A0A060VCZ2_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCZ2, 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	33.8	Very low	44.8	Very low	239 Å²	239	133.4 Å²	133.4	100%	1.177	71%	0.706	S	S	*	*				0	104.3	0	-71.1	173.3	-157.9	0	0	107.2	V3	M1-V3 PolarHBondContact O-N 3.47Å
2	L	36.3	Very low	44.9	Very low	176 Å²	176	132.9 Å²	132.9	92%	0.921	70%	0.703	S	S	*	*			trans	-82.9	108.7	169.8	-89.2	155.9	0	0	0	106.4	M4	L2-M4 PolarHBondContact O-N 3.22Å; L2-M4 VanDerWaalsContact O-N 3.08Å
3	V	40.4	Very low	44.6	Very low	136 Å²	136	130.2 Å²	130.2	82%	0.824	69%	0.688	S	S	*	*			trans	-70.3	102.4	173.8	178.9	0	0	0	0	106.7	M1 A5	M1-V3 PolarHBondContact O-N 3.47Å; V3-A5 PolarHBondContact O-N 3.08Å
4	M	41.8	Very low	44.4	Very low	171 Å²	171	125.1 Å²	125.1	84%	0.842	67%	0.669	S	S	*	*			trans	-69.5	109.2	168.8	-78.4	173.5	57.4	0	0	107.9	L2	L2-M4 PolarHBondContact O-N 3.22Å; L2-M4 VanDerWaalsContact O-N 3.08Å
5	A	44.1	Very low	44.3	Very low	59 Å²	59	120.1 Å²	120.1	49%	0.488	65%	0.651	S	S	.	*			trans	-59.3	141.5	167.9	0	0	0	0	0	109.5	V3 R7	V3-A5 PolarHBondContact O-N 3.08Å; A5-R7 PolarHBondContact O-N 3.08Å
6	P	50.4	Low	44.3	Very low	76 Å²	76	115.5 Å²	115.5	49%	0.494	64%	0.635	S	S	.	*			trans	-61.9	130.2	-179.5	-13.7	26.3	0	0	0	109.7	T8 V9 L10	P6-T8 PolarHBondContact O-N 3.33Å; P6-V9 HydrophobicContact CB-CG2 4.15Å; P6-V9 HydrophobicContact CG-CG2 4.01Å; P6-V9 PolarHBondContact O-N 3.37Å; P6-L10 PolarHBondContact O-N 3.27Å
7	R	49.1	Very low	44.1	Very low	215 Å²	215	115 Å²	115	81%	0.811	63%	0.631	S	S	*	*	H	α-helix	trans	-52	-28.2	179.7	-86.8	177.9	162.1	149.1	-5.6	113.5	A5 L11	A5-R7 PolarHBondContact O-N 3.08Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 2.93Å; R7-L11 VanDerWaalsContact O-N 3.08Å
8	T	50.9	Low	43.7	Very low	95 Å²	95	111.4 Å²	111.4	58%	0.583	62%	0.619	S	S	*	*	H	α-helix	trans	-68.7	-39.5	175.3	38.2	0	0	0	0	113.4	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.33Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L11 PolarHBondContact O-N 3.02Å; T8-L12 WeakPolarHBondContact O-CG 3.27Å; T8-L12 PolarHBondContact O-N 2.93Å
9	V	51.2	Low	43.5	Very low	70 Å²	70	110 Å²	110	42%	0.424	61%	0.61	S	S	.	*	H	α-helix	trans	-68	-38.1	175.6	177.4	0	0	0	0	110.3	P6 L13	P6-V9 HydrophobicContact CB-CG2 4.15Å; P6-V9 HydrophobicContact CG-CG2 4.01Å; P6-V9 PolarHBondContact O-N 3.37Å; V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 WeakPolarHBondContact O-CB 3.36Å; V9-L13 WeakPolarHBondContact O-CD1 3.37Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3.01Å
10	L	44.6	Very low	43.4	Very low	113 Å²	113	108.8 Å²	108.8	59%	0.592	61%	0.605	S	S	*	*	H	α-helix	trans	-64.4	-41	175.9	-144.7	85.6	0	0	0	111.6	P6 T8 S14	P6-L10 PolarHBondContact O-N 3.27Å; T8-L10 VanDerWaalsContact C-N 3.34Å; L10-S14 PolarHBondContact O-N 3.38Å; L10-S14 PolarHBondContact O-OG 3.03Å
11	L	49.7	Very low	43.1	Very low	117 Å²	117	111.6 Å²	111.6	61%	0.613	61%	0.614	S	S	*	*	H	α-helix	trans	-67.5	-43.2	178.6	-75.5	166.9	0	0	0	112.7	R7 T8 S14 A15	R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 2.93Å; R7-L11 VanDerWaalsContact O-N 3.08Å; T8-L11 PolarHBondContact O-N 3.02Å; L11-S14 VanDerWaalsContact CA-OG 3.26Å; L11-S14 WeakPolarHBondContact CA-OG 3.34Å; L11-S14 PolarHBondContact O-N 2.86Å; L11-S14 PolarHBondContact O-OG 2.88Å; L11-A15 PolarHBondContact O-N 2.86Å
12	L	46	Very low	43.6	Very low	128 Å²	128	104.5 Å²	104.5	67%	0.67	58%	0.584	S	S	*	*	H	α-helix	trans	-65.6	-40.1	176.1	-72.7	167.9	0	0	0	112	T8 A15 A16	T8-L12 WeakPolarHBondContact O-CG 3.27Å; T8-L12 PolarHBondContact O-N 2.93Å; L12-A15 PolarHBondContact O-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.26Å; L12-A16 PolarHBondContact O-N 2.98Å
13	L	42	Very low	44.1	Very low	97 Å²	97	98.4 Å²	98.4	51%	0.508	55%	0.549	S	S	.	.	H	α-helix	trans	-65	-39.9	173.7	-78.4	163.9	0	0	0	111.9	V9 A16 L17	V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 WeakPolarHBondContact O-CB 3.36Å; V9-L13 WeakPolarHBondContact O-CD1 3.37Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3.01Å; L13-A16 PolarHBondContact O-N 2.91Å; L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.5Å; L13-L17 WeakPolarHBondContact O-CD1 3.2Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.62Å
14	S	40.6	Very low	44.9	Very low	60 Å²	60	94.9 Å²	94.9	42%	0.42	53%	0.534	S	S	.	.	H	α-helix	trans	-69.8	-31.9	175.3	43.4	0	0	0	0	113.4	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.38Å; L10-S14 PolarHBondContact O-OG 3.03Å; L11-S14 VanDerWaalsContact CA-OG 3.26Å; L11-S14 WeakPolarHBondContact CA-OG 3.34Å; L11-S14 PolarHBondContact O-N 2.86Å; L11-S14 PolarHBondContact O-OG 2.88Å; S14-A18 WeakPolarHBondContact O-CB 3.4Å; S14-A18 PolarHBondContact O-N 3.45Å
15	A	43.8	Very low	46.6	Very low	49 Å²	49	87.9 Å²	87.9	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-69.9	-43.7	172.5	0	0	0	0	0	111.4	L11 L12 A18 L19	L11-A15 PolarHBondContact O-N 2.86Å; L12-A15 PolarHBondContact O-N 3.33Å; A15-A18 PolarHBondContact O-N 2.69Å; A15-L19 VanDerWaalsContact O-CD1 3.29Å; A15-L19 WeakPolarHBondContact O-CD1 3.45Å; A15-L19 PolarHBondContact O-N 3.01Å
16	A	43.9	Very low	49	Very low	47 Å²	47	87.6 Å²	87.6	39%	0.388	50%	0.5	S	S	.	.	H	α-helix	trans	-64.5	-40.5	174.9	0	0	0	0	0	112.2	L12 L13 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.26Å; L12-A16 PolarHBondContact O-N 2.98Å; L13-A16 PolarHBondContact O-N 2.91Å; A16-L19 PolarHBondContact O-N 3.04Å; A16-T20 WeakPolarHBondContact O-CG2 3.26Å; A16-T20 PolarHBondContact O-N 3.43Å; A16-T20 PolarHBondContact O-OG1 3.48Å
17	L	40.1	Very low	51.2	Low	107 Å²	107	85.5 Å²	85.5	56%	0.56	48%	0.484	S	S	*	.	H	α-helix	trans	-67.5	-40.6	176.1	-79.6	161.6	0	0	0	112.2	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.5Å; L13-L17 WeakPolarHBondContact O-CD1 3.2Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.62Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 2.8Å; L17-T20 VanDerWaalsContact CA-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-N 2.83Å; L17-T20 PolarHBondContact O-OG1 3.39Å; L17-E21 PolarHBondContact O-N 2.99Å
18	A	38.6	Very low	53.5	Low	51 Å²	51	76.5 Å²	76.5	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-38.5	174.5	0	0	0	0	0	111.7	S14 A15 T22	S14-A18 WeakPolarHBondContact O-CB 3.4Å; S14-A18 PolarHBondContact O-N 3.45Å; A15-A18 PolarHBondContact O-N 2.69Å; A18-T22 VanDerWaalsContact O-CG2 3.25Å; A18-T22 WeakPolarHBondContact O-CG2 3.23Å; A18-T22 PolarHBondContact O-N 3.19Å; A18-T22 VanDerWaalsContact O-N 3.11Å; A18-T22 PolarHBondContact O-OG1 2.66Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å
19	L	39.3	Very low	55.8	Low	84 Å²	84	72 Å²	72	44%	0.44	43%	0.426	S	S	.	.	H	α-helix	trans	-67.9	-34.2	173	-95.2	118.9	0	0	0	112.9	A15 A16 L17 T22	A15-L19 VanDerWaalsContact O-CD1 3.29Å; A15-L19 WeakPolarHBondContact O-CD1 3.45Å; A15-L19 PolarHBondContact O-N 3.01Å; A16-L19 PolarHBondContact O-N 3.04Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 2.8Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-OG1 2.92Å; L19-T22 VanDerWaalsContact O-OG1 3.09Å
20	T	40.6	Very low	58	Low	86 Å²	86	71.1 Å²	71.1	53%	0.528	42%	0.415	S	S	.	.	H	α-helix	trans	-74	-33.3	175.7	53.6	0	0	0	0	113.3	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.26Å; A16-T20 PolarHBondContact O-N 3.43Å; A16-T20 PolarHBondContact O-OG1 3.48Å; L17-T20 VanDerWaalsContact CA-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-N 2.83Å; L17-T20 PolarHBondContact O-OG1 3.39Å
21	E	37.9	Very low	60.6	Low	167 Å²	167	66.5 Å²	66.5	78%	0.78	39%	0.39	S	S	*	.	H	α-helix	trans	-73.8	-29	175.1	-93.8	-173.1	158	0	0	112.6	L17	L17-E21 PolarHBondContact O-N 2.99Å
22	T	44.2	Very low	63	Low	91 Å²	91	64.9 Å²	64.9	56%	0.558	38%	0.378	S	S	*	.	H	α-helix	trans	-78.3	-19.4	179.3	52.2	0	0	0	0	114.1	A18 L19	A18-T22 VanDerWaalsContact O-CG2 3.25Å; A18-T22 WeakPolarHBondContact O-CG2 3.23Å; A18-T22 PolarHBondContact O-N 3.19Å; A18-T22 VanDerWaalsContact O-N 3.11Å; A18-T22 PolarHBondContact O-OG1 2.66Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-OG1 2.92Å; L19-T22 VanDerWaalsContact O-OG1 3.09Å
23	W	47.3	Very low	65.5	Low	48 Å²	48	59 Å²	59	18%	0.182	35%	0.347	C	S	.	.	H	α-helix	trans	-88.6	-30.8	-175.1	-86.2	52	0	0	0	114.4	G25 E236 E288	W23-G25 PolarHBondContact O-N 3.06Å; W23-G25 VanDerWaalsContact O-N 3.12Å; W23-E236 HydrophobicContact CH2-CB 3.69Å; W23-E236 HydrophobicContact CH2-CG 3.23Å; W23-E236 WeakPolarHBondContact CH2-O 3.29Å; W23-E236 HydrophobicContact CZ2-CB 4.01Å; W23-E236 HydrophobicContact CZ2-CG 3.06Å; W23-E236 HydrophobicContact CZ3-CB 4.04Å; W23-E236 HydrophobicContact CZ3-CG 4.01Å; W23-E236 WeakPolarHBondContact CZ3-O 3.22Å; W23-E288 HydrophobicContact CE3-CB 3.81Å; W23-E288 HydrophobicContact CE3-CG 4.45Å; W23-E288 HydrophobicContact CZ3-CB 4.29Å
24	A	56.3	Low	68.2	Low	62 Å²	62	56 Å²	56	51%	0.512	33%	0.333	S	S	.	.	S	Bend	trans	-79.7	101.6	-175.7	0	0	0	0	0	111
25	G	78.6	Confident	70.9	Confident	23 Å²	23	53.2 Å²	53.2	24%	0.237	31%	0.314	C	S	.	.	S	Bend	trans	90.3	15.7	161.3	0	0	0	0	0	117.1	W23 G128 P129	W23-G25 PolarHBondContact O-N 3.06Å; W23-G25 VanDerWaalsContact O-N 3.12Å; G25-G128 CarbonylContact O-C 3.6Å; G25-P129 WeakPolarHBondContact O-CA 3.06Å; G25-P129 WeakPolarHBondContact O-CG 3.03Å
26	S	92.8	Very high	73.5	Confident	54 Å²	54	53.7 Å²	53.7	38%	0.378	31%	0.308	S	S	.	.			trans	-83.9	145.1	161	65	0	0	0	0	110.3	V127	S26-V127 CarbonylContact C-O 3.53Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.19Å; S26-V127 WeakPolarHBondContact CB-O 3.35Å
27	H	96.8	Very high	76.1	Confident	31 Å²	31	52.4 Å²	52.4	14%	0.144	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157.3	178.4	-67	-77.4	0	0	0	111	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 3.49Å; H27-D53 IonicContact CG-OD2 2.83Å; H27-D53 IonicContact ND1-OD1 3.2Å; H27-D53 IonicContact ND1-OD2 2.75Å; H27-D53 PolarHBondContact ND1-OD2 3.09Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.11Å; H27-V127 HydrophobicContact CB-CG2 4.05Å; H27-V127 PolarHBondContact N-O 2.92Å; H27-V127 PolarHBondContact O-N 3.14Å; H27-L192 HydrophobicContact CB-CD1 4.41Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.3Å
28	S	98.1	Very high	78.7	Confident	26 Å²	26	50.8 Å²	50.8	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.2	177.8	64.2	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; S28-D53 PolarHBondContact N-OD1 2.98Å; S28-D53 PolarHBondContact O-N 3.48Å; S28-C125 VanDerWaalsContact CA-O 3.32Å; S28-C125 WeakPolarHBondContact CA-O 3.46Å; S28-D126 WeakPolarHBondContact CB-OD1 3.21Å
29	M	98.8	Very high	81.3	Confident	2 Å²	2	51 Å²	51	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.4	165.7	-174.9	169.8	64.4	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.32Å; M29-Y31 HydrophobicContact CG-CE2 4.19Å; M29-Y31 HydrophobicContact SD-CE2 4.16Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.25Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; M29-F57 HydrophobicContact CG-CE1 4.36Å; M29-F57 HydrophobicContact CG-CZ 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.23Å; M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.27Å; M29-C125 PolarHBondContact N-O 3.36Å; M29-C125 PolarHBondContact O-N 2.89Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.34Å; M29-C188 WeakPolarHBondContact CE-SG 3.32Å; M29-W191 HydrophobicContact CE-CB 4.1Å; M29-W191 HydrophobicContact SD-CB 4.49Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.41Å; M29-L192 HydrophobicContact SD-CB 4.46Å; M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.47Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.24Å
30	R	98.7	Very high	83.7	Confident	51 Å²	51	51.2 Å²	51.2	19%	0.192	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.6	-177.4	-57.7	-62.8	-178.2	75.6	6.1	110.9	F32 G50 Y51 Y123 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; R30-Y51 PolarHBondContact N-O 3.39Å; R30-Y51 PolarHBondContact O-N 2.8Å; R30-Y123 WeakPolarHBondContact CA-O 3.41Å; R30-D126 IonicContact CZ-OD1 2.66Å; R30-D126 IonicContact NE-OD1 3.6Å; R30-D126 PolarHBondContact NE-OD1 3.29Å; R30-D126 VanDerWaalsContact NH2-CG 3.3Å; R30-D126 IonicContact NH2-OD1 3.01Å; R30-D126 PolarHBondContact NH2-OD1 3.34Å; R30-D126 IonicContact NH2-OD2 2.79Å; R30-D126 PolarHBondContact NH2-OD2 3.11Å; R30-D126 VanDerWaalsContact NH2-OD2 3.1Å; R30-H137 PolarHBondContact NH2-NE2 2.86Å; R30-H137 VanDerWaalsContact NH2-NE2 3.13Å
31	Y	98.8	Very high	86.2	Confident	15 Å²	15	57 Å²	57	6%	0.059	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.2	167.7	-71.5	-92.5	0	0	0	109.2	M29 V49 F57 V58 F91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.32Å; M29-Y31 HydrophobicContact CG-CE2 4.19Å; M29-Y31 HydrophobicContact SD-CE2 4.16Å; Y31-V49 WeakPolarHBondContact CA-O 3.37Å; Y31-F57 HydrophobicContact CE1-CZ 4.17Å; Y31-F57 HydrophobicContact CE2-CZ 4.38Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; Y31-V58 HydrophobicContact CE1-CG2 3.87Å; Y31-F91 HydrophobicContact CD1-CZ 4.26Å; Y31-F91 HydrophobicContact CE1-CZ 4.13Å; Y31-M122 WeakPolarHBondContact O-CA 3.42Å; Y31-Y123 HydrophobicContact CD2-CD2 4.34Å; Y31-Y123 AromaticContact CD2-CE2 3.67Å; Y31-Y123 HydrophobicContact CD2-CE2 3.67Å; Y31-Y123 AromaticContact CG-CE2 3.87Å; Y31-Y123 HydrophobicContact CG-CE2 3.87Å; Y31-Y123 AromaticContact CG-CZ 3.8Å; Y31-Y123 PolarHBondContact N-O 2.69Å; Y31-Y123 PolarHBondContact O-N 3.46Å; Y31-Y123 VanDerWaalsContact O-N 3.17Å
32	F	98.9	Very high	88.7	Confident	84 Å²	84	51.8 Å²	51.8	37%	0.368	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.8	176.3	-57.6	-93.8	0	0	0	108.5	R30 S48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-S48 WeakPolarHBondContact O-CA 3.1Å; F32-V49 HydrophobicContact CB-CG2 3.91Å; F32-V49 HydrophobicContact CD2-CG2 4.35Å; F32-V49 PolarHBondContact N-O 3.1Å; F32-V49 PolarHBondContact O-N 3.11Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; F32-S121 WeakPolarHBondContact CA-O 3.34Å; F32-M122 HydrophobicContact CD1-CB 4.05Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.21Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CZ-CG 4.07Å
33	D	98.7	Very high	91.1	Very high	4 Å²	4	52 Å²	52	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.1	176.7	-56.4	-14.9	0	0	0	109.2	F46 I47 S48 Q120 S121	D33-F46 HydrophobicContact CB-CE2 3.77Å; D33-F46 HydrophobicContact CB-CZ 3.82Å; D33-I47 CarbonylContact C-O 3.48Å; D33-I47 WeakPolarHBondContact CA-O 3.47Å; D33-S48 WeakPolarHBondContact OD1-CB 3.36Å; D33-S48 PolarHBondContact OD1-OG 2.85Å; D33-Q120 VanDerWaalsContact O-CA 3.31Å; D33-Q120 WeakPolarHBondContact O-CA 3.49Å; D33-S121 WeakPolarHBondContact CB-OG 3.45Å; D33-S121 PolarHBondContact N-O 3.27Å; D33-S121 PolarHBondContact O-N 3.36Å
34	T	98.8	Very high	93.5	Very high	35 Å²	35	50.8 Å²	50.8	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	116.2	177.4	-61	0	0	0	0	109.7	M36 F46 I47 T118 L119 Q120	T34-M36 HydrophobicContact CG2-CE 4.12Å; T34-M36 HydrophobicContact CG2-CG 4.02Å; T34-M36 HydrophobicContact CG2-SD 4.25Å; T34-F46 WeakPolarHBondContact O-CA 3.37Å; T34-I47 PolarHBondContact N-O 2.87Å; T34-I47 PolarHBondContact O-N 2.87Å; T34-T118 HydrophobicContact CG2-CG2 3.92Å; T34-L119 WeakPolarHBondContact CA-O 3.29Å; T34-Q120 HydrophobicContact CG2-CG 4.21Å
35	A	98.6	Very high	95.5	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.7	173.6	0	0	0	0	0	110.3	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.49Å; A35-R45 VanDerWaalsContact CA-O 3.32Å; A35-R45 WeakPolarHBondContact CA-O 3.33Å; A35-F46 HydrophobicContact CB-CD2 4.24Å; A35-D98 HydrophobicContact CB-CB 3.65Å; A35-L102 HydrophobicContact CB-CD1 3.89Å; A35-T118 WeakPolarHBondContact O-CA 3.44Å; A35-L119 HydrophobicContact CB-CB 4.42Å; A35-L119 PolarHBondContact N-O 2.97Å; A35-L119 PolarHBondContact O-N 3.38Å
36	M	98.3	Very high	96.4	Very high	59 Å²	59	50.6 Å²	50.6	29%	0.291	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.5	-177.8	-66.8	161.9	-76.1	0	0	109.8	T34 P44 R45 I47 T118	T34-M36 HydrophobicContact CG2-CE 4.12Å; T34-M36 HydrophobicContact CG2-CG 4.02Å; T34-M36 HydrophobicContact CG2-SD 4.25Å; M36-P44 CarbonylContact O-C 3.58Å; M36-P44 WeakPolarHBondContact O-CA 3.25Å; M36-P44 WeakPolarHBondContact O-CB 3.41Å; M36-R45 HydrophobicContact CE-CB 4.46Å; M36-R45 HydrophobicContact CE-CG 4.47Å; M36-R45 PolarHBondContact N-O 2.92Å; M36-R45 PolarHBondContact O-N 3.47Å; M36-I47 HydrophobicContact CE-CD1 3.92Å; M36-I47 HydrophobicContact CE-CG1 4.39Å; M36-T118 HydrophobicContact CG-CG2 4.05Å
37	S	97.5	Very high	96.7	Very high	20 Å²	20	49.8 Å²	49.8	14%	0.14	27%	0.268	C	S	.	.			trans	-68.7	147.5	171.9	78	0	0	0	0	110.4	S116 H117	S37-S116 PolarHBondContact O-OG 3.36Å; S37-H117 PolarHBondContact N-O 2.86Å; S37-H117 PolarHBondContact OG-N 2.98Å; S37-H117 PolarHBondContact OG-O 2.88Å
38	R	95.6	Very high	96.8	Very high	72 Å²	72	48.4 Å²	48.4	27%	0.272	26%	0.262	S	S	.	.			trans	-141.7	72.8	-179.4	53	175.2	175.7	-160.9	-10.4	111.1	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.18Å; R38-R41 HydrophobicContact CB-CB 4.16Å; R38-R41 WeakPolarHBondContact CD-O 3.47Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 2.94Å; R38-R41 PolarHBondContact O-N 3.36Å; R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 2.92Å; R38-E43 PolarHBondContact NH2-O 3.04Å; R38-D63 IonicContact CZ-OD1 3.32Å; R38-D63 IonicContact CZ-OD2 3.48Å; R38-D63 IonicContact NH1-OD1 2.65Å; R38-D63 PolarHBondContact NH1-OD1 2.9Å; R38-D63 IonicContact NH1-OD2 3.38Å; R38-D63 PolarHBondContact NH1-OD2 2.82Å; R38-D63 IonicContact NH2-OD1 3.78Å; R38-D63 PolarHBondContact NH2-OD1 3.06Å; R38-D63 IonicContact NH2-OD2 3.56Å
39	P	91.9	Very high	96.8	Very high	56 Å²	56	48.6 Å²	48.6	36%	0.364	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	129.7	-175.9	-26.5	34.1	0	0	0	112.5	R41 E113 G115	P39-R41 VanDerWaalsContact C-N 3.25Å; P39-R41 PolarHBondContact O-N 3.03Å; P39-E113 WeakPolarHBondContact CB-O 3.21Å; P39-E113 WeakPolarHBondContact CG-O 3.41Å; P39-G115 WeakPolarHBondContact CG-O 3.22Å
40	G	90.8	Very high	96.8	Very high	88 Å²	88	48.5 Å²	48.5	91%	0.907	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	2.4	-178.1	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 3.18Å
41	R	92.9	Very high	96.8	Very high	209 Å²	209	49.4 Å²	49.4	79%	0.789	27%	0.265	S	S	*	.	S	Bend	trans	-124.5	23	179.3	-59.5	-174.5	-178.1	174.5	1.4	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.16Å; R38-R41 WeakPolarHBondContact CD-O 3.47Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 2.94Å; R38-R41 PolarHBondContact O-N 3.36Å; P39-R41 VanDerWaalsContact C-N 3.25Å; P39-R41 PolarHBondContact O-N 3.03Å
42	G	91.4	Very high	96.8	Very high	57 Å²	57	48.7 Å²	48.7	59%	0.588	26%	0.263	S	S	*	.	S	Bend	trans	100.9	-164.3	178.7	0	0	0	0	0	113.7
43	E	94.5	Very high	96.7	Very high	95 Å²	95	46.1 Å²	46.1	44%	0.444	25%	0.253	S	S	.	.	S	Bend	trans	-71.3	156.1	-179.8	-65.4	-57.9	163.5	0	0	112.3	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 2.92Å; R38-E43 PolarHBondContact NH2-O 3.04Å; E43-R45 PolarHBondContact O-N 3.31Å; E43-R99 IonicContact OE1-CZ 3.07Å; E43-R99 IonicContact OE1-NE 3.74Å; E43-R99 IonicContact OE1-NH2 2.86Å; E43-R99 PolarHBondContact OE1-NH2 2.89Å; E43-R99 IonicContact OE2-CZ 3.6Å; E43-R99 IonicContact OE2-NE 2.77Å; E43-R99 PolarHBondContact OE2-NE 3.33Å; E43-R99 IonicContact OE2-NH2 3.58Å; E43-R99 PolarHBondContact OE2-NH2 2.88Å; E43-R99 VanDerWaalsContact OE2-NH2 3.09Å
44	P	96.4	Very high	96.6	Very high	22 Å²	22	48.8 Å²	48.8	14%	0.143	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-51.3	135.7	173.9	-25.9	34.9	0	0	0	111.9	M36 R99 L102	M36-P44 CarbonylContact O-C 3.58Å; M36-P44 WeakPolarHBondContact O-CA 3.25Å; M36-P44 WeakPolarHBondContact O-CB 3.41Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.15Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.93Å
45	R	98.1	Very high	96.5	Very high	80 Å²	80	47.8 Å²	47.8	30%	0.302	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.2	173.7	-177.1	-177.5	-175.9	-179	-1.3	108.7	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.49Å; A35-R45 VanDerWaalsContact CA-O 3.32Å; A35-R45 WeakPolarHBondContact CA-O 3.33Å; M36-R45 HydrophobicContact CE-CB 4.46Å; M36-R45 HydrophobicContact CE-CG 4.47Å; M36-R45 PolarHBondContact N-O 2.92Å; M36-R45 PolarHBondContact O-N 3.47Å; E43-R45 PolarHBondContact O-N 3.31Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; R45-D61 IonicContact CZ-OD1 3.75Å; R45-D61 IonicContact CZ-OD2 3.62Å; R45-D61 IonicContact NE-OD1 2.64Å; R45-D61 PolarHBondContact NE-OD1 3.23Å; R45-D61 IonicContact NE-OD2 2.73Å; R45-D61 IonicContact NH2-OD1 3.05Å; R45-D61 PolarHBondContact NH2-OD1 3.26Å; R45-D61 IonicContact NH2-OD2 3.09Å; R45-D61 PolarHBondContact NH2-OD2 2.67Å; R45-S62 WeakPolarHBondContact CA-OG 3.49Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.46Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 2.72Å
46	F	98.6	Very high	96.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.4	175.9	177.6	-89	0	0	0	109.9	D33 T34 A35 F60 S62 F91 N94 T95 D98	D33-F46 HydrophobicContact CB-CE2 3.77Å; D33-F46 HydrophobicContact CB-CZ 3.82Å; T34-F46 WeakPolarHBondContact O-CA 3.37Å; A35-F46 HydrophobicContact CB-CD2 4.24Å; F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CE1 4.36Å; F46-S62 PolarHBondContact N-OG 3.44Å; F46-S62 PolarHBondContact O-N 3Å; F46-S62 PolarHBondContact O-OG 3.25Å; F46-F91 HydrophobicContact CE1-CB 4.27Å; F46-F91 HydrophobicContact CE1-CD1 4.1Å; F46-F91 HydrophobicContact CZ-CD1 4.38Å; F46-N94 HydrophobicContact CE2-CB 4.08Å; F46-N94 HydrophobicContact CZ-CB 3.8Å; F46-T95 HydrophobicContact CB-CG2 3.86Å; F46-T95 VanDerWaalsContact CD1-OG1 3.28Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.32Å; F46-T95 HydrophobicContact CG-CG2 4.49Å; F46-T95 WeakPolarHBondContact CG-OG1 3.18Å; F46-D98 HydrophobicContact CD2-CB 4.33Å; F46-D98 VanDerWaalsContact CE2-OD2 3.29Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.39Å
47	I	98.8	Very high	96.5	Very high	37 Å²	37	47.6 Å²	47.6	19%	0.19	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.3	174.9	-57.7	175.4	0	0	0	107.4	D33 T34 M36 R45 V49 F60	D33-I47 CarbonylContact C-O 3.48Å; D33-I47 WeakPolarHBondContact CA-O 3.47Å; T34-I47 PolarHBondContact N-O 2.87Å; T34-I47 PolarHBondContact O-N 2.87Å; M36-I47 HydrophobicContact CE-CD1 3.92Å; M36-I47 HydrophobicContact CE-CG1 4.39Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; I47-F60 WeakPolarHBondContact CA-O 3.1Å
48	S	98.8	Very high	96.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140	169.5	-178.4	0	0	0	0	109.9	F32 D33 R59 F60 F91	F32-S48 WeakPolarHBondContact O-CA 3.1Å; D33-S48 WeakPolarHBondContact OD1-CB 3.36Å; D33-S48 PolarHBondContact OD1-OG 2.85Å; S48-R59 CarbonylContact O-C 3.56Å; S48-R59 VanDerWaalsContact O-CA 3.31Å; S48-R59 WeakPolarHBondContact O-CA 3.42Å; S48-F60 PolarHBondContact N-O 3.31Å; S48-F60 PolarHBondContact O-N 2.83Å; S48-F91 WeakPolarHBondContact OG-CE1 3.4Å
49	V	98.9	Very high	96.7	Very high	30 Å²	30	47.2 Å²	47.2	18%	0.182	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.5	171.8	-64.3	0	0	0	0	110.1	Y31 F32 I47 Y51 Q56 R59	Y31-V49 WeakPolarHBondContact CA-O 3.37Å; F32-V49 HydrophobicContact CB-CG2 3.91Å; F32-V49 HydrophobicContact CD2-CG2 4.35Å; F32-V49 PolarHBondContact N-O 3.1Å; F32-V49 PolarHBondContact O-N 3.11Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; V49-R59 HydrophobicContact CG1-CB 4.4Å; V49-R59 HydrophobicContact CG1-CG 4.18Å
50	G	98.7	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137	177.1	0	0	0	0	0	111.2	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; G50-Q56 WeakPolarHBondContact O-CA 3.46Å; G50-Q56 WeakPolarHBondContact O-CG 3.32Å; G50-F57 WeakPolarHBondContact O-CD1 3.31Å; G50-F57 PolarHBondContact O-N 2.95Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.98Å
51	Y	98.7	Very high	97.4	Very high	70 Å²	70	41.2 Å²	41.2	28%	0.275	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.2	178.2	-78.5	-102.5	0	0	0	111.1	M29 R30 F32 V49 T55 Q56 F57	M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.25Å; R30-Y51 PolarHBondContact N-O 3.39Å; R30-Y51 PolarHBondContact O-N 2.8Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-Q56 HydrophobicContact CD1-CB 4.05Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.28Å; Y51-Q56 HydrophobicContact CE1-CB 3.56Å; Y51-Q56 HydrophobicContact CE1-CG 4.3Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Y51-F57 VanDerWaalsContact N-CE1 3.35Å
52	V	98.5	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.1	157.2	177.2	0	0	0	0	106.4	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; V52-D54 PolarHBondContact O-N 3.48Å; V52-T55 PolarHBondContact N-O 2.81Å; V52-T55 WeakPolarHBondContact O-CB 2.95Å; V52-T55 PolarHBondContact O-N 3.33Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 3.98Å; V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å
53	D	96.8	Very high	97.9	Very high	31 Å²	31	33.1 Å²	33.1	17%	0.166	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-127	-166.1	-51	-40.2	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 3.49Å; H27-D53 IonicContact CG-OD2 2.83Å; H27-D53 IonicContact ND1-OD1 3.2Å; H27-D53 IonicContact ND1-OD2 2.75Å; H27-D53 PolarHBondContact ND1-OD2 3.09Å; S28-D53 PolarHBondContact N-OD1 2.98Å; S28-D53 PolarHBondContact O-N 3.48Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.21Å
54	D	96.8	Very high	98.1	Very high	59 Å²	59	30.2 Å²	30.2	32%	0.316	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	11.9	177.8	-60.3	-57.4	0	0	0	113.9	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.48Å; D54-Y233 HydrophobicContact CB-CE2 3.91Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.04Å; D54-A235 PolarHBondContact OD2-N 2.92Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	97.1	Very high	98.1	Very high	14 Å²	14	34.8 Å²	34.8	9%	0.086	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.3	-178.3	-57.4	0	0	0	0	111.5	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.33Å; V52-T55 PolarHBondContact N-O 2.81Å; V52-T55 WeakPolarHBondContact O-CB 2.95Å; V52-T55 PolarHBondContact O-N 3.33Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.21Å; T55-F57 PolarHBondContact O-N 3.17Å; T55-L203 HydrophobicContact CG2-CD2 4.13Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.16Å; T55-Y233 PolarHBondContact OG1-OH 2.86Å; T55-R263 PolarHBondContact OG1-NE 2.86Å
56	Q	97.9	Very high	98	Very high	56 Å²	56	34.7 Å²	34.7	26%	0.262	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.8	172.5	-166.1	179.6	-0.3	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; G50-Q56 WeakPolarHBondContact O-CA 3.46Å; G50-Q56 WeakPolarHBondContact O-CG 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 4.05Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.28Å; Y51-Q56 HydrophobicContact CE1-CB 3.56Å; Y51-Q56 HydrophobicContact CE1-CG 4.3Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 2.78Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.37Å
57	F	98.3	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-23.2	-179.8	74.2	-83	0	0	0	114.5	M29 Y31 G50 Y51 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.36Å; M29-F57 HydrophobicContact CG-CZ 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.23Å; Y31-F57 HydrophobicContact CE1-CZ 4.17Å; Y31-F57 HydrophobicContact CE2-CZ 4.38Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.31Å; G50-F57 PolarHBondContact O-N 2.95Å; Y51-F57 VanDerWaalsContact N-CE1 3.35Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 3.98Å; T55-F57 PolarHBondContact O-N 3.17Å; F57-R72 PolarHBondContact O-N 2.92Å; F57-A73 HydrophobicContact CB-CB 4.13Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 HydrophobicContact CD1-CH2 4.06Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CZ3 4.1Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; F57-I76 HydrophobicContact CD2-CB 4.46Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.34Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.12Å; F57-Y195 HydrophobicContact CD2-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.92Å; F57-Y195 HydrophobicContact CZ-CD2 4.27Å; F57-Y195 AromaticContact CZ-CE2 3.73Å; F57-Y195 HydrophobicContact CZ-CE2 3.73Å
58	V	98.6	Very high	97.9	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158	177.1	-71.7	0	0	0	0	112.5	Y31 G50 Q56 E69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.87Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.98Å; Q56-V58 PolarHBondContact NE2-O 2.78Å; V58-E69 HydrophobicContact CB-CG 3.93Å; V58-E69 WeakPolarHBondContact CB-OE1 3.46Å; V58-E69 HydrophobicContact CG1-CG 4.03Å; V58-E69 WeakPolarHBondContact CG1-OE1 3.46Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.21Å; V58-E70 WeakPolarHBondContact CA-O 3.18Å; V58-I76 HydrophobicContact CG1-CG1 4.3Å; V58-W84 HydrophobicContact CG1-CH2 4.2Å; V58-W84 HydrophobicContact CG1-CZ3 3.97Å
59	R	98.6	Very high	97.9	Very high	83 Å²	83	41.3 Å²	41.3	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	144.9	171.4	177.3	175.2	169.3	-177.3	-3.8	110.9	S48 V49 D61 E69 E70 R72	S48-R59 CarbonylContact O-C 3.56Å; S48-R59 VanDerWaalsContact O-CA 3.31Å; S48-R59 WeakPolarHBondContact O-CA 3.42Å; V49-R59 HydrophobicContact CG1-CB 4.4Å; V49-R59 HydrophobicContact CG1-CG 4.18Å; R59-D61 IonicContact CZ-OD2 3.77Å; R59-D61 IonicContact NH2-OD2 3.69Å; R59-D61 PolarHBondContact NH2-OD2 2.03Å; R59-E69 WeakPolarHBondContact O-CA 3.4Å; R59-E70 PolarHBondContact N-O 3.06Å; R59-E70 PolarHBondContact O-N 2.8Å; R59-R72 HydrophobicContact CB-CG 3.99Å
60	F	98.8	Very high	97.8	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143	165.1	179.6	-86	0	0	0	109.9	F46 I47 S48 P67 F91 K92	F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CE1 4.36Å; I47-F60 WeakPolarHBondContact CA-O 3.1Å; S48-F60 PolarHBondContact N-O 3.31Å; S48-F60 PolarHBondContact O-N 2.83Å; F60-P67 HydrophobicContact CE2-CB 3.95Å; F60-P67 HydrophobicContact CZ-CB 3.71Å; F60-F91 HydrophobicContact CB-CB 4.15Å; F60-F91 HydrophobicContact CB-CD2 3.85Å; F60-F91 HydrophobicContact CB-CE2 4.42Å; F60-F91 HydrophobicContact CB-CG 3.94Å; F60-F91 HydrophobicContact CD1-CB 3.8Å; F60-F91 HydrophobicContact CD1-CG 4.44Å; F60-F91 HydrophobicContact CD2-CB 3.61Å; F60-F91 HydrophobicContact CD2-CD2 4.1Å; F60-F91 HydrophobicContact CD2-CG 4.17Å; F60-F91 HydrophobicContact CE1-CB 4.04Å; F60-F91 HydrophobicContact CE2-CB 3.88Å; F60-F91 HydrophobicContact CG-CB 3.58Å; F60-F91 HydrophobicContact CG-CD2 4.11Å; F60-F91 AromaticContact CG-CG 3.94Å; F60-F91 HydrophobicContact CG-CG 3.94Å; F60-F91 HydrophobicContact CZ-CB 4.08Å; F60-K92 HydrophobicContact CE2-CG 4.37Å; F60-K92 HydrophobicContact CZ-CG 4.13Å
61	D	98.6	Very high	97.8	Very high	15 Å²	15	46 Å²	46	8%	0.08	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	118.2	176.5	-163.5	-27.6	0	0	0	109.9	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.75Å; R45-D61 IonicContact CZ-OD2 3.62Å; R45-D61 IonicContact NE-OD1 2.64Å; R45-D61 PolarHBondContact NE-OD1 3.23Å; R45-D61 IonicContact NE-OD2 2.73Å; R45-D61 IonicContact NH2-OD1 3.05Å; R45-D61 PolarHBondContact NH2-OD1 3.26Å; R45-D61 IonicContact NH2-OD2 3.09Å; R45-D61 PolarHBondContact NH2-OD2 2.67Å; R59-D61 IonicContact CZ-OD2 3.77Å; R59-D61 IonicContact NH2-OD2 3.69Å; R59-D61 PolarHBondContact NH2-OD2 2.03Å; D61-D63 PolarHBondContact O-N 2.89Å; D61-D63 PolarHBondContact OD1-N 2.93Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.33Å; D61-A64 PolarHBondContact O-N 3.06Å; D61-A64 VanDerWaalsContact O-N 3.16Å
62	S	98.1	Very high	97.8	Very high	26 Å²	26	48 Å²	48	18%	0.182	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.8	-178.2	70.4	0	0	0	0	113.3	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.49Å; F46-S62 PolarHBondContact N-OG 3.44Å; F46-S62 PolarHBondContact O-N 3Å; F46-S62 PolarHBondContact O-OG 3.25Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.19Å
63	D	97.3	Very high	97.7	Very high	71 Å²	71	48.3 Å²	48.3	38%	0.38	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.4	179.1	-80.6	3.8	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.32Å; R38-D63 IonicContact CZ-OD2 3.48Å; R38-D63 IonicContact NH1-OD1 2.65Å; R38-D63 PolarHBondContact NH1-OD1 2.9Å; R38-D63 IonicContact NH1-OD2 3.38Å; R38-D63 PolarHBondContact NH1-OD2 2.82Å; R38-D63 IonicContact NH2-OD1 3.78Å; R38-D63 PolarHBondContact NH2-OD1 3.06Å; R38-D63 IonicContact NH2-OD2 3.56Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.46Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 2.72Å; D61-D63 PolarHBondContact O-N 2.89Å; D61-D63 PolarHBondContact OD1-N 2.93Å
64	A	97.1	Very high	97.7	Very high	34 Å²	34	51.9 Å²	51.9	28%	0.281	29%	0.289	S	S	.	.	S	Bend	trans	-61.6	149.1	173.7	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.33Å; D61-A64 PolarHBondContact O-N 3.06Å; D61-A64 VanDerWaalsContact O-N 3.16Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 2.94Å; A64-P67 WeakPolarHBondContact O-CD 3.32Å; A64-P67 WeakPolarHBondContact O-CG 3.16Å
65	A	96.6	Very high	97.7	Very high	117 Å²	117	49.9 Å²	49.9	97%	0.967	28%	0.277	S	S	*	.	S	Bend	trans	-59.1	-31.4	180	0	0	0	0	0	112.9
66	S	96.2	Very high	97.7	Very high	78 Å²	78	49.2 Å²	49.2	55%	0.545	27%	0.273	S	S	.	.	S	Bend	trans	-133.4	90.5	169.6	-164	0	0	0	0	108.7	A64 R68	A64-S66 PolarHBondContact O-N 2.94Å; S66-R68 PolarHBondContact O-N 2.79Å
67	P	97.2	Very high	97.6	Very high	35 Å²	35	52.5 Å²	52.5	23%	0.227	29%	0.288	C	S	.	.			trans	-62	113.1	-175.7	-25.1	35.9	0	0	0	111.6	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.95Å; F60-P67 HydrophobicContact CZ-CB 3.71Å; S62-P67 WeakPolarHBondContact O-CG 3.19Å; A64-P67 WeakPolarHBondContact O-CD 3.32Å; A64-P67 WeakPolarHBondContact O-CG 3.16Å; P67-K92 VanDerWaalsContact O-CE 3.27Å; P67-K92 WeakPolarHBondContact O-CE 3.31Å
68	R	98.1	Very high	97.5	Very high	137 Å²	137	58.2 Å²	58.2	52%	0.517	32%	0.315	S	S	.	.			trans	-144.4	155.5	178.2	-66.4	-168.8	173	-153.7	-7.6	109.5	S66 T88	S66-R68 PolarHBondContact O-N 2.79Å; R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.15Å
69	E	98.4	Very high	97.5	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.037	32%	0.317	C	S	.	.			trans	-68.8	131	166.5	-170.8	-173.8	-142.1	0	0	108.5	V58 R59 Y83 W84 N87 T88 F91	V58-E69 HydrophobicContact CB-CG 3.93Å; V58-E69 WeakPolarHBondContact CB-OE1 3.46Å; V58-E69 HydrophobicContact CG1-CG 4.03Å; V58-E69 WeakPolarHBondContact CG1-OE1 3.46Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.21Å; R59-E69 WeakPolarHBondContact O-CA 3.4Å; E69-Y83 WeakPolarHBondContact OE2-CE1 3.41Å; E69-W84 HydrophobicContact CB-CE3 4.19Å; E69-W84 HydrophobicContact CB-CZ3 4.47Å; E69-W84 HydrophobicContact CG-CE3 4.14Å; E69-W84 HydrophobicContact CG-CZ3 3.95Å; E69-N87 WeakPolarHBondContact OE2-CB 3.32Å; E69-N87 PolarHBondContact OE2-ND2 3.13Å; E69-T88 PolarHBondContact N-OG1 3.23Å; E69-F91 HydrophobicContact CB-CD2 4.16Å; E69-F91 HydrophobicContact CB-CE2 4.15Å; E69-F91 HydrophobicContact CG-CD2 4.35Å; E69-F91 HydrophobicContact CG-CE2 3.84Å; E69-F91 WeakPolarHBondContact OE1-CE2 3.4Å
70	E	98.3	Very high	97.4	Very high	78 Å²	78	56.6 Å²	56.6	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139	-176.8	-63.7	176.3	157.8	0	0	110.5	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.18Å; R59-E70 PolarHBondContact N-O 3.06Å; R59-E70 PolarHBondContact O-N 2.8Å; E70-R72 IonicContact OE2-CZ 3.36Å; E70-R72 IonicContact OE2-NH2 3.82Å; E70-R72 PolarHBondContact OE2-NH2 2.91Å
71	P	98.3	Very high	97.3	Very high	50 Å²	50	61 Å²	61	33%	0.325	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	144.7	174.4	28.2	-34.2	0	0	0	111.3	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.69Å; P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.08Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.09Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.46Å
72	R	97.8	Very high	97.3	Very high	113 Å²	113	68.3 Å²	68.3	43%	0.426	38%	0.383	S	S	.	.			trans	-127.6	-1.2	174.6	-59.3	-64.7	171.7	-177.8	-2.2	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; F57-R72 PolarHBondContact O-N 2.92Å; R59-R72 HydrophobicContact CB-CG 3.99Å; E70-R72 IonicContact OE2-CZ 3.36Å; E70-R72 IonicContact OE2-NH2 3.82Å; E70-R72 PolarHBondContact OE2-NH2 2.91Å
73	A	96.4	Very high	97.3	Very high	5 Å²	5	67.6 Å²	67.6	4%	0.041	38%	0.376	C	S	.	.	S	Bend	trans	-137.6	144.6	173.6	0	0	0	0	0	111.2	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.13Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.21Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 3.23Å; A73-I76 WeakPolarHBondContact O-CG2 3.22Å; A73-I76 PolarHBondContact O-N 3.18Å
74	P	96.8	Very high	97.3	Very high	107 Å²	107	66.1 Å²	66.1	70%	0.695	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-59.1	-36.3	-177.5	-26.8	35.1	0	0	0	114.2	I76 E77	P74-I76 PolarHBondContact O-N 3.17Å; P74-E77 WeakPolarHBondContact O-CB 3.43Å; P74-E77 PolarHBondContact O-N 3.2Å
75	W	96.6	Very high	97.4	Very high	17 Å²	17	68.8 Å²	68.8	6%	0.064	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-71.1	-14.4	-176	53.8	-104.7	0	0	0	114.1	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.46Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 HydrophobicContact CD1-CH2 4.06Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CZ3 4.1Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.21Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 3.23Å; W75-Q78 WeakPolarHBondContact O-CG 3.4Å; W75-Q78 PolarHBondContact O-NE2 3.05Å; W75-Y195 HydrophobicContact CE3-CD1 4.45Å; W75-Y195 HydrophobicContact CH2-CD2 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.16Å; W75-Y195 AromaticContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD2 4.29Å; W75-Y195 HydrophobicContact CZ3-CE1 4.5Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.15Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å
76	I	97.9	Very high	97.5	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-89.4	-19.9	173.8	-163	71.5	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.46Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.34Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.12Å; V58-I76 HydrophobicContact CG1-CG1 4.3Å; P71-I76 HydrophobicContact CB-CG2 3.69Å; A73-I76 WeakPolarHBondContact O-CG2 3.22Å; A73-I76 PolarHBondContact O-N 3.18Å; P74-I76 PolarHBondContact O-N 3.17Å; I76-Q78 PolarHBondContact O-N 3.44Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.4Å; I76-E79 WeakPolarHBondContact O-CG 3.2Å; I76-E79 PolarHBondContact O-N 2.69Å; I76-Y83 HydrophobicContact CD1-CE1 4.32Å; I76-Y83 HydrophobicContact CG1-CE1 4.31Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4.17Å; I76-W84 HydrophobicContact CG2-CH2 4.05Å; I76-W84 WeakPolarHBondContact O-CZ2 3.39Å; I76-Y195 HydrophobicContact CD1-CD1 3.82Å; I76-Y195 HydrophobicContact CD1-CE1 3.28Å
77	E	96.9	Very high	97.6	Very high	125 Å²	125	66.1 Å²	66.1	58%	0.584	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.2	-177	-65.1	-179.9	-173.1	0	0	113.4	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.08Å; P74-E77 WeakPolarHBondContact O-CB 3.43Å; P74-E77 PolarHBondContact O-N 3.2Å; E77-E79 PolarHBondContact O-N 2.83Å
78	Q	95.8	Very high	97.6	Very high	120 Å²	120	64.9 Å²	64.9	56%	0.561	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.3	175.7	70	-173.1	-33.3	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.4Å; W75-Q78 PolarHBondContact O-NE2 3.05Å; I76-Q78 PolarHBondContact O-N 3.44Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; Q78-N198 PolarHBondContact NE2-ND2 3.11Å
79	E	97.6	Very high	97.6	Very high	13 Å²	13	63.6 Å²	63.6	6%	0.061	32%	0.321	C	S	.	.	S	Bend	trans	-65.6	138	176.8	-66.1	-60	159.2	0	0	111.1	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.4Å; I76-E79 WeakPolarHBondContact O-CG 3.2Å; I76-E79 PolarHBondContact O-N 2.69Å; E77-E79 PolarHBondContact O-N 2.83Å; E79-Y83 HydrophobicContact CB-CD1 3.71Å; E79-Y83 HydrophobicContact CB-CD2 4.43Å; E79-Y83 HydrophobicContact CB-CE1 4.36Å; E79-Y83 HydrophobicContact CB-CG 3.77Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.35Å; E79-Y83 HydrophobicContact CG-CE1 4.45Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; E79-W84 HydrophobicContact CB-CZ2 4.45Å; E79-W84 PolarHBondContact O-NE1 3.06Å; E79-R194 IonicContact OE1-CZ 2.83Å; E79-R194 IonicContact OE1-NE 3.8Å; E79-R194 PolarHBondContact OE1-NE 2.98Å; E79-R194 IonicContact OE1-NH2 3.72Å; E79-R194 PolarHBondContact OE1-NH2 3.41Å; E79-R194 IonicContact OE2-CZ 3.2Å; E79-R194 IonicContact OE2-NE 2.78Å; E79-R194 IonicContact OE2-NH2 3.1Å; E79-R194 PolarHBondContact OE2-NH2 3.24Å; E79-N198 PolarHBondContact OE1-ND2 3.24Å
80	G	97	Very high	97.6	Very high	37 Å²	37	66.7 Å²	66.7	38%	0.381	34%	0.337	S	S	.	.			trans	-71.2	168	-175.5	0	0	0	0	0	113.8	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.25Å; G80-E82 VanDerWaalsContact O-N 3.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.37Å; G80-Y83 PolarHBondContact O-N 2.85Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å
81	P	97.6	Very high	97.6	Very high	96 Å²	96	63.2 Å²	63.2	62%	0.623	32%	0.321	S	S	*	.	H	α-helix	trans	-57.5	-32.5	-178.3	23.1	-33.8	0	0	0	113.5	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.83Å; P81-W84 PolarHBondContact O-N 2.98Å; P81-D85 WeakPolarHBondContact O-CB 3.47Å; P81-D85 PolarHBondContact O-N 2.95Å
82	E	97.8	Very high	97.6	Very high	168 Å²	168	65 Å²	65	79%	0.785	32%	0.323	S	S	*	.	H	α-helix	trans	-60.7	-35.1	177.6	-63.6	-179.7	-178.4	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 3.25Å; G80-E82 VanDerWaalsContact O-N 3.15Å; E82-R86 WeakPolarHBondContact O-CB 3.1Å; E82-R86 PolarHBondContact O-N 2.97Å
83	Y	98	Very high	97.6	Very high	10 Å²	10	63 Å²	63	4%	0.039	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-53.4	175.5	172	-90.4	0	0	0	110.3	E69 I76 E79 G80 P81 D85 R86 N87 W191 Y195	E69-Y83 WeakPolarHBondContact OE2-CE1 3.41Å; I76-Y83 HydrophobicContact CD1-CE1 4.32Å; I76-Y83 HydrophobicContact CG1-CE1 4.31Å; E79-Y83 HydrophobicContact CB-CD1 3.71Å; E79-Y83 HydrophobicContact CB-CD2 4.43Å; E79-Y83 HydrophobicContact CB-CE1 4.36Å; E79-Y83 HydrophobicContact CB-CG 3.77Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.35Å; E79-Y83 HydrophobicContact CG-CE1 4.45Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.37Å; G80-Y83 PolarHBondContact O-N 2.85Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.83Å; Y83-D85 PolarHBondContact O-N 2.76Å; Y83-R86 PolarHBondContact O-N 2.75Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.3Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.18Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.48Å; Y83-N87 WeakPolarHBondContact O-CB 3.34Å; Y83-N87 PolarHBondContact O-N 2.8Å; Y83-N87 PolarHBondContact OH-ND2 2.89Å; Y83-W191 AromaticContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CH2 3.47Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CZ2 4.2Å; Y83-W191 AromaticContact CD2-CZ3 3.66Å; Y83-W191 HydrophobicContact CD2-CZ3 3.66Å; Y83-W191 HydrophobicContact CE2-CE3 4.11Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CZ2 4.49Å; Y83-W191 AromaticContact CE2-CZ3 3.63Å; Y83-W191 HydrophobicContact CE2-CZ3 3.63Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 2.79Å
84	W	98.4	Very high	97.6	Very high	40 Å²	40	64.6 Å²	64.6	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-42.3	-177.3	-61.6	111.2	0	0	0	112.4	V58 E69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.2Å; V58-W84 HydrophobicContact CG1-CZ3 3.97Å; E69-W84 HydrophobicContact CB-CE3 4.19Å; E69-W84 HydrophobicContact CB-CZ3 4.47Å; E69-W84 HydrophobicContact CG-CE3 4.14Å; E69-W84 HydrophobicContact CG-CZ3 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.09Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4.17Å; I76-W84 HydrophobicContact CG2-CH2 4.05Å; I76-W84 WeakPolarHBondContact O-CZ2 3.39Å; E79-W84 HydrophobicContact CB-CZ2 4.45Å; E79-W84 PolarHBondContact O-NE1 3.06Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; P81-W84 PolarHBondContact O-N 2.98Å; W84-T88 WeakPolarHBondContact O-CB 3.48Å; W84-T88 PolarHBondContact O-N 3.33Å; W84-T88 PolarHBondContact O-OG1 2.83Å
85	D	98.3	Very high	97.7	Very high	91 Å²	91	60.5 Å²	60.5	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-44.5	179	-75.7	-22.2	0	0	0	111.2	P81 Y83 Q89	P81-D85 WeakPolarHBondContact O-CB 3.47Å; P81-D85 PolarHBondContact O-N 2.95Å; Y83-D85 PolarHBondContact O-N 2.76Å; D85-Q89 PolarHBondContact O-N 2.75Å
86	R	98	Very high	97.7	Very high	122 Å²	122	64.1 Å²	64.1	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-51	178	-177.3	-175.4	68.5	-167.4	-1.9	111.3	E82 Y83 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.1Å; E82-R86 PolarHBondContact O-N 2.97Å; Y83-R86 PolarHBondContact O-N 2.75Å; R86-Q89 WeakPolarHBondContact O-CB 3.49Å; R86-Q89 PolarHBondContact O-N 2.73Å; R86-I90 HydrophobicContact CG-CD1 4.26Å; R86-I90 WeakPolarHBondContact O-CG1 3.34Å; R86-I90 PolarHBondContact O-N 3.31Å
87	N	97.9	Very high	97.7	Very high	17 Å²	17	67.4 Å²	67.4	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-70.5	-37.3	-177.2	-68.8	-7.7	0	0	0	112.2	E69 Y83 Q89 I90 F91	E69-N87 WeakPolarHBondContact OE2-CB 3.32Å; E69-N87 PolarHBondContact OE2-ND2 3.13Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.3Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.18Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.48Å; Y83-N87 WeakPolarHBondContact O-CB 3.34Å; Y83-N87 PolarHBondContact O-N 2.8Å; Y83-N87 PolarHBondContact OH-ND2 2.89Å; N87-Q89 PolarHBondContact O-N 2.82Å; N87-I90 WeakPolarHBondContact O-CB 3.49Å; N87-I90 PolarHBondContact O-N 3.28Å; N87-I90 VanDerWaalsContact O-N 3.09Å; N87-F91 HydrophobicContact CB-CE2 4.32Å; N87-F91 WeakPolarHBondContact O-CD2 3.38Å; N87-F91 PolarHBondContact O-N 2.96Å
88	T	98.4	Very high	97.7	Very high	8 Å²	8	62 Å²	62	5%	0.049	32%	0.318	C	S	.	.	H	α-helix	trans	-54.8	-42.6	170.3	-69.3	0	0	0	0	110.9	R68 E69 W84 F91 K92	R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.15Å; E69-T88 PolarHBondContact N-OG1 3.23Å; W84-T88 WeakPolarHBondContact O-CB 3.48Å; W84-T88 PolarHBondContact O-N 3.33Å; W84-T88 PolarHBondContact O-OG1 2.83Å; T88-F91 PolarHBondContact O-N 3.34Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 3.17Å
89	Q	98.4	Very high	97.8	Very high	110 Å²	110	59.1 Å²	59.1	51%	0.514	30%	0.302	S	S	.	.	H	α-helix	trans	-69.2	-37.2	178	-170.3	57.8	26.8	0	0	112.3	D85 R86 N87 K92 T93	D85-Q89 PolarHBondContact O-N 2.75Å; R86-Q89 WeakPolarHBondContact O-CB 3.49Å; R86-Q89 PolarHBondContact O-N 2.73Å; N87-Q89 PolarHBondContact O-N 2.82Å; Q89-K92 PolarHBondContact O-N 2.92Å; Q89-T93 PolarHBondContact O-N 3.2Å; Q89-T93 PolarHBondContact O-OG1 2.83Å; Q89-T93 VanDerWaalsContact O-OG1 3.1Å
90	I	97.7	Very high	97.8	Very high	73 Å²	73	64 Å²	64	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-58.1	-51.4	172.5	-68.8	167.3	0	0	0	110.2	R86 N87 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.26Å; R86-I90 WeakPolarHBondContact O-CG1 3.34Å; R86-I90 PolarHBondContact O-N 3.31Å; N87-I90 WeakPolarHBondContact O-CB 3.49Å; N87-I90 PolarHBondContact O-N 3.28Å; N87-I90 VanDerWaalsContact O-N 3.09Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 3.39Å; I90-T93 WeakPolarHBondContact O-CA 3.26Å; I90-T93 WeakPolarHBondContact O-CB 3.17Å; I90-T93 PolarHBondContact O-N 2.82Å; I90-N94 PolarHBondContact O-N 3.43Å; I90-N94 PolarHBondContact O-OD1 2.95Å
91	F	98.1	Very high	97.9	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-32.1	-180	-66.3	-55.1	0	0	0	113.6	Y31 F46 S48 F60 E69 N87 T88 N94 T95	Y31-F91 HydrophobicContact CD1-CZ 4.26Å; Y31-F91 HydrophobicContact CE1-CZ 4.13Å; F46-F91 HydrophobicContact CE1-CB 4.27Å; F46-F91 HydrophobicContact CE1-CD1 4.1Å; F46-F91 HydrophobicContact CZ-CD1 4.38Å; S48-F91 WeakPolarHBondContact OG-CE1 3.4Å; F60-F91 HydrophobicContact CB-CB 4.15Å; F60-F91 HydrophobicContact CB-CD2 3.85Å; F60-F91 HydrophobicContact CB-CE2 4.42Å; F60-F91 HydrophobicContact CB-CG 3.94Å; F60-F91 HydrophobicContact CD1-CB 3.8Å; F60-F91 HydrophobicContact CD1-CG 4.44Å; F60-F91 HydrophobicContact CD2-CB 3.61Å; F60-F91 HydrophobicContact CD2-CD2 4.1Å; F60-F91 HydrophobicContact CD2-CG 4.17Å; F60-F91 HydrophobicContact CE1-CB 4.04Å; F60-F91 HydrophobicContact CE2-CB 3.88Å; F60-F91 HydrophobicContact CG-CB 3.58Å; F60-F91 HydrophobicContact CG-CD2 4.11Å; F60-F91 AromaticContact CG-CG 3.94Å; F60-F91 HydrophobicContact CG-CG 3.94Å; F60-F91 HydrophobicContact CZ-CB 4.08Å; E69-F91 HydrophobicContact CB-CD2 4.16Å; E69-F91 HydrophobicContact CB-CE2 4.15Å; E69-F91 HydrophobicContact CG-CD2 4.35Å; E69-F91 HydrophobicContact CG-CE2 3.84Å; E69-F91 WeakPolarHBondContact OE1-CE2 3.4Å; N87-F91 HydrophobicContact CB-CE2 4.32Å; N87-F91 WeakPolarHBondContact O-CD2 3.38Å; N87-F91 PolarHBondContact O-N 2.96Å; T88-F91 PolarHBondContact O-N 3.34Å; F91-N94 PolarHBondContact O-N 2.78Å; F91-T95 WeakPolarHBondContact O-CB 3.42Å; F91-T95 PolarHBondContact O-N 3.12Å; F91-T95 PolarHBondContact O-OG1 2.83Å
92	K	97.9	Very high	97.9	Very high	87 Å²	87	59.9 Å²	59.9	38%	0.378	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-39.4	171.2	-76.4	175.9	179.1	176.1	0	112.2	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.37Å; F60-K92 HydrophobicContact CZ-CG 4.13Å; P67-K92 VanDerWaalsContact O-CE 3.27Å; P67-K92 WeakPolarHBondContact O-CE 3.31Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 3.17Å; Q89-K92 PolarHBondContact O-N 2.92Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 3.39Å; K92-T95 WeakPolarHBondContact O-CB 3.25Å; K92-Q96 PolarHBondContact O-N 3.42Å
93	T	97.9	Very high	97.8	Very high	71 Å²	71	57.6 Å²	57.6	44%	0.436	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-49.4	173	-60.5	0	0	0	0	110.5	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 3.2Å; Q89-T93 PolarHBondContact O-OG1 2.83Å; Q89-T93 VanDerWaalsContact O-OG1 3.1Å; I90-T93 WeakPolarHBondContact O-CA 3.26Å; I90-T93 WeakPolarHBondContact O-CB 3.17Å; I90-T93 PolarHBondContact O-N 2.82Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.19Å; T93-Q96 PolarHBondContact O-N 2.79Å; T93-T97 PolarHBondContact O-N 2.79Å; T93-T97 PolarHBondContact O-OG1 2.66Å
94	N	97.1	Very high	97.8	Very high	39 Å²	39	60.8 Å²	60.8	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-57.5	-39.6	177.6	-69	10.4	0	0	0	111.7	F46 I90 F91 Q96 T97 D98	F46-N94 HydrophobicContact CE2-CB 4.08Å; F46-N94 HydrophobicContact CZ-CB 3.8Å; I90-N94 PolarHBondContact O-N 3.43Å; I90-N94 PolarHBondContact O-OD1 2.95Å; F91-N94 PolarHBondContact O-N 2.78Å; N94-Q96 VanDerWaalsContact C-N 3.26Å; N94-Q96 PolarHBondContact O-N 2.97Å; N94-T97 PolarHBondContact O-N 2.98Å; N94-D98 WeakPolarHBondContact O-CB 3.32Å; N94-D98 PolarHBondContact O-N 3.26Å
95	T	97.6	Very high	97.8	Very high	20 Å²	20	59.2 Å²	59.2	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-55.6	-40.5	174.4	-59.6	0	0	0	0	112	F46 F91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.86Å; F46-T95 VanDerWaalsContact CD1-OG1 3.28Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.32Å; F46-T95 HydrophobicContact CG-CG2 4.49Å; F46-T95 WeakPolarHBondContact CG-OG1 3.18Å; F91-T95 WeakPolarHBondContact O-CB 3.42Å; F91-T95 PolarHBondContact O-N 3.12Å; F91-T95 PolarHBondContact O-OG1 2.83Å; K92-T95 WeakPolarHBondContact O-CB 3.25Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.19Å; T95-R99 WeakPolarHBondContact O-CB 3.39Å; T95-R99 PolarHBondContact O-N 2.88Å
96	Q	97.6	Very high	97.8	Very high	94 Å²	94	58 Å²	58	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-75.8	-41.6	177.1	-60.8	-51.6	-49.6	0	0	112	K92 T93 N94 D98 R99 E100	K92-Q96 PolarHBondContact O-N 3.42Å; T93-Q96 PolarHBondContact O-N 2.79Å; N94-Q96 VanDerWaalsContact C-N 3.26Å; N94-Q96 PolarHBondContact O-N 2.97Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; Q96-D98 PolarHBondContact O-N 3.12Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; Q96-R99 PolarHBondContact O-N 2.82Å; Q96-E100 PolarHBondContact O-N 3.05Å
97	T	97.6	Very high	97.7	Very high	69 Å²	69	54.3 Å²	54.3	42%	0.423	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-46	176.3	-60.1	0	0	0	0	111.3	T93 N94 R99 E100 S101	T93-T97 PolarHBondContact O-N 2.79Å; T93-T97 PolarHBondContact O-OG1 2.66Å; N94-T97 PolarHBondContact O-N 2.98Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.27Å; T97-E100 PolarHBondContact O-N 3.13Å; T97-S101 PolarHBondContact O-N 3.09Å; T97-S101 PolarHBondContact O-OG 3.32Å; T97-S101 VanDerWaalsContact O-OG 3.09Å
98	D	97.5	Very high	97.7	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.059	28%	0.282	C	S	.	.	H	α-helix	trans	-69.8	-32.9	-179.8	-80.3	7.7	0	0	0	112.5	A35 F46 N94 Q96 E100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.65Å; F46-D98 HydrophobicContact CD2-CB 4.33Å; F46-D98 VanDerWaalsContact CE2-OD2 3.29Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.39Å; N94-D98 WeakPolarHBondContact O-CB 3.32Å; N94-D98 PolarHBondContact O-N 3.26Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; Q96-D98 PolarHBondContact O-N 3.12Å; D98-E100 VanDerWaalsContact C-N 3.33Å; D98-E100 PolarHBondContact O-N 2.77Å; D98-S101 PolarHBondContact O-N 3.1Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 VanDerWaalsContact O-CG 3.28Å; D98-L102 WeakPolarHBondContact O-CG 3.48Å; D98-L102 PolarHBondContact O-N 2.84Å; D98-L119 HydrophobicContact CB-CD2 4.26Å
99	R	97.4	Very high	97.7	Very high	59 Å²	59	59 Å²	59	22%	0.223	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-42.9	170.7	174.4	-172.1	-178.2	-159.6	0.5	111.5	E43 P44 T95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.07Å; E43-R99 IonicContact OE1-NE 3.74Å; E43-R99 IonicContact OE1-NH2 2.86Å; E43-R99 PolarHBondContact OE1-NH2 2.89Å; E43-R99 IonicContact OE2-CZ 3.6Å; E43-R99 IonicContact OE2-NE 2.77Å; E43-R99 PolarHBondContact OE2-NE 3.33Å; E43-R99 IonicContact OE2-NH2 3.58Å; E43-R99 PolarHBondContact OE2-NH2 2.88Å; E43-R99 VanDerWaalsContact OE2-NH2 3.09Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.15Å; T95-R99 WeakPolarHBondContact O-CB 3.39Å; T95-R99 PolarHBondContact O-N 2.88Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; Q96-R99 PolarHBondContact O-N 2.82Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.27Å; R99-R103 VanDerWaalsContact CZ-NH2 3.3Å; R99-R103 WeakPolarHBondContact O-CG 3.31Å; R99-R103 PolarHBondContact O-N 2.84Å
100	E	97.6	Very high	97.7	Very high	117 Å²	117	61 Å²	61	55%	0.547	31%	0.306	S	S	.	.	H	α-helix	trans	-68.5	-42.1	174.7	-70	-178.1	-179.1	0	0	111.7	Q96 T97 D98 L102 R103 N104	Q96-E100 PolarHBondContact O-N 3.05Å; T97-E100 PolarHBondContact O-N 3.13Å; D98-E100 VanDerWaalsContact C-N 3.33Å; D98-E100 PolarHBondContact O-N 2.77Å; E100-L102 PolarHBondContact O-N 3.2Å; E100-R103 WeakPolarHBondContact O-CB 3.32Å; E100-R103 PolarHBondContact O-N 3.41Å; E100-R103 VanDerWaalsContact O-N 3.14Å; E100-N104 PolarHBondContact O-N 3.24Å; E100-N104 PolarHBondContact O-ND2 2.86Å
101	S	98.1	Very high	97.6	Very high	38 Å²	38	60.3 Å²	60.3	27%	0.266	30%	0.302	S	S	.	.	H	α-helix	trans	-58.4	-45.4	175.5	-65.5	0	0	0	0	111.9	T97 D98 R103 N104 L105	T97-S101 PolarHBondContact O-N 3.09Å; T97-S101 PolarHBondContact O-OG 3.32Å; T97-S101 VanDerWaalsContact O-OG 3.09Å; D98-S101 PolarHBondContact O-N 3.1Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.02Å; S101-N104 PolarHBondContact O-N 3.17Å; S101-N104 VanDerWaalsContact O-N 3.15Å; S101-L105 WeakPolarHBondContact O-CB 3.33Å; S101-L105 WeakPolarHBondContact O-CD1 3.44Å; S101-L105 WeakPolarHBondContact O-CG 3.27Å; S101-L105 PolarHBondContact O-N 2.64Å
102	L	98.3	Very high	97.5	Very high	8 Å²	8	63.9 Å²	63.9	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-39.2	175.1	-77.3	168.3	0	0	0	112.3	A35 P44 D98 E100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.89Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.93Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 VanDerWaalsContact O-CG 3.28Å; D98-L102 WeakPolarHBondContact O-CG 3.48Å; D98-L102 PolarHBondContact O-N 2.84Å; E100-L102 PolarHBondContact O-N 3.2Å; L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3Å; L102-R106 VanDerWaalsContact O-N 3.1Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; L102-L119 HydrophobicContact CD2-CB 3.71Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L102-Y142 HydrophobicContact CD2-CE2 4.04Å
103	R	96.9	Very high	97.2	Very high	119 Å²	119	66.1 Å²	66.1	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-43.7	175.4	-69.6	172.8	179.9	162.3	-0.8	111.9	R99 E100 S101 G107	R99-R103 VanDerWaalsContact CZ-NH2 3.3Å; R99-R103 WeakPolarHBondContact O-CG 3.31Å; R99-R103 PolarHBondContact O-N 2.84Å; E100-R103 WeakPolarHBondContact O-CB 3.32Å; E100-R103 PolarHBondContact O-N 3.41Å; E100-R103 VanDerWaalsContact O-N 3.14Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.02Å; R103-G107 PolarHBondContact O-N 2.97Å; R103-G107 VanDerWaalsContact O-N 3.17Å
104	N	97.7	Very high	97	Very high	78 Å²	78	66.6 Å²	66.6	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-47.6	178.9	-70.1	-29.1	0	0	0	111.4	E100 S101 G107 Y108	E100-N104 PolarHBondContact O-N 3.24Å; E100-N104 PolarHBondContact O-ND2 2.86Å; S101-N104 PolarHBondContact O-N 3.17Å; S101-N104 VanDerWaalsContact O-N 3.15Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 2.86Å; N104-G107 VanDerWaalsContact O-N 3.09Å; N104-Y108 HydrophobicContact CB-CE2 4.4Å; N104-Y108 WeakPolarHBondContact O-CD1 3.41Å; N104-Y108 VanDerWaalsContact O-CG 3.3Å; N104-Y108 PolarHBondContact O-N 3.44Å
105	L	98.2	Very high	96.8	Very high	6 Å²	6	66 Å²	66	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-59.6	-48.7	179.2	-71.8	163.7	0	0	0	111	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.33Å; S101-L105 WeakPolarHBondContact O-CD1 3.44Å; S101-L105 WeakPolarHBondContact O-CG 3.27Å; S101-L105 PolarHBondContact O-N 2.64Å; L105-G107 PolarHBondContact O-N 3.43Å; L105-Y108 PolarHBondContact O-N 3.45Å; L105-Y108 VanDerWaalsContact O-N 3.08Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 3.03Å; L105-L119 HydrophobicContact CD1-CD1 3.85Å; L105-L119 HydrophobicContact CD1-CD2 4.21Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.1Å; L105-Y142 HydrophobicContact CD2-CG 4.44Å; L105-Y142 HydrophobicContact CG-CD2 4.32Å; L105-Y142 HydrophobicContact CG-CE2 4.4Å; L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 3.96Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.35Å; L105-Y147 HydrophobicContact CD2-CG 4.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.27Å
106	R	97.3	Very high	96.8	Very high	67 Å²	67	68.9 Å²	68.9	25%	0.253	37%	0.374	S	S	.	.	H	α-helix	trans	-53.1	-41.9	173.8	-173.5	-173	66.5	176.2	10.8	112	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3Å; L102-R106 VanDerWaalsContact O-N 3.1Å; R106-N110 PolarHBondContact O-N 3.46Å; R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 PolarHBondContact O-N 3.23Å; R106-E113 IonicContact CZ-OE1 3.85Å; R106-E113 IonicContact NH1-OE1 3.95Å; R106-E113 IonicContact NH2-OE1 3.14Å; R106-E113 PolarHBondContact NH2-OE1 3.02Å
107	G	97.4	Very high	96.8	Very high	43 Å²	43	65.2 Å²	65.2	44%	0.443	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-47.5	175.2	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.97Å; R103-G107 VanDerWaalsContact O-N 3.17Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 2.86Å; N104-G107 VanDerWaalsContact O-N 3.09Å; L105-G107 PolarHBondContact O-N 3.43Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.39Å; G107-N110 PolarHBondContact O-N 2.94Å; G107-N110 VanDerWaalsContact O-N 3.1Å
108	Y	98	Very high	96.8	Very high	55 Å²	55	63.8 Å²	63.8	22%	0.216	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-36	179.5	-61.5	-18.3	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.4Å; N104-Y108 WeakPolarHBondContact O-CD1 3.41Å; N104-Y108 VanDerWaalsContact O-CG 3.3Å; N104-Y108 PolarHBondContact O-N 3.44Å; L105-Y108 PolarHBondContact O-N 3.45Å; L105-Y108 VanDerWaalsContact O-N 3.08Å; Y108-I166 HydrophobicContact CD1-CD1 4.08Å; Y108-I166 HydrophobicContact CE1-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CG2 4.03Å; Y108-I166 HydrophobicContact CE2-CB 4.32Å; Y108-I166 HydrophobicContact CE2-CG2 4.17Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; Y108-K170 PolarHBondContact OH-NZ 3.38Å
109	Y	98	Very high	96.9	Very high	68 Å²	68	63.4 Å²	63.4	27%	0.267	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	3.8	178.4	-69.3	-70.2	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 3.03Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.39Å; Y109-Q111 PolarHBondContact O-N 3.13Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.56Å; Y109-Y142 HydrophobicContact CE2-CD1 3.56Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.46Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.45Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.41Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.43Å; Y109-D161 PolarHBondContact OH-OD2 3.35Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	97	Very high	97	Very high	152 Å²	152	64.4 Å²	64.4	81%	0.813	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	39.8	-177.1	-57.8	-61.6	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 3.46Å; G107-N110 PolarHBondContact O-N 2.94Å; G107-N110 VanDerWaalsContact O-N 3.1Å
111	Q	97.3	Very high	97	Very high	59 Å²	59	59.2 Å²	59.2	28%	0.276	33%	0.33	S	S	.	.			trans	-86.3	152.5	-176.7	-70.7	169.4	-33.5	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 PolarHBondContact O-N 3.23Å; Y109-Q111 PolarHBondContact O-N 3.13Å; Q111-H117 PolarHBondContact NE2-CE1 2.79Å; Q111-H117 PolarHBondContact OE1-CE1 3.42Å; Q111-H117 PolarHBondContact OE1-ND1 2.74Å; Q111-Y142 PolarHBondContact OE1-OH 2.9Å; Q111-D143 PolarHBondContact NE2-OD2 3.39Å
112	S	95.2	Very high	97	Very high	81 Å²	81	58.4 Å²	58.4	57%	0.566	32%	0.323	S	S	*	.			trans	-68.5	146.7	179.1	176.2	0	0	0	0	112.4	A114 G115	S112-A114 PolarHBondContact O-N 2.66Å; S112-A114 PolarHBondContact OG-N 2.94Å; S112-G115 PolarHBondContact O-N 3.14Å
113	E	92.3	Very high	97.1	Very high	134 Å²	134	59.8 Å²	59.8	63%	0.626	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-20	174.9	-55.7	-153.7	126.7	0	0	114	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.21Å; P39-E113 WeakPolarHBondContact CG-O 3.41Å; R106-E113 IonicContact CZ-OE1 3.85Å; R106-E113 IonicContact NH1-OE1 3.95Å; R106-E113 IonicContact NH2-OE1 3.14Å; R106-E113 PolarHBondContact NH2-OE1 3.02Å; E113-G115 VanDerWaalsContact C-N 3.28Å
114	A	92.8	Very high	97.1	Very high	82 Å²	82	54.1 Å²	54.1	68%	0.678	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.7	177.8	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 2.66Å; S112-A114 PolarHBondContact OG-N 2.94Å
115	G	93.1	Very high	97.2	Very high	25 Å²	25	50.4 Å²	50.4	26%	0.258	29%	0.286	S	S	.	.			trans	-75.5	134.9	-179.7	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.22Å; S112-G115 PolarHBondContact O-N 3.14Å; E113-G115 VanDerWaalsContact C-N 3.28Å; G115-H117 PolarHBondContact O-CD2 3.44Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å
116	S	96.8	Very high	97.2	Very high	82 Å²	82	51.5 Å²	51.5	57%	0.573	29%	0.292	S	S	*	.			trans	-82.1	133.5	166.1	-166.7	0	0	0	0	108.5	S37	S37-S116 PolarHBondContact O-OG 3.36Å
117	H	98.3	Very high	97.2	Very high	16 Å²	16	48.4 Å²	48.4	7%	0.074	28%	0.281	C	S	.	.			trans	-134.3	151.5	-176.1	-64.1	-70.9	0	0	0	110.7	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.86Å; S37-H117 PolarHBondContact OG-N 2.98Å; S37-H117 PolarHBondContact OG-O 2.88Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; Q111-H117 PolarHBondContact NE2-CE1 2.79Å; Q111-H117 PolarHBondContact OE1-CE1 3.42Å; Q111-H117 PolarHBondContact OE1-ND1 2.74Å; G115-H117 PolarHBondContact O-CD2 3.44Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.48Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 3.33Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 WeakPolarHBondContact CB-OD1 3.32Å; H117-D143 IonicContact CE1-OD2 3.66Å; H117-D143 IonicContact CG-OD1 3.73Å; H117-D143 IonicContact CG-OD2 2.7Å; H117-D143 IonicContact ND1-OD1 2.77Å; H117-D143 PolarHBondContact ND1-OD1 3.2Å; H117-D143 IonicContact ND1-OD2 3.34Å; H117-D143 PolarHBondContact ND1-OD2 3.46Å
118	T	98.6	Very high	97.1	Very high	39 Å²	39	46.5 Å²	46.5	24%	0.239	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.8	-177.7	-54.9	0	0	0	0	110.1	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.92Å; A35-T118 WeakPolarHBondContact O-CA 3.44Å; M36-T118 HydrophobicContact CG-CG2 4.05Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.41Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.35Å; T118-D143 PolarHBondContact N-OD1 2.83Å; T118-D143 PolarHBondContact O-N 2.91Å
119	L	98.8	Very high	96.9	Very high	4 Å²	4	49 Å²	49	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.9	167.8	175.2	62.3	0	0	0	107.9	T34 A35 D98 L102 L105 Y140	T34-L119 WeakPolarHBondContact CA-O 3.29Å; A35-L119 HydrophobicContact CB-CB 4.42Å; A35-L119 PolarHBondContact N-O 2.97Å; A35-L119 PolarHBondContact O-N 3.38Å; D98-L119 HydrophobicContact CB-CD2 4.26Å; L102-L119 HydrophobicContact CD2-CB 3.71Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L105-L119 HydrophobicContact CD1-CD1 3.85Å; L105-L119 HydrophobicContact CD1-CD2 4.21Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L119-Y140 HydrophobicContact CD1-CD1 4.32Å
120	Q	98.8	Very high	96.6	Very high	79 Å²	79	50.3 Å²	50.3	37%	0.369	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144	177.2	-58.1	176.6	-95.7	0	0	109	D33 T34 T118 Y140 A141	D33-Q120 VanDerWaalsContact O-CA 3.31Å; D33-Q120 WeakPolarHBondContact O-CA 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.21Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; Q120-Y140 CarbonylContact O-C 3.53Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.44Å; Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 3.03Å; Q120-A141 PolarHBondContact O-N 3.25Å
121	S	98.5	Very high	96.3	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.8	168.9	64.2	0	0	0	0	111.5	F32 D33 Q139 Y140	F32-S121 WeakPolarHBondContact CA-O 3.34Å; D33-S121 WeakPolarHBondContact CB-OG 3.45Å; D33-S121 PolarHBondContact N-O 3.27Å; D33-S121 PolarHBondContact O-N 3.36Å; S121-Q139 CarbonylContact C-O 3.58Å; S121-Q139 VanDerWaalsContact CA-O 3.24Å; S121-Q139 WeakPolarHBondContact CA-O 3.42Å; S121-Y140 VanDerWaalsContact CB-CD1 3.47Å; S121-Y140 VanDerWaalsContact CB-CE1 3.42Å
122	M	98.7	Very high	96.3	Very high	21 Å²	21	48.9 Å²	48.9	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125	171.6	-174.2	-78.2	-67.8	0	0	108.4	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.42Å; F32-M122 HydrophobicContact CD1-CB 4.05Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.21Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CZ-CG 4.07Å; M122-H137 HydrophobicContact CE-CB 3.88Å; M122-H137 HydrophobicContact SD-CB 4.06Å; M122-N138 WeakPolarHBondContact O-CA 3.41Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-CD 3.5Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.81Å; M122-Q139 PolarHBondContact O-N 3.01Å
123	Y	98.7	Very high	96.4	Very high	37 Å²	37	47.4 Å²	47.4	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.5	174.9	63.5	-87.7	0	0	0	111.1	R30 Y31 H137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.41Å; Y31-Y123 HydrophobicContact CD2-CD2 4.34Å; Y31-Y123 AromaticContact CD2-CE2 3.67Å; Y31-Y123 HydrophobicContact CD2-CE2 3.67Å; Y31-Y123 AromaticContact CG-CE2 3.87Å; Y31-Y123 HydrophobicContact CG-CE2 3.87Å; Y31-Y123 AromaticContact CG-CZ 3.8Å; Y31-Y123 PolarHBondContact N-O 2.69Å; Y31-Y123 PolarHBondContact O-N 3.46Å; Y31-Y123 VanDerWaalsContact O-N 3.17Å; Y123-H137 CarbonylContact C-O 3.51Å; Y123-H137 WeakPolarHBondContact CA-O 3.2Å; Y123-H137 WeakPolarHBondContact CB-O 3.36Å; Y123-Y183 AromaticContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CE2-CE1 4.25Å
124	G	98.6	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156	-175.5	-179	0	0	0	0	0	114	M29 H137 L184	M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.27Å; G124-H137 PolarHBondContact N-O 3.46Å; G124-H137 PolarHBondContact O-N 2.97Å; G124-L184 WeakPolarHBondContact O-CD2 3.48Å
125	C	98.7	Very high	96.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.9	-172.6	52.5	0	0	0	0	111.3	S28 M29 L133 R135 C188 V189	S28-C125 VanDerWaalsContact CA-O 3.32Å; S28-C125 WeakPolarHBondContact CA-O 3.46Å; M29-C125 PolarHBondContact N-O 3.36Å; M29-C125 PolarHBondContact O-N 2.89Å; C125-L133 HydrophobicContact CB-CD1 3.61Å; C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.17Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 2.93Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.86Å; C125-V189 HydrophobicContact CB-CG2 4.39Å
126	D	98.4	Very high	97.1	Very high	29 Å²	29	46.8 Å²	46.8	16%	0.155	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.5	172.1	-53.5	-28.5	0	0	0	108.3	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.11Å; S28-D126 WeakPolarHBondContact CB-OD1 3.21Å; R30-D126 IonicContact CZ-OD1 2.66Å; R30-D126 IonicContact NE-OD1 3.6Å; R30-D126 PolarHBondContact NE-OD1 3.29Å; R30-D126 VanDerWaalsContact NH2-CG 3.3Å; R30-D126 IonicContact NH2-OD1 3.01Å; R30-D126 PolarHBondContact NH2-OD1 3.34Å; R30-D126 IonicContact NH2-OD2 2.79Å; R30-D126 PolarHBondContact NH2-OD2 3.11Å; R30-D126 VanDerWaalsContact NH2-OD2 3.1Å; D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.77Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 2.87Å; D126-R135 PolarHBondContact O-N 2.76Å; D126-H137 IonicContact OD1-NE2 3.44Å; D126-H137 IonicContact OD2-CD2 2.83Å; D126-H137 IonicContact OD2-CE1 3.01Å; D126-H137 IonicContact OD2-NE2 2.69Å; D126-H137 PolarHBondContact OD2-NE2 2.87Å
127	V	97.8	Very high	97.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.8	178.7	-60.6	0	0	0	0	111.1	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.53Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.19Å; S26-V127 WeakPolarHBondContact CB-O 3.35Å; H27-V127 HydrophobicContact CB-CG2 4.05Å; H27-V127 PolarHBondContact N-O 2.92Å; H27-V127 PolarHBondContact O-N 3.14Å; V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; V127-R132 WeakPolarHBondContact CB-O 3.38Å; V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 4.01Å; V127-V189 HydrophobicContact CG1-CG2 3.98Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.19Å
128	G	95.4	Very high	97.2	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	22%	0.218	C	C	.	.			trans	-79.1	-179.5	173.9	0	0	0	0	0	112.4	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.6Å; G128-D130 PolarHBondContact O-N 3.44Å; G128-G131 WeakPolarHBondContact O-CA 3.31Å; G128-G131 PolarHBondContact O-N 2.04Å; G128-R132 PolarHBondContact N-O 3.03Å
129	P	92.4	Very high	97.2	Very high	106 Å²	106	45.2 Å²	45.2	69%	0.688	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.9	177.3	-22.9	32.5	0	0	0	114.2	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.06Å; G25-P129 WeakPolarHBondContact O-CG 3.03Å; P129-G131 PolarHBondContact O-N 3.29Å
130	D	91.9	Very high	97.2	Very high	96 Å²	96	47.5 Å²	47.5	51%	0.513	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	3	173.8	70.4	-10.6	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.44Å; D130-R132 PolarHBondContact O-N 3.5Å; D130-R132 WeakPolarHBondContact OD1-CB 3.41Å; D130-R132 PolarHBondContact OD1-N 3.3Å; D130-R132 WeakPolarHBondContact OD2-CD 3.24Å; D130-R132 WeakPolarHBondContact OD2-CG 3.32Å; D130-R132 IonicContact OD2-CZ 2.66Å; D130-R132 IonicContact OD2-NE 3.25Å; D130-R132 PolarHBondContact OD2-NE 3.43Å; D130-R132 IonicContact OD2-NH1 3.69Å
131	G	92.4	Very high	97.2	Very high	12 Å²	12	44.5 Å²	44.5	12%	0.124	22%	0.22	C	C	.	.	S	Bend	trans	72.7	4.9	-177.7	0	0	0	0	0	114.2	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.31Å; G128-G131 PolarHBondContact O-N 2.04Å; P129-G131 PolarHBondContact O-N 3.29Å; G131-V189 WeakPolarHBondContact O-CG1 3.09Å; G131-R193 VanDerWaalsContact C-NH2 3.28Å; G131-R193 PolarHBondContact O-NE 3.23Å; G131-R193 PolarHBondContact O-NH2 2.64Å
132	R	95.6	Very high	97.2	Very high	169 Å²	169	44.6 Å²	44.6	64%	0.638	22%	0.219	S	C	*	.			trans	-79.4	149	-179.8	-64.4	-174.9	-175.7	162.6	-2.4	111.2	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; V127-R132 WeakPolarHBondContact CB-O 3.38Å; G128-R132 PolarHBondContact N-O 3.03Å; D130-R132 PolarHBondContact O-N 3.5Å; D130-R132 WeakPolarHBondContact OD1-CB 3.41Å; D130-R132 PolarHBondContact OD1-N 3.3Å; D130-R132 WeakPolarHBondContact OD2-CD 3.24Å; D130-R132 WeakPolarHBondContact OD2-CG 3.32Å; D130-R132 IonicContact OD2-CZ 2.66Å; D130-R132 IonicContact OD2-NE 3.25Å; D130-R132 PolarHBondContact OD2-NE 3.43Å; D130-R132 IonicContact OD2-NH1 3.69Å; R132-L134 PolarHBondContact O-N 2.93Å
133	L	97.7	Very high	97.2	Very high	50 Å²	50	46.5 Å²	46.5	26%	0.262	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	124.1	175.7	-174.7	72.2	0	0	0	110.2	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.61Å; L133-R135 WeakPolarHBondContact CD1-O 3.16Å; L133-L154 HydrophobicContact CD2-CD1 4.19Å; L133-E185 HydrophobicContact CD2-CB 4.42Å; L133-E185 HydrophobicContact CD2-CG 3.71Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å
134	L	97.4	Very high	97.1	Very high	116 Å²	116	47.5 Å²	47.5	61%	0.607	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	-45.2	167.8	-63.9	178.1	0	0	0	110.5	D126 R132	D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.77Å; R132-L134 PolarHBondContact O-N 2.93Å
135	R	97.4	Very high	97.1	Very high	107 Å²	107	55 Å²	55	40%	0.404	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	139.4	-175.9	-172.4	173.1	176.6	136.8	8.9	111.4	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.17Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 2.87Å; D126-R135 PolarHBondContact O-N 2.76Å; L133-R135 WeakPolarHBondContact CD1-O 3.16Å; R135-H137 WeakPolarHBondContact CD-CE1 3.38Å; R135-H137 PolarHBondContact NE-CE1 3.07Å; R135-E152 IonicContact CZ-OE1 3.51Å; R135-E152 IonicContact NH1-OE1 3.7Å; R135-E152 PolarHBondContact NH1-OE1 3.39Å; R135-E152 IonicContact NH2-OE1 3.43Å; R135-E152 PolarHBondContact NH2-OE1 2.96Å
136	G	98.3	Very high	97.1	Very high	5 Å²	5	61.2 Å²	61.2	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	150.1	168	0	0	0	0	0	110.7
137	H	98.3	Very high	97.1	Very high	21 Å²	21	60.3 Å²	60.3	10%	0.097	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137	-179.5	-54.3	-95.6	0	0	0	109.7	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 2.86Å; R30-H137 VanDerWaalsContact NH2-NE2 3.13Å; M122-H137 HydrophobicContact CE-CB 3.88Å; M122-H137 HydrophobicContact SD-CB 4.06Å; Y123-H137 CarbonylContact C-O 3.51Å; Y123-H137 WeakPolarHBondContact CA-O 3.2Å; Y123-H137 WeakPolarHBondContact CB-O 3.36Å; G124-H137 PolarHBondContact N-O 3.46Å; G124-H137 PolarHBondContact O-N 2.97Å; D126-H137 IonicContact OD1-NE2 3.44Å; D126-H137 IonicContact OD2-CD2 2.83Å; D126-H137 IonicContact OD2-CE1 3.01Å; D126-H137 IonicContact OD2-NE2 2.69Å; D126-H137 PolarHBondContact OD2-NE2 2.87Å; R135-H137 WeakPolarHBondContact CD-CE1 3.38Å; R135-H137 PolarHBondContact NE-CE1 3.07Å
138	N	98.6	Very high	97.2	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.043	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	110.2	162.1	-173.3	13.2	0	0	0	108.6	M122 Y140 L150 D180	M122-N138 WeakPolarHBondContact O-CA 3.41Å; N138-Y140 VanDerWaalsContact OD1-CE2 3.25Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.34Å; N138-L150 HydrophobicContact CB-CB 4.05Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 WeakPolarHBondContact O-CB 3.46Å; N138-L150 PolarHBondContact O-N 2.95Å; N138-D180 PolarHBondContact ND2-OD2 3.36Å
139	Q	98.7	Very high	97.4	Very high	76 Å²	76	61.7 Å²	61.7	36%	0.355	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150	-174.7	65.1	-171.2	51.8	0	0	112	S121 M122 I148 A149	S121-Q139 CarbonylContact C-O 3.58Å; S121-Q139 VanDerWaalsContact CA-O 3.24Å; S121-Q139 WeakPolarHBondContact CA-O 3.42Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-CD 3.5Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.81Å; M122-Q139 PolarHBondContact O-N 3.01Å; Q139-I148 WeakPolarHBondContact CA-O 3.38Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	Y	98.8	Very high	97.7	Very high	51 Å²	51	57.3 Å²	57.3	20%	0.2	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.7	-176.7	-62.3	-101.6	0	0	0	110.7	L119 Q120 S121 N138 Y147 I148 W171	L119-Y140 HydrophobicContact CD1-CD1 4.32Å; Q120-Y140 CarbonylContact O-C 3.53Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.44Å; S121-Y140 VanDerWaalsContact CB-CD1 3.47Å; S121-Y140 VanDerWaalsContact CB-CE1 3.42Å; N138-Y140 VanDerWaalsContact OD1-CE2 3.25Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.34Å; Y140-Y147 WeakPolarHBondContact O-CB 3.24Å; Y140-Y147 PolarHBondContact O-N 2.71Å; Y140-I148 HydrophobicContact CD2-CG2 4.01Å; Y140-I148 HydrophobicContact CG-CG2 4.41Å; Y140-I148 PolarHBondContact N-O 2.9Å; Y140-I148 PolarHBondContact O-N 2.83Å; Y140-W171 AromaticContact CD2-CH2 3.71Å; Y140-W171 HydrophobicContact CD2-CH2 3.71Å; Y140-W171 HydrophobicContact CD2-CZ3 4.14Å; Y140-W171 AromaticContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CZ2 4.48Å; Y140-W171 AromaticContact CE2-CZ3 3.91Å; Y140-W171 HydrophobicContact CE2-CZ3 3.91Å; Y140-W171 HydrophobicContact CG-CH2 4.44Å; Y140-W171 AromaticContact CZ-CH2 3.85Å
141	A	98.9	Very high	98	Very high	16 Å²	16	54.9 Å²	54.9	13%	0.132	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.9	172.6	0	0	0	0	0	110.5	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 3.03Å; Q120-A141 PolarHBondContact O-N 3.25Å; A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.46Å; A141-K145 VanDerWaalsContact CB-O 3.29Å; A141-K145 WeakPolarHBondContact CB-O 3.32Å
142	Y	98.8	Very high	98.2	Very high	11 Å²	11	60.9 Å²	60.9	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128	177.2	-175.5	-116.5	0	0	0	110.1	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.04Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.1Å; L105-Y142 HydrophobicContact CD2-CG 4.44Å; L105-Y142 HydrophobicContact CG-CD2 4.32Å; L105-Y142 HydrophobicContact CG-CE2 4.4Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.56Å; Y109-Y142 HydrophobicContact CE2-CD1 3.56Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Q111-Y142 PolarHBondContact OE1-OH 2.9Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.48Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 3.33Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.41Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.35Å; Y142-G144 PolarHBondContact O-N 2.79Å; Y142-K145 PolarHBondContact N-O 3.15Å; Y142-K145 PolarHBondContact O-N 2.9Å; Y142-K145 VanDerWaalsContact O-N 3.07Å
143	D	98.3	Very high	98.3	Very high	62 Å²	62	56.6 Å²	56.6	33%	0.332	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.4	-174.5	-66.4	-22.7	0	0	0	113.1	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.39Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 WeakPolarHBondContact CB-OD1 3.32Å; H117-D143 IonicContact CE1-OD2 3.66Å; H117-D143 IonicContact CG-OD1 3.73Å; H117-D143 IonicContact CG-OD2 2.7Å; H117-D143 IonicContact ND1-OD1 2.77Å; H117-D143 PolarHBondContact ND1-OD1 3.2Å; H117-D143 IonicContact ND1-OD2 3.34Å; H117-D143 PolarHBondContact ND1-OD2 3.46Å; T118-D143 PolarHBondContact N-OD1 2.83Å; T118-D143 PolarHBondContact O-N 2.91Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 2.84Å
144	G	97.5	Very high	98.4	Very high	57 Å²	57	54.6 Å²	54.6	59%	0.588	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	10.1	177.8	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 2.79Å
145	K	98.6	Very high	98.4	Very high	159 Å²	159	56.9 Å²	56.9	69%	0.691	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.4	176.3	-61.9	179.8	-176.9	177.4	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.46Å; A141-K145 VanDerWaalsContact CB-O 3.29Å; A141-K145 WeakPolarHBondContact CB-O 3.32Å; Y142-K145 PolarHBondContact N-O 3.15Å; Y142-K145 PolarHBondContact O-N 2.9Å; Y142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 2.84Å; K145-Y147 PolarHBondContact O-N 3.31Å
146	D	98.7	Very high	98.4	Very high	130 Å²	130	53.7 Å²	53.7	70%	0.695	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	134.3	174.2	-65.2	-34.1	0	0	0	110.6	A160	D146-A160 WeakPolarHBondContact O-CB 3.38Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	54 Å²	54	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-63.3	-179.7	179.1	-107.7	0	0	0	110.5	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 3.96Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.35Å; L105-Y147 HydrophobicContact CD2-CG 4.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.27Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.46Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.45Å; Y140-Y147 WeakPolarHBondContact O-CB 3.24Å; Y140-Y147 PolarHBondContact O-N 2.71Å; K145-Y147 PolarHBondContact O-N 3.31Å; Y147-A160 WeakPolarHBondContact O-CB 3.38Å; Y147-A160 PolarHBondContact O-N 2.95Å; Y147-A163 HydrophobicContact CE2-CB 4.41Å; Y147-A163 PolarHBondContact OH-O 3.06Å; Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.41Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 2.99Å; Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.02Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.5	178.6	-160.4	173.5	0	0	0	110.3	Q139 Y140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.38Å; Y140-I148 HydrophobicContact CD2-CG2 4.01Å; Y140-I148 HydrophobicContact CG-CG2 4.41Å; Y140-I148 PolarHBondContact N-O 2.9Å; Y140-I148 PolarHBondContact O-N 2.83Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CD1-CG 4.41Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T158 WeakPolarHBondContact CG1-O 3.39Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; I148-Q168 HydrophobicContact CD1-CB 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.14Å; I148-W171 HydrophobicContact CD1-CZ3 4.36Å; I148-W171 HydrophobicContact CG2-CE3 4.48Å; I148-W171 HydrophobicContact CG2-CH2 4.01Å; I148-W171 HydrophobicContact CG2-CZ3 3.69Å
149	A	98.8	Very high	98.4	Very high	31 Å²	31	57.5 Å²	57.5	26%	0.256	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.9	179	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; A149-T158 PolarHBondContact N-O 3.45Å; A149-T158 PolarHBondContact O-N 2.91Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.6	169.3	-175.1	65.4	0	0	0	108.4	N138 L154 W157 A177 D180 L184	N138-L150 HydrophobicContact CB-CB 4.05Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 WeakPolarHBondContact O-CB 3.46Å; N138-L150 PolarHBondContact O-N 2.95Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 3.98Å; L150-W157 HydrophobicContact CB-CZ3 3.62Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.36Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.28Å; L150-W157 HydrophobicContact CG-CH2 4.49Å; L150-A177 HydrophobicContact CD1-CB 3.9Å; L150-D180 HydrophobicContact CD2-CB 4.08Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å
151	N	98.6	Very high	98.4	Very high	45 Å²	45	57 Å²	57	24%	0.241	32%	0.316	C	S	.	.			trans	-71.7	163.2	-179.6	-67.7	-30.2	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.32Å; N151-L154 PolarHBondContact O-N 2.95Å; N151-S156 WeakPolarHBondContact CB-O 3.32Å; N151-S156 PolarHBondContact N-O 2.9Å; N151-S156 PolarHBondContact ND2-O 3.45Å; N151-S156 PolarHBondContact ND2-OG 3.28Å; N151-T158 PolarHBondContact ND2-OG1 2.95Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
152	E	97.6	Very high	98.4	Very high	137 Å²	137	61.5 Å²	61.5	64%	0.64	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.2	180	-66.5	-179.9	-173.4	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 3.51Å; R135-E152 IonicContact NH1-OE1 3.7Å; R135-E152 PolarHBondContact NH1-OE1 3.39Å; R135-E152 IonicContact NH2-OE1 3.43Å; R135-E152 PolarHBondContact NH2-OE1 2.96Å; E152-L154 PolarHBondContact O-N 3.37Å
153	D	97.6	Very high	98.4	Very high	79 Å²	79	61.2 Å²	61.2	42%	0.422	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.3	174	70.7	3.4	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.38Å; D153-R155 PolarHBondContact O-N 2.99Å; D153-R155 PolarHBondContact OD1-N 3.44Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.47Å; D153-S156 PolarHBondContact OD1-OG 3.34Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.48Å; D153-S156 PolarHBondContact OD2-OG 3.46Å
154	L	98.2	Very high	98.4	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.042	33%	0.326	C	S	.	.	S	Bend	trans	53.3	28.7	-175.2	-53.7	-178.9	0	0	0	113.6	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.19Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; N151-L154 PolarHBondContact O-N 2.95Å; E152-L154 PolarHBondContact O-N 3.37Å; L154-R181 HydrophobicContact CB-CB 4.03Å; L154-R181 HydrophobicContact CB-CG 3.8Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-R181 WeakPolarHBondContact O-CD 3.39Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; L154-E185 HydrophobicContact CD1-CG 4.14Å
155	R	97.8	Very high	98.4	Very high	164 Å²	164	59.1 Å²	59.1	62%	0.619	32%	0.315	S	S	*	.	S	Bend	trans	-135.9	-31.5	-174	-71.2	169.7	-176	-102.1	11.4	113	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.38Å; D153-R155 PolarHBondContact O-N 2.99Å; D153-R155 PolarHBondContact OD1-N 3.44Å; R155-R181 VanDerWaalsContact CZ-NH1 3.32Å
156	S	98.1	Very high	98.4	Very high	41 Å²	41	54.3 Å²	54.3	29%	0.287	30%	0.296	S	S	.	.			trans	-117	161.4	-177.2	63.8	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.32Å; N151-S156 PolarHBondContact N-O 2.9Å; N151-S156 PolarHBondContact ND2-O 3.45Å; N151-S156 PolarHBondContact ND2-OG 3.28Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.47Å; D153-S156 PolarHBondContact OD1-OG 3.34Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.48Å; D153-S156 PolarHBondContact OD2-OG 3.46Å
157	W	98.8	Very high	98.4	Very high	10 Å²	10	48.9 Å²	48.9	4%	0.038	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145	-177.4	-62.1	91.8	0	0	0	111	I148 A149 L150 Q168 W171 V176 A177 D180	I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CD1-CG 4.41Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 3.98Å; L150-W157 HydrophobicContact CB-CZ3 3.62Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.36Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.28Å; L150-W157 HydrophobicContact CG-CH2 4.49Å; W157-Q168 HydrophobicContact CB-CG 4.14Å; W157-Q168 PolarHBondContact O-NE2 2.91Å; W157-W171 AromaticContact CD2-CE3 3.93Å; W157-W171 HydrophobicContact CD2-CE3 3.93Å; W157-W171 HydrophobicContact CD2-CZ3 4.43Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.88Å; W157-W171 HydrophobicContact CE3-CZ3 3.88Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 AromaticContact CH2-CZ3 3.38Å; W157-W171 HydrophobicContact CH2-CZ3 3.38Å; W157-W171 HydrophobicContact CZ2-CD2 4.45Å; W157-W171 AromaticContact CZ2-CE3 3.5Å; W157-W171 HydrophobicContact CZ2-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.5Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; W157-V176 HydrophobicContact CZ2-CB 4.35Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.35Å
158	T	98.8	Very high	98.4	Very high	80 Å²	80	50.4 Å²	50.4	49%	0.491	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.5	165.9	-66.6	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T158 WeakPolarHBondContact CG1-O 3.39Å; A149-T158 PolarHBondContact N-O 3.45Å; A149-T158 PolarHBondContact O-N 2.91Å; N151-T158 PolarHBondContact ND2-OG1 2.95Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
159	A	98.6	Very high	98.4	Very high	23 Å²	23	57.8 Å²	57.8	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.5	176.1	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 3.98Å; A159-Q168 HydrophobicContact CB-CB 4.43Å
160	A	98.5	Very high	98.4	Very high	61 Å²	61	61.8 Å²	61.8	50%	0.504	31%	0.314	S	S	.	.	S	Bend	trans	-74	-31.5	-176.5	0	0	0	0	0	113.4	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.38Å; Y147-A160 WeakPolarHBondContact O-CB 3.38Å; Y147-A160 PolarHBondContact O-N 2.95Å
161	D	98.3	Very high	98.4	Very high	55 Å²	55	63.7 Å²	63.7	29%	0.294	32%	0.321	S	S	.	.	S	Bend	trans	-150.8	-175	-178.1	67.9	28.3	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.41Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.43Å; Y109-D161 PolarHBondContact OH-OD2 3.35Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.13Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.86Å; D161-A164 PolarHBondContact O-N 3.23Å; D161-A164 PolarHBondContact OD1-N 2.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.35Å; D161-Q165 PolarHBondContact O-N 3.02Å
162	T	98.3	Very high	98.4	Very high	111 Å²	111	66.1 Å²	66.1	68%	0.681	33%	0.331	S	S	*	.	H	α-helix	trans	-65.7	-27.3	-179.3	51.3	0	0	0	0	114
163	A	98.1	Very high	98.4	Very high	5 Å²	5	63.8 Å²	63.8	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-73.7	-44	175.1	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.41Å; Y147-A163 PolarHBondContact OH-O 3.06Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.13Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.86Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.95Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.35Å; A163-I166 PolarHBondContact O-N 3.08Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-34.6	173.8	0	0	0	0	0	113.1	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.41Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 2.99Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 3.23Å; D161-A164 PolarHBondContact OD1-N 2.98Å; A164-I166 PolarHBondContact O-N 2.86Å; A164-T167 WeakPolarHBondContact O-CB 3.4Å; A164-T167 PolarHBondContact O-N 3.3Å; A164-Q168 PolarHBondContact O-N 2.88Å
165	Q	98.7	Very high	98.4	Very high	76 Å²	76	69.8 Å²	69.8	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-27.4	173.2	-73.2	174.4	12.7	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.35Å; D161-Q165 PolarHBondContact O-N 3.02Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.95Å; Q165-R169 WeakPolarHBondContact O-CG 3.07Å; Q165-R169 PolarHBondContact O-N 3.38Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	I	98.5	Very high	98.4	Very high	58 Å²	58	63.3 Å²	63.3	30%	0.297	34%	0.342	S	S	.	.	H	α-helix	trans	-67.3	-45.6	174	-57.3	170.8	0	0	0	109.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.08Å; Y108-I166 HydrophobicContact CE1-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CG2 4.03Å; Y108-I166 HydrophobicContact CE2-CB 4.32Å; Y108-I166 HydrophobicContact CE2-CG2 4.17Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.35Å; A163-I166 PolarHBondContact O-N 3.08Å; A164-I166 PolarHBondContact O-N 2.86Å; I166-K170 WeakPolarHBondContact O-CG 3.29Å; I166-K170 PolarHBondContact O-N 3.18Å
167	T	98.5	Very high	98.5	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-46	174.6	-69.2	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.02Å; I148-T167 HydrophobicContact CD1-CG2 4.08Å; A164-T167 WeakPolarHBondContact O-CB 3.4Å; A164-T167 PolarHBondContact O-N 3.3Å; T167-R169 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.14Å; T167-K170 PolarHBondContact O-N 2.92Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.46Å; T167-W171 HydrophobicContact CG2-CE3 4.12Å; T167-W171 HydrophobicContact CG2-CG 4.04Å; T167-W171 HydrophobicContact CG2-CH2 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 3.8Å; T167-W171 HydrophobicContact CG2-CZ3 4.38Å; T167-W171 PolarHBondContact O-N 2.84Å
168	Q	98.6	Very high	98.4	Very high	41 Å²	41	66.8 Å²	66.8	19%	0.192	36%	0.356	C	S	.	.	H	α-helix	trans	-51.4	-52.6	177.6	177.3	173.9	16.6	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.9Å; W157-Q168 HydrophobicContact CB-CG 4.14Å; W157-Q168 PolarHBondContact O-NE2 2.91Å; A159-Q168 HydrophobicContact CB-CB 4.43Å; A164-Q168 PolarHBondContact O-N 2.88Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 3.31Å; Q168-W171 PolarHBondContact O-N 3.31Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.27Å; Q168-E172 PolarHBondContact NE2-OE1 3.47Å; Q168-E172 WeakPolarHBondContact O-CB 3.22Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 2.86Å
169	R	98.7	Very high	98.4	Very high	158 Å²	158	69.4 Å²	69.4	60%	0.596	36%	0.363	S	S	*	.	H	α-helix	trans	-60.2	-38.7	179.6	-68.6	170.8	-165.7	149.2	8.7	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.07Å; Q165-R169 PolarHBondContact O-N 3.38Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact O-N 2.85Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.37Å; R169-A173 PolarHBondContact O-N 3.07Å
170	K	98.3	Very high	98.4	Very high	114 Å²	114	69.9 Å²	69.9	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-65.4	-44.1	176.4	-72.4	178.6	174.8	-173.6	0	111.1	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.38Å; I166-K170 WeakPolarHBondContact O-CG 3.29Å; I166-K170 PolarHBondContact O-N 3.18Å; T167-K170 WeakPolarHBondContact O-CB 3.14Å; T167-K170 PolarHBondContact O-N 2.92Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 3.31Å; K170-A173 PolarHBondContact O-N 2.6Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.45Å; K170-A174 PolarHBondContact O-N 3.15Å
171	W	98.4	Very high	98.4	Very high	56 Å²	56	70.3 Å²	70.3	21%	0.212	35%	0.35	C	S	.	.	H	α-helix	trans	-71.7	-36.7	-178.4	-75	7.4	0	0	0	112.9	Y140 I148 W157 T167 Q168 A174 R175 V176	Y140-W171 AromaticContact CD2-CH2 3.71Å; Y140-W171 HydrophobicContact CD2-CH2 3.71Å; Y140-W171 HydrophobicContact CD2-CZ3 4.14Å; Y140-W171 AromaticContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CH2 3.39Å; Y140-W171 HydrophobicContact CE2-CZ2 4.48Å; Y140-W171 AromaticContact CE2-CZ3 3.91Å; Y140-W171 HydrophobicContact CE2-CZ3 3.91Å; Y140-W171 HydrophobicContact CG-CH2 4.44Å; Y140-W171 AromaticContact CZ-CH2 3.85Å; I148-W171 HydrophobicContact CD1-CE3 4.14Å; I148-W171 HydrophobicContact CD1-CZ3 4.36Å; I148-W171 HydrophobicContact CG2-CE3 4.48Å; I148-W171 HydrophobicContact CG2-CH2 4.01Å; I148-W171 HydrophobicContact CG2-CZ3 3.69Å; W157-W171 AromaticContact CD2-CE3 3.93Å; W157-W171 HydrophobicContact CD2-CE3 3.93Å; W157-W171 HydrophobicContact CD2-CZ3 4.43Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.88Å; W157-W171 HydrophobicContact CE3-CZ3 3.88Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 AromaticContact CH2-CZ3 3.38Å; W157-W171 HydrophobicContact CH2-CZ3 3.38Å; W157-W171 HydrophobicContact CZ2-CD2 4.45Å; W157-W171 AromaticContact CZ2-CE3 3.5Å; W157-W171 HydrophobicContact CZ2-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.5Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.46Å; T167-W171 HydrophobicContact CG2-CE3 4.12Å; T167-W171 HydrophobicContact CG2-CG 4.04Å; T167-W171 HydrophobicContact CG2-CH2 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 3.8Å; T167-W171 HydrophobicContact CG2-CZ3 4.38Å; T167-W171 PolarHBondContact O-N 2.84Å; Q168-W171 PolarHBondContact O-N 3.31Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.53Å; W171-A174 PolarHBondContact O-N 3.08Å; W171-R175 WeakPolarHBondContact O-CA 3.45Å; W171-R175 PolarHBondContact O-N 3.32Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.86Å; W171-V176 HydrophobicContact CD2-CB 4.48Å; W171-V176 HydrophobicContact CD2-CG1 4.33Å; W171-V176 HydrophobicContact CD2-CG2 4.45Å; W171-V176 HydrophobicContact CG-CB 4.12Å; W171-V176 HydrophobicContact CG-CG1 4.46Å; W171-V176 HydrophobicContact CG-CG2 3.8Å; W171-V176 PolarHBondContact O-N 3.42Å
172	E	98.6	Very high	98.4	Very high	96 Å²	96	70.8 Å²	70.8	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-46.5	171.6	-73.2	170.7	174.8	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.27Å; Q168-E172 PolarHBondContact NE2-OE1 3.47Å; Q168-E172 WeakPolarHBondContact O-CB 3.22Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 2.86Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.42Å; E172-R175 PolarHBondContact O-N 3.08Å; E172-R175 VanDerWaalsContact O-N 3.12Å
173	A	98.4	Very high	98.4	Very high	87 Å²	87	68.8 Å²	68.8	72%	0.719	34%	0.343	S	S	*	.	H	α-helix	trans	-62.1	-36.2	176.7	0	0	0	0	0	112.6	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.37Å; R169-A173 PolarHBondContact O-N 3.07Å; K170-A173 PolarHBondContact O-N 2.6Å
174	A	98.1	Very high	98.4	Very high	59 Å²	59	68.6 Å²	68.6	49%	0.488	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.5	177.2	0	0	0	0	0	114	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.45Å; K170-A174 PolarHBondContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.53Å; W171-A174 PolarHBondContact O-N 3.08Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.42Å; A174-V176 VanDerWaalsContact C-N 3.29Å; A174-V176 HydrophobicContact CB-CG2 4.1Å; A174-V176 PolarHBondContact O-N 3.46Å
175	R	98.1	Very high	98.4	Very high	154 Å²	154	72.9 Å²	72.9	58%	0.581	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	39.7	-177.8	-57.4	177.5	172.7	-145.6	6.1	114.2	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.45Å; W171-R175 PolarHBondContact O-N 3.32Å; E172-R175 PolarHBondContact O-N 3.08Å; E172-R175 VanDerWaalsContact O-N 3.12Å; R175-A177 PolarHBondContact O-N 2.91Å; R175-E178 HydrophobicContact CB-CG 4.22Å; R175-E178 WeakPolarHBondContact CD-OE1 3.32Å; R175-E178 IonicContact CZ-OE1 3.67Å; R175-E178 IonicContact NE-OE1 3.91Å; R175-E178 IonicContact NH1-OE1 3.49Å; R175-E178 PolarHBondContact NH1-OE1 3.34Å; R175-E178 VanDerWaalsContact NH1-OE1 3.14Å; R175-E178 IonicContact NH1-OE2 3.23Å; R175-E178 WeakPolarHBondContact O-CB 3.2Å; R175-E178 PolarHBondContact O-N 3.38Å
176	V	98.4	Very high	98.4	Very high	28 Å²	28	70.3 Å²	70.3	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-57.1	-38.6	-178.2	176.6	0	0	0	0	111.7	W157 W171 A174 E178 Q179 D180	W157-V176 HydrophobicContact CZ2-CB 4.35Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.86Å; W171-V176 HydrophobicContact CD2-CB 4.48Å; W171-V176 HydrophobicContact CD2-CG1 4.33Å; W171-V176 HydrophobicContact CD2-CG2 4.45Å; W171-V176 HydrophobicContact CG-CB 4.12Å; W171-V176 HydrophobicContact CG-CG1 4.46Å; W171-V176 HydrophobicContact CG-CG2 3.8Å; W171-V176 PolarHBondContact O-N 3.42Å; A174-V176 VanDerWaalsContact C-N 3.29Å; A174-V176 HydrophobicContact CB-CG2 4.1Å; A174-V176 PolarHBondContact O-N 3.46Å; V176-E178 PolarHBondContact O-N 3.3Å; V176-Q179 WeakPolarHBondContact O-CB 3.48Å; V176-Q179 PolarHBondContact O-N 3.12Å; V176-D180 PolarHBondContact O-N 3.48Å
177	A	98.5	Very high	98.4	Very high	10 Å²	10	70.3 Å²	70.3	8%	0.083	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-31.3	178.3	0	0	0	0	0	113.6	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.9Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; R175-A177 PolarHBondContact O-N 2.91Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.4Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 2.98Å
178	E	98.3	Very high	98.4	Very high	114 Å²	114	69.6 Å²	69.6	53%	0.533	35%	0.353	S	S	.	.	H	α-helix	trans	-66.8	-36.7	176.9	-65.2	179.2	-170.9	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.22Å; R175-E178 WeakPolarHBondContact CD-OE1 3.32Å; R175-E178 IonicContact CZ-OE1 3.67Å; R175-E178 IonicContact NE-OE1 3.91Å; R175-E178 IonicContact NH1-OE1 3.49Å; R175-E178 PolarHBondContact NH1-OE1 3.34Å; R175-E178 VanDerWaalsContact NH1-OE1 3.14Å; R175-E178 IonicContact NH1-OE2 3.23Å; R175-E178 WeakPolarHBondContact O-CB 3.2Å; R175-E178 PolarHBondContact O-N 3.38Å; V176-E178 PolarHBondContact O-N 3.3Å; E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 2.83Å; E178-A182 VanDerWaalsContact O-N 3.13Å
179	Q	97.6	Very high	98.4	Very high	136 Å²	136	68 Å²	68	64%	0.636	35%	0.346	S	S	*	.	H	α-helix	trans	-73	-46.8	178.2	-60	179.1	12.6	0	0	111.1	V176 A177 R181 A182 Y183	V176-Q179 WeakPolarHBondContact O-CB 3.48Å; V176-Q179 PolarHBondContact O-N 3.12Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.4Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 3.45Å; Q179-A182 PolarHBondContact O-N 2.95Å; Q179-Y183 PolarHBondContact O-N 3.15Å
180	D	98.3	Very high	98.4	Very high	33 Å²	33	66.7 Å²	66.7	18%	0.176	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-44.2	177.4	-69.9	-14.4	0	0	0	110.9	N138 L150 W157 V176 A182 Y183 L184	N138-D180 PolarHBondContact ND2-OD2 3.36Å; L150-D180 HydrophobicContact CD2-CB 4.08Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.35Å; V176-D180 PolarHBondContact O-N 3.48Å; D180-A182 PolarHBondContact O-N 3.4Å; D180-Y183 PolarHBondContact O-N 3.48Å; D180-L184 WeakPolarHBondContact O-CB 3.47Å; D180-L184 WeakPolarHBondContact O-CG 3.48Å; D180-L184 PolarHBondContact O-N 3.02Å
181	R	98.5	Very high	98.4	Very high	69 Å²	69	63.6 Å²	63.6	26%	0.26	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-43.8	175.9	-176.3	172.4	180	-127.5	-14.3	112.2	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.03Å; L154-R181 HydrophobicContact CB-CG 3.8Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-R181 WeakPolarHBondContact O-CD 3.39Å; R155-R181 VanDerWaalsContact CZ-NH1 3.32Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 2.98Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 3.45Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.07Å; R181-L184 PolarHBondContact O-N 2.92Å; R181-E185 HydrophobicContact CG-CG 4.05Å; R181-E185 IonicContact CZ-OE1 3.93Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact CZ-OE2 3.72Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.53Å; R181-E185 PolarHBondContact NE-OE1 2.87Å; R181-E185 IonicContact NE-OE2 3.88Å; R181-E185 PolarHBondContact NE-OE2 2.88Å; R181-E185 IonicContact NH2-OE1 3.81Å; R181-E185 PolarHBondContact NH2-OE1 3.48Å; R181-E185 IonicContact NH2-OE2 3.8Å; R181-E185 PolarHBondContact NH2-OE2 3.18Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 WeakPolarHBondContact O-CG 3.5Å; R181-E185 PolarHBondContact O-N 3.5Å
182	A	98.5	Very high	98.4	Very high	66 Å²	66	61 Å²	61	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-39.3	177.5	0	0	0	0	0	112.1	E178 Q179 D180 G186	E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 2.83Å; E178-A182 VanDerWaalsContact O-N 3.13Å; Q179-A182 PolarHBondContact O-N 2.95Å; D180-A182 PolarHBondContact O-N 3.4Å; A182-G186 PolarHBondContact O-N 2.79Å; A182-G186 VanDerWaalsContact O-N 3.15Å
183	Y	98.4	Very high	98.3	Very high	68 Å²	68	61.9 Å²	61.9	27%	0.267	32%	0.322	S	S	.	.	I	π-helix	trans	-66.2	-48.2	173.3	169.8	-95.5	0	0	0	112	Y123 Q179 D180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CD2-CE1 3.99Å; Y123-Y183 HydrophobicContact CE2-CE1 4.25Å; Q179-Y183 PolarHBondContact O-N 3.15Å; D180-Y183 PolarHBondContact O-N 3.48Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.07Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 3.22Å; Y183-T187 HydrophobicContact CD2-CG2 3.86Å; Y183-T187 HydrophobicContact CE2-CG2 3.78Å; Y183-T187 PolarHBondContact O-N 2.76Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.22Å; Y183-C188 PolarHBondContact O-N 2.99Å
184	L	98.7	Very high	98.3	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.01	31%	0.309	C	S	.	.	I	π-helix	trans	-68.8	-40.1	-174.8	-69.5	170.7	0	0	0	112.7	G124 L150 L154 D180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.48Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; D180-L184 WeakPolarHBondContact O-CB 3.47Å; D180-L184 WeakPolarHBondContact O-CG 3.48Å; D180-L184 PolarHBondContact O-N 3.02Å; R181-L184 PolarHBondContact O-N 2.92Å; L184-V189 WeakPolarHBondContact O-CG2 3.47Å
185	E	98.3	Very high	98.3	Very high	89 Å²	89	60.8 Å²	60.8	42%	0.416	29%	0.286	S	S	.	.	I	π-helix	trans	-78.8	-24.9	177.7	-68.8	-177.5	166.1	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.42Å; L133-E185 HydrophobicContact CD2-CG 3.71Å; L154-E185 HydrophobicContact CD1-CG 4.14Å; R181-E185 HydrophobicContact CG-CG 4.05Å; R181-E185 IonicContact CZ-OE1 3.93Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact CZ-OE2 3.72Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.53Å; R181-E185 PolarHBondContact NE-OE1 2.87Å; R181-E185 IonicContact NE-OE2 3.88Å; R181-E185 PolarHBondContact NE-OE2 2.88Å; R181-E185 IonicContact NH2-OE1 3.81Å; R181-E185 PolarHBondContact NH2-OE1 3.48Å; R181-E185 IonicContact NH2-OE2 3.8Å; R181-E185 PolarHBondContact NH2-OE2 3.18Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 WeakPolarHBondContact O-CG 3.5Å; R181-E185 PolarHBondContact O-N 3.5Å
186	G	98.2	Very high	98.2	Very high	22 Å²	22	54.1 Å²	54.1	23%	0.227	26%	0.262	C	S	.	.	I	π-helix	trans	-109.4	-92.7	-177.8	0	0	0	0	0	112.4	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.79Å; A182-G186 VanDerWaalsContact O-N 3.15Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 3.22Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.97Å; G186-V189 PolarHBondContact O-N 3.16Å; G186-V189 VanDerWaalsContact O-N 3.07Å; G186-E190 WeakPolarHBondContact O-CG 3.4Å; G186-E190 PolarHBondContact O-N 3.18Å
187	T	98.3	Very high	98.2	Very high	59 Å²	59	58.5 Å²	58.5	36%	0.362	28%	0.281	S	S	.	.	I	π-helix	trans	-48.1	-47.8	-171.9	-54.8	0	0	0	0	113.2	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.86Å; Y183-T187 HydrophobicContact CE2-CG2 3.78Å; Y183-T187 PolarHBondContact O-N 2.76Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; T187-V189 PolarHBondContact O-N 3.06Å; T187-E190 PolarHBondContact O-N 3.21Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.47Å; T187-W191 PolarHBondContact O-N 3.14Å
188	C	98.6	Very high	98.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-48.8	-178.5	-173.5	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.34Å; M29-C188 WeakPolarHBondContact CE-SG 3.32Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 2.93Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.86Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.22Å; Y183-C188 PolarHBondContact O-N 2.99Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.97Å; C188-W191 PolarHBondContact O-N 3.2Å; C188-L192 WeakPolarHBondContact O-CB 3.46Å; C188-L192 PolarHBondContact O-N 3.24Å
189	V	98.6	Very high	98	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-41.8	-180	173.4	0	0	0	0	111.2	C125 V127 G131 L133 L184 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.39Å; V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 4.01Å; V127-V189 HydrophobicContact CG1-CG2 3.98Å; G131-V189 WeakPolarHBondContact O-CG1 3.09Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å; L184-V189 WeakPolarHBondContact O-CG2 3.47Å; G186-V189 PolarHBondContact O-N 3.16Å; G186-V189 VanDerWaalsContact O-N 3.07Å; T187-V189 PolarHBondContact O-N 3.06Å; V189-L192 PolarHBondContact O-N 3.44Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 3.04Å
190	E	98.4	Very high	97.8	Very high	130 Å²	130	53.9 Å²	53.9	61%	0.607	26%	0.258	S	S	*	.	H	α-helix	trans	-62.1	-46.8	178.2	-71.3	178	176.8	0	0	112.1	G186 T187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.4Å; G186-E190 PolarHBondContact O-N 3.18Å; T187-E190 PolarHBondContact O-N 3.21Å; E190-R193 PolarHBondContact O-N 3.03Å; E190-R194 PolarHBondContact O-N 3.07Å; E190-R194 VanDerWaalsContact O-N 3.08Å
191	W	98.4	Very high	97.5	Very high	50 Å²	50	60.3 Å²	60.3	19%	0.189	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-41.8	177.7	-81.2	100.6	0	0	0	112.2	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.1Å; M29-W191 HydrophobicContact SD-CB 4.49Å; Y83-W191 AromaticContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CH2 3.47Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CZ2 4.2Å; Y83-W191 AromaticContact CD2-CZ3 3.66Å; Y83-W191 HydrophobicContact CD2-CZ3 3.66Å; Y83-W191 HydrophobicContact CE2-CE3 4.11Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CZ2 4.49Å; Y83-W191 AromaticContact CE2-CZ3 3.63Å; Y83-W191 HydrophobicContact CE2-CZ3 3.63Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.47Å; T187-W191 PolarHBondContact O-N 3.14Å; C188-W191 PolarHBondContact O-N 3.2Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.01Å; W191-R194 WeakPolarHBondContact O-CB 3.42Å; W191-R194 PolarHBondContact O-N 3.19Å; W191-R194 VanDerWaalsContact O-N 3.15Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.38Å; W191-Y195 AromaticContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE1 3.42Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE2 4.42Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 PolarHBondContact O-N 3.13Å
192	L	98.6	Very high	97.2	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-45.8	175.6	174.5	52.8	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.41Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.41Å; M29-L192 HydrophobicContact SD-CB 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.19Å; C188-L192 WeakPolarHBondContact O-CB 3.46Å; C188-L192 PolarHBondContact O-N 3.24Å; V189-L192 PolarHBondContact O-N 3.44Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.12Å; L192-Y195 PolarHBondContact O-N 3.34Å; L192-L196 HydrophobicContact CD1-CD1 3.87Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.88Å
193	R	97.8	Very high	96.9	Very high	116 Å²	116	56.1 Å²	56.1	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-43.2	175.4	-71.9	173.4	-175.9	177.5	2.7	112.4	G131 V189 E190 W191 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.28Å; G131-R193 PolarHBondContact O-NE 3.23Å; G131-R193 PolarHBondContact O-NH2 2.64Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 3.04Å; E190-R193 PolarHBondContact O-N 3.03Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.01Å; R193-L196 PolarHBondContact O-N 2.83Å; R193-E197 PolarHBondContact O-N 2.81Å; R193-E197 VanDerWaalsContact O-N 3.08Å
194	R	97.8	Very high	96.6	Very high	121 Å²	121	57.2 Å²	57.2	46%	0.457	27%	0.27	S	S	.	.	H	α-helix	trans	-60.5	-45	175.9	179.1	-179.7	174.4	112.9	-6.2	111.2	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.83Å; E79-R194 IonicContact OE1-NE 3.8Å; E79-R194 PolarHBondContact OE1-NE 2.98Å; E79-R194 IonicContact OE1-NH2 3.72Å; E79-R194 PolarHBondContact OE1-NH2 3.41Å; E79-R194 IonicContact OE2-CZ 3.2Å; E79-R194 IonicContact OE2-NE 2.78Å; E79-R194 IonicContact OE2-NH2 3.1Å; E79-R194 PolarHBondContact OE2-NH2 3.24Å; E190-R194 PolarHBondContact O-N 3.07Å; E190-R194 VanDerWaalsContact O-N 3.08Å; W191-R194 WeakPolarHBondContact O-CB 3.42Å; W191-R194 PolarHBondContact O-N 3.19Å; W191-R194 VanDerWaalsContact O-N 3.15Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 2.91Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.44Å; R194-N198 PolarHBondContact O-N 2.88Å; R194-N198 PolarHBondContact O-OD1 3.37Å
195	Y	98.1	Very high	96.4	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-39.8	178.6	-61.5	-25.4	0	0	0	112.7	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.47Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; F57-Y195 HydrophobicContact CD2-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.92Å; F57-Y195 HydrophobicContact CZ-CD2 4.27Å; F57-Y195 AromaticContact CZ-CE2 3.73Å; F57-Y195 HydrophobicContact CZ-CE2 3.73Å; W75-Y195 HydrophobicContact CE3-CD1 4.45Å; W75-Y195 HydrophobicContact CH2-CD2 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.16Å; W75-Y195 AromaticContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD2 4.29Å; W75-Y195 HydrophobicContact CZ3-CE1 4.5Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; I76-Y195 HydrophobicContact CD1-CD1 3.82Å; I76-Y195 HydrophobicContact CD1-CE1 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 2.79Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.38Å; W191-Y195 AromaticContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE1 3.42Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE2 4.42Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 PolarHBondContact O-N 3.13Å; L192-Y195 PolarHBondContact O-N 3.34Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.48Å; Y195-N198 PolarHBondContact O-N 3.49Å; Y195-G199 WeakPolarHBondContact O-CA 3.33Å; Y195-G199 PolarHBondContact O-N 2.94Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å
196	L	97.1	Very high	96.2	Very high	14 Å²	14	60 Å²	60	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-34.9	175.3	-71	169.8	0	0	0	112.6	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.3Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.87Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.88Å; R193-L196 PolarHBondContact O-N 2.83Å; L196-K200 WeakPolarHBondContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 3.24Å; L196-K200 VanDerWaalsContact O-N 3.14Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 3.06Å
197	E	96.5	Very high	96.1	Very high	120 Å²	120	60.7 Å²	60.7	56%	0.561	28%	0.282	S	S	*	.	H	α-helix	trans	-73.1	-48.7	174.3	-172.1	59.3	-152.6	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.81Å; R193-E197 VanDerWaalsContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 2.91Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.48Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 2.92Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 2.98Å
198	N	96.8	Very high	96.1	Very high	52 Å²	52	61 Å²	61	28%	0.278	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-40.2	178.4	-78.2	0.4	0	0	0	112.9	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 3.11Å; E79-N198 PolarHBondContact OE1-ND2 3.24Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.44Å; R194-N198 PolarHBondContact O-N 2.88Å; R194-N198 PolarHBondContact O-OD1 3.37Å; Y195-N198 PolarHBondContact O-N 3.49Å
199	G	95.8	Very high	96.1	Very high	3 Å²	3	61.4 Å²	61.4	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	21	-177.7	0	0	0	0	0	113.6	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.33Å; Y195-G199 PolarHBondContact O-N 2.94Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 2.92Å; G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 2.92Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 PolarHBondContact O-N 3.34Å; G199-T202 PolarHBondContact O-OG1 3.44Å; G199-L203 WeakPolarHBondContact O-CB 3.25Å; G199-L203 PolarHBondContact O-N 3.4Å
200	K	94.1	Very high	96.1	Very high	107 Å²	107	68.5 Å²	68.5	47%	0.465	32%	0.317	S	S	.	.	H	α-helix	trans	-52.7	-42.5	-171.3	-178.6	173.3	-174.9	172.2	0	114.4	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 3.24Å; L196-K200 VanDerWaalsContact O-N 3.14Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 2.98Å; K200-T202 PolarHBondContact O-N 3.11Å; K200-Q204 HydrophobicContact CG-CG 4.5Å; K200-Q204 PolarHBondContact O-N 3.22Å
201	E	91.8	Very high	96	Very high	168 Å²	168	64 Å²	64	79%	0.785	30%	0.298	S	S	*	.	H	α-helix	trans	-64.1	-25	-179.3	-62.7	-171.8	162.9	0	0	113.5	G199 R205	G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 2.92Å; E201-R205 PolarHBondContact O-NH1 3.01Å; E201-R205 VanDerWaalsContact O-NH1 3.16Å
202	T	92	Very high	96	Very high	43 Å²	43	65.4 Å²	65.4	26%	0.264	31%	0.307	S	S	.	.	H	α-helix	trans	-99.4	-65.8	176.8	50.8	0	0	0	0	110.3	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.58Å; G199-T202 PolarHBondContact O-N 3.34Å; G199-T202 PolarHBondContact O-OG1 3.44Å; K200-T202 PolarHBondContact O-N 3.11Å; T202-Q204 PolarHBondContact O-N 3.48Å; T202-R205 WeakPolarHBondContact O-CB 3.44Å; T202-R205 PolarHBondContact O-N 2.88Å; T202-R205 VanDerWaalsContact O-N 3.11Å; T202-R263 VanDerWaalsContact CA-NH1 3.29Å; T202-R263 VanDerWaalsContact CB-NH1 3.29Å; T202-R263 VanDerWaalsContact O-CZ 3.27Å; T202-R263 PolarHBondContact O-NH1 2.81Å; T202-R263 PolarHBondContact O-NH2 2.81Å
203	L	93.3	Very high	96	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-35.1	-167.4	-63.1	172.6	0	0	0	113.9	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; T55-L203 HydrophobicContact CG2-CD2 4.13Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.15Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 WeakPolarHBondContact O-CB 3.25Å; G199-L203 PolarHBondContact O-N 3.4Å; L203-R205 VanDerWaalsContact C-N 3.33Å
204	Q	91.8	Very high	95.9	Very high	91 Å²	91	62.4 Å²	62.4	43%	0.425	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	12.7	179.7	-58.6	-178.7	33.8	0	0	112.8	L196 K200 T202	L196-Q204 PolarHBondContact O-NE2 3.06Å; K200-Q204 HydrophobicContact CG-CG 4.5Å; K200-Q204 PolarHBondContact O-N 3.22Å; T202-Q204 PolarHBondContact O-N 3.48Å
205	R	93.3	Very high	95.8	Very high	118 Å²	118	59.2 Å²	59.2	45%	0.445	29%	0.292	S	S	.	.			trans	-106.4	117.6	177.5	-169.9	-178.1	78.5	-143.3	3.9	110.1	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 3.01Å; E201-R205 VanDerWaalsContact O-NH1 3.16Å; T202-R205 WeakPolarHBondContact O-CB 3.44Å; T202-R205 PolarHBondContact O-N 2.88Å; T202-R205 VanDerWaalsContact O-N 3.11Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-D207 IonicContact CZ-OD1 2.74Å; R205-D207 IonicContact CZ-OD2 3.93Å; R205-D207 IonicContact NE-OD1 3.42Å; R205-D207 PolarHBondContact NE-OD1 2.9Å; R205-D207 IonicContact NE-OD2 3.67Å; R205-D207 IonicContact NH2-OD1 3.54Å; R205-D207 IonicContact NH2-OD2 2.9Å; R205-D207 PolarHBondContact NH2-OD2 2.84Å; R205-D207 VanDerWaalsContact NH2-OD2 3.07Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å
206	A	95.1	Very high	95.7	Very high	30 Å²	30	63.1 Å²	63.1	25%	0.248	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-87.2	124.7	167.3	0	0	0	0	0	110.2	Y233 E288	A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.47Å; A206-E288 HydrophobicContact CB-CB 4.22Å; A206-E288 HydrophobicContact CB-CG 4.45Å
207	D	96.5	Very high	95.5	Very high	38 Å²	38	67.1 Å²	67.1	20%	0.203	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-99	117	175.3	-67.7	-33	0	0	0	107.7	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 2.74Å; R205-D207 IonicContact CZ-OD2 3.93Å; R205-D207 IonicContact NE-OD1 3.42Å; R205-D207 PolarHBondContact NE-OD1 2.9Å; R205-D207 IonicContact NE-OD2 3.67Å; R205-D207 IonicContact NH2-OD1 3.54Å; R205-D207 IonicContact NH2-OD2 2.9Å; R205-D207 PolarHBondContact NH2-OD2 2.84Å; R205-D207 VanDerWaalsContact NH2-OD2 3.07Å; D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.45Å; D207-F232 WeakPolarHBondContact O-CB 3.49Å; D207-Y233 PolarHBondContact N-O 2.89Å; D207-Y233 PolarHBondContact O-N 3.17Å; D207-H287 PolarHBondContact O-CE1 3.29Å
208	P	97.6	Very high	95.3	Very high	64 Å²	64	66.1 Å²	66.1	42%	0.416	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-71.2	150.2	-175.4	25.4	-33	0	0	0	112.9	L290	P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.45Å
209	P	98.3	Very high	95.1	Very high	9 Å²	9	66.2 Å²	66.2	6%	0.058	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67.8	135	179.5	28.1	-35.3	0	0	0	112.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.6Å; P209-A229 HydrophobicContact CB-CB 3.87Å; 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 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.08Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.1Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	98.3	Very high	94.8	Very high	157 Å²	157	73.3 Å²	73.3	68%	0.683	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	109.3	163.6	-64.4	172.3	-173.9	168	0	108.2	L230	K210-L230 PolarHBondContact N-O 3.31Å; K210-L230 PolarHBondContact O-N 3.26Å
211	T	98.1	Very high	94.8	Very high	35 Å²	35	75.1 Å²	75.1	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.3	-172	54.2	0	0	0	0	112.9	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.6Å; T211-W228 WeakPolarHBondContact CA-O 3.29Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4Å; T211-L294 HydrophobicContact CG2-CD1 4.29Å; T211-L296 HydrophobicContact CG2-CD1 4.41Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.28Å
212	H	97.3	Very high	94.9	Very high	80 Å²	80	71.5 Å²	71.5	37%	0.37	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	159.3	171.1	63.9	-76.4	0	0	0	110.9	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.25Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 2.94Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.31Å
213	V	98.1	Very high	95.1	Very high	22 Å²	22	69.5 Å²	69.5	13%	0.133	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.2	176.9	-179.4	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 WeakPolarHBondContact CA-O 3.3Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.79Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.8	Very high	95.3	Very high	32 Å²	32	70.2 Å²	70.2	20%	0.196	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	146.7	175.4	55.3	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.45Å; T214-L225 WeakPolarHBondContact O-CA 3.5Å; T214-R226 PolarHBondContact N-O 2.94Å; T214-R226 PolarHBondContact O-N 2.71Å; T214-R226 WeakPolarHBondContact OG1-CB 3.44Å; T214-R226 PolarHBondContact OG1-O 2.86Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 3.34Å
215	H	96.3	Very high	95.6	Very high	54 Å²	54	65.9 Å²	65.9	25%	0.25	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.3	-178.8	169.8	-91.4	0	0	0	109.7	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.29Å; H215-T224 WeakPolarHBondContact CA-O 3.37Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; H215-E278 IonicContact NE2-OE1 2.71Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.14Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact CG-NE1 3.98Å; H215-W298 AromaticContact ND1-CZ2 3.95Å
216	H	94.6	Very high	95.9	Very high	83 Å²	83	62.7 Å²	62.7	38%	0.384	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	106.4	-178.9	-59.2	84	0	0	0	109.2	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.45Å; H216-I218 PolarHBondContact O-N 2.9Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; H216-T224 PolarHBondContact N-O 3.28Å; H216-T224 PolarHBondContact O-N 3.08Å; H216-R226 PolarHBondContact CE1-NH1 3.49Å
217	P	93.9	Very high	96	Very high	99 Å²	99	61.3 Å²	61.3	64%	0.643	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	131.5	173.2	-20.8	31.3	0	0	0	110.8
218	I	92.4	Very high	96.1	Very high	99 Å²	99	62 Å²	62	51%	0.508	32%	0.317	S	S	.	.			trans	-99.9	-44.5	173.3	-60.2	162.8	0	0	0	109.5	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.9Å; I218-E222 PolarHBondContact N-O 3.33Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.49Å; I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.07Å
219	S	92.3	Very high	96.2	Very high	53 Å²	53	58.9 Å²	58.9	37%	0.371	30%	0.298	S	S	.	.	S	Bend	trans	-146.7	-179.5	178.2	72.7	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.3Å; S219-H221 PolarHBondContact OG-N 3.49Å; S219-E222 PolarHBondContact N-O 3.02Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.89Å
220	D	89.7	Confident	96.2	Very high	152 Å²	152	61 Å²	61	81%	0.813	31%	0.308	S	S	*	.	S	Bend	trans	-62.4	-19.6	173	-65.5	-22.2	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.38Å
221	H	92.9	Very high	96.1	Very high	146 Å²	146	54.6 Å²	54.6	68%	0.676	29%	0.287	S	S	*	.	S	Bend	trans	-107.1	-15.7	-174.1	-55.4	-48.5	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.3Å; S219-H221 PolarHBondContact OG-N 3.49Å; H221-P274 CarbonylContact O-C 3.49Å; H221-P274 WeakPolarHBondContact O-CA 3.44Å; H221-S275 PolarHBondContact O-N 2.83Å; H221-S275 PolarHBondContact O-OG 2.92Å
222	E	95.2	Very high	96.1	Very high	92 Å²	92	53 Å²	53	43%	0.43	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	145.5	-171.7	-66.1	-178.8	163.2	0	0	112.5	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.33Å; S219-E222 PolarHBondContact N-O 3.02Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.89Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.39Å; E222-S275 PolarHBondContact N-OG 3.29Å
223	A	96.1	Very high	96.1	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.9	172.2	0	0	0	0	0	111	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.29Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 2.92Å; A223-V273 PolarHBondContact O-N 3.48Å
224	T	97.6	Very high	96	Very high	20 Å²	20	49 Å²	49	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.9	168.6	-52.3	0	0	0	0	109.8	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.37Å; H216-T224 PolarHBondContact N-O 3.28Å; H216-T224 PolarHBondContact O-N 3.08Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.49Å; T224-A270 HydrophobicContact CG2-CB 3.87Å; T224-V271 WeakPolarHBondContact CA-O 3.4Å
225	L	98.1	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.2	162.5	-64.1	-175.5	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.5Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 2.63Å; L225-V271 PolarHBondContact O-N 3.18Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.97Å
226	R	98.3	Very high	96.1	Very high	51 Å²	51	51 Å²	51	19%	0.192	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	117	176.3	-179.1	-177.8	-61.6	112.6	2.8	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.3Å; T214-R226 PolarHBondContact N-O 2.94Å; T214-R226 PolarHBondContact O-N 2.71Å; T214-R226 WeakPolarHBondContact OG1-CB 3.44Å; T214-R226 PolarHBondContact OG1-O 2.86Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; H216-R226 PolarHBondContact CE1-NH1 3.49Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.35Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	98.3	Very high	96.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.1	175.5	-173.2	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.44Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.25Å; C227-A269 PolarHBondContact N-O 2.99Å; C227-A269 PolarHBondContact O-N 2.97Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.06Å
228	W	98.5	Very high	96.3	Very high	52 Å²	52	45 Å²	45	20%	0.197	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	141.9	180	-69.6	89	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.29Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.25Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 2.94Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.31Å; T214-W228 PolarHBondContact OG1-NE1 3.34Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.49Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.69Å; W228-W268 HydrophobicContact CH2-CG 4.33Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.45Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.45Å; W228-W268 HydrophobicContact CZ3-CG 4.15Å
229	A	98.6	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.4	162.5	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.23Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.46Å; A229-K267 PolarHBondContact N-O 3.32Å; A229-K267 PolarHBondContact O-N 3.19Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.4	Very high	96.8	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.277	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.9	-174.7	-58.7	176.8	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.31Å; K210-L230 PolarHBondContact O-N 3.26Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; L230-F232 PolarHBondContact O-N 2.79Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.8	Very high	97.2	Very high	23 Å²	23	32.8 Å²	32.8	24%	0.237	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	29.6	167.5	0	0	0	0	0	114.1	F265	G231-F265 PolarHBondContact N-O 3.33Å
232	F	98	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	155.6	-179.4	59.3	-89	0	0	0	112.9	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.45Å; D207-F232 WeakPolarHBondContact O-CB 3.49Å; 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 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.23Å; L230-F232 PolarHBondContact O-N 2.79Å; F232-P234 WeakPolarHBondContact CD2-O 3.43Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.88Å; 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 4.11Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.98Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.41Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.46Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.29Å; F232-F265 PolarHBondContact O-N 3.25Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	96.9	Very high	97.6	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-149.8	136.3	172.3	178.6	-83	0	0	0	108.9	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.91Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.16Å; T55-Y233 PolarHBondContact OG1-OH 2.86Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å; A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.47Å; D207-Y233 PolarHBondContact N-O 2.89Å; D207-Y233 PolarHBondContact O-N 3.17Å; Y233-R263 HydrophobicContact CD2-CG 3.91Å; Y233-R263 HydrophobicContact CE2-CG 4.1Å; Y233-R263 PolarHBondContact OH-NH2 3.24Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; Y233-H287 PolarHBondContact O-CE1 3.19Å
234	P	96.3	Very high	97.5	Very high	15 Å²	15	31.5 Å²	31.5	10%	0.097	16%	0.162	C	C	.	.	S	Bend	cis	-71.9	178.7	2.5	30.1	-36.4	0	0	0	113.5	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.43Å; P234-E236 VanDerWaalsContact C-N 3.34Å; P234-H287 PolarHBondContact O-NE2 2.95Å; P234-E288 WeakPolarHBondContact CG-OE2 3.41Å
235	A	97.1	Very high	97.2	Very high	14 Å²	14	33 Å²	33	12%	0.116	18%	0.18	C	C	.	.	S	Bend	trans	-69.7	-29.1	-176	0	0	0	0	0	113.4	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.04Å; D54-A235 PolarHBondContact OD2-N 2.92Å; A235-I237 PolarHBondContact O-N 3.1Å; A235-T257 HydrophobicContact CB-CG2 4.35Å; A235-T257 WeakPolarHBondContact O-CG2 3.49Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.63Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.62Å
236	E	96.2	Very high	97.1	Very high	115 Å²	115	40 Å²	40	54%	0.537	21%	0.213	S	C	.	.			trans	-62.1	123.3	178.3	-169	69.4	-157.7	0	0	109.3	W23 P234 H287	W23-E236 HydrophobicContact CH2-CB 3.69Å; W23-E236 HydrophobicContact CH2-CG 3.23Å; W23-E236 WeakPolarHBondContact CH2-O 3.29Å; W23-E236 HydrophobicContact CZ2-CB 4.01Å; W23-E236 HydrophobicContact CZ2-CG 3.06Å; W23-E236 HydrophobicContact CZ3-CB 4.04Å; W23-E236 HydrophobicContact CZ3-CG 4.01Å; W23-E236 WeakPolarHBondContact CZ3-O 3.22Å; P234-E236 VanDerWaalsContact C-N 3.34Å; E236-H287 PolarHBondContact O-CD2 2.77Å
237	I	97.1	Very high	97	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.051	23%	0.229	C	C	.	.			trans	-156.3	143.5	-179.3	-165	170.8	0	0	0	109.3	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.08Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.88Å; 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 4.11Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; A235-I237 PolarHBondContact O-N 3.1Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.06Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; I237-V285 HydrophobicContact CD1-CG1 4.02Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; I237-H287 HydrophobicContact CD1-CB 4.35Å; I237-H287 HydrophobicContact CG1-CB 4.1Å
238	T	97.5	Very high	96.8	Very high	44 Å²	44	43.3 Å²	43.3	27%	0.27	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.5	173.8	-60.8	0	0	0	0	110.6	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.08Å; T238-V285 WeakPolarHBondContact O-CA 3.44Å; T238-Q286 PolarHBondContact N-O 2.83Å; T238-Q286 PolarHBondContact O-N 3.03Å
239	L	97.8	Very high	96.4	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.3	172.9	-86.4	64.3	0	0	0	108.8	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.06Å; L239-L254 HydrophobicContact CB-CD1 4.18Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.14Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.5	Very high	96	Very high	39 Å²	39	55 Å²	55	24%	0.239	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.3	178.7	48.2	0	0	0	0	111.1	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.08Å; T240-C283 CarbonylContact O-C 3.58Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; T240-H284 PolarHBondContact N-O 3.34Å; T240-H284 PolarHBondContact O-N 2.85Å; T240-H284 WeakPolarHBondContact OG1-CB 3.1Å
241	W	98.2	Very high	95.5	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.1	169.8	-82.9	106.3	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; 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 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.24Å; W241-A269 PolarHBondContact NE1-O 3.49Å; W241-V271 HydrophobicContact CB-CG1 4.39Å; W241-V271 HydrophobicContact CD2-CG1 3.65Å; W241-V271 HydrophobicContact CE3-CG1 4.07Å; W241-V271 HydrophobicContact CG-CB 4.2Å; W241-V271 HydrophobicContact CG-CG1 3.8Å; W241-V271 HydrophobicContact CZ2-CG1 4.37Å; W241-T282 WeakPolarHBondContact CA-O 3.39Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.9	Very high	95.4	Very high	42 Å²	42	57.8 Å²	57.8	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146	171.9	-70.5	-175	-6.7	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 2.89Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.09Å; Q242-T282 PolarHBondContact N-O 3.28Å; Q242-T282 PolarHBondContact O-N 2.88Å; Q242-H284 PolarHBondContact OE1-NE2 3.09Å
243	R	97.3	Very high	95.3	Very high	72 Å²	72	63.4 Å²	63.4	27%	0.272	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.8	168.6	-176.3	-172.1	-175.9	-179.8	-0.3	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.46Å; R243-E246 PolarHBondContact N-O 3.36Å; R243-E246 PolarHBondContact O-N 3.32Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; R243-E277 IonicContact CZ-OE2 3.68Å; R243-E277 IonicContact NE-OE2 3.39Å; R243-E277 IonicContact NH2-OE1 3.5Å; R243-E277 IonicContact NH2-OE2 3.64Å; R243-E277 PolarHBondContact NH2-OE2 3.26Å; R243-R280 WeakPolarHBondContact CA-O 3.44Å; R243-R280 HydrophobicContact CG-CB 4.37Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 WeakPolarHBondContact CD-OH 3.37Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244	D	95.1	Very high	95.3	Very high	99 Å²	99	67.4 Å²	67.4	53%	0.529	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	28.8	-175.2	-54.2	-48.8	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.11Å; D244-R280 IonicContact OD1-NE 3.45Å; D244-R280 PolarHBondContact OD1-NE 3.18Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 3.26Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3.18Å
245	G	91.3	Very high	95.3	Very high	50 Å²	50	68.4 Å²	68.4	52%	0.515	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-0.4	-177.6	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.46Å
246	E	95.4	Very high	95.3	Very high	147 Å²	147	75.4 Å²	75.4	69%	0.687	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.6	175.7	-63.2	-173.5	170	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; R243-E246 PolarHBondContact N-O 3.36Å; R243-E246 PolarHBondContact O-N 3.32Å; E246-Q248 PolarHBondContact O-NE2 2.98Å
247	D	95.2	Very high	95.4	Very high	97 Å²	97	72 Å²	72	52%	0.519	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	133.5	-179.4	-68.3	-25.1	0	0	0	112.2	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 2.89Å
248	Q	94.9	Very high	95.4	Very high	25 Å²	25	76.2 Å²	76.2	12%	0.117	40%	0.395	C	S	.	.			trans	-104.1	38.2	-177.6	-57.6	-60.8	-70.1	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.24Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 2.98Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.49Å; Q248-D251 PolarHBondContact O-N 3.5Å; Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.31Å; Q248-T252 PolarHBondContact O-N 2.53Å; Q248-T252 PolarHBondContact O-OG1 2.88Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å
249	T	90.1	Very high	95.4	Very high	106 Å²	106	78.5 Å²	78.5	65%	0.65	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.6	-169.2	-47.9	0	0	0	0	113.9
250	Q	90.1	Very high	95.4	Very high	190 Å²	190	80.6 Å²	80.6	89%	0.888	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-30.9	-178.4	-66.8	-174.8	6.4	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.49Å
251	D	88.3	Confident	95.1	Very high	112 Å²	112	82.4 Å²	82.4	60%	0.599	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.6	-177.7	-56.3	-53.6	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.5Å
252	T	95.2	Very high	94.9	Very high	24 Å²	24	87.5 Å²	87.5	15%	0.147	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.6	179.7	-63.9	0	0	0	0	110.7	Q248 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.31Å; Q248-T252 PolarHBondContact O-N 2.53Å; Q248-T252 PolarHBondContact O-OG1 2.88Å; T252-L254 HydrophobicContact CG2-CB 4.45Å; T252-L254 PolarHBondContact O-N 2.83Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.5Å
253	E	96.8	Very high	94.6	Very high	117 Å²	117	88.3 Å²	88.3	55%	0.547	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	107.3	163.3	-173.7	-174.2	-172.4	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.19Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.46Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.17Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.22Å; E253-A270 PolarHBondContact O-N 3.17Å
254	L	96.7	Very high	94.6	Very high	89 Å²	89	85.7 Å²	85.7	47%	0.466	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.4	177.7	-174.1	68.1	0	0	0	109.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.18Å; T252-L254 HydrophobicContact CG2-CB 4.45Å; T252-L254 PolarHBondContact O-N 2.83Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
255	V	96.6	Very high	94.7	Very high	35 Å²	35	82.2 Å²	82.2	21%	0.212	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-85.5	154	175.1	-65	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.21Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.99Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.05Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.43Å; V255-W268 PolarHBondContact N-O 3.1Å
256	E	96.8	Very high	95.1	Very high	161 Å²	161	82 Å²	82	75%	0.752	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.9	146.9	168.4	-68	-58.6	161.9	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 3.09Å
257	T	97.9	Very high	95.2	Very high	43 Å²	43	75.8 Å²	75.8	26%	0.264	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-67.5	129.9	174.8	-56.9	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.98Å; A235-T257 HydrophobicContact CB-CG2 4.35Å; A235-T257 WeakPolarHBondContact O-CG2 3.49Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.49Å; T257-K267 PolarHBondContact OG1-NZ 3.08Å; T257-K267 VanDerWaalsContact OG1-NZ 3.13Å
258	R	97.4	Very high	95.4	Very high	99 Å²	99	72.4 Å²	72.4	37%	0.374	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.1	-174.8	68.9	-167.1	-179	-174.7	3.8	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.09Å; R258-F265 WeakPolarHBondContact O-CA 3.4Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.83Å; R258-Q266 WeakPolarHBondContact O-CG 3.41Å; R258-Q266 PolarHBondContact O-N 2.86Å
259	P	97.3	Very high	95.5	Very high	93 Å²	93	71.2 Å²	71.2	60%	0.604	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	145.3	177.8	28.8	-34.6	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	96.4	Very high	95.9	Very high	50 Å²	50	66.3 Å²	66.3	41%	0.413	36%	0.357	S	S	.	.			trans	-89.7	-15.3	172.8	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.43Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.31Å; A260-T264 PolarHBondContact N-O 2.82Å
261	G	92.9	Very high	96.3	Very high	77 Å²	77	57.4 Å²	57.4	79%	0.794	32%	0.315	S	S	*	.	S	Bend	trans	95.4	-4.3	179.7	0	0	0	0	0	114.6
262	D	92.6	Very high	96.7	Very high	109 Å²	109	55.5 Å²	55.5	58%	0.583	31%	0.307	S	S	*	.	S	Bend	trans	-117.3	31.6	-179.8	65.2	-5.9	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.43Å; D262-T264 PolarHBondContact O-N 2.87Å; D262-T264 WeakPolarHBondContact OD1-CB 3.21Å; D262-T264 PolarHBondContact OD1-N 3.09Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.15Å
263	R	92.3	Very high	96.8	Very high	59 Å²	59	54.4 Å²	54.4	22%	0.223	30%	0.301	C	S	.	.	S	Bend	trans	73.9	-20.1	-169.6	-174.7	-177.4	178.4	-133.8	-9.4	115.1	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.86Å; T202-R263 VanDerWaalsContact CA-NH1 3.29Å; T202-R263 VanDerWaalsContact CB-NH1 3.29Å; T202-R263 VanDerWaalsContact O-CZ 3.27Å; T202-R263 PolarHBondContact O-NH1 2.81Å; T202-R263 PolarHBondContact O-NH2 2.81Å; Y233-R263 HydrophobicContact CD2-CG 3.91Å; Y233-R263 HydrophobicContact CE2-CG 4.1Å; Y233-R263 PolarHBondContact OH-NH2 3.24Å; R263-F265 WeakPolarHBondContact O-CE2 3.46Å
264	T	97	Very high	96.8	Very high	18 Å²	18	51 Å²	51	11%	0.11	29%	0.289	C	S	.	.			trans	-85.2	167.6	-178.9	75.7	0	0	0	0	112.8	F232 A260 D262	F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.31Å; A260-T264 PolarHBondContact N-O 2.82Å; D262-T264 PolarHBondContact O-N 2.87Å; D262-T264 WeakPolarHBondContact OD1-CB 3.21Å; D262-T264 PolarHBondContact OD1-N 3.09Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.15Å
265	F	98.4	Very high	96.6	Very high	25 Å²	25	49.4 Å²	49.4	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	163.4	179.9	-64.6	-87.8	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 3.33Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.41Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.46Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.29Å; F232-F265 PolarHBondContact O-N 3.25Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.63Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.62Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.4Å; P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å; R263-F265 WeakPolarHBondContact O-CE2 3.46Å
266	Q	98.3	Very high	96.4	Very high	45 Å²	45	50.9 Å²	50.9	21%	0.21	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.3	174.5	40.9	166.2	-16.3	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.46Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.83Å; R258-Q266 WeakPolarHBondContact O-CG 3.41Å; R258-Q266 PolarHBondContact O-N 2.86Å
267	K	98.6	Very high	96.3	Very high	17 Å²	17	45.8 Å²	45.8	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.4	176.7	-161.3	-176.8	-171	69.5	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.32Å; A229-K267 PolarHBondContact O-N 3.19Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.21Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.99Å; T257-K267 WeakPolarHBondContact OG1-CD 3.49Å; T257-K267 PolarHBondContact OG1-NZ 3.08Å; T257-K267 VanDerWaalsContact OG1-NZ 3.13Å
268	W	98.3	Very high	96.2	Very high	27 Å²	27	44.7 Å²	44.7	10%	0.102	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.3	169.4	59.5	-99.6	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.44Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.25Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.49Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.69Å; W228-W268 HydrophobicContact CH2-CG 4.33Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.45Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.45Å; W228-W268 HydrophobicContact CZ3-CG 4.15Å; E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.19Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.46Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.05Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.43Å; V255-W268 PolarHBondContact N-O 3.1Å; W268-A270 HydrophobicContact CE3-CB 3.9Å; W268-A270 HydrophobicContact CZ3-CB 3.59Å
269	A	98.3	Very high	96.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.8	173.8	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.35Å; C227-A269 PolarHBondContact N-O 2.99Å; C227-A269 PolarHBondContact O-N 2.97Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 3.49Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.17Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
270	A	98	Very high	96	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145	-179.9	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.87Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.5Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.22Å; E253-A270 PolarHBondContact O-N 3.17Å; W268-A270 HydrophobicContact CE3-CB 3.9Å; W268-A270 HydrophobicContact CZ3-CB 3.59Å
271	V	97.9	Very high	96.1	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.5	175.9	62.9	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.4Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 2.63Å; L225-V271 PolarHBondContact O-N 3.18Å; W241-V271 HydrophobicContact CB-CG1 4.39Å; W241-V271 HydrophobicContact CD2-CG1 3.65Å; W241-V271 HydrophobicContact CE3-CG1 4.07Å; W241-V271 HydrophobicContact CG-CB 4.2Å; W241-V271 HydrophobicContact CG-CG1 3.8Å; W241-V271 HydrophobicContact CZ2-CG1 4.37Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.42Å; V271-Y281 HydrophobicContact CG1-CD1 4.02Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.04Å
272	V	97.6	Very high	96.3	Very high	72 Å²	72	39.6 Å²	39.6	44%	0.436	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128	171.3	-179.5	0	0	0	0	108.1	I218 E222	I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.07Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å
273	V	96.6	Very high	96.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.9	-175.9	-51.5	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.39Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 2.92Å; A223-V273 PolarHBondContact O-N 3.48Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.42Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.4	Very high	96.8	Very high	46 Å²	46	33.4 Å²	33.4	30%	0.299	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	140	170.4	-19.9	32.1	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.49Å; H221-P274 WeakPolarHBondContact O-CA 3.44Å; P274-G276 PolarHBondContact O-N 3.17Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.43Å; P274-E277 PolarHBondContact O-N 3.49Å
275	S	92.8	Very high	96.9	Very high	56 Å²	56	32.5 Å²	32.5	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	127.5	175.2	-63.7	0	0	0	0	110.9	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.38Å; H221-S275 PolarHBondContact O-N 2.83Å; H221-S275 PolarHBondContact O-OG 2.92Å; E222-S275 PolarHBondContact N-OG 3.29Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å
276	G	91.7	Very high	96.9	Very high	66 Å²	66	34.8 Å²	34.8	68%	0.68	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	-6.4	-178.6	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.17Å; G276-E278 WeakPolarHBondContact CA-OE2 2.98Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.88Å; G276-E278 PolarHBondContact N-OE2 3.4Å
277	E	95.4	Very high	96.8	Very high	54 Å²	54	33.2 Å²	33.2	25%	0.252	18%	0.183	S	C	.	.			trans	-99.6	3.6	175.7	-65.4	-159.1	-155.7	0	0	113.7	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.68Å; R243-E277 IonicContact NE-OE2 3.39Å; R243-E277 IonicContact NH2-OE1 3.5Å; R243-E277 IonicContact NH2-OE2 3.64Å; R243-E277 PolarHBondContact NH2-OE2 3.26Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.43Å; P274-E277 PolarHBondContact O-N 3.49Å; E277-Q279 PolarHBondContact O-N 2.75Å; E277-R280 WeakPolarHBondContact O-CB 3.3Å; E277-R280 PolarHBondContact O-N 3.02Å; E277-R280 IonicContact OE1-NH1 3.73Å; E277-R280 IonicContact OE2-CZ 3.48Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.69Å; E277-R280 PolarHBondContact OE2-NH1 3.24Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.26Å
278	E	95	Very high	96.5	Very high	20 Å²	20	36.1 Å²	36.1	9%	0.093	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.3	-32.7	-170.9	-57.1	81	-177.8	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.71Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å; G276-E278 WeakPolarHBondContact CA-OE2 2.98Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.88Å; G276-E278 PolarHBondContact N-OE2 3.4Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.39Å; E278-Y281 PolarHBondContact O-N 2.91Å; E278-W298 HydrophobicContact CB-CD2 4.41Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	95.3	Very high	96.3	Very high	92 Å²	92	35.9 Å²	35.9	43%	0.43	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-72.4	-16.1	-179.3	-63	-57	-46.1	0	0	114	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 2.75Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-R297 PolarHBondContact O-NE 3.18Å; Q279-W298 PolarHBondContact NE2-O 3.2Å
280	R	96.7	Very high	96.2	Very high	101 Å²	101	37 Å²	37	38%	0.381	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-76.5	-17	172.9	-63.5	173.6	67.2	179.1	5.1	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.44Å; R243-R280 HydrophobicContact CG-CB 4.37Å; D244-R280 PolarHBondContact N-O 3.11Å; D244-R280 IonicContact OD1-NE 3.45Å; D244-R280 PolarHBondContact OD1-NE 3.18Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 3.26Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3.18Å; E277-R280 WeakPolarHBondContact O-CB 3.3Å; E277-R280 PolarHBondContact O-N 3.02Å; E277-R280 IonicContact OE1-NH1 3.73Å; E277-R280 IonicContact OE2-CZ 3.48Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.69Å; E277-R280 PolarHBondContact OE2-NH1 3.24Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.39Å
281	Y	97.6	Very high	95.9	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.9	-177.5	-69.5	-100.3	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.09Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 WeakPolarHBondContact CD-OH 3.37Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å; V271-Y281 HydrophobicContact CG1-CD1 4.02Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.04Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.26Å; E278-Y281 PolarHBondContact O-N 2.91Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	98	Very high	95.8	Very high	12 Å²	12	50.3 Å²	50.3	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.2	175.9	47.5	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.39Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.28Å; Q242-T282 PolarHBondContact O-N 2.88Å; T282-H284 PolarHBondContact OG1-NE2 3.29Å; T282-T295 HydrophobicContact CG2-CG2 3.93Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.08Å; T282-R297 HydrophobicContact CG2-CG 3.64Å
283	C	98.2	Very high	95.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.4	169.9	174.8	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.06Å; T240-C283 CarbonylContact O-C 3.58Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.44Å; C283-T295 WeakPolarHBondContact O-CA 3.29Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 2.85Å; C283-L296 PolarHBondContact O-N 3.36Å
284	H	97.9	Very high	95.7	Very high	37 Å²	37	53 Å²	53	17%	0.171	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.5	177	-65.2	-110	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.14Å; T240-H284 PolarHBondContact N-O 3.34Å; T240-H284 PolarHBondContact O-N 2.85Å; T240-H284 WeakPolarHBondContact OG1-CB 3.1Å; Q242-H284 PolarHBondContact OE1-NE2 3.09Å; T282-H284 PolarHBondContact OG1-NE2 3.29Å; H284-L294 WeakPolarHBondContact CA-O 3.4Å; H284-T295 PolarHBondContact CE1-OG1 3.48Å; H284-T295 PolarHBondContact ND1-OG1 2.91Å
285	V	98.1	Very high	95.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123	-178.1	-174.1	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4Å; I237-V285 HydrophobicContact CD1-CG1 4.02Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; T238-V285 WeakPolarHBondContact O-CA 3.44Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.49Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.85Å; V285-L294 PolarHBondContact O-N 3.01Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å
286	Q	97.7	Very high	96	Very high	73 Å²	73	53.4 Å²	53.4	34%	0.341	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.4	174.2	-53.2	179.9	12.8	0	0	109.4	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; T238-Q286 PolarHBondContact N-O 2.83Å; T238-Q286 PolarHBondContact O-N 3.03Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.15Å
287	H	96.3	Very high	96.2	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.056	29%	0.287	C	S	.	.			trans	-159.5	148.4	-177.3	-174.6	-98.7	0	0	0	109.6	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.19Å; P234-H287 PolarHBondContact O-NE2 2.95Å; E236-H287 PolarHBondContact O-CD2 2.77Å; I237-H287 HydrophobicContact CD1-CB 4.35Å; I237-H287 HydrophobicContact CG1-CB 4.1Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.27Å; H287-G289 PolarHBondContact O-N 2.88Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.36Å; H287-L290 PolarHBondContact O-N 2.81Å
288	E	93.3	Very high	96.2	Very high	78 Å²	78	56.9 Å²	56.9	36%	0.364	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-38.7	-179.7	-155.9	-173.3	150.7	0	0	113.2	W23 A206 P234 L290	W23-E288 HydrophobicContact CE3-CB 3.81Å; W23-E288 HydrophobicContact CE3-CG 4.45Å; W23-E288 HydrophobicContact CZ3-CB 4.29Å; A206-E288 HydrophobicContact CB-CB 4.22Å; A206-E288 HydrophobicContact CB-CG 4.45Å; P234-E288 WeakPolarHBondContact CG-OE2 3.41Å; E288-L290 PolarHBondContact O-N 3.27Å
289	G	93.6	Very high	95.9	Very high	21 Å²	21	63.9 Å²	63.9	22%	0.216	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.3	-178.3	0	0	0	0	0	113.5	H287	H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.27Å; H287-G289 PolarHBondContact O-N 2.88Å
290	L	95.4	Very high	95.3	Very high	25 Å²	25	63.4 Å²	63.4	13%	0.131	32%	0.321	C	S	.	.			trans	-95.5	124.5	179.6	-65.6	172	0	0	0	110.7	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.45Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.36Å; H287-L290 PolarHBondContact O-N 2.81Å; E288-L290 PolarHBondContact O-N 3.27Å; L290-K292 PolarHBondContact O-N 3.45Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.95Å
291	P	93.4	Very high	93.7	Very high	133 Å²	133	63.4 Å²	63.4	86%	0.864	34%	0.337	S	S	*	.	S	Bend	trans	-66.6	-20.9	177.1	28	-35.4	0	0	0	112.9
292	K	93.8	Very high	91.3	Very high	151 Å²	151	68.4 Å²	68.4	66%	0.657	37%	0.372	S	S	*	.	S	Bend	trans	-150.6	150	172.2	60.2	-179.9	179.5	177.7	0	109.1	L290	L290-K292 PolarHBondContact O-N 3.45Å
293	P	96	Very high	88.8	Confident	73 Å²	73	75.8 Å²	75.8	47%	0.474	41%	0.406	S	S	.	.			trans	-52.1	142.3	173	-27.8	36.1	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.49Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.15Å
294	L	97	Very high	86	Confident	55 Å²	55	80 Å²	80	29%	0.288	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.3	174.4	-63	178.4	0	0	0	110.1	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.29Å; H284-L294 WeakPolarHBondContact CA-O 3.4Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.85Å; V285-L294 PolarHBondContact O-N 3.01Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.95Å; L294-L296 HydrophobicContact CB-CD1 4.12Å
295	T	97.8	Very high	83.6	Confident	84 Å²	84	84.2 Å²	84.2	52%	0.515	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	116.8	170.8	-58.1	0	0	0	0	108.1	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.93Å; C283-T295 CarbonylContact O-C 3.44Å; C283-T295 WeakPolarHBondContact O-CA 3.29Å; H284-T295 PolarHBondContact CE1-OG1 3.48Å; H284-T295 PolarHBondContact ND1-OG1 2.91Å
296	L	97.1	Very high	81.4	Confident	27 Å²	27	87.8 Å²	87.8	14%	0.141	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.7	-178.8	-61.5	101.6	0	0	0	110.6	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.41Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.28Å; V213-L296 HydrophobicContact CG2-CB 3.79Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.08Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 2.85Å; C283-L296 PolarHBondContact O-N 3.36Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å; L294-L296 HydrophobicContact CB-CD1 4.12Å
297	R	96.2	Very high	79.2	Confident	146 Å²	146	88.2 Å²	88.2	55%	0.551	50%	0.495	S	S	*	.			trans	-116.1	162.5	164.1	-71.6	-174	176	138.7	1.6	109	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.18Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; R297-E299 PolarHBondContact O-N 3.33Å
298	W	95.8	Very high	77.5	Confident	47 Å²	47	93.5 Å²	93.5	18%	0.178	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-68.9	120.3	166.8	171	57.3	0	0	0	109.9	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.14Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact CG-NE1 3.98Å; H215-W298 AromaticContact ND1-CZ2 3.95Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.97Å; E278-W298 HydrophobicContact CB-CD2 4.41Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 3.2Å; W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.24Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.1Å
299	E	89.6	Confident	75.8	Confident	168 Å²	168	95.6 Å²	95.6	79%	0.785	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-98.2	119	168.4	-70.5	-178.1	175.1	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 3.33Å; E299-S301 PolarHBondContact O-N 3.49Å
300	P	81.7	Confident	74.4	Confident	81 Å²	81	96.7 Å²	96.7	53%	0.526	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-57.2	118.8	170.6	-18.4	29.2	0	0	0	107.3	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.24Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.1Å; P300-S302 PolarHBondContact O-N 3.06Å
301	S	62.8	Low	73.2	Confident	102 Å²	102	100.1 Å²	100.1	71%	0.713	57%	0.569	S	S	*	*			trans	-51.8	113.4	178.6	45.2	0	0	0	0	108.3	E299 Q303	E299-S301 PolarHBondContact O-N 3.49Å; S301-Q303 PolarHBondContact O-N 3.24Å
302	S	47.4	Very low	72.3	Confident	111 Å²	111	98 Å²	98	78%	0.776	55%	0.554	S	S	*	*			trans	-67.8	79.8	162.4	61.3	0	0	0	0	105.9	P300 S304	P300-S302 PolarHBondContact O-N 3.06Å; S302-S304 PolarHBondContact O-N 3.46Å
303	Q	45	Very low	71.3	Confident	167 Å²	167	93.4 Å²	93.4	78%	0.78	54%	0.543	S	S	*	.			trans	-57.3	92.1	146	-81.8	-172.9	-8.4	0	0	103.6	S301 T305	S301-Q303 PolarHBondContact O-N 3.24Å; Q303-T305 PolarHBondContact O-N 3.3Å
304	S	41.2	Very low	70.5	Confident	90 Å²	90	91.6 Å²	91.6	63%	0.629	54%	0.538	S	S	*	.			trans	-57.7	97.2	164.8	-175	0	0	0	0	103.4	S302 V306	S302-S304 PolarHBondContact O-N 3.46Å; S304-V306 PolarHBondContact O-N 2.82Å; S304-V306 WeakPolarHBondContact OG-CG2 3.38Å
305	T	46.4	Very low	69.9	Low	125 Å²	125	94.3 Å²	94.3	77%	0.767	55%	0.552	S	S	*	*			trans	-65	68.7	157	-39.9	0	0	0	0	104.8	Q303 P307	Q303-T305 PolarHBondContact O-N 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.31Å
306	V	51.5	Low	69.2	Low	74 Å²	74	92.9 Å²	92.9	45%	0.448	55%	0.549	S	S	.	.			trans	-48.2	119.7	154	179.6	0	0	0	0	102.5	S304 I308 I311	S304-V306 PolarHBondContact O-N 2.82Å; S304-V306 WeakPolarHBondContact OG-CG2 3.38Å; V306-I308 PolarHBondContact O-N 3.46Å; V306-I311 HydrophobicContact CG1-CD1 4.1Å
307	P	53	Low	68.5	Low	82 Å²	82	96.2 Å²	96.2	53%	0.532	57%	0.57	S	S	.	*			trans	-71.2	85.3	-173	28.4	-32.2	0	0	0	106.4	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.31Å; P307-V309 PolarHBondContact O-N 2.96Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 2.89Å; P307-I311 PolarHBondContact O-N 2.92Å
308	I	58.8	Low	68	Low	123 Å²	123	94.5 Å²	94.5	63%	0.631	57%	0.572	S	S	*	*	H	α-helix	trans	-53.8	-33.7	174	-66.9	169.2	0	0	0	107.9	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 3.46Å; I308-G310 PolarHBondContact O-N 2.89Å; I308-I311 PolarHBondContact O-N 3.4Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.4Å; I308-V312 PolarHBondContact O-N 2.9Å
309	V	57.7	Low	67.4	Low	122 Å²	122	94.6 Å²	94.6	74%	0.739	58%	0.582	S	S	*	*	H	α-helix	trans	-59	-40.7	171.6	-176.9	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 2.96Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.45Å
310	G	63.9	Low	67.3	Low	44 Å²	44	91.6 Å²	91.6	45%	0.454	58%	0.576	S	S	.	*	H	α-helix	trans	-69.6	-38.5	178.9	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 2.89Å; I308-G310 PolarHBondContact O-N 2.89Å; G310-G314 PolarHBondContact O-N 3.14Å
311	I	71.5	Confident	67.5	Low	98 Å²	98	92.2 Å²	92.2	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-69.6	-43.6	176.2	-61.3	174.4	0	0	0	110.4	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 4.1Å; P307-I311 PolarHBondContact O-N 2.92Å; I308-I311 PolarHBondContact O-N 3.4Å; I311-G314 PolarHBondContact O-N 3.34Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.13Å; I311-L315 PolarHBondContact O-N 2.74Å
312	V	73.4	Confident	68.5	Low	89 Å²	89	91.1 Å²	91.1	54%	0.539	57%	0.566	S	S	.	*	H	α-helix	trans	-65.8	-43.1	178.2	172.9	0	0	0	0	111.4	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.4Å; I308-V312 PolarHBondContact O-N 2.9Å; V312-L315 PolarHBondContact O-N 3.36Å; V312-A316 WeakPolarHBondContact O-CB 3.32Å; V312-A316 PolarHBondContact O-N 3.1Å
313	A	74.1	Confident	70.3	Confident	53 Å²	53	91 Å²	91	44%	0.438	56%	0.556	S	S	.	*	H	α-helix	trans	-63.3	-43	175.1	0	0	0	0	0	111.7	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.45Å; A313-A316 PolarHBondContact O-N 2.84Å; A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.18Å; A313-V317 PolarHBondContact O-N 2.83Å
314	G	79.5	Confident	72.1	Confident	36 Å²	36	85.1 Å²	85.1	37%	0.371	54%	0.54	S	S	.	.	H	α-helix	trans	-60.5	-45.1	176.2	0	0	0	0	0	112.8	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.14Å; I311-G314 PolarHBondContact O-N 3.34Å; G314-V317 PolarHBondContact O-N 2.85Å; G314-L318 WeakPolarHBondContact O-CB 3.45Å; G314-L318 PolarHBondContact O-N 2.92Å
315	L	83.8	Confident	74	Confident	111 Å²	111	83.7 Å²	83.7	58%	0.581	53%	0.533	S	S	*	.	H	α-helix	trans	-66.4	-38.8	177.2	-73	171.3	0	0	0	112.6	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.13Å; I311-L315 PolarHBondContact O-N 2.74Å; V312-L315 PolarHBondContact O-N 3.36Å; L315-L318 PolarHBondContact O-N 3.27Å; L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 2.83Å
316	A	82.3	Confident	75.7	Confident	55 Å²	55	81.7 Å²	81.7	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-43.4	176.6	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.32Å; V312-A316 PolarHBondContact O-N 3.1Å; A313-A316 PolarHBondContact O-N 2.84Å; A316-A319 PolarHBondContact O-N 3.06Å; A316-V320 WeakPolarHBondContact O-CG2 3.1Å; A316-V320 PolarHBondContact O-N 3.15Å; A316-V320 VanDerWaalsContact O-N 3.08Å
317	V	83.9	Confident	77.2	Confident	96 Å²	96	82 Å²	82	58%	0.582	52%	0.523	S	S	*	.	H	α-helix	trans	-63.7	-44.2	176.2	174	0	0	0	0	110.9	A313 G314 A319 V320 V321	A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.18Å; A313-V317 PolarHBondContact O-N 2.83Å; G314-V317 PolarHBondContact O-N 2.85Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.33Å; V317-V320 PolarHBondContact O-N 3.21Å; V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.33Å; V317-V321 PolarHBondContact O-N 2.89Å
318	L	85.1	Confident	78.3	Confident	110 Å²	110	80.6 Å²	80.6	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-59.3	-44	176.2	-110.5	153.7	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.45Å; G314-L318 PolarHBondContact O-N 2.92Å; L315-L318 PolarHBondContact O-N 3.27Å; L318-V320 PolarHBondContact O-N 3.27Å; L318-V321 PolarHBondContact O-N 3.25Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 2.97Å
319	A	83.9	Confident	79.1	Confident	49 Å²	49	77.3 Å²	77.3	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-61.4	-43.5	177.2	0	0	0	0	0	112	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 2.83Å; A316-A319 PolarHBondContact O-N 3.06Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.33Å; A319-V322 PolarHBondContact O-N 2.92Å; A319-I323 WeakPolarHBondContact O-CB 3.13Å; A319-I323 WeakPolarHBondContact O-CD1 3.5Å; A319-I323 WeakPolarHBondContact O-CG1 3.42Å; A319-I323 PolarHBondContact O-N 3.04Å
320	V	85.8	Confident	79.9	Confident	106 Å²	106	75.5 Å²	75.5	64%	0.642	50%	0.498	S	S	*	.	H	α-helix	trans	-63.4	-42.6	177.2	173.4	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.1Å; A316-V320 PolarHBondContact O-N 3.15Å; A316-V320 VanDerWaalsContact O-N 3.08Å; V317-V320 PolarHBondContact O-N 3.21Å; L318-V320 PolarHBondContact O-N 3.27Å; V320-I323 PolarHBondContact O-N 2.98Å; V320-G324 PolarHBondContact O-N 3.19Å
321	V	86.4	Confident	80.3	Confident	93 Å²	93	79.6 Å²	79.6	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-63.5	-44.1	177.8	172.3	0	0	0	0	111.2	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.33Å; V317-V321 PolarHBondContact O-N 2.89Å; L318-V321 PolarHBondContact O-N 3.25Å; V321-G324 PolarHBondContact O-N 3.4Å; V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 3.1Å
322	V	84.6	Confident	80.1	Confident	79 Å²	79	79.2 Å²	79.2	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-45.1	178.5	172.5	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 2.97Å; A319-V322 PolarHBondContact O-N 2.92Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.05Å; V322-A325 PolarHBondContact O-N 2.98Å; V322-V326 HydrophobicContact CG1-CG2 4.44Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.36Å; V322-V326 PolarHBondContact O-N 3.05Å
323	I	83.9	Confident	79.7	Confident	110 Å²	110	84.5 Å²	84.5	56%	0.564	52%	0.522	S	S	*	.	H	α-helix	trans	-61.2	-44.9	176.6	-67.4	165.1	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.13Å; A319-I323 WeakPolarHBondContact O-CD1 3.5Å; A319-I323 WeakPolarHBondContact O-CG1 3.42Å; A319-I323 PolarHBondContact O-N 3.04Å; V320-I323 PolarHBondContact O-N 2.98Å; I323-A325 PolarHBondContact O-N 3.37Å; I323-V326 PolarHBondContact O-N 2.95Å; I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3Å
324	G	83.2	Confident	78.9	Confident	43 Å²	43	91.8 Å²	91.8	44%	0.443	54%	0.539	S	S	.	.	H	α-helix	trans	-59	-44.4	176.1	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.19Å; V321-G324 PolarHBondContact O-N 3.4Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.05Å; G324-V327 PolarHBondContact O-N 3.48Å; G324-A328 WeakPolarHBondContact O-CB 3.39Å; G324-A328 PolarHBondContact O-N 2.71Å
325	A	81.8	Confident	77.6	Confident	59 Å²	59	99.1 Å²	99.1	49%	0.488	56%	0.56	S	S	.	*	H	α-helix	trans	-64.8	-41.1	177.6	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 3.1Å; V322-A325 PolarHBondContact O-N 2.98Å; I323-A325 PolarHBondContact O-N 3.37Å; A325-A328 PolarHBondContact O-N 3.03Å; A325-A329 WeakPolarHBondContact O-CB 3.22Å; A325-A329 PolarHBondContact O-N 2.99Å
326	V	82.8	Confident	76.1	Confident	84 Å²	84	98.2 Å²	98.2	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-64.9	-45.1	176.6	171.9	0	0	0	0	110.8	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.44Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.36Å; V322-V326 PolarHBondContact O-N 3.05Å; I323-V326 PolarHBondContact O-N 2.95Å; V326-A328 PolarHBondContact O-N 2.77Å; V326-A329 PolarHBondContact O-N 3.16Å; V326-V330 HydrophobicContact CG1-CG2 4.39Å; V326-V330 WeakPolarHBondContact O-CB 3.32Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.41Å; V326-V330 PolarHBondContact O-N 3.18Å
327	V	81.2	Confident	74.6	Confident	80 Å²	80	100.3 Å²	100.3	49%	0.485	57%	0.574	S	S	.	*	H	α-helix	trans	-61.8	-44.9	177.2	172.4	0	0	0	0	110.8	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3Å; G324-V327 PolarHBondContact O-N 3.48Å; V327-A329 PolarHBondContact O-N 3.24Å; V327-V330 PolarHBondContact O-N 3.01Å; V327-M331 HydrophobicContact CG1-SD 4.23Å; V327-M331 WeakPolarHBondContact O-CB 3.49Å; V327-M331 WeakPolarHBondContact O-CG 3.27Å; V327-M331 PolarHBondContact O-N 3.41Å
328	A	76.3	Confident	72.8	Confident	53 Å²	53	99.2 Å²	99.2	44%	0.438	58%	0.582	S	S	.	*	H	α-helix	trans	-61	-44.3	176.2	0	0	0	0	0	112.1	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.39Å; G324-A328 PolarHBondContact O-N 2.71Å; A325-A328 PolarHBondContact O-N 3.03Å; V326-A328 PolarHBondContact O-N 2.77Å; A328-M331 PolarHBondContact O-N 3.34Å; A328-C332 WeakPolarHBondContact O-CB 3.22Å; A328-C332 PolarHBondContact O-N 2.7Å
329	A	75.9	Confident	70.6	Confident	54 Å²	54	97.1 Å²	97.1	45%	0.446	59%	0.588	S	S	.	*	H	α-helix	trans	-63.8	-40.9	177.2	0	0	0	0	0	112.5	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.22Å; A325-A329 PolarHBondContact O-N 2.99Å; V326-A329 PolarHBondContact O-N 3.16Å; V327-A329 PolarHBondContact O-N 3.24Å; A329-C332 PolarHBondContact O-N 2.66Å; A329-R333 WeakPolarHBondContact O-CB 3.34Å; A329-R333 PolarHBondContact O-N 3.09Å
330	V	75.1	Confident	68.3	Low	83 Å²	83	105.4 Å²	105.4	50%	0.503	62%	0.615	S	S	.	*	H	α-helix	trans	-66.1	-41	176	170.7	0	0	0	0	111	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.39Å; V326-V330 WeakPolarHBondContact O-CB 3.32Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.41Å; V326-V330 PolarHBondContact O-N 3.18Å; V327-V330 PolarHBondContact O-N 3.01Å; V330-R333 PolarHBondContact O-N 3.39Å; V330-R334 WeakPolarHBondContact O-CB 3.27Å; V330-R334 PolarHBondContact O-N 2.72Å
331	M	73.1	Confident	65.9	Low	131 Å²	131	103.9 Å²	103.9	65%	0.645	62%	0.62	S	S	*	*	H	α-helix	trans	-65.7	-41.2	175.4	-73.7	-174.6	68	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-SD 4.23Å; V327-M331 WeakPolarHBondContact O-CB 3.49Å; V327-M331 WeakPolarHBondContact O-CG 3.27Å; V327-M331 PolarHBondContact O-N 3.41Å; A328-M331 PolarHBondContact O-N 3.34Å; M331-R334 PolarHBondContact O-N 2.73Å; M331-K335 WeakPolarHBondContact O-CB 3.43Å; M331-K335 PolarHBondContact O-N 3.27Å
332	C	67.2	Low	63.4	Low	89 Å²	89	103.3 Å²	103.3	60%	0.601	63%	0.633	S	S	*	*	H	α-helix	trans	-61.3	-43.4	172.8	-79.5	0	0	0	0	111.7	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.22Å; A328-C332 PolarHBondContact O-N 2.7Å; A329-C332 PolarHBondContact O-N 2.66Å; C332-K335 PolarHBondContact O-N 2.64Å; C332-S336 PolarHBondContact O-N 2.72Å; C332-S336 VanDerWaalsContact O-N 3.11Å; C332-S336 PolarHBondContact O-OG 2.91Å
333	R	64.4	Low	60.9	Low	200 Å²	200	105.5 Å²	105.5	76%	0.755	65%	0.652	S	S	*	*	H	α-helix	trans	-65.9	-37	176.4	-80.7	-171.4	167.1	-175.4	-2.2	113.3	A329 V330 K335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.34Å; A329-R333 PolarHBondContact O-N 3.09Å; V330-R333 PolarHBondContact O-N 3.39Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3Å; R333-S336 WeakPolarHBondContact CA-OG 3.33Å; R333-S336 PolarHBondContact O-N 3.38Å; R333-S336 PolarHBondContact O-OG 3.28Å; R333-S337 PolarHBondContact O-N 3.17Å
334	R	57.4	Low	58.5	Low	206 Å²	206	109.8 Å²	109.8	78%	0.777	66%	0.663	S	S	*	*	H	α-helix	trans	-67.7	-29.1	173.5	-106.8	-176.1	171.8	179.2	-1.6	112.9	V330 M331 S337	V330-R334 WeakPolarHBondContact O-CB 3.27Å; V330-R334 PolarHBondContact O-N 2.72Å; M331-R334 PolarHBondContact O-N 2.73Å; R334-S337 PolarHBondContact O-OG 2.65Å
335	K	52.7	Low	56.2	Low	191 Å²	191	113.9 Å²	113.9	83%	0.83	68%	0.684	S	S	*	*	H	α-helix	trans	-79.7	-24.3	177	-160.7	170.4	-178.9	178.9	0	112.8	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.43Å; M331-K335 PolarHBondContact O-N 3.27Å; C332-K335 PolarHBondContact O-N 2.64Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3Å
336	S	52.3	Low	54.1	Low	92 Å²	92	119.4 Å²	119.4	64%	0.643	70%	0.7	S	S	*	*	H	α-helix	trans	-88.8	-10.8	176.4	55.4	0	0	0	0	115	C332 R333 G338	C332-S336 PolarHBondContact O-N 2.72Å; C332-S336 VanDerWaalsContact O-N 3.11Å; C332-S336 PolarHBondContact O-OG 2.91Å; R333-S336 WeakPolarHBondContact CA-OG 3.33Å; R333-S336 PolarHBondContact O-N 3.38Å; R333-S336 PolarHBondContact O-OG 3.28Å; S336-G338 VanDerWaalsContact C-N 3.34Å; S336-G338 PolarHBondContact O-N 3.32Å
337	S	50.1	Low	51.7	Low	98 Å²	98	119.8 Å²	119.8	69%	0.685	71%	0.713	S	S	*	*	S	Bend	trans	-93.3	18.6	-179.3	70.8	0	0	0	0	114.4	R333 R334	R333-S337 PolarHBondContact O-N 3.17Å; R334-S337 PolarHBondContact O-OG 2.65Å
338	G	45.5	Very low	49.5	Very low	73 Å²	73	120.7 Å²	120.7	75%	0.753	73%	0.728	S	S	*	*	S	Bend	trans	-116.1	71.6	175.6	0	0	0	0	0	112.2	S336	S336-G338 VanDerWaalsContact C-N 3.34Å; S336-G338 PolarHBondContact O-N 3.32Å
339	G	40.2	Very low	47.4	Very low	67 Å²	67	123.4 Å²	123.4	69%	0.691	74%	0.743	S	S	*	*			trans	156.9	113.6	162.6	0	0	0	0	0	117.8
340	K	35.1	Very low	45.4	Very low	222 Å²	222	126.6 Å²	126.6	97%	0.965	76%	0.762	S	S	*	*			trans	66.7	138.5	154.9	-72.2	166.7	172.6	172.6	0	117
341	G	35.3	Very low	43.6	Very low	74 Å²	74	129.7 Å²	129.7	76%	0.763	78%	0.775	S	S	*	*			cis	131.7	111.3	17.8	0	0	0	0	0	108.8
342	G	33.3	Very low	42.2	Very low	81 Å²	81	129.5 Å²	129.5	84%	0.835	79%	0.787	S	S	*	*			trans	20.9	135.6	164.8	0	0	0	0	0	123.4
343	S	31.5	Very low	40.8	Very low	125 Å²	125	129.8 Å²	129.8	87%	0.874	80%	0.796	S	S	*	*				175.7	149.7	110.3	-170.5	0	0	0	0	112.4
344	Y	35.1	Very low	39.7	Very low	200 Å²	200	130 Å²	130	78%	0.784	81%	0.806	S	S	*	*			trans	-58.8	152.8	179	-92.9	-109.8	0	0	0	115.7
345	S	34.9	Very low	38.6	Very low	129 Å²	129	123.3 Å²	123.3	90%	0.902	80%	0.801	S	S	*	*			trans	-156.4	131.5	135.6	-58.9	0	0	0	0	110.4
346	Q	36.1	Very low	38	Very low	175 Å²	175	119.2 Å²	119.2	82%	0.818	80%	0.796	S	S	*	*			trans	-113.4	136.7	-178.4	177.4	-179.3	2.4	0	0	109.3
347	A	33.8	Very low	37.4	Very low	93 Å²	93	122 Å²	122	77%	0.769	80%	0.804	S	S	*	*			trans	-169.1	105.1	152.6	0	0	0	0	0	106.7
348	A	33.3	Very low	37	Very low	98 Å²	98	122.7 Å²	122.7	81%	0.81	80%	0.804	S	S	*	*				53.7	133.8	85.1	0	0	0	0	0	113.3
349	C	32.2	Very low	36.8	Very low	111 Å²	111	123.7 Å²	123.7	75%	0.75	80%	0.799	S	S	*	*			cis	-178.5	136.9	-12	-174.6	0	0	0	0	104.4
350	S	34.8	Very low	36.8	Very low	121 Å²	121	128 Å²	128	85%	0.846	81%	0.805	S	S	*	*			trans	-172.3	138.2	140	6.3	0	0	0	0	112.5
351	D	36.9	Very low	37	Very low	147 Å²	147	123.3 Å²	123.3	79%	0.786	80%	0.796	S	S	*	*			trans	-62.5	156.8	-175.3	-64.6	-59.5	0	0	0	115.9
352	S	43.2	Very low	37.4	Very low	127 Å²	127	128.1 Å²	128.1	89%	0.888	83%	0.828	S	S	*	*				-166.7	129.1	126.2	-73.8	0	0	0	0	110.3
353	A	38.2	Very low	37.6	Very low	96 Å²	96	130.5 Å²	130.5	79%	0.793	83%	0.828	S	S	*	*			trans	-85.1	148.9	-175.4	0	0	0	0	0	113.5
354	Q	42.1	Very low	37.9	Very low	204 Å²	204	130.7 Å²	130.7	95%	0.953	83%	0.825	S	S	*	*			trans	160	129.6	147.2	-98.6	174.3	-9.5	0	0	107
355	G	34.5	Very low	38.1	Very low	66 Å²	66	126.9 Å²	126.9	68%	0.68	83%	0.828	S	S	*	*			cis	167.9	135	4	0	0	0	0	0	106.2
356	S	40.5	Very low	38.3	Very low	104 Å²	104	126.8 Å²	126.8	73%	0.727	82%	0.823	S	S	*	*			trans	50.3	111.7	147.3	-53.6	0	0	0	0	118.9
357	D	39.8	Very low	38.4	Very low	150 Å²	150	123.8 Å²	123.8	80%	0.802	82%	0.823	S	S	*	*				79	138.5	93.9	-74.7	-28.5	0	0	0	111.7
358	V	40	Very low	38.7	Very low	114 Å²	114	125.8 Å²	125.8	69%	0.691	83%	0.827	S	S	*	*			cis	-174.9	153.7	21.4	118	0	0	0	0	109.5
359	S	42.5	Very low	39.1	Very low	94 Å²	94	127.8 Å²	127.8	66%	0.657	83%	0.828	S	S	*	*			trans	59.5	127.3	152.5	63	0	0	0	0	121.3
360	L	40.8	Very low	39.7	Very low	156 Å²	156	129.1 Å²	129.1	82%	0.817	83%	0.834	S	S	*	*				43.9	124.5	76.5	-78.3	158.8	0	0	0	111.6
361	T	38.2	Very low	40.1	Very low	125 Å²	125	129.8 Å²	129.8	77%	0.767	83%	0.833	S	S	*	*				179.5	161.1	60.2	-17.4	0	0	0	0	108.8
362	A	44.2	Very low	40.4	Very low	174 Å²	174	128.2 Å²	128.2	100%	1.438	84%	0.838	S	S	*	*			trans	68.2	0	151	0	0	0	0	0	119.5

Retrieved 362 of 362 residues in 1427.5 ms (Link to these results)

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