58Å; E43-R99 PolarHBondContact OE2-NH2 3.35Å
44	P	97	Very high	96.8	Very high	22 Å²	22	48.3 Å²	48.3	14%	0.143	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-53.1	135.3	175.1	-26	34.9	0	0	0	112.2	M36 R99 L102	M36-P44 CarbonylContact O-C 3.53Å; M36-P44 WeakPolarHBondContact O-CA 3.33Å; M36-P44 WeakPolarHBondContact O-CB 3.25Å; P44-R99 HydrophobicContact CG-CB 4.47Å; P44-R99 HydrophobicContact CG-CG 4.16Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.89Å
45	R	98.1	Very high	96.7	Very high	79 Å²	79	47.3 Å²	47.3	30%	0.298	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.3	174.2	-176.4	-176.1	-175.6	178.1	-0.9	108.8	A35 M36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.55Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.43Å; M36-R45 PolarHBondContact N-O 3.42Å; M36-R45 PolarHBondContact O-N 2.9Å; E43-R45 PolarHBondContact O-N 3.4Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; R45-D61 IonicContact CZ-OD1 3.1Å; R45-D61 IonicContact CZ-OD2 3.53Å; R45-D61 IonicContact NE-OD1 2.76Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 3.06Å; R45-D61 IonicContact NH2-OD1 3.66Å; R45-D61 PolarHBondContact NH2-OD1 3.35Å; R45-D61 IonicContact NH2-OD2 3.35Å; R45-D61 PolarHBondContact NH2-OD2 3.17Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 3.63Å
46	F	98.6	Very high	96.7	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.3	171.5	-179.3	-98.8	0	0	0	110.8	Y33 T34 A35 A48 F60 S62 N94 T95 Y98	Y33-F46 HydrophobicContact CD1-CZ 4.29Å; Y33-F46 HydrophobicContact CD2-CE2 4.38Å; Y33-F46 HydrophobicContact CD2-CZ 4Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.86Å; Y33-F46 HydrophobicContact CG-CZ 3.86Å; T34-F46 CarbonylContact O-C 3.57Å; T34-F46 WeakPolarHBondContact O-CA 3.2Å; A35-F46 HydrophobicContact CB-CD2 4.27Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; F46-F60 AromaticContact CD1-CD1 3.8Å; F46-F60 HydrophobicContact CD1-CD1 3.8Å; F46-F60 AromaticContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 4.05Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; F46-S62 PolarHBondContact N-OG 3.43Å; F46-S62 WeakPolarHBondContact O-CB 3.11Å; F46-S62 PolarHBondContact O-N 3.48Å; F46-S62 PolarHBondContact O-OG 2.63Å; F46-N94 HydrophobicContact CE1-CB 4.18Å; F46-N94 HydrophobicContact CE2-CB 4.08Å; F46-N94 HydrophobicContact CZ-CB 3.62Å; F46-T95 HydrophobicContact CB-CG2 3.94Å; F46-T95 VanDerWaalsContact CD1-OG1 3.25Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.11Å; F46-Y98 HydrophobicContact CD2-CD1 4.18Å; F46-Y98 HydrophobicContact CD2-CG 4.06Å; F46-Y98 AromaticContact CE2-CD1 3.89Å; F46-Y98 HydrophobicContact CE2-CD1 3.89Å; F46-Y98 HydrophobicContact CE2-CD2 4.03Å; F46-Y98 HydrophobicContact CE2-CE1 4.17Å; F46-Y98 HydrophobicContact CE2-CE2 4.3Å; F46-Y98 AromaticContact CE2-CG 3.84Å; F46-Y98 HydrophobicContact CE2-CG 3.84Å
47	I	98.8	Very high	96.7	Very high	35 Å²	35	46.9 Å²	46.9	18%	0.179	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.8	173.4	-58.1	174.9	0	0	0	107.6	Y33 T34 M36 R45 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.38Å; T34-I47 PolarHBondContact N-O 3.05Å; T34-I47 PolarHBondContact O-N 2.94Å; M36-I47 HydrophobicContact CE-CD1 3.9Å; M36-I47 HydrophobicContact CE-CG1 4.46Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å
48	A	98.8	Very high	96.7	Very high	6 Å²	6	46.6 Å²	46.6	5%	0.05	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.1	172.8	0	0	0	0	0	110	F32 Y33 F46 R59 F60	F32-A48 WeakPolarHBondContact O-CA 3.34Å; Y33-A48 HydrophobicContact CD1-CB 3.27Å; Y33-A48 HydrophobicContact CE1-CB 3.35Å; Y33-A48 HydrophobicContact CG-CB 4.22Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; A48-R59 CarbonylContact O-C 3.54Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.32Å; A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 PolarHBondContact N-O 2.88Å; A48-F60 PolarHBondContact O-N 2.8Å
49	V	98.9	Very high	96.9	Very high	29 Å²	29	47.1 Å²	47.1	18%	0.176	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.9	174.2	-62.6	0	0	0	0	109.9	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.44Å; F32-V49 HydrophobicContact CB-CG2 3.82Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.47Å; F32-V49 PolarHBondContact O-N 2.88Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.33Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.24Å
50	G	98.7	Very high	97.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.5	176.5	0	0	0	0	0	110.7	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; G50-Q56 WeakPolarHBondContact O-CA 3.34Å; G50-Q56 WeakPolarHBondContact O-CG 3.5Å; G50-F57 WeakPolarHBondContact O-CD1 3.28Å; G50-F57 PolarHBondContact O-N 3.26Å; G50-V58 PolarHBondContact N-O 2.9Å; G50-V58 VanDerWaalsContact N-O 3.09Å; G50-V58 PolarHBondContact O-N 3.35Å
51	Y	98.7	Very high	97.5	Very high	71 Å²	71	41.4 Å²	41.4	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.6	178.8	-76.8	-102.4	0	0	0	110.6	M29 R30 F32 V49 T55 Q56 F57	M29-Y51 CarbonylContact C-O 3.51Å; M29-Y51 WeakPolarHBondContact CA-O 3.18Å; R30-Y51 PolarHBondContact N-O 2.93Å; R30-Y51 PolarHBondContact O-N 3.27Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.33Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; Y51-T55 WeakPolarHBondContact CA-O 3.45Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CB 4.5Å; Y51-Q56 HydrophobicContact CD2-CG 4.32Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Y51-F57 VanDerWaalsContact N-CE1 3.33Å
52	V	98.4	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.7	156.5	177.2	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 H195 L196 L203	S28-V52 CarbonylContact O-C 3.48Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; V52-D54 PolarHBondContact O-N 3.02Å; V52-T55 PolarHBondContact N-O 2.94Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.39Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CB-CH2 4.42Å; V52-W75 HydrophobicContact CB-CZ2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-H195 HydrophobicContact CG2-CB 4.06Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	96.6	Very high	98	Very high	31 Å²	31	33.4 Å²	33.4	17%	0.166	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-124.6	-166.2	-51	-39.8	0	0	0	110.5	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 2.8Å; H27-D53 IonicContact CG-OD2 2.89Å; H27-D53 IonicContact ND1-OD1 2.93Å; H27-D53 IonicContact ND1-OD2 3.33Å; H27-D53 PolarHBondContact ND1-OD2 3.41Å; S28-D53 PolarHBondContact N-OD1 3.45Å; S28-D53 PolarHBondContact O-N 3.44Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	96.6	Very high	98.1	Very high	63 Å²	63	31 Å²	31	34%	0.337	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	9.7	178.4	-62.4	-53.2	0	0	0	113.7	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.02Å; D54-Y233 HydrophobicContact CB-CE2 3.91Å; D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 HydrophobicContact CB-CB 4.37Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 2.98Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	97.1	Very high	98.1	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.08	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112	-177.2	-57.5	0	0	0	0	111.4	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.45Å; V52-T55 PolarHBondContact N-O 2.94Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.39Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.19Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 2.85Å; T55-R263 PolarHBondContact OG1-NE 3.31Å
56	Q	97.9	Very high	98	Very high	53 Å²	53	35.1 Å²	35.1	25%	0.248	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.6	173.3	-166.3	179.8	-0	0	0	110.5	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; G50-Q56 WeakPolarHBondContact O-CA 3.34Å; G50-Q56 WeakPolarHBondContact O-CG 3.5Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CB 4.5Å; Y51-Q56 HydrophobicContact CD2-CG 4.32Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 3.37Å; Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	98.3	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-23.3	-179.5	74.2	-84	0	0	0	114.6	M29 Y31 G50 Y51 V52 T55 R72 A73 W75 I76 H195	M29-F57 HydrophobicContact CG-CE1 4.33Å; M29-F57 HydrophobicContact CG-CZ 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.17Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.36Å; G50-F57 WeakPolarHBondContact O-CD1 3.28Å; G50-F57 PolarHBondContact O-N 3.26Å; Y51-F57 VanDerWaalsContact N-CE1 3.33Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 3.19Å; F57-R72 PolarHBondContact O-N 3.38Å; F57-A73 HydrophobicContact CB-CB 4.12Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.02Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.11Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; F57-I76 HydrophobicContact CD2-CB 4.47Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.35Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.49Å; F57-H195 AromaticContact CE2-NE2 3.72Å
58	V	98.6	Very high	97.9	Very high	8 Å²	8	42 Å²	42	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.5	175.2	-72.3	0	0	0	0	112.6	Y31 V49 G50 Q56 T69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 4.07Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; G50-V58 PolarHBondContact N-O 2.9Å; G50-V58 VanDerWaalsContact N-O 3.09Å; G50-V58 PolarHBondContact O-N 3.35Å; Q56-V58 PolarHBondContact NE2-O 3.37Å; V58-T69 HydrophobicContact CB-CG2 3.91Å; V58-T69 HydrophobicContact CG1-CG2 4.01Å; V58-E70 WeakPolarHBondContact CA-O 3.49Å; V58-I76 HydrophobicContact CG1-CG1 4.4Å; V58-W84 HydrophobicContact CG1-CH2 4.23Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å
59	R	98.6	Very high	97.9	Very high	85 Å²	85	42.3 Å²	42.3	32%	0.321	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	143.1	171.4	178.7	174.2	170.6	158.2	-0.8	111	A48 V49 D61 T69 E70 R72	A48-R59 CarbonylContact O-C 3.54Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.32Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.24Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 3.17Å; R59-D61 VanDerWaalsContact NH2-OD2 3.15Å; R59-T69 WeakPolarHBondContact O-CA 3.36Å; R59-E70 PolarHBondContact N-O 3.45Å; R59-E70 PolarHBondContact O-N 3.08Å; R59-R72 HydrophobicContact CB-CG 3.87Å
60	F	98.8	Very high	97.9	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.2	165.2	175.9	-83.5	0	0	0	109.5	F46 I47 A48 P67 S91 K92	F46-F60 AromaticContact CD1-CD1 3.8Å; F46-F60 HydrophobicContact CD1-CD1 3.8Å; F46-F60 AromaticContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 4.05Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å; A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 PolarHBondContact N-O 2.88Å; A48-F60 PolarHBondContact O-N 2.8Å; F60-P67 HydrophobicContact CE2-CB 3.82Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; F60-S91 VanDerWaalsContact CG-CB 3.44Å; F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.11Å
61	D	98.7	Very high	97.9	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.107	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	116.7	176.5	-161.5	-26.5	0	0	0	109.7	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.1Å; R45-D61 IonicContact CZ-OD2 3.53Å; R45-D61 IonicContact NE-OD1 2.76Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 3.06Å; R45-D61 IonicContact NH2-OD1 3.66Å; R45-D61 PolarHBondContact NH2-OD1 3.35Å; R45-D61 IonicContact NH2-OD2 3.35Å; R45-D61 PolarHBondContact NH2-OD2 3.17Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 3.17Å; R59-D61 VanDerWaalsContact NH2-OD2 3.15Å; D61-D63 PolarHBondContact O-N 3.18Å; D61-D63 PolarHBondContact OD1-N 2.95Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 VanDerWaalsContact O-CB 3.29Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 2.89Å; D61-A64 VanDerWaalsContact O-N 3.13Å
62	S	98.3	Very high	97.8	Very high	26 Å²	26	49.3 Å²	49.3	18%	0.182	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.5	-179.9	58	0	0	0	0	114	F46 A64 P67	F46-S62 PolarHBondContact N-OG 3.43Å; F46-S62 WeakPolarHBondContact O-CB 3.11Å; F46-S62 PolarHBondContact O-N 3.48Å; F46-S62 PolarHBondContact O-OG 2.63Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å
63	D	97.6	Very high	97.7	Very high	70 Å²	70	49.6 Å²	49.6	37%	0.374	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.9	176.9	-83.2	-1.6	0	0	0	112.9	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.7Å; R38-D63 IonicContact CZ-OD2 3.81Å; R38-D63 IonicContact NH1-OD1 3.67Å; R38-D63 PolarHBondContact NH1-OD1 3.22Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 3.49Å; R38-D63 IonicContact NH2-OD1 3.83Å; R38-D63 PolarHBondContact NH2-OD1 2.92Å; R38-D63 IonicContact NH2-OD2 3.75Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 3.63Å; D61-D63 PolarHBondContact O-N 3.18Å; D61-D63 PolarHBondContact OD1-N 2.95Å
64	A	97.4	Very high	97.8	Very high	34 Å²	34	53.1 Å²	53.1	28%	0.281	29%	0.294	S	S	.	.	S	Bend	trans	-63	150	174.5	0	0	0	0	0	111.1	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 VanDerWaalsContact O-CB 3.29Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 2.89Å; D61-A64 VanDerWaalsContact O-N 3.13Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.35Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.47Å
65	A	96.9	Very high	97.8	Very high	117 Å²	117	51 Å²	51	97%	0.967	28%	0.282	S	S	*	.	S	Bend	trans	-59.4	-32.2	-179.9	0	0	0	0	0	113
66	S	96.4	Very high	97.8	Very high	71 Å²	71	50.3 Å²	50.3	50%	0.497	28%	0.278	S	S	.	.	S	Bend	trans	-134.6	86.1	171.7	170.1	0	0	0	0	108.9	A64 R68	A64-S66 PolarHBondContact O-N 3.35Å; S66-R68 PolarHBondContact O-N 3.01Å
67	P	97.3	Very high	97.7	Very high	35 Å²	35	53.8 Å²	53.8	23%	0.227	29%	0.294	C	S	.	.			trans	-60	113.4	-174.4	-24.8	35.4	0	0	0	112.1	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.82Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.47Å; P67-K92 VanDerWaalsContact O-CE 3.25Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å
68	R	98.1	Very high	97.6	Very high	147 Å²	147	59.4 Å²	59.4	56%	0.555	32%	0.32	S	S	*	.			trans	-143.2	155.7	176.7	-69.3	-171.2	171.7	172	-4.7	109.4	S66 T88	S66-R68 PolarHBondContact O-N 3.01Å; R68-T88 HydrophobicContact CB-CG2 4.37Å; R68-T88 HydrophobicContact CG-CG2 4.14Å
69	T	98.5	Very high	97.6	Very high	12 Å²	12	59.6 Å²	59.6	7%	0.074	32%	0.32	C	S	.	.			trans	-73.8	126.7	169.7	-57.3	0	0	0	0	108	V58 R59 W84 E87 T88 S91	V58-T69 HydrophobicContact CB-CG2 3.91Å; V58-T69 HydrophobicContact CG1-CG2 4.01Å; R59-T69 WeakPolarHBondContact O-CA 3.36Å; T69-W84 HydrophobicContact CG2-CE3 4.34Å; T69-W84 HydrophobicContact CG2-CZ3 4.14Å; T69-E87 HydrophobicContact CG2-CB 4.15Å; T69-E87 PolarHBondContact OG1-O 2.94Å; T69-T88 PolarHBondContact N-OG1 3.34Å; T69-T88 PolarHBondContact OG1-N 3.04Å; T69-S91 PolarHBondContact OG1-OG 3.3Å
70	E	98.3	Very high	97.5	Very high	80 Å²	80	57 Å²	57	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.3	-174.6	-64.2	173.8	159.6	0	0	110.4	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.49Å; R59-E70 PolarHBondContact N-O 3.45Å; R59-E70 PolarHBondContact O-N 3.08Å; E70-R72 IonicContact OE2-CZ 3.09Å; E70-R72 IonicContact OE2-NH2 2.62Å; E70-R72 PolarHBondContact OE2-NH2 2.93Å
71	P	98.3	Very high	97.4	Very high	50 Å²	50	61.5 Å²	61.5	33%	0.325	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	145.3	173.3	28.4	-34.3	0	0	0	111.1	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.66Å; P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.04Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.05Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.45Å
72	R	97.8	Very high	97.4	Very high	116 Å²	116	68.6 Å²	68.6	44%	0.438	38%	0.383	S	S	.	.			trans	-128.2	-0.2	174.4	-60.5	-64.2	170.6	-176.9	-0.8	113.3	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 3.38Å; R59-R72 HydrophobicContact CB-CG 3.87Å; E70-R72 IonicContact OE2-CZ 3.09Å; E70-R72 IonicContact OE2-NH2 2.62Å; E70-R72 PolarHBondContact OE2-NH2 2.93Å
73	A	96.6	Very high	97.4	Very high	6 Å²	6	68.2 Å²	68.2	5%	0.05	38%	0.378	C	S	.	.	S	Bend	trans	-137.7	144.9	172.8	0	0	0	0	0	110.8	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.12Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 2.78Å; A73-I76 WeakPolarHBondContact O-CG2 3.47Å; A73-I76 PolarHBondContact O-N 2.73Å
74	P	96.9	Very high	97.4	Very high	105 Å²	105	66.9 Å²	66.9	68%	0.682	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-59.3	-37	-177.5	-26.3	34.9	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 2.67Å; P74-E77 WeakPolarHBondContact O-CB 3.18Å; P74-E77 PolarHBondContact O-N 2.8Å; P74-E77 VanDerWaalsContact O-N 3.14Å
75	W	96.6	Very high	97.4	Very high	18 Å²	18	70.1 Å²	70.1	7%	0.068	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-70.6	-14	-175.9	53.1	-106.2	0	0	0	114.3	V52 F57 A73 Q78 H195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.42Å; V52-W75 HydrophobicContact CB-CZ2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.02Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.11Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 2.78Å; W75-Q78 WeakPolarHBondContact O-CG 3.49Å; W75-Q78 PolarHBondContact O-NE2 2.7Å; W75-H195 HydrophobicContact CE3-CB 4.39Å; W75-H195 HydrophobicContact CH2-CB 4.03Å; W75-H195 HydrophobicContact CZ3-CB 3.65Å; W75-H195 AromaticContact CZ3-CG 3.62Å; W75-H195 AromaticContact CZ3-ND1 3.78Å; W75-N198 WeakPolarHBondContact CB-O 3.48Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.36Å
76	I	97.9	Very high	97.5	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-89	-19.5	173.7	-163.3	71.7	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 H195	F57-I76 HydrophobicContact CD2-CB 4.47Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.35Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.49Å; V58-I76 HydrophobicContact CG1-CG1 4.4Å; P71-I76 HydrophobicContact CB-CG2 3.66Å; A73-I76 WeakPolarHBondContact O-CG2 3.47Å; A73-I76 PolarHBondContact O-N 2.73Å; P74-I76 PolarHBondContact O-N 2.67Å; I76-Q78 PolarHBondContact O-N 2.7Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.45Å; I76-E79 WeakPolarHBondContact O-CG 3.45Å; I76-E79 PolarHBondContact O-N 2.91Å; I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.19Å; I76-W84 HydrophobicContact CB-CH2 4.45Å; I76-W84 HydrophobicContact CG1-CH2 3.77Å; I76-W84 HydrophobicContact CG1-CZ2 4.11Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.46Å; I76-W84 WeakPolarHBondContact O-CZ2 3.42Å; I76-H195 WeakPolarHBondContact CD1-CE1 3.44Å
77	E	96.9	Very high	97.6	Very high	126 Å²	126	69.2 Å²	69.2	59%	0.589	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.1	-176.6	-64.5	-179.2	-175.2	0	0	113.4	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.04Å; P74-E77 WeakPolarHBondContact O-CB 3.18Å; P74-E77 PolarHBondContact O-N 2.8Å; P74-E77 VanDerWaalsContact O-N 3.14Å; E77-E79 PolarHBondContact O-N 2.95Å
78	Q	95.8	Very high	97.6	Very high	117 Å²	117	68 Å²	68	55%	0.547	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.4	175.1	68.4	-173.5	-34.8	0	0	114.1	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.49Å; W75-Q78 PolarHBondContact O-NE2 2.7Å; I76-Q78 PolarHBondContact O-N 2.7Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; Q78-N198 PolarHBondContact NE2-ND2 3.37Å
79	E	97.5	Very high	97.7	Very high	12 Å²	12	66.4 Å²	66.4	6%	0.056	33%	0.332	C	S	.	.	S	Bend	trans	-65	138.6	176.6	-65.6	-61.4	165.1	0	0	110.9	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.45Å; I76-E79 WeakPolarHBondContact O-CG 3.45Å; I76-E79 PolarHBondContact O-N 2.91Å; E77-E79 PolarHBondContact O-N 2.95Å; E79-Y83 HydrophobicContact CB-CD1 3.65Å; E79-Y83 HydrophobicContact CB-CE1 4.3Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.35Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 HydrophobicContact CB-CZ2 4.44Å; E79-W84 PolarHBondContact O-NE1 2.72Å; E79-R194 IonicContact OE1-CZ 2.99Å; E79-R194 IonicContact OE1-NE 3.15Å; E79-R194 PolarHBondContact OE1-NE 3.17Å; E79-R194 IonicContact OE1-NH2 3.38Å; E79-R194 PolarHBondContact OE1-NH2 3.06Å; E79-R194 IonicContact OE2-CZ 3.82Å; E79-R194 IonicContact OE2-NE 3.76Å; E79-R194 IonicContact OE2-NH2 3.73Å; E79-R194 PolarHBondContact OE2-NH2 2.8Å; E79-N198 PolarHBondContact OE1-ND2 3.06Å
80	G	96.9	Very high	97.6	Very high	32 Å²	32	68.6 Å²	68.6	33%	0.33	34%	0.343	S	S	.	.			trans	-70.7	168.5	-175.4	0	0	0	0	0	113.8	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.43Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.19Å; G80-Y83 PolarHBondContact O-N 3.31Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å
81	P	97.6	Very high	97.6	Very high	98 Å²	98	65 Å²	65	64%	0.636	33%	0.327	S	S	*	.	H	α-helix	trans	-57.5	-32.7	-179.1	23.2	-33.8	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.93Å; P81-W84 PolarHBondContact O-N 2.89Å; P81-D85 WeakPolarHBondContact O-CB 3.48Å; P81-D85 PolarHBondContact O-N 2.62Å
82	E	97.8	Very high	97.6	Very high	169 Å²	169	66.9 Å²	66.9	79%	0.79	33%	0.33	S	S	*	.	H	α-helix	trans	-60.5	-36.6	177.7	-63.1	-178.5	-179.8	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 3.43Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-R86 WeakPolarHBondContact O-CB 3.23Å; E82-R86 PolarHBondContact O-N 2.8Å
83	Y	97.7	Very high	97.6	Very high	18 Å²	18	64.7 Å²	64.7	7%	0.071	33%	0.33	C	S	.	.	H	α-helix	trans	-64.2	-52.4	174.6	172.8	-94.3	0	0	0	110.1	I76 E79 G80 P81 D85 R86 E87 W191	I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.19Å; E79-Y83 HydrophobicContact CB-CD1 3.65Å; E79-Y83 HydrophobicContact CB-CE1 4.3Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.35Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.19Å; G80-Y83 PolarHBondContact O-N 3.31Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.93Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.85Å; Y83-R86 PolarHBondContact O-N 3.14Å; Y83-E87 HydrophobicContact CD1-CG 4.32Å; Y83-E87 HydrophobicContact CD2-CG 4.17Å; Y83-E87 HydrophobicContact CE1-CG 3.97Å; Y83-E87 HydrophobicContact CE2-CG 3.83Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CB 3.32Å; Y83-E87 WeakPolarHBondContact O-CG 3.31Å; Y83-E87 PolarHBondContact O-N 3.35Å; Y83-W191 AromaticContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CH2 3.5Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CZ2 4.08Å; Y83-W191 AromaticContact CD2-CZ3 3.92Å; Y83-W191 HydrophobicContact CD2-CZ3 3.92Å; Y83-W191 HydrophobicContact CE2-CE3 4.35Å; Y83-W191 AromaticContact CE2-CH2 3.79Å; Y83-W191 HydrophobicContact CE2-CH2 3.79Å; Y83-W191 HydrophobicContact CE2-CZ2 4.29Å; Y83-W191 AromaticContact CE2-CZ3 3.82Å; Y83-W191 HydrophobicContact CE2-CZ3 3.82Å
84	W	98.4	Very high	97.7	Very high	41 Å²	41	66 Å²	66	16%	0.155	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-39.6	-177.4	-63	112.9	0	0	0	113	V58 T69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.23Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å; T69-W84 HydrophobicContact CG2-CE3 4.34Å; T69-W84 HydrophobicContact CG2-CZ3 4.14Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.05Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.45Å; I76-W84 HydrophobicContact CB-CH2 4.45Å; I76-W84 HydrophobicContact CG1-CH2 3.77Å; I76-W84 HydrophobicContact CG1-CZ2 4.11Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.46Å; I76-W84 WeakPolarHBondContact O-CZ2 3.42Å; E79-W84 HydrophobicContact CB-CZ2 4.44Å; E79-W84 PolarHBondContact O-NE1 2.72Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; P81-W84 PolarHBondContact O-N 2.89Å; W84-T88 WeakPolarHBondContact O-CB 3.48Å; W84-T88 PolarHBondContact O-N 3.17Å; W84-T88 PolarHBondContact O-OG1 2.93Å
85	D	98.3	Very high	97.7	Very high	103 Å²	103	61.7 Å²	61.7	55%	0.551	31%	0.308	S	S	*	.	H	α-helix	trans	-66.8	-43.5	176.4	-76.1	-22.1	0	0	0	111.3	P81 Y83 Q89	P81-D85 WeakPolarHBondContact O-CB 3.48Å; P81-D85 PolarHBondContact O-N 2.62Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.85Å; D85-Q89 WeakPolarHBondContact O-CB 3.43Å; D85-Q89 PolarHBondContact O-N 2.94Å
86	R	97.9	Very high	97.8	Very high	144 Å²	144	65.8 Å²	65.8	54%	0.543	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-51.4	176.5	-178.8	178.1	178.6	177.7	-1	111.8	E82 Y83 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.23Å; E82-R86 PolarHBondContact O-N 2.8Å; Y83-R86 PolarHBondContact O-N 3.14Å; R86-T88 VanDerWaalsContact C-N 3.3Å; R86-T88 PolarHBondContact O-N 3.03Å; R86-Q89 PolarHBondContact O-N 3.46Å; R86-Q89 VanDerWaalsContact O-N 3.12Å; R86-I90 HydrophobicContact CG-CD1 3.96Å; R86-I90 WeakPolarHBondContact O-CG1 3.25Å; R86-I90 PolarHBondContact O-N 3.11Å
87	E	98.1	Very high	97.7	Very high	25 Å²	25	68.7 Å²	68.7	12%	0.117	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-35.9	-179.3	-68.8	-50	125.1	0	0	112.1	T69 Y83 I90 S91	T69-E87 HydrophobicContact CG2-CB 4.15Å; T69-E87 PolarHBondContact OG1-O 2.94Å; Y83-E87 HydrophobicContact CD1-CG 4.32Å; Y83-E87 HydrophobicContact CD2-CG 4.17Å; Y83-E87 HydrophobicContact CE1-CG 3.97Å; Y83-E87 HydrophobicContact CE2-CG 3.83Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CB 3.32Å; Y83-E87 WeakPolarHBondContact O-CG 3.31Å; Y83-E87 PolarHBondContact O-N 3.35Å; E87-I90 PolarHBondContact O-N 2.83Å; E87-S91 WeakPolarHBondContact O-CB 3.48Å; E87-S91 PolarHBondContact O-N 2.88Å; E87-S91 PolarHBondContact O-OG 3.22Å
88	T	98.6	Very high	97.8	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.055	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-44.4	172.4	-67.8	0	0	0	0	111	R68 T69 W84 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.37Å; R68-T88 HydrophobicContact CG-CG2 4.14Å; T69-T88 PolarHBondContact N-OG1 3.34Å; T69-T88 PolarHBondContact OG1-N 3.04Å; W84-T88 WeakPolarHBondContact O-CB 3.48Å; W84-T88 PolarHBondContact O-N 3.17Å; W84-T88 PolarHBondContact O-OG1 2.93Å; R86-T88 VanDerWaalsContact C-N 3.3Å; R86-T88 PolarHBondContact O-N 3.03Å; T88-S91 PolarHBondContact O-N 3.23Å; T88-K92 HydrophobicContact CG2-CD 4.1Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 3.24Å
89	Q	98.4	Very high	97.8	Very high	114 Å²	114	59.8 Å²	59.8	53%	0.533	30%	0.301	S	S	.	.	H	α-helix	trans	-67.7	-38.3	-179.6	-173.4	58.8	22.9	0	0	112	D85 R86 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.43Å; D85-Q89 PolarHBondContact O-N 2.94Å; R86-Q89 PolarHBondContact O-N 3.46Å; R86-Q89 VanDerWaalsContact O-N 3.12Å; Q89-K92 PolarHBondContact O-N 2.86Å; Q89-T93 WeakPolarHBondContact O-CB 3.33Å; Q89-T93 PolarHBondContact O-N 2.87Å; Q89-T93 PolarHBondContact O-OG1 3.02Å
90	I	97.6	Very high	97.8	Very high	58 Å²	58	62.6 Å²	62.6	30%	0.297	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-48.7	172	-69.8	167.1	0	0	0	109.9	R86 E87 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 3.96Å; R86-I90 WeakPolarHBondContact O-CG1 3.25Å; R86-I90 PolarHBondContact O-N 3.11Å; E87-I90 PolarHBondContact O-N 2.83Å; I90-K92 PolarHBondContact O-N 3Å; I90-T93 WeakPolarHBondContact O-CB 3.39Å; I90-T93 PolarHBondContact O-N 2.89Å; I90-N94 PolarHBondContact O-N 2.8Å; I90-N94 PolarHBondContact O-ND2 2.67Å
91	S	98.3	Very high	97.9	Very high	4 Å²	4	62.8 Å²	62.8	3%	0.028	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-39.3	179.5	-61.7	0	0	0	0	113.1	F60 T69 E87 T88 N94 T95	F60-S91 VanDerWaalsContact CG-CB 3.44Å; T69-S91 PolarHBondContact OG1-OG 3.3Å; E87-S91 WeakPolarHBondContact O-CB 3.48Å; E87-S91 PolarHBondContact O-N 2.88Å; E87-S91 PolarHBondContact O-OG 3.22Å; T88-S91 PolarHBondContact O-N 3.23Å; S91-N94 PolarHBondContact O-N 3.33Å; S91-T95 PolarHBondContact O-N 2.87Å; S91-T95 PolarHBondContact O-OG1 2.83Å
92	K	98	Very high	97.9	Very high	89 Å²	89	58.3 Å²	58.3	39%	0.387	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-39.5	174	-75.3	176.9	178	177.1	0	112.4	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.11Å; P67-K92 VanDerWaalsContact O-CE 3.25Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å; T88-K92 HydrophobicContact CG2-CD 4.1Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 3.24Å; Q89-K92 PolarHBondContact O-N 2.86Å; I90-K92 PolarHBondContact O-N 3Å; K92-T95 WeakPolarHBondContact O-CB 3.22Å; K92-T95 PolarHBondContact O-N 2.85Å; K92-Q96 PolarHBondContact O-N 2.91Å
93	T	98.2	Very high	97.8	Very high	71 Å²	71	55.7 Å²	55.7	44%	0.436	26%	0.261	S	S	.	.	H	α-helix	trans	-63.7	-47.1	174.9	-56.5	0	0	0	0	110.2	Q89 I90 T95 Q96 T97	Q89-T93 WeakPolarHBondContact O-CB 3.33Å; Q89-T93 PolarHBondContact O-N 2.87Å; Q89-T93 PolarHBondContact O-OG1 3.02Å; I90-T93 WeakPolarHBondContact O-CB 3.39Å; I90-T93 PolarHBondContact O-N 2.89Å; T93-T95 VanDerWaalsContact C-N 3.28Å; T93-T95 PolarHBondContact O-N 2.81Å; T93-Q96 PolarHBondContact O-N 2.82Å; T93-T97 PolarHBondContact O-N 2.98Å; T93-T97 PolarHBondContact O-OG1 2.03Å
94	N	97.9	Very high	97.8	Very high	32 Å²	32	56.8 Å²	56.8	17%	0.171	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-34.9	176.4	-75.2	-28.4	0	0	0	112.8	Y33 F46 I90 S91 Q96 T97 Y98	Y33-N94 VanDerWaalsContact CE2-ND2 3.33Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.45Å; F46-N94 HydrophobicContact CE1-CB 4.18Å; F46-N94 HydrophobicContact CE2-CB 4.08Å; F46-N94 HydrophobicContact CZ-CB 3.62Å; I90-N94 PolarHBondContact O-N 2.8Å; I90-N94 PolarHBondContact O-ND2 2.67Å; S91-N94 PolarHBondContact O-N 3.33Å; N94-Q96 PolarHBondContact O-N 3.05Å; N94-T97 PolarHBondContact O-N 3.07Å; N94-Y98 HydrophobicContact CB-CD2 4.28Å; N94-Y98 HydrophobicContact CB-CE2 4.28Å; N94-Y98 WeakPolarHBondContact O-CB 2.94Å; N94-Y98 WeakPolarHBondContact O-CD2 3.03Å; N94-Y98 PolarHBondContact O-N 2.86Å
95	T	97.8	Very high	97.7	Very high	16 Å²	16	54.9 Å²	54.9	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-56.3	-39	173.3	-59	0	0	0	0	111.7	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.94Å; F46-T95 VanDerWaalsContact CD1-OG1 3.25Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.11Å; S91-T95 PolarHBondContact O-N 2.87Å; S91-T95 PolarHBondContact O-OG1 2.83Å; K92-T95 WeakPolarHBondContact O-CB 3.22Å; K92-T95 PolarHBondContact O-N 2.85Å; T93-T95 VanDerWaalsContact C-N 3.28Å; T93-T95 PolarHBondContact O-N 2.81Å; T95-R99 PolarHBondContact O-N 2.79Å
96	Q	97.5	Very high	97.7	Very high	103 Å²	103	51.3 Å²	51.3	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-76.3	-43.6	176.5	-59.3	-54.6	-43.4	0	0	112.1	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 2.91Å; T93-Q96 PolarHBondContact O-N 2.82Å; N94-Q96 PolarHBondContact O-N 3.05Å; Q96-Y98 VanDerWaalsContact C-N 3.32Å; Q96-Y98 PolarHBondContact O-N 2.79Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; Q96-R99 PolarHBondContact O-N 3.2Å; Q96-R99 VanDerWaalsContact OE1-NH1 3.15Å; Q96-E100 PolarHBondContact O-N 3.28Å; Q96-E100 VanDerWaalsContact O-N 3.15Å
97	T	97.5	Very high	97.6	Very high	62 Å²	62	51.2 Å²	51.2	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-45	177.6	-57.8	0	0	0	0	111.5	T93 N94 R99 E100 N101	T93-T97 PolarHBondContact O-N 2.98Å; T93-T97 PolarHBondContact O-OG1 2.03Å; N94-T97 PolarHBondContact O-N 3.07Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 2.74Å; T97-E100 PolarHBondContact O-N 3Å; T97-E100 VanDerWaalsContact O-N 3.17Å; T97-N101 VanDerWaalsContact O-CG 3.29Å; T97-N101 PolarHBondContact O-N 3.43Å; T97-N101 PolarHBondContact O-OD1 2.89Å
98	Y	97.6	Very high	97.6	Very high	11 Å²	11	52.4 Å²	52.4	4%	0.043	25%	0.245	C	C	.	.	H	α-helix	trans	-72.8	-29.2	-176.5	-79.5	-124	0	0	0	112	Y33 A35 F46 N94 Q96 E100 N101 L102 W119 T121	Y33-Y98 HydrophobicContact CD2-CE2 4.33Å; Y33-Y98 AromaticContact CD2-CZ 3.89Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.19Å; A35-Y98 HydrophobicContact CB-CD1 3.87Å; A35-Y98 HydrophobicContact CB-CG 4.23Å; F46-Y98 HydrophobicContact CD2-CD1 4.18Å; F46-Y98 HydrophobicContact CD2-CG 4.06Å; F46-Y98 AromaticContact CE2-CD1 3.89Å; F46-Y98 HydrophobicContact CE2-CD1 3.89Å; F46-Y98 HydrophobicContact CE2-CD2 4.03Å; F46-Y98 HydrophobicContact CE2-CE1 4.17Å; F46-Y98 HydrophobicContact CE2-CE2 4.3Å; F46-Y98 AromaticContact CE2-CG 3.84Å; F46-Y98 HydrophobicContact CE2-CG 3.84Å; N94-Y98 HydrophobicContact CB-CD2 4.28Å; N94-Y98 HydrophobicContact CB-CE2 4.28Å; N94-Y98 WeakPolarHBondContact O-CB 2.94Å; N94-Y98 WeakPolarHBondContact O-CD2 3.03Å; N94-Y98 PolarHBondContact O-N 2.86Å; Q96-Y98 VanDerWaalsContact C-N 3.32Å; Q96-Y98 PolarHBondContact O-N 2.79Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; Y98-N101 PolarHBondContact O-N 3.42Å; Y98-L102 WeakPolarHBondContact O-CG 3.39Å; Y98-L102 PolarHBondContact O-N 2.93Å; Y98-W119 AromaticContact CD1-CD1 3.4Å; Y98-W119 HydrophobicContact CD1-CG 4.32Å; Y98-W119 AromaticContact CE1-CD1 3.47Å; Y98-W119 VanDerWaalsContact CE1-CD1 3.47Å; Y98-W119 AromaticContact CE1-NE1 3.93Å; Y98-T121 VanDerWaalsContact CE1-OG1 3.31Å; Y98-T121 WeakPolarHBondContact CE1-OG1 3.4Å; Y98-T121 VanDerWaalsContact CZ-OG1 3.3Å; Y98-T121 WeakPolarHBondContact OH-CB 3.19Å; Y98-T121 PolarHBondContact OH-OG1 3.28Å
99	R	97.3	Very high	97.6	Very high	45 Å²	45	55.2 Å²	55.2	17%	0.17	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-44.4	169	179.2	-169.7	-57	-171.7	-9.2	111.4	E43 P44 T95 Q96 T97 R103	E43-R99 VanDerWaalsContact CG-NH2 3.32Å; E43-R99 IonicContact OE1-CZ 3.94Å; E43-R99 IonicContact OE1-NH1 3.53Å; E43-R99 VanDerWaalsContact OE2-CD 3.23Å; E43-R99 WeakPolarHBondContact OE2-CD 3.46Å; E43-R99 IonicContact OE2-CZ 2.75Å; E43-R99 IonicContact OE2-NE 3.28Å; E43-R99 PolarHBondContact OE2-NE 3.5Å; E43-R99 IonicContact OE2-NH1 3.48Å; E43-R99 PolarHBondContact OE2-NH1 3.02Å; E43-R99 IonicContact OE2-NH2 3.58Å; E43-R99 PolarHBondContact OE2-NH2 3.35Å; P44-R99 HydrophobicContact CG-CB 4.47Å; P44-R99 HydrophobicContact CG-CG 4.16Å; T95-R99 PolarHBondContact O-N 2.79Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; Q96-R99 PolarHBondContact O-N 3.2Å; Q96-R99 VanDerWaalsContact OE1-NH1 3.15Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 2.74Å; R99-R103 PolarHBondContact O-N 2.99Å
100	E	97.2	Very high	97.5	Very high	71 Å²	71	57 Å²	57	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-70.6	-38	176.7	-171.6	55.9	-151.1	0	0	111.7	Q96 T97 Y98 L102 R103 I104 R107	Q96-E100 PolarHBondContact O-N 3.28Å; Q96-E100 VanDerWaalsContact O-N 3.15Å; T97-E100 PolarHBondContact O-N 3Å; T97-E100 VanDerWaalsContact O-N 3.17Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 2.78Å; E100-R103 WeakPolarHBondContact O-CB 3.32Å; E100-R103 PolarHBondContact O-N 2.94Å; E100-R103 VanDerWaalsContact O-N 3.08Å; E100-R103 WeakPolarHBondContact OE2-CD 3.47Å; E100-R103 IonicContact OE2-NH1 3.42Å; E100-I104 HydrophobicContact CG-CD1 3.93Å; E100-I104 HydrophobicContact CG-CG1 4.33Å; E100-I104 WeakPolarHBondContact O-CG1 3.46Å; E100-I104 PolarHBondContact O-N 2.97Å; E100-R107 IonicContact OE1-NH2 3.25Å; E100-R107 PolarHBondContact OE1-NH2 3.27Å; E100-R107 VanDerWaalsContact OE1-NH2 3.16Å
101	N	97.4	Very high	97.5	Very high	35 Å²	35	57.4 Å²	57.4	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-44.1	174.2	-68.8	-11	0	0	0	111.8	T97 Y98 R103 I104 A105 W119	T97-N101 VanDerWaalsContact O-CG 3.29Å; T97-N101 PolarHBondContact O-N 3.43Å; T97-N101 PolarHBondContact O-OD1 2.89Å; Y98-N101 PolarHBondContact O-N 3.42Å; N101-R103 VanDerWaalsContact C-N 3.33Å; N101-R103 PolarHBondContact O-N 2.95Å; N101-I104 PolarHBondContact O-N 3.4Å; N101-A105 WeakPolarHBondContact O-CB 3.33Å; N101-A105 PolarHBondContact O-N 2.85Å; N101-W119 HydrophobicContact CB-CD2 3.99Å; N101-W119 HydrophobicContact CB-CE3 4.35Å; N101-W119 HydrophobicContact CB-CG 4.39Å; N101-W119 HydrophobicContact CB-CZ2 4.28Å
102	L	98.1	Very high	97.3	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-42	174.6	-76.4	165.5	0	0	0	112.1	A35 P44 Y98 E100 L106 H117 W119 Y142	A35-L102 HydrophobicContact CB-CD1 3.95Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.89Å; Y98-L102 WeakPolarHBondContact O-CG 3.39Å; Y98-L102 PolarHBondContact O-N 2.93Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 2.78Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 WeakPolarHBondContact O-CG 3.3Å; L102-L106 PolarHBondContact O-N 2.94Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L102-W119 HydrophobicContact CD2-CB 3.75Å; L102-W119 HydrophobicContact CG-CB 4.02Å; L102-Y142 HydrophobicContact CD2-CE2 4.16Å
103	R	96.7	Very high	97	Very high	115 Å²	115	64.9 Å²	64.9	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-67.6	-38.7	176.7	-69	173.6	-179.6	163.8	-1.3	112.6	R99 E100 N101 R107	R99-R103 PolarHBondContact O-N 2.99Å; E100-R103 WeakPolarHBondContact O-CB 3.32Å; E100-R103 PolarHBondContact O-N 2.94Å; E100-R103 VanDerWaalsContact O-N 3.08Å; E100-R103 WeakPolarHBondContact OE2-CD 3.47Å; E100-R103 IonicContact OE2-NH1 3.42Å; N101-R103 VanDerWaalsContact C-N 3.33Å; N101-R103 PolarHBondContact O-N 2.95Å; R103-R107 WeakPolarHBondContact O-CG 3.4Å; R103-R107 PolarHBondContact O-N 3.47Å
104	I	96.9	Very high	96.7	Very high	41 Å²	41	65.5 Å²	65.5	21%	0.21	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-47.4	175.9	-70.7	167.2	0	0	0	110.1	E100 N101 L106 R107 Y108	E100-I104 HydrophobicContact CG-CD1 3.93Å; E100-I104 HydrophobicContact CG-CG1 4.33Å; E100-I104 WeakPolarHBondContact O-CG1 3.46Å; E100-I104 PolarHBondContact O-N 2.97Å; N101-I104 PolarHBondContact O-N 3.4Å; I104-L106 PolarHBondContact O-N 3.37Å; I104-R107 VanDerWaalsContact CG1-NH2 3.26Å; I104-R107 WeakPolarHBondContact O-CB 3.46Å; I104-R107 PolarHBondContact O-N 2.84Å; I104-R107 VanDerWaalsContact O-N 3.14Å; I104-Y108 HydrophobicContact CG2-CD1 4.23Å; I104-Y108 HydrophobicContact CG2-CD2 3.91Å; I104-Y108 HydrophobicContact CG2-CE1 3.79Å; I104-Y108 HydrophobicContact CG2-CE2 3.43Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.43Å; I104-Y108 HydrophobicContact CG2-CG 4.28Å; I104-Y108 PolarHBondContact O-N 2.66Å
105	A	97.1	Very high	96.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-47.6	179.5	0	0	0	0	0	111.3	N101 R107 Y108 Y109 W119 Y142	N101-A105 WeakPolarHBondContact O-CB 3.33Å; N101-A105 PolarHBondContact O-N 2.85Å; A105-R107 PolarHBondContact O-N 3.49Å; A105-Y108 PolarHBondContact O-N 3.18Å; A105-Y108 VanDerWaalsContact O-N 3.07Å; A105-Y109 VanDerWaalsContact O-CD2 3.28Å; A105-Y109 WeakPolarHBondContact O-CD2 3.46Å; A105-Y109 PolarHBondContact O-N 3Å; A105-W119 HydrophobicContact CB-CE3 4.15Å; A105-W119 HydrophobicContact CB-CZ3 3.93Å; A105-Y142 HydrophobicContact CB-CD1 4.26Å; A105-Y142 HydrophobicContact CB-CD2 3.96Å; A105-Y142 HydrophobicContact CB-CE1 3.91Å; A105-Y142 HydrophobicContact CB-CE2 3.61Å; A105-Y142 HydrophobicContact CB-CG 4.26Å
106	L	96.9	Very high	96.4	Very high	28 Å²	28	68.4 Å²	68.4	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-48.5	-46.4	172.9	-84.4	168.2	0	0	0	112.3	L102 I104 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 WeakPolarHBondContact O-CG 3.3Å; L102-L106 PolarHBondContact O-N 2.94Å; I104-L106 PolarHBondContact O-N 3.37Å; L106-N110 PolarHBondContact O-N 2.82Å; L106-N110 VanDerWaalsContact O-N 3.12Å; L106-Q111 HydrophobicContact CD2-CB 3.68Å; L106-Q111 PolarHBondContact O-N 3.12Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.49Å; L106-H117 VanDerWaalsContact CD2-NE2 3.33Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.35Å
107	R	97.3	Very high	96.5	Very high	143 Å²	143	64.2 Å²	64.2	54%	0.54	33%	0.334	S	S	.	.	H	α-helix	trans	-68.1	-45.1	178.1	-70.3	-173.4	-65.5	-111	1.8	112.5	E100 R103 I104 A105 Y109 N110	E100-R107 IonicContact OE1-NH2 3.25Å; E100-R107 PolarHBondContact OE1-NH2 3.27Å; E100-R107 VanDerWaalsContact OE1-NH2 3.16Å; R103-R107 WeakPolarHBondContact O-CG 3.4Å; R103-R107 PolarHBondContact O-N 3.47Å; I104-R107 VanDerWaalsContact CG1-NH2 3.26Å; I104-R107 WeakPolarHBondContact O-CB 3.46Å; I104-R107 PolarHBondContact O-N 2.84Å; I104-R107 VanDerWaalsContact O-N 3.14Å; A105-R107 PolarHBondContact O-N 3.49Å; R107-Y109 VanDerWaalsContact C-N 3.27Å; R107-Y109 PolarHBondContact O-N 2.95Å; R107-N110 PolarHBondContact O-N 2.61Å
108	Y	97.8	Very high	96.5	Very high	50 Å²	50	63 Å²	63	20%	0.196	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-35.1	-178.7	-69.9	-6.8	0	0	0	112.6	I104 A105 A163 I166 K170	I104-Y108 HydrophobicContact CG2-CD1 4.23Å; I104-Y108 HydrophobicContact CG2-CD2 3.91Å; I104-Y108 HydrophobicContact CG2-CE1 3.79Å; I104-Y108 HydrophobicContact CG2-CE2 3.43Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.43Å; I104-Y108 HydrophobicContact CG2-CG 4.28Å; I104-Y108 PolarHBondContact O-N 2.66Å; A105-Y108 PolarHBondContact O-N 3.18Å; A105-Y108 VanDerWaalsContact O-N 3.07Å; Y108-A163 HydrophobicContact CD2-CB 4.49Å; Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.02Å; Y108-I166 HydrophobicContact CE2-CG2 4Å; Y108-I166 HydrophobicContact CG-CD1 4.28Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.44Å; Y108-K170 PolarHBondContact OH-NZ 3.25Å
109	Y	97.7	Very high	96.6	Very high	68 Å²	68	62.9 Å²	62.9	27%	0.267	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2.6	178.7	-69.5	-72.3	0	0	0	114	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 VanDerWaalsContact O-CD2 3.28Å; A105-Y109 WeakPolarHBondContact O-CD2 3.46Å; A105-Y109 PolarHBondContact O-N 3Å; R107-Y109 VanDerWaalsContact C-N 3.27Å; R107-Y109 PolarHBondContact O-N 2.95Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Y109-Y147 HydrophobicContact CE2-CD2 4.22Å; Y109-Y147 AromaticContact CE2-CE2 3.89Å; Y109-Y147 HydrophobicContact CE2-CE2 3.89Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.42Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.44Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.9Å; Y109-D161 PolarHBondContact OH-OD2 3.46Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	96.8	Very high	96.7	Very high	152 Å²	152	64.2 Å²	64.2	81%	0.813	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.2	-176.8	-56.2	-62.4	0	0	0	113.1	L106 R107	L106-N110 PolarHBondContact O-N 2.82Å; L106-N110 VanDerWaalsContact O-N 3.12Å; R107-N110 PolarHBondContact O-N 2.61Å
111	Q	96.8	Very high	96.7	Very high	65 Å²	65	61.1 Å²	61.1	30%	0.304	32%	0.32	S	S	.	.			trans	-90	156.3	-177.4	-73	166.9	-36.2	0	0	112	L106 Y109 H117 Y142	L106-Q111 HydrophobicContact CD2-CB 3.68Å; L106-Q111 PolarHBondContact O-N 3.12Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Q111-H117 VanDerWaalsContact CD-CE1 3.41Å; Q111-H117 PolarHBondContact NE2-CE1 3.15Å; Q111-H117 PolarHBondContact OE1-CE1 3.15Å; Q111-Y142 PolarHBondContact OE1-OH 3.22Å
112	S	94.3	Very high	96.8	Very high	82 Å²	82	60.4 Å²	60.4	57%	0.573	32%	0.316	S	S	*	.			trans	-76.6	141.9	178	175.7	0	0	0	0	111.8	A114 G115	S112-A114 PolarHBondContact O-N 3.43Å; S112-A114 VanDerWaalsContact O-N 3.15Å; S112-A114 PolarHBondContact OG-N 3.24Å; S112-G115 PolarHBondContact O-N 3Å; S112-G115 VanDerWaalsContact O-N 3.15Å
113	E	92.2	Very high	96.8	Very high	168 Å²	168	61.8 Å²	61.8	79%	0.785	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.9	174.2	-62.1	-173	172	0	0	113.7	P39 G115	P39-E113 WeakPolarHBondContact CB-O 3.5Å; P39-E113 WeakPolarHBondContact CG-O 3.5Å; E113-G115 VanDerWaalsContact C-N 3.27Å
114	A	93	Very high	96.9	Very high	84 Å²	84	56.3 Å²	56.3	69%	0.694	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-16.7	176.2	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.43Å; S112-A114 VanDerWaalsContact O-N 3.15Å; S112-A114 PolarHBondContact OG-N 3.24Å
115	G	93.1	Very high	97	Very high	25 Å²	25	54.4 Å²	54.4	26%	0.258	29%	0.29	S	S	.	.	S	Bend	trans	-77.3	139.7	-179.9	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.29Å; S112-G115 PolarHBondContact O-N 3Å; S112-G115 VanDerWaalsContact O-N 3.15Å; E113-G115 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-CD2 3.03Å
116	S	96.6	Very high	97	Very high	84 Å²	84	55.5 Å²	55.5	59%	0.587	30%	0.296	S	S	*	.			trans	-84	132.4	164.7	-179.1	0	0	0	0	108.8	S37	S37-S116 WeakPolarHBondContact O-CB 3.38Å; S37-S116 PolarHBondContact O-OG 3.46Å
117	H	98.2	Very high	97	Very high	15 Å²	15	54.2 Å²	54.2	7%	0.069	29%	0.29	C	S	.	.			trans	-133.2	152.2	-174.4	-65.3	-77.4	0	0	0	110.4	M36 S37 L102 L106 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.36Å; S37-H117 PolarHBondContact N-O 3.4Å; S37-H117 PolarHBondContact OG-N 2.78Å; S37-H117 PolarHBondContact OG-O 3.3Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.49Å; L106-H117 VanDerWaalsContact CD2-NE2 3.33Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.35Å; Q111-H117 VanDerWaalsContact CD-CE1 3.41Å; Q111-H117 PolarHBondContact NE2-CE1 3.15Å; Q111-H117 PolarHBondContact OE1-CE1 3.15Å; G115-H117 PolarHBondContact O-CD2 3.03Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 AromaticContact ND1-CZ 3.83Å; H117-Y142 PolarHBondContact ND1-OH 3.13Å; H117-D143 WeakPolarHBondContact CA-OD1 3.25Å; H117-D143 WeakPolarHBondContact CB-OD1 3.14Å; H117-D143 IonicContact CE1-OD2 3.51Å; H117-D143 IonicContact CG-OD1 2.7Å; H117-D143 IonicContact CG-OD2 3Å; H117-D143 IonicContact ND1-OD1 2.76Å; H117-D143 PolarHBondContact ND1-OD1 3.35Å; H117-D143 IonicContact ND1-OD2 3.47Å; H117-D143 PolarHBondContact ND1-OD2 3.11Å
118	T	98.6	Very high	96.9	Very high	37 Å²	37	50.9 Å²	50.9	23%	0.227	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.7	-175.8	-56.8	0	0	0	0	110.3	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.99Å; A35-T118 CarbonylContact O-C 3.59Å; A35-T118 WeakPolarHBondContact O-CA 3.33Å; M36-T118 HydrophobicContact CG-CG2 4.14Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 WeakPolarHBondContact O-CA 3.31Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.28Å; T118-D143 PolarHBondContact N-OD1 2.82Å; T118-D143 PolarHBondContact O-N 3.19Å
119	W	98.7	Very high	96.6	Very high	9 Å²	9	53.2 Å²	53.2	3%	0.034	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.9	172.5	-173.9	-78.6	0	0	0	109.1	A35 Y98 N101 L102 A105 Y140 Y142 Y147	A35-W119 HydrophobicContact CB-CB 4.48Å; A35-W119 PolarHBondContact N-O 3.16Å; A35-W119 PolarHBondContact O-N 2.88Å; Y98-W119 AromaticContact CD1-CD1 3.4Å; Y98-W119 HydrophobicContact CD1-CG 4.32Å; Y98-W119 AromaticContact CE1-CD1 3.47Å; Y98-W119 VanDerWaalsContact CE1-CD1 3.47Å; Y98-W119 AromaticContact CE1-NE1 3.93Å; N101-W119 HydrophobicContact CB-CD2 3.99Å; N101-W119 HydrophobicContact CB-CE3 4.35Å; N101-W119 HydrophobicContact CB-CG 4.39Å; N101-W119 HydrophobicContact CB-CZ2 4.28Å; L102-W119 HydrophobicContact CD2-CB 3.75Å; L102-W119 HydrophobicContact CG-CB 4.02Å; A105-W119 HydrophobicContact CB-CE3 4.15Å; A105-W119 HydrophobicContact CB-CZ3 3.93Å; W119-Y140 AromaticContact CZ2-CD1 3.89Å; W119-Y140 HydrophobicContact CZ2-CD1 3.89Å; W119-Y140 HydrophobicContact CZ2-CG 4.33Å; W119-Y140 AromaticContact NE1-CD1 3.6Å; W119-Y142 AromaticContact CE3-CD2 3.7Å; W119-Y142 HydrophobicContact CE3-CD2 3.7Å; W119-Y142 HydrophobicContact CE3-CE2 4.46Å; W119-Y142 HydrophobicContact CE3-CG 4.26Å; W119-Y142 HydrophobicContact CZ3-CD2 4.29Å; W119-Y142 HydrophobicContact CZ3-CG 4.46Å; W119-Y147 AromaticContact CH2-CD1 3.54Å; W119-Y147 HydrophobicContact CH2-CD1 3.54Å; W119-Y147 AromaticContact CH2-CE1 3.53Å; W119-Y147 HydrophobicContact CH2-CE1 3.53Å; W119-Y147 HydrophobicContact CH2-CG 4.13Å; W119-Y147 HydrophobicContact CZ2-CD1 4.27Å; W119-Y147 HydrophobicContact CZ2-CE1 4.46Å; W119-Y147 HydrophobicContact CZ3-CD1 4.22Å; W119-Y147 HydrophobicContact CZ3-CE1 4.25Å; W119-Y147 HydrophobicContact CZ3-CG 4.39Å
120	Q	98.8	Very high	96.2	Very high	73 Å²	73	54.9 Å²	54.9	34%	0.341	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.7	-176.4	-72	169	-76.7	0	0	110.9	Y33 T34 T118 Y140 A141	Y33-Q120 CarbonylContact O-C 3.58Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; T34-Q120 HydrophobicContact CG2-CG 3.99Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 VanDerWaalsContact O-CA 3.28Å; Q120-Y140 WeakPolarHBondContact O-CA 3.32Å; Q120-A141 HydrophobicContact CB-CB 4.28Å; Q120-A141 PolarHBondContact N-O 3.13Å; Q120-A141 PolarHBondContact O-N 2.85Å
121	T	98.5	Very high	95.9	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.7	174.1	-50.8	0	0	0	0	109.6	F32 Y33 Y98 Y123 Q139 Y140	F32-T121 WeakPolarHBondContact CA-O 3.42Å; Y33-T121 PolarHBondContact N-O 2.82Å; Y33-T121 PolarHBondContact O-N 3.45Å; Y98-T121 VanDerWaalsContact CE1-OG1 3.31Å; Y98-T121 WeakPolarHBondContact CE1-OG1 3.4Å; Y98-T121 VanDerWaalsContact CZ-OG1 3.3Å; Y98-T121 WeakPolarHBondContact OH-CB 3.19Å; Y98-T121 PolarHBondContact OH-OG1 3.28Å; T121-Y123 HydrophobicContact CG2-CD1 4.25Å; T121-Q139 CarbonylContact C-O 3.57Å; T121-Q139 VanDerWaalsContact CA-O 3.29Å; T121-Q139 WeakPolarHBondContact CA-O 3.37Å; T121-Y140 HydrophobicContact CG2-CD1 3.74Å; T121-Y140 HydrophobicContact CG2-CE1 3.46Å; T121-Y140 VanDerWaalsContact CG2-CE1 3.46Å; T121-Y140 HydrophobicContact CG2-CE2 4.37Å; T121-Y140 HydrophobicContact CG2-CG 4.32Å; T121-Y140 WeakPolarHBondContact OG1-CD1 3.25Å; T121-Y140 VanDerWaalsContact OG1-CE1 3.24Å; T121-Y140 WeakPolarHBondContact OG1-CE1 3.2Å
122	M	98.6	Very high	95.8	Very high	20 Å²	20	52.4 Å²	52.4	10%	0.099	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.9	165.9	-174.5	-77.9	-70.7	0	0	108.4	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.4Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.1Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CZ-CG 3.97Å; M122-H137 HydrophobicContact CE-CB 3.9Å; M122-H137 HydrophobicContact SD-CB 4.02Å; M122-N138 WeakPolarHBondContact O-CA 3.45Å; M122-Q139 HydrophobicContact CB-CG 4.06Å; M122-Q139 VanDerWaalsContact CE-CD 3.46Å; M122-Q139 HydrophobicContact CE-CG 3.95Å; M122-Q139 PolarHBondContact N-O 3.41Å; M122-Q139 PolarHBondContact O-N 3.15Å
123	Y	98.6	Very high	95.9	Very high	34 Å²	34	50.7 Å²	50.7	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	157.9	172	72.7	-87.4	0	0	0	110.9	Y31 Y33 T121 H137 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.39Å; Y31-Y123 AromaticContact CD2-CE2 3.63Å; Y31-Y123 HydrophobicContact CD2-CE2 3.63Å; Y31-Y123 AromaticContact CD2-CZ 3.76Å; Y31-Y123 HydrophobicContact CE2-CE2 4.41Å; Y31-Y123 HydrophobicContact CG-CE1 4.25Å; Y31-Y123 HydrophobicContact CG-CE2 4.09Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.19Å; Y31-Y123 PolarHBondContact O-N 3.49Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD2-CE1 4.05Å; Y33-Y123 HydrophobicContact CE1-CE1 4.27Å; Y33-Y123 AromaticContact CE2-CE1 3.48Å; Y33-Y123 HydrophobicContact CE2-CE1 3.48Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.48Å; Y33-Y123 AromaticContact CZ-CE1 3.61Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 2.82Å; T121-Y123 HydrophobicContact CG2-CD1 4.25Å; Y123-H137 CarbonylContact C-O 3.46Å; Y123-H137 WeakPolarHBondContact CA-O 3.38Å; Y123-H137 VanDerWaalsContact CB-O 3.3Å; Y123-H137 WeakPolarHBondContact CB-O 3.23Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.73Å; Y123-Y183 HydrophobicContact CE2-CE1 3.73Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å
124	G	98.6	Very high	96.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.4	-175.9	-177.4	0	0	0	0	0	113.6	M29 H137 L184	M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.18Å; G124-H137 PolarHBondContact N-O 2.73Å; G124-H137 PolarHBondContact O-N 3.2Å; G124-L184 WeakPolarHBondContact O-CD2 3.35Å
125	C	98.6	Very high	96.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.5	-176.3	51.2	0	0	0	0	110.5	S28 M29 L133 R135 C188 V189	S28-C125 CarbonylContact C-O 3.56Å; S28-C125 WeakPolarHBondContact CA-O 3.32Å; M29-C125 PolarHBondContact N-O 3.42Å; M29-C125 PolarHBondContact O-N 2.85Å; C125-L133 HydrophobicContact CB-CD1 3.63Å; C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.46Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 3.31Å; C125-C188 WeakPolarHBondContact SG-CB 3.15Å; C125-C188 PolarHBondContact SG-O 2.84Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.86Å; C125-V189 HydrophobicContact CB-CG2 4.39Å
126	D	98.1	Very high	96.6	Very high	23 Å²	23	47.5 Å²	47.5	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.7	170.4	-51.6	-25.3	0	0	0	107.9	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.33Å; S28-D126 WeakPolarHBondContact CB-OD1 3.13Å; R30-D126 IonicContact CZ-OD1 3.72Å; R30-D126 IonicContact NE-OD1 3.57Å; R30-D126 PolarHBondContact NE-OD1 2.94Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NH2-CG 3.31Å; R30-D126 IonicContact NH2-OD1 2.75Å; R30-D126 PolarHBondContact NH2-OD1 3.45Å; R30-D126 IonicContact NH2-OD2 2.73Å; R30-D126 PolarHBondContact NH2-OD2 3.33Å; D126-L134 HydrophobicContact CB-CB 4.35Å; D126-L134 WeakPolarHBondContact O-CB 3.35Å; D126-L134 PolarHBondContact O-N 3.19Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 3.17Å; D126-R135 PolarHBondContact O-N 3.29Å; D126-H137 IonicContact OD1-CD2 2.69Å; D126-H137 IonicContact OD1-NE2 3.87Å; D126-H137 IonicContact OD2-CD2 3.63Å; D126-H137 IonicContact OD2-CE1 3.64Å; D126-H137 IonicContact OD2-NE2 3.49Å; D126-H137 PolarHBondContact OD2-NE2 2.69Å
127	V	97.2	Very high	96.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.3	179.4	-62.4	0	0	0	0	111.6	S26 H27 R132 V189 L192	S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.36Å; S26-V127 WeakPolarHBondContact CB-O 3.48Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.97Å; H27-V127 VanDerWaalsContact N-O 3.14Å; H27-V127 PolarHBondContact O-N 2.74Å; V127-R132 CarbonylContact C-O 3.53Å; V127-R132 WeakPolarHBondContact CA-O 3.45Å; V127-R132 WeakPolarHBondContact CB-O 3.16Å; V127-V189 HydrophobicContact CG1-CB 4.44Å; V127-V189 HydrophobicContact CG1-CG1 4.01Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.87Å; V127-L192 HydrophobicContact CG2-CD2 3.63Å; V127-L192 HydrophobicContact CG2-CG 4.29Å
128	E	94.4	Very high	96.6	Very high	74 Å²	74	43.9 Å²	43.9	35%	0.346	22%	0.216	S	C	.	.			trans	-67.4	166.4	168.7	-64.4	-171.5	115.2	0	0	110.8	D130 G131 R132 L134	E128-D130 WeakPolarHBondContact CB-OD1 3.17Å; E128-D130 PolarHBondContact O-N 3.28Å; E128-D130 VanDerWaalsContact O-N 3.14Å; E128-G131 VanDerWaalsContact O-CA 3.3Å; E128-G131 WeakPolarHBondContact O-CA 3.39Å; E128-G131 PolarHBondContact O-N 2.96Å; E128-R132 PolarHBondContact N-O 3.4Å; E128-L134 HydrophobicContact CG-CB 4.01Å; E128-L134 HydrophobicContact CG-CD1 4.09Å; E128-L134 HydrophobicContact CG-CG 4.5Å
129	P	91.2	Very high	96.6	Very high	99 Å²	99	45.9 Å²	45.9	64%	0.643	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26	176.6	-23.6	30.9	0	0	0	114.9	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.44Å; G25-P129 WeakPolarHBondContact O-CG 3.5Å; P129-G131 PolarHBondContact O-N 2.79Å
130	D	89.7	Confident	96.6	Very high	102 Å²	102	47 Å²	47	55%	0.545	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.3	173.9	75.8	-5.8	0	0	0	113.1	E128 R132	E128-D130 WeakPolarHBondContact CB-OD1 3.17Å; E128-D130 PolarHBondContact O-N 3.28Å; E128-D130 VanDerWaalsContact O-N 3.14Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.45Å; D130-R132 WeakPolarHBondContact OD1-CG 3.27Å; D130-R132 PolarHBondContact OD1-N 3Å; D130-R132 WeakPolarHBondContact OD2-CD 3.4Å
131	G	90.5	Very high	96.6	Very high	10 Å²	10	44.3 Å²	44.3	10%	0.103	22%	0.218	C	C	.	.	S	Bend	trans	83.5	1.4	178.5	0	0	0	0	0	114.6	E128 P129 V189 R193	E128-G131 VanDerWaalsContact O-CA 3.3Å; E128-G131 WeakPolarHBondContact O-CA 3.39Å; E128-G131 PolarHBondContact O-N 2.96Å; P129-G131 PolarHBondContact O-N 2.79Å; G131-V189 WeakPolarHBondContact O-CG1 3.47Å; G131-R193 VanDerWaalsContact O-CZ 3.22Å; G131-R193 PolarHBondContact O-NE 3.13Å; G131-R193 PolarHBondContact O-NH2 2.97Å
132	R	94.7	Very high	96.6	Very high	156 Å²	156	44.5 Å²	44.5	59%	0.589	22%	0.218	S	C	*	.			trans	-70.4	149.7	177.5	-72.5	176.3	59	-179.4	-9.2	111.5	V127 E128 D130 L134	V127-R132 CarbonylContact C-O 3.53Å; V127-R132 WeakPolarHBondContact CA-O 3.45Å; V127-R132 WeakPolarHBondContact CB-O 3.16Å; E128-R132 PolarHBondContact N-O 3.4Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.45Å; D130-R132 WeakPolarHBondContact OD1-CG 3.27Å; D130-R132 PolarHBondContact OD1-N 3Å; D130-R132 WeakPolarHBondContact OD2-CD 3.4Å; R132-L134 PolarHBondContact O-N 3.26Å
133	L	96.9	Very high	96.6	Very high	46 Å²	46	46.4 Å²	46.4	24%	0.241	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	120.5	174.1	-176.7	72.5	0	0	0	109.7	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.63Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; L133-L154 HydrophobicContact CD2-CD1 4.14Å; L133-E185 HydrophobicContact CD2-CB 4.36Å; L133-E185 HydrophobicContact CD2-CG 3.62Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.8Å; L133-V189 HydrophobicContact CG-CG2 4.5Å
134	L	96.4	Very high	96.6	Very high	101 Å²	101	47.6 Å²	47.6	53%	0.529	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-49	169.5	179	60.8	0	0	0	110.2	D126 E128 R132	D126-L134 HydrophobicContact CB-CB 4.35Å; D126-L134 WeakPolarHBondContact O-CB 3.35Å; D126-L134 PolarHBondContact O-N 3.19Å; E128-L134 HydrophobicContact CG-CB 4.01Å; E128-L134 HydrophobicContact CG-CD1 4.09Å; E128-L134 HydrophobicContact CG-CG 4.5Å; R132-L134 PolarHBondContact O-N 3.26Å
135	R	96.8	Very high	96.5	Very high	103 Å²	103	55.2 Å²	55.2	39%	0.389	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	138.1	-175.5	-173.6	173.1	175.6	138.1	7.8	111.8	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.46Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 3.17Å; D126-R135 PolarHBondContact O-N 3.29Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; R135-H137 WeakPolarHBondContact CD-CE1 3.46Å; R135-H137 PolarHBondContact NE-CE1 2.75Å; R135-E152 IonicContact CZ-OE1 3.62Å; R135-E152 IonicContact NH1-OE1 3.85Å; R135-E152 PolarHBondContact NH1-OE1 3.03Å; R135-E152 IonicContact NH2-OE1 2.78Å; R135-E152 PolarHBondContact NH2-OE1 3.2Å
136	G	97.9	Very high	96.6	Very high	5 Å²	5	61.2 Å²	61.2	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	147.8	168.5	0	0	0	0	0	111.2
137	H	98.1	Very high	96.6	Very high	18 Å²	18	60.2 Å²	60.2	8%	0.083	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.1	-180	-55.9	-94	0	0	0	110.1	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.25Å; R30-H137 VanDerWaalsContact NH2-NE2 3.13Å; M122-H137 HydrophobicContact CE-CB 3.9Å; M122-H137 HydrophobicContact SD-CB 4.02Å; Y123-H137 CarbonylContact C-O 3.46Å; Y123-H137 WeakPolarHBondContact CA-O 3.38Å; Y123-H137 VanDerWaalsContact CB-O 3.3Å; Y123-H137 WeakPolarHBondContact CB-O 3.23Å; G124-H137 PolarHBondContact N-O 2.73Å; G124-H137 PolarHBondContact O-N 3.2Å; D126-H137 IonicContact OD1-CD2 2.69Å; D126-H137 IonicContact OD1-NE2 3.87Å; D126-H137 IonicContact OD2-CD2 3.63Å; D126-H137 IonicContact OD2-CE1 3.64Å; D126-H137 IonicContact OD2-NE2 3.49Å; D126-H137 PolarHBondContact OD2-NE2 2.69Å; R135-H137 WeakPolarHBondContact CD-CE1 3.46Å; R135-H137 PolarHBondContact NE-CE1 2.75Å
138	N	98.5	Very high	96.6	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.027	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	109.2	161.9	-168.2	0.6	0	0	0	109.7	M122 Y140 L150 L180	M122-N138 WeakPolarHBondContact O-CA 3.45Å; N138-Y140 PolarHBondContact ND2-OH 3.01Å; N138-Y140 VanDerWaalsContact OD1-CE2 3.24Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.41Å; N138-Y140 PolarHBondContact OD1-OH 3.21Å; N138-L150 HydrophobicContact CB-CB 4.09Å; N138-L150 HydrophobicContact CB-CD2 4.26Å; N138-L150 WeakPolarHBondContact O-CB 3.45Å; N138-L150 PolarHBondContact O-N 3.17Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.4Å; N138-L180 WeakPolarHBondContact ND2-CD2 3.23Å
139	Q	98.5	Very high	96.9	Very high	79 Å²	79	58.1 Å²	58.1	37%	0.369	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.1	-174.7	65.7	-168.8	43.6	0	0	111.7	T121 M122 A149	T121-Q139 CarbonylContact C-O 3.57Å; T121-Q139 VanDerWaalsContact CA-O 3.29Å; T121-Q139 WeakPolarHBondContact CA-O 3.37Å; M122-Q139 HydrophobicContact CB-CG 4.06Å; M122-Q139 VanDerWaalsContact CE-CD 3.46Å; M122-Q139 HydrophobicContact CE-CG 3.95Å; M122-Q139 PolarHBondContact N-O 3.41Å; M122-Q139 PolarHBondContact O-N 3.15Å; Q139-A149 HydrophobicContact CB-CB 3.87Å
140	Y	98.7	Very high	97.2	Very high	32 Å²	32	54.1 Å²	54.1	13%	0.125	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.3	-174.8	-59.5	-98.6	0	0	0	110.1	W119 Q120 T121 N138 Y147 I148 W171	W119-Y140 AromaticContact CZ2-CD1 3.89Å; W119-Y140 HydrophobicContact CZ2-CD1 3.89Å; W119-Y140 HydrophobicContact CZ2-CG 4.33Å; W119-Y140 AromaticContact NE1-CD1 3.6Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 VanDerWaalsContact O-CA 3.28Å; Q120-Y140 WeakPolarHBondContact O-CA 3.32Å; T121-Y140 HydrophobicContact CG2-CD1 3.74Å; T121-Y140 HydrophobicContact CG2-CE1 3.46Å; T121-Y140 VanDerWaalsContact CG2-CE1 3.46Å; T121-Y140 HydrophobicContact CG2-CE2 4.37Å; T121-Y140 HydrophobicContact CG2-CG 4.32Å; T121-Y140 WeakPolarHBondContact OG1-CD1 3.25Å; T121-Y140 VanDerWaalsContact OG1-CE1 3.24Å; T121-Y140 WeakPolarHBondContact OG1-CE1 3.2Å; N138-Y140 PolarHBondContact ND2-OH 3.01Å; N138-Y140 VanDerWaalsContact OD1-CE2 3.24Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.41Å; N138-Y140 PolarHBondContact OD1-OH 3.21Å; Y140-Y147 WeakPolarHBondContact O-CB 3.13Å; Y140-Y147 PolarHBondContact O-N 3.23Å; Y140-I148 HydrophobicContact CD2-CG2 3.79Å; Y140-I148 HydrophobicContact CG-CG2 4.24Å; Y140-I148 PolarHBondContact N-O 2.61Å; Y140-I148 PolarHBondContact O-N 3.3Å; Y140-W171 AromaticContact CD2-CH2 3.77Å; Y140-W171 HydrophobicContact CD2-CH2 3.77Å; Y140-W171 HydrophobicContact CD2-CZ3 4Å; Y140-W171 HydrophobicContact CE1-CH2 4.17Å; Y140-W171 AromaticContact CE2-CH2 3.36Å; Y140-W171 HydrophobicContact CE2-CH2 3.36Å; Y140-W171 AromaticContact CE2-CZ3 3.64Å; Y140-W171 HydrophobicContact CE2-CZ3 3.64Å; Y140-W171 HydrophobicContact CG-CH2 4.35Å; Y140-W171 AromaticContact CZ-CH2 3.58Å
141	A	98.8	Very high	97.6	Very high	17 Å²	17	51.2 Å²	51.2	14%	0.14	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.6	174.8	0	0	0	0	0	110.9	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.28Å; Q120-A141 PolarHBondContact N-O 3.13Å; Q120-A141 PolarHBondContact O-N 2.85Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.12Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.32Å
142	Y	98.6	Very high	98	Very high	10 Å²	10	57 Å²	57	4%	0.039	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.8	176.5	-175	-121.1	0	0	0	110	L102 A105 Y109 Q111 H117 T118 W119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.16Å; A105-Y142 HydrophobicContact CB-CD1 4.26Å; A105-Y142 HydrophobicContact CB-CD2 3.96Å; A105-Y142 HydrophobicContact CB-CE1 3.91Å; A105-Y142 HydrophobicContact CB-CE2 3.61Å; A105-Y142 HydrophobicContact CB-CG 4.26Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Q111-Y142 PolarHBondContact OE1-OH 3.22Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 AromaticContact ND1-CZ 3.83Å; H117-Y142 PolarHBondContact ND1-OH 3.13Å; T118-Y142 WeakPolarHBondContact O-CA 3.31Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.28Å; W119-Y142 AromaticContact CE3-CD2 3.7Å; W119-Y142 HydrophobicContact CE3-CD2 3.7Å; W119-Y142 HydrophobicContact CE3-CE2 4.46Å; W119-Y142 HydrophobicContact CE3-CG 4.26Å; W119-Y142 HydrophobicContact CZ3-CD2 4.29Å; W119-Y142 HydrophobicContact CZ3-CG 4.46Å; Y142-G144 PolarHBondContact O-N 2.65Å; Y142-K145 PolarHBondContact N-O 3.3Å; Y142-K145 PolarHBondContact O-N 2.96Å
143	D	98.1	Very high	98.1	Very high	60 Å²	60	53.5 Å²	53.5	32%	0.321	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	40	-175.2	-66	-20.8	0	0	0	113.5	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.25Å; H117-D143 WeakPolarHBondContact CB-OD1 3.14Å; H117-D143 IonicContact CE1-OD2 3.51Å; H117-D143 IonicContact CG-OD1 2.7Å; H117-D143 IonicContact CG-OD2 3Å; H117-D143 IonicContact ND1-OD1 2.76Å; H117-D143 PolarHBondContact ND1-OD1 3.35Å; H117-D143 IonicContact ND1-OD2 3.47Å; H117-D143 PolarHBondContact ND1-OD2 3.11Å; T118-D143 PolarHBondContact N-OD1 2.82Å; T118-D143 PolarHBondContact O-N 3.19Å; D143-K145 VanDerWaalsContact C-N 3.28Å; D143-K145 PolarHBondContact O-N 2.95Å
144	G	97.3	Very high	98.1	Very high	59 Å²	59	51.8 Å²	51.8	61%	0.608	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	7.9	178.6	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.65Å
145	K	98.4	Very high	98.2	Very high	160 Å²	160	50.2 Å²	50.2	70%	0.696	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	145	175.6	-61.8	179.9	-177.2	177.3	0	110.5	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.12Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.32Å; Y142-K145 PolarHBondContact N-O 3.3Å; Y142-K145 PolarHBondContact O-N 2.96Å; D143-K145 VanDerWaalsContact C-N 3.28Å; D143-K145 PolarHBondContact O-N 2.95Å; K145-Y147 PolarHBondContact O-N 3.29Å
146	D	98.6	Very high	98.3	Very high	125 Å²	125	47.1 Å²	47.1	67%	0.668	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.2	135.1	173.3	-65.8	-33.5	0	0	0	110.4	A160	D146-A160 HydrophobicContact CB-CB 4.41Å; D146-A160 WeakPolarHBondContact O-CB 3.35Å
147	Y	98.7	Very high	98.3	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-64.4	179.1	-178.9	-101.3	0	0	0	110.2	Y109 W119 Y140 K145 A160 A163 A164 T167	Y109-Y147 HydrophobicContact CE2-CD2 4.22Å; Y109-Y147 AromaticContact CE2-CE2 3.89Å; Y109-Y147 HydrophobicContact CE2-CE2 3.89Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.42Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; W119-Y147 AromaticContact CH2-CD1 3.54Å; W119-Y147 HydrophobicContact CH2-CD1 3.54Å; W119-Y147 AromaticContact CH2-CE1 3.53Å; W119-Y147 HydrophobicContact CH2-CE1 3.53Å; W119-Y147 HydrophobicContact CH2-CG 4.13Å; W119-Y147 HydrophobicContact CZ2-CD1 4.27Å; W119-Y147 HydrophobicContact CZ2-CE1 4.46Å; W119-Y147 HydrophobicContact CZ3-CD1 4.22Å; W119-Y147 HydrophobicContact CZ3-CE1 4.25Å; W119-Y147 HydrophobicContact CZ3-CG 4.39Å; Y140-Y147 WeakPolarHBondContact O-CB 3.13Å; Y140-Y147 PolarHBondContact O-N 3.23Å; K145-Y147 PolarHBondContact O-N 3.29Å; Y147-A160 WeakPolarHBondContact O-CB 3.23Å; Y147-A160 PolarHBondContact O-N 3.36Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.85Å; Y147-A164 HydrophobicContact CD1-CB 4.34Å; Y147-A164 HydrophobicContact CD2-CB 3.99Å; Y147-A164 HydrophobicContact CE1-CB 4.21Å; Y147-A164 HydrophobicContact CE2-CB 3.88Å; Y147-A164 HydrophobicContact CG-CB 4.23Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.12Å
148	I	98.7	Very high	98.3	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	142.2	177.6	-161.2	174	0	0	0	110.4	Y140 W157 T158 A159 T167 Q168 W171	Y140-I148 HydrophobicContact CD2-CG2 3.79Å; Y140-I148 HydrophobicContact CG-CG2 4.24Å; Y140-I148 PolarHBondContact N-O 2.61Å; Y140-I148 PolarHBondContact O-N 3.3Å; I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.12Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.36Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.29Å; I148-T158 WeakPolarHBondContact CG1-O 3.29Å; I148-A159 HydrophobicContact CG1-CB 4.46Å; I148-T167 HydrophobicContact CD1-CG2 4.26Å; I148-Q168 HydrophobicContact CD1-CB 3.82Å; I148-W171 HydrophobicContact CD1-CE3 4.18Å; I148-W171 HydrophobicContact CD1-CZ3 4.38Å; I148-W171 HydrophobicContact CG2-CE3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.02Å; I148-W171 HydrophobicContact CG2-CZ3 3.62Å
149	A	98.8	Very high	98.3	Very high	29 Å²	29	51.1 Å²	51.1	24%	0.24	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.3	178	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.87Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; A149-T158 PolarHBondContact N-O 2.87Å; A149-T158 PolarHBondContact O-N 2.87Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.073	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.2	167.8	-175.4	68.5	0	0	0	108.3	N138 L154 W157 A177 L180 L184	N138-L150 HydrophobicContact CB-CB 4.09Å; N138-L150 HydrophobicContact CB-CD2 4.26Å; N138-L150 WeakPolarHBondContact O-CB 3.45Å; N138-L150 PolarHBondContact O-N 3.17Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.83Å; L150-L154 HydrophobicContact CG-CD2 4.38Å; L150-W157 HydrophobicContact CB-CE3 4.09Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.77Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.12Å; L150-W157 HydrophobicContact CD1-CZ2 3.97Å; L150-W157 HydrophobicContact CD1-CZ3 4.28Å; L150-A177 HydrophobicContact CD1-CB 3.97Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å
151	N	98.6	Very high	98.3	Very high	42 Å²	42	51.2 Å²	51.2	23%	0.225	30%	0.304	C	S	.	.			trans	-72.2	164.3	-179.5	-67.9	-28.5	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.29Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 2.93Å; N151-S156 WeakPolarHBondContact CB-O 3.48Å; N151-S156 WeakPolarHBondContact CB-OG 3.48Å; N151-S156 PolarHBondContact N-O 3Å; N151-S156 PolarHBondContact ND2-OG 2.84Å; N151-T158 PolarHBondContact ND2-OG1 3.29Å; N151-T158 WeakPolarHBondContact OD1-CB 3.37Å; N151-T158 PolarHBondContact OD1-OG1 2.92Å
152	E	97.4	Very high	98.3	Very high	132 Å²	132	55.8 Å²	55.8	62%	0.617	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.6	-179.3	-66.6	-179.7	-173.9	0	0	113.5	R135 L154	R135-E152 IonicContact CZ-OE1 3.62Å; R135-E152 IonicContact NH1-OE1 3.85Å; R135-E152 PolarHBondContact NH1-OE1 3.03Å; R135-E152 IonicContact NH2-OE1 2.78Å; R135-E152 PolarHBondContact NH2-OE1 3.2Å; E152-L154 PolarHBondContact O-N 3.5Å
153	D	97.5	Very high	98.3	Very high	81 Å²	81	55.5 Å²	55.5	43%	0.433	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.8	174.6	68.5	21	0	0	0	114	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.29Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-S155 PolarHBondContact O-N 3.02Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.26Å; D153-S155 PolarHBondContact OD1-N 3.2Å; D153-S155 PolarHBondContact OD1-OG 3.25Å; D153-S155 PolarHBondContact OD2-OG 2.77Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 3.39Å; D153-S156 PolarHBondContact OD1-OG 2.89Å; D153-S156 WeakPolarHBondContact OD2-CB 3.41Å; D153-S156 PolarHBondContact OD2-OG 3.49Å
154	L	97.9	Very high	98.3	Very high	10 Å²	10	52.6 Å²	52.6	5%	0.052	31%	0.314	C	S	.	.	S	Bend	trans	53.7	28.2	-177.2	-52.1	-178.1	0	0	0	114.1	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.14Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.83Å; L150-L154 HydrophobicContact CG-CD2 4.38Å; N151-L154 PolarHBondContact O-N 2.93Å; E152-L154 PolarHBondContact O-N 3.5Å; L154-R181 HydrophobicContact CB-CB 4.13Å; L154-R181 HydrophobicContact CB-CG 3.99Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; L154-L184 HydrophobicContact CD2-CD1 4.04Å; L154-E185 HydrophobicContact CD1-CG 4.22Å
155	S	97.7	Very high	98.3	Very high	69 Å²	69	53.5 Å²	53.5	48%	0.483	30%	0.302	S	S	.	.	S	Bend	trans	-139.1	-26.7	-175.1	69.3	0	0	0	0	113.6	D153	D153-S155 PolarHBondContact O-N 3.02Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.26Å; D153-S155 PolarHBondContact OD1-N 3.2Å; D153-S155 PolarHBondContact OD1-OG 3.25Å; D153-S155 PolarHBondContact OD2-OG 2.77Å
156	S	98.1	Very high	98.3	Very high	37 Å²	37	48.9 Å²	48.9	26%	0.259	28%	0.284	S	S	.	.			trans	-117.6	163.6	-179	69.8	0	0	0	0	112.2	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.48Å; N151-S156 WeakPolarHBondContact CB-OG 3.48Å; N151-S156 PolarHBondContact N-O 3Å; N151-S156 PolarHBondContact ND2-OG 2.84Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 3.39Å; D153-S156 PolarHBondContact OD1-OG 2.89Å; D153-S156 WeakPolarHBondContact OD2-CB 3.41Å; D153-S156 PolarHBondContact OD2-OG 3.49Å
157	W	98.7	Very high	98.3	Very high	11 Å²	11	43.5 Å²	43.5	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.9	-175.2	-61.5	92.5	0	0	0	111.6	I148 A149 L150 Q168 W171 E176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.12Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.36Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; L150-W157 HydrophobicContact CB-CE3 4.09Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.77Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.12Å; L150-W157 HydrophobicContact CD1-CZ2 3.97Å; L150-W157 HydrophobicContact CD1-CZ3 4.28Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; W157-Q168 PolarHBondContact O-NE2 3Å; W157-W171 HydrophobicContact CD2-CE3 4.1Å; W157-W171 AromaticContact CE2-CE3 3.92Å; W157-W171 AromaticContact CE3-CE3 3.9Å; W157-W171 HydrophobicContact CE3-CE3 3.9Å; W157-W171 HydrophobicContact CE3-CZ3 4.03Å; W157-W171 HydrophobicContact CH2-CD2 4.42Å; W157-W171 AromaticContact CH2-CE3 3.3Å; W157-W171 HydrophobicContact CH2-CE3 3.3Å; W157-W171 AromaticContact CH2-CZ3 3.42Å; W157-W171 HydrophobicContact CH2-CZ3 3.42Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.42Å; W157-W171 HydrophobicContact CZ2-CB 4.49Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.15Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.37Å; W157-W171 HydrophobicContact CZ3-CZ3 3.37Å; W157-E176 HydrophobicContact CZ2-CB 4.31Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å; W157-L180 HydrophobicContact CH2-CD1 3.38Å; W157-L180 HydrophobicContact CZ2-CD1 3.76Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	45.3 Å²	45.3	49%	0.485	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115	166.3	-65.4	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.29Å; I148-T158 WeakPolarHBondContact CG1-O 3.29Å; A149-T158 PolarHBondContact N-O 2.87Å; A149-T158 PolarHBondContact O-N 2.87Å; N151-T158 PolarHBondContact ND2-OG1 3.29Å; N151-T158 WeakPolarHBondContact OD1-CB 3.37Å; N151-T158 PolarHBondContact OD1-OG1 2.92Å
159	A	98.6	Very high	98.3	Very high	23 Å²	23	52.6 Å²	52.6	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.3	175	0	0	0	0	0	110.7	I148 A164 Q165 Q168	I148-A159 HydrophobicContact CG1-CB 4.46Å; A159-A164 HydrophobicContact CB-CB 3.77Å; A159-Q165 HydrophobicContact CB-CG 3.95Å; A159-Q168 HydrophobicContact CB-CB 4.43Å
160	A	98.5	Very high	98.3	Very high	61 Å²	61	56.9 Å²	56.9	50%	0.504	31%	0.305	S	S	.	.	S	Bend	trans	-74.8	-30.9	-176.7	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.41Å; D146-A160 WeakPolarHBondContact O-CB 3.35Å; Y147-A160 WeakPolarHBondContact O-CB 3.23Å; Y147-A160 PolarHBondContact O-N 3.36Å
161	D	98.3	Very high	98.3	Very high	52 Å²	52	58.5 Å²	58.5	28%	0.278	31%	0.31	S	S	.	.	S	Bend	trans	-152.1	-175.6	-177.8	66.9	30.2	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.44Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.9Å; Y109-D161 PolarHBondContact OH-OD2 3.46Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.33Å; D161-A163 WeakPolarHBondContact OD1-CA 3.45Å; D161-A163 WeakPolarHBondContact OD1-CB 3.4Å; D161-A163 PolarHBondContact OD1-N 2.89Å; D161-A164 PolarHBondContact O-N 2.93Å; D161-A164 PolarHBondContact OD1-N 3.44Å; D161-Q165 WeakPolarHBondContact O-CG 3.41Å; D161-Q165 PolarHBondContact O-N 3.24Å
162	T	98.2	Very high	98.2	Very high	112 Å²	112	61 Å²	61	69%	0.687	32%	0.321	S	S	*	.	H	α-helix	trans	-65.8	-27.5	-179.1	51.7	0	0	0	0	114
163	A	97.9	Very high	98.3	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.033	33%	0.326	C	S	.	.	H	α-helix	trans	-72.9	-45.3	175.5	0	0	0	0	0	109.9	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.85Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.33Å; D161-A163 WeakPolarHBondContact OD1-CA 3.45Å; D161-A163 WeakPolarHBondContact OD1-CB 3.4Å; D161-A163 PolarHBondContact OD1-N 2.89Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.82Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 2.95Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-33.8	174.2	0	0	0	0	0	113.1	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD1-CB 4.34Å; Y147-A164 HydrophobicContact CD2-CB 3.99Å; Y147-A164 HydrophobicContact CE1-CB 4.21Å; Y147-A164 HydrophobicContact CE2-CB 3.88Å; Y147-A164 HydrophobicContact CG-CB 4.23Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; A159-A164 HydrophobicContact CB-CB 3.77Å; D161-A164 PolarHBondContact O-N 2.93Å; D161-A164 PolarHBondContact OD1-N 3.44Å; A164-I166 PolarHBondContact O-N 3.47Å; A164-T167 WeakPolarHBondContact O-CA 3.38Å; A164-T167 WeakPolarHBondContact O-CB 3.46Å; A164-T167 PolarHBondContact O-N 3.44Å; A164-Q168 PolarHBondContact O-N 3.43Å
165	Q	98.7	Very high	98.3	Very high	78 Å²	78	64.5 Å²	64.5	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-59.7	-27.8	172.9	-75.1	174.3	10	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.95Å; D161-Q165 WeakPolarHBondContact O-CG 3.41Å; D161-Q165 PolarHBondContact O-N 3.24Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.82Å; Q165-R169 WeakPolarHBondContact O-CG 3.45Å; Q165-R169 PolarHBondContact O-N 2.86Å; Q165-R169 VanDerWaalsContact O-N 3.14Å
166	I	98.4	Very high	98.3	Very high	62 Å²	62	64.1 Å²	64.1	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-67.9	-43.8	174.1	-56.3	170.1	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.02Å; Y108-I166 HydrophobicContact CE2-CG2 4Å; Y108-I166 HydrophobicContact CG-CD1 4.28Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.44Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 2.95Å; A164-I166 PolarHBondContact O-N 3.47Å; I166-K170 WeakPolarHBondContact O-CG 3.2Å; I166-K170 PolarHBondContact O-N 3Å
167	T	98.2	Very high	98.3	Very high	13 Å²	13	62.8 Å²	62.8	8%	0.08	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-45.4	174.2	-66.8	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.12Å; I148-T167 HydrophobicContact CD1-CG2 4.26Å; A164-T167 WeakPolarHBondContact O-CA 3.38Å; A164-T167 WeakPolarHBondContact O-CB 3.46Å; A164-T167 PolarHBondContact O-N 3.44Å; T167-R169 PolarHBondContact O-N 2.86Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 2.86Å; T167-K170 VanDerWaalsContact O-N 3.09Å; T167-W171 HydrophobicContact CG2-CD2 3.62Å; T167-W171 VanDerWaalsContact CG2-CE2 3.44Å; T167-W171 HydrophobicContact CG2-CE3 4.02Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.11Å; T167-W171 HydrophobicContact CG2-CZ2 3.73Å; T167-W171 HydrophobicContact CG2-CZ3 4.25Å; T167-W171 PolarHBondContact O-N 3.25Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	67.4 Å²	67.4	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-51.6	-53.5	177.4	177.6	173.6	10.1	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.82Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; W157-Q168 PolarHBondContact O-NE2 3Å; A159-Q168 HydrophobicContact CB-CB 4.43Å; A164-Q168 PolarHBondContact O-N 3.43Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.29Å; Q168-W171 PolarHBondContact O-N 2.91Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.17Å; Q168-E172 PolarHBondContact NE2-OE1 3.22Å; Q168-E172 WeakPolarHBondContact O-CB 3.49Å; Q168-E172 WeakPolarHBondContact O-CG 3.29Å; Q168-E172 PolarHBondContact O-N 2.78Å
169	R	98.6	Very high	98.2	Very high	157 Å²	157	69.9 Å²	69.9	59%	0.592	36%	0.361	S	S	*	.	H	α-helix	trans	-59.4	-37.7	179.9	-68.2	171	-165.3	153.3	8.4	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.45Å; Q165-R169 PolarHBondContact O-N 2.86Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 2.86Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.46Å; R169-A173 PolarHBondContact O-N 3.09Å
170	K	98.1	Very high	98.1	Very high	119 Å²	119	70.5 Å²	70.5	52%	0.517	36%	0.361	S	S	.	.	H	α-helix	trans	-66.4	-45.4	177	-73.1	178	173.9	-175.5	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.25Å; I166-K170 WeakPolarHBondContact O-CG 3.2Å; I166-K170 PolarHBondContact O-N 3Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 2.86Å; T167-K170 VanDerWaalsContact O-N 3.09Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.29Å; K170-A173 PolarHBondContact O-N 3.48Å; K170-A174 VanDerWaalsContact O-CB 3.32Å; K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 2.88Å
171	W	98.2	Very high	98.1	Very high	47 Å²	47	72.7 Å²	72.7	18%	0.178	36%	0.357	C	S	.	.	H	α-helix	trans	-71.2	-35.9	-178.4	-72.9	1.3	0	0	0	112.8	Y140 I148 W157 T167 Q168 A174 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.77Å; Y140-W171 HydrophobicContact CD2-CH2 3.77Å; Y140-W171 HydrophobicContact CD2-CZ3 4Å; Y140-W171 HydrophobicContact CE1-CH2 4.17Å; Y140-W171 AromaticContact CE2-CH2 3.36Å; Y140-W171 HydrophobicContact CE2-CH2 3.36Å; Y140-W171 AromaticContact CE2-CZ3 3.64Å; Y140-W171 HydrophobicContact CE2-CZ3 3.64Å; Y140-W171 HydrophobicContact CG-CH2 4.35Å; Y140-W171 AromaticContact CZ-CH2 3.58Å; I148-W171 HydrophobicContact CD1-CE3 4.18Å; I148-W171 HydrophobicContact CD1-CZ3 4.38Å; I148-W171 HydrophobicContact CG2-CE3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.02Å; I148-W171 HydrophobicContact CG2-CZ3 3.62Å; W157-W171 HydrophobicContact CD2-CE3 4.1Å; W157-W171 AromaticContact CE2-CE3 3.92Å; W157-W171 AromaticContact CE3-CE3 3.9Å; W157-W171 HydrophobicContact CE3-CE3 3.9Å; W157-W171 HydrophobicContact CE3-CZ3 4.03Å; W157-W171 HydrophobicContact CH2-CD2 4.42Å; W157-W171 AromaticContact CH2-CE3 3.3Å; W157-W171 HydrophobicContact CH2-CE3 3.3Å; W157-W171 AromaticContact CH2-CZ3 3.42Å; W157-W171 HydrophobicContact CH2-CZ3 3.42Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.42Å; W157-W171 HydrophobicContact CZ2-CB 4.49Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.15Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.37Å; W157-W171 HydrophobicContact CZ3-CZ3 3.37Å; T167-W171 HydrophobicContact CG2-CD2 3.62Å; T167-W171 VanDerWaalsContact CG2-CE2 3.44Å; T167-W171 HydrophobicContact CG2-CE3 4.02Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.11Å; T167-W171 HydrophobicContact CG2-CZ2 3.73Å; T167-W171 HydrophobicContact CG2-CZ3 4.25Å; T167-W171 PolarHBondContact O-N 3.25Å; Q168-W171 PolarHBondContact O-N 2.91Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 3.47Å; W171-R175 PolarHBondContact O-N 2.92Å; W171-E176 HydrophobicContact CB-CB 3.98Å; W171-E176 HydrophobicContact CB-CG 3.82Å; W171-E176 HydrophobicContact CG-CB 4.21Å; W171-E176 HydrophobicContact CG-CG 3.8Å; W171-E176 PolarHBondContact O-N 2.98Å
172	E	98.5	Very high	98.1	Very high	95 Å²	95	73.3 Å²	73.3	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-46.2	171.2	-72.9	170.4	173	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.17Å; Q168-E172 PolarHBondContact NE2-OE1 3.22Å; Q168-E172 WeakPolarHBondContact O-CB 3.49Å; Q168-E172 WeakPolarHBondContact O-CG 3.29Å; Q168-E172 PolarHBondContact O-N 2.78Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 2.99Å; E172-R175 PolarHBondContact O-N 2.82Å; E172-R175 VanDerWaalsContact O-N 3.13Å
173	A	98.4	Very high	98.1	Very high	88 Å²	88	70.8 Å²	70.8	73%	0.727	35%	0.347	S	S	*	.	H	α-helix	trans	-63.2	-34.5	176.7	0	0	0	0	0	112.8	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.46Å; R169-A173 PolarHBondContact O-N 3.09Å; K170-A173 PolarHBondContact O-N 3.48Å
174	A	98	Very high	98.1	Very high	52 Å²	52	70.6 Å²	70.6	43%	0.43	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.2	176.8	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.32Å; K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 2.88Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 3.47Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 2.99Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.04Å; A174-E176 PolarHBondContact O-N 2.97Å
175	R	97.8	Very high	98.1	Very high	157 Å²	157	74.8 Å²	74.8	59%	0.592	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	37.7	-177.1	-62.9	175.9	160	-138.5	2.9	113.9	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.92Å; E172-R175 PolarHBondContact O-N 2.82Å; E172-R175 VanDerWaalsContact O-N 3.13Å; R175-A177 PolarHBondContact O-N 3.02Å; R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 VanDerWaalsContact CD-OE1 3.31Å; R175-E178 WeakPolarHBondContact CD-OE1 3.39Å; R175-E178 IonicContact CZ-OE1 3.65Å; R175-E178 IonicContact NE-OE1 2.95Å; R175-E178 IonicContact NH1-OE1 3.69Å; R175-E178 PolarHBondContact NH1-OE1 3.28Å; R175-E178 IonicContact NH1-OE2 2.65Å; R175-E178 WeakPolarHBondContact O-CB 3.29Å; R175-E178 PolarHBondContact O-N 2.78Å
176	E	97.4	Very high	98.1	Very high	61 Å²	61	72.1 Å²	72.1	29%	0.285	36%	0.358	S	S	.	.	H	α-helix	trans	-58.6	-33.2	-178.1	-66	-69.9	176.8	0	0	112.6	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.31Å; W171-E176 HydrophobicContact CB-CB 3.98Å; W171-E176 HydrophobicContact CB-CG 3.82Å; W171-E176 HydrophobicContact CG-CB 4.21Å; W171-E176 HydrophobicContact CG-CG 3.8Å; W171-E176 PolarHBondContact O-N 2.98Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.04Å; A174-E176 PolarHBondContact O-N 2.97Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 2.79Å; E176-Q179 PolarHBondContact O-N 2.91Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 2.62Å; E176-L180 VanDerWaalsContact O-N 3.09Å
177	A	98.2	Very high	98	Very high	9 Å²	9	72.5 Å²	72.5	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-33.9	178	0	0	0	0	0	112.6	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.97Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å; R175-A177 PolarHBondContact O-N 3.02Å; A177-Q179 PolarHBondContact O-N 3.19Å; A177-L180 PolarHBondContact O-N 2.81Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 3.02Å
178	E	97.8	Very high	98	Very high	107 Å²	107	71.9 Å²	71.9	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-40.9	178.7	-63.7	178.2	-166.5	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 VanDerWaalsContact CD-OE1 3.31Å; R175-E178 WeakPolarHBondContact CD-OE1 3.39Å; R175-E178 IonicContact CZ-OE1 3.65Å; R175-E178 IonicContact NE-OE1 2.95Å; R175-E178 IonicContact NH1-OE1 3.69Å; R175-E178 PolarHBondContact NH1-OE1 3.28Å; R175-E178 IonicContact NH1-OE2 2.65Å; R175-E178 WeakPolarHBondContact O-CB 3.29Å; R175-E178 PolarHBondContact O-N 2.78Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 2.79Å; E178-A182 WeakPolarHBondContact O-CB 3.34Å; E178-A182 PolarHBondContact O-N 3.25Å
179	Q	96.7	Very high	98	Very high	131 Å²	131	70.3 Å²	70.3	61%	0.612	35%	0.35	S	S	*	.	H	α-helix	trans	-69.2	-43.4	177.9	-61.3	-173.5	14.9	0	0	111.6	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 2.91Å; A177-Q179 PolarHBondContact O-N 3.19Å; Q179-A182 PolarHBondContact O-N 3.26Å; Q179-Y183 PolarHBondContact O-N 3.38Å
180	L	97.8	Very high	98	Very high	36 Å²	36	68.6 Å²	68.6	19%	0.188	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-43.4	178.1	-69.4	171.9	0	0	0	111.5	N138 L150 W157 E176 A177 A182 Y183 L184	N138-L180 WeakPolarHBondContact ND2-CD1 3.4Å; N138-L180 WeakPolarHBondContact ND2-CD2 3.23Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; W157-L180 HydrophobicContact CH2-CD1 3.38Å; W157-L180 HydrophobicContact CZ2-CD1 3.76Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 2.62Å; E176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 2.81Å; L180-A182 PolarHBondContact O-N 2.81Å; L180-Y183 PolarHBondContact O-N 3.16Å; L180-L184 WeakPolarHBondContact O-CB 3.27Å; L180-L184 WeakPolarHBondContact O-CG 2.96Å; L180-L184 PolarHBondContact O-N 2.87Å
181	R	98.3	Very high	98	Very high	108 Å²	108	65.6 Å²	65.6	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-57.9	-48.1	174.1	-179.2	-179.7	174.7	157.7	14.3	111.4	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.13Å; L154-R181 HydrophobicContact CB-CG 3.99Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 3.02Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.96Å; R181-L184 PolarHBondContact O-N 3.33Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.07Å; R181-E185 IonicContact CZ-OE1 3.51Å; R181-E185 IonicContact CZ-OE2 3.63Å; R181-E185 VanDerWaalsContact NE-CD 3.25Å; R181-E185 IonicContact NE-OE1 3.55Å; R181-E185 PolarHBondContact NE-OE1 2.92Å; R181-E185 IonicContact NE-OE2 3.01Å; R181-E185 PolarHBondContact NE-OE2 2.85Å; R181-E185 IonicContact NH2-OE1 2.81Å; R181-E185 PolarHBondContact NH2-OE1 3.07Å; R181-E185 IonicContact NH2-OE2 3.41Å; R181-E185 WeakPolarHBondContact O-CB 3.04Å; R181-E185 PolarHBondContact O-N 2.99Å
182	A	98.3	Very high	98	Very high	64 Å²	64	63.4 Å²	63.4	53%	0.529	33%	0.326	S	S	.	.	H	α-helix	trans	-59.7	-38.8	178.4	0	0	0	0	0	112.5	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.34Å; E178-A182 PolarHBondContact O-N 3.25Å; Q179-A182 PolarHBondContact O-N 3.26Å; L180-A182 PolarHBondContact O-N 2.81Å; A182-G186 PolarHBondContact O-N 3.18Å; A182-G186 VanDerWaalsContact O-N 3.15Å
183	Y	98.1	Very high	97.9	Very high	59 Å²	59	64.5 Å²	64.5	23%	0.231	33%	0.326	C	S	.	.	I	π-helix	trans	-66.1	-47.7	173.4	171.4	-96.1	0	0	0	112.3	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.73Å; Y123-Y183 HydrophobicContact CE2-CE1 3.73Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å; Q179-Y183 PolarHBondContact O-N 3.38Å; L180-Y183 PolarHBondContact O-N 3.16Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.96Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.86Å; Y183-L187 HydrophobicContact CD2-CB 3.85Å; Y183-L187 HydrophobicContact CD2-CD1 4.15Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 3.38Å; Y183-L187 VanDerWaalsContact O-N 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.48Å; Y183-C188 PolarHBondContact O-N 3.2Å
184	L	98.4	Very high	97.9	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	31%	0.314	C	S	.	.	I	π-helix	trans	-69.4	-40.7	-174.6	-70.1	171	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.35Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å; L154-L184 HydrophobicContact CD2-CD1 4.04Å; L180-L184 WeakPolarHBondContact O-CB 3.27Å; L180-L184 WeakPolarHBondContact O-CG 2.96Å; L180-L184 PolarHBondContact O-N 2.87Å; R181-L184 PolarHBondContact O-N 3.33Å; L184-V189 WeakPolarHBondContact O-CG2 3.41Å
185	E	98	Very high	97.9	Very high	87 Å²	87	63.7 Å²	63.7	41%	0.407	29%	0.293	S	S	.	.	I	π-helix	trans	-77.2	-25.4	177.5	-70.5	179.4	160.1	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.36Å; L133-E185 HydrophobicContact CD2-CG 3.62Å; L154-E185 HydrophobicContact CD1-CG 4.22Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.07Å; R181-E185 IonicContact CZ-OE1 3.51Å; R181-E185 IonicContact CZ-OE2 3.63Å; R181-E185 VanDerWaalsContact NE-CD 3.25Å; R181-E185 IonicContact NE-OE1 3.55Å; R181-E185 PolarHBondContact NE-OE1 2.92Å; R181-E185 IonicContact NE-OE2 3.01Å; R181-E185 PolarHBondContact NE-OE2 2.85Å; R181-E185 IonicContact NH2-OE1 2.81Å; R181-E185 PolarHBondContact NH2-OE1 3.07Å; R181-E185 IonicContact NH2-OE2 3.41Å; R181-E185 WeakPolarHBondContact O-CB 3.04Å; R181-E185 PolarHBondContact O-N 2.99Å
186	G	97.8	Very high	97.8	Very high	22 Å²	22	56.9 Å²	56.9	23%	0.227	27%	0.269	C	S	.	.	I	π-helix	trans	-107.4	-92.9	-177.9	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.18Å; A182-G186 VanDerWaalsContact O-N 3.15Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.86Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.14Å; G186-V189 PolarHBondContact O-N 3.34Å; G186-V189 VanDerWaalsContact O-N 3.1Å; G186-E190 WeakPolarHBondContact O-CG 3.48Å; G186-E190 PolarHBondContact O-N 2.94Å
187	L	97.6	Very high	97.8	Very high	70 Å²	70	59.8 Å²	59.8	37%	0.366	28%	0.282	S	S	.	.	I	π-helix	trans	-55.2	-40.4	-169.4	-70.7	176.5	0	0	0	113.5	Y183 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.85Å; Y183-L187 HydrophobicContact CD2-CD1 4.15Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 3.38Å; Y183-L187 VanDerWaalsContact O-N 3.12Å; L187-E190 PolarHBondContact O-N 2.88Å; L187-W191 WeakPolarHBondContact O-CB 3.38Å; L187-W191 PolarHBondContact O-N 2.7Å
188	C	98.4	Very high	97.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-60.2	-49.1	179.2	-172.9	0	0	0	0	111.2	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.25Å; M29-C188 WeakPolarHBondContact CE-O 3.41Å; M29-C188 VanDerWaalsContact CE-SG 3.56Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 3.31Å; C125-C188 WeakPolarHBondContact SG-CB 3.15Å; C125-C188 PolarHBondContact SG-O 2.84Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.86Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.48Å; Y183-C188 PolarHBondContact O-N 3.2Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.14Å; C188-W191 PolarHBondContact O-N 3.29Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 2.76Å
189	V	98.4	Very high	97.6	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-42	179.6	173.9	0	0	0	0	111.2	C125 V127 G131 L133 L184 G186 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.39Å; V127-V189 HydrophobicContact CG1-CB 4.44Å; V127-V189 HydrophobicContact CG1-CG1 4.01Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; G131-V189 WeakPolarHBondContact O-CG1 3.47Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.8Å; L133-V189 HydrophobicContact CG-CG2 4.5Å; L184-V189 WeakPolarHBondContact O-CG2 3.41Å; G186-V189 PolarHBondContact O-N 3.34Å; G186-V189 VanDerWaalsContact O-N 3.1Å; V189-L192 PolarHBondContact O-N 3.29Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.28Å; V189-R193 PolarHBondContact O-N 2.98Å
190	E	98.1	Very high	97.5	Very high	120 Å²	120	55.6 Å²	55.6	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-60.2	-47.4	177.4	-71.8	176.6	179.1	0	0	112	G186 L187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.48Å; G186-E190 PolarHBondContact O-N 2.94Å; L187-E190 PolarHBondContact O-N 2.88Å; E190-R193 PolarHBondContact O-N 2.9Å; E190-R194 PolarHBondContact O-N 2.76Å
191	W	98.1	Very high	97.2	Very high	57 Å²	57	61.8 Å²	61.8	22%	0.216	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-42.3	177.6	-83.1	110.4	0	0	0	112.4	M29 Y83 L187 C188 R193 R194 H195	M29-W191 HydrophobicContact CE-CB 3.93Å; M29-W191 HydrophobicContact SD-CB 4.37Å; Y83-W191 AromaticContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CH2 3.5Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CZ2 4.08Å; Y83-W191 AromaticContact CD2-CZ3 3.92Å; Y83-W191 HydrophobicContact CD2-CZ3 3.92Å; Y83-W191 HydrophobicContact CE2-CE3 4.35Å; Y83-W191 AromaticContact CE2-CH2 3.79Å; Y83-W191 HydrophobicContact CE2-CH2 3.79Å; Y83-W191 HydrophobicContact CE2-CZ2 4.29Å; Y83-W191 AromaticContact CE2-CZ3 3.82Å; Y83-W191 HydrophobicContact CE2-CZ3 3.82Å; L187-W191 WeakPolarHBondContact O-CB 3.38Å; L187-W191 PolarHBondContact O-N 2.7Å; C188-W191 PolarHBondContact O-N 3.29Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.85Å; W191-R194 PolarHBondContact O-N 3.25Å; W191-H195 AromaticContact CE3-CE1 3.48Å; W191-H195 VanDerWaalsContact CE3-CE1 3.48Å; W191-H195 AromaticContact CE3-NE2 3.86Å; W191-H195 AromaticContact CZ3-CE1 3.95Å; W191-H195 WeakPolarHBondContact O-CB 3.36Å; W191-H195 PolarHBondContact O-CD2 2.88Å; W191-H195 PolarHBondContact O-N 3.08Å
192	L	98.4	Very high	97	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-46.9	175.9	174.7	53.1	0	0	0	111.1	H27 M29 V52 V127 C188 V189 R194 H195 L196	H27-L192 HydrophobicContact CB-CD1 4.43Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 3.99Å; M29-L192 HydrophobicContact CB-CD2 4.17Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.39Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.87Å; V127-L192 HydrophobicContact CG2-CD2 3.63Å; V127-L192 HydrophobicContact CG2-CG 4.29Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 2.76Å; V189-L192 PolarHBondContact O-N 3.29Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 3.42Å; L192-H195 PolarHBondContact O-N 3.37Å; L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 WeakPolarHBondContact O-CB 3.06Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.85Å
193	R	97.1	Very high	96.8	Very high	119 Å²	119	55.8 Å²	55.8	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-59.3	-44.1	176.1	-71.8	173.7	-176.9	-178	0.1	112.2	G131 V189 E190 W191 L196 E197	G131-R193 VanDerWaalsContact O-CZ 3.22Å; G131-R193 PolarHBondContact O-NE 3.13Å; G131-R193 PolarHBondContact O-NH2 2.97Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.28Å; V189-R193 PolarHBondContact O-N 2.98Å; E190-R193 PolarHBondContact O-N 2.9Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 3.45Å; R193-E197 PolarHBondContact O-N 2.86Å
194	R	97.2	Very high	96.5	Very high	123 Å²	123	57.4 Å²	57.4	46%	0.464	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-45.1	176	179.1	179.6	174.2	115.5	-6	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.99Å; E79-R194 IonicContact OE1-NE 3.15Å; E79-R194 PolarHBondContact OE1-NE 3.17Å; E79-R194 IonicContact OE1-NH2 3.38Å; E79-R194 PolarHBondContact OE1-NH2 3.06Å; E79-R194 IonicContact OE2-CZ 3.82Å; E79-R194 IonicContact OE2-NE 3.76Å; E79-R194 IonicContact OE2-NH2 3.73Å; E79-R194 PolarHBondContact OE2-NH2 2.8Å; E190-R194 PolarHBondContact O-N 2.76Å; W191-R194 PolarHBondContact O-N 3.25Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 3.42Å; R194-E197 PolarHBondContact O-N 2.73Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 3.27Å; R194-N198 PolarHBondContact O-OD1 3.11Å
195	H	97.5	Very high	96.2	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-39.8	178.5	-65.4	-21.5	0	0	0	112.2	V52 F57 W75 I76 W191 L192 E197 N198 G199 L203	V52-H195 HydrophobicContact CG2-CB 4.06Å; F57-H195 AromaticContact CE2-NE2 3.72Å; W75-H195 HydrophobicContact CE3-CB 4.39Å; W75-H195 HydrophobicContact CH2-CB 4.03Å; W75-H195 HydrophobicContact CZ3-CB 3.65Å; W75-H195 AromaticContact CZ3-CG 3.62Å; W75-H195 AromaticContact CZ3-ND1 3.78Å; I76-H195 WeakPolarHBondContact CD1-CE1 3.44Å; W191-H195 AromaticContact CE3-CE1 3.48Å; W191-H195 VanDerWaalsContact CE3-CE1 3.48Å; W191-H195 AromaticContact CE3-NE2 3.86Å; W191-H195 AromaticContact CZ3-CE1 3.95Å; W191-H195 WeakPolarHBondContact O-CB 3.36Å; W191-H195 PolarHBondContact O-CD2 2.88Å; W191-H195 PolarHBondContact O-N 3.08Å; L192-H195 PolarHBondContact O-N 3.37Å; H195-E197 VanDerWaalsContact C-N 3.34Å; H195-E197 PolarHBondContact O-N 3.15Å; H195-N198 PolarHBondContact O-N 3.41Å; H195-G199 WeakPolarHBondContact O-CA 3.39Å; H195-G199 PolarHBondContact O-N 3.39Å; H195-L203 WeakPolarHBondContact O-CD1 3.17Å
196	L	96.6	Very high	96.1	Very high	14 Å²	14	60.3 Å²	60.3	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-37	175.3	-71.7	169.8	0	0	0	112.7	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.22Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 WeakPolarHBondContact O-CB 3.06Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 3.45Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.09Å; L196-K200 PolarHBondContact O-N 2.63Å; L196-K200 VanDerWaalsContact O-N 3.09Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 HydrophobicContact CD2-CG 4.47Å; L196-Q204 PolarHBondContact O-NE2 3.46Å
197	E	96.3	Very high	96	Very high	121 Å²	121	61 Å²	61	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-71.1	-49.1	174.8	-173.7	58.7	-153.8	0	0	111	R193 R194 H195 G199 K200	R193-E197 PolarHBondContact O-N 2.86Å; R194-E197 PolarHBondContact O-N 2.73Å; H195-E197 VanDerWaalsContact C-N 3.34Å; H195-E197 PolarHBondContact O-N 3.15Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.85Å; E197-K200 WeakPolarHBondContact O-CB 3.31Å; E197-K200 PolarHBondContact O-N 2.9Å
198	N	96.8	Very high	96	Very high	51 Å²	51	60.8 Å²	60.8	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-58.7	-38.9	178.2	-78.5	1.6	0	0	0	113	W75 Q78 E79 R194 H195	W75-N198 WeakPolarHBondContact CB-O 3.48Å; Q78-N198 PolarHBondContact NE2-ND2 3.37Å; E79-N198 PolarHBondContact OE1-ND2 3.06Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 3.27Å; R194-N198 PolarHBondContact O-OD1 3.11Å; H195-N198 PolarHBondContact O-N 3.41Å
199	G	96	Very high	96	Very high	3 Å²	3	61.2 Å²	61.2	3%	0.031	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	13.9	-176.3	0	0	0	0	0	114.2	H195 E197 E201 T202 L203	H195-G199 WeakPolarHBondContact O-CA 3.39Å; H195-G199 PolarHBondContact O-N 3.39Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.85Å; G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 2.86Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.5Å; G199-T202 WeakPolarHBondContact O-CA 3.12Å; G199-T202 PolarHBondContact O-N 3.13Å; G199-T202 PolarHBondContact O-OG1 2.75Å; G199-L203 PolarHBondContact O-N 3.1Å
200	K	94.4	Very high	96	Very high	105 Å²	105	68.3 Å²	68.3	46%	0.457	32%	0.316	S	S	.	.	H	α-helix	trans	-49.1	-44.5	-168.8	-178.4	173.1	-174.5	172.1	0	115.1	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.09Å; L196-K200 PolarHBondContact O-N 2.63Å; L196-K200 VanDerWaalsContact O-N 3.09Å; E197-K200 WeakPolarHBondContact O-CB 3.31Å; E197-K200 PolarHBondContact O-N 2.9Å; K200-T202 PolarHBondContact O-N 3.06Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-Q204 PolarHBondContact O-N 3.26Å
201	E	92.6	Very high	96	Very high	166 Å²	166	64.3 Å²	64.3	78%	0.776	30%	0.3	S	S	*	.	H	α-helix	trans	-62.4	-23.2	179.8	-62.1	-172.6	163.1	0	0	113.6	G199 R205	G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 2.86Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 PolarHBondContact O-NH1 3.36Å
202	T	92.7	Very high	96	Very high	43 Å²	43	65.3 Å²	65.3	26%	0.264	31%	0.307	S	S	.	.	H	α-helix	trans	-101.3	-68.6	177.4	56.6	0	0	0	0	110.2	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.5Å; G199-T202 WeakPolarHBondContact O-CA 3.12Å; G199-T202 PolarHBondContact O-N 3.13Å; G199-T202 PolarHBondContact O-OG1 2.75Å; K200-T202 PolarHBondContact O-N 3.06Å; K200-T202 VanDerWaalsContact O-N 3.16Å; T202-Q204 VanDerWaalsContact C-N 3.33Å; T202-Q204 PolarHBondContact O-N 3.02Å; T202-R205 WeakPolarHBondContact O-CB 3.42Å; T202-R205 PolarHBondContact O-N 3.32Å; T202-R263 VanDerWaalsContact CA-NH1 3.3Å; T202-R263 VanDerWaalsContact CB-NH1 3.3Å; T202-R263 VanDerWaalsContact O-CZ 3.3Å; T202-R263 PolarHBondContact O-NH1 2.91Å; T202-R263 PolarHBondContact O-NH2 3.3Å
203	L	93.4	Very high	96	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-35.1	-167.6	-63.1	172.3	0	0	0	113.9	V52 T55 W75 H195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.36Å; H195-L203 WeakPolarHBondContact O-CD1 3.17Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 PolarHBondContact O-N 3.1Å; L203-R205 VanDerWaalsContact C-N 3.33Å
204	Q	92.1	Very high	96	Very high	92 Å²	92	62.3 Å²	62.3	43%	0.43	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	11.7	179.9	-58.4	180	35.4	0	0	112.7	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.47Å; L196-Q204 PolarHBondContact O-NE2 3.46Å; K200-Q204 PolarHBondContact O-N 3.26Å; T202-Q204 VanDerWaalsContact C-N 3.33Å; T202-Q204 PolarHBondContact O-N 3.02Å
205	R	93.3	Very high	95.9	Very high	119 Å²	119	59 Å²	59	45%	0.449	29%	0.291	S	S	.	.			trans	-104.4	117.6	176.6	-169.7	-176.8	79	-147.4	3.4	110	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 3.36Å; T202-R205 WeakPolarHBondContact O-CB 3.42Å; T202-R205 PolarHBondContact O-N 3.32Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-D207 IonicContact CZ-OD1 2.8Å; R205-D207 IonicContact CZ-OD2 3.78Å; R205-D207 IonicContact NE-OD1 3.71Å; R205-D207 PolarHBondContact NE-OD1 3.24Å; R205-D207 IonicContact NE-OD2 3.16Å; R205-D207 IonicContact NH2-OD1 3.35Å; R205-D207 IonicContact NH2-OD2 3.7Å; R205-D207 PolarHBondContact NH2-OD2 2.81Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å
206	A	95.3	Very high	95.8	Very high	31 Å²	31	62.9 Å²	62.9	26%	0.256	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-87.1	126	167	0	0	0	0	0	110.1	Y233 E288	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.48Å; A206-E288 HydrophobicContact CB-CB 4.34Å; A206-E288 HydrophobicContact CB-CG 4.37Å
207	D	96.6	Very high	95.7	Very high	37 Å²	37	66.9 Å²	66.9	20%	0.198	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-100.3	116.8	175.5	-67.7	-32.8	0	0	0	107.8	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 2.8Å; R205-D207 IonicContact CZ-OD2 3.78Å; R205-D207 IonicContact NE-OD1 3.71Å; R205-D207 PolarHBondContact NE-OD1 3.24Å; R205-D207 IonicContact NE-OD2 3.16Å; R205-D207 IonicContact NH2-OD1 3.35Å; R205-D207 IonicContact NH2-OD2 3.7Å; R205-D207 PolarHBondContact NH2-OD2 2.81Å; D207-F232 CarbonylContact O-C 3.6Å; D207-F232 WeakPolarHBondContact O-CA 3.42Å; D207-F232 WeakPolarHBondContact O-CB 3.25Å; D207-Y233 PolarHBondContact N-O 3.23Å; D207-Y233 PolarHBondContact O-N 2.92Å; D207-H287 PolarHBondContact O-CE1 2.92Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å
208	P	97.7	Very high	95.4	Very high	64 Å²	64	65.6 Å²	65.6	42%	0.416	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-70.4	150.2	-176.1	24.9	-32.6	0	0	0	112.9	K210 L290	P208-K210 PolarHBondContact O-N 2.91Å; P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.45Å
209	P	98.3	Very high	95.2	Very high	9 Å²	9	65.7 Å²	65.7	6%	0.058	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-68.7	133.1	179.4	28.6	-35.3	0	0	0	112.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.76Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.12Å; P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.11Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	98.4	Very high	94.9	Very high	157 Å²	157	72.7 Å²	72.7	68%	0.683	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	112.8	162.9	-63.8	172.6	-173.9	169	0	108	P208 L230	P208-K210 PolarHBondContact O-N 2.91Å; K210-L230 PolarHBondContact N-O 3.01Å; K210-L230 PolarHBondContact O-N 3.14Å
211	T	98.2	Very high	94.9	Very high	36 Å²	36	74.7 Å²	74.7	22%	0.221	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.6	-171.6	51.7	0	0	0	0	112.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.76Å; T211-W228 WeakPolarHBondContact CA-O 3.25Å; T211-A229 HydrophobicContact CG2-CB 4.27Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; T211-L294 HydrophobicContact CG2-CD1 4.33Å; T211-L296 HydrophobicContact CG2-CD1 4.48Å
212	H	97.3	Very high	95	Very high	78 Å²	78	71.2 Å²	71.2	36%	0.361	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	158.8	172	64.1	-75.1	0	0	0	110.6	W228	H212-W228 WeakPolarHBondContact CE1-CB 3.46Å; H212-W228 AromaticContact CE1-CD1 3.9Å; H212-W228 AromaticContact CE1-CG 3.66Å; H212-W228 PolarHBondContact N-O 3.09Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.33Å
213	V	98.2	Very high	95.1	Very high	22 Å²	22	69.1 Å²	69.1	13%	0.133	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.2	176.3	-179.4	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.42Å; V213-R226 WeakPolarHBondContact CA-O 3.27Å; V213-C227 HydrophobicContact CG2-CB 4.41Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.79Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	96.9	Very high	95.3	Very high	33 Å²	33	70 Å²	70	20%	0.202	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.8	175.3	53.9	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.89Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; T214-L225 WeakPolarHBondContact O-CA 3.45Å; T214-R226 PolarHBondContact N-O 3.47Å; T214-R226 PolarHBondContact O-N 3.42Å; T214-R226 WeakPolarHBondContact OG1-CB 3.34Å; T214-R226 PolarHBondContact OG1-O 3.15Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; T214-W228 PolarHBondContact OG1-NE1 2.76Å
215	H	96.1	Very high	95.6	Very high	53 Å²	53	65.6 Å²	65.6	25%	0.245	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.7	-179.4	168.8	-91.3	0	0	0	109.5	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; H215-E278 IonicContact NE2-OE1 3.51Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.99Å
216	H	94.8	Very high	95.9	Very high	82 Å²	82	62.3 Å²	62.3	38%	0.38	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	106.6	-179.4	-58.9	84.3	0	0	0	108.9	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 2.89Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; H216-V218 PolarHBondContact O-N 3.43Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; H216-T224 PolarHBondContact N-O 3.32Å; H216-T224 PolarHBondContact O-N 2.87Å; H216-R226 PolarHBondContact CE1-NH1 2.91Å
217	P	93.7	Very high	96	Very high	99 Å²	99	60.9 Å²	60.9	64%	0.643	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	131.5	172.5	-20	30.5	0	0	0	110.6
218	V	91.3	Very high	96.1	Very high	93 Å²	93	61.5 Å²	61.5	56%	0.564	32%	0.319	S	S	*	.			trans	-104.9	-41.1	176	-179	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.43Å; V218-E222 PolarHBondContact N-O 3.29Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.17Å
219	S	92.1	Very high	96.1	Very high	53 Å²	53	58.5 Å²	58.5	37%	0.371	30%	0.3	S	S	.	.	S	Bend	trans	-147.6	-178.7	175	72.1	0	0	0	0	110.5	H221 E222	S219-H221 PolarHBondContact O-N 3Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 3.06Å; S219-E222 PolarHBondContact N-O 3.26Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 2.74Å
220	D	90	Very high	96.2	Very high	151 Å²	151	60.6 Å²	60.6	81%	0.807	31%	0.31	S	S	*	.	S	Bend	trans	-65.6	-10.9	172.6	-65.7	-21.3	0	0	0	113.3
221	H	93.1	Very high	96.1	Very high	147 Å²	147	54.3 Å²	54.3	68%	0.681	29%	0.29	S	S	*	.	S	Bend	trans	-116.3	-15.1	-175.4	-56.3	-43	0	0	0	113.3	S219 P274 S275	S219-H221 PolarHBondContact O-N 3Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 3.06Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; H221-S275 PolarHBondContact O-N 3.39Å; H221-S275 PolarHBondContact O-OG 3.29Å
222	E	95.2	Very high	96.1	Very high	92 Å²	92	52.6 Å²	52.6	43%	0.43	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.8	-171.3	-66.2	-178.8	164	0	0	112.3	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.29Å; S219-E222 PolarHBondContact N-O 3.26Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 2.74Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.31Å; E222-S275 PolarHBondContact N-OG 2.8Å
223	A	96	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.1	171	0	0	0	0	0	110.7	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; A223-V273 HydrophobicContact CB-CG2 4.44Å; A223-V273 PolarHBondContact N-O 2.93Å; A223-V273 WeakPolarHBondContact O-CG2 3.49Å; A223-V273 PolarHBondContact O-N 3.17Å
224	T	97.6	Very high	96	Very high	21 Å²	21	48.8 Å²	48.8	13%	0.129	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.3	170.1	-54.7	0	0	0	0	109.6	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.32Å; H216-T224 PolarHBondContact O-N 2.87Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.17Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.33Å
225	L	98.1	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.2	164.9	-64	-175.3	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.42Å; T214-L225 WeakPolarHBondContact O-CA 3.45Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 2.8Å; L225-V271 PolarHBondContact O-N 3.41Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98.4	Very high	96	Very high	51 Å²	51	51.2 Å²	51.2	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.2	176.4	-179.2	-178.5	-62.6	113.2	2.8	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.27Å; T214-R226 PolarHBondContact N-O 3.47Å; T214-R226 PolarHBondContact O-N 3.42Å; T214-R226 WeakPolarHBondContact OG1-CB 3.34Å; T214-R226 PolarHBondContact OG1-O 3.15Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; H216-R226 PolarHBondContact CE1-NH1 2.91Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.45Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227	C	98.4	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.7	175.2	-173.4	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.41Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.04Å; C227-W268 WeakPolarHBondContact O-CB 3.06Å; C227-A269 PolarHBondContact N-O 3.48Å; C227-A269 PolarHBondContact O-N 2.04Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.3Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.12Å
228	W	98.5	Very high	96.3	Very high	51 Å²	51	45.3 Å²	45.3	19%	0.193	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.8	-179.8	-70.1	90.1	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.25Å; H212-W228 WeakPolarHBondContact CE1-CB 3.46Å; H212-W228 AromaticContact CE1-CD1 3.9Å; H212-W228 AromaticContact CE1-CG 3.66Å; H212-W228 PolarHBondContact N-O 3.09Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.33Å; T214-W228 PolarHBondContact OG1-NE1 2.76Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.6	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.3	162.3	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.27Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.37Å; A229-K267 PolarHBondContact N-O 3.42Å; A229-K267 PolarHBondContact O-N 2.86Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.5	Very high	96.9	Very high	53 Å²	53	40.6 Å²	40.6	28%	0.277	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.7	-174.8	-58.9	176.5	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.01Å; K210-L230 PolarHBondContact O-N 3.14Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-F232 PolarHBondContact O-N 3.13Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.9	Very high	97.3	Very high	25 Å²	25	33.5 Å²	33.5	26%	0.258	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.8	29.3	167.6	0	0	0	0	0	114.1	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; G231-F265 PolarHBondContact N-O 3.14Å
232	F	98.2	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	155.3	-179	59.4	-89.1	0	0	0	112.9	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.6Å; D207-F232 WeakPolarHBondContact O-CA 3.42Å; D207-F232 WeakPolarHBondContact O-CB 3.25Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.12Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; L230-F232 PolarHBondContact O-N 3.13Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.38Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.56Å; F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.14Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.28Å; F232-F265 PolarHBondContact O-N 2.9Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	96.9	Very high	97.7	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-149.7	136.8	172	178.2	-82	0	0	0	108.8	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.91Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 2.85Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.48Å; D207-Y233 PolarHBondContact N-O 3.23Å; D207-Y233 PolarHBondContact O-N 2.92Å; Y233-R263 HydrophobicContact CD2-CG 3.91Å; Y233-R263 HydrophobicContact CE2-CG 4.09Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; Y233-H287 PolarHBondContact O-CE1 3.37Å
234	P	96.3	Very high	97.6	Very high	17 Å²	17	32.1 Å²	32.1	11%	0.11	17%	0.166	C	C	.	.	S	Bend	cis	-72.2	179.4	2.2	30.5	-36.5	0	0	0	113.2	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.36Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; P234-E236 VanDerWaalsContact C-N 3.34Å; P234-H287 PolarHBondContact O-NE2 3.47Å; P234-E288 WeakPolarHBondContact CG-OE2 3.23Å
235	A	97.1	Very high	97.4	Very high	15 Å²	15	33.4 Å²	33.4	12%	0.124	18%	0.184	C	C	.	.	S	Bend	trans	-70.4	-27.5	-175.7	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.37Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 2.98Å; A235-I237 PolarHBondContact O-N 3.01Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.41Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.65Å
236	E	96.3	Very high	97.2	Very high	121 Å²	121	40.3 Å²	40.3	57%	0.565	22%	0.216	S	C	*	.			trans	-62.1	122.2	178.4	-168.8	57.2	-145.9	0	0	109.4	W23 P234 H287	W23-E236 HydrophobicContact CH2-CB 4.11Å; W23-E236 HydrophobicContact CH2-CG 3.5Å; W23-E236 HydrophobicContact CZ2-CG 4Å; W23-E236 HydrophobicContact CZ3-CB 4Å; W23-E236 HydrophobicContact CZ3-CG 3.83Å; W23-E236 VanDerWaalsContact CZ3-O 3.27Å; W23-E236 WeakPolarHBondContact CZ3-O 3.41Å; P234-E236 VanDerWaalsContact C-N 3.34Å; E236-H287 PolarHBondContact O-CD2 3.22Å
237	I	97.3	Very high	97.1	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.051	23%	0.231	C	C	.	.			trans	-158.1	142.7	-177.8	-164.4	172	0	0	0	109.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.38Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.56Å; A235-I237 PolarHBondContact O-N 3.01Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; I237-H287 HydrophobicContact CD1-CB 4.37Å; I237-H287 HydrophobicContact CG1-CB 4.11Å
238	T	97.6	Very high	96.9	Very high	47 Å²	47	43.6 Å²	43.6	29%	0.288	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.9	176	-57.1	0	0	0	0	110.1	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; T238-Q286 PolarHBondContact N-O 3.23Å; T238-Q286 PolarHBondContact O-N 2.87Å
239	L	97.9	Very high	96.5	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122	172.5	-86.8	63.3	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.1Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	97.7	Very high	96.1	Very high	42 Å²	42	55.3 Å²	55.3	26%	0.258	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146	175.9	58.4	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; T240-H284 PolarHBondContact N-O 3.41Å; T240-H284 PolarHBondContact O-N 3.41Å
241	W	98.3	Very high	95.5	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.4	168.7	-82.4	105.7	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.43Å; W241-A269 PolarHBondContact NE1-O 2.8Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.04Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; W241-T282 WeakPolarHBondContact CA-O 3.39Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.17Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	98	Very high	95.4	Very high	41 Å²	41	58.1 Å²	58.1	19%	0.192	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146	171.1	-69.9	-173.6	-7.5	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.46Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 2.64Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; Q242-T282 PolarHBondContact N-O 3.34Å; Q242-T282 PolarHBondContact O-N 2.86Å; Q242-H284 PolarHBondContact OE1-NE2 3.03Å
243	R	97.5	Very high	95.3	Very high	69 Å²	69	63.6 Å²	63.6	26%	0.26	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.6	168.4	-176.3	-172.4	-176.3	178.8	-0.1	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.96Å; R243-E246 PolarHBondContact N-O 3.37Å; R243-E246 PolarHBondContact O-N 2.87Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; R243-E277 IonicContact CZ-OE2 3.56Å; R243-E277 IonicContact NE-OE2 2.82Å; R243-E277 IonicContact NH2-OE1 3.43Å; R243-E277 IonicContact NH2-OE2 3.6Å; R243-E277 PolarHBondContact NH2-OE2 2.91Å; R243-R280 WeakPolarHBondContact CA-O 3.46Å; R243-R280 HydrophobicContact CG-CB 4.39Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 WeakPolarHBondContact CD-OH 3.41Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244	D	95.5	Very high	95.3	Very high	99 Å²	99	67.8 Å²	67.8	53%	0.529	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	28.6	-175.4	-52.5	-53.6	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.44Å; D244-R280 IonicContact OD1-NE 3.75Å; D244-R280 PolarHBondContact OD1-NE 3.47Å; D244-R280 IonicContact OD2-CZ 3.92Å; D244-R280 IonicContact OD2-NE 3.53Å; D244-R280 PolarHBondContact OD2-NE 2.98Å; D244-R280 IonicContact OD2-NH2 2.67Å; D244-R280 PolarHBondContact OD2-NH2 3.41Å
245	G	91.8	Very high	95.3	Very high	49 Å²	49	68.6 Å²	68.6	51%	0.505	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-0.9	-177.7	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 2.96Å
246	E	95.6	Very high	95.3	Very high	145 Å²	145	76 Å²	76	68%	0.678	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.7	176	-63.1	-173	169.5	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.46Å; R243-E246 PolarHBondContact N-O 3.37Å; R243-E246 PolarHBondContact O-N 2.87Å; E246-Q248 PolarHBondContact O-NE2 2.86Å
247	D	95.4	Very high	95.4	Very high	94 Å²	94	72.4 Å²	72.4	50%	0.503	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	134.2	-179.4	-70.1	-25.5	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 2.64Å
248	Q	95.1	Very high	95.4	Very high	25 Å²	25	76.7 Å²	76.7	12%	0.117	40%	0.397	C	S	.	.			trans	-104.4	38.5	-177.6	-57.9	-60.9	-70.5	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.43Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 2.86Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.87Å; Q248-D251 PolarHBondContact O-N 2.85Å; Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 3.16Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 3.3Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å
249	T	89.1	Confident	95.4	Very high	106 Å²	106	79 Å²	79	65%	0.65	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-36.7	-169.3	-47.4	0	0	0	0	113.9
250	Q	89.3	Confident	95.4	Very high	191 Å²	191	81 Å²	81	89%	0.893	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-31.3	-178.5	-66.5	-173.7	2.9	0	0	113.1	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.87Å
251	D	87.3	Confident	95.1	Very high	113 Å²	113	82.8 Å²	82.8	60%	0.604	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	1.1	-177.7	-56.3	-53.8	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 2.85Å
252	T	95.1	Very high	94.9	Very high	24 Å²	24	87.8 Å²	87.8	15%	0.147	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.4	179.8	-64	0	0	0	0	110.7	Q248 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 3.16Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 3.3Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.8Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.51Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å
253	E	96.9	Very high	94.6	Very high	116 Å²	116	88.8 Å²	88.8	54%	0.542	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	108.4	163.2	-173.7	-174.5	-171.1	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.43Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.49Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.14Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.39Å; E253-A270 PolarHBondContact O-N 3.14Å
254	L	96.8	Very high	94.6	Very high	92 Å²	92	86.4 Å²	86.4	48%	0.482	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.1	178.7	-174	68.2	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.8Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
255	V	96.9	Very high	94.8	Very high	34 Å²	34	83 Å²	83	21%	0.206	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-82.7	153.4	175.4	-65.3	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.39Å; V255-K267 WeakPolarHBondContact O-CG 3.48Å; V255-K267 PolarHBondContact O-NZ 3.49Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.46Å; V255-W268 PolarHBondContact N-O 3.48Å
256	E	96.9	Very high	95.1	Very high	171 Å²	171	82.7 Å²	82.7	80%	0.799	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-57.1	147.8	167.1	-68.1	-176	175.1	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.01Å
257	T	97.9	Very high	95.2	Very high	45 Å²	45	76.8 Å²	76.8	28%	0.276	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-68.3	128.9	174.2	-56.5	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.41Å; T257-F265 HydrophobicContact CG2-CB 3.75Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; T257-K267 WeakPolarHBondContact OG1-CD 3.33Å; T257-K267 PolarHBondContact OG1-NZ 2.67Å
258	R	97.6	Very high	95.4	Very high	100 Å²	100	73.5 Å²	73.5	38%	0.377	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.9	-174.6	69.2	-167.2	-179.6	-177.4	4.1	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.01Å; R258-F265 WeakPolarHBondContact O-CA 3.24Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.45Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 3.01Å
259	P	97.4	Very high	95.5	Very high	94 Å²	94	72.3 Å²	72.3	61%	0.61	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.5	178.1	28.6	-34.6	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.28Å
260	A	96.6	Very high	95.9	Very high	50 Å²	50	67.4 Å²	67.4	41%	0.413	36%	0.362	S	S	.	.			trans	-89	-15.8	172.6	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.24Å; A260-T264 WeakPolarHBondContact CB-O 3.43Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.82Å
261	G	93.2	Very high	96.4	Very high	78 Å²	78	58.4 Å²	58.4	80%	0.804	32%	0.32	S	S	*	.	S	Bend	trans	95.1	-4.8	179.7	0	0	0	0	0	114.6
262	D	93	Very high	96.8	Very high	108 Å²	108	56.6 Å²	56.6	58%	0.578	31%	0.313	S	S	*	.	S	Bend	trans	-116.2	32.1	179.8	65.1	-6.2	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.24Å; D262-T264 PolarHBondContact O-N 3.03Å; D262-T264 WeakPolarHBondContact OD1-CB 3.21Å; D262-T264 PolarHBondContact OD1-N 2.8Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.8Å
263	R	92.4	Very high	96.9	Very high	62 Å²	62	55.4 Å²	55.4	23%	0.234	31%	0.306	C	S	.	.	S	Bend	trans	73.2	-19.4	-169.9	-176.1	-177.6	175.2	-131	-13.3	115.1	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 3.31Å; T202-R263 VanDerWaalsContact CA-NH1 3.3Å; T202-R263 VanDerWaalsContact CB-NH1 3.3Å; T202-R263 VanDerWaalsContact O-CZ 3.3Å; T202-R263 PolarHBondContact O-NH1 2.91Å; T202-R263 PolarHBondContact O-NH2 3.3Å; Y233-R263 HydrophobicContact CD2-CG 3.91Å; Y233-R263 HydrophobicContact CE2-CG 4.09Å; R263-F265 WeakPolarHBondContact O-CE2 3.3Å
264	T	97.2	Very high	96.9	Very high	19 Å²	19	52 Å²	52	12%	0.117	29%	0.294	C	S	.	.			trans	-85.8	168.1	-179.4	76.3	0	0	0	0	112.8	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.14Å; A260-T264 WeakPolarHBondContact CB-O 3.43Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.82Å; D262-T264 PolarHBondContact O-N 3.03Å; D262-T264 WeakPolarHBondContact OD1-CB 3.21Å; D262-T264 PolarHBondContact OD1-N 2.8Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.8Å
265	F	98.4	Very high	96.7	Very high	26 Å²	26	50.3 Å²	50.3	11%	0.114	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	163.4	180	-64.4	-87.5	0	0	0	111.7	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 3.14Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.28Å; F232-F265 PolarHBondContact O-N 2.9Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.65Å; T257-F265 HydrophobicContact CG2-CB 3.75Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; R258-F265 WeakPolarHBondContact O-CA 3.24Å; P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.28Å; R263-F265 WeakPolarHBondContact O-CE2 3.3Å
266	Q	98.4	Very high	96.5	Very high	43 Å²	43	51.8 Å²	51.8	20%	0.201	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.3	174.4	40.1	165.8	-16.4	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.37Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.45Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 3.01Å
267	K	98.6	Very high	96.4	Very high	22 Å²	22	46.2 Å²	46.2	10%	0.096	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.2	177.5	-162.9	-176.1	-171.9	69.7	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.42Å; A229-K267 PolarHBondContact O-N 2.86Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.39Å; V255-K267 WeakPolarHBondContact O-CG 3.48Å; V255-K267 PolarHBondContact O-NZ 3.49Å; T257-K267 WeakPolarHBondContact OG1-CD 3.33Å; T257-K267 PolarHBondContact OG1-NZ 2.67Å
268	W	98.4	Very high	96.3	Very high	25 Å²	25	45 Å²	45	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.6	169.2	59.1	-98.9	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.04Å; C227-W268 WeakPolarHBondContact O-CB 3.06Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.43Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.49Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.46Å; V255-W268 PolarHBondContact N-O 3.48Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.4	Very high	96.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.2	173.6	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.45Å; C227-A269 PolarHBondContact N-O 3.48Å; C227-A269 PolarHBondContact O-N 2.04Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 PolarHBondContact NE1-O 2.8Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.14Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
270	A	98.1	Very high	96.1	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145	179.9	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.51Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.39Å; E253-A270 PolarHBondContact O-N 3.14Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	97.9	Very high	96.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.4	176	63.3	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.33Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 2.8Å; L225-V271 PolarHBondContact O-N 3.41Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.04Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.4Å; V271-Y281 HydrophobicContact CG2-CE1 4.02Å
272	V	97.4	Very high	96.4	Very high	75 Å²	75	39.9 Å²	39.9	46%	0.455	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.4	171.5	-178.5	0	0	0	0	108	E222	E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.3Å
273	V	96.6	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.9	-175.6	-51.7	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.31Å; A223-V273 HydrophobicContact CB-CG2 4.44Å; A223-V273 PolarHBondContact N-O 2.93Å; A223-V273 WeakPolarHBondContact O-CG2 3.49Å; A223-V273 PolarHBondContact O-N 3.17Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.4	Very high	96.9	Very high	45 Å²	45	33.5 Å²	33.5	29%	0.292	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	140.2	170	-20.3	32.3	0	0	0	111.3	H221 G276 E277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; P274-G276 PolarHBondContact O-N 3.41Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.16Å; P274-E277 PolarHBondContact O-N 3.31Å
275	S	92.9	Very high	97	Very high	55 Å²	55	32.6 Å²	32.6	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	129.5	176.7	-62.8	0	0	0	0	111.3	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 3.39Å; H221-S275 PolarHBondContact O-OG 3.29Å; E222-S275 PolarHBondContact N-OG 2.8Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.42Å
276	G	91.9	Very high	97	Very high	66 Å²	66	34.3 Å²	34.3	68%	0.68	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	-7.1	-176.7	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.41Å; G276-E278 WeakPolarHBondContact CA-OE2 3.06Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.43Å; G276-E278 PolarHBondContact N-OE2 2.92Å
277	E	95.6	Very high	96.9	Very high	54 Å²	54	32.8 Å²	32.8	25%	0.252	18%	0.181	S	C	.	.			trans	-100	3.8	176.2	-65.2	-159.1	-152.8	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.56Å; R243-E277 IonicContact NE-OE2 2.82Å; R243-E277 IonicContact NH2-OE1 3.43Å; R243-E277 IonicContact NH2-OE2 3.6Å; R243-E277 PolarHBondContact NH2-OE2 2.91Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.16Å; P274-E277 PolarHBondContact O-N 3.31Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 2.96Å; E277-R280 WeakPolarHBondContact O-CB 3.3Å; E277-R280 PolarHBondContact O-N 3.5Å; E277-R280 IonicContact OE1-NH1 2.95Å; E277-R280 IonicContact OE2-CZ 3.84Å; E277-R280 IonicContact OE2-NE 3.51Å; E277-R280 IonicContact OE2-NH1 3.02Å; E277-R280 PolarHBondContact OE2-NH1 3.37Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.18Å
278	E	95.2	Very high	96.6	Very high	18 Å²	18	35.5 Å²	35.5	8%	0.084	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57	-33.1	-171.1	-57.8	80.4	-176.6	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.51Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.42Å; G276-E278 WeakPolarHBondContact CA-OE2 3.06Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.43Å; G276-E278 PolarHBondContact N-OE2 2.92Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.86Å; E278-Y281 PolarHBondContact O-N 2.87Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; E278-W298 HydrophobicContact CB-CD2 4.42Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.8Å
279	Q	95.4	Very high	96.4	Very high	97 Å²	97	35.3 Å²	35.3	45%	0.453	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-72.1	-15.8	-179	-62.7	-56.7	-46.2	0	0	114.1	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 2.96Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-R297 PolarHBondContact O-NE 3.43Å; Q279-W298 PolarHBondContact NE2-O 3.22Å
280	R	96.9	Very high	96.3	Very high	102 Å²	102	36.5 Å²	36.5	39%	0.385	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-76.5	-16.9	172.9	-63.3	174.4	68	177.5	6.2	112.2	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.46Å; R243-R280 HydrophobicContact CG-CB 4.39Å; D244-R280 PolarHBondContact N-O 3.44Å; D244-R280 IonicContact OD1-NE 3.75Å; D244-R280 PolarHBondContact OD1-NE 3.47Å; D244-R280 IonicContact OD2-CZ 3.92Å; D244-R280 IonicContact OD2-NE 3.53Å; D244-R280 PolarHBondContact OD2-NE 2.98Å; D244-R280 IonicContact OD2-NH2 2.67Å; D244-R280 PolarHBondContact OD2-NH2 3.41Å; E277-R280 WeakPolarHBondContact O-CB 3.3Å; E277-R280 PolarHBondContact O-N 3.5Å; E277-R280 IonicContact OE1-NH1 2.95Å; E277-R280 IonicContact OE2-CZ 3.84Å; E277-R280 IonicContact OE2-NE 3.51Å; E277-R280 IonicContact OE2-NH1 3.02Å; E277-R280 PolarHBondContact OE2-NH1 3.37Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.86Å
281	Y	97.7	Very high	96.1	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.027	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.9	-177.4	-69.3	-100.6	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 WeakPolarHBondContact CD-OH 3.41Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.4Å; V271-Y281 HydrophobicContact CG2-CE1 4.02Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.18Å; E278-Y281 PolarHBondContact O-N 2.87Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	98.1	Very high	95.9	Very high	10 Å²	10	50.4 Å²	50.4	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.3	176	47.2	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.39Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 3.34Å; Q242-T282 PolarHBondContact O-N 2.86Å; T282-H284 PolarHBondContact OG1-NE2 3.21Å; T282-T295 HydrophobicContact CG2-CG2 3.94Å; T282-L296 CarbonylContact C-O 3.49Å; T282-L296 WeakPolarHBondContact CA-O 3.43Å; T282-R297 HydrophobicContact CG2-CG 3.61Å
283	C	98.3	Very high	95.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.3	169.7	175	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.3Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.12Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; W241-C283 HydrophobicContact CD2-CB 4.17Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.29Å; C283-L296 HydrophobicContact CB-CB 4.35Å; C283-L296 PolarHBondContact N-O 2.95Å; C283-L296 PolarHBondContact O-N 2.96Å
284	H	98	Very high	95.9	Very high	35 Å²	35	53.4 Å²	53.4	16%	0.162	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.7	176.6	-63.9	-109.1	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.39Å; T240-H284 PolarHBondContact N-O 3.41Å; T240-H284 PolarHBondContact O-N 3.41Å; Q242-H284 PolarHBondContact OE1-NE2 3.03Å; T282-H284 PolarHBondContact OG1-NE2 3.21Å; H284-L294 WeakPolarHBondContact CA-O 3.14Å; H284-T295 PolarHBondContact ND1-OG1 2.96Å
285	V	98.3	Very high	96	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.9	-178.5	-174.5	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.1Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; V285-P293 WeakPolarHBondContact O-CA 3.4Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.35Å; V285-L294 PolarHBondContact O-N 3.22Å; V285-L296 HydrophobicContact CG2-CD1 3.73Å
286	Q	97.8	Very high	96.2	Very high	63 Å²	63	54 Å²	54	29%	0.294	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.2	174.3	-52.2	178.9	17	0	0	109.3	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; T238-Q286 PolarHBondContact N-O 3.23Å; T238-Q286 PolarHBondContact O-N 2.87Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.19Å
287	H	96.4	Very high	96.4	Very high	11 Å²	11	57.9 Å²	57.9	5%	0.051	29%	0.29	C	S	.	.			trans	-160.2	146.8	-177.4	-174.7	-99	0	0	0	109.2	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.92Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.37Å; P234-H287 PolarHBondContact O-NE2 3.47Å; E236-H287 PolarHBondContact O-CD2 3.22Å; I237-H287 HydrophobicContact CD1-CB 4.37Å; I237-H287 HydrophobicContact CG1-CB 4.11Å; H287-G289 PolarHBondContact ND1-N 3.05Å; H287-G289 PolarHBondContact O-N 3.35Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.24Å; H287-L290 PolarHBondContact O-N 3.39Å
288	E	93.7	Very high	96.4	Very high	79 Å²	79	57.5 Å²	57.5	37%	0.369	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-37.7	179.8	-165	-178.1	163.2	0	0	113.2	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CG 4.45Å; W23-E288 HydrophobicContact CE3-CB 3.91Å; W23-E288 WeakPolarHBondContact O-CG 3.44Å; A206-E288 HydrophobicContact CB-CB 4.34Å; A206-E288 HydrophobicContact CB-CG 4.37Å; P234-E288 WeakPolarHBondContact CG-OE2 3.23Å; E288-L290 PolarHBondContact O-N 2.96Å
289	G	94.1	Very high	96.1	Very high	20 Å²	20	64.4 Å²	64.4	21%	0.206	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.1	-179.2	0	0	0	0	0	113.7	H287	H287-G289 PolarHBondContact ND1-N 3.05Å; H287-G289 PolarHBondContact O-N 3.35Å
290	L	95.9	Very high	95.5	Very high	26 Å²	26	63.6 Å²	63.6	14%	0.136	32%	0.322	C	S	.	.			trans	-94.4	126.1	179	-66.2	171.2	0	0	0	110.7	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.45Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.24Å; H287-L290 PolarHBondContact O-N 3.39Å; E288-L290 PolarHBondContact O-N 2.96Å; L290-K292 WeakPolarHBondContact CB-O 3.45Å; L290-K292 PolarHBondContact O-N 2.89Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CD2 4.47Å; L290-L294 HydrophobicContact CD2-CG 3.94Å
291	P	93.9	Very high	93.9	Very high	132 Å²	132	63.9 Å²	63.9	86%	0.857	34%	0.339	S	S	*	.	S	Bend	trans	-66	-23.7	176.6	27.5	-34.9	0	0	0	112.6
292	K	94.2	Very high	91.5	Very high	163 Å²	163	68.9 Å²	68.9	71%	0.709	38%	0.376	S	S	*	.	S	Bend	trans	-147.8	148.9	173.5	-63.5	-175.8	-177.5	177.2	0	109.1	L290	L290-K292 WeakPolarHBondContact CB-O 3.45Å; L290-K292 PolarHBondContact O-N 2.89Å
293	P	96.3	Very high	89	Confident	79 Å²	79	76.4 Å²	76.4	51%	0.513	41%	0.41	S	S	.	.			trans	-51.6	141.4	171.3	-27.7	36.1	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.4Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.19Å
294	L	97.2	Very high	86.3	Confident	60 Å²	60	80.9 Å²	80.9	31%	0.314	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	145.3	174.9	-62.3	177.6	0	0	0	110.2	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.33Å; H284-L294 WeakPolarHBondContact CA-O 3.14Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.35Å; V285-L294 PolarHBondContact O-N 3.22Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CD2 4.47Å; L290-L294 HydrophobicContact CD2-CG 3.94Å; L294-L296 HydrophobicContact CB-CD1 4.11Å
295	T	97.8	Very high	83.9	Confident	85 Å²	85	85.1 Å²	85.1	52%	0.521	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.2	170.6	-57.3	0	0	0	0	108.2	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.94Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.29Å; H284-T295 PolarHBondContact ND1-OG1 2.96Å
296	L	97.3	Very high	81.6	Confident	28 Å²	28	90 Å²	90	15%	0.147	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.3	-178.3	-59.7	101.1	0	0	0	110.5	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.48Å; V213-L296 HydrophobicContact CG2-CB 3.79Å; T282-L296 CarbonylContact C-O 3.49Å; T282-L296 WeakPolarHBondContact CA-O 3.43Å; C283-L296 HydrophobicContact CB-CB 4.35Å; C283-L296 PolarHBondContact N-O 2.95Å; C283-L296 PolarHBondContact O-N 2.96Å; V285-L296 HydrophobicContact CG2-CD1 3.73Å; L294-L296 HydrophobicContact CB-CD1 4.11Å
297	R	96.3	Very high	79.6	Confident	146 Å²	146	90.9 Å²	90.9	55%	0.551	51%	0.506	S	S	*	.			trans	-115.3	162.5	163.9	-71.2	-172.8	176.9	129.7	2.5	109	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.43Å; T282-R297 HydrophobicContact CG2-CG 3.61Å; R297-E299 PolarHBondContact O-N 3.06Å
298	W	95.9	Very high	77.8	Confident	46 Å²	46	96.1 Å²	96.1	17%	0.174	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-68.7	120.3	166.4	171.1	57.7	0	0	0	109.8	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.42Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.8Å; Q279-W298 PolarHBondContact NE2-O 3.22Å; W298-P300 HydrophobicContact CE3-CG 4.41Å; W298-P300 HydrophobicContact CH2-CB 4.23Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 4.01Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.09Å
299	E	89.8	Confident	76.2	Confident	164 Å²	164	98.2 Å²	98.2	77%	0.766	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-98.4	120	168.4	-70.3	-178.2	175.9	0	0	108.3	R297 S301	R297-E299 PolarHBondContact O-N 3.06Å; E299-S301 PolarHBondContact O-N 2.75Å; E299-S301 VanDerWaalsContact O-N 3.14Å
300	P	82.2	Confident	74.9	Confident	80 Å²	80	99.2 Å²	99.2	52%	0.519	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-56	123.4	169.8	-19.3	29.8	0	0	0	107.5	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.41Å; W298-P300 HydrophobicContact CH2-CB 4.23Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 4.01Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.09Å; P300-S302 PolarHBondContact O-N 3.16Å
301	S	63.7	Low	73.7	Confident	107 Å²	107	102.6 Å²	102.6	75%	0.748	58%	0.579	S	S	*	*			trans	-52.9	113.4	178.4	31.5	0	0	0	0	108.4	E299 Q303	E299-S301 PolarHBondContact O-N 2.75Å; E299-S301 VanDerWaalsContact O-N 3.14Å; S301-Q303 PolarHBondContact O-N 3.28Å
302	S	47.4	Very low	72.8	Confident	113 Å²	113	100.6 Å²	100.6	79%	0.79	56%	0.564	S	S	*	*			trans	-68	81.7	158.2	52.6	0	0	0	0	105.4	P300 S304	P300-S302 PolarHBondContact O-N 3.16Å; S302-S304 PolarHBondContact O-N 3.39Å
303	Q	45.2	Very low	71.8	Confident	168 Å²	168	95.4 Å²	95.4	79%	0.785	55%	0.551	S	S	*	*			trans	-55.1	93.8	145.2	-88.4	-174.6	-18.1	0	0	103.6	S301 T305	S301-Q303 PolarHBondContact O-N 3.28Å; Q303-T305 PolarHBondContact O-N 3.36Å; Q303-T305 PolarHBondContact O-OG1 3.26Å
304	S	41.9	Very low	71.1	Confident	94 Å²	94	93.3 Å²	93.3	66%	0.657	54%	0.544	S	S	*	.			trans	-54.7	97.6	162.5	-177.3	0	0	0	0	103.1	S302 I306	S302-S304 PolarHBondContact O-N 3.39Å; S304-I306 PolarHBondContact O-N 3.14Å
305	T	46	Very low	70.4	Confident	124 Å²	124	95.7 Å²	95.7	76%	0.761	56%	0.557	S	S	*	*			trans	-63.9	75.8	160.4	-42.3	0	0	0	0	103.5	Q303 P307	Q303-T305 PolarHBondContact O-N 3.36Å; Q303-T305 PolarHBondContact O-OG1 3.26Å; T305-P307 WeakPolarHBondContact O-CD 3.34Å
306	I	51.2	Low	69.7	Low	101 Å²	101	94.2 Å²	94.2	52%	0.518	55%	0.553	S	S	.	*			trans	-44.2	118.4	154.9	-63.3	175.4	0	0	0	102	S304 I308 I311	S304-I306 PolarHBondContact O-N 3.14Å; I306-I308 WeakPolarHBondContact O-CG1 3.24Å; I306-I308 PolarHBondContact O-N 3.37Å; I306-I311 HydrophobicContact CG2-CD1 4.17Å
307	P	55.3	Low	69.1	Low	83 Å²	83	97.5 Å²	97.5	54%	0.539	57%	0.574	S	S	.	*			trans	-71.9	81.8	-172.2	28.2	-32.6	0	0	0	106.4	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.34Å; P307-V309 PolarHBondContact O-N 2.63Å; P307-G310 WeakPolarHBondContact O-CA 3.45Å; P307-G310 PolarHBondContact O-N 3.32Å; P307-I311 PolarHBondContact O-N 3.27Å; P307-I311 VanDerWaalsContact O-N 3.08Å
308	I	59.4	Low	68.5	Low	121 Å²	121	95.6 Å²	95.6	62%	0.621	58%	0.575	S	S	*	*	H	α-helix	trans	-55.6	-34.1	174.2	-66.8	167.9	0	0	0	107.4	I306 G310 I311 V312	I306-I308 WeakPolarHBondContact O-CG1 3.24Å; I306-I308 PolarHBondContact O-N 3.37Å; I308-G310 PolarHBondContact O-N 2.85Å; I308-I311 PolarHBondContact O-N 2.82Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.45Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 3.15Å
309	V	60.2	Low	67.9	Low	122 Å²	122	95.8 Å²	95.8	74%	0.739	59%	0.586	S	S	*	*	H	α-helix	trans	-59.4	-41.4	170.5	-177.4	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 2.63Å; V309-A313 WeakPolarHBondContact O-CB 3.4Å; V309-A313 PolarHBondContact O-N 3.39Å
310	G	65.3	Low	67.6	Low	42 Å²	42	93 Å²	93	43%	0.433	58%	0.58	S	S	.	*	H	α-helix	trans	-68.7	-38.5	178.3	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.45Å; P307-G310 PolarHBondContact O-N 3.32Å; I308-G310 PolarHBondContact O-N 2.85Å; G310-G314 PolarHBondContact O-N 2.78Å
311	I	72.1	Confident	67.8	Low	97 Å²	97	93.6 Å²	93.6	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-69.7	-43.9	175.9	-61.9	174.3	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.17Å; P307-I311 PolarHBondContact O-N 3.27Å; P307-I311 VanDerWaalsContact O-N 3.08Å; I308-I311 PolarHBondContact O-N 2.82Å; I311-G314 PolarHBondContact O-N 3.16Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.45Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 2.96Å
312	V	73.8	Confident	68.8	Low	90 Å²	90	92.5 Å²	92.5	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-65.2	-43.1	177.8	172.5	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.45Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 3.15Å; V312-L315 PolarHBondContact O-N 3.09Å; V312-A316 WeakPolarHBondContact O-CB 3.21Å; V312-A316 PolarHBondContact O-N 3.14Å
313	A	74.3	Confident	70.4	Confident	53 Å²	53	92.4 Å²	92.4	44%	0.438	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-43.2	174.9	0	0	0	0	0	111.7	V309 L315 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.4Å; V309-A313 PolarHBondContact O-N 3.39Å; A313-L315 PolarHBondContact O-N 2.92Å; A313-A316 PolarHBondContact O-N 2.85Å; A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 2.83Å
314	G	79.9	Confident	72.1	Confident	35 Å²	35	86.4 Å²	86.4	36%	0.361	54%	0.543	S	S	.	.	H	α-helix	trans	-60.8	-44.4	176.3	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.78Å; I311-G314 PolarHBondContact O-N 3.16Å; G314-V317 PolarHBondContact O-N 2.91Å; G314-L318 WeakPolarHBondContact O-CB 3.19Å; G314-L318 PolarHBondContact O-N 2.87Å
315	L	84.3	Confident	73.9	Confident	110 Å²	110	84.5 Å²	84.5	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-66.6	-39	176.9	-73.6	171.1	0	0	0	112.4	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.45Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 2.96Å; V312-L315 PolarHBondContact O-N 3.09Å; A313-L315 PolarHBondContact O-N 2.92Å; L315-L318 PolarHBondContact O-N 3.3Å; L315-A319 WeakPolarHBondContact O-CB 3.38Å; L315-A319 PolarHBondContact O-N 3.18Å
316	A	82.4	Confident	75.6	Confident	55 Å²	55	82.3 Å²	82.3	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-43.3	176.5	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.21Å; V312-A316 PolarHBondContact O-N 3.14Å; A313-A316 PolarHBondContact O-N 2.85Å; A316-A319 PolarHBondContact O-N 3.25Å; A316-V320 WeakPolarHBondContact O-CG2 3.48Å; A316-V320 PolarHBondContact O-N 3.17Å
317	V	83.7	Confident	76.9	Confident	96 Å²	96	81.2 Å²	81.2	58%	0.582	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-44.9	176.3	173.6	0	0	0	0	110.9	A313 G314 A319 V320 V321	A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 2.83Å; G314-V317 PolarHBondContact O-N 2.91Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.48Å; V317-V320 PolarHBondContact O-N 2.93Å; V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.28Å; V317-V321 PolarHBondContact O-N 3.08Å
318	L	84.4	Confident	77.9	Confident	107 Å²	107	79.8 Å²	79.8	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-58.8	-44.1	175.6	-97.4	157.7	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.19Å; G314-L318 PolarHBondContact O-N 2.87Å; L315-L318 PolarHBondContact O-N 3.3Å; L318-V320 PolarHBondContact O-N 3.1Å; L318-V321 PolarHBondContact O-N 3.45Å; L318-V322 VanDerWaalsContact O-CG2 3.28Å; L318-V322 WeakPolarHBondContact O-CG2 3.38Å; L318-V322 PolarHBondContact O-N 3.19Å
319	A	83.3	Confident	78.5	Confident	50 Å²	50	78 Å²	78	41%	0.413	51%	0.507	S	S	.	.	H	α-helix	trans	-61.2	-43.6	177.3	0	0	0	0	0	112	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.38Å; L315-A319 PolarHBondContact O-N 3.18Å; A316-A319 PolarHBondContact O-N 3.25Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.48Å; A319-V322 PolarHBondContact O-N 2.84Å; A319-I323 WeakPolarHBondContact O-CB 3.22Å; A319-I323 WeakPolarHBondContact O-CD1 3.47Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.36Å; A319-I323 PolarHBondContact O-N 2.88Å
320	V	84.6	Confident	79.1	Confident	105 Å²	105	76.1 Å²	76.1	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-63.2	-42.6	177	173.1	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.48Å; A316-V320 PolarHBondContact O-N 3.17Å; V317-V320 PolarHBondContact O-N 2.93Å; L318-V320 PolarHBondContact O-N 3.1Å; V320-I323 PolarHBondContact O-N 2.99Å; V320-G324 PolarHBondContact O-N 3.12Å
321	V	85.7	Confident	79.4	Confident	93 Å²	93	80.2 Å²	80.2	56%	0.564	51%	0.505	S	S	*	.	H	α-helix	trans	-63.6	-44.2	177.8	172.2	0	0	0	0	111.2	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.28Å; V317-V321 PolarHBondContact O-N 3.08Å; L318-V321 PolarHBondContact O-N 3.45Å; V321-G324 PolarHBondContact O-N 3.5Å; V321-A325 WeakPolarHBondContact O-CB 3.37Å; V321-A325 PolarHBondContact O-N 2.93Å
322	V	83.6	Confident	79	Confident	84 Å²	84	79.9 Å²	79.9	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-64.1	-45.7	178.5	172.7	0	0	0	0	110.8	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.28Å; L318-V322 WeakPolarHBondContact O-CG2 3.38Å; L318-V322 PolarHBondContact O-N 3.19Å; A319-V322 PolarHBondContact O-N 2.84Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.95Å; V322-A325 PolarHBondContact O-N 2.7Å; V322-V326 HydrophobicContact CG1-CG2 4.43Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.3Å; V322-V326 PolarHBondContact O-N 3.06Å
323	I	82.4	Confident	78.5	Confident	110 Å²	110	84.9 Å²	84.9	56%	0.564	52%	0.52	S	S	*	.	H	α-helix	trans	-60.9	-44.6	176.3	-67	165.3	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.22Å; A319-I323 WeakPolarHBondContact O-CD1 3.47Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.36Å; A319-I323 PolarHBondContact O-N 2.88Å; V320-I323 PolarHBondContact O-N 2.99Å; I323-A325 PolarHBondContact O-N 2.95Å; I323-V326 PolarHBondContact O-N 2.8Å; I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.21Å; I323-V327 PolarHBondContact O-N 3.41Å
324	G	81.3	Confident	77.6	Confident	42 Å²	42	92.2 Å²	92.2	43%	0.433	54%	0.536	S	S	.	.	H	α-helix	trans	-59	-44.2	176.1	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.12Å; V321-G324 PolarHBondContact O-N 3.5Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.95Å; G324-V327 PolarHBondContact O-N 2.96Å; G324-A328 WeakPolarHBondContact O-CB 3.46Å; G324-A328 PolarHBondContact O-N 3.07Å
325	A	79.6	Confident	76.3	Confident	54 Å²	54	99.7 Å²	99.7	45%	0.446	56%	0.558	S	S	.	*	H	α-helix	trans	-66	-39.7	177.4	0	0	0	0	0	112.6	V321 V322 I323 A328 T329	V321-A325 WeakPolarHBondContact O-CB 3.37Å; V321-A325 PolarHBondContact O-N 2.93Å; V322-A325 PolarHBondContact O-N 2.7Å; I323-A325 PolarHBondContact O-N 2.95Å; A325-A328 PolarHBondContact O-N 3.13Å; A325-T329 WeakPolarHBondContact O-CB 3.37Å; A325-T329 WeakPolarHBondContact O-CG2 3.36Å; A325-T329 PolarHBondContact O-N 3.43Å; A325-T329 PolarHBondContact O-OG1 3.07Å
326	V	80.6	Confident	74.8	Confident	79 Å²	79	99 Å²	99	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-65.5	-44.7	175.4	172.6	0	0	0	0	110.8	V322 I323 A328 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.43Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.3Å; V322-V326 PolarHBondContact O-N 3.06Å; I323-V326 PolarHBondContact O-N 2.8Å; V326-A328 PolarHBondContact O-N 2.92Å; V326-T329 WeakPolarHBondContact CA-OG1 3.41Å; V326-T329 PolarHBondContact O-N 3.38Å; V326-T329 PolarHBondContact O-OG1 3.34Å; V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.32Å; V326-V330 VanDerWaalsContact O-CG2 3.25Å; V326-V330 WeakPolarHBondContact O-CG2 3.42Å; V326-V330 PolarHBondContact O-N 3.29Å
327	V	79.1	Confident	73.3	Confident	78 Å²	78	101 Å²	101	47%	0.473	57%	0.573	S	S	.	*	H	α-helix	trans	-63.3	-44.4	176.9	173.1	0	0	0	0	110.8	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.21Å; I323-V327 PolarHBondContact O-N 3.41Å; G324-V327 PolarHBondContact O-N 2.96Å; V327-T329 PolarHBondContact O-N 3.43Å; V327-V330 PolarHBondContact O-N 3.06Å; V327-M331 HydrophobicContact CG1-CG 4.37Å; V327-M331 HydrophobicContact CG1-SD 4.04Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.42Å; V327-M331 PolarHBondContact O-N 3.09Å
328	A	74.9	Confident	71.5	Confident	53 Å²	53	100 Å²	100	44%	0.438	58%	0.583	S	S	.	*	H	α-helix	trans	-62	-44	177.4	0	0	0	0	0	112.3	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.46Å; G324-A328 PolarHBondContact O-N 3.07Å; A325-A328 PolarHBondContact O-N 3.13Å; V326-A328 PolarHBondContact O-N 2.92Å; A328-M331 PolarHBondContact O-N 3.22Å; A328-C332 WeakPolarHBondContact O-CB 3.48Å; A328-C332 PolarHBondContact O-N 3.49Å; A328-C332 PolarHBondContact O-SG 2.93Å; A328-C332 VanDerWaalsContact O-SG 3.39Å
329	T	73.1	Confident	69.3	Low	83 Å²	83	98.2 Å²	98.2	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-66.8	-40	177.2	45	0	0	0	0	112.4	A325 V326 V327 C332 R333	A325-T329 WeakPolarHBondContact O-CB 3.37Å; A325-T329 WeakPolarHBondContact O-CG2 3.36Å; A325-T329 PolarHBondContact O-N 3.43Å; A325-T329 PolarHBondContact O-OG1 3.07Å; V326-T329 WeakPolarHBondContact CA-OG1 3.41Å; V326-T329 PolarHBondContact O-N 3.38Å; V326-T329 PolarHBondContact O-OG1 3.34Å; V327-T329 PolarHBondContact O-N 3.43Å; T329-C332 PolarHBondContact O-N 2.89Å; T329-R333 WeakPolarHBondContact O-CB 3.35Å; T329-R333 WeakPolarHBondContact O-CG 3.29Å; T329-R333 PolarHBondContact O-N 2.97Å
330	V	73.1	Confident	67.1	Low	82 Å²	82	106 Å²	106	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-65.1	-43	174.7	170.7	0	0	0	0	111.1	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.32Å; V326-V330 VanDerWaalsContact O-CG2 3.25Å; V326-V330 WeakPolarHBondContact O-CG2 3.42Å; V326-V330 PolarHBondContact O-N 3.29Å; V327-V330 PolarHBondContact O-N 3.06Å; V330-R333 PolarHBondContact O-N 3.18Å; V330-R334 WeakPolarHBondContact O-CB 3.39Å; V330-R334 PolarHBondContact O-N 3.05Å
331	M	70.9	Confident	64.8	Low	128 Å²	128	104.7 Å²	104.7	63%	0.631	62%	0.622	S	S	*	*	H	α-helix	trans	-65.4	-40.2	176.5	-73.9	-174.2	70.6	0	0	112.4	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.37Å; V327-M331 HydrophobicContact CG1-SD 4.04Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.42Å; V327-M331 PolarHBondContact O-N 3.09Å; A328-M331 PolarHBondContact O-N 3.22Å; M331-R334 PolarHBondContact O-N 2.86Å; M331-K335 WeakPolarHBondContact O-CB 3.19Å; M331-K335 PolarHBondContact O-N 3.43Å
332	C	64.7	Low	62.3	Low	90 Å²	90	104.3 Å²	104.3	61%	0.608	64%	0.637	S	S	*	*	H	α-helix	trans	-62.1	-42.9	172.8	-78.3	0	0	0	0	111.6	A328 T329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.48Å; A328-C332 PolarHBondContact O-N 3.49Å; A328-C332 PolarHBondContact O-SG 2.93Å; A328-C332 VanDerWaalsContact O-SG 3.39Å; T329-C332 PolarHBondContact O-N 2.89Å; C332-K335 PolarHBondContact O-N 3.34Å; C332-S336 PolarHBondContact O-N 3.33Å; C332-S336 VanDerWaalsContact O-N 3.11Å; C332-S336 PolarHBondContact O-OG 3.15Å
333	R	62.1	Low	60	Low	196 Å²	196	106 Å²	106	74%	0.74	65%	0.653	S	S	*	*	H	α-helix	trans	-66	-36.9	176.2	-76.9	-176.4	119.1	160.9	1.8	113	T329 V330 K335 S336 S337	T329-R333 WeakPolarHBondContact O-CB 3.35Å; T329-R333 WeakPolarHBondContact O-CG 3.29Å; T329-R333 PolarHBondContact O-N 2.97Å; V330-R333 PolarHBondContact O-N 3.18Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-S336 WeakPolarHBondContact CA-OG 3.31Å; R333-S336 PolarHBondContact O-N 3.07Å; R333-S336 PolarHBondContact O-OG 2.81Å; R333-S336 VanDerWaalsContact O-OG 3.06Å; R333-S337 PolarHBondContact O-N 2.99Å
334	R	56.1	Low	57.8	Low	207 Å²	207	111.7 Å²	111.7	78%	0.781	67%	0.669	S	S	*	*	H	α-helix	trans	-69.1	-29.7	175.5	-124.7	178	174.6	-179.3	-1.9	112.5	V330 M331	V330-R334 WeakPolarHBondContact O-CB 3.39Å; V330-R334 PolarHBondContact O-N 3.05Å; M331-R334 PolarHBondContact O-N 2.86Å
335	K	52	Low	55.6	Low	192 Å²	192	115.2 Å²	115.2	84%	0.835	69%	0.687	S	S	*	*	H	α-helix	trans	-79	-22.9	176	-161.1	171.2	-179.5	179.2	0	112.8	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.19Å; M331-K335 PolarHBondContact O-N 3.43Å; C332-K335 PolarHBondContact O-N 3.34Å; R333-K335 VanDerWaalsContact C-N 3.31Å
336	S	53.4	Low	53.5	Low	96 Å²	96	121.9 Å²	121.9	67%	0.671	71%	0.709	S	S	*	*	H	α-helix	trans	-93.5	-6.9	177.1	59	0	0	0	0	115.2	C332 R333	C332-S336 PolarHBondContact O-N 3.33Å; C332-S336 VanDerWaalsContact O-N 3.11Å; C332-S336 PolarHBondContact O-OG 3.15Å; R333-S336 WeakPolarHBondContact CA-OG 3.31Å; R333-S336 PolarHBondContact O-N 3.07Å; R333-S336 PolarHBondContact O-OG 2.81Å; R333-S336 VanDerWaalsContact O-OG 3.06Å
337	S	50.3	Low	51.3	Low	95 Å²	95	122.3 Å²	122.3	66%	0.664	72%	0.72	S	S	*	*	S	Bend	trans	-102.6	24.5	-178	80.6	0	0	0	0	114.4	R333	R333-S337 PolarHBondContact O-N 2.99Å
338	G	45.8	Very low	49.2	Very low	77 Å²	77	123.1 Å²	123.1	79%	0.794	74%	0.735	S	S	*	*			trans	-110.5	73.8	174	0	0	0	0	0	111.7
339	G	39.6	Very low	47.3	Very low	69 Å²	69	126 Å²	126	71%	0.711	75%	0.752	S	S	*	*			trans	163.8	116	167.8	0	0	0	0	0	116.8
340	K	36.9	Very low	45.6	Very low	214 Å²	214	127.1 Å²	127.1	93%	0.93	76%	0.763	S	S	*	*			trans	73.1	118.7	165.7	-76.1	168.8	171.9	170.4	0	116.3
341	G	35.8	Very low	43.9	Very low	77 Å²	77	130.6 Å²	130.6	79%	0.794	78%	0.779	S	S	*	*			cis	94.8	100.6	33.8	0	0	0	0	0	107.7
342	G	33.9	Very low	42.6	Very low	84 Å²	84	130.3 Å²	130.3	87%	0.866	79%	0.79	S	S	*	*			trans	-82	-176.3	-153.4	0	0	0	0	0	118.3
343	S	34	Very low	41.4	Very low	121 Å²	121	130.3 Å²	130.3	85%	0.846	80%	0.797	S	S	*	*			trans	-159.7	134.2	150.7	-174.2	0	0	0	0	109.3
344	Y	36.2	Very low	40.5	Very low	228 Å²	228	130 Å²	130	89%	0.894	80%	0.803	S	S	*	*			trans	-70	145.2	170.9	-91.2	-101.7	0	0	0	111.5
345	S	36.6	Very low	39.5	Very low	116 Å²	116	123.4 Å²	123.4	81%	0.811	80%	0.8	S	S	*	*			trans	-161.6	120.5	142.6	45.8	0	0	0	0	111.6
346	Q	35.5	Very low	39.3	Very low	194 Å²	194	119.9 Å²	119.9	91%	0.907	80%	0.8	S	S	*	*			trans	-45	158.2	156.2	-125.7	167.7	-30.6	0	0	110.9
347	A	32.6	Very low	38.8	Very low	88 Å²	88	122.6 Å²	122.6	73%	0.727	81%	0.807	S	S	*	*			cis	-168.1	-175.7	17.1	0	0	0	0	0	109.4
348	A	35.7	Very low	38.4	Very low	95 Å²	95	123 Å²	123	79%	0.785	81%	0.805	S	S	*	*			trans	97	107.4	165	0	0	0	0	0	115.4
349	S	34.9	Very low	38.2	Very low	114 Å²	114	123.9 Å²	123.9	80%	0.797	80%	0.798	S	S	*	*				78.5	91.3	58.4	176.5	0	0	0	0	114
350	S	38.4	Very low	38.1	Very low	106 Å²	106	127.5 Å²	127.5	74%	0.741	80%	0.801	S	S	*	*			trans	174.5	110.2	133.1	45.3	0	0	0	0	108
351	D	36.1	Very low	38.2	Very low	156 Å²	156	123 Å²	123	83%	0.834	79%	0.791	S	S	*	*				56.2	112.4	96.8	-85.2	-18.4	0	0	0	114.2
352	S	44	Very low	38.6	Very low	121 Å²	121	127.7 Å²	127.7	85%	0.846	82%	0.823	S	S	*	*				173.1	119.9	106.4	-69.5	0	0	0	0	112.1
353	A	38.6	Very low	38.9	Very low	91 Å²	91	129.9 Å²	129.9	75%	0.752	82%	0.82	S	S	*	*			trans	-13.8	135.9	156.2	0	0	0	0	0	119.9
354	Q	44.2	Very low	39.1	Very low	189 Å²	189	130.3 Å²	130.3	88%	0.883	82%	0.819	S	S	*	*				169.9	116.6	108.8	-96.6	174.5	-27.8	0	0	106.2
355	G	35.5	Very low	39.3	Very low	69 Å²	69	124.9 Å²	124.9	71%	0.711	82%	0.815	S	S	*	*				71.2	108.8	73.4	0	0	0	0	0	107.8
356	S	47.8	Very low	39.4	Very low	118 Å²	118	125.4 Å²	125.4	83%	0.825	82%	0.815	S	S	*	*			cis	-160.5	132.5	41	-51.8	0	0	0	0	111.2
357	D	42.6	Very low	39.7	Very low	153 Å²	153	121.1 Å²	121.1	82%	0.818	81%	0.809	S	S	*	*				13.1	148	112.8	-78.9	-10.3	0	0	0	118.6
358	V	41.1	Very low	40.1	Very low	104 Å²	104	123.3 Å²	123.3	63%	0.63	82%	0.815	S	S	*	*			cis	-172.4	147.8	-9.6	119.5	0	0	0	0	104.7
359	S	41.4	Very low	40.5	Very low	94 Å²	94	125.4 Å²	125.4	66%	0.657	82%	0.817	S	S	*	*			trans	9	145.5	140.6	-20	0	0	0	0	120.1
360	L	38.9	Very low	40.9	Very low	146 Å²	146	126.2 Å²	126.2	76%	0.764	82%	0.818	S	S	*	*				168.4	103.8	117.5	-90.1	155.4	0	0	0	106.4
361	T	39.4	Very low	41.1	Very low	119 Å²	119	127.9 Å²	127.9	73%	0.73	83%	0.825	S	S	*	*				89.1	145.2	85	44.3	0	0	0	0	113.9
362	A	43.6	Very low	41.6	Very low	175 Å²	175	125.4 Å²	125.4	100%	1.446	82%	0.824	S	S	*	*			trans	79.3	0	156.1	0	0	0	0	0	116.5

Retrieved 362 of 362 residues in 67.8 ms (Link to these results)

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