A0A060DAG7_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060DAG7, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 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	33.3	Very low	40.5	Very low	241 Å²	241	139.7 Å²	139.7	100%	1.187	73%	0.726	S	S	*	*				0	103.2	0	-72.5	166.9	-179.7	0	0	107.9
2	R	32	Very low	40.8	Very low	246 Å²	246	139.6 Å²	139.6	93%	0.928	73%	0.726	S	S	*	*			trans	-99.4	109.3	169.9	-91.1	-178.8	175.3	164.9	-1.6	106.2	T4	R2-T4 PolarHBondContact O-N 3.38Å
3	V	34.8	Very low	40.5	Very low	142 Å²	142	136.7 Å²	136.7	86%	0.861	71%	0.711	S	S	*	*			trans	-77.2	103.2	172.9	179.8	0	0	0	0	106.5	A5	V3-A5 PolarHBondContact O-N 3.24Å
4	T	40.9	Very low	40	Very low	128 Å²	128	140.5 Å²	140.5	79%	0.785	71%	0.711	S	S	*	*			trans	-76.2	107.3	167.5	40.1	0	0	0	0	108	R2	R2-T4 PolarHBondContact O-N 3.38Å
5	A	39.3	Very low	40	Very low	71 Å²	71	133.7 Å²	133.7	59%	0.587	69%	0.691	S	S	*	*			trans	-63.9	144.9	168.2	0	0	0	0	0	109.8	V3 R7	V3-A5 PolarHBondContact O-N 3.24Å; A5-R7 PolarHBondContact O-N 3.44Å
6	P	42.9	Very low	40	Very low	79 Å²	79	129 Å²	129	51%	0.513	68%	0.678	S	S	.	*			trans	-68.2	132.2	-177.5	4.1	7.4	0	0	0	110.1	T8 V9	P6-T8 PolarHBondContact O-N 2.99Å; P6-V9 HydrophobicContact CG-CG2 4.13Å; P6-V9 PolarHBondContact O-N 2.96Å
7	R	44.2	Very low	40	Very low	224 Å²	224	126.1 Å²	126.1	85%	0.845	67%	0.666	S	S	*	*	H	α-helix	trans	-51.3	-22	179.5	-103.6	175.6	159.1	136	-5.9	114.5	A5	A5-R7 PolarHBondContact O-N 3.44Å
8	T	46.9	Very low	39.8	Very low	99 Å²	99	122.3 Å²	122.3	61%	0.607	66%	0.656	S	S	*	*	H	α-helix	trans	-73	-33.4	176.9	32.1	0	0	0	0	113.8	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 2.99Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L11 PolarHBondContact O-N 3.43Å; T8-L12 PolarHBondContact O-N 2.67Å
9	V	45.2	Very low	39.8	Very low	77 Å²	77	120.8 Å²	120.8	47%	0.467	65%	0.647	S	S	.	*	H	α-helix	trans	-72	-31.7	177.4	179	0	0	0	0	111	P6 L13	P6-V9 HydrophobicContact CG-CG2 4.13Å; P6-V9 PolarHBondContact O-N 2.96Å; V9-L13 HydrophobicContact CG1-CD1 4.18Å; V9-L13 PolarHBondContact O-N 2.62Å
10	L	40.3	Very low	39.7	Very low	102 Å²	102	119.4 Å²	119.4	53%	0.534	64%	0.643	S	S	.	*	H	α-helix	trans	-69.2	-34.5	178.1	-135.2	87.3	0	0	0	112.5	T8 W14	T8-L10 VanDerWaalsContact C-N 3.33Å; L10-W14 PolarHBondContact O-N 2.8Å; L10-W14 VanDerWaalsContact O-N 3.17Å
11	L	45.3	Very low	39.7	Very low	128 Å²	128	121.3 Å²	121.3	67%	0.67	65%	0.648	S	S	*	*	H	α-helix	trans	-74.2	-36.6	-179.4	-75.3	164.7	0	0	0	112.9	T8 W14 G15	T8-L11 PolarHBondContact O-N 3.43Å; L11-W14 PolarHBondContact O-N 3.47Å; L11-G15 PolarHBondContact O-N 3.17Å
12	L	44.8	Very low	40.3	Very low	138 Å²	138	114 Å²	114	72%	0.723	62%	0.617	S	S	*	*	H	α-helix	trans	-67.5	-36.4	175	-74.3	166.9	0	0	0	112.1	T8 G15 A16	T8-L12 PolarHBondContact O-N 2.67Å; L12-G15 PolarHBondContact O-N 3.34Å; L12-A16 PolarHBondContact O-N 3.01Å; L12-A16 VanDerWaalsContact O-N 3.09Å
13	L	36.8	Very low	41.1	Very low	102 Å²	102	104.4 Å²	104.4	53%	0.534	58%	0.581	S	S	.	*	H	α-helix	trans	-68.3	-34.5	174.1	-75.5	164.7	0	0	0	112	V9 V17	V9-L13 HydrophobicContact CG1-CD1 4.18Å; V9-L13 PolarHBondContact O-N 2.62Å; L13-V17 VanDerWaalsContact O-CB 3.28Å; L13-V17 WeakPolarHBondContact O-CB 3.49Å; L13-V17 WeakPolarHBondContact O-CG2 3.38Å; L13-V17 PolarHBondContact O-N 2.7Å
14	W	33.5	Very low	42.1	Very low	190 Å²	190	101 Å²	101	72%	0.72	57%	0.568	S	S	*	*	H	α-helix	trans	-74.5	-34.2	176.4	-78.4	46.1	0	0	0	112.5	L10 L11 A18	L10-W14 PolarHBondContact O-N 2.8Å; L10-W14 VanDerWaalsContact O-N 3.17Å; L11-W14 PolarHBondContact O-N 3.47Å; W14-A18 WeakPolarHBondContact O-CB 3.24Å; W14-A18 PolarHBondContact O-N 3.49Å
15	G	39.3	Very low	43.7	Very low	39 Å²	39	96.1 Å²	96.1	40%	0.402	54%	0.543	S	S	.	.	H	α-helix	trans	-64.6	-42.2	172.2	0	0	0	0	0	112.7	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.17Å; L12-G15 PolarHBondContact O-N 3.34Å; G15-L19 PolarHBondContact O-N 3.28Å
16	A	40.8	Very low	46.2	Very low	58 Å²	58	95.6 Å²	95.6	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-70.8	-38.6	176.6	0	0	0	0	0	112.9	L12 T20	L12-A16 PolarHBondContact O-N 3.01Å; L12-A16 VanDerWaalsContact O-N 3.09Å; A16-T20 WeakPolarHBondContact O-CG2 3.33Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.35Å
17	V	39.3	Very low	48.8	Very low	80 Å²	80	93.3 Å²	93.3	49%	0.485	52%	0.517	S	S	.	.	H	α-helix	trans	-74.3	-39.2	179.3	173.9	0	0	0	0	111.8	L13 L19 T20 E21	L13-V17 VanDerWaalsContact O-CB 3.28Å; L13-V17 WeakPolarHBondContact O-CB 3.49Å; L13-V17 WeakPolarHBondContact O-CG2 3.38Å; L13-V17 PolarHBondContact O-N 2.7Å; V17-L19 VanDerWaalsContact C-N 3.28Å; V17-L19 PolarHBondContact O-N 3.17Å; V17-T20 WeakPolarHBondContact CA-OG1 3.46Å; V17-T20 PolarHBondContact O-N 2.88Å; V17-T20 VanDerWaalsContact O-N 3.16Å; V17-T20 PolarHBondContact O-OG1 3.02Å; V17-E21 PolarHBondContact O-N 3.03Å
18	A	36.8	Very low	51.3	Low	58 Å²	58	83.9 Å²	83.9	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-64.8	-33	177.4	0	0	0	0	0	112.3	W14	W14-A18 WeakPolarHBondContact O-CB 3.24Å; W14-A18 PolarHBondContact O-N 3.49Å
19	L	39.7	Very low	53.8	Low	93 Å²	93	79.1 Å²	79.1	49%	0.487	46%	0.456	S	S	.	.	H	α-helix	trans	-78.7	-21.8	174.9	-87.5	155.1	0	0	0	113.2	G15 V17 T22 W23	G15-L19 PolarHBondContact O-N 3.28Å; V17-L19 VanDerWaalsContact C-N 3.28Å; V17-L19 PolarHBondContact O-N 3.17Å; L19-T22 PolarHBondContact O-OG1 3.04Å; L19-W23 PolarHBondContact O-NE1 2.95Å
20	T	38	Very low	56.3	Low	92 Å²	92	78.1 Å²	78.1	56%	0.564	44%	0.444	S	S	*	.	H	α-helix	trans	-79.8	-27.4	174.6	48.7	0	0	0	0	113.3	A16 V17	A16-T20 WeakPolarHBondContact O-CG2 3.33Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.35Å; V17-T20 WeakPolarHBondContact CA-OG1 3.46Å; V17-T20 PolarHBondContact O-N 2.88Å; V17-T20 VanDerWaalsContact O-N 3.16Å; V17-T20 PolarHBondContact O-OG1 3.02Å
21	E	38.7	Very low	59.1	Low	160 Å²	160	73.7 Å²	73.7	75%	0.748	42%	0.421	S	S	*	.	H	α-helix	trans	-76.7	-20.8	179.7	-86.2	-172.3	156.9	0	0	113.8	V17 W23	V17-E21 PolarHBondContact O-N 3.03Å; E21-W23 PolarHBondContact O-N 3.05Å
22	T	46.5	Very low	61.7	Low	89 Å²	89	71.6 Å²	71.6	55%	0.546	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.3	-173.1	51.9	0	0	0	0	115.5	L19	L19-T22 PolarHBondContact O-OG1 3.04Å
23	W	48.8	Very low	64.3	Low	44 Å²	44	65.2 Å²	65.2	17%	0.167	37%	0.372	C	S	.	.	S	Bend	trans	-99.9	-31.4	-166.8	-66.7	65.9	0	0	0	113.8	L19 E21 G25 E236 E288	L19-W23 PolarHBondContact O-NE1 2.95Å; E21-W23 PolarHBondContact O-N 3.05Å; W23-G25 PolarHBondContact O-N 2.88Å; W23-E236 HydrophobicContact CE3-CB 4.37Å; W23-E236 HydrophobicContact CE3-CG 4.15Å; W23-E236 HydrophobicContact CH2-CB 4Å; W23-E236 HydrophobicContact CH2-CG 3.2Å; W23-E236 HydrophobicContact CZ2-CG 3.9Å; W23-E236 HydrophobicContact CZ3-CB 3.59Å; W23-E236 HydrophobicContact CZ3-CG 3.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.47Å; W23-E288 HydrophobicContact CB-CB 4.3Å; W23-E288 HydrophobicContact CB-CG 4.21Å; W23-E288 HydrophobicContact CE3-CB 4.2Å; W23-E288 VanDerWaalsContact O-CD 3.24Å
24	A	56	Low	67.2	Low	70 Å²	70	62 Å²	62	58%	0.579	36%	0.357	S	S	*	.	S	Bend	trans	-81.9	103.2	-176.4	0	0	0	0	0	110.8
25	G	75.6	Confident	70.3	Confident	26 Å²	26	53 Å²	53	27%	0.268	32%	0.324	S	S	.	.	S	Bend	trans	101.9	6.8	158.4	0	0	0	0	0	117.6	W23 P129	W23-G25 PolarHBondContact O-N 2.88Å; G25-P129 VanDerWaalsContact O-CA 3.26Å; G25-P129 WeakPolarHBondContact O-CA 3.38Å
26	S	91.4	Very high	73.1	Confident	59 Å²	59	53.7 Å²	53.7	41%	0.413	32%	0.317	S	S	.	.			trans	-82.4	142.2	165.8	62.6	0	0	0	0	110.8	L127	S26-L127 VanDerWaalsContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CA-O 3.48Å; S26-L127 WeakPolarHBondContact CB-O 3.44Å
27	H	96.3	Very high	75.8	Confident	32 Å²	32	51.8 Å²	51.8	15%	0.148	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.9	178.8	-67.9	-76.3	0	0	0	110.9	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 2.79Å; H27-D53 IonicContact CG-OD2 3.63Å; H27-D53 IonicContact ND1-OD1 3.95Å; H27-D53 IonicContact ND1-OD2 2.69Å; H27-D53 PolarHBondContact ND1-OD2 3.31Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.39Å; H27-L127 PolarHBondContact N-O 3.3Å; H27-L127 VanDerWaalsContact N-O 3.08Å; H27-L127 PolarHBondContact O-N 3.38Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.46Å
28	S	98	Very high	78.5	Confident	25 Å²	25	51.6 Å²	51.6	18%	0.175	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.5	179.4	65.3	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.37Å; S28-D53 PolarHBondContact N-OD1 3.05Å; S28-D53 PolarHBondContact O-N 2.87Å; S28-D53 PolarHBondContact OG-OD1 2.91Å; S28-C125 WeakPolarHBondContact CA-O 3.22Å; S28-D126 VanDerWaalsContact CB-OD1 3.23Å; S28-D126 WeakPolarHBondContact CB-OD1 3.26Å
29	M	98.7	Very high	81.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.3	166.8	-175.3	170.7	61.6	0	0	108.1	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.3Å; M29-Y31 HydrophobicContact CG-CE2 4.19Å; M29-Y31 HydrophobicContact SD-CE2 4.11Å; M29-Y51 WeakPolarHBondContact CA-O 3.1Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact CG-CZ 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.24Å; M29-G124 CarbonylContact O-C 3.48Å; M29-G124 WeakPolarHBondContact O-CA 3.16Å; M29-C125 PolarHBondContact N-O 3.4Å; M29-C125 PolarHBondContact O-N 2.86Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 WeakPolarHBondContact CE-SG 3.46Å; M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.42Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.37Å; M29-L192 HydrophobicContact SD-CB 4.49Å; M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.7	Very high	83.6	Confident	56 Å²	56	51.2 Å²	51.2	21%	0.211	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.1	-176.5	-59.1	-68	-177.6	79.8	3.6	110.5	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; R30-G50 CarbonylContact O-C 3.48Å; R30-G50 WeakPolarHBondContact O-CA 3.1Å; R30-Y51 PolarHBondContact N-O 3.24Å; R30-Y51 PolarHBondContact O-N 3.45Å; R30-D126 IonicContact CZ-OD1 3.92Å; R30-D126 IonicContact NE-OD1 3.63Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NE-OD1 3.17Å; R30-D126 IonicContact NH2-OD1 3.64Å; R30-D126 PolarHBondContact NH2-OD1 3.3Å; R30-D126 IonicContact NH2-OD2 3.53Å; R30-D126 PolarHBondContact NH2-OD2 3.35Å; R30-D126 VanDerWaalsContact NH2-OD2 3.12Å; R30-H137 PolarHBondContact NH2-NE2 2.91Å
31	Y	98.8	Very high	86.2	Confident	9 Å²	9	56.7 Å²	56.7	4%	0.035	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.9	168.8	-72.1	-87.8	0	0	0	109.6	M29 Y33 V49 F57 V58 F91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.3Å; M29-Y31 HydrophobicContact CG-CE2 4.19Å; M29-Y31 HydrophobicContact SD-CE2 4.11Å; Y31-Y33 HydrophobicContact CD1-CE1 4.35Å; Y31-Y33 HydrophobicContact CG-CE1 4.45Å; Y31-V49 CarbonylContact C-O 3.55Å; Y31-V49 WeakPolarHBondContact CA-O 3.48Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; Y31-V58 HydrophobicContact CE1-CG2 3.92Å; Y31-F91 HydrophobicContact CE1-CZ 4.47Å; Y31-M122 WeakPolarHBondContact O-CA 3.41Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 HydrophobicContact CD2-CE1 4.43Å; Y31-Y123 AromaticContact CD2-CE2 3.83Å; Y31-Y123 HydrophobicContact CD2-CE2 3.83Å; Y31-Y123 AromaticContact CD2-CZ 3.67Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.23Å; Y31-Y123 HydrophobicContact CG-CE1 4.12Å; Y31-Y123 HydrophobicContact CG-CE2 4.33Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.41Å; Y31-Y123 PolarHBondContact O-N 3.49Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.9	Very high	88.7	Confident	83 Å²	83	51.9 Å²	51.9	36%	0.364	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.7	177.6	-57.7	-93.7	0	0	0	109.2	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; F32-A48 WeakPolarHBondContact O-CA 3.25Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 2.87Å; F32-V49 PolarHBondContact O-N 3.5Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; F32-R121 CarbonylContact C-O 3.58Å; F32-R121 WeakPolarHBondContact CA-O 3.37Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.02Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.98Å
33	Y	98.8	Very high	91	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.016	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.2	177.4	-61.1	-2.6	0	0	0	109.2	Y31 F46 I47 A48 F91 Y98 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.35Å; Y31-Y33 HydrophobicContact CG-CE1 4.45Å; Y33-F46 HydrophobicContact CD1-CZ 4.37Å; Y33-F46 HydrophobicContact CD2-CE2 4.04Å; Y33-F46 AromaticContact CD2-CZ 3.74Å; Y33-F46 HydrophobicContact CD2-CZ 3.74Å; Y33-F46 HydrophobicContact CE2-CZ 4.23Å; Y33-F46 HydrophobicContact CG-CE2 4.13Å; Y33-F46 AromaticContact CG-CZ 3.82Å; Y33-F46 HydrophobicContact CG-CZ 3.82Å; Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.32Å; Y33-A48 HydrophobicContact CD1-CB 3.45Å; Y33-A48 VanDerWaalsContact CD1-CB 3.45Å; Y33-A48 HydrophobicContact CE1-CB 3.67Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; Y33-F91 HydrophobicContact CE1-CD1 4.31Å; Y33-F91 AromaticContact CE1-CE1 3.61Å; Y33-F91 HydrophobicContact CE1-CE1 3.61Å; Y33-F91 AromaticContact CZ-CE1 3.66Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.35Å; Y33-Y98 AromaticContact CD2-CE2 3.95Å; Y33-Y98 HydrophobicContact CD2-CE2 3.95Å; Y33-Y98 AromaticContact CD2-CZ 3.94Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.33Å; Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.23Å; Y33-Q120 WeakPolarHBondContact O-CA 3.32Å; Y33-R121 PolarHBondContact N-O 2.92Å; Y33-R121 PolarHBondContact O-N 3.41Å; Y33-Y123 HydrophobicContact CD1-CE1 4.43Å; Y33-Y123 HydrophobicContact CD2-CE1 4.49Å; Y33-Y123 AromaticContact CE1-CE1 3.74Å; Y33-Y123 HydrophobicContact CE1-CE1 3.74Å; Y33-Y123 AromaticContact CE2-CE1 3.86Å; Y33-Y123 HydrophobicContact CE2-CE1 3.86Å; Y33-Y123 AromaticContact CZ-CE1 3.43Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.43Å; Y33-Y123 AromaticContact CZ-CZ 3.93Å; Y33-Y123 WeakPolarHBondContact OH-CE1 3.43Å; Y33-Y123 PolarHBondContact OH-OH 3.35Å
34	T	98.8	Very high	93.2	Very high	36 Å²	36	50.6 Å²	50.6	22%	0.221	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.3	175.3	-56.7	0	0	0	0	109	M36 F46 I47 I118 I119 Q120	T34-M36 HydrophobicContact CG2-CE 4.13Å; T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.2Å; T34-F46 WeakPolarHBondContact O-CA 3.49Å; T34-I47 PolarHBondContact N-O 3.4Å; T34-I47 PolarHBondContact O-N 3.06Å; T34-I118 HydrophobicContact CG2-CG2 3.86Å; T34-I119 WeakPolarHBondContact CA-O 3.24Å; T34-Q120 HydrophobicContact CG2-CG 4.19Å
35	A	98.6	Very high	95.2	Very high	1 Å²	1	51 Å²	51	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127	172	0	0	0	0	0	110	R45 F46 Y98 L102 I118 I119	A35-R45 CarbonylContact C-O 3.51Å; A35-R45 VanDerWaalsContact CA-O 3.31Å; A35-R45 WeakPolarHBondContact CA-O 3.47Å; A35-F46 HydrophobicContact CB-CD2 4.2Å; A35-Y98 HydrophobicContact CB-CD1 3.55Å; A35-Y98 HydrophobicContact CB-CG 3.93Å; A35-L102 HydrophobicContact CB-CD1 4.12Å; A35-I118 CarbonylContact O-C 3.6Å; A35-I118 WeakPolarHBondContact O-CA 3.32Å; A35-I119 PolarHBondContact N-O 2.93Å; A35-I119 PolarHBondContact O-N 3.45Å
36	M	98.3	Very high	96.3	Very high	52 Å²	52	49.9 Å²	49.9	26%	0.256	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.3	-176.9	-63.9	160.3	-76.7	0	0	109.5	T34 P44 R45 I47 H117 I118	T34-M36 HydrophobicContact CG2-CE 4.13Å; T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.2Å; M36-P44 CarbonylContact O-C 3.49Å; M36-P44 WeakPolarHBondContact O-CA 3.41Å; M36-P44 WeakPolarHBondContact O-CB 3.28Å; M36-R45 HydrophobicContact CE-CB 4.37Å; M36-R45 HydrophobicContact CE-CG 4.37Å; M36-R45 PolarHBondContact N-O 2.96Å; M36-R45 PolarHBondContact O-N 3.2Å; M36-I47 HydrophobicContact CE-CD1 3.89Å; M36-I47 HydrophobicContact CE-CG1 4.36Å; M36-H117 WeakPolarHBondContact CA-O 3.4Å; M36-I118 HydrophobicContact CG-CD1 4.16Å; M36-I118 HydrophobicContact CG-CG1 3.98Å; M36-I118 HydrophobicContact CG-CG2 4.02Å
37	S	97.4	Very high	96.7	Very high	18 Å²	18	48.9 Å²	48.9	13%	0.126	26%	0.263	C	S	.	.			trans	-68.6	150.6	169.7	73.4	0	0	0	0	110.2	S116 H117	S37-S116 PolarHBondContact O-OG 3Å; S37-H117 PolarHBondContact N-O 3.44Å; S37-H117 PolarHBondContact OG-N 3.12Å; S37-H117 PolarHBondContact OG-O 2.97Å
38	R	95.4	Very high	96.8	Very high	76 Å²	76	47.4 Å²	47.4	29%	0.287	26%	0.257	S	S	.	.			trans	-143	72.8	179.3	53.5	174.3	175.7	-159.6	-11.2	110.8	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.16Å; R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.2Å; R38-R41 HydrophobicContact CG-CB 4.19Å; R38-R41 PolarHBondContact NE-O 3.5Å; R38-R41 PolarHBondContact O-N 3.21Å; R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 3Å; R38-E43 PolarHBondContact NH2-O 2.88Å; R38-D63 IonicContact CZ-OD1 3.43Å; R38-D63 IonicContact CZ-OD2 2.83Å; R38-D63 IonicContact NH1-OD1 3.6Å; R38-D63 PolarHBondContact NH1-OD1 3.26Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 3Å; R38-D63 IonicContact NH2-OD1 3.57Å; R38-D63 PolarHBondContact NH2-OD1 2.92Å; R38-D63 IonicContact NH2-OD2 3.77Å
39	P	91.9	Very high	96.8	Very high	54 Å²	54	47.5 Å²	47.5	35%	0.351	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	130.7	-176.3	-26.4	34.4	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.09Å; P39-E113 WeakPolarHBondContact CB-O 3.49Å; P39-E113 VanDerWaalsContact CG-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-G115 WeakPolarHBondContact CG-O 3.48Å
40	G	91.1	Very high	96.8	Very high	89 Å²	89	47.5 Å²	47.5	92%	0.918	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	1.5	-177.7	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.16Å
41	R	92.8	Very high	96.8	Very high	208 Å²	208	48.2 Å²	48.2	79%	0.785	26%	0.26	S	S	*	.	S	Bend	trans	-123.5	23.9	179.8	-58.7	-175	-179	179.5	0.8	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.2Å; R38-R41 HydrophobicContact CG-CB 4.19Å; R38-R41 PolarHBondContact NE-O 3.5Å; R38-R41 PolarHBondContact O-N 3.21Å; P39-R41 PolarHBondContact O-N 3.09Å
42	G	91.4	Very high	96.8	Very high	58 Å²	58	47.8 Å²	47.8	60%	0.598	26%	0.258	S	S	*	.	S	Bend	trans	95.8	-162.4	178.3	0	0	0	0	0	114
43	E	94.4	Very high	96.7	Very high	85 Å²	85	45.3 Å²	45.3	40%	0.397	25%	0.249	S	C	.	.	S	Bend	trans	-70.9	153.4	-176.8	-70.2	-66	168.6	0	0	112.4	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 3Å; R38-E43 PolarHBondContact NH2-O 2.88Å; E43-R45 PolarHBondContact O-N 3.32Å; E43-R99 VanDerWaalsContact CG-NH2 3.26Å; E43-R99 IonicContact OE1-CZ 3.74Å; E43-R99 IonicContact OE1-NH1 3.71Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 3.82Å; E43-R99 IonicContact OE2-NE 3.56Å; E43-R99 PolarHBondContact OE2-NE 3.13Å; E43-R99 IonicContact OE2-NH1 2.77Å; E43-R99 IonicContact OE2-NH2 3.61Å; E43-R99 PolarHBondContact OE2-NH2 3.21Å
44	P	96.4	Very high	96.6	Very high	21 Å²	21	48.1 Å²	48.1	14%	0.136	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-52.6	136.4	175.6	-26.3	35	0	0	0	112.4	M36 R99 L102	M36-P44 CarbonylContact O-C 3.49Å; M36-P44 WeakPolarHBondContact O-CA 3.41Å; M36-P44 WeakPolarHBondContact O-CB 3.28Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.23Å; P44-L102 HydrophobicContact CB-CD1 3.53Å; P44-L102 HydrophobicContact CG-CD1 3.72Å
45	R	98	Very high	96.6	Very high	80 Å²	80	47.1 Å²	47.1	30%	0.302	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.5	173.9	-176.1	-178.4	-175.6	178.6	-1.3	109	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.51Å; A35-R45 VanDerWaalsContact CA-O 3.31Å; A35-R45 WeakPolarHBondContact CA-O 3.47Å; M36-R45 HydrophobicContact CE-CB 4.37Å; M36-R45 HydrophobicContact CE-CG 4.37Å; M36-R45 PolarHBondContact N-O 2.96Å; M36-R45 PolarHBondContact O-N 3.2Å; E43-R45 PolarHBondContact O-N 3.32Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; R45-D61 IonicContact CZ-OD1 2.97Å; R45-D61 IonicContact CZ-OD2 3.11Å; R45-D61 IonicContact NE-OD1 2.77Å; R45-D61 PolarHBondContact NE-OD1 3.39Å; R45-D61 IonicContact NE-OD2 3.43Å; R45-D61 IonicContact NH2-OD1 3.52Å; R45-D61 PolarHBondContact NH2-OD1 3.32Å; R45-D61 IonicContact NH2-OD2 3.85Å; R45-D61 PolarHBondContact NH2-OD2 3.24Å; R45-S62 WeakPolarHBondContact CA-OG 3.5Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.1Å; R45-D63 HydrophobicContact CG-CB 4.33Å; R45-D63 IonicContact NE-OD2 3.17Å
46	F	98.6	Very high	96.5	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.2	176.3	178.2	-95.4	0	0	0	110	Y33 T34 A35 A48 F60 S62 F91 N94 T95 Y98	Y33-F46 HydrophobicContact CD1-CZ 4.37Å; Y33-F46 HydrophobicContact CD2-CE2 4.04Å; Y33-F46 AromaticContact CD2-CZ 3.74Å; Y33-F46 HydrophobicContact CD2-CZ 3.74Å; Y33-F46 HydrophobicContact CE2-CZ 4.23Å; Y33-F46 HydrophobicContact CG-CE2 4.13Å; Y33-F46 AromaticContact CG-CZ 3.82Å; Y33-F46 HydrophobicContact CG-CZ 3.82Å; T34-F46 WeakPolarHBondContact O-CA 3.49Å; A35-F46 HydrophobicContact CB-CD2 4.2Å; F46-A48 HydrophobicContact CE1-CB 3.83Å; F46-A48 HydrophobicContact CZ-CB 4.05Å; F46-F60 AromaticContact CD1-CD1 3.83Å; F46-F60 HydrophobicContact CD1-CD1 3.83Å; F46-F60 AromaticContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CE1-CD1 4.09Å; F46-F60 HydrophobicContact CE1-CE1 4.43Å; F46-S62 PolarHBondContact N-OG 2.79Å; F46-S62 PolarHBondContact O-N 3.2Å; F46-S62 PolarHBondContact O-OG 3.03Å; F46-F91 HydrophobicContact CE1-CB 4.24Å; F46-F91 HydrophobicContact CE1-CD1 4.14Å; F46-N94 HydrophobicContact CE1-CB 4.24Å; F46-N94 HydrophobicContact CE2-CB 4.15Å; F46-N94 HydrophobicContact CZ-CB 3.73Å; F46-T95 HydrophobicContact CB-CG2 3.98Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.4Å; F46-Y98 HydrophobicContact CD2-CD2 4.25Å; F46-Y98 HydrophobicContact CD2-CG 4.12Å; F46-Y98 HydrophobicContact CE2-CD1 4.47Å; F46-Y98 AromaticContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CD2 3.76Å; F46-Y98 AromaticContact CE2-CE2 3.96Å; F46-Y98 HydrophobicContact CE2-CE2 3.96Å; F46-Y98 HydrophobicContact CE2-CG 4.02Å
47	I	98.8	Very high	96.5	Very high	37 Å²	37	47.1 Å²	47.1	19%	0.19	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.3	175.6	-57.4	175.4	0	0	0	107.6	Y33 T34 M36 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.32Å; T34-I47 PolarHBondContact N-O 3.4Å; T34-I47 PolarHBondContact O-N 3.06Å; M36-I47 HydrophobicContact CE-CD1 3.89Å; M36-I47 HydrophobicContact CE-CG1 4.36Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; I47-V49 HydrophobicContact CG2-CG1 4.43Å; I47-F60 WeakPolarHBondContact CA-O 3.36Å
48	A	98.8	Very high	96.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.8	170.3	0	0	0	0	0	109.9	F32 Y33 F46 R59 F60 F91	F32-A48 WeakPolarHBondContact O-CA 3.25Å; Y33-A48 HydrophobicContact CD1-CB 3.45Å; Y33-A48 VanDerWaalsContact CD1-CB 3.45Å; Y33-A48 HydrophobicContact CE1-CB 3.67Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; F46-A48 HydrophobicContact CE1-CB 3.83Å; F46-A48 HydrophobicContact CZ-CB 4.05Å; A48-R59 CarbonylContact O-C 3.58Å; A48-R59 WeakPolarHBondContact O-CA 3.43Å; A48-F60 HydrophobicContact CB-CB 4.32Å; A48-F60 PolarHBondContact N-O 3.38Å; A48-F60 PolarHBondContact O-N 3.03Å; A48-F91 HydrophobicContact CB-CD1 3.64Å; A48-F91 HydrophobicContact CB-CE1 3.48Å; A48-F91 VanDerWaalsContact CB-CE1 3.48Å; A48-F91 HydrophobicContact CB-CG 4.38Å; A48-F91 HydrophobicContact CB-CZ 4.1Å
49	V	98.9	Very high	96.8	Very high	28 Å²	28	46.6 Å²	46.6	17%	0.17	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.4	172.8	-62.7	0	0	0	0	109.7	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.55Å; Y31-V49 WeakPolarHBondContact CA-O 3.48Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 2.87Å; F32-V49 PolarHBondContact O-N 3.5Å; I47-V49 HydrophobicContact CG2-CG1 4.43Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.29Å; V49-V58 WeakPolarHBondContact CA-O 3.36Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.26Å
50	G	98.8	Very high	97.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138	176.1	0	0	0	0	0	110.5	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.48Å; R30-G50 WeakPolarHBondContact O-CA 3.1Å; G50-Q56 WeakPolarHBondContact O-CA 3.32Å; G50-F57 WeakPolarHBondContact O-CD1 3.03Å; G50-F57 PolarHBondContact O-N 2.87Å; G50-V58 PolarHBondContact N-O 2.86Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 3.18Å
51	Y	98.8	Very high	97.4	Very high	71 Å²	71	40.6 Å²	40.6	28%	0.278	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.4	178.6	-78.3	-102.2	0	0	0	110.6	M29 R30 F32 V49 T55 Q56 F57	M29-Y51 WeakPolarHBondContact CA-O 3.1Å; R30-Y51 PolarHBondContact N-O 3.24Å; R30-Y51 PolarHBondContact O-N 3.45Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CB 4.45Å; Y51-Q56 HydrophobicContact CD2-CG 4.28Å; Y51-Q56 HydrophobicContact CE1-CB 3.55Å; Y51-Q56 HydrophobicContact CE1-CG 4.28Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.78Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Y51-F57 VanDerWaalsContact N-CE1 3.34Å
52	V	98.5	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.5	157	177.2	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.37Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; V52-D54 PolarHBondContact O-N 2.69Å; V52-T55 PolarHBondContact N-O 3.21Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.07Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 3.99Å; V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CG 4.5Å
53	D	96.8	Very high	98	Very high	31 Å²	31	32.3 Å²	32.3	17%	0.166	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-128.2	-166	-52.6	-40.9	0	0	0	110	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 2.79Å; H27-D53 IonicContact CG-OD2 3.63Å; H27-D53 IonicContact ND1-OD1 3.95Å; H27-D53 IonicContact ND1-OD2 2.69Å; H27-D53 PolarHBondContact ND1-OD2 3.31Å; S28-D53 PolarHBondContact N-OD1 3.05Å; S28-D53 PolarHBondContact O-N 2.87Å; S28-D53 PolarHBondContact OG-OD1 2.91Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 2.81Å
54	D	96.8	Very high	98.1	Very high	63 Å²	63	29.9 Å²	29.9	34%	0.337	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	10.5	177.5	-58.8	-55.9	0	0	0	114.4	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.69Å; D54-Y233 HydrophobicContact CB-CE2 3.91Å; D54-P234 WeakPolarHBondContact OD2-CB 2.94Å; D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 PolarHBondContact OD2-N 2.94Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	97.4	Very high	98.1	Very high	15 Å²	15	34.4 Å²	34.4	9%	0.092	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.9	-177.4	-58.5	0	0	0	0	111.5	Y51 V52 D53 F57 A73 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; V52-T55 PolarHBondContact N-O 3.21Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.07Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 2.81Å; T55-F57 PolarHBondContact O-N 2.93Å; T55-A73 HydrophobicContact CG2-CB 4.47Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.4Å; T55-Y233 PolarHBondContact OG1-OH 2.78Å; T55-R263 PolarHBondContact OG1-NE 2.89Å
56	Q	98.1	Very high	98	Very high	53 Å²	53	33.9 Å²	33.9	25%	0.248	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.8	173.3	-166	180	-2	0	0	110.6	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.29Å; G50-Q56 WeakPolarHBondContact O-CA 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CB 4.45Å; Y51-Q56 HydrophobicContact CD2-CG 4.28Å; Y51-Q56 HydrophobicContact CE1-CB 3.55Å; Y51-Q56 HydrophobicContact CE1-CG 4.28Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.78Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 2.91Å; Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 CarbonylContact O-C 3.57Å
57	F	98.4	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-23.4	-179.3	74.1	-84.2	0	0	0	114.5	M29 Y31 G50 Y51 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact CG-CZ 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.24Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.03Å; G50-F57 PolarHBondContact O-N 2.87Å; Y51-F57 VanDerWaalsContact N-CE1 3.34Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 3.99Å; T55-F57 PolarHBondContact O-N 2.93Å; F57-R72 PolarHBondContact O-N 2.83Å; F57-A73 HydrophobicContact CB-CB 4.19Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.08Å; F57-W75 AromaticContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.22Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.34Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.3Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å
58	V	98.6	Very high	97.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.8	175.7	-72	0	0	0	0	112.8	Y31 V49 G50 Q56 T69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.92Å; V49-V58 WeakPolarHBondContact CA-O 3.36Å; G50-V58 PolarHBondContact N-O 2.86Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 3.18Å; Q56-V58 PolarHBondContact NE2-O 2.91Å; V58-T69 HydrophobicContact CB-CG2 4.02Å; V58-T69 HydrophobicContact CG1-CG2 4.02Å; V58-E70 WeakPolarHBondContact CA-O 3.35Å; V58-I76 HydrophobicContact CG1-CG1 4.38Å; V58-W84 HydrophobicContact CG1-CH2 4.22Å; V58-W84 HydrophobicContact CG1-CZ3 3.95Å
59	R	98.6	Very high	97.9	Very high	82 Å²	82	41 Å²	41	31%	0.309	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.8	170.7	179.2	173.3	170.2	168.8	-2.2	111	A48 V49 D61 T69 E70 R72	A48-R59 CarbonylContact O-C 3.58Å; A48-R59 WeakPolarHBondContact O-CA 3.43Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.26Å; R59-D61 IonicContact NH2-OD2 2.82Å; R59-D61 PolarHBondContact NH2-OD2 3.16Å; R59-T69 WeakPolarHBondContact O-CA 3.34Å; R59-E70 PolarHBondContact N-O 2.82Å; R59-E70 PolarHBondContact O-N 3.32Å; R59-R72 HydrophobicContact CB-CG 3.92Å
60	F	98.8	Very high	97.9	Very high	1 Å²	1	43 Å²	43	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.5	165.2	177.9	-84.6	0	0	0	109.3	F46 I47 A48 P67 R68 F91 K92	F46-F60 AromaticContact CD1-CD1 3.83Å; F46-F60 HydrophobicContact CD1-CD1 3.83Å; F46-F60 AromaticContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CE1-CD1 4.09Å; F46-F60 HydrophobicContact CE1-CE1 4.43Å; I47-F60 WeakPolarHBondContact CA-O 3.36Å; A48-F60 HydrophobicContact CB-CB 4.32Å; A48-F60 PolarHBondContact N-O 3.38Å; A48-F60 PolarHBondContact O-N 3.03Å; F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.69Å; F60-R68 WeakPolarHBondContact CD2-O 3.38Å; F60-F91 HydrophobicContact CB-CB 4.1Å; F60-F91 HydrophobicContact CB-CD2 3.57Å; F60-F91 HydrophobicContact CB-CE2 4.13Å; F60-F91 HydrophobicContact CB-CG 3.86Å; F60-F91 HydrophobicContact CD1-CB 3.7Å; F60-F91 HydrophobicContact CD1-CG 4.32Å; F60-F91 HydrophobicContact CD2-CB 3.58Å; F60-F91 AromaticContact CD2-CD2 3.93Å; F60-F91 HydrophobicContact CD2-CD2 3.93Å; F60-F91 HydrophobicContact CD2-CG 4.13Å; F60-F91 HydrophobicContact CE1-CB 3.96Å; F60-F91 HydrophobicContact CE2-CB 3.84Å; F60-F91 HydrophobicContact CG-CB 3.5Å; F60-F91 AromaticContact CG-CD2 3.86Å; F60-F91 HydrophobicContact CG-CD2 3.86Å; F60-F91 AromaticContact CG-CG 3.85Å; F60-F91 HydrophobicContact CG-CG 3.85Å; F60-F91 HydrophobicContact CZ-CB 4.02Å; F60-K92 HydrophobicContact CE2-CG 4.31Å; F60-K92 HydrophobicContact CZ-CG 4.11Å
61	D	98.6	Very high	97.9	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.08	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	119.4	177.4	-162.2	-28.2	0	0	0	109.6	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.97Å; R45-D61 IonicContact CZ-OD2 3.11Å; R45-D61 IonicContact NE-OD1 2.77Å; R45-D61 PolarHBondContact NE-OD1 3.39Å; R45-D61 IonicContact NE-OD2 3.43Å; R45-D61 IonicContact NH2-OD1 3.52Å; R45-D61 PolarHBondContact NH2-OD1 3.32Å; R45-D61 IonicContact NH2-OD2 3.85Å; R45-D61 PolarHBondContact NH2-OD2 3.24Å; R59-D61 IonicContact NH2-OD2 2.82Å; R59-D61 PolarHBondContact NH2-OD2 3.16Å; D61-D63 PolarHBondContact O-N 2.83Å; D61-D63 PolarHBondContact OD1-N 3.34Å; D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 2.8Å
62	S	98.2	Very high	97.8	Very high	26 Å²	26	47.6 Å²	47.6	18%	0.182	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.9	-178.3	69.6	0	0	0	0	113.4	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.5Å; F46-S62 PolarHBondContact N-OG 2.79Å; F46-S62 PolarHBondContact O-N 3.2Å; F46-S62 PolarHBondContact O-OG 3.03Å; S62-P67 WeakPolarHBondContact O-CG 3.31Å
63	D	97.3	Very high	97.7	Very high	67 Å²	67	47.9 Å²	47.9	36%	0.358	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.7	179.3	-80.4	5.2	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.43Å; R38-D63 IonicContact CZ-OD2 2.83Å; R38-D63 IonicContact NH1-OD1 3.6Å; R38-D63 PolarHBondContact NH1-OD1 3.26Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 3Å; R38-D63 IonicContact NH2-OD1 3.57Å; R38-D63 PolarHBondContact NH2-OD1 2.92Å; R38-D63 IonicContact NH2-OD2 3.77Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.1Å; R45-D63 HydrophobicContact CG-CB 4.33Å; R45-D63 IonicContact NE-OD2 3.17Å; D61-D63 PolarHBondContact O-N 2.83Å; D61-D63 PolarHBondContact OD1-N 3.34Å
64	A	97.2	Very high	97.7	Very high	33 Å²	33	51.4 Å²	51.4	27%	0.273	29%	0.285	S	S	.	.	S	Bend	trans	-62.2	149.6	173.4	0	0	0	0	0	110.9	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 2.8Å; A64-S66 PolarHBondContact O-N 2.79Å; A64-P67 WeakPolarHBondContact O-CD 3.44Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.19Å
65	A	96.7	Very high	97.7	Very high	117 Å²	117	49.2 Å²	49.2	97%	0.967	27%	0.272	S	S	*	.	S	Bend	trans	-59.1	-33	180	0	0	0	0	0	112.9
66	S	96.2	Very high	97.7	Very high	68 Å²	68	48.5 Å²	48.5	48%	0.476	27%	0.268	S	S	.	.	S	Bend	trans	-131.5	90.8	168.8	-162.9	0	0	0	0	108.9	A64 R68	A64-S66 PolarHBondContact O-N 2.79Å; S66-R68 PolarHBondContact O-N 2.03Å; S66-R68 PolarHBondContact OG-NE 2.82Å
67	P	97.1	Very high	97.7	Very high	35 Å²	35	51.9 Å²	51.9	23%	0.227	28%	0.284	C	S	.	.			trans	-62.1	111.7	-176	-25.2	35.9	0	0	0	111.6	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.69Å; S62-P67 WeakPolarHBondContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CD 3.44Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.19Å; P67-K92 WeakPolarHBondContact O-CE 3.5Å
68	R	98	Very high	97.6	Very high	147 Å²	147	57.6 Å²	57.6	56%	0.555	31%	0.31	S	S	*	.			trans	-143.6	158.7	179.7	-62.8	-175.5	-174.7	-154.8	-3.7	109.5	F60 S66 T88	F60-R68 WeakPolarHBondContact CD2-O 3.38Å; S66-R68 PolarHBondContact O-N 2.03Å; S66-R68 PolarHBondContact OG-NE 2.82Å; R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.28Å
69	T	98.4	Very high	97.5	Very high	8 Å²	8	58 Å²	58	5%	0.049	31%	0.312	C	S	.	.			trans	-73.2	127.9	170	-47	0	0	0	0	108.4	V58 R59 W84 N87 T88 F91	V58-T69 HydrophobicContact CB-CG2 4.02Å; V58-T69 HydrophobicContact CG1-CG2 4.02Å; R59-T69 WeakPolarHBondContact O-CA 3.34Å; T69-W84 HydrophobicContact CG2-CE3 4.06Å; T69-W84 HydrophobicContact CG2-CZ3 3.92Å; T69-N87 HydrophobicContact CG2-CB 4.31Å; T69-N87 VanDerWaalsContact OG1-C 3.32Å; T69-T88 PolarHBondContact N-OG1 3.48Å; T69-T88 WeakPolarHBondContact OG1-CA 3.48Å; T69-T88 PolarHBondContact OG1-N 3.15Å; T69-T88 VanDerWaalsContact OG1-N 3.1Å; T69-T88 PolarHBondContact OG1-OG1 3.33Å; T69-F91 HydrophobicContact CG2-CD2 4.3Å; T69-F91 HydrophobicContact CG2-CE2 3.75Å; T69-F91 VanDerWaalsContact OG1-CD2 3.26Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.26Å; T69-F91 WeakPolarHBondContact OG1-CE2 3.35Å
70	E	98.3	Very high	97.5	Very high	71 Å²	71	55.8 Å²	55.8	33%	0.332	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.4	-177.1	-63.5	173.2	160.9	0	0	110.3	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.35Å; R59-E70 PolarHBondContact N-O 2.82Å; R59-E70 PolarHBondContact O-N 3.32Å; E70-R72 IonicContact OE2-CZ 3.12Å; E70-R72 IonicContact OE2-NH2 3.34Å; E70-R72 PolarHBondContact OE2-NH2 2.92Å
71	P	98.3	Very high	97.4	Very high	52 Å²	52	60.3 Å²	60.3	34%	0.338	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	145.5	172.4	28.7	-33.9	0	0	0	110.8	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.69Å; P71-E77 HydrophobicContact CB-CG 3.76Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.07Å; P71-W84 HydrophobicContact CB-CZ3 4.44Å; P71-W84 HydrophobicContact CG-CH2 4.28Å
72	R	97.8	Very high	97.4	Very high	115 Å²	115	67.6 Å²	67.6	43%	0.434	38%	0.378	S	S	.	.			trans	-128.6	0.5	174.7	-60.7	-64.8	172	179.3	-1.5	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 2.83Å; R59-R72 HydrophobicContact CB-CG 3.92Å; E70-R72 IonicContact OE2-CZ 3.12Å; E70-R72 IonicContact OE2-NH2 3.34Å; E70-R72 PolarHBondContact OE2-NH2 2.92Å
73	A	96.6	Very high	97.4	Very high	5 Å²	5	67.1 Å²	67.1	4%	0.041	37%	0.372	C	S	.	.	S	Bend	trans	-139.5	144.7	173.1	0	0	0	0	0	110.7	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.47Å; F57-A73 HydrophobicContact CB-CB 4.19Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 3.14Å; A73-I76 WeakPolarHBondContact O-CG2 3.4Å; A73-I76 PolarHBondContact O-N 2.87Å
74	P	96.9	Very high	97.4	Very high	105 Å²	105	65.8 Å²	65.8	68%	0.682	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-59	-37.9	-177.3	-26.8	35.1	0	0	0	114	I76 E77	P74-I76 PolarHBondContact O-N 2.81Å; P74-E77 WeakPolarHBondContact O-CB 3.46Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	96.8	Very high	97.5	Very high	18 Å²	18	69.3 Å²	69.3	7%	0.068	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-69.3	-14.9	-176.3	54.1	-106.3	0	0	0	114.2	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.46Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.08Å; F57-W75 AromaticContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CH2 3.85Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.22Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 3.14Å; W75-Q78 WeakPolarHBondContact O-CG 3.32Å; W75-Q78 PolarHBondContact O-NE2 2.93Å; W75-Y195 HydrophobicContact CE3-CD1 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.67Å; W75-Y195 HydrophobicContact CZ3-CG 3.67Å; W75-N198 WeakPolarHBondContact CB-O 3.25Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.14Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å
76	I	97.9	Very high	97.5	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-88.1	-19.6	174.1	-162.9	71.4	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.34Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.3Å; V58-I76 HydrophobicContact CG1-CG1 4.38Å; P71-I76 HydrophobicContact CB-CG2 3.69Å; A73-I76 WeakPolarHBondContact O-CG2 3.4Å; A73-I76 PolarHBondContact O-N 2.87Å; P74-I76 PolarHBondContact O-N 2.81Å; I76-Q78 PolarHBondContact O-N 2.88Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.19Å; I76-E79 WeakPolarHBondContact O-CG 3.42Å; I76-E79 PolarHBondContact O-N 2.8Å; I76-Y83 HydrophobicContact CD1-CE1 4.22Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.46Å; I76-W84 WeakPolarHBondContact O-CZ2 3.44Å; I76-Y195 HydrophobicContact CD1-CD1 3.84Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å
77	E	97.1	Very high	97.6	Very high	124 Å²	124	68.4 Å²	68.4	58%	0.579	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.1	-176.1	-64.9	-179.7	-172.5	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.76Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P74-E77 WeakPolarHBondContact O-CB 3.46Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 3.44Å
78	Q	96.1	Very high	97.7	Very high	119 Å²	119	67.3 Å²	67.3	56%	0.556	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.4	175.5	70.4	-173.5	-40.7	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.32Å; W75-Q78 PolarHBondContact O-NE2 2.93Å; I76-Q78 PolarHBondContact O-N 2.88Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-N198 PolarHBondContact NE2-ND2 3.11Å
79	E	97.6	Very high	97.7	Very high	11 Å²	11	65.7 Å²	65.7	5%	0.051	33%	0.331	C	S	.	.	S	Bend	trans	-64.7	137.4	176.7	-67.2	-61.5	161.2	0	0	111	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.19Å; I76-E79 WeakPolarHBondContact O-CG 3.42Å; I76-E79 PolarHBondContact O-N 2.8Å; E77-E79 PolarHBondContact O-N 3.44Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CE1 4.27Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CE1 4.33Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; E79-W84 HydrophobicContact CB-CZ2 4.44Å; E79-W84 PolarHBondContact O-NE1 2.98Å; E79-R194 IonicContact OE1-CZ 3.72Å; E79-R194 IonicContact OE1-NE 2.95Å; E79-R194 PolarHBondContact OE1-NE 2.92Å; E79-R194 IonicContact OE1-NH2 3.38Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 3.81Å; E79-R194 IonicContact OE2-NE 2.96Å; E79-R194 IonicContact OE2-NH2 2.98Å; E79-R194 PolarHBondContact OE2-NH2 3.48Å; E79-N198 PolarHBondContact OE1-ND2 3.16Å
80	G	97	Very high	97.7	Very high	35 Å²	35	68.3 Å²	68.3	36%	0.361	34%	0.344	S	S	.	.			trans	-69.4	167.4	-175.5	0	0	0	0	0	113.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.76Å; G80-E82 VanDerWaalsContact O-N 3.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.22Å; G80-Y83 PolarHBondContact O-N 2.77Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å
81	P	97.6	Very high	97.7	Very high	96 Å²	96	65.1 Å²	65.1	62%	0.623	33%	0.329	S	S	*	.	H	α-helix	trans	-56.6	-34.1	-178.5	22.6	-33.5	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.35Å; P81-W84 PolarHBondContact O-N 3.47Å; P81-W84 VanDerWaalsContact O-N 3.14Å; P81-D85 WeakPolarHBondContact O-CB 3.39Å; P81-D85 PolarHBondContact O-N 3.18Å
82	E	97.9	Very high	97.7	Very high	167 Å²	167	67 Å²	67	78%	0.78	33%	0.331	S	S	*	.	H	α-helix	trans	-58.5	-37.5	177.4	-63.1	174.4	-179.1	0	0	112.8	G80 R86	G80-E82 PolarHBondContact O-N 2.76Å; G80-E82 VanDerWaalsContact O-N 3.15Å; E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 2.95Å
83	Y	97.9	Very high	97.7	Very high	16 Å²	16	64.8 Å²	64.8	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-47.7	175.8	171.6	-93.5	0	0	0	110.8	I76 E79 G80 P81 N87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.22Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CE1 4.27Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CE1 4.33Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; G80-Y83 WeakPolarHBondContact O-CB 3.22Å; G80-Y83 PolarHBondContact O-N 2.77Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.35Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.31Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.43Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.49Å; Y83-N87 VanDerWaalsContact CZ-ND2 3.35Å; Y83-N87 WeakPolarHBondContact O-CB 3.11Å; Y83-N87 PolarHBondContact O-N 2.97Å; Y83-N87 PolarHBondContact O-ND2 2.86Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.11Å; Y83-W191 AromaticContact CD2-CZ3 3.97Å; Y83-W191 HydrophobicContact CD2-CZ3 3.97Å; Y83-W191 HydrophobicContact CE2-CE3 4.45Å; Y83-W191 AromaticContact CE2-CH2 3.95Å; Y83-W191 HydrophobicContact CE2-CH2 3.95Å; Y83-W191 HydrophobicContact CE2-CZ2 4.38Å; Y83-W191 AromaticContact CE2-CZ3 3.97Å; Y83-W191 HydrophobicContact CE2-CZ3 3.97Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y195 PolarHBondContact OH-OH 3.23Å
84	W	98.4	Very high	97.7	Very high	39 Å²	39	65.8 Å²	65.8	15%	0.148	34%	0.336	C	S	.	.	H	α-helix	trans	-66.8	-42.1	-178.2	-63	111.5	0	0	0	112.4	V58 T69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.22Å; V58-W84 HydrophobicContact CG1-CZ3 3.95Å; T69-W84 HydrophobicContact CG2-CE3 4.06Å; T69-W84 HydrophobicContact CG2-CZ3 3.92Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.07Å; P71-W84 HydrophobicContact CB-CZ3 4.44Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.46Å; I76-W84 WeakPolarHBondContact O-CZ2 3.44Å; E79-W84 HydrophobicContact CB-CZ2 4.44Å; E79-W84 PolarHBondContact O-NE1 2.98Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; P81-W84 PolarHBondContact O-N 3.47Å; P81-W84 VanDerWaalsContact O-N 3.14Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 2.85Å; W84-T88 PolarHBondContact O-OG1 3.38Å
85	D	98.3	Very high	97.8	Very high	107 Å²	107	61.6 Å²	61.6	57%	0.572	31%	0.308	S	S	*	.	H	α-helix	trans	-66.9	-45.7	178.3	-73.9	-21.4	0	0	0	111.2	P81 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.39Å; P81-D85 PolarHBondContact O-N 3.18Å; D85-T88 PolarHBondContact O-N 3.17Å; D85-Q89 WeakPolarHBondContact O-CB 3.34Å; D85-Q89 PolarHBondContact O-N 2.73Å
86	R	98	Very high	97.8	Very high	144 Å²	144	64.8 Å²	64.8	54%	0.543	32%	0.324	S	S	.	.	H	α-helix	trans	-59.3	-51.1	176.6	-179.8	-179.5	174.4	-176	-1.3	111.6	E82 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 2.95Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 2.97Å; R86-Q89 PolarHBondContact O-N 2.94Å; R86-I90 HydrophobicContact CG-CD1 4.02Å; R86-I90 WeakPolarHBondContact O-CG1 3.36Å; R86-I90 PolarHBondContact O-N 3.25Å
87	N	97.9	Very high	97.8	Very high	22 Å²	22	67.8 Å²	67.8	12%	0.118	34%	0.342	C	S	.	.	H	α-helix	trans	-66	-38.2	-179.3	-78.1	-72.4	0	0	0	112	T69 Y83 Q89 I90 F91	T69-N87 HydrophobicContact CG2-CB 4.31Å; T69-N87 VanDerWaalsContact OG1-C 3.32Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.31Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.43Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.49Å; Y83-N87 VanDerWaalsContact CZ-ND2 3.35Å; Y83-N87 WeakPolarHBondContact O-CB 3.11Å; Y83-N87 PolarHBondContact O-N 2.97Å; Y83-N87 PolarHBondContact O-ND2 2.86Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 3.3Å; N87-I90 WeakPolarHBondContact O-CB 3.48Å; N87-I90 PolarHBondContact O-N 3.39Å; N87-F91 HydrophobicContact CB-CE2 4.31Å; N87-F91 WeakPolarHBondContact O-CD2 3.42Å; N87-F91 PolarHBondContact O-N 2.86Å
88	T	98.5	Very high	97.8	Very high	12 Å²	12	62.2 Å²	62.2	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-43.6	174.1	-65.4	0	0	0	0	111.2	R68 T69 W84 D85 R86 F91 K92	R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.28Å; T69-T88 PolarHBondContact N-OG1 3.48Å; T69-T88 WeakPolarHBondContact OG1-CA 3.48Å; T69-T88 PolarHBondContact OG1-N 3.15Å; T69-T88 VanDerWaalsContact OG1-N 3.1Å; T69-T88 PolarHBondContact OG1-OG1 3.33Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 2.85Å; W84-T88 PolarHBondContact O-OG1 3.38Å; D85-T88 PolarHBondContact O-N 3.17Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 2.97Å; T88-F91 PolarHBondContact O-N 3.22Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.19Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.75Å
89	Q	98.4	Very high	97.8	Very high	113 Å²	113	58.8 Å²	58.8	53%	0.528	30%	0.298	S	S	.	.	H	α-helix	trans	-67.6	-37.4	178	-170.4	58.2	23.6	0	0	112.3	D85 R86 N87 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.34Å; D85-Q89 PolarHBondContact O-N 2.73Å; R86-Q89 PolarHBondContact O-N 2.94Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 3.3Å; Q89-K92 PolarHBondContact O-N 2.65Å; Q89-T93 WeakPolarHBondContact O-CB 3.47Å; Q89-T93 PolarHBondContact O-N 2.93Å; Q89-T93 PolarHBondContact O-OG1 2.94Å
90	I	97.9	Very high	97.8	Very high	63 Å²	63	63.9 Å²	63.9	32%	0.323	32%	0.322	S	S	.	.	H	α-helix	trans	-60	-48.2	173.3	-70.5	166.6	0	0	0	110.5	R86 N87 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.02Å; R86-I90 WeakPolarHBondContact O-CG1 3.36Å; R86-I90 PolarHBondContact O-N 3.25Å; N87-I90 WeakPolarHBondContact O-CB 3.48Å; N87-I90 PolarHBondContact O-N 3.39Å; I90-T93 PolarHBondContact O-N 2.99Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.36Å; I90-N94 PolarHBondContact O-N 3.47Å; I90-N94 PolarHBondContact O-ND2 3.08Å
91	F	98.4	Very high	97.9	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-69.2	-34.4	179.7	-65.6	-48.6	0	0	0	113.4	Y31 Y33 F46 A48 F60 T69 N87 T88 T93 N94 T95	Y31-F91 HydrophobicContact CE1-CZ 4.47Å; Y33-F91 HydrophobicContact CE1-CD1 4.31Å; Y33-F91 AromaticContact CE1-CE1 3.61Å; Y33-F91 HydrophobicContact CE1-CE1 3.61Å; Y33-F91 AromaticContact CZ-CE1 3.66Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.35Å; F46-F91 HydrophobicContact CE1-CB 4.24Å; F46-F91 HydrophobicContact CE1-CD1 4.14Å; A48-F91 HydrophobicContact CB-CD1 3.64Å; A48-F91 HydrophobicContact CB-CE1 3.48Å; A48-F91 VanDerWaalsContact CB-CE1 3.48Å; A48-F91 HydrophobicContact CB-CG 4.38Å; A48-F91 HydrophobicContact CB-CZ 4.1Å; F60-F91 HydrophobicContact CB-CB 4.1Å; F60-F91 HydrophobicContact CB-CD2 3.57Å; F60-F91 HydrophobicContact CB-CE2 4.13Å; F60-F91 HydrophobicContact CB-CG 3.86Å; F60-F91 HydrophobicContact CD1-CB 3.7Å; F60-F91 HydrophobicContact CD1-CG 4.32Å; F60-F91 HydrophobicContact CD2-CB 3.58Å; F60-F91 AromaticContact CD2-CD2 3.93Å; F60-F91 HydrophobicContact CD2-CD2 3.93Å; F60-F91 HydrophobicContact CD2-CG 4.13Å; F60-F91 HydrophobicContact CE1-CB 3.96Å; F60-F91 HydrophobicContact CE2-CB 3.84Å; F60-F91 HydrophobicContact CG-CB 3.5Å; F60-F91 AromaticContact CG-CD2 3.86Å; F60-F91 HydrophobicContact CG-CD2 3.86Å; F60-F91 AromaticContact CG-CG 3.85Å; F60-F91 HydrophobicContact CG-CG 3.85Å; F60-F91 HydrophobicContact CZ-CB 4.02Å; T69-F91 HydrophobicContact CG2-CD2 4.3Å; T69-F91 HydrophobicContact CG2-CE2 3.75Å; T69-F91 VanDerWaalsContact OG1-CD2 3.26Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.26Å; T69-F91 WeakPolarHBondContact OG1-CE2 3.35Å; N87-F91 HydrophobicContact CB-CE2 4.31Å; N87-F91 WeakPolarHBondContact O-CD2 3.42Å; N87-F91 PolarHBondContact O-N 2.86Å; T88-F91 PolarHBondContact O-N 3.22Å; F91-T93 VanDerWaalsContact C-N 3.34Å; F91-N94 PolarHBondContact O-N 3.43Å; F91-T95 PolarHBondContact O-N 3.4Å; F91-T95 PolarHBondContact O-OG1 3.36Å
92	K	98.1	Very high	97.9	Very high	91 Å²	91	60 Å²	60	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-41.2	171	-75.9	178.4	177.7	178.1	0	112.1	F60 P67 T88 Q89 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.31Å; F60-K92 HydrophobicContact CZ-CG 4.11Å; P67-K92 WeakPolarHBondContact O-CE 3.5Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.19Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.75Å; Q89-K92 PolarHBondContact O-N 2.65Å; K92-T95 WeakPolarHBondContact O-CB 3.5Å; K92-T95 PolarHBondContact O-N 3.44Å; K92-Q96 PolarHBondContact O-N 3.07Å
93	T	98.1	Very high	97.8	Very high	70 Å²	70	58.2 Å²	58.2	43%	0.429	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-42.9	175.9	-55.1	0	0	0	0	111.1	Q89 I90 F91 T95 Q96 T97	Q89-T93 WeakPolarHBondContact O-CB 3.47Å; Q89-T93 PolarHBondContact O-N 2.93Å; Q89-T93 PolarHBondContact O-OG1 2.94Å; I90-T93 PolarHBondContact O-N 2.99Å; F91-T93 VanDerWaalsContact C-N 3.34Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 2.92Å; T93-Q96 PolarHBondContact O-N 2.99Å; T93-T97 PolarHBondContact O-N 3.38Å; T93-T97 PolarHBondContact O-OG1 2.82Å
94	N	97.7	Very high	97.8	Very high	25 Å²	25	61.4 Å²	61.4	13%	0.134	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-38.5	173.8	-82.3	-72.2	0	0	0	111.9	F46 I90 F91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.24Å; F46-N94 HydrophobicContact CE2-CB 4.15Å; F46-N94 HydrophobicContact CZ-CB 3.73Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.36Å; I90-N94 PolarHBondContact O-N 3.47Å; I90-N94 PolarHBondContact O-ND2 3.08Å; F91-N94 PolarHBondContact O-N 3.43Å; N94-Q96 PolarHBondContact O-N 3.35Å; N94-T97 PolarHBondContact O-N 2.95Å; N94-T97 VanDerWaalsContact O-N 3.07Å; N94-Y98 HydrophobicContact CB-CD2 4.27Å; N94-Y98 HydrophobicContact CB-CE2 4.38Å; N94-Y98 VanDerWaalsContact O-CD2 3.25Å; N94-Y98 WeakPolarHBondContact O-CD2 3.32Å; N94-Y98 PolarHBondContact O-N 3.48Å
95	T	97.5	Very high	97.8	Very high	17 Å²	17	60 Å²	60	10%	0.104	29%	0.29	C	S	.	.	H	α-helix	trans	-54.9	-40.3	176.2	-58.4	0	0	0	0	111.6	F46 F91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.98Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.4Å; F91-T95 PolarHBondContact O-N 3.4Å; F91-T95 PolarHBondContact O-OG1 3.36Å; K92-T95 WeakPolarHBondContact O-CB 3.5Å; K92-T95 PolarHBondContact O-N 3.44Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 2.92Å; T95-R99 PolarHBondContact O-N 2.69Å
96	Q	97.1	Very high	97.8	Very high	86 Å²	86	58 Å²	58	40%	0.402	27%	0.274	S	S	.	.	H	α-helix	trans	-72.4	-44.1	175.1	-58.1	-52.1	-47.9	0	0	112.1	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.07Å; T93-Q96 PolarHBondContact O-N 2.99Å; N94-Q96 PolarHBondContact O-N 3.35Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 2.79Å; Q96-R99 WeakPolarHBondContact O-CB 3.47Å; Q96-R99 PolarHBondContact O-N 3.02Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.23Å; Q96-E100 PolarHBondContact O-N 3.26Å; Q96-E100 VanDerWaalsContact O-N 3.14Å
97	T	97.6	Very high	97.7	Very high	63 Å²	63	53.1 Å²	53.1	39%	0.387	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-45.3	179	-55.6	0	0	0	0	111.4	T93 N94 R99 E100 S101	T93-T97 PolarHBondContact O-N 3.38Å; T93-T97 PolarHBondContact O-OG1 2.82Å; N94-T97 PolarHBondContact O-N 2.95Å; N94-T97 VanDerWaalsContact O-N 3.07Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.63Å; T97-E100 PolarHBondContact O-N 3.18Å; T97-S101 PolarHBondContact O-N 2.64Å; T97-S101 PolarHBondContact O-OG 3.29Å; T97-S101 VanDerWaalsContact O-OG 3.12Å
98	Y	97.6	Very high	97.7	Very high	6 Å²	6	54.8 Å²	54.8	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-71.1	-29.6	-179.9	-84.3	-103.2	0	0	0	113	Y33 A35 F46 N94 Q96 E100 S101 L102 I119 R121 F140	Y33-Y98 AromaticContact CD2-CE2 3.95Å; Y33-Y98 HydrophobicContact CD2-CE2 3.95Å; Y33-Y98 AromaticContact CD2-CZ 3.94Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.33Å; A35-Y98 HydrophobicContact CB-CD1 3.55Å; A35-Y98 HydrophobicContact CB-CG 3.93Å; F46-Y98 HydrophobicContact CD2-CD2 4.25Å; F46-Y98 HydrophobicContact CD2-CG 4.12Å; F46-Y98 HydrophobicContact CE2-CD1 4.47Å; F46-Y98 AromaticContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CD2 3.76Å; F46-Y98 AromaticContact CE2-CE2 3.96Å; F46-Y98 HydrophobicContact CE2-CE2 3.96Å; F46-Y98 HydrophobicContact CE2-CG 4.02Å; N94-Y98 HydrophobicContact CB-CD2 4.27Å; N94-Y98 HydrophobicContact CB-CE2 4.38Å; N94-Y98 VanDerWaalsContact O-CD2 3.25Å; N94-Y98 WeakPolarHBondContact O-CD2 3.32Å; N94-Y98 PolarHBondContact O-N 3.48Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 2.79Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; Y98-S101 PolarHBondContact O-N 2.96Å; Y98-L102 WeakPolarHBondContact O-CB 3.39Å; Y98-L102 WeakPolarHBondContact O-CG 3.36Å; Y98-L102 PolarHBondContact O-N 3.02Å; Y98-I119 HydrophobicContact CD1-CB 4.09Å; Y98-I119 HydrophobicContact CD1-CD1 4.46Å; Y98-I119 HydrophobicContact CD1-CG2 3.96Å; Y98-I119 HydrophobicContact CE1-CB 4.3Å; Y98-I119 HydrophobicContact CE1-CG2 3.74Å; Y98-R121 WeakPolarHBondContact OH-CB 3.09Å; Y98-R121 WeakPolarHBondContact OH-CD 3.32Å; Y98-F140 HydrophobicContact CE1-CE1 4.43Å; Y98-F140 WeakPolarHBondContact OH-CE1 3.37Å
99	R	97.2	Very high	97.7	Very high	47 Å²	47	57.5 Å²	57.5	18%	0.177	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-44.3	170.7	177.2	-168.4	-60.2	-177.1	-11.6	111.1	E43 P44 T95 Q96 T97 R103	E43-R99 VanDerWaalsContact CG-NH2 3.26Å; E43-R99 IonicContact OE1-CZ 3.74Å; E43-R99 IonicContact OE1-NH1 3.71Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 3.82Å; E43-R99 IonicContact OE2-NE 3.56Å; E43-R99 PolarHBondContact OE2-NE 3.13Å; E43-R99 IonicContact OE2-NH1 2.77Å; E43-R99 IonicContact OE2-NH2 3.61Å; E43-R99 PolarHBondContact OE2-NH2 3.21Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.23Å; T95-R99 PolarHBondContact O-N 2.69Å; Q96-R99 WeakPolarHBondContact O-CB 3.47Å; Q96-R99 PolarHBondContact O-N 3.02Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.23Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.63Å; R99-R103 WeakPolarHBondContact O-CG 3.47Å; R99-R103 PolarHBondContact O-N 3.32Å
100	E	97.4	Very high	97.6	Very high	118 Å²	118	59.3 Å²	59.3	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-67.5	-43.7	175.4	-68.1	178.6	-176.1	0	0	111.6	Q96 T97 Y98 L102 R103 N104	Q96-E100 PolarHBondContact O-N 3.26Å; Q96-E100 VanDerWaalsContact O-N 3.14Å; T97-E100 PolarHBondContact O-N 3.18Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.2Å; E100-R103 WeakPolarHBondContact O-CB 3.31Å; E100-R103 PolarHBondContact O-N 3.02Å; E100-R103 VanDerWaalsContact O-N 3.1Å; E100-N104 PolarHBondContact O-N 2.84Å; E100-N104 PolarHBondContact O-ND2 2.74Å
101	S	97.8	Very high	97.6	Very high	40 Å²	40	59.2 Å²	59.2	28%	0.28	30%	0.295	S	S	.	.	H	α-helix	trans	-57.7	-41.2	175.5	-63.1	0	0	0	0	112.4	T97 Y98 R103 N104 L105	T97-S101 PolarHBondContact O-N 2.64Å; T97-S101 PolarHBondContact O-OG 3.29Å; T97-S101 VanDerWaalsContact O-OG 3.12Å; Y98-S101 PolarHBondContact O-N 2.96Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.26Å; S101-N104 PolarHBondContact O-N 3.42Å; S101-L105 WeakPolarHBondContact O-CB 3.41Å; S101-L105 VanDerWaalsContact O-CG 3.31Å; S101-L105 WeakPolarHBondContact O-CG 3.3Å; S101-L105 PolarHBondContact O-N 3.01Å
102	L	98.1	Very high	97.5	Very high	9 Å²	9	62.9 Å²	62.9	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-40.4	175.9	-81.5	164.4	0	0	0	111.8	A35 P44 Y98 E100 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.12Å; P44-L102 HydrophobicContact CB-CD1 3.53Å; P44-L102 HydrophobicContact CG-CD1 3.72Å; Y98-L102 WeakPolarHBondContact O-CB 3.39Å; Y98-L102 WeakPolarHBondContact O-CG 3.36Å; Y98-L102 PolarHBondContact O-N 3.02Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.2Å; L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.43Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-R106 VanDerWaalsContact O-N 3.15Å; L102-H117 HydrophobicContact CD2-CB 4.08Å; L102-I119 HydrophobicContact CB-CD1 4.27Å; L102-I119 HydrophobicContact CD2-CD1 3.83Å; L102-I119 HydrophobicContact CD2-CG1 3.67Å; L102-I119 HydrophobicContact CG-CD1 3.61Å; L102-I119 HydrophobicContact CG-CG1 4.02Å; L102-Y142 HydrophobicContact CD2-CE2 4.37Å
103	R	96.7	Very high	97.2	Very high	131 Å²	131	64.9 Å²	64.9	49%	0.494	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-43.1	176.4	-67.9	174.9	-175.1	166.2	1.5	111.6	R99 E100 S101 G107	R99-R103 WeakPolarHBondContact O-CG 3.47Å; R99-R103 PolarHBondContact O-N 3.32Å; E100-R103 WeakPolarHBondContact O-CB 3.31Å; E100-R103 PolarHBondContact O-N 3.02Å; E100-R103 VanDerWaalsContact O-N 3.1Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.26Å; R103-G107 PolarHBondContact O-N 3.36Å; R103-G107 VanDerWaalsContact O-N 3.15Å
104	N	97.5	Very high	97	Very high	82 Å²	82	65.5 Å²	65.5	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-48.8	179.4	-70.8	-24.7	0	0	0	111.8	E100 S101 G107 Y108	E100-N104 PolarHBondContact O-N 2.84Å; E100-N104 PolarHBondContact O-ND2 2.74Å; S101-N104 PolarHBondContact O-N 3.42Å; N104-G107 WeakPolarHBondContact O-CA 3.31Å; N104-G107 PolarHBondContact O-N 3.19Å; N104-G107 VanDerWaalsContact O-N 3.11Å; N104-Y108 WeakPolarHBondContact O-CD1 3.35Å; N104-Y108 PolarHBondContact O-N 3.38Å
105	L	98	Very high	96.7	Very high	10 Å²	10	65.5 Å²	65.5	5%	0.052	35%	0.35	C	S	.	.	H	α-helix	trans	-62.1	-46.1	-179.8	-71.9	168.6	0	0	0	111.4	S101 G107 Y108 Y109 I119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.41Å; S101-L105 VanDerWaalsContact O-CG 3.31Å; S101-L105 WeakPolarHBondContact O-CG 3.3Å; S101-L105 PolarHBondContact O-N 3.01Å; L105-G107 PolarHBondContact O-N 2.96Å; L105-Y108 HydrophobicContact CD2-CD2 4.33Å; L105-Y108 PolarHBondContact O-N 3.47Å; L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.89Å; L105-I119 HydrophobicContact CD1-CD1 3.4Å; L105-I119 HydrophobicContact CD1-CG1 3.54Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 4.02Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.48Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 3.98Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y147 HydrophobicContact CD2-CD1 4.48Å; L105-Y147 HydrophobicContact CD2-CD2 4.06Å; L105-Y147 HydrophobicContact CD2-CE1 3.87Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.36Å
106	R	97.3	Very high	96.7	Very high	64 Å²	64	68.6 Å²	68.6	24%	0.242	37%	0.373	C	S	.	.	H	α-helix	trans	-53	-41.7	173.5	-174.5	-172	66.1	176.5	10.8	111.8	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.43Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-R106 VanDerWaalsContact O-N 3.15Å; R106-N110 PolarHBondContact O-N 2.97Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.31Å; R106-Q111 PolarHBondContact O-N 3.01Å; R106-E113 IonicContact CZ-OE1 3.41Å; R106-E113 IonicContact NH1-OE1 3.58Å; R106-E113 PolarHBondContact NH1-OE1 2.78Å; R106-E113 IonicContact NH2-OE1 2.79Å; R106-E113 PolarHBondContact NH2-OE1 2.99Å
107	G	97.4	Very high	96.7	Very high	43 Å²	43	65.2 Å²	65.2	44%	0.443	36%	0.357	S	S	.	.	H	α-helix	trans	-65.2	-47.2	174.8	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.36Å; R103-G107 VanDerWaalsContact O-N 3.15Å; N104-G107 WeakPolarHBondContact O-CA 3.31Å; N104-G107 PolarHBondContact O-N 3.19Å; N104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 2.96Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.43Å; G107-N110 PolarHBondContact O-N 3Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.3Å
108	Y	97.9	Very high	96.8	Very high	57 Å²	57	65.1 Å²	65.1	22%	0.224	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-35.5	179.3	-62.3	-16.2	0	0	0	112.9	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.35Å; N104-Y108 PolarHBondContact O-N 3.38Å; L105-Y108 HydrophobicContact CD2-CD2 4.33Å; L105-Y108 PolarHBondContact O-N 3.47Å; Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.08Å; Y108-I166 HydrophobicContact CE2-CB 4.3Å; Y108-I166 HydrophobicContact CE2-CG2 4.14Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; Y108-K170 PolarHBondContact OH-NZ 2.93Å
109	Y	98.1	Very high	96.8	Very high	69 Å²	69	65 Å²	65	27%	0.271	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3.9	178.4	-69.7	-71.9	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 2.89Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.43Å; Y109-Q111 PolarHBondContact O-N 3.33Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.46Å; Y109-Y142 HydrophobicContact CE2-CD1 3.46Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.46Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.46Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.5Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.35Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.17Å; Y109-D161 PolarHBondContact OH-OD2 3.09Å; Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.38Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.85Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	97.1	Very high	96.9	Very high	151 Å²	151	66.6 Å²	66.6	81%	0.807	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	39.6	-177.4	-58	-58.9	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 2.97Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.3Å
111	Q	97.4	Very high	97	Very high	61 Å²	61	62.8 Å²	62.8	29%	0.285	34%	0.343	S	S	.	.			trans	-87.6	153	-176.3	-71.2	166.2	-33.6	0	0	112.1	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.31Å; R106-Q111 PolarHBondContact O-N 3.01Å; Y109-Q111 PolarHBondContact O-N 3.33Å; Q111-H117 PolarHBondContact NE2-CE1 3.29Å; Q111-H117 PolarHBondContact OE1-CE1 3.45Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; Q111-Y142 PolarHBondContact OE1-OH 2.88Å; Q111-D143 PolarHBondContact NE2-OD2 3.12Å
112	S	95.4	Very high	97	Very high	81 Å²	81	61.9 Å²	61.9	57%	0.566	34%	0.335	S	S	*	.			trans	-67.7	146.9	179.4	176.6	0	0	0	0	112.6	A114 G115	S112-A114 PolarHBondContact O-N 2.91Å; S112-A114 PolarHBondContact OG-N 3.36Å; S112-G115 PolarHBondContact O-N 2.94Å
113	E	92.5	Very high	97	Very high	132 Å²	132	62.4 Å²	62.4	62%	0.617	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.8	174.6	-54.8	-152.4	126.5	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.49Å; P39-E113 VanDerWaalsContact CG-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.41Å; R106-E113 IonicContact NH1-OE1 3.58Å; R106-E113 PolarHBondContact NH1-OE1 2.78Å; R106-E113 IonicContact NH2-OE1 2.79Å; R106-E113 PolarHBondContact NH2-OE1 2.99Å; E113-G115 PolarHBondContact O-N 2.97Å
114	A	92.9	Very high	97.1	Very high	83 Å²	83	56.2 Å²	56.2	69%	0.686	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.4	177.3	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 2.91Å; S112-A114 PolarHBondContact OG-N 3.36Å
115	G	93.1	Very high	97.2	Very high	25 Å²	25	52.3 Å²	52.3	26%	0.258	29%	0.292	S	S	.	.			trans	-74.7	134	-179.6	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.48Å; S112-G115 PolarHBondContact O-N 2.94Å; E113-G115 PolarHBondContact O-N 2.97Å; G115-H117 PolarHBondContact O-CD2 2.89Å
116	S	96.7	Very high	97.2	Very high	83 Å²	83	53 Å²	53	58%	0.58	30%	0.296	S	S	*	.			trans	-83.5	133	166.4	-174.3	0	0	0	0	108.9	S37	S37-S116 PolarHBondContact O-OG 3Å
117	H	98.1	Very high	97.2	Very high	15 Å²	15	50.2 Å²	50.2	7%	0.069	29%	0.286	C	S	.	.			trans	-134.8	153.2	-175.1	-63.5	-72.7	0	0	0	111	M36 S37 L102 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.4Å; S37-H117 PolarHBondContact N-O 3.44Å; S37-H117 PolarHBondContact OG-N 3.12Å; S37-H117 PolarHBondContact OG-O 2.97Å; L102-H117 HydrophobicContact CD2-CB 4.08Å; Q111-H117 PolarHBondContact NE2-CE1 3.29Å; Q111-H117 PolarHBondContact OE1-CE1 3.45Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; G115-H117 PolarHBondContact O-CD2 2.89Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.18Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; H117-D143 WeakPolarHBondContact CA-OD1 3.41Å; H117-D143 WeakPolarHBondContact CB-OD1 2.97Å; H117-D143 IonicContact CE1-OD2 3.61Å; H117-D143 IonicContact CG-OD1 2.81Å; H117-D143 IonicContact CG-OD2 3.2Å; H117-D143 IonicContact ND1-OD1 2.73Å; H117-D143 IonicContact ND1-OD2 2.73Å; H117-D143 PolarHBondContact ND1-OD2 2.79Å
118	I	98.3	Very high	97	Very high	60 Å²	60	48.6 Å²	48.6	31%	0.308	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.5	-176.5	-50.5	-175.1	0	0	0	109.7	T34 A35 M36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.86Å; A35-I118 CarbonylContact O-C 3.6Å; A35-I118 WeakPolarHBondContact O-CA 3.32Å; M36-I118 HydrophobicContact CG-CD1 4.16Å; M36-I118 HydrophobicContact CG-CG1 3.98Å; M36-I118 HydrophobicContact CG-CG2 4.02Å; I118-Q120 HydrophobicContact CG2-CG 3.98Å; I118-Y142 WeakPolarHBondContact O-CA 3.4Å; I118-Y142 WeakPolarHBondContact O-CD2 3.42Å; I118-D143 PolarHBondContact N-OD1 3.23Å; I118-D143 PolarHBondContact O-N 2.73Å
119	I	98.5	Very high	96.6	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.1	164.3	-56.5	169.7	0	0	0	107.9	T34 A35 Y98 L102 L105 F140 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.24Å; A35-I119 PolarHBondContact N-O 2.93Å; A35-I119 PolarHBondContact O-N 3.45Å; Y98-I119 HydrophobicContact CD1-CB 4.09Å; Y98-I119 HydrophobicContact CD1-CD1 4.46Å; Y98-I119 HydrophobicContact CD1-CG2 3.96Å; Y98-I119 HydrophobicContact CE1-CB 4.3Å; Y98-I119 HydrophobicContact CE1-CG2 3.74Å; L102-I119 HydrophobicContact CB-CD1 4.27Å; L102-I119 HydrophobicContact CD2-CD1 3.83Å; L102-I119 HydrophobicContact CD2-CG1 3.67Å; L102-I119 HydrophobicContact CG-CD1 3.61Å; L102-I119 HydrophobicContact CG-CG1 4.02Å; L105-I119 HydrophobicContact CD1-CD1 3.4Å; L105-I119 HydrophobicContact CD1-CG1 3.54Å; I119-F140 HydrophobicContact CG2-CD1 4.24Å; I119-A141 WeakPolarHBondContact CA-O 3.22Å; I119-Y142 HydrophobicContact CG1-CD2 3.76Å; I119-Y142 HydrophobicContact CG1-CE2 4.12Å
120	Q	98.8	Very high	96.2	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.8	172.1	-62.9	171.8	-91.9	0	0	109.8	Y33 T34 I118 F140 A141	Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.23Å; Y33-Q120 WeakPolarHBondContact O-CA 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.19Å; I118-Q120 HydrophobicContact CG2-CG 3.98Å; Q120-F140 CarbonylContact O-C 3.49Å; Q120-F140 VanDerWaalsContact O-CA 3.22Å; Q120-F140 WeakPolarHBondContact O-CA 3.49Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 3.42Å; Q120-A141 PolarHBondContact O-N 2.87Å
121	R	98.6	Very high	95.8	Very high	38 Å²	38	46.1 Å²	46.1	14%	0.143	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.9	169	-177.5	-169.1	-176	-175.1	4.1	109.4	F32 Y33 Y98 Y123 D138 Q139 F140	F32-R121 CarbonylContact C-O 3.58Å; F32-R121 WeakPolarHBondContact CA-O 3.37Å; Y33-R121 PolarHBondContact N-O 2.92Å; Y33-R121 PolarHBondContact O-N 3.41Å; Y98-R121 WeakPolarHBondContact OH-CB 3.09Å; Y98-R121 WeakPolarHBondContact OH-CD 3.32Å; R121-Y123 HydrophobicContact CG-CD1 4.21Å; R121-D138 IonicContact CZ-OD1 3.39Å; R121-D138 IonicContact NE-OD1 3.43Å; R121-D138 PolarHBondContact NE-OD1 2.83Å; R121-D138 IonicContact NH2-OD1 3.51Å; R121-D138 PolarHBondContact NH2-OD1 3.39Å; R121-D138 IonicContact NH2-OD2 3.62Å; R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.25Å; R121-Q139 WeakPolarHBondContact CA-O 3.33Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.72Å; R121-F140 HydrophobicContact CB-CG 4.33Å; R121-F140 HydrophobicContact CB-CZ 4.17Å; R121-F140 HydrophobicContact CG-CD1 4.03Å; R121-F140 HydrophobicContact CG-CD2 4.18Å; R121-F140 HydrophobicContact CG-CE1 3.69Å; R121-F140 HydrophobicContact CG-CE2 3.81Å; R121-F140 HydrophobicContact CG-CG 4.28Å; R121-F140 HydrophobicContact CG-CZ 3.59Å
122	M	98.8	Very high	95.6	Very high	21 Å²	21	51.3 Å²	51.3	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.3	164	-177.4	-78	-74.2	0	0	107.9	Y31 F32 H137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.41Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.02Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.98Å; M122-H137 HydrophobicContact CE-CB 3.99Å; M122-H137 HydrophobicContact SD-CB 3.96Å; M122-D138 WeakPolarHBondContact O-CA 3.39Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 2.74Å; M122-Q139 PolarHBondContact O-N 3.08Å
123	Y	98.8	Very high	95.7	Very high	20 Å²	20	50 Å²	50	8%	0.078	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.3	172.1	75.7	-82.7	0	0	0	110.7	Y31 Y33 R121 H137 D138 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 HydrophobicContact CD2-CE1 4.43Å; Y31-Y123 AromaticContact CD2-CE2 3.83Å; Y31-Y123 HydrophobicContact CD2-CE2 3.83Å; Y31-Y123 AromaticContact CD2-CZ 3.67Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.23Å; Y31-Y123 HydrophobicContact CG-CE1 4.12Å; Y31-Y123 HydrophobicContact CG-CE2 4.33Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.41Å; Y31-Y123 PolarHBondContact O-N 3.49Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; Y33-Y123 HydrophobicContact CD1-CE1 4.43Å; Y33-Y123 HydrophobicContact CD2-CE1 4.49Å; Y33-Y123 AromaticContact CE1-CE1 3.74Å; Y33-Y123 HydrophobicContact CE1-CE1 3.74Å; Y33-Y123 AromaticContact CE2-CE1 3.86Å; Y33-Y123 HydrophobicContact CE2-CE1 3.86Å; Y33-Y123 AromaticContact CZ-CE1 3.43Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.43Å; Y33-Y123 AromaticContact CZ-CZ 3.93Å; Y33-Y123 WeakPolarHBondContact OH-CE1 3.43Å; Y33-Y123 PolarHBondContact OH-OH 3.35Å; R121-Y123 HydrophobicContact CG-CD1 4.21Å; Y123-H137 CarbonylContact C-O 3.52Å; Y123-H137 WeakPolarHBondContact CA-O 3.42Å; Y123-H137 VanDerWaalsContact CB-O 3.3Å; Y123-H137 WeakPolarHBondContact CB-O 3.31Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.24Å; Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.64Å; Y123-Y183 HydrophobicContact CE2-CE1 3.64Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å
124	G	98.6	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.2	-176.2	-175	0	0	0	0	0	114	M29 H137 L184	M29-G124 CarbonylContact O-C 3.48Å; M29-G124 WeakPolarHBondContact O-CA 3.16Å; G124-H137 PolarHBondContact N-O 3.3Å; G124-H137 PolarHBondContact O-N 3.15Å; G124-L184 WeakPolarHBondContact O-CD2 3.35Å
125	C	98.6	Very high	96	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.9	-177.5	52.2	0	0	0	0	110.9	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.22Å; M29-C125 PolarHBondContact N-O 3.4Å; M29-C125 PolarHBondContact O-N 2.86Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.42Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 2.86Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.88Å
126	D	98.2	Very high	96.3	Very high	26 Å²	26	50 Å²	50	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.1	173.2	-52.8	-24.3	0	0	0	108.4	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.39Å; S28-D126 VanDerWaalsContact CB-OD1 3.23Å; S28-D126 WeakPolarHBondContact CB-OD1 3.26Å; R30-D126 IonicContact CZ-OD1 3.92Å; R30-D126 IonicContact NE-OD1 3.63Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NE-OD1 3.17Å; R30-D126 IonicContact NH2-OD1 3.64Å; R30-D126 PolarHBondContact NH2-OD1 3.3Å; R30-D126 IonicContact NH2-OD2 3.53Å; R30-D126 PolarHBondContact NH2-OD2 3.35Å; R30-D126 VanDerWaalsContact NH2-OD2 3.12Å; D126-L134 HydrophobicContact CB-CB 4.5Å; D126-L134 PolarHBondContact O-N 3.15Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 2.77Å; D126-R135 PolarHBondContact O-N 2.89Å; D126-H137 IonicContact OD1-CD2 3.7Å; D126-H137 IonicContact OD1-NE2 3Å; D126-H137 IonicContact OD2-CD2 3.81Å; D126-H137 IonicContact OD2-CE1 3.75Å; D126-H137 IonicContact OD2-NE2 3.92Å; D126-H137 PolarHBondContact OD2-NE2 3.07Å
127	L	97.1	Very high	96.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.3	174.8	-54.7	-176.9	0	0	0	110.2	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CA-O 3.48Å; S26-L127 WeakPolarHBondContact CB-O 3.44Å; H27-L127 PolarHBondContact N-O 3.3Å; H27-L127 VanDerWaalsContact N-O 3.08Å; H27-L127 PolarHBondContact O-N 3.38Å; L127-R132 CarbonylContact C-O 3.55Å; L127-R132 VanDerWaalsContact CA-O 3.22Å; L127-R132 WeakPolarHBondContact CA-O 3.41Å; L127-V189 HydrophobicContact CD1-CG1 4.42Å; L127-V189 HydrophobicContact CD2-CB 4.21Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.25Å; L127-R193 HydrophobicContact CD1-CG 3.99Å
128	G	93.8	Very high	96.4	Very high	9 Å²	9	46.3 Å²	46.3	9%	0.093	23%	0.232	C	C	.	.			trans	-73.6	175.7	166.8	0	0	0	0	0	112.3	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.46Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.41Å; G128-G131 PolarHBondContact O-N 2.95Å; G128-R132 PolarHBondContact N-O 2.99Å
129	P	89.5	Confident	96.4	Very high	103 Å²	103	47.1 Å²	47.1	67%	0.669	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.3	177.3	-24.7	34.9	0	0	0	115	G25 G131	G25-P129 VanDerWaalsContact O-CA 3.26Å; G25-P129 WeakPolarHBondContact O-CA 3.38Å; P129-G131 PolarHBondContact O-N 2.85Å
130	D	88.9	Confident	96.4	Very high	103 Å²	103	48.3 Å²	48.3	55%	0.551	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	2.6	173.8	70	-12.6	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 3.46Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 3.15Å; D130-R132 WeakPolarHBondContact OD1-CB 3.44Å; D130-R132 PolarHBondContact OD1-N 2.8Å; D130-R132 WeakPolarHBondContact OD2-CD 3.22Å; D130-R132 WeakPolarHBondContact OD2-CG 3.25Å; D130-R132 IonicContact OD2-NE 2.7Å; D130-R132 IonicContact OD2-NH1 3.5Å
131	G	88.9	Confident	96.4	Very high	20 Å²	20	45.3 Å²	45.3	21%	0.206	23%	0.228	C	C	.	.	S	Bend	trans	71.9	10.4	-178.2	0	0	0	0	0	114	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.41Å; G128-G131 PolarHBondContact O-N 2.95Å; P129-G131 PolarHBondContact O-N 2.85Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 3.4Å; G131-R193 PolarHBondContact O-NH2 3.11Å
132	R	93.9	Very high	96.4	Very high	170 Å²	170	44 Å²	44	64%	0.642	22%	0.223	S	C	*	.	S	Bend	trans	-88.6	154.1	177.4	-62.4	-173.7	-177.4	162.3	-3.1	111.3	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.55Å; L127-R132 VanDerWaalsContact CA-O 3.22Å; L127-R132 WeakPolarHBondContact CA-O 3.41Å; G128-R132 PolarHBondContact N-O 2.99Å; D130-R132 PolarHBondContact O-N 3.15Å; D130-R132 WeakPolarHBondContact OD1-CB 3.44Å; D130-R132 PolarHBondContact OD1-N 2.8Å; D130-R132 WeakPolarHBondContact OD2-CD 3.22Å; D130-R132 WeakPolarHBondContact OD2-CG 3.25Å; D130-R132 IonicContact OD2-NE 2.7Å; D130-R132 IonicContact OD2-NH1 3.5Å; R132-L134 PolarHBondContact O-N 2.83Å; R132-L134 VanDerWaalsContact O-N 3.15Å
133	L	96.8	Very high	96.4	Very high	53 Å²	53	46 Å²	46	28%	0.277	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	119.4	175.3	-176.6	72.8	0	0	0	109.7	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.58Å; L133-R135 WeakPolarHBondContact CD1-O 3.43Å; L133-L154 HydrophobicContact CD2-CD1 4.29Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.02Å
134	L	96.3	Very high	96.3	Very high	129 Å²	129	47.8 Å²	47.8	68%	0.675	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	-45.5	170.7	-175.8	69.1	0	0	0	110.2	D126 R132	D126-L134 HydrophobicContact CB-CB 4.5Å; D126-L134 PolarHBondContact O-N 3.15Å; R132-L134 PolarHBondContact O-N 2.83Å; R132-L134 VanDerWaalsContact O-N 3.15Å
135	R	96.6	Very high	96.3	Very high	104 Å²	104	55.5 Å²	55.5	39%	0.392	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	140.2	-176	-172.1	171.9	175.4	138.9	9	111.8	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.42Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 2.77Å; D126-R135 PolarHBondContact O-N 2.89Å; L133-R135 WeakPolarHBondContact CD1-O 3.43Å; R135-H137 WeakPolarHBondContact CD-CE1 3.23Å; R135-H137 PolarHBondContact NE-CE1 3.16Å; R135-E152 IonicContact CZ-OE1 2.8Å; R135-E152 IonicContact NH1-OE1 3.67Å; R135-E152 PolarHBondContact NH1-OE1 3.29Å; R135-E152 IonicContact NH2-OE1 3.85Å; R135-E152 PolarHBondContact NH2-OE1 2.85Å
136	G	98.1	Very high	96.3	Very high	6 Å²	6	61.4 Å²	61.4	6%	0.062	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	150.3	167.7	0	0	0	0	0	110.9
137	H	98.2	Very high	96.3	Very high	19 Å²	19	60.7 Å²	60.7	9%	0.088	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.3	-178.4	-54.3	-93.4	0	0	0	110.4	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 2.91Å; M122-H137 HydrophobicContact CE-CB 3.99Å; M122-H137 HydrophobicContact SD-CB 3.96Å; Y123-H137 CarbonylContact C-O 3.52Å; Y123-H137 WeakPolarHBondContact CA-O 3.42Å; Y123-H137 VanDerWaalsContact CB-O 3.3Å; Y123-H137 WeakPolarHBondContact CB-O 3.31Å; G124-H137 PolarHBondContact N-O 3.3Å; G124-H137 PolarHBondContact O-N 3.15Å; D126-H137 IonicContact OD1-CD2 3.7Å; D126-H137 IonicContact OD1-NE2 3Å; D126-H137 IonicContact OD2-CD2 3.81Å; D126-H137 IonicContact OD2-CE1 3.75Å; D126-H137 IonicContact OD2-NE2 3.92Å; D126-H137 PolarHBondContact OD2-NE2 3.07Å; R135-H137 WeakPolarHBondContact CD-CE1 3.23Å; R135-H137 PolarHBondContact NE-CE1 3.16Å
138	D	98.6	Very high	96.4	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	110.1	164.2	-171.3	75.2	0	0	0	108.7	R121 M122 Y123 F140 L150 L180	R121-D138 IonicContact CZ-OD1 3.39Å; R121-D138 IonicContact NE-OD1 3.43Å; R121-D138 PolarHBondContact NE-OD1 2.83Å; R121-D138 IonicContact NH2-OD1 3.51Å; R121-D138 PolarHBondContact NH2-OD1 3.39Å; R121-D138 IonicContact NH2-OD2 3.62Å; M122-D138 WeakPolarHBondContact O-CA 3.39Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.24Å; D138-F140 WeakPolarHBondContact OD2-CE2 3.5Å; D138-L150 HydrophobicContact CB-CB 3.97Å; D138-L150 HydrophobicContact CB-CD2 4.14Å; D138-L150 WeakPolarHBondContact O-CB 3.22Å; D138-L150 PolarHBondContact O-N 3.01Å; D138-L180 HydrophobicContact CB-CD1 4.21Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.43Å
139	Q	98.7	Very high	96.7	Very high	77 Å²	77	61.7 Å²	61.7	36%	0.36	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.9	-175.8	64.1	-172.1	55.3	0	0	111.7	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.25Å; R121-Q139 WeakPolarHBondContact CA-O 3.33Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 2.74Å; M122-Q139 PolarHBondContact O-N 3.08Å; Q139-I148 WeakPolarHBondContact CA-O 3.41Å; Q139-A149 HydrophobicContact CB-CB 3.88Å
140	F	98.8	Very high	97.1	Very high	29 Å²	29	57.5 Å²	57.5	13%	0.127	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.3	-179.5	-67.7	-105.2	0	0	0	110.9	Y98 I119 Q120 R121 D138 Y147 I148 W171	Y98-F140 HydrophobicContact CE1-CE1 4.43Å; Y98-F140 WeakPolarHBondContact OH-CE1 3.37Å; I119-F140 HydrophobicContact CG2-CD1 4.24Å; Q120-F140 CarbonylContact O-C 3.49Å; Q120-F140 VanDerWaalsContact O-CA 3.22Å; Q120-F140 WeakPolarHBondContact O-CA 3.49Å; R121-F140 HydrophobicContact CB-CD1 3.79Å; R121-F140 HydrophobicContact CB-CE1 3.72Å; R121-F140 HydrophobicContact CB-CG 4.33Å; R121-F140 HydrophobicContact CB-CZ 4.17Å; R121-F140 HydrophobicContact CG-CD1 4.03Å; R121-F140 HydrophobicContact CG-CD2 4.18Å; R121-F140 HydrophobicContact CG-CE1 3.69Å; R121-F140 HydrophobicContact CG-CE2 3.81Å; R121-F140 HydrophobicContact CG-CG 4.28Å; R121-F140 HydrophobicContact CG-CZ 3.59Å; D138-F140 WeakPolarHBondContact OD2-CE2 3.5Å; F140-Y147 HydrophobicContact CB-CD1 4.43Å; F140-Y147 WeakPolarHBondContact O-CB 3.45Å; F140-Y147 PolarHBondContact O-N 2.97Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.15Å; F140-I148 HydrophobicContact CG-CG2 4.48Å; F140-I148 PolarHBondContact N-O 2.81Å; F140-I148 PolarHBondContact O-N 2.85Å; F140-W171 AromaticContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CZ3 4.3Å; F140-W171 AromaticContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CH2 3.42Å; F140-W171 VanDerWaalsContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CZ2 4.45Å; F140-W171 HydrophobicContact CE2-CZ3 4.05Å; F140-W171 AromaticContact CZ-CH2 3.84Å; F140-W171 HydrophobicContact CZ-CH2 3.84Å; F140-W171 HydrophobicContact CZ-CZ2 4.48Å
141	A	98.8	Very high	97.6	Very high	17 Å²	17	54.7 Å²	54.7	14%	0.14	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.6	169.9	0	0	0	0	0	110.4	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.22Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 3.42Å; Q120-A141 PolarHBondContact O-N 2.87Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.38Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.42Å
142	Y	98.8	Very high	98	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.039	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.2	175	-174.4	-123.2	0	0	0	110.1	L102 L105 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.37Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 4.02Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.48Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 3.98Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.46Å; Y109-Y142 HydrophobicContact CE2-CD1 3.46Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.46Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Q111-Y142 PolarHBondContact OE1-OH 2.88Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.18Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; I118-Y142 WeakPolarHBondContact O-CA 3.4Å; I118-Y142 WeakPolarHBondContact O-CD2 3.42Å; I119-Y142 HydrophobicContact CG1-CD2 3.76Å; I119-Y142 HydrophobicContact CG1-CE2 4.12Å; Y142-G144 PolarHBondContact O-N 3.17Å; Y142-K145 PolarHBondContact N-O 3.1Å; Y142-K145 PolarHBondContact O-N 3.18Å
143	D	98.2	Very high	98.1	Very high	63 Å²	63	56 Å²	56	34%	0.337	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.5	-175.4	-65.5	-20.7	0	0	0	113.2	Q111 H117 I118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.12Å; H117-D143 WeakPolarHBondContact CA-OD1 3.41Å; H117-D143 WeakPolarHBondContact CB-OD1 2.97Å; H117-D143 IonicContact CE1-OD2 3.61Å; H117-D143 IonicContact CG-OD1 2.81Å; H117-D143 IonicContact CG-OD2 3.2Å; H117-D143 IonicContact ND1-OD1 2.73Å; H117-D143 IonicContact ND1-OD2 2.73Å; H117-D143 PolarHBondContact ND1-OD2 2.79Å; I118-D143 PolarHBondContact N-OD1 3.23Å; I118-D143 PolarHBondContact O-N 2.73Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.85Å
144	G	97.2	Very high	98.2	Very high	59 Å²	59	54 Å²	54	61%	0.608	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	6.1	178	0	0	0	0	0	115.4	Y142	Y142-G144 PolarHBondContact O-N 3.17Å
145	K	98.5	Very high	98.3	Very high	161 Å²	161	51.2 Å²	51.2	70%	0.7	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.2	176.6	-61.9	-180	-177.6	178.2	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.38Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.42Å; Y142-K145 PolarHBondContact N-O 3.1Å; Y142-K145 PolarHBondContact O-N 3.18Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.85Å; K145-Y147 PolarHBondContact O-N 2.86Å
146	D	98.7	Very high	98.3	Very high	125 Å²	125	48 Å²	48	67%	0.668	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.3	136	174.2	-66.6	-31.2	0	0	0	110.7	A160	D146-A160 WeakPolarHBondContact O-CB 3.23Å
147	Y	98.8	Very high	98.4	Very high	11 Å²	11	48.3 Å²	48.3	4%	0.043	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-63.4	-179.1	179.2	-106.9	0	0	0	110.6	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.48Å; L105-Y147 HydrophobicContact CD2-CD2 4.06Å; L105-Y147 HydrophobicContact CD2-CE1 3.87Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.36Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.46Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.5Å; F140-Y147 HydrophobicContact CB-CD1 4.43Å; F140-Y147 WeakPolarHBondContact O-CB 3.45Å; F140-Y147 PolarHBondContact O-N 2.97Å; K145-Y147 PolarHBondContact O-N 2.86Å; Y147-A160 WeakPolarHBondContact O-CB 3.22Å; Y147-A160 PolarHBondContact O-N 3.04Å; Y147-A163 HydrophobicContact CE2-CB 4.39Å; Y147-A163 PolarHBondContact OH-O 2.93Å; Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 VanDerWaalsContact CZ-CA 3.48Å; Y147-A164 WeakPolarHBondContact O-CB 3.25Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.41Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	141.4	178.3	-161.3	173.4	0	0	0	110.2	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.41Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.15Å; F140-I148 HydrophobicContact CG-CG2 4.48Å; F140-I148 PolarHBondContact N-O 2.81Å; F140-I148 PolarHBondContact O-N 2.85Å; I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.39Å; I148-T158 WeakPolarHBondContact CG1-O 3.39Å; I148-T167 HydrophobicContact CD1-CG2 4.11Å; I148-Q168 HydrophobicContact CD1-CB 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.2Å; I148-W171 HydrophobicContact CD1-CZ3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 4.07Å; I148-W171 HydrophobicContact CG2-CZ3 3.75Å
149	A	98.8	Very high	98.4	Very high	30 Å²	30	52.2 Å²	52.2	25%	0.248	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.2	178.4	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.88Å; A149-W157 WeakPolarHBondContact O-CA 3.39Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.17Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	51.5 Å²	51.5	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.5	168.2	-175.7	67.7	0	0	0	108.5	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 3.97Å; D138-L150 HydrophobicContact CB-CD2 4.14Å; D138-L150 WeakPolarHBondContact O-CB 3.22Å; D138-L150 PolarHBondContact O-N 3.01Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; L150-W157 HydrophobicContact CB-CE3 4.09Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.73Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.23Å; L150-A177 HydrophobicContact CD1-CB 3.99Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	52.6 Å²	52.6	24%	0.235	31%	0.311	C	S	.	.			trans	-72.7	163.4	179.8	-67.7	-28.3	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.38Å; N151-L154 PolarHBondContact O-N 3.42Å; N151-S156 WeakPolarHBondContact CB-O 3.43Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 2.59Å; N151-S156 PolarHBondContact ND2-OG 2.82Å; N151-T158 PolarHBondContact ND2-OG1 3.02Å; N151-T158 WeakPolarHBondContact OD1-CB 3.25Å; N151-T158 PolarHBondContact OD1-OG1 3.34Å
152	E	97.3	Very high	98.4	Very high	138 Å²	138	57 Å²	57	65%	0.645	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.9	-178.7	-66.5	-179.3	-173.7	0	0	113.5	R135 L154	R135-E152 IonicContact CZ-OE1 2.8Å; R135-E152 IonicContact NH1-OE1 3.67Å; R135-E152 PolarHBondContact NH1-OE1 3.29Å; R135-E152 IonicContact NH2-OE1 3.85Å; R135-E152 PolarHBondContact NH2-OE1 2.85Å; E152-L154 PolarHBondContact O-N 2.95Å
153	D	97.6	Very high	98.3	Very high	81 Å²	81	56.8 Å²	56.8	43%	0.433	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.9	174.3	68.7	22.9	0	0	0	114.1	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.38Å; D153-S155 PolarHBondContact O-N 3.37Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.49Å; D153-S155 PolarHBondContact OD1-N 2.95Å; D153-S155 PolarHBondContact OD1-OG 3.46Å; D153-S155 PolarHBondContact OD2-OG 3.34Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.87Å; D153-S156 PolarHBondContact OD1-OG 2.91Å; D153-S156 WeakPolarHBondContact OD2-CB 3.4Å; D153-S156 PolarHBondContact OD2-OG 2.88Å
154	L	98.1	Very high	98.3	Very high	9 Å²	9	53.8 Å²	53.8	5%	0.047	32%	0.32	C	S	.	.	S	Bend	trans	53.9	28.2	-177.4	-52.5	-178.5	0	0	0	114.1	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.29Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; N151-L154 PolarHBondContact O-N 3.42Å; E152-L154 PolarHBondContact O-N 2.95Å; L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.96Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L154-E185 HydrophobicContact CD1-CG 4.15Å
155	S	97.8	Very high	98.4	Very high	71 Å²	71	54.5 Å²	54.5	50%	0.497	31%	0.307	S	S	.	.	S	Bend	trans	-138.5	-27	-174.8	69.9	0	0	0	0	113.5	D153 A177	D153-S155 PolarHBondContact O-N 3.37Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.49Å; D153-S155 PolarHBondContact OD1-N 2.95Å; D153-S155 PolarHBondContact OD1-OG 3.46Å; D153-S155 PolarHBondContact OD2-OG 3.34Å; S155-A177 WeakPolarHBondContact O-CB 3.25Å
156	S	98.1	Very high	98.4	Very high	38 Å²	38	49.6 Å²	49.6	27%	0.266	29%	0.288	S	S	.	.			trans	-118.6	164.2	-178	70	0	0	0	0	112.2	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.43Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 2.59Å; N151-S156 PolarHBondContact ND2-OG 2.82Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.87Å; D153-S156 PolarHBondContact OD1-OG 2.91Å; D153-S156 WeakPolarHBondContact OD2-CB 3.4Å; D153-S156 PolarHBondContact OD2-OG 2.88Å
157	W	98.8	Very high	98.4	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.045	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.7	-174.8	-61.1	93.3	0	0	0	111.6	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.39Å; L150-W157 HydrophobicContact CB-CE3 4.09Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.73Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.23Å; W157-Q168 HydrophobicContact CB-CG 4.06Å; W157-Q168 PolarHBondContact O-NE2 2.83Å; W157-W171 HydrophobicContact CD2-CE3 4.07Å; W157-W171 AromaticContact CE2-CE3 3.87Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 AromaticContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CH2-CD2 4.44Å; W157-W171 AromaticContact CH2-CE3 3.28Å; W157-W171 HydrophobicContact CH2-CE3 3.28Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CZ3 4.08Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.34Å; W157-W171 HydrophobicContact CZ3-CZ3 3.34Å; W157-V176 HydrophobicContact CH2-CG1 4.43Å; W157-V176 HydrophobicContact CZ2-CB 4.27Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W157-A177 HydrophobicContact CZ2-CB 4.22Å; W157-L180 HydrophobicContact CH2-CD1 3.4Å; W157-L180 VanDerWaalsContact CH2-CD1 3.4Å; W157-L180 HydrophobicContact CZ2-CD1 3.89Å; W157-L180 HydrophobicContact CZ3-CD1 4.5Å
158	T	98.8	Very high	98.4	Very high	80 Å²	80	45.8 Å²	45.8	49%	0.491	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.8	165.5	-66.1	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.39Å; I148-T158 WeakPolarHBondContact CG1-O 3.39Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.17Å; N151-T158 PolarHBondContact ND2-OG1 3.02Å; N151-T158 WeakPolarHBondContact OD1-CB 3.25Å; N151-T158 PolarHBondContact OD1-OG1 3.34Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	52.9 Å²	52.9	19%	0.19	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.1	175.3	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.44Å
160	A	98.6	Very high	98.4	Very high	62 Å²	62	56.8 Å²	56.8	51%	0.512	31%	0.306	S	S	.	.	S	Bend	trans	-74.3	-31.1	-176.2	0	0	0	0	0	113.3	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.23Å; Y147-A160 WeakPolarHBondContact O-CB 3.22Å; Y147-A160 PolarHBondContact O-N 3.04Å
161	D	98.4	Very high	98.4	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.283	31%	0.313	S	S	.	.	S	Bend	trans	-151.3	-175.5	-178.1	67.2	28.7	0	0	0	113.1	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.35Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.17Å; Y109-D161 PolarHBondContact OH-OD2 3.09Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.45Å; D161-A163 WeakPolarHBondContact OD1-CA 3.06Å; D161-A163 WeakPolarHBondContact OD1-CB 3.04Å; D161-A163 PolarHBondContact OD1-N 3.14Å; D161-A164 PolarHBondContact O-N 3.3Å; D161-A164 PolarHBondContact OD1-N 2.92Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 3.36Å
162	T	98.3	Very high	98.3	Very high	110 Å²	110	61.3 Å²	61.3	68%	0.675	32%	0.323	S	S	*	.	H	α-helix	trans	-65.4	-28	-179.3	51.3	0	0	0	0	113.9
163	A	98.2	Very high	98.4	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.033	33%	0.326	C	S	.	.	H	α-helix	trans	-73	-43.3	175.1	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.38Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.85Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.39Å; Y147-A163 PolarHBondContact OH-O 2.93Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.45Å; D161-A163 WeakPolarHBondContact OD1-CA 3.06Å; D161-A163 WeakPolarHBondContact OD1-CB 3.04Å; D161-A163 PolarHBondContact OD1-N 3.14Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.98Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.31Å; A163-I166 PolarHBondContact O-N 2.95Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-34.9	173.7	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 VanDerWaalsContact CZ-CA 3.48Å; Y147-A164 WeakPolarHBondContact O-CB 3.25Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 3.3Å; D161-A164 PolarHBondContact OD1-N 2.92Å; A164-I166 PolarHBondContact O-N 2.71Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 3.01Å; A164-Q168 PolarHBondContact O-N 3.34Å
165	Q	98.7	Very high	98.4	Very high	74 Å²	74	65 Å²	65	35%	0.346	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-28	173.4	-72.8	174.3	9.7	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 3.36Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.98Å; Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 2.96Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166	I	98.5	Very high	98.5	Very high	59 Å²	59	63 Å²	63	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-45.1	173.8	-57.3	170.2	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.08Å; Y108-I166 HydrophobicContact CE2-CB 4.3Å; Y108-I166 HydrophobicContact CE2-CG2 4.14Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.31Å; A163-I166 PolarHBondContact O-N 2.95Å; A164-I166 PolarHBondContact O-N 2.71Å; I166-K170 WeakPolarHBondContact O-CG 3.36Å; I166-K170 PolarHBondContact O-N 2.04Å
167	T	98.4	Very high	98.5	Very high	16 Å²	16	61.5 Å²	61.5	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-45.7	174.8	-69	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.41Å; I148-T167 HydrophobicContact CD1-CG2 4.11Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 3.01Å; T167-R169 PolarHBondContact O-N 2.84Å; T167-K170 WeakPolarHBondContact O-CB 3.42Å; T167-K170 PolarHBondContact O-N 2.77Å; T167-K170 VanDerWaalsContact O-N 3.12Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 4.09Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.2Å; T167-W171 HydrophobicContact CG2-CZ2 3.78Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 WeakPolarHBondContact O-CB 3.3Å; T167-W171 PolarHBondContact O-N 3.25Å
168	Q	98.7	Very high	98.5	Very high	39 Å²	39	66.1 Å²	66.1	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-51.9	-53.8	177.8	177.5	174.3	11.2	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.88Å; W157-Q168 HydrophobicContact CB-CG 4.06Å; W157-Q168 PolarHBondContact O-NE2 2.83Å; A159-Q168 HydrophobicContact CB-CB 4.44Å; A164-Q168 PolarHBondContact O-N 3.34Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.99Å; Q168-W171 PolarHBondContact O-N 3.21Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.04Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.17Å; Q168-E172 WeakPolarHBondContact O-CG 3.36Å; Q168-E172 PolarHBondContact O-N 3.06Å
169	R	98.7	Very high	98.4	Very high	153 Å²	153	69 Å²	69	58%	0.577	36%	0.36	S	S	*	.	H	α-helix	trans	-59.2	-39.6	179.7	-68.5	171.3	-166	149.4	8.4	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 2.96Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 2.84Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.19Å; R169-A173 PolarHBondContact O-N 3Å
170	K	98.4	Very high	98.4	Very high	112 Å²	112	68.9 Å²	68.9	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-42.6	176.6	-72.8	178.2	175.7	-174	0	111.4	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.93Å; I166-K170 WeakPolarHBondContact O-CG 3.36Å; I166-K170 PolarHBondContact O-N 2.04Å; T167-K170 WeakPolarHBondContact O-CB 3.42Å; T167-K170 PolarHBondContact O-N 2.77Å; T167-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.99Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.81Å
171	W	98.4	Very high	98.4	Very high	59 Å²	59	71 Å²	71	22%	0.223	35%	0.351	C	S	.	.	H	α-helix	trans	-73.4	-36.3	-178.2	-75.8	7.9	0	0	0	113	F140 I148 W157 T167 Q168 A174 R175 V176	F140-W171 AromaticContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CZ3 4.3Å; F140-W171 AromaticContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CH2 3.42Å; F140-W171 VanDerWaalsContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CZ2 4.45Å; F140-W171 HydrophobicContact CE2-CZ3 4.05Å; F140-W171 AromaticContact CZ-CH2 3.84Å; F140-W171 HydrophobicContact CZ-CH2 3.84Å; F140-W171 HydrophobicContact CZ-CZ2 4.48Å; I148-W171 HydrophobicContact CD1-CE3 4.2Å; I148-W171 HydrophobicContact CD1-CZ3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 4.07Å; I148-W171 HydrophobicContact CG2-CZ3 3.75Å; W157-W171 HydrophobicContact CD2-CE3 4.07Å; W157-W171 AromaticContact CE2-CE3 3.87Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 AromaticContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CH2-CD2 4.44Å; W157-W171 AromaticContact CH2-CE3 3.28Å; W157-W171 HydrophobicContact CH2-CE3 3.28Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CZ3 4.08Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.34Å; W157-W171 HydrophobicContact CZ3-CZ3 3.34Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 4.09Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.2Å; T167-W171 HydrophobicContact CG2-CZ2 3.78Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 WeakPolarHBondContact O-CB 3.3Å; T167-W171 PolarHBondContact O-N 3.25Å; Q168-W171 PolarHBondContact O-N 3.21Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.91Å; W171-R175 PolarHBondContact O-N 3.04Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.88Å; W171-V176 HydrophobicContact CD2-CG1 4.31Å; W171-V176 HydrophobicContact CG-CB 4.13Å; W171-V176 HydrophobicContact CG-CG1 4.42Å; W171-V176 HydrophobicContact CG-CG2 3.84Å; W171-V176 PolarHBondContact O-N 2.87Å
172	E	98.6	Very high	98.4	Very high	95 Å²	95	71.6 Å²	71.6	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-48.1	171.3	-72.8	169.7	173.6	0	0	110.8	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.04Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.17Å; Q168-E172 WeakPolarHBondContact O-CG 3.36Å; Q168-E172 PolarHBondContact O-N 3.06Å; E172-A174 PolarHBondContact O-N 3.05Å; E172-R175 PolarHBondContact O-N 3.3Å
173	A	98.4	Very high	98.4	Very high	87 Å²	87	69 Å²	69	72%	0.719	34%	0.342	S	S	*	.	H	α-helix	trans	-60.5	-35.2	176.7	0	0	0	0	0	112.7	R169	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.19Å; R169-A173 PolarHBondContact O-N 3Å
174	A	98.3	Very high	98.4	Very high	61 Å²	61	68.9 Å²	68.9	50%	0.504	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1.9	177.3	0	0	0	0	0	114.2	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.81Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.91Å; E172-A174 PolarHBondContact O-N 3.05Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.06Å; A174-V176 PolarHBondContact O-N 3.48Å
175	R	98.1	Very high	98.4	Very high	156 Å²	156	73.1 Å²	73.1	59%	0.589	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	39.9	-178.5	-61.4	174.8	172.9	-129.6	6.9	113.9	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.04Å; E172-R175 PolarHBondContact O-N 3.3Å; R175-A177 PolarHBondContact O-N 2.91Å; R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.5Å; R175-E178 IonicContact CZ-OE1 3.58Å; R175-E178 IonicContact NE-OE1 3.8Å; R175-E178 IonicContact NH1-OE1 3.88Å; R175-E178 PolarHBondContact NH1-OE1 2.83Å; R175-E178 IonicContact NH1-OE2 2.65Å; R175-E178 PolarHBondContact O-N 2.62Å; R175-E178 VanDerWaalsContact O-N 3.16Å
176	V	98.4	Very high	98.3	Very high	29 Å²	29	70.6 Å²	70.6	18%	0.176	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-35.4	-177.9	176	0	0	0	0	111.8	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.43Å; W157-V176 HydrophobicContact CZ2-CB 4.27Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.88Å; W171-V176 HydrophobicContact CD2-CG1 4.31Å; W171-V176 HydrophobicContact CG-CB 4.13Å; W171-V176 HydrophobicContact CG-CG1 4.42Å; W171-V176 HydrophobicContact CG-CG2 3.84Å; W171-V176 PolarHBondContact O-N 2.87Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.06Å; A174-V176 PolarHBondContact O-N 3.48Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.02Å; V176-Q179 PolarHBondContact O-N 3.03Å; V176-L180 HydrophobicContact CG1-CD1 3.87Å; V176-L180 HydrophobicContact CG1-CG 4.22Å; V176-L180 PolarHBondContact O-N 3.27Å
177	A	98.5	Very high	98.3	Very high	8 Å²	8	70.9 Å²	70.9	7%	0.066	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-37.6	178.6	0	0	0	0	0	112.6	L150 S155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.99Å; S155-A177 WeakPolarHBondContact O-CB 3.25Å; W157-A177 HydrophobicContact CZ2-CB 4.22Å; R175-A177 PolarHBondContact O-N 2.91Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.74Å; A177-L180 PolarHBondContact O-N 2.91Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.3Å; A177-R181 PolarHBondContact O-N 3.33Å
178	E	98.2	Very high	98.3	Very high	108 Å²	108	70.1 Å²	70.1	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-40.1	178	-63.5	177.5	-164.2	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.5Å; R175-E178 IonicContact CZ-OE1 3.58Å; R175-E178 IonicContact NE-OE1 3.8Å; R175-E178 IonicContact NH1-OE1 3.88Å; R175-E178 PolarHBondContact NH1-OE1 2.83Å; R175-E178 IonicContact NH1-OE2 2.65Å; R175-E178 PolarHBondContact O-N 2.62Å; R175-E178 VanDerWaalsContact O-N 3.16Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.02Å; E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 3.36Å
179	Q	97.5	Very high	98.3	Very high	140 Å²	140	68.5 Å²	68.5	65%	0.654	34%	0.344	S	S	*	.	H	α-helix	trans	-68.9	-43.3	177.8	-61.4	-179.2	4.1	0	0	111.9	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 3.03Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.74Å; Q179-A182 PolarHBondContact O-N 3.39Å; Q179-Y183 PolarHBondContact O-N 2.88Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180	L	98.1	Very high	98.2	Very high	22 Å²	22	66.8 Å²	66.8	12%	0.115	34%	0.343	C	S	.	.	H	α-helix	trans	-65.6	-43.2	177.7	-70.1	172.8	0	0	0	111.2	D138 L150 W157 V176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.21Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.43Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; W157-L180 HydrophobicContact CH2-CD1 3.4Å; W157-L180 VanDerWaalsContact CH2-CD1 3.4Å; W157-L180 HydrophobicContact CZ2-CD1 3.89Å; W157-L180 HydrophobicContact CZ3-CD1 4.5Å; V176-L180 HydrophobicContact CG1-CD1 3.87Å; V176-L180 HydrophobicContact CG1-CG 4.22Å; V176-L180 PolarHBondContact O-N 3.27Å; A177-L180 PolarHBondContact O-N 2.91Å; L180-A182 PolarHBondContact O-N 3.1Å; L180-Y183 WeakPolarHBondContact O-CB 3.31Å; L180-Y183 PolarHBondContact O-N 2.86Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.29Å
181	R	98.4	Very high	98.2	Very high	105 Å²	105	64.2 Å²	64.2	40%	0.396	33%	0.33	S	S	.	.	H	α-helix	trans	-57.1	-48.6	174.2	-178	178.9	175.2	161.8	12.9	111.5	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.96Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.3Å; A177-R181 PolarHBondContact O-N 3.33Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 2.91Å; R181-L184 PolarHBondContact O-N 3.12Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 WeakPolarHBondContact CG-OE2 3.16Å; R181-E185 IonicContact CZ-OE1 3.64Å; R181-E185 IonicContact CZ-OE2 2.85Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.78Å; R181-E185 PolarHBondContact NE-OE1 2.79Å; R181-E185 IonicContact NE-OE2 3.64Å; R181-E185 PolarHBondContact NE-OE2 2.87Å; R181-E185 IonicContact NH2-OE1 2.69Å; R181-E185 PolarHBondContact NH2-OE1 3.11Å; R181-E185 IonicContact NH2-OE2 3.81Å; R181-E185 WeakPolarHBondContact O-CB 3.25Å; R181-E185 PolarHBondContact O-N 2.65Å
182	A	98.4	Very high	98.2	Very high	67 Å²	67	61.4 Å²	61.4	55%	0.554	32%	0.32	S	S	*	.	H	α-helix	trans	-59.3	-38.2	177.8	0	0	0	0	0	112.5	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 3.36Å; Q179-A182 PolarHBondContact O-N 3.39Å; L180-A182 PolarHBondContact O-N 3.1Å; A182-G186 PolarHBondContact O-N 3.45Å; A182-G186 VanDerWaalsContact O-N 3.16Å
183	Y	98.3	Very high	98.2	Very high	55 Å²	55	62.6 Å²	62.6	22%	0.216	32%	0.32	C	S	.	.	I	π-helix	trans	-67.5	-47.9	173.4	170.6	-96.9	0	0	0	112.3	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.64Å; Y123-Y183 HydrophobicContact CE2-CE1 3.64Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å; Q179-Y183 PolarHBondContact O-N 2.88Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; L180-Y183 WeakPolarHBondContact O-CB 3.31Å; L180-Y183 PolarHBondContact O-N 2.86Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 2.91Å; Y183-G186 CarbonylContact O-C 3.53Å; Y183-G186 PolarHBondContact O-N 3.35Å; Y183-L187 HydrophobicContact CD2-CB 3.82Å; Y183-L187 HydrophobicContact CD2-CD1 4.17Å; Y183-L187 HydrophobicContact CE2-CB 4.03Å; Y183-L187 PolarHBondContact O-N 2.72Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.41Å; Y183-C188 PolarHBondContact O-N 2.86Å
184	L	98.5	Very high	98.1	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	31%	0.308	C	S	.	.	I	π-helix	trans	-69.9	-39.3	-174	-70.8	171.9	0	0	0	112.5	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.35Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.29Å; R181-L184 PolarHBondContact O-N 3.12Å; L184-V189 WeakPolarHBondContact O-CG2 3.45Å
185	E	98	Very high	98.1	Very high	88 Å²	88	61.4 Å²	61.4	41%	0.411	28%	0.284	S	S	.	.	I	π-helix	trans	-79.7	-24.2	176.7	-68.5	179.7	159.5	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L154-E185 HydrophobicContact CD1-CG 4.15Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 WeakPolarHBondContact CG-OE2 3.16Å; R181-E185 IonicContact CZ-OE1 3.64Å; R181-E185 IonicContact CZ-OE2 2.85Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.78Å; R181-E185 PolarHBondContact NE-OE1 2.79Å; R181-E185 IonicContact NE-OE2 3.64Å; R181-E185 PolarHBondContact NE-OE2 2.87Å; R181-E185 IonicContact NH2-OE1 2.69Å; R181-E185 PolarHBondContact NH2-OE1 3.11Å; R181-E185 IonicContact NH2-OE2 3.81Å; R181-E185 WeakPolarHBondContact O-CB 3.25Å; R181-E185 PolarHBondContact O-N 2.65Å
186	G	97.8	Very high	98	Very high	21 Å²	21	54.6 Å²	54.6	22%	0.216	26%	0.259	C	S	.	.	I	π-helix	trans	-107	-93.7	-178.5	0	0	0	0	0	112.9	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.45Å; A182-G186 VanDerWaalsContact O-N 3.16Å; Y183-G186 CarbonylContact O-C 3.53Å; Y183-G186 PolarHBondContact O-N 3.35Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.24Å; G186-V189 WeakPolarHBondContact O-CB 3.35Å; G186-V189 PolarHBondContact O-N 3Å; G186-V189 VanDerWaalsContact O-N 3.08Å; G186-E190 WeakPolarHBondContact O-CG 3.49Å; G186-E190 PolarHBondContact O-N 2.6Å
187	L	97.7	Very high	97.9	Very high	65 Å²	65	59 Å²	59	34%	0.34	28%	0.278	S	S	.	.	I	π-helix	trans	-55.6	-39.6	-169.8	-70.7	176.9	0	0	0	113.5	Y183 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.82Å; Y183-L187 HydrophobicContact CD2-CD1 4.17Å; Y183-L187 HydrophobicContact CE2-CB 4.03Å; Y183-L187 PolarHBondContact O-N 2.72Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; L187-E190 PolarHBondContact O-N 3.11Å; L187-W191 WeakPolarHBondContact O-CB 3.38Å; L187-W191 PolarHBondContact O-N 3.05Å
188	C	98.4	Very high	97.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-47.9	179	-171	0	0	0	0	111.1	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 WeakPolarHBondContact CE-SG 3.46Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 2.86Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.88Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.41Å; Y183-C188 PolarHBondContact O-N 2.86Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.24Å; C188-W191 PolarHBondContact O-N 3.25Å; C188-L192 WeakPolarHBondContact O-CB 3.26Å; C188-L192 PolarHBondContact O-N 2.89Å
189	V	98.3	Very high	97.8	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-45.3	178	177.6	0	0	0	0	111.1	L127 L133 L184 G186 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.42Å; L127-V189 HydrophobicContact CD2-CB 4.21Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.02Å; L184-V189 WeakPolarHBondContact O-CG2 3.45Å; G186-V189 WeakPolarHBondContact O-CB 3.35Å; G186-V189 PolarHBondContact O-N 3Å; G186-V189 VanDerWaalsContact O-N 3.08Å; V189-L192 PolarHBondContact O-N 2.91Å; V189-R193 WeakPolarHBondContact O-CG 3.23Å; V189-R193 PolarHBondContact O-N 2.85Å
190	E	98.1	Very high	97.6	Very high	117 Å²	117	54.6 Å²	54.6	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-47.7	179.4	-71.1	175.7	179.8	0	0	112	G186 L187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.49Å; G186-E190 PolarHBondContact O-N 2.6Å; L187-E190 PolarHBondContact O-N 3.11Å; E190-R193 PolarHBondContact O-N 3.25Å; E190-R194 PolarHBondContact O-N 3.32Å; E190-R194 VanDerWaalsContact O-N 3.07Å
191	W	98.2	Very high	97.3	Very high	59 Å²	59	61.5 Å²	61.5	22%	0.223	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-42.8	178.7	-82.1	111.1	0	0	0	112.2	M29 Y83 L187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.42Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.11Å; Y83-W191 AromaticContact CD2-CZ3 3.97Å; Y83-W191 HydrophobicContact CD2-CZ3 3.97Å; Y83-W191 HydrophobicContact CE2-CE3 4.45Å; Y83-W191 AromaticContact CE2-CH2 3.95Å; Y83-W191 HydrophobicContact CE2-CH2 3.95Å; Y83-W191 HydrophobicContact CE2-CZ2 4.38Å; Y83-W191 AromaticContact CE2-CZ3 3.97Å; Y83-W191 HydrophobicContact CE2-CZ3 3.97Å; L187-W191 WeakPolarHBondContact O-CB 3.38Å; L187-W191 PolarHBondContact O-N 3.05Å; C188-W191 PolarHBondContact O-N 3.25Å; W191-R193 PolarHBondContact O-N 2.97Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 3.15Å; W191-Y195 HydrophobicContact CB-CE2 4Å; W191-Y195 HydrophobicContact CD2-CE1 4.49Å; W191-Y195 HydrophobicContact CE3-CD1 4.36Å; 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 4.33Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.12Å; W191-Y195 PolarHBondContact O-N 3.05Å
192	L	98.4	Very high	97.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-44.7	177.1	175.2	50.9	0	0	0	111.3	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.37Å; M29-L192 HydrophobicContact SD-CB 4.49Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.25Å; C188-L192 WeakPolarHBondContact O-CB 3.26Å; C188-L192 PolarHBondContact O-N 2.89Å; V189-L192 PolarHBondContact O-N 2.91Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.25Å; L192-Y195 PolarHBondContact O-N 2.88Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.22Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 3.2Å
193	R	97.3	Very high	96.8	Very high	119 Å²	119	55.5 Å²	55.5	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-59.5	-43.9	174.5	-71.9	177	-172.9	150.1	-1	112.3	L127 G131 V189 E190 W191 Y195 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.99Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 3.4Å; G131-R193 PolarHBondContact O-NH2 3.11Å; V189-R193 WeakPolarHBondContact O-CG 3.23Å; V189-R193 PolarHBondContact O-N 2.85Å; E190-R193 PolarHBondContact O-N 3.25Å; W191-R193 PolarHBondContact O-N 2.97Å; R193-Y195 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 2.88Å; R193-E197 PolarHBondContact O-N 3.5Å
194	R	97.4	Very high	96.5	Very high	122 Å²	122	57.3 Å²	57.3	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-44.1	176.1	177.6	177.2	173.6	126.4	-4.5	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.72Å; E79-R194 IonicContact OE1-NE 2.95Å; E79-R194 PolarHBondContact OE1-NE 2.92Å; E79-R194 IonicContact OE1-NH2 3.38Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 3.81Å; E79-R194 IonicContact OE2-NE 2.96Å; E79-R194 IonicContact OE2-NH2 2.98Å; E79-R194 PolarHBondContact OE2-NH2 3.48Å; E190-R194 PolarHBondContact O-N 3.32Å; E190-R194 VanDerWaalsContact O-N 3.07Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 3.15Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.25Å; R194-E197 PolarHBondContact O-N 3.43Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 2.85Å; R194-N198 PolarHBondContact O-OD1 3.47Å
195	Y	97.9	Very high	96.3	Very high	1 Å²	1	62.9 Å²	62.9	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-67.1	-39.5	178.7	-61.4	-26.4	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å; W75-Y195 HydrophobicContact CE3-CD1 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.67Å; W75-Y195 HydrophobicContact CZ3-CG 3.67Å; I76-Y195 HydrophobicContact CD1-CD1 3.84Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y195 PolarHBondContact OH-OH 3.23Å; W191-Y195 HydrophobicContact CB-CE2 4Å; W191-Y195 HydrophobicContact CD2-CE1 4.49Å; W191-Y195 HydrophobicContact CE3-CD1 4.36Å; 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 4.33Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.12Å; W191-Y195 PolarHBondContact O-N 3.05Å; L192-Y195 PolarHBondContact O-N 2.88Å; R193-Y195 PolarHBondContact O-N 2.85Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.84Å; Y195-N198 PolarHBondContact O-N 3.28Å; Y195-G199 WeakPolarHBondContact O-CA 3.46Å; Y195-G199 PolarHBondContact O-N 2.78Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å
196	L	96.8	Very high	96.1	Very high	14 Å²	14	60.1 Å²	60.1	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-35.9	174.7	-71.1	169.8	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.46Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.22Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 3.2Å; R193-L196 PolarHBondContact O-N 2.88Å; L196-K200 WeakPolarHBondContact O-CA 3.43Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 3.41Å; L196-K200 VanDerWaalsContact O-N 3.1Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 HydrophobicContact CD2-CG 4.47Å; L196-Q204 PolarHBondContact O-NE2 3.39Å
197	E	96.3	Very high	96.1	Very high	121 Å²	121	60.9 Å²	60.9	57%	0.565	28%	0.279	S	S	*	.	H	α-helix	trans	-72	-49.8	174.6	-171.9	58.9	-152.7	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.5Å; R194-E197 PolarHBondContact O-N 3.43Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.84Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.01Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.19Å
198	N	97	Very high	96.1	Very high	52 Å²	52	61 Å²	61	28%	0.278	28%	0.283	S	S	.	.	H	α-helix	trans	-57.9	-38.8	178.3	-78.1	1.3	0	0	0	112.9	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.25Å; Q78-N198 PolarHBondContact NE2-ND2 3.11Å; E79-N198 PolarHBondContact OE1-ND2 3.16Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 2.85Å; R194-N198 PolarHBondContact O-OD1 3.47Å; Y195-N198 PolarHBondContact O-N 3.28Å
199	G	96.1	Very high	96.1	Very high	3 Å²	3	61.4 Å²	61.4	3%	0.031	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	14.4	-176.4	0	0	0	0	0	114.2	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.46Å; Y195-G199 PolarHBondContact O-N 2.78Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.01Å; G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.4Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.21Å; G199-T202 PolarHBondContact O-N 3.08Å; G199-T202 PolarHBondContact O-OG1 3.19Å; G199-L203 PolarHBondContact O-N 3.07Å
200	K	94.3	Very high	96.1	Very high	109 Å²	109	68.6 Å²	68.6	47%	0.474	32%	0.317	S	S	.	.	H	α-helix	trans	-48.9	-44.8	-169.1	-177.6	173.3	-174.1	172.6	0	115.1	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.43Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 3.41Å; L196-K200 VanDerWaalsContact O-N 3.1Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.19Å; K200-T202 PolarHBondContact O-N 3.02Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-Q204 WeakPolarHBondContact O-CB 3.19Å; K200-Q204 PolarHBondContact O-N 3.49Å
201	E	92.3	Very high	96.1	Very high	167 Å²	167	64.7 Å²	64.7	78%	0.78	30%	0.301	S	S	*	.	H	α-helix	trans	-62.6	-23.2	179.6	-62.2	-173.4	164	0	0	113.6	G199 R205	G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.4Å; G199-E201 VanDerWaalsContact O-N 3.16Å; E201-R205 WeakPolarHBondContact O-CB 3.37Å; E201-R205 PolarHBondContact O-NH1 3.04Å
202	T	92.7	Very high	96.1	Very high	42 Å²	42	65.8 Å²	65.8	26%	0.258	31%	0.309	S	S	.	.	H	α-helix	trans	-100.5	-70.4	176.8	54.5	0	0	0	0	110	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.21Å; G199-T202 PolarHBondContact O-N 3.08Å; G199-T202 PolarHBondContact O-OG1 3.19Å; K200-T202 PolarHBondContact O-N 3.02Å; K200-T202 VanDerWaalsContact O-N 3.16Å; T202-Q204 VanDerWaalsContact C-N 3.3Å; T202-Q204 PolarHBondContact O-N 3.04Å; T202-R205 WeakPolarHBondContact O-CB 3.47Å; T202-R205 PolarHBondContact O-N 3.19Å; T202-R263 VanDerWaalsContact CA-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 3.47Å; T202-R263 PolarHBondContact O-NH2 3.11Å
203	L	93.5	Very high	96.1	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-32.5	-167.7	-61.5	172.1	0	0	0	114.2	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CG 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.14Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 PolarHBondContact O-N 3.07Å
204	Q	91.9	Very high	96	Very high	93 Å²	93	62.9 Å²	62.9	44%	0.435	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	12.5	179.4	-58.4	-179	36.9	0	0	112.8	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.47Å; L196-Q204 PolarHBondContact O-NE2 3.39Å; K200-Q204 WeakPolarHBondContact O-CB 3.19Å; K200-Q204 PolarHBondContact O-N 3.49Å; T202-Q204 VanDerWaalsContact C-N 3.3Å; T202-Q204 PolarHBondContact O-N 3.04Å
205	R	93.4	Very high	96	Very high	119 Å²	119	59.6 Å²	59.6	45%	0.449	29%	0.294	S	S	.	.			trans	-106.9	116.9	176.7	-170	-177	78.7	-146.1	3.5	110.1	E201 T202 D207 Y233	E201-R205 WeakPolarHBondContact O-CB 3.37Å; E201-R205 PolarHBondContact O-NH1 3.04Å; T202-R205 WeakPolarHBondContact O-CB 3.47Å; T202-R205 PolarHBondContact O-N 3.19Å; R205-D207 IonicContact CZ-OD1 3.06Å; R205-D207 IonicContact CZ-OD2 3.64Å; R205-D207 IonicContact NE-OD1 2.71Å; R205-D207 PolarHBondContact NE-OD1 3.35Å; R205-D207 IonicContact NE-OD2 3.91Å; R205-D207 IonicContact NH2-OD1 3.35Å; R205-D207 IonicContact NH2-OD2 3.73Å; R205-D207 PolarHBondContact NH2-OD2 3.16Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.21Å
206	A	95.2	Very high	95.8	Very high	30 Å²	30	63.4 Å²	63.4	25%	0.248	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-85.8	126.2	167.1	0	0	0	0	0	110.1	Y233 E288	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; A206-E288 HydrophobicContact CB-CB 4.47Å; A206-E288 HydrophobicContact CB-CG 4.36Å
207	D	96.8	Very high	95.7	Very high	37 Å²	37	67.5 Å²	67.5	20%	0.198	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-100	116.5	175.3	-67.6	-32.5	0	0	0	107.6	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.06Å; R205-D207 IonicContact CZ-OD2 3.64Å; R205-D207 IonicContact NE-OD1 2.71Å; R205-D207 PolarHBondContact NE-OD1 3.35Å; R205-D207 IonicContact NE-OD2 3.91Å; R205-D207 IonicContact NH2-OD1 3.35Å; R205-D207 IonicContact NH2-OD2 3.73Å; R205-D207 PolarHBondContact NH2-OD2 3.16Å; D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.28Å; D207-F232 WeakPolarHBondContact O-CB 3.48Å; D207-Y233 PolarHBondContact N-O 3.3Å; D207-Y233 PolarHBondContact O-N 3.1Å; D207-H287 PolarHBondContact O-CE1 3.41Å; D207-H287 VanDerWaalsContact O-CE1 3.32Å
208	P	97.8	Very high	95.5	Very high	66 Å²	66	66.3 Å²	66.3	43%	0.429	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-70.1	150	-175.8	24.7	-32.5	0	0	0	112.7	G289 L290	P208-G289 WeakPolarHBondContact CB-O 3.14Å; P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.44Å
209	P	98.3	Very high	95.2	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.058	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-67.6	135.7	179.1	28.4	-35.3	0	0	0	112.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.26Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.14Å; P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	98.4	Very high	94.9	Very high	157 Å²	157	73.5 Å²	73.5	68%	0.683	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	110.1	163.4	-63.6	174.2	-173.3	169.9	0	108.1	L230	K210-L230 PolarHBondContact N-O 3.32Å; K210-L230 PolarHBondContact O-N 3.41Å
211	T	98.3	Very high	94.9	Very high	35 Å²	35	75.2 Å²	75.2	22%	0.215	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.4	-171.8	54	0	0	0	0	112.8	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.26Å; T211-W228 WeakPolarHBondContact CA-O 3.24Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 3.99Å; T211-L294 HydrophobicContact CG2-CD1 4.29Å; T211-L296 HydrophobicContact CG2-CD1 4.45Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.45Å
212	H	97.4	Very high	95.1	Very high	82 Å²	82	71.7 Å²	71.7	38%	0.38	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	160	171.1	64.4	-75.3	0	0	0	110.8	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.98Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.88Å; H212-W228 AromaticContact NE2-CD1 3.58Å; H212-W228 AromaticContact NE2-CG 3.77Å; H212-W228 PolarHBondContact O-N 3.22Å
213	V	98.3	Very high	95.2	Very high	21 Å²	21	69.7 Å²	69.7	13%	0.127	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.8	176.8	-179.2	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; V213-R226 WeakPolarHBondContact CA-O 3.44Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; V213-L296 HydrophobicContact CG2-CB 3.83Å; V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	97	Very high	95.4	Very high	36 Å²	36	70.6 Å²	70.6	22%	0.221	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.3	174.3	48.7	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.19Å; T214-L225 WeakPolarHBondContact O-CA 3.5Å; T214-R226 PolarHBondContact N-O 2.95Å; T214-R226 PolarHBondContact O-N 3.49Å; T214-R226 PolarHBondContact OG1-O 2.93Å; T214-W228 PolarHBondContact OG1-NE1 2.85Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å
215	H	96.3	Very high	95.7	Very high	53 Å²	53	66.1 Å²	66.1	25%	0.245	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.2	-178.2	169.3	-91.3	0	0	0	109.5	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 2.79Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 HydrophobicContact CB-CG 4.1Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.94Å
216	H	94.8	Very high	95.9	Very high	82 Å²	82	62.9 Å²	62.9	38%	0.38	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	105.9	-178.9	-57.9	83.4	0	0	0	109	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.19Å; H216-V218 PolarHBondContact O-N 3.08Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.5Å; H216-T224 PolarHBondContact N-O 3.33Å; H216-T224 PolarHBondContact O-N 2.85Å; H216-R226 PolarHBondContact CE1-NH1 3.44Å
217	P	93.7	Very high	96.1	Very high	100 Å²	100	61.5 Å²	61.5	65%	0.649	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	131.6	172.6	-20.4	30.8	0	0	0	110.5
218	V	91.4	Very high	96.2	Very high	95 Å²	95	62.1 Å²	62.1	58%	0.576	32%	0.323	S	S	*	.			trans	-104.4	-40.9	176.1	-179.2	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.08Å; V218-E222 PolarHBondContact N-O 2.82Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.36Å
219	S	92.5	Very high	96.2	Very high	55 Å²	55	59 Å²	59	39%	0.385	30%	0.303	S	S	.	.	S	Bend	trans	-147.9	-178.5	174.5	72.2	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.47Å; S219-H221 PolarHBondContact OG-N 3.42Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; S219-E222 PolarHBondContact N-O 3.06Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.18Å
220	D	89.8	Confident	96.2	Very high	151 Å²	151	61.1 Å²	61.1	81%	0.807	31%	0.313	S	S	*	.	S	Bend	trans	-62.9	-20.3	172.5	-66	-22.3	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 3.35Å; D220-S275 VanDerWaalsContact O-OG 3.06Å
221	H	93.4	Very high	96.2	Very high	146 Å²	146	54.8 Å²	54.8	68%	0.676	29%	0.293	S	S	*	.	S	Bend	trans	-106.2	-16.1	-174.3	-55.8	-48.9	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.47Å; S219-H221 PolarHBondContact OG-N 3.42Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; H221-P274 CarbonylContact O-C 3.44Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; H221-S275 PolarHBondContact O-N 3.34Å; H221-S275 PolarHBondContact O-OG 2.9Å
222	E	95.3	Very high	96.2	Very high	92 Å²	92	53.1 Å²	53.1	43%	0.43	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.6	-171.7	-65.8	-179.4	168.4	0	0	112.6	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.82Å; S219-E222 PolarHBondContact N-O 3.06Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.18Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.49Å; E222-S275 PolarHBondContact N-OG 3.29Å
223	A	96.1	Very high	96.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.6	171.4	0	0	0	0	0	111.1	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.5Å; A223-V272 WeakPolarHBondContact O-CA 3.26Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 PolarHBondContact O-N 3.26Å
224	T	97.7	Very high	96.1	Very high	22 Å²	22	49.2 Å²	49.2	14%	0.135	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.8	170.5	-55.2	0	0	0	0	109.7	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.33Å; H216-T224 PolarHBondContact O-N 2.85Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.36Å; T224-A270 HydrophobicContact CG2-CB 3.94Å; T224-V271 WeakPolarHBondContact CA-O 3.18Å
225	L	98.1	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.3	165.5	-63.8	-175.4	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; T214-L225 WeakPolarHBondContact O-CA 3.5Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.73Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.46Å; L225-V271 HydrophobicContact CB-CG1 4.22Å; L225-V271 PolarHBondContact N-O 2.93Å; L225-V271 PolarHBondContact O-N 3.29Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.16Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 3.99Å
226	R	98.4	Very high	96.1	Very high	51 Å²	51	51.3 Å²	51.3	19%	0.192	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.7	176.9	-175.1	178.8	-65.9	113.3	2.1	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.44Å; T214-R226 PolarHBondContact N-O 2.95Å; T214-R226 PolarHBondContact O-N 3.49Å; T214-R226 PolarHBondContact OG1-O 2.93Å; H216-R226 PolarHBondContact CE1-NH1 3.44Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.31Å; R226-A270 HydrophobicContact CB-CB 4.11Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227	C	98.4	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.5	174.5	-172.3	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.31Å; C227-A269 PolarHBondContact N-O 2.86Å; C227-A269 PolarHBondContact O-N 3.41Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.34Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.83Å
228	W	98.6	Very high	96.4	Very high	50 Å²	50	45.3 Å²	45.3	19%	0.189	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.3	-180	-70.8	89.1	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.24Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.98Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.88Å; H212-W228 AromaticContact NE2-CD1 3.58Å; H212-W228 AromaticContact NE2-CG 3.77Å; H212-W228 PolarHBondContact O-N 3.22Å; T214-W228 PolarHBondContact OG1-NE1 2.85Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.23Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å
229	A	98.7	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.2	163	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.32Å; A229-K267 PolarHBondContact N-O 3.44Å; A229-K267 PolarHBondContact O-N 3.34Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.6	Very high	97	Very high	54 Å²	54	40.4 Å²	40.4	28%	0.283	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.8	-174.4	-59.2	177	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.32Å; K210-L230 PolarHBondContact O-N 3.41Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-F232 PolarHBondContact O-N 2.8Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	98	Very high	97.4	Very high	24 Å²	24	33.3 Å²	33.3	25%	0.247	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.7	29.3	167.2	0	0	0	0	0	114.1	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; G231-F265 PolarHBondContact N-O 3.43Å
232	F	98.2	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	155.3	-179	59.3	-89.4	0	0	0	113	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.28Å; D207-F232 WeakPolarHBondContact O-CB 3.48Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.14Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; L230-F232 PolarHBondContact O-N 2.8Å; F232-P234 WeakPolarHBondContact CD2-O 3.39Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.88Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3.48Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.31Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.44Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 2.9Å; F232-F265 PolarHBondContact O-N 3.16Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.68Å
233	Y	96.9	Very high	97.7	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-149.6	136.7	171.9	177.8	-84.9	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 3.4Å; T55-Y233 PolarHBondContact OG1-OH 2.78Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.21Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; D207-Y233 PolarHBondContact N-O 3.3Å; D207-Y233 PolarHBondContact O-N 3.1Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.32Å; Y233-R263 HydrophobicContact CD2-CG 3.97Å; Y233-R263 HydrophobicContact CE2-CG 4.16Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; Y233-H287 PolarHBondContact O-CE1 2.8Å
234	P	96.3	Very high	97.7	Very high	17 Å²	17	32.1 Å²	32.1	11%	0.11	17%	0.165	C	C	.	.	S	Bend	cis	-71.8	179	2.2	30.4	-36.5	0	0	0	113.4	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 2.94Å; F232-P234 WeakPolarHBondContact CD2-O 3.39Å; P234-E236 VanDerWaalsContact C-N 3.34Å; P234-H287 PolarHBondContact O-NE2 3.3Å; P234-E288 WeakPolarHBondContact CG-OE2 3.4Å
235	A	97.3	Very high	97.4	Very high	14 Å²	14	33.5 Å²	33.5	12%	0.116	18%	0.184	C	C	.	.	S	Bend	trans	-70.5	-28.5	-175.3	0	0	0	0	0	113.6	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 PolarHBondContact OD2-N 2.94Å; A235-I237 PolarHBondContact O-N 2.85Å; A235-T257 HydrophobicContact CB-CG2 4.38Å; A235-T257 WeakPolarHBondContact O-CG2 3.49Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.63Å
236	E	96.4	Very high	97.3	Very high	119 Å²	119	40.4 Å²	40.4	56%	0.556	22%	0.216	S	C	*	.			trans	-62.6	126	178.8	-168.4	64.6	-147.9	0	0	109.1	W23 P234 H287	W23-E236 HydrophobicContact CE3-CB 4.37Å; W23-E236 HydrophobicContact CE3-CG 4.15Å; W23-E236 HydrophobicContact CH2-CB 4Å; W23-E236 HydrophobicContact CH2-CG 3.2Å; W23-E236 HydrophobicContact CZ2-CG 3.9Å; W23-E236 HydrophobicContact CZ3-CB 3.59Å; W23-E236 HydrophobicContact CZ3-CG 3.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.47Å; P234-E236 VanDerWaalsContact C-N 3.34Å; E236-H287 PolarHBondContact O-CD2 3.31Å
237	I	97.3	Very high	97.1	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.046	23%	0.232	C	C	.	.			trans	-160	143.6	-177.9	-165.3	171.2	0	0	0	109.3	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.88Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; A235-I237 PolarHBondContact O-N 2.85Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.49Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.1Å
238	T	97.7	Very high	96.9	Very high	47 Å²	47	43.8 Å²	43.8	29%	0.288	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123	174.2	-61	0	0	0	0	110.6	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.08Å; T238-V285 WeakPolarHBondContact O-CA 3.4Å; T238-Q286 PolarHBondContact N-O 3.1Å; T238-Q286 PolarHBondContact O-N 3.16Å
239	L	97.9	Very high	96.5	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.6	172.6	-87	63.6	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; L239-H284 WeakPolarHBondContact CA-O 3.48Å; L239-V285 HydrophobicContact CD1-CG1 4.1Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.7	Very high	96	Very high	41 Å²	41	55.5 Å²	55.5	25%	0.252	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.6	178.2	49.4	0	0	0	0	111.1	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.08Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.36Å; T240-H284 PolarHBondContact N-O 3.2Å; T240-H284 PolarHBondContact O-N 3.37Å; T240-H284 WeakPolarHBondContact OG1-CB 3.13Å
241	W	98.3	Very high	95.4	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.6	169.9	-82.8	106.3	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; L225-W241 HydrophobicContact CB-CH2 3.73Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.88Å; W241-A269 PolarHBondContact NE1-O 2.82Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.65Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; W241-T282 WeakPolarHBondContact CA-O 3.25Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.9	Very high	95.3	Very high	42 Å²	42	58.1 Å²	58.1	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.2	171.5	-69.2	-173.9	-8.6	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.44Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.14Å; Q242-D247 PolarHBondContact NE2-OD1 3.48Å; Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; Q242-T282 PolarHBondContact N-O 3.25Å; Q242-T282 PolarHBondContact O-N 3.41Å; Q242-H284 PolarHBondContact OE1-NE2 2.82Å
243	R	97.5	Very high	95.2	Very high	71 Å²	71	63.5 Å²	63.5	27%	0.268	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.6	168.5	-176.4	-171.8	-175.7	-179.6	0.3	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.25Å; R243-E246 PolarHBondContact N-O 2.87Å; R243-E246 PolarHBondContact O-N 2.72Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; R243-E277 IonicContact CZ-OE2 2.62Å; R243-E277 IonicContact NE-OE2 2.65Å; R243-E277 IonicContact NH2-OE1 3.1Å; R243-E277 IonicContact NH2-OE2 2.8Å; R243-E277 PolarHBondContact NH2-OE2 3.03Å; R243-R280 WeakPolarHBondContact CA-O 3.35Å; R243-R280 HydrophobicContact CG-CB 4.4Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.06Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244	D	95.6	Very high	95.2	Very high	100 Å²	100	67.5 Å²	67.5	54%	0.535	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	29.1	-175.2	-54	-49.3	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 3.27Å; D244-R280 IonicContact OD1-NE 3.13Å; D244-R280 PolarHBondContact OD1-NE 2.93Å; D244-R280 IonicContact OD2-CZ 3.58Å; D244-R280 IonicContact OD2-NE 3.93Å; D244-R280 PolarHBondContact OD2-NE 2.94Å; D244-R280 IonicContact OD2-NH2 3.03Å; D244-R280 PolarHBondContact OD2-NH2 2.99Å
245	G	91.7	Very high	95.2	Very high	51 Å²	51	68.4 Å²	68.4	53%	0.526	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-0.5	-177.7	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.25Å
246	E	95.6	Very high	95.2	Very high	145 Å²	145	76 Å²	76	68%	0.678	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.4	175.8	-62.8	-173.4	171.1	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.44Å; R243-E246 PolarHBondContact N-O 2.87Å; R243-E246 PolarHBondContact O-N 2.72Å; E246-Q248 PolarHBondContact O-NE2 2.81Å
247	D	95.1	Very high	95.3	Very high	96 Å²	96	72.4 Å²	72.4	51%	0.513	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	134.7	-179.2	-68.6	-25.8	0	0	0	112.3	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.14Å; Q242-D247 PolarHBondContact NE2-OD1 3.48Å
248	Q	94.8	Very high	95.3	Very high	26 Å²	26	76.8 Å²	76.8	12%	0.121	40%	0.398	C	S	.	.			trans	-105.1	36.1	-177.2	-57.9	-61.4	-71.2	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.88Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; E246-Q248 PolarHBondContact O-NE2 2.81Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.07Å; Q248-D251 PolarHBondContact O-N 3.46Å; Q248-T252 WeakPolarHBondContact O-CB 3.38Å; Q248-T252 PolarHBondContact O-N 2.84Å; Q248-T252 PolarHBondContact O-OG1 2.95Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å
249	T	88.6	Confident	95.3	Very high	106 Å²	106	79 Å²	79	65%	0.65	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.2	-169.1	-48.4	0	0	0	0	114
250	Q	88.6	Confident	95.3	Very high	191 Å²	191	81 Å²	81	89%	0.893	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-31.7	-178.5	-67	-174.3	4.9	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.07Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	87.1	Confident	95	Very high	109 Å²	109	82.8 Å²	82.8	58%	0.583	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	1.6	-177.7	-56.1	-53.8	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.46Å
252	T	94.6	Very high	94.8	Very high	24 Å²	24	87.9 Å²	87.9	15%	0.147	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.1	179.8	-63.3	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.38Å; Q248-T252 PolarHBondContact O-N 2.84Å; Q248-T252 PolarHBondContact O-OG1 2.95Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.12Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.46Å
253	E	96.8	Very high	94.5	Very high	113 Å²	113	88.9 Å²	88.9	53%	0.528	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	108.6	163.6	-173.6	-173.9	-172	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.44Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.03Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.43Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.49Å; E253-A270 PolarHBondContact O-N 3.19Å
254	L	96.9	Very high	94.5	Very high	88 Å²	88	86.3 Å²	86.3	46%	0.461	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.7	178.7	-173.9	68.8	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.12Å; L254-K267 HydrophobicContact CD1-CD 4.45Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
255	V	96.8	Very high	94.7	Very high	36 Å²	36	82.7 Å²	82.7	22%	0.218	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-83	153.9	175.3	-65.1	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.33Å; V255-K267 WeakPolarHBondContact O-CG 3.35Å; V255-K267 PolarHBondContact O-NZ 3.15Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.45Å; V255-W268 PolarHBondContact N-O 3.22Å
256	E	97	Very high	95	Very high	172 Å²	172	82.5 Å²	82.5	80%	0.804	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.3	147.5	167.3	-67.5	-174.7	169.4	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.26Å
257	T	98.1	Very high	95.1	Very high	44 Å²	44	76.6 Å²	76.6	27%	0.27	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-68.2	130	173.9	-56.4	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; A235-T257 HydrophobicContact CB-CG2 4.38Å; A235-T257 WeakPolarHBondContact O-CG2 3.49Å; T257-F265 HydrophobicContact CG2-CB 3.75Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 3.15Å
258	R	97.7	Very high	95.3	Very high	102 Å²	102	73.3 Å²	73.3	39%	0.385	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.7	-175.2	67.9	-169.7	-179.1	-178.3	4.3	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.26Å; R258-F265 WeakPolarHBondContact O-CA 3.43Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 2.87Å; R258-Q266 WeakPolarHBondContact O-CG 3.4Å; R258-Q266 PolarHBondContact O-N 2.86Å
259	P	97.4	Very high	95.5	Very high	93 Å²	93	72.1 Å²	72.1	60%	0.604	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	144.7	178.3	28.9	-34.7	0	0	0	111.2	F265	P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.23Å
260	A	96.6	Very high	95.9	Very high	50 Å²	50	67.1 Å²	67.1	41%	0.413	36%	0.36	S	S	.	.			trans	-89.2	-15.5	173.4	0	0	0	0	0	113	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.43Å; A260-T264 WeakPolarHBondContact CB-O 3.45Å; A260-T264 WeakPolarHBondContact CB-OG1 3.31Å; A260-T264 PolarHBondContact N-O 2.88Å
261	G	93.3	Very high	96.4	Very high	78 Å²	78	58.2 Å²	58.2	80%	0.804	32%	0.319	S	S	*	.	S	Bend	trans	96	-5.3	179.6	0	0	0	0	0	114.7
262	D	92.9	Very high	96.9	Very high	108 Å²	108	56.6 Å²	56.6	58%	0.578	31%	0.313	S	S	*	.	S	Bend	trans	-116.4	31.6	-179.8	65	-5.2	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.43Å; D262-T264 PolarHBondContact O-N 2.92Å; D262-T264 WeakPolarHBondContact OD1-CB 3.4Å; D262-T264 PolarHBondContact OD1-N 3.28Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.35Å
263	R	92.7	Very high	97	Very high	63 Å²	63	55.5 Å²	55.5	24%	0.238	31%	0.306	C	S	.	.	S	Bend	trans	73.9	-19.8	-169.7	-176.8	-177.4	172	-134.9	-13.7	115.2	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.89Å; T202-R263 VanDerWaalsContact CA-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 3.47Å; T202-R263 PolarHBondContact O-NH2 3.11Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.32Å; Y233-R263 HydrophobicContact CD2-CG 3.97Å; Y233-R263 HydrophobicContact CE2-CG 4.16Å; R263-F265 WeakPolarHBondContact O-CE2 3.42Å
264	T	97.3	Very high	96.9	Very high	17 Å²	17	52.3 Å²	52.3	10%	0.104	30%	0.295	C	S	.	.			trans	-85.3	168.9	-179.4	75.7	0	0	0	0	112.9	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3.48Å; A260-T264 WeakPolarHBondContact CB-O 3.45Å; A260-T264 WeakPolarHBondContact CB-OG1 3.31Å; A260-T264 PolarHBondContact N-O 2.88Å; D262-T264 PolarHBondContact O-N 2.92Å; D262-T264 WeakPolarHBondContact OD1-CB 3.4Å; D262-T264 PolarHBondContact OD1-N 3.28Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.35Å
265	F	98.5	Very high	96.8	Very high	25 Å²	25	50.7 Å²	50.7	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	163.7	-179.9	-64.7	-87.9	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 3.43Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.31Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.44Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 2.9Å; F232-F265 PolarHBondContact O-N 3.16Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.63Å; T257-F265 HydrophobicContact CG2-CB 3.75Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.43Å; P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.23Å; R263-F265 WeakPolarHBondContact O-CE2 3.42Å
266	Q	98.4	Very high	96.5	Very high	46 Å²	46	52.1 Å²	52.1	22%	0.215	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.6	174.3	45	168.9	-23.2	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.32Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 2.87Å; R258-Q266 WeakPolarHBondContact O-CG 3.4Å; R258-Q266 PolarHBondContact O-N 2.86Å
267	K	98.6	Very high	96.5	Very high	22 Å²	22	46.5 Å²	46.5	10%	0.096	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154.1	177.3	-162.7	-175.8	-171.5	69.9	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.44Å; A229-K267 PolarHBondContact O-N 3.34Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; L254-K267 HydrophobicContact CD1-CD 4.45Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.33Å; V255-K267 WeakPolarHBondContact O-CG 3.35Å; V255-K267 PolarHBondContact O-NZ 3.15Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 3.15Å
268	W	98.4	Very high	96.3	Very high	27 Å²	27	45.3 Å²	45.3	10%	0.102	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.6	169.3	59.1	-99.4	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.31Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.23Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.44Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.03Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.45Å; V255-W268 PolarHBondContact N-O 3.22Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269	A	98.4	Very high	96.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.8	173.7	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.31Å; C227-A269 PolarHBondContact N-O 2.86Å; C227-A269 PolarHBondContact O-N 3.41Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; W241-A269 PolarHBondContact NE1-O 2.82Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.43Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
270	A	98.1	Very high	96.2	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.6	179.9	0	0	0	0	0	112.1	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.94Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.46Å; R226-A270 HydrophobicContact CB-CB 4.11Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.46Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.49Å; E253-A270 PolarHBondContact O-N 3.19Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271	V	97.9	Very high	96.3	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.5	175.8	63	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.18Å; L225-V271 HydrophobicContact CB-CG1 4.22Å; L225-V271 PolarHBondContact N-O 2.93Å; L225-V271 PolarHBondContact O-N 3.29Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.65Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.4Å; V271-Y281 HydrophobicContact CG1-CD1 4.03Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.04Å
272	V	97.6	Very high	96.5	Very high	75 Å²	75	40.1 Å²	40.1	46%	0.455	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.8	171.3	-178.5	0	0	0	0	108.1	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; A223-V272 WeakPolarHBondContact O-CA 3.26Å
273	V	96.6	Very high	96.7	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146	-175.4	-51.8	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 PolarHBondContact O-N 3.26Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.16Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.4Å; V273-E278 HydrophobicContact CG2-CG 3.95Å; V273-Y281 HydrophobicContact CB-CD2 4.04Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.6	Very high	97	Very high	46 Å²	46	33.6 Å²	33.6	30%	0.299	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.5	170.3	-20.3	32.4	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.44Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; P274-G276 PolarHBondContact O-N 3.45Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 3.24Å
275	S	92.9	Very high	97	Very high	55 Å²	55	32.8 Å²	32.8	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127.6	175.4	-63.8	0	0	0	0	110.9	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.35Å; D220-S275 VanDerWaalsContact O-OG 3.06Å; H221-S275 PolarHBondContact O-N 3.34Å; H221-S275 PolarHBondContact O-OG 2.9Å; E222-S275 PolarHBondContact N-OG 3.29Å; S275-E278 WeakPolarHBondContact CA-OE1 3.17Å
276	G	92	Very high	97	Very high	65 Å²	65	35.1 Å²	35.1	67%	0.67	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-6.6	-178.4	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.45Å; G276-E278 WeakPolarHBondContact CA-OE2 3.39Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.99Å; G276-E278 PolarHBondContact N-OE2 3.27Å
277	E	95.8	Very high	96.9	Very high	54 Å²	54	33.5 Å²	33.5	25%	0.252	18%	0.184	S	C	.	.			trans	-98.9	3.6	175.7	-65.9	-159.3	-154.7	0	0	113.7	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 2.62Å; R243-E277 IonicContact NE-OE2 2.65Å; R243-E277 IonicContact NH2-OE1 3.1Å; R243-E277 IonicContact NH2-OE2 2.8Å; R243-E277 PolarHBondContact NH2-OE2 3.03Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 3.24Å; E277-Q279 PolarHBondContact O-N 3.2Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 2.8Å; E277-R280 IonicContact OE1-NH1 3.73Å; E277-R280 IonicContact OE2-CZ 3.43Å; E277-R280 IonicContact OE2-NE 2.67Å; E277-R280 IonicContact OE2-NH1 3.52Å; E277-R280 PolarHBondContact OE2-NH1 2.99Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.38Å
278	E	95.3	Very high	96.7	Very high	20 Å²	20	36 Å²	36	9%	0.093	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32.8	-170.2	-57.1	80.8	-177.1	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.79Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; V273-E278 HydrophobicContact CG2-CG 3.95Å; S275-E278 WeakPolarHBondContact CA-OE1 3.17Å; G276-E278 WeakPolarHBondContact CA-OE2 3.39Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.99Å; G276-E278 PolarHBondContact N-OE2 3.27Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.45Å; E278-Y281 PolarHBondContact O-N 2.9Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å
279	Q	95.4	Very high	96.5	Very high	93 Å²	93	35.8 Å²	35.8	44%	0.435	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-72.1	-16.7	-178.9	-62.7	-56.5	-46.2	0	0	114	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.2Å; Q279-R297 PolarHBondContact O-NE 2.91Å; Q279-W298 PolarHBondContact NE2-O 3.39Å
280	R	96.9	Very high	96.4	Very high	102 Å²	102	37 Å²	37	39%	0.385	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-75.7	-17.2	173	-63.2	174.1	68	178.5	5.6	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.35Å; R243-R280 HydrophobicContact CG-CB 4.4Å; D244-R280 PolarHBondContact N-O 3.27Å; D244-R280 IonicContact OD1-NE 3.13Å; D244-R280 PolarHBondContact OD1-NE 2.93Å; D244-R280 IonicContact OD2-CZ 3.58Å; D244-R280 IonicContact OD2-NE 3.93Å; D244-R280 PolarHBondContact OD2-NE 2.94Å; D244-R280 IonicContact OD2-NH2 3.03Å; D244-R280 PolarHBondContact OD2-NH2 2.99Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 2.8Å; E277-R280 IonicContact OE1-NH1 3.73Å; E277-R280 IonicContact OE2-CZ 3.43Å; E277-R280 IonicContact OE2-NE 2.67Å; E277-R280 IonicContact OE2-NH1 3.52Å; E277-R280 PolarHBondContact OE2-NH1 2.99Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.45Å
281	Y	97.7	Very high	96.1	Very high	6 Å²	6	43.3 Å²	43.3	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.8	-177.5	-69.4	-100.1	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.06Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å; V271-Y281 HydrophobicContact CG1-CD1 4.03Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.04Å; V273-Y281 HydrophobicContact CB-CD2 4.04Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.38Å; E278-Y281 PolarHBondContact O-N 2.9Å; E278-Y281 VanDerWaalsContact O-N 3.17Å
282	T	98.1	Very high	96	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	-125.2	132	175.9	47.7	0	0	0	0	110.8	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.25Å; Q242-T282 PolarHBondContact N-O 3.25Å; Q242-T282 PolarHBondContact O-N 3.41Å; T282-H284 PolarHBondContact O-CD2 3.07Å; T282-H284 PolarHBondContact OG1-NE2 2.84Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.26Å; T282-R297 HydrophobicContact CG2-CG 3.64Å
283	C	98.3	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.4	169.7	174.7	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.34Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.83Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.36Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.42Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 2.95Å
284	H	98.1	Very high	95.9	Very high	35 Å²	35	52.4 Å²	52.4	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.8	176.7	-63.9	-109.7	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.48Å; T240-H284 PolarHBondContact N-O 3.2Å; T240-H284 PolarHBondContact O-N 3.37Å; T240-H284 WeakPolarHBondContact OG1-CB 3.13Å; Q242-H284 PolarHBondContact OE1-NE2 2.82Å; T282-H284 PolarHBondContact O-CD2 3.07Å; T282-H284 PolarHBondContact OG1-NE2 2.84Å; H284-L294 WeakPolarHBondContact CA-O 3.32Å; H284-T295 PolarHBondContact ND1-OG1 2.99Å
285	V	98.3	Very high	96	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.8	-178.2	-174.4	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 3.99Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; T238-V285 WeakPolarHBondContact O-CA 3.4Å; L239-V285 HydrophobicContact CD1-CG1 4.1Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; V285-P293 WeakPolarHBondContact O-CA 3.37Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.71Å; V285-L294 PolarHBondContact O-N 3.06Å; V285-L296 HydrophobicContact CG2-CD1 3.75Å
286	Q	97.8	Very high	96.2	Very high	74 Å²	74	53 Å²	53	35%	0.346	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.9	173.9	-53.8	178.7	4.1	0	0	109.3	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.49Å; T238-Q286 PolarHBondContact N-O 3.1Å; T238-Q286 PolarHBondContact O-N 3.16Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
287	H	96.4	Very high	96.4	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.056	29%	0.285	C	S	.	.			trans	-158.4	146.3	-178.1	-174.6	-99	0	0	0	109.1	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.41Å; D207-H287 VanDerWaalsContact O-CE1 3.32Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.68Å; Y233-H287 PolarHBondContact O-CE1 2.8Å; P234-H287 PolarHBondContact O-NE2 3.3Å; E236-H287 PolarHBondContact O-CD2 3.31Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.1Å; H287-G289 PolarHBondContact ND1-N 2.89Å; H287-G289 PolarHBondContact O-N 3.42Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.26Å; H287-L290 PolarHBondContact O-N 2.88Å
288	E	93.8	Very high	96.4	Very high	75 Å²	75	56.6 Å²	56.6	35%	0.35	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.5	-179.7	-171.9	-171.2	164	0	0	113.1	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CB 4.3Å; W23-E288 HydrophobicContact CB-CG 4.21Å; W23-E288 HydrophobicContact CE3-CB 4.2Å; W23-E288 VanDerWaalsContact O-CD 3.24Å; A206-E288 HydrophobicContact CB-CB 4.47Å; A206-E288 HydrophobicContact CB-CG 4.36Å; P234-E288 WeakPolarHBondContact CG-OE2 3.4Å; E288-L290 PolarHBondContact O-N 2.88Å
289	G	94.2	Very high	96.2	Very high	21 Å²	21	63.5 Å²	63.5	22%	0.216	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.7	178.7	0	0	0	0	0	114	P208 H287	P208-G289 WeakPolarHBondContact CB-O 3.14Å; H287-G289 PolarHBondContact ND1-N 2.89Å; H287-G289 PolarHBondContact O-N 3.42Å
290	L	95.8	Very high	95.5	Very high	26 Å²	26	62.9 Å²	62.9	14%	0.136	32%	0.318	C	S	.	.			trans	-95.3	126.5	178.9	-65.8	171	0	0	0	110.8	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.44Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.26Å; H287-L290 PolarHBondContact O-N 2.88Å; E288-L290 PolarHBondContact O-N 2.88Å; L290-K292 WeakPolarHBondContact CB-O 3.25Å; L290-K292 PolarHBondContact O-N 2.69Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291	P	93.8	Very high	93.9	Very high	134 Å²	134	63 Å²	63	87%	0.87	33%	0.334	S	S	*	.	S	Bend	trans	-66.7	-21	177.1	28	-35.3	0	0	0	112.8
292	K	94.1	Very high	91.5	Very high	151 Å²	151	67.9 Å²	67.9	66%	0.657	37%	0.37	S	S	*	.	S	Bend	trans	-151.4	151.2	172.3	60.9	179.9	179.9	177.6	0	109.2	L290	L290-K292 WeakPolarHBondContact CB-O 3.25Å; L290-K292 PolarHBondContact O-N 2.69Å
293	P	96.3	Very high	89	Confident	69 Å²	69	75.3 Å²	75.3	45%	0.448	40%	0.404	S	S	.	.			trans	-52.3	142.9	172.6	-27.5	36	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.37Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
294	L	97.3	Very high	86.3	Confident	51 Å²	51	79.7 Å²	79.7	27%	0.267	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.1	174.2	-62.4	178.4	0	0	0	110.1	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.29Å; H284-L294 WeakPolarHBondContact CA-O 3.32Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.71Å; V285-L294 PolarHBondContact O-N 3.06Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; L294-L296 HydrophobicContact CB-CD1 4.09Å
295	T	97.9	Very high	83.9	Confident	85 Å²	85	84 Å²	84	52%	0.521	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.6	170.7	-58	0	0	0	0	108	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.42Å; H284-T295 PolarHBondContact ND1-OG1 2.99Å
296	L	97.3	Very high	81.7	Confident	28 Å²	28	88.6 Å²	88.6	15%	0.147	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	143.7	-178	-61	101.7	0	0	0	110.5	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.45Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.45Å; V213-L296 HydrophobicContact CG2-CB 3.83Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.26Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 2.95Å; V285-L296 HydrophobicContact CG2-CD1 3.75Å; L294-L296 HydrophobicContact CB-CD1 4.09Å
297	R	96.4	Very high	79.7	Confident	146 Å²	146	89 Å²	89	55%	0.551	50%	0.496	S	S	*	.			trans	-115.1	163.2	163.7	-70.9	-171.7	175.3	116.3	3.3	109	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 2.91Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; R297-E299 PolarHBondContact O-N 3.41Å
298	W	96	Very high	78.1	Confident	48 Å²	48	94 Å²	94	18%	0.182	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-68.8	121.4	165.6	171	57.5	0	0	0	109.7	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 HydrophobicContact CB-CG 4.1Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.94Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å; Q279-W298 PolarHBondContact NE2-O 3.39Å; W298-P300 HydrophobicContact CE3-CG 4.38Å; W298-P300 HydrophobicContact CH2-CB 4.22Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.01Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.08Å
299	E	89.6	Confident	76.7	Confident	165 Å²	165	96.3 Å²	96.3	77%	0.771	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-98.7	118.6	168.7	-70.9	-178.8	176.4	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 3.41Å; E299-S301 PolarHBondContact O-N 2.9Å; E299-S301 VanDerWaalsContact O-N 3.14Å
300	P	81.5	Confident	75.5	Confident	80 Å²	80	97.3 Å²	97.3	52%	0.519	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-56.2	123.4	169.8	-18.5	29.2	0	0	0	107.4	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.38Å; W298-P300 HydrophobicContact CH2-CB 4.22Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.01Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.08Å; P300-S302 PolarHBondContact O-N 3.3Å
301	S	63.8	Low	74.6	Confident	104 Å²	104	100.5 Å²	100.5	73%	0.727	57%	0.568	S	S	*	*			trans	-51.9	112.6	178.5	47.5	0	0	0	0	108.5	E299 Q303	E299-S301 PolarHBondContact O-N 2.9Å; E299-S301 VanDerWaalsContact O-N 3.14Å; S301-Q303 PolarHBondContact O-N 2.73Å
302	S	47.9	Very low	73.9	Confident	109 Å²	109	98.5 Å²	98.5	76%	0.762	55%	0.552	S	S	*	*			trans	-68.5	80.1	163.1	61.9	0	0	0	0	105.9	P300 S304	P300-S302 PolarHBondContact O-N 3.3Å; S302-S304 PolarHBondContact O-N 3.2Å
303	Q	45.2	Very low	73.2	Confident	168 Å²	168	93.8 Å²	93.8	79%	0.785	54%	0.542	S	S	*	.			trans	-58.3	90.6	146	-83.5	-174.4	-13.2	0	0	103.9	S301 T305	S301-Q303 PolarHBondContact O-N 2.73Å; Q303-T305 PolarHBondContact O-N 2.81Å; Q303-T305 PolarHBondContact O-OG1 2.85Å
304	S	41.8	Very low	72.6	Confident	92 Å²	92	92.3 Å²	92.3	64%	0.643	54%	0.539	S	S	*	.			trans	-56.6	96.2	162	178.4	0	0	0	0	103.6	S302 I306	S302-S304 PolarHBondContact O-N 3.2Å; S304-I306 PolarHBondContact O-N 3.24Å; S304-I306 WeakPolarHBondContact OG-CG1 3.34Å
305	T	47.8	Very low	72.1	Confident	125 Å²	125	95.2 Å²	95.2	77%	0.767	55%	0.554	S	S	*	*			trans	-66	72	160.7	-36.6	0	0	0	0	104.4	Q303 P307	Q303-T305 PolarHBondContact O-N 2.81Å; Q303-T305 PolarHBondContact O-OG1 2.85Å; T305-P307 WeakPolarHBondContact O-CD 3.11Å
306	I	51.6	Low	71.5	Confident	98 Å²	98	93.8 Å²	93.8	50%	0.503	55%	0.551	S	S	.	*			trans	-47.2	121.2	156.9	-61.3	177.6	0	0	0	102.5	S304 I308 I311	S304-I306 PolarHBondContact O-N 3.24Å; S304-I306 WeakPolarHBondContact OG-CG1 3.34Å; I306-I308 HydrophobicContact CB-CG1 4.34Å; I306-I308 HydrophobicContact CG2-CG1 4.21Å; I306-I308 WeakPolarHBondContact O-CG1 3.31Å; I306-I308 PolarHBondContact O-N 3.48Å; I306-I311 HydrophobicContact CG2-CD1 4.2Å
307	P	56.3	Low	71	Confident	82 Å²	82	97 Å²	97	53%	0.532	57%	0.572	S	S	.	*			trans	-73.8	72.7	-175	30.2	-33.6	0	0	0	107.1	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.11Å; P307-V309 PolarHBondContact O-N 2.98Å; P307-G310 WeakPolarHBondContact O-CA 3.37Å; P307-G310 PolarHBondContact O-N 3.01Å; P307-I311 PolarHBondContact O-N 3.34Å
308	I	61	Low	70.5	Confident	117 Å²	117	95.2 Å²	95.2	60%	0.6	57%	0.573	S	S	*	*	H	α-helix	trans	-56.3	-36.9	177.6	-66	168.4	0	0	0	107.8	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.34Å; I306-I308 HydrophobicContact CG2-CG1 4.21Å; I306-I308 WeakPolarHBondContact O-CG1 3.31Å; I306-I308 PolarHBondContact O-N 3.48Å; I308-G310 PolarHBondContact O-N 3.04Å; I308-I311 PolarHBondContact O-N 3.16Å; I308-V312 HydrophobicContact CG2-CG2 4.33Å; I308-V312 WeakPolarHBondContact O-CB 3.43Å; I308-V312 WeakPolarHBondContact O-CG2 3.38Å; I308-V312 PolarHBondContact O-N 3.11Å
309	V	65.1	Low	70.1	Confident	123 Å²	123	95.3 Å²	95.3	75%	0.745	58%	0.584	S	S	*	*	H	α-helix	trans	-60.9	-41.6	172.4	-177.9	0	0	0	0	112.2	P307 A313	P307-V309 PolarHBondContact O-N 2.98Å; V309-A313 VanDerWaalsContact O-CB 3.26Å; V309-A313 WeakPolarHBondContact O-CB 3.41Å; V309-A313 PolarHBondContact O-N 2.82Å
310	G	70.2	Confident	69.9	Low	43 Å²	43	92.4 Å²	92.4	44%	0.443	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-38.9	178.5	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.37Å; P307-G310 PolarHBondContact O-N 3.01Å; I308-G310 PolarHBondContact O-N 3.04Å; G310-G314 PolarHBondContact O-N 2.88Å
311	I	75.9	Confident	70.2	Confident	93 Å²	93	93 Å²	93	48%	0.477	58%	0.579	S	S	.	*	H	α-helix	trans	-68.5	-44.2	176.2	-63	171.9	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.2Å; P307-I311 PolarHBondContact O-N 3.34Å; I308-I311 PolarHBondContact O-N 3.16Å; I311-G314 PolarHBondContact O-N 3.27Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 3.44Å
312	V	78.3	Confident	71.2	Confident	91 Å²	91	92 Å²	92	55%	0.552	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-43.6	177.9	172	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.33Å; I308-V312 WeakPolarHBondContact O-CB 3.43Å; I308-V312 WeakPolarHBondContact O-CG2 3.38Å; I308-V312 PolarHBondContact O-N 3.11Å; V312-L315 PolarHBondContact O-N 2.94Å; V312-A316 WeakPolarHBondContact O-CB 3.5Å; V312-A316 PolarHBondContact O-N 2.79Å
313	A	79.5	Confident	73	Confident	53 Å²	53	92 Å²	92	44%	0.438	56%	0.559	S	S	.	*	H	α-helix	trans	-62.7	-43.6	175.3	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.26Å; V309-A313 WeakPolarHBondContact O-CB 3.41Å; V309-A313 PolarHBondContact O-N 2.82Å; A313-A316 PolarHBondContact O-N 3.39Å; A313-V317 WeakPolarHBondContact O-CG2 3.43Å; A313-V317 PolarHBondContact O-N 2.93Å; A313-V317 VanDerWaalsContact O-N 3.07Å
314	G	84.1	Confident	74.8	Confident	38 Å²	38	85.9 Å²	85.9	39%	0.392	54%	0.541	S	S	.	.	H	α-helix	trans	-60.9	-44.5	176.8	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.88Å; I311-G314 PolarHBondContact O-N 3.27Å; G314-V317 PolarHBondContact O-N 3.21Å; G314-L318 PolarHBondContact O-N 3.38Å; G314-L318 VanDerWaalsContact O-N 3.08Å
315	L	87.2	Confident	76.7	Confident	111 Å²	111	84.1 Å²	84.1	58%	0.581	53%	0.532	S	S	*	.	H	α-helix	trans	-66.3	-38.4	177.4	-73	171.4	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 3.44Å; V312-L315 PolarHBondContact O-N 2.94Å; L315-L318 PolarHBondContact O-N 2.93Å; L315-A319 PolarHBondContact O-N 3.03Å
316	A	84.8	Confident	78.3	Confident	56 Å²	56	82.1 Å²	82.1	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-43	176.7	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.5Å; V312-A316 PolarHBondContact O-N 2.79Å; A313-A316 PolarHBondContact O-N 3.39Å; A316-A319 PolarHBondContact O-N 3Å; A316-V320 WeakPolarHBondContact O-CG2 3.34Å; A316-V320 PolarHBondContact O-N 2.96Å; A316-V320 VanDerWaalsContact O-N 3.12Å
317	V	86.4	Confident	79.7	Confident	96 Å²	96	81.1 Å²	81.1	58%	0.582	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-44.3	176.3	173.6	0	0	0	0	110.9	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.43Å; A313-V317 PolarHBondContact O-N 2.93Å; A313-V317 VanDerWaalsContact O-N 3.07Å; G314-V317 PolarHBondContact O-N 3.21Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.14Å; V317-V320 PolarHBondContact O-N 3.1Å; V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.49Å; V317-V321 PolarHBondContact O-N 3.21Å
318	L	87.4	Confident	80.6	Confident	108 Å²	108	79.7 Å²	79.7	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-58.8	-44	176.4	-109.7	153.9	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 3.38Å; G314-L318 VanDerWaalsContact O-N 3.08Å; L315-L318 PolarHBondContact O-N 2.93Å; L318-V320 PolarHBondContact O-N 3.39Å; L318-V321 PolarHBondContact O-N 3.25Å; L318-V322 VanDerWaalsContact O-CG2 3.3Å; L318-V322 WeakPolarHBondContact O-CG2 3.26Å; L318-V322 PolarHBondContact O-N 3.31Å
319	A	86	Confident	81.3	Confident	50 Å²	50	78.2 Å²	78.2	41%	0.413	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-43.3	177.4	0	0	0	0	0	112.2	L315 A316 V317 V322 I323	L315-A319 PolarHBondContact O-N 3.03Å; A316-A319 PolarHBondContact O-N 3Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.14Å; A319-V322 PolarHBondContact O-N 2.85Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.37Å; A319-I323 PolarHBondContact O-N 2.65Å
320	V	86.4	Confident	81.7	Confident	104 Å²	104	76.3 Å²	76.3	63%	0.63	50%	0.498	S	S	*	.	H	α-helix	trans	-63.5	-42.6	177.4	173.4	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.34Å; A316-V320 PolarHBondContact O-N 2.96Å; A316-V320 VanDerWaalsContact O-N 3.12Å; V317-V320 PolarHBondContact O-N 3.1Å; L318-V320 PolarHBondContact O-N 3.39Å; V320-I323 PolarHBondContact O-N 2.83Å; V320-G324 PolarHBondContact O-N 3.18Å
321	V	87.3	Confident	81.8	Confident	93 Å²	93	80.3 Å²	80.3	56%	0.564	51%	0.506	S	S	*	.	H	α-helix	trans	-63	-44.1	177.8	172.3	0	0	0	0	111.2	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.49Å; V317-V321 PolarHBondContact O-N 3.21Å; L318-V321 PolarHBondContact O-N 3.25Å; V321-G324 PolarHBondContact O-N 3.42Å; V321-A325 WeakPolarHBondContact O-CB 3.39Å; V321-A325 PolarHBondContact O-N 3.42Å
322	V	85.7	Confident	81.5	Confident	82 Å²	82	80.2 Å²	80.2	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-64	-46.1	178.6	172.8	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.3Å; L318-V322 WeakPolarHBondContact O-CG2 3.26Å; L318-V322 PolarHBondContact O-N 3.31Å; A319-V322 PolarHBondContact O-N 2.85Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.37Å; V322-A325 PolarHBondContact O-N 2.85Å; V322-V326 HydrophobicContact CG1-CG2 4.49Å; V322-V326 VanDerWaalsContact O-CG2 3.31Å; V322-V326 WeakPolarHBondContact O-CG2 3.19Å; V322-V326 PolarHBondContact O-N 3.34Å
323	I	84.9	Confident	80.9	Confident	109 Å²	109	85.6 Å²	85.6	56%	0.559	52%	0.523	S	S	*	.	H	α-helix	trans	-61	-44.6	177	-67.2	165.9	0	0	0	110.4	A319 V320 A325 V326 V327	A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.37Å; A319-I323 PolarHBondContact O-N 2.65Å; V320-I323 PolarHBondContact O-N 2.83Å; I323-A325 PolarHBondContact O-N 3.21Å; I323-V326 PolarHBondContact O-N 2.97Å; I323-V327 HydrophobicContact CG2-CG2 4.37Å; I323-V327 WeakPolarHBondContact O-CG2 3.2Å; I323-V327 PolarHBondContact O-N 3.43Å
324	G	82.8	Confident	80	Confident	40 Å²	40	93.2 Å²	93.2	41%	0.412	54%	0.541	S	S	.	.	H	α-helix	trans	-59.2	-44.5	176.5	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.18Å; V321-G324 PolarHBondContact O-N 3.42Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.37Å; G324-V327 PolarHBondContact O-N 2.82Å; G324-A328 WeakPolarHBondContact O-CB 3.35Å; G324-A328 PolarHBondContact O-N 3.2Å
325	A	81.8	Confident	78.6	Confident	55 Å²	55	100.7 Å²	100.7	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-65.2	-39.4	177.6	0	0	0	0	0	112.7	V321 V322 I323 T329	V321-A325 WeakPolarHBondContact O-CB 3.39Å; V321-A325 PolarHBondContact O-N 3.42Å; V322-A325 PolarHBondContact O-N 2.85Å; I323-A325 PolarHBondContact O-N 3.21Å; A325-T329 WeakPolarHBondContact O-CB 3.49Å; A325-T329 WeakPolarHBondContact O-CG2 3.14Å; A325-T329 PolarHBondContact O-N 3.26Å; A325-T329 PolarHBondContact O-OG1 3.28Å
326	V	82.6	Confident	77.1	Confident	82 Å²	82	100.1 Å²	100.1	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-66.2	-44.2	175.8	173.1	0	0	0	0	110.9	V322 I323 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.49Å; V322-V326 VanDerWaalsContact O-CG2 3.31Å; V322-V326 WeakPolarHBondContact O-CG2 3.19Å; V322-V326 PolarHBondContact O-N 3.34Å; I323-V326 PolarHBondContact O-N 2.97Å; V326-T329 WeakPolarHBondContact CA-OG1 3.46Å; V326-T329 PolarHBondContact O-N 2.77Å; V326-T329 PolarHBondContact O-OG1 3.18Å; V326-V330 HydrophobicContact CG1-CG2 4.41Å; V326-V330 WeakPolarHBondContact O-CB 3.5Å; V326-V330 VanDerWaalsContact O-CG2 3.25Å; V326-V330 WeakPolarHBondContact O-CG2 3.18Å; V326-V330 PolarHBondContact O-N 3.01Å
327	V	80	Confident	75.4	Confident	77 Å²	77	105.1 Å²	105.1	47%	0.467	60%	0.599	S	S	.	*	H	α-helix	trans	-63.4	-44.5	177.2	172.7	0	0	0	0	110.9	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.37Å; I323-V327 WeakPolarHBondContact O-CG2 3.2Å; I323-V327 PolarHBondContact O-N 3.43Å; G324-V327 PolarHBondContact O-N 2.82Å; V327-T329 PolarHBondContact O-N 3.43Å; V327-V330 PolarHBondContact O-N 2.73Å; V327-M331 HydrophobicContact CG1-CG 4.34Å; V327-M331 HydrophobicContact CG1-SD 4.02Å; V327-M331 WeakPolarHBondContact O-CB 3.49Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.49Å; V327-M331 PolarHBondContact O-N 2.95Å
328	A	76.3	Confident	74.9	Confident	53 Å²	53	105.6 Å²	105.6	44%	0.438	60%	0.6	S	S	.	*	H	α-helix	trans	-61.3	-44.6	177.4	0	0	0	0	0	112.2	G324 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.35Å; G324-A328 PolarHBondContact O-N 3.2Å; A328-M331 PolarHBondContact O-N 3.3Å; A328-C332 WeakPolarHBondContact O-CB 3.21Å; A328-C332 PolarHBondContact O-N 3.14Å; A328-C332 PolarHBondContact O-SG 2.95Å; A328-C332 VanDerWaalsContact O-SG 3.4Å
329	T	74.3	Confident	74.2	Confident	86 Å²	86	105.4 Å²	105.4	53%	0.528	60%	0.602	S	S	.	*	H	α-helix	trans	-66.2	-39.2	177.5	43.4	0	0	0	0	112.6	A325 V326 V327 R333	A325-T329 WeakPolarHBondContact O-CB 3.49Å; A325-T329 WeakPolarHBondContact O-CG2 3.14Å; A325-T329 PolarHBondContact O-N 3.26Å; A325-T329 PolarHBondContact O-OG1 3.28Å; V326-T329 WeakPolarHBondContact CA-OG1 3.46Å; V326-T329 PolarHBondContact O-N 2.77Å; V326-T329 PolarHBondContact O-OG1 3.18Å; V327-T329 PolarHBondContact O-N 3.43Å; T329-R333 WeakPolarHBondContact O-CB 3.43Å; T329-R333 WeakPolarHBondContact O-CG 3.36Å; T329-R333 PolarHBondContact O-N 2.73Å
330	V	74.2	Confident	73.5	Confident	82 Å²	82	108.5 Å²	108.5	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-64.7	-43.6	173.8	170.6	0	0	0	0	111.1	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.41Å; V326-V330 WeakPolarHBondContact O-CB 3.5Å; V326-V330 VanDerWaalsContact O-CG2 3.25Å; V326-V330 WeakPolarHBondContact O-CG2 3.18Å; V326-V330 PolarHBondContact O-N 3.01Å; V327-V330 PolarHBondContact O-N 2.73Å; V330-R333 PolarHBondContact O-N 3.03Å; V330-R334 WeakPolarHBondContact O-CB 3.2Å; V330-R334 PolarHBondContact O-N 2.88Å
331	M	72.6	Confident	72.8	Confident	128 Å²	128	108.8 Å²	108.8	63%	0.631	61%	0.611	S	S	*	*	H	α-helix	trans	-65.2	-41	177.5	-74.6	-174.9	69.1	0	0	112.4	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.34Å; V327-M331 HydrophobicContact CG1-SD 4.02Å; V327-M331 WeakPolarHBondContact O-CB 3.49Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.49Å; V327-M331 PolarHBondContact O-N 2.95Å; A328-M331 PolarHBondContact O-N 3.3Å; M331-R334 PolarHBondContact O-N 3.04Å; M331-K335 PolarHBondContact O-N 2.93Å; M331-K335 VanDerWaalsContact O-N 3.14Å
332	C	69.8	Low	71.9	Confident	91 Å²	91	109.8 Å²	109.8	62%	0.615	61%	0.614	S	S	*	*	H	α-helix	trans	-61.3	-43.4	173.4	-76.7	0	0	0	0	111.5	A328 R334 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.21Å; A328-C332 PolarHBondContact O-N 3.14Å; A328-C332 PolarHBondContact O-SG 2.95Å; A328-C332 VanDerWaalsContact O-SG 3.4Å; C332-R334 VanDerWaalsContact C-N 3.34Å; C332-R334 PolarHBondContact O-N 3.15Å; C332-K335 PolarHBondContact O-N 2.95Å; C332-S336 PolarHBondContact O-N 2.71Å; C332-S336 PolarHBondContact O-OG 3.2Å; C332-S336 VanDerWaalsContact O-OG 3.14Å
333	R	65.5	Low	71	Confident	203 Å²	203	111.6 Å²	111.6	77%	0.766	62%	0.622	S	S	*	*	H	α-helix	trans	-65.4	-33.6	176.1	-80.6	-174.8	165.2	-179.5	-3.1	113.5	T329 V330 K335 S336	T329-R333 WeakPolarHBondContact O-CB 3.43Å; T329-R333 WeakPolarHBondContact O-CG 3.36Å; T329-R333 PolarHBondContact O-N 2.73Å; V330-R333 PolarHBondContact O-N 3.03Å; R333-K335 VanDerWaalsContact C-N 3.32Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-OG 3.41Å; R333-S336 VanDerWaalsContact O-OG 3.09Å
334	R	60.2	Low	70	Confident	214 Å²	214	111.8 Å²	111.8	81%	0.808	63%	0.627	S	S	*	*	H	α-helix	trans	-74.9	-20.8	178.1	-130.6	179.4	178.3	-178.9	-1.1	113.5	V330 M331 C332	V330-R334 WeakPolarHBondContact O-CB 3.2Å; V330-R334 PolarHBondContact O-N 2.88Å; M331-R334 PolarHBondContact O-N 3.04Å; C332-R334 VanDerWaalsContact C-N 3.34Å; C332-R334 PolarHBondContact O-N 3.15Å
335	K	55.2	Low	69	Low	195 Å²	195	117.3 Å²	117.3	85%	0.848	64%	0.643	S	S	*	*	H	α-helix	trans	-91.5	-10.9	178.8	-140.9	176.6	-174.3	-178	0	112.9	M331 C332 R333	M331-K335 PolarHBondContact O-N 2.93Å; M331-K335 VanDerWaalsContact O-N 3.14Å; C332-K335 PolarHBondContact O-N 2.95Å; R333-K335 VanDerWaalsContact C-N 3.32Å
336	S	54.3	Low	67.9	Low	98 Å²	98	122.5 Å²	122.5	69%	0.685	66%	0.659	S	S	*	*			trans	-105.9	13.5	178.6	57	0	0	0	0	113.8	C332 R333	C332-S336 PolarHBondContact O-N 2.71Å; C332-S336 PolarHBondContact O-OG 3.2Å; C332-S336 VanDerWaalsContact O-OG 3.14Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-OG 3.41Å; R333-S336 VanDerWaalsContact O-OG 3.09Å
337	S	50.1	Low	66.6	Low	161 Å²	161	126.2 Å²	126.2	100%	1.126	67%	0.673	S	S	*	*			trans	-122.1	0	171	-176.1	0	0	0	0	109.9

Retrieved 337 of 337 residues in 296.7 ms (Link to these results)

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