A0A060VCY4_HUMAN Loading...

MHC class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A060VCY4, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	42.7	Very low	235 Å²	235	142.8 Å²	142.8	100%	1.158	72%	0.715	S	S	*	*				0	121.7	0	-69.4	146.2	72.6	0	0	108.1
2	R	37.1	Very low	42.8	Very low	250 Å²	250	141.4 Å²	141.4	94%	0.943	71%	0.71	S	S	*	*			trans	-83.5	112.8	167.5	-90.2	-178.4	170.7	165	-3.4	107.3	M4	R2-M4 PolarHBondContact O-N 3.29Å; R2-M4 VanDerWaalsContact O-N 3.11Å
3	V	38.4	Very low	42.4	Very low	139 Å²	139	138.1 Å²	138.1	84%	0.842	70%	0.695	S	S	*	*			trans	-71.7	104	170.7	179	0	0	0	0	106.9	A5	V3-A5 PolarHBondContact O-N 3.42Å
4	M	41.5	Very low	42.4	Very low	176 Å²	176	132.8 Å²	132.8	87%	0.867	68%	0.677	S	S	*	*			trans	-82.1	98.4	177.9	-162.2	167.9	72.1	0	0	107.3	R2	R2-M4 PolarHBondContact O-N 3.29Å; R2-M4 VanDerWaalsContact O-N 3.11Å
5	A	44.7	Very low	42.4	Very low	50 Å²	50	126.3 Å²	126.3	41%	0.413	66%	0.656	S	S	.	*			trans	-55.2	132.2	175.1	0	0	0	0	0	109.2	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.42Å; A5-R7 PolarHBondContact O-N 3.37Å; A5-L10 HydrophobicContact CB-CD1 4.12Å
6	P	44.6	Very low	42.3	Very low	78 Å²	78	121.5 Å²	121.5	51%	0.506	64%	0.641	S	S	.	*			trans	-63.1	131.1	-176	22.2	-29.6	0	0	0	109.9	T8 L9	P6-T8 PolarHBondContact O-N 3.27Å; P6-T8 VanDerWaalsContact O-N 3.07Å; P6-L9 HydrophobicContact CG-CB 4.15Å; P6-L9 WeakPolarHBondContact O-CB 3.32Å; P6-L9 PolarHBondContact O-N 3.47Å
7	R	48.4	Very low	41.8	Very low	220 Å²	220	120.8 Å²	120.8	83%	0.83	64%	0.637	S	S	*	*	H	α-helix	trans	-53.8	-31.1	-175.5	-86.4	177.3	159.8	146.5	-7.8	113.5	A5 L9 L10 L11	A5-R7 PolarHBondContact O-N 3.37Å; R7-L9 VanDerWaalsContact C-N 3.33Å; R7-L9 PolarHBondContact O-N 3.44Å; R7-L10 PolarHBondContact O-N 3.5Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.29Å
8	T	46.7	Very low	41.6	Very low	97 Å²	97	117.1 Å²	117.1	60%	0.595	63%	0.627	S	S	*	*	H	α-helix	trans	-60.7	-36.6	173.3	35.2	0	0	0	0	113.3	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.27Å; P6-T8 VanDerWaalsContact O-N 3.07Å; T8-L11 PolarHBondContact O-N 2.89Å; T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.34Å
9	L	42	Very low	41.4	Very low	95 Å²	95	114.9 Å²	114.9	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-70.8	-37.8	177.6	-155.5	84.1	0	0	0	111.6	P6 R7 L13	P6-L9 HydrophobicContact CG-CB 4.15Å; P6-L9 WeakPolarHBondContact O-CB 3.32Å; P6-L9 PolarHBondContact O-N 3.47Å; R7-L9 VanDerWaalsContact C-N 3.33Å; R7-L9 PolarHBondContact O-N 3.44Å; L9-L13 HydrophobicContact CG-CD1 4.48Å; L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CD1 3.39Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 2.88Å
10	L	42.4	Very low	41.2	Very low	110 Å²	110	113.7 Å²	113.7	58%	0.576	61%	0.611	S	S	*	*	H	α-helix	trans	-64.6	-41.5	173.5	-107.8	89.5	0	0	0	111.7	A5 R7 L13 S14	A5-L10 HydrophobicContact CB-CD1 4.12Å; R7-L10 PolarHBondContact O-N 3.5Å; L10-L13 PolarHBondContact O-N 3.37Å; L10-S14 PolarHBondContact O-N 3.48Å; L10-S14 PolarHBondContact O-OG 2.87Å
11	L	49.9	Very low	41.1	Very low	121 Å²	121	116 Å²	116	63%	0.634	62%	0.618	S	S	*	*	H	α-helix	trans	-65.8	-43.2	178.9	-73.5	167.7	0	0	0	112.2	R7 T8 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.29Å; T8-L11 PolarHBondContact O-N 2.89Å; L11-S14 WeakPolarHBondContact CA-OG 3.41Å; L11-S14 PolarHBondContact O-N 2.9Å; L11-S14 PolarHBondContact O-OG 2.87Å; L11-G15 PolarHBondContact O-N 3.46Å
12	L	43.8	Very low	41.5	Very low	126 Å²	126	110 Å²	110	66%	0.66	60%	0.595	S	S	*	*	H	α-helix	trans	-62	-41.6	174	-74.3	165.4	0	0	0	111.9	T8 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.34Å; L12-G15 PolarHBondContact O-N 2.89Å; L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.38Å
13	L	37.7	Very low	42.1	Very low	98 Å²	98	101.8 Å²	101.8	51%	0.513	56%	0.564	S	S	.	*	H	α-helix	trans	-66.6	-37.6	175.6	-79.3	164.1	0	0	0	112.9	L9 L10 L17	L9-L13 HydrophobicContact CG-CD1 4.48Å; L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CD1 3.39Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 2.88Å; L10-L13 PolarHBondContact O-N 3.37Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.43Å
14	S	42	Very low	42.9	Very low	64 Å²	64	97.2 Å²	97.2	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-72.4	-33.7	175.3	49	0	0	0	0	113.1	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.48Å; L10-S14 PolarHBondContact O-OG 2.87Å; L11-S14 WeakPolarHBondContact CA-OG 3.41Å; L11-S14 PolarHBondContact O-N 2.9Å; L11-S14 PolarHBondContact O-OG 2.87Å; S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.24Å; S14-A18 VanDerWaalsContact O-N 3.12Å
15	G	43	Very low	44.3	Very low	35 Å²	35	91.7 Å²	91.7	36%	0.361	52%	0.519	S	S	.	.	H	α-helix	trans	-65.1	-46.3	170.5	0	0	0	0	0	111.6	L11 L12 L17 A18 L19	L11-G15 PolarHBondContact O-N 3.46Å; L12-G15 PolarHBondContact O-N 2.89Å; G15-L17 PolarHBondContact O-N 3.33Å; G15-A18 PolarHBondContact O-N 2.69Å; G15-L19 WeakPolarHBondContact O-CB 3.38Å; G15-L19 PolarHBondContact O-N 3.05Å
16	A	40.3	Very low	46.4	Very low	50 Å²	50	93 Å²	93	41%	0.413	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-38.7	176.9	0	0	0	0	0	113	L12 L19 T20	L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.38Å; A16-L19 CarbonylContact O-C 3.57Å; A16-L19 WeakPolarHBondContact O-CB 3.47Å; A16-L19 PolarHBondContact O-N 2.91Å; A16-T20 PolarHBondContact O-N 3.48Å; A16-T20 PolarHBondContact O-OG1 3.35Å
17	L	34.7	Very low	48.7	Very low	110 Å²	110	90.8 Å²	90.8	58%	0.576	51%	0.508	S	S	*	.	H	α-helix	trans	-67.3	-42.7	176.6	-79.7	164.5	0	0	0	112.3	L13 G15 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.43Å; G15-L17 PolarHBondContact O-N 3.33Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 3.39Å; L17-T20 VanDerWaalsContact O-N 3.09Å; L17-T20 PolarHBondContact O-OG1 3.5Å; L17-E21 PolarHBondContact O-N 2.87Å
18	A	37.4	Very low	50.9	Low	54 Å²	54	80.9 Å²	80.9	45%	0.446	47%	0.472	S	S	.	.	H	α-helix	trans	-63.5	-34.7	172.8	0	0	0	0	0	112.3	S14 G15 T22	S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.24Å; S14-A18 VanDerWaalsContact O-N 3.12Å; G15-A18 PolarHBondContact O-N 2.69Å; A18-T22 WeakPolarHBondContact O-CG2 3.34Å; A18-T22 PolarHBondContact O-N 2.95Å; A18-T22 PolarHBondContact O-OG1 3.37Å
19	L	38.2	Very low	53.4	Low	76 Å²	76	76.3 Å²	76.3	40%	0.398	44%	0.444	S	S	.	.	H	α-helix	trans	-67.1	-31.2	170.9	-89.6	155.8	0	0	0	112.8	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.38Å; G15-L19 PolarHBondContact O-N 3.05Å; A16-L19 CarbonylContact O-C 3.57Å; A16-L19 WeakPolarHBondContact O-CB 3.47Å; A16-L19 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 3.3Å; L19-T22 WeakPolarHBondContact CA-OG1 3.42Å; L19-T22 PolarHBondContact O-OG1 3.42Å
20	T	38.3	Very low	56	Low	90 Å²	90	75.3 Å²	75.3	55%	0.552	43%	0.434	S	S	*	.	H	α-helix	trans	-80.9	-30.7	175.6	49.9	0	0	0	0	114	A16 L17	A16-T20 PolarHBondContact O-N 3.48Å; A16-T20 PolarHBondContact O-OG1 3.35Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 3.39Å; L17-T20 VanDerWaalsContact O-N 3.09Å; L17-T20 PolarHBondContact O-OG1 3.5Å
21	E	38.5	Very low	58.6	Low	162 Å²	162	70.4 Å²	70.4	76%	0.757	41%	0.408	S	S	*	.	H	α-helix	trans	-74.4	-30.6	175.5	-78	-172.7	142.8	0	0	112.7	L17 W23	L17-E21 PolarHBondContact O-N 2.87Å; E21-W23 PolarHBondContact O-N 2.93Å
22	T	42	Very low	61	Low	109 Å²	109	68.6 Å²	68.6	67%	0.669	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.2	178.7	42.5	0	0	0	0	114.5	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.34Å; A18-T22 PolarHBondContact O-N 2.95Å; A18-T22 PolarHBondContact O-OG1 3.37Å; L19-T22 WeakPolarHBondContact CA-OG1 3.42Å; L19-T22 PolarHBondContact O-OG1 3.42Å
23	W	50.3	Low	63.6	Low	77 Å²	77	63 Å²	63	29%	0.292	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	6.5	-176	-70.8	61.9	0	0	0	113.5	E21 C25 H287 E288 L290	E21-W23 PolarHBondContact O-N 2.93Å; W23-C25 PolarHBondContact O-N 3.35Å; W23-H287 WeakPolarHBondContact CH2-O 3.36Å; W23-H287 WeakPolarHBondContact CZ3-O 3.33Å; W23-E288 HydrophobicContact CE3-CG 4.42Å; W23-E288 VanDerWaalsContact CZ3-C 3.43Å; W23-E288 VanDerWaalsContact CZ3-CA 3.44Å; W23-E288 WeakPolarHBondContact CZ3-O 3.5Å; W23-L290 HydrophobicContact CH2-CB 4.45Å; W23-L290 WeakPolarHBondContact CH2-O 3.37Å; W23-L290 WeakPolarHBondContact CZ3-O 3.13Å
24	A	53.8	Low	66.5	Low	43 Å²	43	60.2 Å²	60.2	36%	0.355	35%	0.352	S	S	.	.	S	Bend	trans	-78.7	101.9	171.2	0	0	0	0	0	107.6	S26 P129	A24-S26 PolarHBondContact O-N 2.91Å; A24-P129 HydrophobicContact CB-CB 4.25Å; A24-P129 HydrophobicContact CB-CG 3.36Å
25	C	71.6	Confident	69.2	Low	61 Å²	61	57.3 Å²	57.3	41%	0.412	33%	0.332	S	S	.	.			trans	-44.8	104	-171.3	-54.5	0	0	0	0	112.3	W23 E288	W23-C25 PolarHBondContact O-N 3.35Å; C25-E288 PolarHBondContact SG-OE1 3.44Å
26	S	88.6	Confident	71.8	Confident	76 Å²	76	57.5 Å²	57.5	53%	0.531	33%	0.326	S	S	.	.			trans	-98.9	138.7	172.7	68.5	0	0	0	0	108.5	A24 L127	A24-S26 PolarHBondContact O-N 2.91Å; S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.37Å; S26-L127 WeakPolarHBondContact CB-O 3.38Å
27	H	93.4	Very high	74.6	Confident	32 Å²	32	56 Å²	56	15%	0.148	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.3	-178	-69.5	-71.4	0	0	0	110.6	D53 L127 L196	H27-D53 VanDerWaalsContact CA-OD1 3.31Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 3.37Å; H27-D53 IonicContact CG-OD2 2.75Å; H27-D53 IonicContact ND1-OD1 3.31Å; H27-D53 IonicContact ND1-OD2 3.17Å; H27-D53 PolarHBondContact ND1-OD2 3.14Å; H27-L127 PolarHBondContact N-O 2.78Å; H27-L127 VanDerWaalsContact N-O 3.08Å; H27-L127 PolarHBondContact O-N 2.68Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å
28	S	95.3	Very high	77.5	Confident	12 Å²	12	54.6 Å²	54.6	8%	0.084	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.6	-178.9	61.4	0	0	0	0	111.6	R30 V52 D53 C125 D126	S28-R30 PolarHBondContact OG-NH1 3.4Å; S28-R30 VanDerWaalsContact OG-NH1 3.1Å; S28-V52 CarbonylContact O-C 3.51Å; S28-V52 WeakPolarHBondContact O-CA 3.4Å; S28-D53 PolarHBondContact N-OD1 2.99Å; S28-D53 PolarHBondContact O-N 3.45Å; S28-D53 PolarHBondContact OG-OD1 2.8Å; S28-C125 VanDerWaalsContact CA-O 3.24Å; S28-C125 WeakPolarHBondContact CA-O 3.4Å; S28-C125 WeakPolarHBondContact CB-O 3.2Å; S28-D126 WeakPolarHBondContact CB-OD1 3.25Å
29	M	97.3	Very high	80.1	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.3	166.6	-172.6	169.3	58.7	0	0	107.6	Y31 Y51 V52 F57 G124 C125 Y188 W191 L192 Y195	M29-Y31 HydrophobicContact CG-CE2 4.27Å; M29-Y31 HydrophobicContact SD-CE2 4.3Å; M29-Y51 WeakPolarHBondContact CA-O 3.41Å; M29-Y51 WeakPolarHBondContact CG-O 3.47Å; M29-V52 HydrophobicContact CB-CG2 4.47Å; M29-V52 HydrophobicContact CG-CG2 4.11Å; M29-V52 HydrophobicContact SD-CG2 4.3Å; M29-F57 HydrophobicContact CG-CE1 4.3Å; M29-F57 HydrophobicContact CG-CZ 4.47Å; M29-F57 HydrophobicContact SD-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.11Å; M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; M29-C125 PolarHBondContact N-O 2.96Å; M29-C125 PolarHBondContact O-N 3.16Å; M29-Y188 HydrophobicContact CB-CE1 3.75Å; M29-Y188 HydrophobicContact CE-CD1 3.63Å; M29-Y188 HydrophobicContact CE-CD2 3.84Å; M29-Y188 HydrophobicContact CE-CE1 3.41Å; M29-Y188 VanDerWaalsContact CE-CE1 3.41Å; M29-Y188 HydrophobicContact CE-CE2 3.64Å; M29-Y188 HydrophobicContact CE-CG 3.84Å; M29-Y188 VanDerWaalsContact CE-O 3.3Å; M29-Y188 WeakPolarHBondContact CE-O 3.34Å; M29-Y188 HydrophobicContact CG-CE1 4.13Å; M29-Y188 WeakPolarHBondContact CG-OH 3.42Å; M29-Y188 WeakPolarHBondContact O-CE1 3.34Å; M29-Y188 PolarHBondContact O-OH 3.38Å; M29-W191 HydrophobicContact CE-CB 4.02Å; M29-L192 HydrophobicContact CB-CB 4.17Å; M29-L192 HydrophobicContact CB-CD1 4.07Å; M29-L192 HydrophobicContact CB-CD2 3.9Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 3.95Å; M29-L192 HydrophobicContact SD-CB 4.3Å; M29-Y195 HydrophobicContact CE-CE2 4.48Å; M29-Y195 HydrophobicContact SD-CD2 3.53Å; M29-Y195 VanDerWaalsContact SD-CD2 3.53Å; M29-Y195 HydrophobicContact SD-CE2 3.45Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.31Å
30	R	97.5	Very high	82.6	Confident	74 Å²	74	55.3 Å²	55.3	28%	0.279	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135.8	-178.3	-58.8	-170.7	-171.1	96.4	4.9	110.7	S28 F32 G50 Y51 M122 D126 Y188	S28-R30 PolarHBondContact OG-NH1 3.4Å; S28-R30 VanDerWaalsContact OG-NH1 3.1Å; R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.69Å; R30-F32 HydrophobicContact CB-CZ 3.96Å; R30-G50 WeakPolarHBondContact O-CA 3.2Å; R30-Y51 PolarHBondContact N-O 3.34Å; R30-Y51 PolarHBondContact O-N 3.19Å; R30-M122 HydrophobicContact CB-SD 4.4Å; R30-M122 HydrophobicContact CG-SD 4.31Å; R30-D126 IonicContact CZ-OD1 2.7Å; R30-D126 IonicContact NE-OD1 3.97Å; R30-D126 IonicContact NH2-OD1 3.78Å; R30-D126 PolarHBondContact NH2-OD1 2.86Å; R30-Y188 PolarHBondContact N-OH 2.92Å
31	Y	98.1	Very high	85.2	Confident	7 Å²	7	61.2 Å²	61.2	3%	0.027	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.8	169.6	-69.6	-93.6	0	0	0	109.4	M29 Y33 V49 F57 V58 M122 Y123 Y188	M29-Y31 HydrophobicContact CG-CE2 4.27Å; M29-Y31 HydrophobicContact SD-CE2 4.3Å; Y31-Y33 HydrophobicContact CD1-CE1 4.24Å; Y31-Y33 HydrophobicContact CG-CE1 4.47Å; Y31-V49 WeakPolarHBondContact CA-O 3.26Å; Y31-F57 HydrophobicContact CE1-CZ 4.19Å; Y31-F57 AromaticContact CZ-CZ 3.83Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; Y31-V58 HydrophobicContact CE1-CG2 3.89Å; Y31-M122 WeakPolarHBondContact O-CA 2.99Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 HydrophobicContact CD2-CE1 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CD2-CE2 3.76Å; Y31-Y123 AromaticContact CD2-CZ 3.68Å; Y31-Y123 HydrophobicContact CG-CE1 4.16Å; Y31-Y123 HydrophobicContact CG-CE2 4.28Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.35Å; Y31-Y123 PolarHBondContact O-N 3.39Å; Y31-Y123 VanDerWaalsContact O-N 3.14Å; Y31-Y188 AromaticContact CD2-CE2 3.8Å; Y31-Y188 HydrophobicContact CD2-CE2 3.8Å; Y31-Y188 AromaticContact CD2-CZ 3.99Å; Y31-Y188 VanDerWaalsContact CD2-OH 3.24Å; Y31-Y188 WeakPolarHBondContact CD2-OH 3.46Å; Y31-Y188 AromaticContact CE2-CE2 3.62Å; Y31-Y188 HydrophobicContact CE2-CE2 3.62Å; Y31-Y188 AromaticContact CE2-CZ 3.95Å; Y31-Y188 WeakPolarHBondContact CE2-OH 3.23Å
32	F	98.7	Very high	87.7	Confident	83 Å²	83	56.4 Å²	56.4	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.5	176.7	-56.7	-95.5	0	0	0	108.6	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.69Å; R30-F32 HydrophobicContact CB-CZ 3.96Å; F32-A48 WeakPolarHBondContact O-CA 3.38Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.38Å; F32-V49 PolarHBondContact N-O 2.7Å; F32-V49 PolarHBondContact O-N 3.4Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; F32-R121 WeakPolarHBondContact CA-O 3.34Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.46Å; F32-M122 HydrophobicContact CZ-CG 3.99Å
33	Y	98.7	Very high	90.2	Very high	10 Å²	10	56.2 Å²	56.2	4%	0.039	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.5	177.6	-61	-15.1	0	0	0	109.4	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.24Å; Y31-Y33 HydrophobicContact CG-CE1 4.47Å; Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.44Å; Y33-F46 HydrophobicContact CD2-CZ 4.13Å; Y33-F46 HydrophobicContact CG-CE2 4.24Å; Y33-F46 AromaticContact CG-CZ 3.91Å; Y33-F46 HydrophobicContact CG-CZ 3.91Å; Y33-I47 WeakPolarHBondContact CA-O 3.33Å; Y33-A48 HydrophobicContact CD1-CB 3.29Å; Y33-A48 HydrophobicContact CE1-CB 3.38Å; Y33-A48 HydrophobicContact CG-CB 4.3Å; Y33-Y91 HydrophobicContact CE1-CD1 4.09Å; Y33-Y91 AromaticContact CE1-CE1 3.85Å; Y33-Y91 HydrophobicContact CE1-CE1 3.85Å; Y33-Q94 HydrophobicContact CD2-CG 3.55Å; Y33-Q94 HydrophobicContact CE2-CB 4.31Å; Y33-Q94 HydrophobicContact CE2-CG 3.65Å; Y33-Q120 CarbonylContact O-C 3.54Å; Y33-Q120 VanDerWaalsContact O-CA 3.3Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; Y33-R121 PolarHBondContact N-O 3.42Å; Y33-R121 PolarHBondContact O-N 3.42Å; Y33-Y123 HydrophobicContact CD2-CE1 4.04Å; Y33-Y123 HydrophobicContact CE1-CE1 4.15Å; Y33-Y123 HydrophobicContact CE2-CD1 4.44Å; Y33-Y123 AromaticContact CE2-CE1 3.48Å; Y33-Y123 HydrophobicContact CE2-CE1 3.48Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.48Å; Y33-Y123 AromaticContact CZ-CE1 3.58Å; Y33-Y123 AromaticContact CZ-CZ 3.99Å; Y33-Y123 PolarHBondContact OH-OH 2.99Å
34	T	98.8	Very high	92.4	Very high	39 Å²	39	53.7 Å²	53.7	24%	0.239	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123	178.2	-67.2	0	0	0	0	109.5	V36 F46 I47 I118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.96Å; T34-F46 WeakPolarHBondContact O-CA 3.4Å; T34-I47 PolarHBondContact N-O 3.02Å; T34-I47 PolarHBondContact O-N 2.92Å; T34-I118 HydrophobicContact CG2-CD1 3.75Å; T34-I118 HydrophobicContact CG2-CG1 4.11Å; T34-I119 WeakPolarHBondContact CA-O 2.92Å; T34-Q120 HydrophobicContact CG2-CG 4.35Å
35	A	98.6	Very high	94.6	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.6	177.9	0	0	0	0	0	110.2	H45 F46 D98 L102 I118 I119	A35-H45 CarbonylContact C-O 3.5Å; A35-H45 VanDerWaalsContact CA-O 3.31Å; A35-H45 WeakPolarHBondContact CA-O 3.28Å; A35-F46 HydrophobicContact CB-CD2 4.2Å; A35-D98 HydrophobicContact CB-CB 3.61Å; A35-L102 HydrophobicContact CB-CD1 4.05Å; A35-I118 WeakPolarHBondContact O-CA 2.95Å; A35-I119 HydrophobicContact CB-CB 4.47Å; A35-I119 PolarHBondContact N-O 3.24Å; A35-I119 PolarHBondContact O-N 2.85Å
36	V	98.5	Very high	95.8	Very high	39 Å²	39	50.1 Å²	50.1	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.5	-178	-173.8	0	0	0	0	109.8	T34 P44 H45 I118	T34-V36 HydrophobicContact CG2-CG2 3.96Å; V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.35Å; V36-H45 PolarHBondContact N-O 3.36Å; V36-H45 PolarHBondContact O-N 3.32Å; V36-I118 HydrophobicContact CG2-CB 4.44Å; V36-I118 HydrophobicContact CG2-CD1 4.01Å; V36-I118 HydrophobicContact CG2-CG1 4.02Å
37	S	97.9	Very high	96.3	Very high	18 Å²	18	48.9 Å²	48.9	13%	0.126	27%	0.268	C	S	.	.			trans	-69.6	139.5	172.5	55.4	0	0	0	0	111.5	S116 H117	S37-S116 PolarHBondContact O-OG 3.01Å; S37-H117 PolarHBondContact N-O 2.79Å; S37-H117 WeakPolarHBondContact OG-CA 3.38Å; S37-H117 PolarHBondContact OG-N 3.19Å; S37-H117 PolarHBondContact OG-O 2.87Å
38	R	96	Very high	96.6	Very high	81 Å²	81	47.4 Å²	47.4	31%	0.306	26%	0.261	S	S	.	.			trans	-131.7	78	-175.3	-61.3	170.8	173.3	176.5	-0.9	110.8	G40 R41 H45 D63	R38-G40 PolarHBondContact O-N 3.4Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 PolarHBondContact O-N 3Å; R38-H45 PolarHBondContact NH2-ND1 3.46Å; R38-D63 IonicContact CZ-OD2 3.47Å; R38-D63 VanDerWaalsContact CZ-OD2 3.27Å; R38-D63 IonicContact NH1-OD1 3.16Å; R38-D63 IonicContact NH1-OD2 3.35Å; R38-D63 PolarHBondContact NH1-OD2 3.33Å; R38-D63 IonicContact NH2-OD2 3.84Å; R38-D63 PolarHBondContact NH2-OD2 2.93Å
39	P	92.4	Very high	96.7	Very high	56 Å²	56	48.1 Å²	48.1	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	130.7	-176.6	-27.4	34.3	0	0	0	113	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.91Å; P39-E113 WeakPolarHBondContact CB-O 3.15Å; P39-E113 WeakPolarHBondContact CG-O 3.44Å; P39-G115 WeakPolarHBondContact CG-O 3.43Å
40	G	90.8	Very high	96.8	Very high	89 Å²	89	48.1 Å²	48.1	92%	0.918	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	3.4	-178.4	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 3.4Å
41	R	92.6	Very high	96.8	Very high	215 Å²	215	48 Å²	48	81%	0.811	27%	0.265	S	S	*	.	S	Bend	trans	-122	23.4	-179.5	-57.6	-173.5	-179.8	-165.5	0.5	113.9	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 PolarHBondContact O-N 3Å; P39-R41 PolarHBondContact O-N 2.91Å
42	G	91.3	Very high	96.8	Very high	61 Å²	61	47.6 Å²	47.6	63%	0.629	26%	0.264	S	S	*	.	S	Bend	trans	100	-151	179.2	0	0	0	0	0	113.2
43	E	94.3	Very high	96.6	Very high	104 Å²	104	44.9 Å²	44.9	49%	0.486	25%	0.253	S	S	.	.	S	Bend	trans	-76.8	162.5	-179.7	-63.9	-58.7	168.3	0	0	112.5	H45 R99	E43-H45 PolarHBondContact O-N 2.95Å; E43-R99 VanDerWaalsContact CD-CZ 3.45Å; E43-R99 VanDerWaalsContact CD-NE 3.31Å; E43-R99 VanDerWaalsContact CD-NH2 3.26Å; E43-R99 IonicContact OE1-CZ 3.74Å; E43-R99 VanDerWaalsContact OE1-CZ 3.23Å; E43-R99 IonicContact OE1-NE 2.77Å; E43-R99 IonicContact OE1-NH2 2.69Å; E43-R99 PolarHBondContact OE1-NH2 2.92Å; E43-R99 WeakPolarHBondContact OE2-CD 3.37Å; E43-R99 IonicContact OE2-CZ 3.72Å; E43-R99 IonicContact OE2-NE 3.92Å; E43-R99 PolarHBondContact OE2-NE 2.88Å; E43-R99 IonicContact OE2-NH2 3.65Å; E43-R99 PolarHBondContact OE2-NH2 2.93Å
44	P	97.1	Very high	96.4	Very high	25 Å²	25	47.3 Å²	47.3	16%	0.162	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-57.5	133.2	168.2	-23.8	35.6	0	0	0	111.5	V36 R99 L102	V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.35Å; P44-R99 HydrophobicContact CG-CB 4.25Å; P44-R99 HydrophobicContact CG-CG 4.03Å; P44-L102 HydrophobicContact CB-CD1 3.58Å; P44-L102 HydrophobicContact CG-CD1 3.73Å
45	H	98.4	Very high	96.3	Very high	25 Å²	25	46.5 Å²	46.5	12%	0.116	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129.6	173.6	174.3	-147.1	0	0	0	109.6	A35 V36 R38 E43 D61 S62 D63	A35-H45 CarbonylContact C-O 3.5Å; A35-H45 VanDerWaalsContact CA-O 3.31Å; A35-H45 WeakPolarHBondContact CA-O 3.28Å; V36-H45 PolarHBondContact N-O 3.36Å; V36-H45 PolarHBondContact O-N 3.32Å; R38-H45 PolarHBondContact NH2-ND1 3.46Å; E43-H45 PolarHBondContact O-N 2.95Å; H45-D61 IonicContact CD2-OD1 3.64Å; H45-D61 IonicContact CE1-OD1 3.62Å; H45-D61 IonicContact NE2-OD1 2.69Å; H45-D61 PolarHBondContact NE2-OD1 2.84Å; H45-D61 IonicContact NE2-OD2 2.64Å; H45-S62 PolarHBondContact CD2-OG 3.33Å; H45-D63 IonicContact CD2-OD1 3.44Å; H45-D63 PolarHBondContact CD2-OD1 2.93Å; H45-D63 IonicContact CD2-OD2 2.87Å; H45-D63 PolarHBondContact CD2-OD2 3.46Å; H45-D63 IonicContact CE1-OD2 3.56Å; H45-D63 IonicContact CG-OD1 3.82Å; H45-D63 IonicContact CG-OD2 2.77Å; H45-D63 IonicContact ND1-OD2 3.76Å; H45-D63 IonicContact NE2-OD1 3.22Å; H45-D63 IonicContact NE2-OD2 3.54Å
46	F	98.7	Very high	96.3	Very high	3 Å²	3	49 Å²	49	1%	0.013	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.7	179.9	178.2	-91.7	0	0	0	110.2	Y33 T34 A35 A48 F60 S62 Q94 A95	Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.44Å; Y33-F46 HydrophobicContact CD2-CZ 4.13Å; Y33-F46 HydrophobicContact CG-CE2 4.24Å; Y33-F46 AromaticContact CG-CZ 3.91Å; Y33-F46 HydrophobicContact CG-CZ 3.91Å; T34-F46 WeakPolarHBondContact O-CA 3.4Å; A35-F46 HydrophobicContact CB-CD2 4.2Å; F46-A48 HydrophobicContact CE1-CB 3.72Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; F46-F60 AromaticContact CD1-CD1 3.76Å; F46-F60 HydrophobicContact CD1-CD1 3.76Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CE1 4.36Å; F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 PolarHBondContact O-N 3.41Å; F46-Q94 HydrophobicContact CE2-CB 4.31Å; F46-Q94 HydrophobicContact CE2-CG 3.68Å; F46-Q94 HydrophobicContact CZ-CB 3.99Å; F46-Q94 HydrophobicContact CZ-CG 3.69Å; F46-A95 HydrophobicContact CB-CB 3.74Å; F46-A95 HydrophobicContact CD1-CB 3.83Å; F46-A95 HydrophobicContact CD2-CB 4.1Å; F46-A95 HydrophobicContact CE1-CB 4.47Å; F46-A95 HydrophobicContact CG-CB 3.62Å
47	I	98.7	Very high	96.2	Very high	51 Å²	51	47.2 Å²	47.2	26%	0.262	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.8	169.5	-58.1	173.8	0	0	0	107.9	Y33 T34 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.33Å; T34-I47 PolarHBondContact N-O 3.02Å; T34-I47 PolarHBondContact O-N 2.92Å; I47-V49 HydrophobicContact CG2-CG1 4.25Å; I47-F60 WeakPolarHBondContact CA-O 3.13Å
48	A	98.7	Very high	96.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.5	165.5	0	0	0	0	0	110.1	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.38Å; Y33-A48 HydrophobicContact CD1-CB 3.29Å; Y33-A48 HydrophobicContact CE1-CB 3.38Å; Y33-A48 HydrophobicContact CG-CB 4.3Å; F46-A48 HydrophobicContact CE1-CB 3.72Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; A48-R59 CarbonylContact O-C 3.6Å; A48-R59 WeakPolarHBondContact O-CA 3.19Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.99Å; A48-F60 PolarHBondContact O-N 2.9Å; A48-Y91 HydrophobicContact CB-CD1 3.6Å; A48-Y91 HydrophobicContact CB-CE1 3.71Å; A48-Y91 HydrophobicContact CB-CG 4.44Å
49	V	98.8	Very high	96.4	Very high	28 Å²	28	46.6 Å²	46.6	17%	0.17	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.1	171.6	-63.1	0	0	0	0	109.9	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.26Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.38Å; F32-V49 PolarHBondContact N-O 2.7Å; F32-V49 PolarHBondContact O-N 3.4Å; I47-V49 HydrophobicContact CG2-CG1 4.25Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; V49-V58 WeakPolarHBondContact CA-O 3.36Å; V49-R59 HydrophobicContact CG1-CG 4.3Å
50	G	98.3	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.6	177.2	0	0	0	0	0	110.9	R30 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.2Å; G50-F57 WeakPolarHBondContact O-CD1 3.46Å; G50-F57 PolarHBondContact O-N 2.86Å; G50-V58 PolarHBondContact N-O 3.22Å; G50-V58 PolarHBondContact O-N 3.14Å
51	Y	98.2	Very high	97	Very high	71 Å²	71	41 Å²	41	28%	0.278	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.6	-180	-75.3	-103.9	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.41Å; M29-Y51 WeakPolarHBondContact CG-O 3.47Å; R30-Y51 PolarHBondContact N-O 3.34Å; R30-Y51 PolarHBondContact O-N 3.19Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.31Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 HydrophobicContact CD2-CG 4.34Å; Y51-Q56 HydrophobicContact CE1-CB 3.58Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å
52	V	97.3	Very high	97.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.9	156.5	177.1	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.51Å; S28-V52 WeakPolarHBondContact O-CA 3.4Å; M29-V52 HydrophobicContact CB-CG2 4.47Å; M29-V52 HydrophobicContact CG-CG2 4.11Å; M29-V52 HydrophobicContact SD-CG2 4.3Å; V52-D54 PolarHBondContact O-N 3.15Å; V52-T55 PolarHBondContact N-O 2.95Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 2.7Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.9Å; V52-W75 HydrophobicContact CB-CH2 4.33Å; V52-W75 HydrophobicContact CB-CZ2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.57Å; V52-L192 HydrophobicContact CG2-CD1 4.17Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.18Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å
53	D	94.9	Very high	97.6	Very high	25 Å²	25	33.7 Å²	33.7	13%	0.134	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-126	-165.8	-54.3	-43.2	0	0	0	110.6	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.31Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 3.37Å; H27-D53 IonicContact CG-OD2 2.75Å; H27-D53 IonicContact ND1-OD1 3.31Å; H27-D53 IonicContact ND1-OD2 3.17Å; H27-D53 PolarHBondContact ND1-OD2 3.14Å; S28-D53 PolarHBondContact N-OD1 2.99Å; S28-D53 PolarHBondContact O-N 3.45Å; S28-D53 PolarHBondContact OG-OD1 2.8Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	95.3	Very high	97.7	Very high	62 Å²	62	30.4 Å²	30.4	33%	0.332	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.9	177.5	-62.6	-56.7	0	0	0	113.8	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.15Å; D54-Y233 HydrophobicContact CB-CE2 4.05Å; D54-P234 VanDerWaalsContact OD2-CB 3.32Å; D54-P234 WeakPolarHBondContact OD2-CB 3.08Å; D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 VanDerWaalsContact OD2-CB 3.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.01Å; D54-A235 PolarHBondContact OD2-N 3.02Å; D54-F265 HydrophobicContact CB-CE2 3.75Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	96.2	Very high	97.7	Very high	22 Å²	22	34.9 Å²	34.9	14%	0.135	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.1	-176.7	-63.9	0	0	0	0	111.7	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.31Å; V52-T55 PolarHBondContact N-O 2.95Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 2.7Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.91Å; T55-A73 HydrophobicContact CG2-CB 4.33Å; T55-W75 HydrophobicContact CG2-CZ2 4.43Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.39Å; T55-Y233 PolarHBondContact OG1-OH 3.47Å
56	Q	97.3	Very high	97.6	Very high	55 Å²	55	37.7 Å²	37.7	26%	0.257	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.3	171.5	-166.2	-176.7	0.8	0	0	110.4	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 HydrophobicContact CD2-CG 4.34Å; Y51-Q56 HydrophobicContact CE1-CB 3.58Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å; Q56-V58 PolarHBondContact NE2-O 3.02Å; Q56-V58 VanDerWaalsContact NE2-O 3.08Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.43Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	97.8	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-22.8	180	75.8	-82.3	0	0	0	114.5	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.3Å; M29-F57 HydrophobicContact CG-CZ 4.47Å; M29-F57 HydrophobicContact SD-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.11Å; Y31-F57 HydrophobicContact CE1-CZ 4.19Å; Y31-F57 AromaticContact CZ-CZ 3.83Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; G50-F57 WeakPolarHBondContact O-CD1 3.46Å; G50-F57 PolarHBondContact O-N 2.86Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.9Å; T55-F57 PolarHBondContact O-N 2.91Å; F57-R72 PolarHBondContact O-N 2.91Å; F57-A73 HydrophobicContact CB-CB 4.09Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.92Å; F57-W75 AromaticContact CD1-CH2 3.98Å; F57-W75 HydrophobicContact CD1-CH2 3.98Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 AromaticContact CD2-CZ3 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 3.98Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.09Å; F57-W75 HydrophobicContact CG-CZ3 4.07Å; F57-V76 HydrophobicContact CB-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CB 4.38Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.17Å; F57-V76 VanDerWaalsContact O-CG1 3.28Å; F57-V76 WeakPolarHBondContact O-CG1 3.29Å; F57-Y195 HydrophobicContact CD2-CE2 4.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.16Å; F57-Y195 AromaticContact CE2-CE2 3.56Å; F57-Y195 HydrophobicContact CE2-CE2 3.56Å; F57-Y195 AromaticContact CE2-CZ 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.2Å; F57-Y195 AromaticContact CZ-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CE2 3.7Å
58	V	98.3	Very high	97.5	Very high	1 Å²	1	44 Å²	44	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.9	175.9	-73.8	0	0	0	0	113.3	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.89Å; V49-V58 WeakPolarHBondContact CA-O 3.36Å; G50-V58 PolarHBondContact N-O 3.22Å; G50-V58 PolarHBondContact O-N 3.14Å; Q56-V58 PolarHBondContact NE2-O 3.02Å; Q56-V58 VanDerWaalsContact NE2-O 3.08Å; V58-E70 WeakPolarHBondContact CA-O 3.4Å; V58-W84 HydrophobicContact CG1-CH2 3.88Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.32Å
59	R	98.4	Very high	97.4	Very high	85 Å²	85	44.2 Å²	44.2	32%	0.321	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.1	167.8	179.7	172.4	171.7	159.1	-2.8	110.7	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.6Å; A48-R59 WeakPolarHBondContact O-CA 3.19Å; V49-R59 HydrophobicContact CG1-CG 4.3Å; R59-D61 IonicContact CZ-OD2 3.25Å; R59-D61 IonicContact NE-OD2 3.1Å; R59-D61 IonicContact NH2-OD2 2.79Å; R59-D61 PolarHBondContact NH2-OD2 3.09Å; R59-E70 PolarHBondContact N-O 3.5Å; R59-E70 PolarHBondContact O-N 3.05Å; R59-R72 HydrophobicContact CB-CG 3.95Å
60	F	98.8	Very high	97.4	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.4	161.2	175.4	-80.5	0	0	0	108.8	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.76Å; F46-F60 HydrophobicContact CD1-CD1 3.76Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CE1 4.36Å; I47-F60 WeakPolarHBondContact CA-O 3.13Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.99Å; A48-F60 PolarHBondContact O-N 2.9Å; F60-P67 HydrophobicContact CE1-CB 4.45Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; F60-R68 VanDerWaalsContact CD2-C 3.44Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; F60-Y91 HydrophobicContact CB-CD1 4.27Å; F60-Y91 HydrophobicContact CB-CD2 3.51Å; F60-Y91 HydrophobicContact CB-CE2 3.99Å; F60-Y91 HydrophobicContact CB-CG 3.68Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.66Å; F60-Y91 HydrophobicContact CD2-CD2 3.66Å; F60-Y91 AromaticContact CD2-CG 3.93Å; F60-Y91 HydrophobicContact CD2-CG 3.93Å; F60-Y91 AromaticContact CG-CD2 3.78Å; F60-Y91 HydrophobicContact CG-CD2 3.78Å; F60-Y91 AromaticContact CG-CG 3.76Å; F60-Y91 HydrophobicContact CG-CG 3.76Å; F60-K92 HydrophobicContact CE2-CG 4.13Å; F60-K92 HydrophobicContact CZ-CG 3.91Å
61	D	98.6	Very high	97.4	Very high	25 Å²	25	47.8 Å²	47.8	13%	0.134	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	119.9	179.9	-163.1	-41	0	0	0	109.4	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 3.64Å; H45-D61 IonicContact CE1-OD1 3.62Å; H45-D61 IonicContact NE2-OD1 2.69Å; H45-D61 PolarHBondContact NE2-OD1 2.84Å; H45-D61 IonicContact NE2-OD2 2.64Å; R59-D61 IonicContact CZ-OD2 3.25Å; R59-D61 IonicContact NE-OD2 3.1Å; R59-D61 IonicContact NH2-OD2 2.79Å; R59-D61 PolarHBondContact NH2-OD2 3.09Å; D61-D63 VanDerWaalsContact C-N 3.26Å; D61-D63 PolarHBondContact O-N 2.85Å; D61-D63 PolarHBondContact OD1-N 2.68Å; D61-D63 VanDerWaalsContact OD1-N 3.11Å; D61-A64 HydrophobicContact CB-CB 4.35Å; D61-A64 WeakPolarHBondContact O-CB 3.4Å; D61-A64 PolarHBondContact O-N 3.37Å
62	S	98.2	Very high	97.3	Very high	36 Å²	36	50.2 Å²	50.2	25%	0.252	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.8	-177.2	72.7	0	0	0	0	113.9	H45 F46 A64 P67	H45-S62 PolarHBondContact CD2-OG 3.33Å; F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 PolarHBondContact O-N 3.41Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.23Å
63	D	97.4	Very high	97.3	Very high	86 Å²	86	50.5 Å²	50.5	46%	0.46	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.7	-179.8	-70.9	6.8	0	0	0	111.8	R38 H45 D61	R38-D63 IonicContact CZ-OD2 3.47Å; R38-D63 VanDerWaalsContact CZ-OD2 3.27Å; R38-D63 IonicContact NH1-OD1 3.16Å; R38-D63 IonicContact NH1-OD2 3.35Å; R38-D63 PolarHBondContact NH1-OD2 3.33Å; R38-D63 IonicContact NH2-OD2 3.84Å; R38-D63 PolarHBondContact NH2-OD2 2.93Å; H45-D63 IonicContact CD2-OD1 3.44Å; H45-D63 PolarHBondContact CD2-OD1 2.93Å; H45-D63 IonicContact CD2-OD2 2.87Å; H45-D63 PolarHBondContact CD2-OD2 3.46Å; H45-D63 IonicContact CE1-OD2 3.56Å; H45-D63 IonicContact CG-OD1 3.82Å; H45-D63 IonicContact CG-OD2 2.77Å; H45-D63 IonicContact ND1-OD2 3.76Å; H45-D63 IonicContact NE2-OD1 3.22Å; H45-D63 IonicContact NE2-OD2 3.54Å; D61-D63 VanDerWaalsContact C-N 3.26Å; D61-D63 PolarHBondContact O-N 2.85Å; D61-D63 PolarHBondContact OD1-N 2.68Å; D61-D63 VanDerWaalsContact OD1-N 3.11Å
64	A	97.3	Very high	97.3	Very high	35 Å²	35	54.1 Å²	54.1	29%	0.289	30%	0.303	S	S	.	.	S	Bend	trans	-63.1	148.6	174	0	0	0	0	0	111.7	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.35Å; D61-A64 WeakPolarHBondContact O-CB 3.4Å; D61-A64 PolarHBondContact O-N 3.37Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.45Å; A64-S66 VanDerWaalsContact O-N 3.11Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.31Å
65	A	96.7	Very high	97.3	Very high	119 Å²	119	51.9 Å²	51.9	98%	0.983	29%	0.289	S	S	*	.	S	Bend	trans	-60.9	-24.5	-178.8	0	0	0	0	0	114
66	S	96.1	Very high	97.4	Very high	84 Å²	84	50.8 Å²	50.8	59%	0.587	28%	0.283	S	S	*	.	S	Bend	trans	-140.7	89.3	169.8	-173	0	0	0	0	109	A64 R68	A64-S66 PolarHBondContact O-N 3.45Å; A64-S66 VanDerWaalsContact O-N 3.11Å; S66-R68 PolarHBondContact O-N 2.84Å; S66-R68 VanDerWaalsContact O-N 3.15Å
67	P	97.1	Very high	97.3	Very high	35 Å²	35	54 Å²	54	23%	0.227	30%	0.298	C	S	.	.			trans	-64.7	115.5	-173.8	-25.1	36.3	0	0	0	111.9	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.45Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; S62-P67 WeakPolarHBondContact O-CG 3.23Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.31Å; P67-K92 WeakPolarHBondContact O-CE 3.46Å; P67-K92 PolarHBondContact O-NZ 2.58Å
68	R	97.9	Very high	97.1	Very high	152 Å²	152	60 Å²	60	57%	0.574	33%	0.326	S	S	*	.			trans	-147.4	162.5	177.4	62.4	-177.7	174.9	177.3	0.7	110.1	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.44Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; S66-R68 PolarHBondContact O-N 2.84Å; S66-R68 VanDerWaalsContact O-N 3.15Å; R68-E70 HydrophobicContact CG-CG 4.3Å; R68-T88 WeakPolarHBondContact CA-OG1 3.26Å; R68-T88 HydrophobicContact CB-CG2 4.19Å
69	G	97.6	Very high	97	Very high	5 Å²	5	60.4 Å²	60.4	5%	0.052	33%	0.328	C	S	.	.			trans	-65.1	133.4	165.9	0	0	0	0	0	109.4	T88	G69-T88 PolarHBondContact N-OG1 3Å
70	E	97.8	Very high	96.9	Very high	55 Å²	55	57.7 Å²	57.7	26%	0.257	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134	-179.5	-62.3	-177.8	148.6	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.4Å; R59-E70 PolarHBondContact N-O 3.5Å; R59-E70 PolarHBondContact O-N 3.05Å; R68-E70 HydrophobicContact CG-CG 4.3Å; E70-R72 IonicContact OE2-CZ 3.27Å; E70-R72 IonicContact OE2-NH2 2.96Å; E70-R72 PolarHBondContact OE2-NH2 3.01Å
71	P	97.9	Very high	96.8	Very high	48 Å²	48	61.7 Å²	61.7	31%	0.312	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	147.4	172.3	28.4	-34.5	0	0	0	110.9	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.85Å; P71-E77 HydrophobicContact CB-CG 3.69Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.88Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.31Å
72	R	97.4	Very high	96.7	Very high	122 Å²	122	67.3 Å²	67.3	46%	0.46	38%	0.378	S	S	.	.			trans	-130.5	-3.5	175.1	-60.3	-65.7	167.3	174	-3.9	113.2	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.43Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.91Å; R59-R72 HydrophobicContact CB-CG 3.95Å; E70-R72 IonicContact OE2-CZ 3.27Å; E70-R72 IonicContact OE2-NH2 2.96Å; E70-R72 PolarHBondContact OE2-NH2 3.01Å
73	A	95.8	Very high	96.6	Very high	5 Å²	5	66.1 Å²	66.1	4%	0.041	37%	0.368	C	S	.	.	S	Bend	trans	-135.2	143.2	170.8	0	0	0	0	0	110.7	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.33Å; F57-A73 HydrophobicContact CB-CB 4.09Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.07Å; A73-W75 PolarHBondContact O-N 2.81Å; A73-V76 VanDerWaalsContact O-CG1 3.32Å; A73-V76 WeakPolarHBondContact O-CG1 3.35Å; A73-V76 PolarHBondContact O-N 2.94Å
74	P	95.9	Very high	96.7	Very high	102 Å²	102	63.9 Å²	63.9	66%	0.662	35%	0.353	S	S	*	.	H	α-helix	trans	-58.6	-35	-176.3	-26.8	35.3	0	0	0	114.2	V76 E77	P74-V76 PolarHBondContact O-N 2.82Å; P74-E77 WeakPolarHBondContact O-CB 3.33Å; P74-E77 PolarHBondContact O-N 2.91Å
75	W	95.6	Very high	96.7	Very high	14 Å²	14	67.1 Å²	67.1	5%	0.053	37%	0.365	C	S	.	.	H	α-helix	trans	-70.1	-11.8	-175.6	54.3	-108.6	0	0	0	115.1	V52 T55 F57 A73 Q78 Y195 N198 G199 L203	V52-W75 HydrophobicContact CB-CH2 4.33Å; V52-W75 HydrophobicContact CB-CZ2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; T55-W75 HydrophobicContact CG2-CZ2 4.43Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.92Å; F57-W75 AromaticContact CD1-CH2 3.98Å; F57-W75 HydrophobicContact CD1-CH2 3.98Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 AromaticContact CD2-CZ3 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 3.98Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.09Å; F57-W75 HydrophobicContact CG-CZ3 4.07Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.07Å; A73-W75 PolarHBondContact O-N 2.81Å; W75-Q78 WeakPolarHBondContact O-CG 3.44Å; W75-Q78 PolarHBondContact O-NE2 3.38Å; W75-Y195 HydrophobicContact CE3-CD1 4.37Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.69Å; W75-Y195 HydrophobicContact CZ3-CD1 3.69Å; W75-Y195 HydrophobicContact CZ3-CD2 4.32Å; W75-Y195 HydrophobicContact CZ3-CE1 4.47Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; W75-N198 WeakPolarHBondContact CB-O 3.5Å; W75-G199 VanDerWaalsContact CB-CA 3.48Å; W75-G199 VanDerWaalsContact CG-CA 3.43Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.77Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å
76	V	97.1	Very high	96.7	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-97.3	-14.8	170.8	74	0	0	0	0	112.4	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CB 4.38Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.17Å; F57-V76 VanDerWaalsContact O-CG1 3.28Å; F57-V76 WeakPolarHBondContact O-CG1 3.29Å; P71-V76 HydrophobicContact CB-CG1 3.85Å; A73-V76 VanDerWaalsContact O-CG1 3.32Å; A73-V76 WeakPolarHBondContact O-CG1 3.35Å; A73-V76 PolarHBondContact O-N 2.94Å; P74-V76 PolarHBondContact O-N 2.82Å; V76-Q78 PolarHBondContact O-N 2.65Å; V76-E79 HydrophobicContact CG2-CB 4.45Å; V76-E79 HydrophobicContact CG2-CG 3.77Å; V76-E79 WeakPolarHBondContact O-CB 3.47Å; V76-E79 WeakPolarHBondContact O-CG 3.02Å; V76-E79 PolarHBondContact O-N 3.3Å; V76-Y83 HydrophobicContact CG2-CE1 4.08Å; V76-W84 HydrophobicContact CG1-CH2 4Å; V76-W84 HydrophobicContact CG1-CZ2 4.22Å; V76-W84 HydrophobicContact CG2-CH2 4.02Å; V76-W84 HydrophobicContact CG2-CZ2 4Å; V76-W84 WeakPolarHBondContact O-CZ2 3.13Å; V76-Y195 HydrophobicContact CG2-CE1 4.38Å
77	E	95.4	Very high	96.7	Very high	123 Å²	123	62.8 Å²	62.8	58%	0.575	31%	0.311	S	S	*	.	H	α-helix	trans	-62.8	-24.9	179.2	-63.8	-176.4	-178.6	0	0	113.1	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.69Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P74-E77 WeakPolarHBondContact O-CB 3.33Å; P74-E77 PolarHBondContact O-N 2.91Å; E77-E79 PolarHBondContact O-N 2.87Å
78	Q	94.4	Very high	96.8	Very high	125 Å²	125	61.8 Å²	61.8	58%	0.584	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-7.9	174	65	-179	-13.1	0	0	114.5	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.44Å; W75-Q78 PolarHBondContact O-NE2 3.38Å; V76-Q78 PolarHBondContact O-N 2.65Å; Q78-N198 VanDerWaalsContact NE2-CB 3.3Å; Q78-N198 PolarHBondContact NE2-ND2 3.03Å
79	E	96.4	Very high	96.8	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.047	30%	0.304	C	S	.	.	S	Bend	trans	-68.8	136	174.8	-67.2	-62.5	163.5	0	0	111.2	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.45Å; V76-E79 HydrophobicContact CG2-CG 3.77Å; V76-E79 WeakPolarHBondContact O-CB 3.47Å; V76-E79 WeakPolarHBondContact O-CG 3.02Å; V76-E79 PolarHBondContact O-N 3.3Å; E77-E79 PolarHBondContact O-N 2.87Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.24Å; E79-W84 VanDerWaalsContact O-CD1 3.3Å; E79-W84 PolarHBondContact O-NE1 3.44Å; E79-R194 VanDerWaalsContact CD-NH2 3.35Å; E79-R194 IonicContact OE1-CZ 2.75Å; E79-R194 IonicContact OE1-NE 3.83Å; E79-R194 PolarHBondContact OE1-NE 2.94Å; E79-R194 IonicContact OE1-NH2 3.33Å; E79-R194 PolarHBondContact OE1-NH2 3.44Å; E79-R194 IonicContact OE2-CZ 3.21Å; E79-R194 IonicContact OE2-NE 2.74Å; E79-R194 PolarHBondContact OE2-NE 2.85Å; E79-R194 IonicContact OE2-NH2 3.47Å; E79-R194 PolarHBondContact OE2-NH2 3.42Å; E79-N198 PolarHBondContact OE1-ND2 3.23Å
80	G	95.7	Very high	96.8	Very high	27 Å²	27	62.3 Å²	62.3	28%	0.278	31%	0.313	S	S	.	.			trans	-67.5	166.4	-173.2	0	0	0	0	0	114.6	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.96Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 2.92Å; G80-W84 VanDerWaalsContact O-CD1 3.31Å; G80-W84 PolarHBondContact O-N 2.85Å
81	P	96.6	Very high	96.8	Very high	87 Å²	87	59.7 Å²	59.7	57%	0.565	30%	0.301	S	S	*	.	H	α-helix	trans	-57.9	-32.9	-179.5	24.4	-33.2	0	0	0	112.8	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.23Å; P81-W84 PolarHBondContact O-N 3.09Å; P81-D85 WeakPolarHBondContact O-CB 2.95Å; P81-D85 PolarHBondContact O-N 3.13Å
82	E	97	Very high	96.8	Very high	144 Å²	144	62 Å²	62	67%	0.673	31%	0.306	S	S	*	.	H	α-helix	trans	-63.1	-32.2	177.8	-58.1	79.3	-175.1	0	0	112.6	G80 R86	G80-E82 PolarHBondContact O-N 2.96Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.21Å; E82-R86 PolarHBondContact O-N 2.72Å; E82-R86 VanDerWaalsContact O-N 3.14Å
83	Y	96.6	Very high	96.8	Very high	10 Å²	10	63.6 Å²	63.6	4%	0.039	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-52.7	172.9	169.4	-92.9	0	0	0	110.2	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.24Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 2.92Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.23Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.99Å; Y83-R86 PolarHBondContact O-N 3.09Å; Y83-E87 HydrophobicContact CD2-CG 4.2Å; Y83-E87 HydrophobicContact CE1-CG 4.15Å; Y83-E87 HydrophobicContact CE2-CG 3.81Å; Y83-E87 WeakPolarHBondContact O-CG 3.49Å; Y83-E87 PolarHBondContact O-N 2.83Å; Y83-W191 AromaticContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CZ2 4.31Å; Y83-W191 AromaticContact CD2-CZ3 3.78Å; Y83-W191 HydrophobicContact CD2-CZ3 3.78Å; Y83-W191 HydrophobicContact CE2-CE3 4.21Å; Y83-W191 HydrophobicContact CE2-CH2 4.05Å; Y83-W191 AromaticContact CE2-CZ3 3.79Å; Y83-W191 HydrophobicContact CE2-CZ3 3.79Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.18Å; Y83-Y195 PolarHBondContact OH-OH 2.84Å
84	W	97.8	Very high	96.9	Very high	40 Å²	40	64.7 Å²	64.7	15%	0.152	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-37.5	-177.5	-66.9	109.5	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.88Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.88Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.31Å; V76-W84 HydrophobicContact CG1-CH2 4Å; V76-W84 HydrophobicContact CG1-CZ2 4.22Å; V76-W84 HydrophobicContact CG2-CH2 4.02Å; V76-W84 HydrophobicContact CG2-CZ2 4Å; V76-W84 WeakPolarHBondContact O-CZ2 3.13Å; E79-W84 VanDerWaalsContact O-CD1 3.3Å; E79-W84 PolarHBondContact O-NE1 3.44Å; G80-W84 VanDerWaalsContact O-CD1 3.31Å; G80-W84 PolarHBondContact O-N 2.85Å; P81-W84 PolarHBondContact O-N 3.09Å; W84-T88 WeakPolarHBondContact O-CB 3.16Å; W84-T88 PolarHBondContact O-N 2.9Å; W84-T88 PolarHBondContact O-OG1 2.79Å
85	D	97.9	Very high	97	Very high	102 Å²	102	60.6 Å²	60.6	55%	0.545	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-45	173.8	-81.8	-20.2	0	0	0	111.5	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 2.95Å; P81-D85 PolarHBondContact O-N 3.13Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.99Å; D85-T88 PolarHBondContact O-N 3.17Å; D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-N 3.21Å
86	R	96.8	Very high	97.1	Very high	99 Å²	99	64.9 Å²	64.9	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-48.6	178.1	-172.7	-172.5	70.5	-151	-3	111.6	E82 Y83 T88 Q89 N90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.21Å; E82-R86 PolarHBondContact O-N 2.72Å; E82-R86 VanDerWaalsContact O-N 3.14Å; Y83-R86 PolarHBondContact O-N 3.09Å; R86-T88 PolarHBondContact O-N 2.9Å; R86-Q89 PolarHBondContact O-N 2.85Å; R86-N90 VanDerWaalsContact O-CG 3.27Å; R86-N90 PolarHBondContact O-N 3.49Å; R86-N90 PolarHBondContact O-ND2 3.02Å
87	E	96.9	Very high	97.1	Very high	14 Å²	14	67.7 Å²	67.7	7%	0.065	33%	0.329	C	S	.	.	H	α-helix	trans	-66.7	-38.6	178.9	-60.7	-38.6	131.5	0	0	111.7	Y83 Q89 N90 Y91	Y83-E87 HydrophobicContact CD2-CG 4.2Å; Y83-E87 HydrophobicContact CE1-CG 4.15Å; Y83-E87 HydrophobicContact CE2-CG 3.81Å; Y83-E87 WeakPolarHBondContact O-CG 3.49Å; Y83-E87 PolarHBondContact O-N 2.83Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.88Å; E87-N90 WeakPolarHBondContact O-CB 3.36Å; E87-N90 PolarHBondContact O-N 2.85Å; E87-N90 VanDerWaalsContact O-N 3.12Å; E87-N90 PolarHBondContact OE2-ND2 2.82Å; E87-Y91 HydrophobicContact CB-CD2 4.5Å; E87-Y91 HydrophobicContact CB-CE2 3.92Å; E87-Y91 WeakPolarHBondContact O-CD2 3.42Å; E87-Y91 PolarHBondContact O-N 2.96Å
88	T	98.3	Very high	97.3	Very high	13 Å²	13	62 Å²	62	8%	0.08	30%	0.303	C	S	.	.	H	α-helix	trans	-57	-41.4	171	-66	0	0	0	0	112.4	R68 G69 W84 D85 R86 K92	R68-T88 WeakPolarHBondContact CA-OG1 3.26Å; R68-T88 HydrophobicContact CB-CG2 4.19Å; G69-T88 PolarHBondContact N-OG1 3Å; W84-T88 WeakPolarHBondContact O-CB 3.16Å; W84-T88 PolarHBondContact O-N 2.9Å; W84-T88 PolarHBondContact O-OG1 2.79Å; D85-T88 PolarHBondContact O-N 3.17Å; R86-T88 PolarHBondContact O-N 2.9Å; T88-K92 HydrophobicContact CG2-CD 4Å; T88-K92 WeakPolarHBondContact O-CB 3.39Å; T88-K92 WeakPolarHBondContact O-CG 3.44Å; T88-K92 PolarHBondContact O-N 2.9Å; T88-K92 VanDerWaalsContact O-N 3.08Å
89	Q	98.1	Very high	97.4	Very high	121 Å²	121	59.3 Å²	59.3	57%	0.565	29%	0.287	S	S	*	.	H	α-helix	trans	-69.1	-38.1	175.3	-72.3	179.4	21.6	0	0	112.4	D85 R86 E87 K92 R93	D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-N 3.21Å; R86-Q89 PolarHBondContact O-N 2.85Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.88Å; Q89-K92 PolarHBondContact O-N 2.84Å; Q89-R93 WeakPolarHBondContact O-CB 3.31Å; Q89-R93 PolarHBondContact O-N 2.03Å
90	N	96.6	Very high	97.4	Very high	47 Å²	47	61.6 Å²	61.6	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-60.8	-50.6	175.2	-69.6	-23.5	0	0	0	111	R86 E87 K92 R93 Q94	R86-N90 VanDerWaalsContact O-CG 3.27Å; R86-N90 PolarHBondContact O-N 3.49Å; R86-N90 PolarHBondContact O-ND2 3.02Å; E87-N90 WeakPolarHBondContact O-CB 3.36Å; E87-N90 PolarHBondContact O-N 2.85Å; E87-N90 VanDerWaalsContact O-N 3.12Å; E87-N90 PolarHBondContact OE2-ND2 2.82Å; N90-K92 PolarHBondContact O-N 2.85Å; N90-R93 PolarHBondContact O-N 2.87Å; N90-Q94 PolarHBondContact O-N 3.27Å
91	Y	98.4	Very high	97.5	Very high	1 Å²	1	62 Å²	62	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-43.8	176.7	-60.3	-49.6	0	0	0	112.3	Y33 A48 V58 F60 E87 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.09Å; Y33-Y91 AromaticContact CE1-CE1 3.85Å; Y33-Y91 HydrophobicContact CE1-CE1 3.85Å; A48-Y91 HydrophobicContact CB-CD1 3.6Å; A48-Y91 HydrophobicContact CB-CE1 3.71Å; A48-Y91 HydrophobicContact CB-CG 4.44Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.32Å; F60-Y91 HydrophobicContact CB-CD1 4.27Å; F60-Y91 HydrophobicContact CB-CD2 3.51Å; F60-Y91 HydrophobicContact CB-CE2 3.99Å; F60-Y91 HydrophobicContact CB-CG 3.68Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.66Å; F60-Y91 HydrophobicContact CD2-CD2 3.66Å; F60-Y91 AromaticContact CD2-CG 3.93Å; F60-Y91 HydrophobicContact CD2-CG 3.93Å; F60-Y91 AromaticContact CG-CD2 3.78Å; F60-Y91 HydrophobicContact CG-CD2 3.78Å; F60-Y91 AromaticContact CG-CG 3.76Å; F60-Y91 HydrophobicContact CG-CG 3.76Å; E87-Y91 HydrophobicContact CB-CD2 4.5Å; E87-Y91 HydrophobicContact CB-CE2 3.92Å; E87-Y91 WeakPolarHBondContact O-CD2 3.42Å; E87-Y91 PolarHBondContact O-N 2.96Å; Y91-R93 PolarHBondContact O-N 3.25Å; Y91-Q94 PolarHBondContact O-N 2.79Å; Y91-A95 WeakPolarHBondContact O-CB 3.33Å; Y91-A95 PolarHBondContact O-N 2.82Å
92	K	98.3	Very high	97.6	Very high	95 Å²	95	58.2 Å²	58.2	41%	0.413	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-38.3	176.5	-77.6	171	179.3	163.9	0	112.7	F60 P67 T88 Q89 N90 Q96	F60-K92 HydrophobicContact CE2-CG 4.13Å; F60-K92 HydrophobicContact CZ-CG 3.91Å; P67-K92 WeakPolarHBondContact O-CE 3.46Å; P67-K92 PolarHBondContact O-NZ 2.58Å; T88-K92 HydrophobicContact CG2-CD 4Å; T88-K92 WeakPolarHBondContact O-CB 3.39Å; T88-K92 WeakPolarHBondContact O-CG 3.44Å; T88-K92 PolarHBondContact O-N 2.9Å; T88-K92 VanDerWaalsContact O-N 3.08Å; Q89-K92 PolarHBondContact O-N 2.84Å; N90-K92 PolarHBondContact O-N 2.85Å; K92-Q96 PolarHBondContact O-N 2.81Å
93	R	98	Very high	97.6	Very high	157 Å²	157	57.4 Å²	57.4	59%	0.592	26%	0.263	S	S	*	.	H	α-helix	trans	-65.5	-46.9	174.7	-170.8	-173.7	-60.1	140.9	6.5	110.8	Q89 N90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.31Å; Q89-R93 PolarHBondContact O-N 2.03Å; N90-R93 PolarHBondContact O-N 2.87Å; Y91-R93 PolarHBondContact O-N 3.25Å; R93-A95 PolarHBondContact O-N 3Å; R93-Q96 PolarHBondContact O-N 2.78Å; R93-T97 PolarHBondContact O-N 3.01Å; R93-T97 PolarHBondContact O-OG1 3.44Å
94	Q	97.8	Very high	97.6	Very high	27 Å²	27	61.7 Å²	61.7	13%	0.126	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-43.8	178.1	-176.1	66	43.1	0	0	112	Y33 F46 N90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.55Å; Y33-Q94 HydrophobicContact CE2-CB 4.31Å; Y33-Q94 HydrophobicContact CE2-CG 3.65Å; F46-Q94 HydrophobicContact CE2-CB 4.31Å; F46-Q94 HydrophobicContact CE2-CG 3.68Å; F46-Q94 HydrophobicContact CZ-CB 3.99Å; F46-Q94 HydrophobicContact CZ-CG 3.69Å; N90-Q94 PolarHBondContact O-N 3.27Å; Y91-Q94 PolarHBondContact O-N 2.79Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.19Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.38Å; Q94-T97 WeakPolarHBondContact O-CB 3.34Å; Q94-T97 PolarHBondContact O-N 2.41Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.45Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 PolarHBondContact NE2-OD2 2.86Å; Q94-D98 PolarHBondContact O-N 3.03Å
95	A	98.1	Very high	97.6	Very high	17 Å²	17	60 Å²	60	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-56.8	-39.2	176.2	0	0	0	0	0	112.8	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.74Å; F46-A95 HydrophobicContact CD1-CB 3.83Å; F46-A95 HydrophobicContact CD2-CB 4.1Å; F46-A95 HydrophobicContact CE1-CB 4.47Å; F46-A95 HydrophobicContact CG-CB 3.62Å; Y91-A95 WeakPolarHBondContact O-CB 3.33Å; Y91-A95 PolarHBondContact O-N 2.82Å; R93-A95 PolarHBondContact O-N 3Å; A95-R99 VanDerWaalsContact O-CB 3.27Å; A95-R99 WeakPolarHBondContact O-CB 3.47Å; A95-R99 PolarHBondContact O-N 3.39Å
96	Q	97.8	Very high	97.5	Very high	103 Å²	103	57.9 Å²	57.9	48%	0.481	26%	0.26	S	S	.	.	H	α-helix	trans	-71.1	-37.4	173.9	-64.9	-56.7	-41.1	0	0	112.6	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.81Å; R93-Q96 PolarHBondContact O-N 2.78Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.19Å; Q96-R99 VanDerWaalsContact OE1-NH1 3.1Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.94Å; Q96-V100 VanDerWaalsContact O-N 3.14Å
97	T	97.3	Very high	97.5	Very high	60 Å²	60	55.2 Å²	55.2	37%	0.368	26%	0.264	S	S	.	.	H	α-helix	trans	-59	-48.7	172.7	-66.4	0	0	0	0	111	R93 Q94 V100 N101	R93-T97 PolarHBondContact O-N 3.01Å; R93-T97 PolarHBondContact O-OG1 3.44Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.38Å; Q94-T97 WeakPolarHBondContact O-CB 3.34Å; Q94-T97 PolarHBondContact O-N 2.41Å; T97-V100 CarbonylContact O-C 3.56Å; T97-V100 WeakPolarHBondContact O-CA 3.49Å; T97-V100 WeakPolarHBondContact O-CB 3.5Å; T97-V100 PolarHBondContact O-N 2.96Å; T97-V100 VanDerWaalsContact O-N 3.08Å; T97-N101 WeakPolarHBondContact CG2-ND2 3.49Å; T97-N101 VanDerWaalsContact O-CG 3.26Å; T97-N101 PolarHBondContact O-N 2.9Å; T97-N101 PolarHBondContact O-ND2 3.19Å
98	D	97.6	Very high	97.6	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-71.7	-33.3	-178.2	-67.2	-31	0	0	0	112.8	A35 Q94 V100 N101 L102	A35-D98 HydrophobicContact CB-CB 3.61Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.45Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 PolarHBondContact NE2-OD2 2.86Å; Q94-D98 PolarHBondContact O-N 3.03Å; D98-V100 PolarHBondContact O-N 3.34Å; D98-N101 PolarHBondContact O-N 3.14Å; D98-N101 VanDerWaalsContact O-N 3.16Å; D98-L102 WeakPolarHBondContact O-CB 3.35Å; D98-L102 WeakPolarHBondContact O-CG 3.45Å; D98-L102 PolarHBondContact O-N 2.83Å
99	R	97.4	Very high	97.5	Very high	69 Å²	69	60 Å²	60	26%	0.26	28%	0.281	S	S	.	.	H	α-helix	trans	-57.8	-33.9	167.4	-179.9	-163	176.8	-160.2	5.3	113	E43 P44 A95 Q96 R103	E43-R99 VanDerWaalsContact CD-CZ 3.45Å; E43-R99 VanDerWaalsContact CD-NE 3.31Å; E43-R99 VanDerWaalsContact CD-NH2 3.26Å; E43-R99 IonicContact OE1-CZ 3.74Å; E43-R99 VanDerWaalsContact OE1-CZ 3.23Å; E43-R99 IonicContact OE1-NE 2.77Å; E43-R99 IonicContact OE1-NH2 2.69Å; E43-R99 PolarHBondContact OE1-NH2 2.92Å; E43-R99 WeakPolarHBondContact OE2-CD 3.37Å; E43-R99 IonicContact OE2-CZ 3.72Å; E43-R99 IonicContact OE2-NE 3.92Å; E43-R99 PolarHBondContact OE2-NE 2.88Å; E43-R99 IonicContact OE2-NH2 3.65Å; E43-R99 PolarHBondContact OE2-NH2 2.93Å; P44-R99 HydrophobicContact CG-CB 4.25Å; P44-R99 HydrophobicContact CG-CG 4.03Å; A95-R99 VanDerWaalsContact O-CB 3.27Å; A95-R99 WeakPolarHBondContact O-CB 3.47Å; A95-R99 PolarHBondContact O-N 3.39Å; Q96-R99 VanDerWaalsContact OE1-NH1 3.1Å; R99-R103 PolarHBondContact O-NE 2.96Å
100	V	97.3	Very high	97.5	Very high	58 Å²	58	61.4 Å²	61.4	35%	0.352	29%	0.292	S	S	.	.	H	α-helix	trans	-79.3	-39.6	174.3	170.6	0	0	0	0	110.8	Q96 T97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.94Å; Q96-V100 VanDerWaalsContact O-N 3.14Å; T97-V100 CarbonylContact O-C 3.56Å; T97-V100 WeakPolarHBondContact O-CA 3.49Å; T97-V100 WeakPolarHBondContact O-CB 3.5Å; T97-V100 PolarHBondContact O-N 2.96Å; T97-V100 VanDerWaalsContact O-N 3.08Å; D98-V100 PolarHBondContact O-N 3.34Å; V100-R103 PolarHBondContact O-N 2.84Å; V100-K104 HydrophobicContact CG1-CD 4.24Å; V100-K104 WeakPolarHBondContact O-CG 3.41Å; V100-K104 PolarHBondContact O-N 3.01Å; V100-K104 VanDerWaalsContact O-N 3.1Å
101	N	97.4	Very high	97.5	Very high	36 Å²	36	62 Å²	62	19%	0.193	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-41.7	178.8	-66.2	-22.3	0	0	0	112.1	T97 D98 R103 K104 L105 I119	T97-N101 WeakPolarHBondContact CG2-ND2 3.49Å; T97-N101 VanDerWaalsContact O-CG 3.26Å; T97-N101 PolarHBondContact O-N 2.9Å; T97-N101 PolarHBondContact O-ND2 3.19Å; D98-N101 PolarHBondContact O-N 3.14Å; D98-N101 VanDerWaalsContact O-N 3.16Å; N101-R103 PolarHBondContact O-N 3.39Å; N101-K104 WeakPolarHBondContact O-CA 3.5Å; N101-K104 WeakPolarHBondContact O-CB 3.38Å; N101-K104 PolarHBondContact O-N 2.94Å; N101-L105 WeakPolarHBondContact O-CG 3.29Å; N101-L105 PolarHBondContact O-N 3.24Å; N101-I119 HydrophobicContact CB-CD1 3.57Å
102	L	97.9	Very high	97.4	Very high	7 Å²	7	66 Å²	66	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-52.8	-42.6	174	-80.7	160.3	0	0	0	111.7	A35 P44 D98 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.05Å; P44-L102 HydrophobicContact CB-CD1 3.58Å; P44-L102 HydrophobicContact CG-CD1 3.73Å; D98-L102 WeakPolarHBondContact O-CB 3.35Å; D98-L102 WeakPolarHBondContact O-CG 3.45Å; D98-L102 PolarHBondContact O-N 2.83Å; L102-R106 VanDerWaalsContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.22Å; L102-R106 VanDerWaalsContact O-N 3.16Å; L102-H117 HydrophobicContact CD2-CB 4.1Å; L102-H117 WeakPolarHBondContact CD2-O 3.17Å; L102-I119 HydrophobicContact CB-CD1 4.43Å; L102-I119 HydrophobicContact CD2-CD1 4.11Å; L102-I119 HydrophobicContact CD2-CG1 3.82Å; L102-I119 HydrophobicContact CG-CD1 3.77Å; L102-I119 HydrophobicContact CG-CG1 4.01Å; L102-Y142 HydrophobicContact CD2-CE2 4.33Å
103	R	96.3	Very high	97.1	Very high	126 Å²	126	67.9 Å²	67.9	48%	0.475	33%	0.332	S	S	.	.	H	α-helix	trans	-69.9	-36.6	176.2	-74.7	179.4	-82.4	166	-9.8	113.1	R99 V100 N101 G107	R99-R103 PolarHBondContact O-NE 2.96Å; V100-R103 PolarHBondContact O-N 2.84Å; N101-R103 PolarHBondContact O-N 3.39Å; R103-G107 PolarHBondContact O-N 2.98Å
104	K	96.8	Very high	96.9	Very high	100 Å²	100	64.3 Å²	64.3	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-68.5	-49.1	176.1	-71.1	171	-178.5	163.9	0	111.9	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.24Å; V100-K104 WeakPolarHBondContact O-CG 3.41Å; V100-K104 PolarHBondContact O-N 3.01Å; V100-K104 VanDerWaalsContact O-N 3.1Å; N101-K104 WeakPolarHBondContact O-CA 3.5Å; N101-K104 WeakPolarHBondContact O-CB 3.38Å; N101-K104 PolarHBondContact O-N 2.94Å; K104-G107 CarbonylContact O-C 3.57Å; K104-G107 WeakPolarHBondContact O-CA 3.34Å; K104-G107 PolarHBondContact O-N 3.46Å; K104-G107 VanDerWaalsContact O-N 3.09Å; K104-Y108 WeakPolarHBondContact O-CD1 3.17Å; K104-Y108 PolarHBondContact O-N 2.81Å
105	L	97.8	Very high	96.7	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-62	-48.8	-178.4	-65.7	-179.9	0	0	0	110.8	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CG 3.29Å; N101-L105 PolarHBondContact O-N 3.24Å; L105-G107 PolarHBondContact O-N 2.92Å; L105-G107 VanDerWaalsContact O-N 3.13Å; L105-Y108 HydrophobicContact CD2-CD2 4.06Å; L105-Y108 HydrophobicContact CD2-CE2 4.4Å; L105-Y108 PolarHBondContact O-N 2.63Å; L105-Y109 HydrophobicContact CB-CD2 4.48Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.38Å; L105-Y109 PolarHBondContact O-N 3.33Å; L105-I119 HydrophobicContact CD1-CD1 3.56Å; L105-I119 HydrophobicContact CD1-CG1 3.73Å; L105-Y142 HydrophobicContact CB-CD1 4.25Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.88Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.38Å; L105-Y142 HydrophobicContact CD1-CD1 4.35Å; L105-Y142 HydrophobicContact CD1-CD2 3.42Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.42Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.71Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; L105-Y147 HydrophobicContact CD2-CD2 4.36Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.61Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.46Å
106	R	97	Very high	96.7	Very high	57 Å²	57	67.2 Å²	67.2	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-50.6	-39.5	172.2	-171.5	-166.7	66.3	173.9	8.6	112.3	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.22Å; L102-R106 VanDerWaalsContact O-N 3.16Å; R106-N110 PolarHBondContact O-N 2.77Å; R106-N110 VanDerWaalsContact O-N 3.17Å; R106-Q111 HydrophobicContact CG-CB 3.75Å; R106-Q111 PolarHBondContact O-N 3.47Å; R106-E113 IonicContact CZ-OE1 3.82Å; R106-E113 IonicContact NH1-OE1 3.56Å; R106-E113 PolarHBondContact NH1-OE1 3.14Å; R106-E113 IonicContact NH2-OE1 3.77Å; R106-E113 PolarHBondContact NH2-OE1 2.91Å; R106-Y142 PolarHBondContact N-OH 2.95Å
107	G	97.1	Very high	96.7	Very high	43 Å²	43	63 Å²	63	44%	0.443	34%	0.342	S	S	.	.	H	α-helix	trans	-68.1	-46	173.8	0	0	0	0	0	113.8	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.98Å; K104-G107 CarbonylContact O-C 3.57Å; K104-G107 WeakPolarHBondContact O-CA 3.34Å; K104-G107 PolarHBondContact O-N 3.46Å; K104-G107 VanDerWaalsContact O-N 3.09Å; L105-G107 PolarHBondContact O-N 2.92Å; L105-G107 VanDerWaalsContact O-N 3.13Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 3.15Å
108	Y	97.7	Very high	96.8	Very high	58 Å²	58	62.3 Å²	62.3	23%	0.227	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-35.9	177.7	-62	-15.8	0	0	0	112.5	K104 L105 A163 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.17Å; K104-Y108 PolarHBondContact O-N 2.81Å; L105-Y108 HydrophobicContact CD2-CD2 4.06Å; L105-Y108 HydrophobicContact CD2-CE2 4.4Å; L105-Y108 PolarHBondContact O-N 2.63Å; Y108-A163 HydrophobicContact CD2-CB 4.49Å; Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.21Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; Y108-K170 PolarHBondContact OH-NZ 3.12Å
109	Y	97.8	Very high	96.8	Very high	69 Å²	69	62.2 Å²	62.2	27%	0.271	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	2.4	178.1	-68.9	-69.7	0	0	0	114.2	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CB-CD2 4.48Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.38Å; L105-Y109 PolarHBondContact O-N 3.33Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.14Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.43Å; Y109-Y142 HydrophobicContact CD2-CE1 3.43Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.43Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.49Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.39Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.19Å; Y109-D161 VanDerWaalsContact OH-CG 3.31Å; Y109-D161 PolarHBondContact OH-OD1 3.25Å; Y109-D161 PolarHBondContact OH-OD2 3.09Å; Y109-A163 HydrophobicContact CD1-CB 4.23Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 4Å
110	N	96.9	Very high	96.9	Very high	151 Å²	151	62.6 Å²	62.6	81%	0.807	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	35.8	-177.5	-54.3	-75.1	0	0	0	113.8	R106 G107	R106-N110 PolarHBondContact O-N 2.77Å; R106-N110 VanDerWaalsContact O-N 3.17Å; G107-N110 PolarHBondContact O-N 3.15Å
111	Q	97.3	Very high	96.9	Very high	60 Å²	60	61.9 Å²	61.9	28%	0.28	33%	0.331	S	S	.	.			trans	-83.7	153.3	-176.9	-70.9	163.8	-42.8	0	0	112.4	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.75Å; R106-Q111 PolarHBondContact O-N 3.47Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Q111-H117 PolarHBondContact NE2-CE1 2.96Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.28Å; Q111-H117 PolarHBondContact OE1-CE1 2.92Å; Q111-Y142 PolarHBondContact OE1-OH 3.24Å; Q111-D143 PolarHBondContact NE2-OD2 3.33Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.15Å
112	S	95.5	Very high	97	Very high	84 Å²	84	61.3 Å²	61.3	59%	0.587	33%	0.327	S	S	*	.			trans	-68.4	145.9	-179.2	179.4	0	0	0	0	112.9	A114 G115	S112-A114 PolarHBondContact O-N 3.28Å; S112-A114 PolarHBondContact OG-N 3.35Å; S112-G115 PolarHBondContact O-N 3.44Å; S112-G115 VanDerWaalsContact O-N 3.14Å
113	E	92.9	Very high	96.8	Very high	135 Å²	135	62.1 Å²	62.1	63%	0.631	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.3	174.7	-56.7	-145.1	108.4	0	0	114.1	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.15Å; P39-E113 WeakPolarHBondContact CG-O 3.44Å; R106-E113 IonicContact CZ-OE1 3.82Å; R106-E113 IonicContact NH1-OE1 3.56Å; R106-E113 PolarHBondContact NH1-OE1 3.14Å; R106-E113 IonicContact NH2-OE1 3.77Å; R106-E113 PolarHBondContact NH2-OE1 2.91Å; E113-G115 VanDerWaalsContact C-N 3.28Å
114	A	93.6	Very high	96.8	Very high	83 Å²	83	56.1 Å²	56.1	69%	0.686	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.1	176.3	0	0	0	0	0	113.3	S112	S112-A114 PolarHBondContact O-N 3.28Å; S112-A114 PolarHBondContact OG-N 3.35Å
115	G	94.2	Very high	96.6	Very high	23 Å²	23	51.3 Å²	51.3	24%	0.237	29%	0.287	C	S	.	.			trans	-74.5	133.9	179.3	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.43Å; S112-G115 PolarHBondContact O-N 3.44Å; S112-G115 VanDerWaalsContact O-N 3.14Å; E113-G115 VanDerWaalsContact C-N 3.28Å; G115-H117 PolarHBondContact O-CD2 2.87Å
116	S	97.4	Very high	96.4	Very high	81 Å²	81	52.4 Å²	52.4	57%	0.566	29%	0.292	S	S	*	.			trans	-83.5	123.2	164.8	178.4	0	0	0	0	108.6	S37	S37-S116 PolarHBondContact O-OG 3.01Å
117	H	98.3	Very high	96.3	Very high	16 Å²	16	49.8 Å²	49.8	7%	0.074	28%	0.283	C	S	.	.			trans	-124.4	151.2	-178.7	-61.2	-76.8	0	0	0	111.6	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.79Å; S37-H117 WeakPolarHBondContact OG-CA 3.38Å; S37-H117 PolarHBondContact OG-N 3.19Å; S37-H117 PolarHBondContact OG-O 2.87Å; L102-H117 HydrophobicContact CD2-CB 4.1Å; L102-H117 WeakPolarHBondContact CD2-O 3.17Å; Q111-H117 PolarHBondContact NE2-CE1 2.96Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.28Å; Q111-H117 PolarHBondContact OE1-CE1 2.92Å; G115-H117 PolarHBondContact O-CD2 2.87Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.45Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.98Å; H117-Y142 PolarHBondContact ND1-OH 3.32Å; H117-D143 WeakPolarHBondContact CA-OD1 3.13Å; H117-D143 WeakPolarHBondContact CB-OD1 3.25Å; H117-D143 IonicContact CE1-OD2 3.16Å; H117-D143 IonicContact CG-OD1 3.23Å; H117-D143 IonicContact CG-OD2 2.94Å; H117-D143 IonicContact ND1-OD1 2.64Å; H117-D143 PolarHBondContact ND1-OD1 3Å; H117-D143 IonicContact ND1-OD2 2.65Å; H117-D143 PolarHBondContact ND1-OD2 3.02Å
118	I	98.4	Very high	95.9	Very high	45 Å²	45	48 Å²	48	23%	0.231	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.7	-177.1	-178.5	173.4	0	0	0	111.2	T34 A35 V36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CD1 3.75Å; T34-I118 HydrophobicContact CG2-CG1 4.11Å; A35-I118 WeakPolarHBondContact O-CA 2.95Å; V36-I118 HydrophobicContact CG2-CB 4.44Å; V36-I118 HydrophobicContact CG2-CD1 4.01Å; V36-I118 HydrophobicContact CG2-CG1 4.02Å; I118-Q120 HydrophobicContact CD1-CG 3.92Å; I118-Q120 HydrophobicContact CG1-CG 3.97Å; I118-Y142 WeakPolarHBondContact O-CA 3.45Å; I118-Y142 WeakPolarHBondContact O-CD2 3.21Å; I118-D143 PolarHBondContact N-OD1 2.9Å; I118-D143 PolarHBondContact O-N 2.95Å
119	I	98.4	Very high	95.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.5	163.3	-66.9	176.6	0	0	0	108	T34 A35 N101 L102 L105 L140 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 2.92Å; A35-I119 HydrophobicContact CB-CB 4.47Å; A35-I119 PolarHBondContact N-O 3.24Å; A35-I119 PolarHBondContact O-N 2.85Å; N101-I119 HydrophobicContact CB-CD1 3.57Å; L102-I119 HydrophobicContact CB-CD1 4.43Å; L102-I119 HydrophobicContact CD2-CD1 4.11Å; L102-I119 HydrophobicContact CD2-CG1 3.82Å; L102-I119 HydrophobicContact CG-CD1 3.77Å; L102-I119 HydrophobicContact CG-CG1 4.01Å; L105-I119 HydrophobicContact CD1-CD1 3.56Å; L105-I119 HydrophobicContact CD1-CG1 3.73Å; I119-L140 HydrophobicContact CG2-CD1 3.72Å; I119-L140 HydrophobicContact CG2-CD2 4.2Å; I119-L140 HydrophobicContact CG2-CG 3.98Å; I119-A141 WeakPolarHBondContact CA-O 3.25Å; I119-Y142 HydrophobicContact CG1-CD2 3.8Å; I119-Y142 HydrophobicContact CG1-CE2 4.23Å
120	Q	98.6	Very high	94.9	Very high	76 Å²	76	50.6 Å²	50.6	36%	0.355	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.6	169.8	-63.5	170.1	-91.2	0	0	109.1	Y33 T34 I118 L140 A141	Y33-Q120 CarbonylContact O-C 3.54Å; Y33-Q120 VanDerWaalsContact O-CA 3.3Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; T34-Q120 HydrophobicContact CG2-CG 4.35Å; I118-Q120 HydrophobicContact CD1-CG 3.92Å; I118-Q120 HydrophobicContact CG1-CG 3.97Å; Q120-L140 CarbonylContact O-C 3.55Å; Q120-L140 WeakPolarHBondContact O-CA 3.32Å; Q120-L140 WeakPolarHBondContact O-CD1 3.35Å; Q120-A141 HydrophobicContact CB-CB 4.4Å; Q120-A141 PolarHBondContact N-O 3.37Å; Q120-A141 PolarHBondContact O-N 2.94Å
121	R	98.1	Very high	94.3	Very high	44 Å²	44	44.3 Å²	44.3	17%	0.166	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133	172.1	-164	-179.1	-176.3	179.8	3.3	109.3	F32 Y33 D138 Q139 L140	F32-R121 WeakPolarHBondContact CA-O 3.34Å; Y33-R121 PolarHBondContact N-O 3.42Å; Y33-R121 PolarHBondContact O-N 3.42Å; R121-D138 IonicContact CZ-OD1 3.41Å; R121-D138 IonicContact CZ-OD2 3.64Å; R121-D138 IonicContact NE-OD1 3.61Å; R121-D138 PolarHBondContact NE-OD1 3.33Å; R121-D138 IonicContact NE-OD2 2.69Å; R121-D138 VanDerWaalsContact NH2-CG 3.29Å; R121-D138 IonicContact NH2-OD1 3.22Å; R121-D138 PolarHBondContact NH2-OD1 3.26Å; R121-D138 IonicContact NH2-OD2 3.46Å; R121-D138 PolarHBondContact NH2-OD2 2.89Å; R121-Q139 WeakPolarHBondContact CA-O 3.38Å; R121-L140 HydrophobicContact CB-CD1 3.64Å; R121-L140 HydrophobicContact CG-CD1 3.76Å
122	M	97.9	Very high	94	Very high	23 Å²	23	49.5 Å²	49.5	11%	0.113	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.7	163.2	-172.6	-75.5	-70.4	0	0	107.7	R30 Y31 F32 H137 D138 Q139	R30-M122 HydrophobicContact CB-SD 4.4Å; R30-M122 HydrophobicContact CG-SD 4.31Å; Y31-M122 WeakPolarHBondContact O-CA 2.99Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.46Å; F32-M122 HydrophobicContact CZ-CG 3.99Å; M122-H137 HydrophobicContact CE-CB 3.74Å; M122-H137 HydrophobicContact SD-CB 4.09Å; M122-D138 WeakPolarHBondContact O-CA 3.1Å; M122-Q139 HydrophobicContact CB-CG 3.99Å; M122-Q139 HydrophobicContact CE-CG 4.08Å; M122-Q139 PolarHBondContact N-O 3.17Å; M122-Q139 PolarHBondContact O-N 3.17Å
123	Y	95.2	Very high	93.7	Very high	24 Å²	24	47.8 Å²	47.8	9%	0.094	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.8	169	73	-83.2	0	0	0	110.2	Y31 Y33 H137 Y183 Y188	Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 HydrophobicContact CD2-CE1 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CD2-CE2 3.76Å; Y31-Y123 AromaticContact CD2-CZ 3.68Å; Y31-Y123 HydrophobicContact CG-CE1 4.16Å; Y31-Y123 HydrophobicContact CG-CE2 4.28Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.35Å; Y31-Y123 PolarHBondContact O-N 3.39Å; Y31-Y123 VanDerWaalsContact O-N 3.14Å; Y33-Y123 HydrophobicContact CD2-CE1 4.04Å; Y33-Y123 HydrophobicContact CE1-CE1 4.15Å; Y33-Y123 HydrophobicContact CE2-CD1 4.44Å; Y33-Y123 AromaticContact CE2-CE1 3.48Å; Y33-Y123 HydrophobicContact CE2-CE1 3.48Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.48Å; Y33-Y123 AromaticContact CZ-CE1 3.58Å; Y33-Y123 AromaticContact CZ-CZ 3.99Å; Y33-Y123 PolarHBondContact OH-OH 2.99Å; Y123-H137 CarbonylContact C-O 3.55Å; Y123-H137 WeakPolarHBondContact CA-O 3.49Å; Y123-H137 WeakPolarHBondContact CB-O 3.38Å; Y123-Y183 HydrophobicContact CE2-CE1 4.2Å; Y123-Y188 HydrophobicContact CD2-CE2 4.17Å; Y123-Y188 AromaticContact CE2-CE2 3.81Å; Y123-Y188 HydrophobicContact CE2-CE2 3.81Å
124	G	94.9	Very high	93.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-168.8	-175.3	0	0	0	0	0	114.8	M29 H137 L184 Y188	M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; G124-H137 PolarHBondContact N-O 2.85Å; G124-H137 PolarHBondContact O-N 3.08Å; G124-L184 WeakPolarHBondContact O-CD2 3.49Å; G124-Y188 WeakPolarHBondContact CA-OH 3.48Å
125	C	93.6	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159.6	173.4	84.6	0	0	0	0	112.4	S28 M29 L133 R135 Y188	S28-C125 VanDerWaalsContact CA-O 3.24Å; S28-C125 WeakPolarHBondContact CA-O 3.4Å; S28-C125 WeakPolarHBondContact CB-O 3.2Å; M29-C125 PolarHBondContact N-O 2.96Å; M29-C125 PolarHBondContact O-N 3.16Å; C125-L133 HydrophobicContact CB-CD1 3.49Å; C125-L133 VanDerWaalsContact CB-CD1 3.49Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 VanDerWaalsContact CA-O 3.23Å; C125-R135 WeakPolarHBondContact CA-O 3.37Å; C125-R135 WeakPolarHBondContact CB-O 3.31Å; C125-Y188 HydrophobicContact CB-CD1 3.79Å; C125-Y188 HydrophobicContact CB-CE1 3.95Å; C125-Y188 WeakPolarHBondContact SG-CD1 3.48Å
126	D	93.9	Very high	93.6	Very high	27 Å²	27	47 Å²	47	14%	0.144	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132	168.9	-45	-42.2	0	0	0	108.1	S28 R30 L134 R135 H137	S28-D126 WeakPolarHBondContact CB-OD1 3.25Å; R30-D126 IonicContact CZ-OD1 2.7Å; R30-D126 IonicContact NE-OD1 3.97Å; R30-D126 IonicContact NH2-OD1 3.78Å; R30-D126 PolarHBondContact NH2-OD1 2.86Å; D126-L134 PolarHBondContact O-N 2.83Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.11Å; D126-R135 PolarHBondContact O-N 3.4Å; D126-H137 IonicContact OD1-NE2 3.95Å; D126-H137 PolarHBondContact OD1-NE2 2.63Å; D126-H137 IonicContact OD2-CD2 3.97Å; D126-H137 IonicContact OD2-CE1 3.63Å; D126-H137 IonicContact OD2-NE2 3.95Å; D126-H137 PolarHBondContact OD2-NE2 3.11Å
127	L	93.6	Very high	93.5	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.5	174.8	-57.5	-175.1	0	0	0	110.5	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.37Å; S26-L127 WeakPolarHBondContact CB-O 3.38Å; H27-L127 PolarHBondContact N-O 2.78Å; H27-L127 VanDerWaalsContact N-O 3.08Å; H27-L127 PolarHBondContact O-N 2.68Å; L127-R132 CarbonylContact C-O 3.59Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.41Å; L127-V189 HydrophobicContact CD1-CG1 4.18Å; L127-V189 HydrophobicContact CD2-CB 4.39Å; L127-V189 HydrophobicContact CD2-CG1 3.84Å; L127-V189 HydrophobicContact CD2-CG2 4.01Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.51Å; L127-L192 HydrophobicContact CD1-CG 3.71Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.35Å; L127-R193 HydrophobicContact CD1-CG 4.29Å
128	G	90.4	Very high	93.4	Very high	4 Å²	4	43.9 Å²	43.9	4%	0.041	22%	0.216	C	C	.	.			trans	-77.5	175.6	171.7	0	0	0	0	0	112.7	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 3.07Å; G128-G131 WeakPolarHBondContact O-CA 3.3Å; G128-G131 PolarHBondContact O-N 2.95Å; G128-R132 PolarHBondContact N-O 2.94Å; G128-L134 VanDerWaalsContact CA-CD1 3.48Å
129	P	86.9	Confident	93.4	Very high	89 Å²	89	45.7 Å²	45.7	58%	0.578	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.2	178.2	-18.4	28.7	0	0	0	113.6	A24 G131	A24-P129 HydrophobicContact CB-CB 4.25Å; A24-P129 HydrophobicContact CB-CG 3.36Å; P129-G131 PolarHBondContact O-N 3.21Å
130	D	86.4	Confident	93.3	Very high	93 Å²	93	46.4 Å²	46.4	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	5.9	173.5	74.6	-17.2	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.07Å; D130-R132 PolarHBondContact O-N 2.84Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.36Å; D130-R132 PolarHBondContact OD1-N 3.16Å; D130-R132 WeakPolarHBondContact OD2-CD 3.11Å; D130-R132 VanDerWaalsContact OD2-CG 3.29Å; D130-R132 WeakPolarHBondContact OD2-CG 3.43Å; D130-R132 IonicContact OD2-CZ 3.04Å; D130-R132 IonicContact OD2-NE 3.1Å; D130-R132 PolarHBondContact OD2-NE 3.23Å; D130-R132 IonicContact OD2-NH1 3.43Å
131	G	85.4	Confident	93.3	Very high	19 Å²	19	43.7 Å²	43.7	20%	0.196	22%	0.217	C	C	.	.	S	Bend	trans	69.5	12.1	-178.7	0	0	0	0	0	114.4	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.3Å; G128-G131 PolarHBondContact O-N 2.95Å; P129-G131 PolarHBondContact O-N 3.21Å; G131-R193 PolarHBondContact O-NE 2.99Å; G131-R193 VanDerWaalsContact O-NE 3.1Å; G131-R193 PolarHBondContact O-NH2 3.32Å
132	R	89.5	Confident	93.4	Very high	170 Å²	170	42 Å²	42	64%	0.642	21%	0.211	S	C	*	.			trans	-89.8	154	178	-61.5	-174.6	-169.9	166.7	1	111.7	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.59Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.41Å; G128-R132 PolarHBondContact N-O 2.94Å; D130-R132 PolarHBondContact O-N 2.84Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.36Å; D130-R132 PolarHBondContact OD1-N 3.16Å; D130-R132 WeakPolarHBondContact OD2-CD 3.11Å; D130-R132 VanDerWaalsContact OD2-CG 3.29Å; D130-R132 WeakPolarHBondContact OD2-CG 3.43Å; D130-R132 IonicContact OD2-CZ 3.04Å; D130-R132 IonicContact OD2-NE 3.1Å; D130-R132 PolarHBondContact OD2-NE 3.23Å; D130-R132 IonicContact OD2-NH1 3.43Å; R132-L134 PolarHBondContact O-N 2.88Å
133	L	90.9	Very high	93.4	Very high	48 Å²	48	43.6 Å²	43.6	25%	0.251	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	118.2	174.3	-175.8	71	0	0	0	110.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.49Å; C125-L133 VanDerWaalsContact CB-CD1 3.49Å; L133-R135 VanDerWaalsContact CD1-O 3.29Å; L133-R135 WeakPolarHBondContact CD1-O 3.49Å; L133-L154 HydrophobicContact CD2-CD1 4.06Å; L133-E185 HydrophobicContact CD2-CB 4.45Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L133-V189 HydrophobicContact CB-CG2 4.37Å; L133-V189 HydrophobicContact CD1-CG2 4.49Å
134	L	91.7	Very high	93.5	Very high	119 Å²	119	45.2 Å²	45.2	62%	0.623	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	-44.9	166.9	-69.3	176	0	0	0	110.6	D126 G128 R132	D126-L134 PolarHBondContact O-N 2.83Å; G128-L134 VanDerWaalsContact CA-CD1 3.48Å; R132-L134 PolarHBondContact O-N 2.88Å
135	R	92	Very high	93.6	Very high	102 Å²	102	52.8 Å²	52.8	39%	0.385	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	139.1	-173.7	-173.9	175.4	-178.1	122.1	10.9	111.1	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.55Å; C125-R135 VanDerWaalsContact CA-O 3.23Å; C125-R135 WeakPolarHBondContact CA-O 3.37Å; C125-R135 WeakPolarHBondContact CB-O 3.31Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.11Å; D126-R135 PolarHBondContact O-N 3.4Å; L133-R135 VanDerWaalsContact CD1-O 3.29Å; L133-R135 WeakPolarHBondContact CD1-O 3.49Å; R135-H137 WeakPolarHBondContact CD-CE1 3.4Å; R135-H137 PolarHBondContact NE-CE1 2.66Å; R135-E152 IonicContact CZ-OE1 3.87Å; R135-E152 VanDerWaalsContact NH1-CD 3.31Å; R135-E152 IonicContact NH1-OE1 3.83Å; R135-E152 PolarHBondContact NH1-OE1 2.74Å; R135-E152 IonicContact NH2-OE1 2.68Å; R135-E152 PolarHBondContact NH2-OE1 2.77Å
136	G	94	Very high	93.9	Very high	4 Å²	4	58.7 Å²	58.7	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	151	166.7	0	0	0	0	0	110.5
137	H	94.6	Very high	94.1	Very high	26 Å²	26	57.5 Å²	57.5	12%	0.12	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.3	-178.7	-53.8	-96.3	0	0	0	110.3	M122 Y123 G124 D126 R135	M122-H137 HydrophobicContact CE-CB 3.74Å; M122-H137 HydrophobicContact SD-CB 4.09Å; Y123-H137 CarbonylContact C-O 3.55Å; Y123-H137 WeakPolarHBondContact CA-O 3.49Å; Y123-H137 WeakPolarHBondContact CB-O 3.38Å; G124-H137 PolarHBondContact N-O 2.85Å; G124-H137 PolarHBondContact O-N 3.08Å; D126-H137 IonicContact OD1-NE2 3.95Å; D126-H137 PolarHBondContact OD1-NE2 2.63Å; D126-H137 IonicContact OD2-CD2 3.97Å; D126-H137 IonicContact OD2-CE1 3.63Å; D126-H137 IonicContact OD2-NE2 3.95Å; D126-H137 PolarHBondContact OD2-NE2 3.11Å; R135-H137 WeakPolarHBondContact CD-CE1 3.4Å; R135-H137 PolarHBondContact NE-CE1 2.66Å
138	D	96.4	Very high	94.3	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.027	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	111.2	161.1	-175.5	21	0	0	0	108.7	R121 M122 L150 L180	R121-D138 IonicContact CZ-OD1 3.41Å; R121-D138 IonicContact CZ-OD2 3.64Å; R121-D138 IonicContact NE-OD1 3.61Å; R121-D138 PolarHBondContact NE-OD1 3.33Å; R121-D138 IonicContact NE-OD2 2.69Å; R121-D138 VanDerWaalsContact NH2-CG 3.29Å; R121-D138 IonicContact NH2-OD1 3.22Å; R121-D138 PolarHBondContact NH2-OD1 3.26Å; R121-D138 IonicContact NH2-OD2 3.46Å; R121-D138 PolarHBondContact NH2-OD2 2.89Å; M122-D138 WeakPolarHBondContact O-CA 3.1Å; D138-L150 HydrophobicContact CB-CB 4.1Å; D138-L150 HydrophobicContact CB-CD2 4.27Å; D138-L150 WeakPolarHBondContact O-CB 3.46Å; D138-L150 PolarHBondContact O-N 3.48Å; D138-L180 VanDerWaalsContact OD2-CD1 3.29Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.36Å
139	Q	97.8	Very high	94.7	Very high	82 Å²	82	58.9 Å²	58.9	38%	0.383	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.5	-176.6	66.8	-169.6	43.9	0	0	111.3	R121 M122 I148 A149	R121-Q139 WeakPolarHBondContact CA-O 3.38Å; M122-Q139 HydrophobicContact CB-CG 3.99Å; M122-Q139 HydrophobicContact CE-CG 4.08Å; M122-Q139 PolarHBondContact N-O 3.17Å; M122-Q139 PolarHBondContact O-N 3.17Å; Q139-I148 WeakPolarHBondContact CA-O 3.47Å; Q139-A149 HydrophobicContact CB-CB 3.96Å
140	L	98.2	Very high	95.2	Very high	17 Å²	17	55.3 Å²	55.3	9%	0.089	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.1	178.6	-153.3	78.2	0	0	0	109.8	I119 Q120 R121 Y147 I148	I119-L140 HydrophobicContact CG2-CD1 3.72Å; I119-L140 HydrophobicContact CG2-CD2 4.2Å; I119-L140 HydrophobicContact CG2-CG 3.98Å; Q120-L140 CarbonylContact O-C 3.55Å; Q120-L140 WeakPolarHBondContact O-CA 3.32Å; Q120-L140 WeakPolarHBondContact O-CD1 3.35Å; R121-L140 HydrophobicContact CB-CD1 3.64Å; R121-L140 HydrophobicContact CG-CD1 3.76Å; L140-Y147 HydrophobicContact CB-CD1 4.49Å; L140-Y147 HydrophobicContact CD2-CD1 3.93Å; L140-Y147 HydrophobicContact CD2-CE1 4.46Å; L140-Y147 WeakPolarHBondContact O-CA 3.34Å; L140-Y147 WeakPolarHBondContact O-CB 3.38Å; L140-Y147 PolarHBondContact O-N 3.38Å; L140-I148 HydrophobicContact CB-CG2 4.03Å; L140-I148 PolarHBondContact N-O 3.07Å; L140-I148 PolarHBondContact O-N 3.03Å
141	A	98.7	Very high	95.7	Very high	18 Å²	18	53 Å²	53	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149	170.3	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.25Å; Q120-A141 HydrophobicContact CB-CB 4.4Å; Q120-A141 PolarHBondContact N-O 3.37Å; Q120-A141 PolarHBondContact O-N 2.94Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.45Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.39Å
142	Y	98.7	Very high	96.1	Very high	10 Å²	10	58.7 Å²	58.7	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.6	177.3	-173.9	-122.4	0	0	0	110.5	L102 L105 R106 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.33Å; L105-Y142 HydrophobicContact CB-CD1 4.25Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.88Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.38Å; L105-Y142 HydrophobicContact CD1-CD1 4.35Å; L105-Y142 HydrophobicContact CD1-CD2 3.42Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.42Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.71Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; R106-Y142 PolarHBondContact N-OH 2.95Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.43Å; Y109-Y142 HydrophobicContact CD2-CE1 3.43Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.43Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Q111-Y142 PolarHBondContact OE1-OH 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.45Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.98Å; H117-Y142 PolarHBondContact ND1-OH 3.32Å; I118-Y142 WeakPolarHBondContact O-CA 3.45Å; I118-Y142 WeakPolarHBondContact O-CD2 3.21Å; I119-Y142 HydrophobicContact CG1-CD2 3.8Å; I119-Y142 HydrophobicContact CG1-CE2 4.23Å; Y142-G144 PolarHBondContact O-N 3.43Å; Y142-G144 VanDerWaalsContact O-N 3.14Å; Y142-K145 PolarHBondContact N-O 2.65Å; Y142-K145 PolarHBondContact O-N 3.06Å
143	D	98.2	Very high	96.4	Very high	56 Å²	56	54.2 Å²	54.2	30%	0.299	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	39.3	-176.4	-65.5	-18.3	0	0	0	113.4	Q111 H117 I118	Q111-D143 PolarHBondContact NE2-OD2 3.33Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.15Å; H117-D143 WeakPolarHBondContact CA-OD1 3.13Å; H117-D143 WeakPolarHBondContact CB-OD1 3.25Å; H117-D143 IonicContact CE1-OD2 3.16Å; H117-D143 IonicContact CG-OD1 3.23Å; H117-D143 IonicContact CG-OD2 2.94Å; H117-D143 IonicContact ND1-OD1 2.64Å; H117-D143 PolarHBondContact ND1-OD1 3Å; H117-D143 IonicContact ND1-OD2 2.65Å; H117-D143 PolarHBondContact ND1-OD2 3.02Å; I118-D143 PolarHBondContact N-OD1 2.9Å; I118-D143 PolarHBondContact O-N 2.95Å
144	G	97	Very high	96.5	Very high	58 Å²	58	52.3 Å²	52.3	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	11.4	178.6	0	0	0	0	0	115.6	Y142	Y142-G144 PolarHBondContact O-N 3.43Å; Y142-G144 VanDerWaalsContact O-N 3.14Å
145	K	98.4	Very high	96.7	Very high	159 Å²	159	54.6 Å²	54.6	69%	0.691	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.9	178.1	-60.8	178.8	-176.8	177.7	0	111	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.45Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.39Å; Y142-K145 PolarHBondContact N-O 2.65Å; Y142-K145 PolarHBondContact O-N 3.06Å; K145-Y147 PolarHBondContact O-N 2.91Å
146	D	98.6	Very high	96.9	Very high	124 Å²	124	51.7 Å²	51.7	66%	0.663	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	136.8	173.5	-61.6	-41.5	0	0	0	110.9	A160	D146-A160 WeakPolarHBondContact O-CB 3.3Å
147	Y	98.6	Very high	97.1	Very high	2 Å²	2	52 Å²	52	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-60.7	179.4	179.2	-105.7	0	0	0	110.4	L105 Y109 L140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.36Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.61Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.46Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.49Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.39Å; L140-Y147 HydrophobicContact CB-CD1 4.49Å; L140-Y147 HydrophobicContact CD2-CD1 3.93Å; L140-Y147 HydrophobicContact CD2-CE1 4.46Å; L140-Y147 WeakPolarHBondContact O-CA 3.34Å; L140-Y147 WeakPolarHBondContact O-CB 3.38Å; L140-Y147 PolarHBondContact O-N 3.38Å; K145-Y147 PolarHBondContact O-N 2.91Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 2.91Å; Y147-A163 HydrophobicContact CE2-CB 4.4Å; Y147-A163 PolarHBondContact OH-O 3.44Å; Y147-A164 HydrophobicContact CD2-CB 3.89Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.75Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 VanDerWaalsContact CZ-CA 3.49Å; Y147-A164 WeakPolarHBondContact O-CB 3.35Å; Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.34Å
148	I	98.5	Very high	97.3	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	141.2	177.6	-161.2	172.9	0	0	0	110.6	Q139 L140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.47Å; L140-I148 HydrophobicContact CB-CG2 4.03Å; L140-I148 PolarHBondContact N-O 3.07Å; L140-I148 PolarHBondContact O-N 3.03Å; I148-W157 HydrophobicContact CD1-CB 4.21Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.21Å; I148-W157 HydrophobicContact CD1-CG 4.41Å; I148-W157 HydrophobicContact CG1-CB 4.32Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; I148-T158 WeakPolarHBondContact CA-O 3.46Å; I148-T158 WeakPolarHBondContact CG1-O 3.42Å; I148-T167 HydrophobicContact CD1-CG2 4.15Å; I148-Q168 HydrophobicContact CD1-CB 3.93Å; I148-W171 HydrophobicContact CD1-CE3 3.96Å; I148-W171 HydrophobicContact CD1-CZ3 4.27Å; I148-W171 HydrophobicContact CG2-CE3 4.36Å; I148-W171 HydrophobicContact CG2-CH2 4.05Å; I148-W171 HydrophobicContact CG2-CZ3 3.63Å
149	A	98.4	Very high	97.4	Very high	31 Å²	31	55.4 Å²	55.4	26%	0.256	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.5	177.4	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.96Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; A149-T158 PolarHBondContact N-O 2.65Å; A149-T158 PolarHBondContact O-N 3.44Å
150	L	97.9	Very high	97.5	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.6	168.5	-175.4	65.8	0	0	0	108.6	D138 L154 W157 A177 L184	D138-L150 HydrophobicContact CB-CB 4.1Å; D138-L150 HydrophobicContact CB-CD2 4.27Å; D138-L150 WeakPolarHBondContact O-CB 3.46Å; D138-L150 PolarHBondContact O-N 3.48Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.11Å; L150-W157 HydrophobicContact CB-CZ3 3.64Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CZ3 4.48Å; L150-A177 HydrophobicContact CD1-CB 4.01Å; L150-L184 HydrophobicContact CD2-CD1 4.24Å
151	N	97.2	Very high	97.5	Very high	44 Å²	44	56.2 Å²	56.2	24%	0.235	31%	0.313	C	S	.	.			trans	-75.8	163	179.9	-66.3	-25.9	0	0	0	111.5	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.41Å; N151-L154 PolarHBondContact O-N 2.91Å; N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 PolarHBondContact N-O 2.86Å; N151-S156 PolarHBondContact ND2-OG 3.16Å; N151-T158 PolarHBondContact ND2-OG1 2.94Å; N151-T158 WeakPolarHBondContact OD1-CB 3.31Å; N151-T158 PolarHBondContact OD1-N 3.12Å; N151-T158 PolarHBondContact OD1-OG1 2.95Å
152	E	93.9	Very high	97.4	Very high	139 Å²	139	60.7 Å²	60.7	65%	0.65	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.8	-179.3	-64.9	176.7	-172.6	0	0	113.8	R135 L154	R135-E152 IonicContact CZ-OE1 3.87Å; R135-E152 VanDerWaalsContact NH1-CD 3.31Å; R135-E152 IonicContact NH1-OE1 3.83Å; R135-E152 PolarHBondContact NH1-OE1 2.74Å; R135-E152 IonicContact NH2-OE1 2.68Å; R135-E152 PolarHBondContact NH2-OE1 2.77Å; E152-L154 PolarHBondContact O-N 2.81Å
153	D	94.4	Very high	97.4	Very high	75 Å²	75	60.4 Å²	60.4	40%	0.401	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.5	173.5	71.5	-0.5	0	0	0	114.1	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.41Å; D153-R155 WeakPolarHBondContact O-CD 3.45Å; D153-R155 VanDerWaalsContact O-CG 3.29Å; D153-R155 WeakPolarHBondContact O-CG 3.3Å; D153-R155 PolarHBondContact O-N 3.44Å; D153-R155 PolarHBondContact OD1-N 2.88Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.9Å; D153-S156 PolarHBondContact OD1-OG 3.48Å; D153-S156 VanDerWaalsContact OD1-OG 3.13Å; D153-S156 WeakPolarHBondContact OD2-CB 3.43Å; D153-S156 PolarHBondContact OD2-OG 3.4Å
154	L	94.4	Very high	97.4	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.047	32%	0.324	C	S	.	.	S	Bend	trans	51.9	30.2	-173.8	-53.9	-179.5	0	0	0	113.5	L133 L150 N151 E152 R181 L184	L133-L154 HydrophobicContact CD2-CD1 4.06Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.25Å; N151-L154 PolarHBondContact O-N 2.91Å; E152-L154 PolarHBondContact O-N 2.81Å; L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.8Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-R181 WeakPolarHBondContact O-CD 3.5Å; L154-L184 HydrophobicContact CD2-CD1 4.45Å
155	R	95.4	Very high	97.5	Very high	167 Å²	167	58.4 Å²	58.4	63%	0.63	31%	0.312	S	S	*	.	S	Bend	trans	-137.6	-32.3	-173.2	-70.6	162.5	-177	-95.9	8.8	113.2	D153	D153-R155 WeakPolarHBondContact O-CD 3.45Å; D153-R155 VanDerWaalsContact O-CG 3.29Å; D153-R155 WeakPolarHBondContact O-CG 3.3Å; D153-R155 PolarHBondContact O-N 3.44Å; D153-R155 PolarHBondContact OD1-N 2.88Å
156	S	96.6	Very high	97.4	Very high	40 Å²	40	53.6 Å²	53.6	28%	0.28	29%	0.293	S	S	.	.			trans	-115.7	163.6	-177.7	63.6	0	0	0	0	112.1	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 PolarHBondContact N-O 2.86Å; N151-S156 PolarHBondContact ND2-OG 3.16Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.9Å; D153-S156 PolarHBondContact OD1-OG 3.48Å; D153-S156 VanDerWaalsContact OD1-OG 3.13Å; D153-S156 WeakPolarHBondContact OD2-CB 3.43Å; D153-S156 PolarHBondContact OD2-OG 3.4Å
157	W	98.3	Very high	97.4	Very high	11 Å²	11	48.5 Å²	48.5	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.1	-175.8	-62.6	96.8	0	0	0	110.9	I148 A149 L150 Q168 W171 E176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.21Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.21Å; I148-W157 HydrophobicContact CD1-CG 4.41Å; I148-W157 HydrophobicContact CG1-CB 4.32Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.11Å; L150-W157 HydrophobicContact CB-CZ3 3.64Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CZ3 4.48Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 2.92Å; W157-W171 AromaticContact CD2-CE3 3.98Å; W157-W171 HydrophobicContact CD2-CE3 3.98Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 AromaticContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CH2-CZ3 3.46Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.4Å; W157-W171 HydrophobicContact CZ3-CZ3 3.4Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.4Å; W157-E176 HydrophobicContact CZ2-CB 4.29Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; W157-L180 HydrophobicContact CH2-CD1 3.45Å; W157-L180 VanDerWaalsContact CH2-CD1 3.45Å; W157-L180 HydrophobicContact CZ2-CD1 3.75Å
158	T	98.5	Very high	97.4	Very high	79 Å²	79	50.2 Å²	50.2	49%	0.485	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.8	165.5	-66.8	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.46Å; I148-T158 WeakPolarHBondContact CG1-O 3.42Å; A149-T158 PolarHBondContact N-O 2.65Å; A149-T158 PolarHBondContact O-N 3.44Å; N151-T158 PolarHBondContact ND2-OG1 2.94Å; N151-T158 WeakPolarHBondContact OD1-CB 3.31Å; N151-T158 PolarHBondContact OD1-N 3.12Å; N151-T158 PolarHBondContact OD1-OG1 2.95Å
159	A	98.6	Very high	97.4	Very high	24 Å²	24	57.1 Å²	57.1	20%	0.198	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.2	176.7	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 4.1Å; A159-Q168 HydrophobicContact CB-CB 4.33Å; A159-Q168 VanDerWaalsContact CB-OE1 3.32Å
160	A	98.4	Very high	97.3	Very high	63 Å²	63	61 Å²	61	52%	0.521	31%	0.311	S	S	.	.	S	Bend	trans	-71.9	-32	-175.1	0	0	0	0	0	113.8	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.3Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 2.91Å
161	D	98.2	Very high	97.3	Very high	53 Å²	53	63.1 Å²	63.1	28%	0.283	32%	0.318	S	S	.	.	S	Bend	trans	-150	-174.1	-177.7	70.4	26.3	0	0	0	113.9	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.19Å; Y109-D161 VanDerWaalsContact OH-CG 3.31Å; Y109-D161 PolarHBondContact OH-OD1 3.25Å; Y109-D161 PolarHBondContact OH-OD2 3.09Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.85Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.92Å; D161-A164 WeakPolarHBondContact O-CB 3.45Å; D161-A164 PolarHBondContact O-N 3.33Å; D161-A164 PolarHBondContact OD1-N 3.32Å; D161-Q165 WeakPolarHBondContact O-CG 3.38Å; D161-Q165 PolarHBondContact O-N 2.72Å
162	T	98	Very high	97.3	Very high	111 Å²	111	65.5 Å²	65.5	68%	0.681	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.8	-179.8	51.4	0	0	0	0	114.4
163	A	97.8	Very high	97.5	Very high	5 Å²	5	63.1 Å²	63.1	4%	0.041	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-38.3	173.3	0	0	0	0	0	110.7	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CD1-CB 4.23Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 4Å; Y147-A163 HydrophobicContact CE2-CB 4.4Å; Y147-A163 PolarHBondContact OH-O 3.44Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.85Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.92Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; A163-Q165 PolarHBondContact O-N 3.2Å; A163-I166 WeakPolarHBondContact O-CB 3.42Å; A163-I166 PolarHBondContact O-N 2.85Å; A163-I166 VanDerWaalsContact O-N 3.14Å
164	A	98.3	Very high	97.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-38.2	171.6	0	0	0	0	0	112.7	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.89Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.75Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 VanDerWaalsContact CZ-CA 3.49Å; Y147-A164 WeakPolarHBondContact O-CB 3.35Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 WeakPolarHBondContact O-CB 3.45Å; D161-A164 PolarHBondContact O-N 3.33Å; D161-A164 PolarHBondContact OD1-N 3.32Å; A164-I166 PolarHBondContact O-N 2.89Å; A164-I166 VanDerWaalsContact O-N 3.15Å; A164-T167 WeakPolarHBondContact O-CA 3.48Å; A164-T167 WeakPolarHBondContact O-CB 3.4Å; A164-T167 PolarHBondContact O-N 2.86Å; A164-Q168 PolarHBondContact O-N 2.85Å
165	Q	98.5	Very high	97.8	Very high	72 Å²	72	68.7 Å²	68.7	34%	0.336	36%	0.357	S	S	.	.	H	α-helix	trans	-58.2	-26	173.2	-73.2	174.4	18.6	0	0	113.6	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.1Å; D161-Q165 WeakPolarHBondContact O-CG 3.38Å; D161-Q165 PolarHBondContact O-N 2.72Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; A163-Q165 PolarHBondContact O-N 3.2Å; Q165-R169 VanDerWaalsContact O-CG 3.28Å; Q165-R169 WeakPolarHBondContact O-CG 3.32Å; Q165-R169 PolarHBondContact O-N 3.32Å; Q165-R169 VanDerWaalsContact O-N 3.16Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.11Å
166	I	98	Very high	97.7	Very high	57 Å²	57	63.8 Å²	63.8	29%	0.292	34%	0.341	S	S	.	.	H	α-helix	trans	-69.8	-37.3	174.1	-56.1	171.5	0	0	0	110.5	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.21Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; A163-I166 WeakPolarHBondContact O-CB 3.42Å; A163-I166 PolarHBondContact O-N 2.85Å; A163-I166 VanDerWaalsContact O-N 3.14Å; A164-I166 PolarHBondContact O-N 2.89Å; A164-I166 VanDerWaalsContact O-N 3.15Å; I166-K170 WeakPolarHBondContact O-CD 3.44Å; I166-K170 VanDerWaalsContact O-CG 3.31Å; I166-K170 WeakPolarHBondContact O-CG 3.18Å
167	T	97.7	Very high	97.7	Very high	17 Å²	17	62.2 Å²	62.2	10%	0.104	33%	0.331	C	S	.	.	H	α-helix	trans	-72.6	-46.1	174.9	-66.7	0	0	0	0	110.8	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.34Å; I148-T167 HydrophobicContact CD1-CG2 4.15Å; A164-T167 WeakPolarHBondContact O-CA 3.48Å; A164-T167 WeakPolarHBondContact O-CB 3.4Å; A164-T167 PolarHBondContact O-N 2.86Å; T167-R169 PolarHBondContact O-N 3.25Å; T167-K170 WeakPolarHBondContact O-CB 3.28Å; T167-K170 PolarHBondContact O-N 2.92Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.11Å; T167-W171 HydrophobicContact CG2-CG 4.11Å; T167-W171 HydrophobicContact CG2-CH2 4.37Å; T167-W171 HydrophobicContact CG2-CZ2 3.95Å; T167-W171 HydrophobicContact CG2-CZ3 4.42Å; T167-W171 PolarHBondContact O-N 2.97Å
168	Q	98.4	Very high	97.5	Very high	39 Å²	39	67 Å²	67	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-49.2	-56	175.6	175.4	173.1	13.2	0	0	112	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.93Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 2.92Å; A159-Q168 HydrophobicContact CB-CB 4.33Å; A159-Q168 VanDerWaalsContact CB-OE1 3.32Å; A164-Q168 PolarHBondContact O-N 2.85Å; Q168-K170 PolarHBondContact O-N 3.1Å; Q168-K170 VanDerWaalsContact O-N 3.16Å; Q168-W171 PolarHBondContact O-N 2.64Å; Q168-W171 VanDerWaalsContact O-N 3.07Å; Q168-E172 VanDerWaalsContact CG-CD 3.46Å; Q168-E172 HydrophobicContact CG-CG 4.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.38Å; Q168-E172 PolarHBondContact NE2-OE1 2.87Å; Q168-E172 WeakPolarHBondContact O-CB 3.22Å; Q168-E172 WeakPolarHBondContact O-CG 3.29Å; Q168-E172 PolarHBondContact O-N 2.64Å
169	R	98.4	Very high	97.2	Very high	149 Å²	149	69.2 Å²	69.2	56%	0.562	36%	0.359	S	S	*	.	H	α-helix	trans	-59	-31.7	-179.4	-67.9	169.5	-164.1	148.2	11.5	113.1	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.28Å; Q165-R169 WeakPolarHBondContact O-CG 3.32Å; Q165-R169 PolarHBondContact O-N 3.32Å; Q165-R169 VanDerWaalsContact O-N 3.16Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.11Å; T167-R169 PolarHBondContact O-N 3.25Å; R169-A173 VanDerWaalsContact O-CB 3.27Å; R169-A173 WeakPolarHBondContact O-CB 3.4Å; R169-A173 PolarHBondContact O-N 2.92Å
170	K	97.3	Very high	96.8	Very high	114 Å²	114	69.6 Å²	69.6	50%	0.496	36%	0.357	S	S	.	.	H	α-helix	trans	-73.9	-42.9	176.6	-71.4	172.4	-177.5	-179.2	0	111.3	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.12Å; I166-K170 WeakPolarHBondContact O-CD 3.44Å; I166-K170 VanDerWaalsContact O-CG 3.31Å; I166-K170 WeakPolarHBondContact O-CG 3.18Å; T167-K170 WeakPolarHBondContact O-CB 3.28Å; T167-K170 PolarHBondContact O-N 2.92Å; Q168-K170 PolarHBondContact O-N 3.1Å; Q168-K170 VanDerWaalsContact O-N 3.16Å; K170-A173 PolarHBondContact O-N 2.88Å; K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 3.33Å
171	W	97.4	Very high	96.5	Very high	58 Å²	58	70 Å²	70	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-36.1	179.7	-73.6	0.6	0	0	0	112.7	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.96Å; I148-W171 HydrophobicContact CD1-CZ3 4.27Å; I148-W171 HydrophobicContact CG2-CE3 4.36Å; I148-W171 HydrophobicContact CG2-CH2 4.05Å; I148-W171 HydrophobicContact CG2-CZ3 3.63Å; W157-W171 AromaticContact CD2-CE3 3.98Å; W157-W171 HydrophobicContact CD2-CE3 3.98Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 AromaticContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CH2-CZ3 3.46Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.4Å; W157-W171 HydrophobicContact CZ3-CZ3 3.4Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.4Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.11Å; T167-W171 HydrophobicContact CG2-CG 4.11Å; T167-W171 HydrophobicContact CG2-CH2 4.37Å; T167-W171 HydrophobicContact CG2-CZ2 3.95Å; T167-W171 HydrophobicContact CG2-CZ3 4.42Å; T167-W171 PolarHBondContact O-N 2.97Å; Q168-W171 PolarHBondContact O-N 2.64Å; Q168-W171 VanDerWaalsContact O-N 3.07Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 2.87Å; W171-R175 PolarHBondContact O-N 3.39Å; W171-E176 HydrophobicContact CB-CB 4.05Å; W171-E176 HydrophobicContact CB-CG 3.8Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.24Å; W171-E176 HydrophobicContact CG-CG 3.78Å; W171-E176 PolarHBondContact O-N 2.99Å
172	E	98	Very high	96.3	Very high	93 Å²	93	70.6 Å²	70.6	44%	0.435	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-47.7	170.5	-71.2	168.4	169	0	0	111.2	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.46Å; Q168-E172 HydrophobicContact CG-CG 4.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.38Å; Q168-E172 PolarHBondContact NE2-OE1 2.87Å; Q168-E172 WeakPolarHBondContact O-CB 3.22Å; Q168-E172 WeakPolarHBondContact O-CG 3.29Å; Q168-E172 PolarHBondContact O-N 2.64Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.14Å; E172-R175 PolarHBondContact O-N 2.82Å; E172-R175 VanDerWaalsContact O-N 3.13Å
173	A	97.8	Very high	95.8	Very high	89 Å²	89	69.2 Å²	69.2	74%	0.736	34%	0.34	S	S	*	.	H	α-helix	trans	-63.5	-33.1	177.2	0	0	0	0	0	113.3	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.27Å; R169-A173 WeakPolarHBondContact O-CB 3.4Å; R169-A173 PolarHBondContact O-N 2.92Å; K170-A173 PolarHBondContact O-N 2.88Å
174	A	97.1	Very high	95.4	Very high	48 Å²	48	69.1 Å²	69.1	40%	0.397	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.9	176.1	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 3.33Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 2.87Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.14Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 2.9Å
175	R	96.4	Very high	94.9	Very high	153 Å²	153	73.1 Å²	73.1	58%	0.577	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	36.9	-176.5	-61.5	168.5	169.6	-124.2	6.1	114	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.39Å; E172-R175 PolarHBondContact O-N 2.82Å; E172-R175 VanDerWaalsContact O-N 3.13Å; R175-A177 PolarHBondContact O-N 2.97Å; R175-E178 HydrophobicContact CB-CB 4.39Å; R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 IonicContact CZ-OE1 2.77Å; R175-E178 IonicContact NE-OE1 3.24Å; R175-E178 IonicContact NH1-OE1 2.66Å; R175-E178 PolarHBondContact NH1-OE1 3.05Å; R175-E178 IonicContact NH1-OE2 3.73Å; R175-E178 PolarHBondContact NH1-OE2 3.39Å; R175-E178 VanDerWaalsContact NH1-OE2 3.16Å; R175-E178 WeakPolarHBondContact O-CB 3.5Å; R175-E178 PolarHBondContact O-N 3Å
176	E	95.1	Very high	94.5	Very high	64 Å²	64	71 Å²	71	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-56	-36.5	-178	-62.6	-76.1	-172.9	0	0	112.1	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.29Å; W171-E176 HydrophobicContact CB-CB 4.05Å; W171-E176 HydrophobicContact CB-CG 3.8Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.24Å; W171-E176 HydrophobicContact CG-CG 3.78Å; W171-E176 PolarHBondContact O-N 2.99Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 2.9Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 2.91Å; E176-Q179 PolarHBondContact O-N 3.42Å; E176-Q179 VanDerWaalsContact O-N 3.15Å; E176-L180 WeakPolarHBondContact O-CG 2.99Å; E176-L180 PolarHBondContact O-N 3Å
177	A	95.4	Very high	94	Very high	8 Å²	8	71 Å²	71	7%	0.066	36%	0.358	C	S	.	.	H	α-helix	trans	-61.4	-34.3	176.9	0	0	0	0	0	113.1	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 4.01Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; R175-A177 PolarHBondContact O-N 2.97Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.02Å; A177-R181 WeakPolarHBondContact O-CB 3.44Å; A177-R181 PolarHBondContact O-N 2.77Å
178	E	94.4	Very high	93.6	Very high	110 Å²	110	70.3 Å²	70.3	51%	0.514	35%	0.353	S	S	.	.	H	α-helix	trans	-65.3	-38.5	176.1	-63.9	179.4	-173.6	0	0	111	R175 E176 A182	R175-E178 HydrophobicContact CB-CB 4.39Å; R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 IonicContact CZ-OE1 2.77Å; R175-E178 IonicContact NE-OE1 3.24Å; R175-E178 IonicContact NH1-OE1 2.66Å; R175-E178 PolarHBondContact NH1-OE1 3.05Å; R175-E178 IonicContact NH1-OE2 3.73Å; R175-E178 PolarHBondContact NH1-OE2 3.39Å; R175-E178 VanDerWaalsContact NH1-OE2 3.16Å; R175-E178 WeakPolarHBondContact O-CB 3.5Å; R175-E178 PolarHBondContact O-N 3Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 2.91Å; E178-A182 WeakPolarHBondContact O-CB 3.36Å; E178-A182 PolarHBondContact O-N 2.92Å; E178-A182 VanDerWaalsContact O-N 3.14Å
179	Q	91.2	Very high	93.3	Very high	127 Å²	127	68.7 Å²	68.7	59%	0.593	35%	0.346	S	S	*	.	H	α-helix	trans	-72.4	-46	178.4	-58.2	-175.2	38.7	0	0	111.8	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.42Å; E176-Q179 VanDerWaalsContact O-N 3.15Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.02Å; Q179-A182 PolarHBondContact O-N 2.84Å; Q179-Y183 PolarHBondContact O-N 2.85Å
180	L	91.5	Very high	93.1	Very high	32 Å²	32	67.5 Å²	67.5	17%	0.168	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-43.7	177.5	-71.9	165.7	0	0	0	111.3	D138 W157 E176 A182 Y183 L184	D138-L180 VanDerWaalsContact OD2-CD1 3.29Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.36Å; W157-L180 HydrophobicContact CH2-CD1 3.45Å; W157-L180 VanDerWaalsContact CH2-CD1 3.45Å; W157-L180 HydrophobicContact CZ2-CD1 3.75Å; E176-L180 WeakPolarHBondContact O-CG 2.99Å; E176-L180 PolarHBondContact O-N 3Å; L180-A182 PolarHBondContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 3.15Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 2.82Å
181	R	92.6	Very high	93	Very high	72 Å²	72	64.1 Å²	64.1	27%	0.272	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-45.4	175.5	-175.5	172.8	176.5	-111.7	-19.4	111.9	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.8Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-R181 WeakPolarHBondContact O-CD 3.5Å; A177-R181 WeakPolarHBondContact O-CB 3.44Å; A177-R181 PolarHBondContact O-N 2.77Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.21Å; R181-L184 PolarHBondContact O-N 3.11Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.16Å; R181-E185 IonicContact CZ-OE2 2.71Å; R181-E185 IonicContact NE-OE1 3.96Å; R181-E185 PolarHBondContact NE-OE1 3.3Å; R181-E185 IonicContact NE-OE2 3.66Å; R181-E185 PolarHBondContact NE-OE2 3.24Å; R181-E185 VanDerWaalsContact NH2-CD 3.29Å; R181-E185 IonicContact NH2-OE1 2.86Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 2.76Å; R181-E185 PolarHBondContact NH2-OE2 2.9Å; R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 WeakPolarHBondContact O-CG 3.38Å; R181-E185 PolarHBondContact O-N 3Å
182	A	92.6	Very high	92.9	Very high	65 Å²	65	61.4 Å²	61.4	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-36.8	176.8	0	0	0	0	0	112.7	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.36Å; E178-A182 PolarHBondContact O-N 2.92Å; E178-A182 VanDerWaalsContact O-N 3.14Å; Q179-A182 PolarHBondContact O-N 2.84Å; L180-A182 PolarHBondContact O-N 3.11Å; A182-G186 PolarHBondContact O-N 3.21Å
183	Y	88.8	Confident	92.7	Very high	82 Å²	82	62.8 Å²	62.8	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-69.5	-45.7	174.9	178.5	-110	0	0	0	112.4	Y123 Q179 L180 R181 T187 Y188	Y123-Y183 HydrophobicContact CE2-CE1 4.2Å; Q179-Y183 PolarHBondContact O-N 2.85Å; L180-Y183 PolarHBondContact O-N 3.15Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.21Å; Y183-T187 HydrophobicContact CD2-CG2 4.38Å; Y183-T187 HydrophobicContact CE2-CG2 4.04Å; Y183-T187 PolarHBondContact O-N 3.27Å; Y183-Y188 HydrophobicContact CD1-CD2 4.33Å; Y183-Y188 AromaticContact CE1-CD2 3.51Å; Y183-Y188 HydrophobicContact CE1-CD2 3.51Å; Y183-Y188 HydrophobicContact CE1-CE2 4.27Å; Y183-Y188 HydrophobicContact CE1-CG 4.33Å; Y183-Y188 AromaticContact CZ-CD2 3.79Å; Y183-Y188 VanDerWaalsContact O-CB 3.27Å; Y183-Y188 WeakPolarHBondContact O-CB 3.33Å; Y183-Y188 PolarHBondContact O-N 2.81Å
184	L	88.4	Confident	92.5	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-70.7	-35.1	-178.8	-71.7	172.8	0	0	0	113.5	G124 L150 L154 L180 R181 Y188 V189	G124-L184 WeakPolarHBondContact O-CD2 3.49Å; L150-L184 HydrophobicContact CD2-CD1 4.24Å; L154-L184 HydrophobicContact CD2-CD1 4.45Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 2.82Å; R181-L184 PolarHBondContact O-N 3.11Å; L184-Y188 HydrophobicContact CD2-CD1 4.26Å; L184-Y188 HydrophobicContact CD2-CG 4.18Å; L184-V189 VanDerWaalsContact O-CG2 3.31Å; L184-V189 WeakPolarHBondContact O-CG2 3.41Å
185	E	88.8	Confident	92.5	Very high	85 Å²	85	62 Å²	62	40%	0.397	29%	0.29	S	S	.	.	H	α-helix	trans	-80.6	-24.2	177	-71.1	-178.5	165.3	0	0	113.2	L133 R181	L133-E185 HydrophobicContact CD2-CB 4.45Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.16Å; R181-E185 IonicContact CZ-OE2 2.71Å; R181-E185 IonicContact NE-OE1 3.96Å; R181-E185 PolarHBondContact NE-OE1 3.3Å; R181-E185 IonicContact NE-OE2 3.66Å; R181-E185 PolarHBondContact NE-OE2 3.24Å; R181-E185 VanDerWaalsContact NH2-CD 3.29Å; R181-E185 IonicContact NH2-OE1 2.86Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 2.76Å; R181-E185 PolarHBondContact NH2-OE2 2.9Å; R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 WeakPolarHBondContact O-CG 3.38Å; R181-E185 PolarHBondContact O-N 3Å
186	G	89.6	Confident	92.4	Very high	26 Å²	26	55.5 Å²	55.5	27%	0.268	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-100.7	-177.7	0	0	0	0	0	112.9	A182 Y188 V189 E190	A182-G186 PolarHBondContact O-N 3.21Å; G186-Y188 PolarHBondContact O-N 2.94Å; G186-Y188 VanDerWaalsContact O-N 3.07Å; G186-V189 WeakPolarHBondContact O-CB 3.48Å; G186-V189 PolarHBondContact O-N 3.13Å; G186-E190 PolarHBondContact O-N 2.96Å
187	T	87.8	Confident	92.4	Very high	59 Å²	59	58.1 Å²	58.1	36%	0.362	28%	0.278	S	S	.	.	H	α-helix	trans	-51	-37.4	-170.8	-58	0	0	0	0	113.8	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 4.38Å; Y183-T187 HydrophobicContact CE2-CG2 4.04Å; Y183-T187 PolarHBondContact O-N 3.27Å; T187-E190 PolarHBondContact O-N 2.83Å; T187-W191 PolarHBondContact O-N 2.82Å
188	Y	89.4	Confident	92.4	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-39.3	-178.5	-158.2	-92.1	0	0	0	112.7	M29 R30 Y31 Y123 G124 C125 Y183 L184 G186 W191 L192	M29-Y188 HydrophobicContact CB-CE1 3.75Å; M29-Y188 HydrophobicContact CE-CD1 3.63Å; M29-Y188 HydrophobicContact CE-CD2 3.84Å; M29-Y188 HydrophobicContact CE-CE1 3.41Å; M29-Y188 VanDerWaalsContact CE-CE1 3.41Å; M29-Y188 HydrophobicContact CE-CE2 3.64Å; M29-Y188 HydrophobicContact CE-CG 3.84Å; M29-Y188 VanDerWaalsContact CE-O 3.3Å; M29-Y188 WeakPolarHBondContact CE-O 3.34Å; M29-Y188 HydrophobicContact CG-CE1 4.13Å; M29-Y188 WeakPolarHBondContact CG-OH 3.42Å; M29-Y188 WeakPolarHBondContact O-CE1 3.34Å; M29-Y188 PolarHBondContact O-OH 3.38Å; R30-Y188 PolarHBondContact N-OH 2.92Å; Y31-Y188 AromaticContact CD2-CE2 3.8Å; Y31-Y188 HydrophobicContact CD2-CE2 3.8Å; Y31-Y188 AromaticContact CD2-CZ 3.99Å; Y31-Y188 VanDerWaalsContact CD2-OH 3.24Å; Y31-Y188 WeakPolarHBondContact CD2-OH 3.46Å; Y31-Y188 AromaticContact CE2-CE2 3.62Å; Y31-Y188 HydrophobicContact CE2-CE2 3.62Å; Y31-Y188 AromaticContact CE2-CZ 3.95Å; Y31-Y188 WeakPolarHBondContact CE2-OH 3.23Å; Y123-Y188 HydrophobicContact CD2-CE2 4.17Å; Y123-Y188 AromaticContact CE2-CE2 3.81Å; Y123-Y188 HydrophobicContact CE2-CE2 3.81Å; G124-Y188 WeakPolarHBondContact CA-OH 3.48Å; C125-Y188 HydrophobicContact CB-CD1 3.79Å; C125-Y188 HydrophobicContact CB-CE1 3.95Å; C125-Y188 WeakPolarHBondContact SG-CD1 3.48Å; Y183-Y188 HydrophobicContact CD1-CD2 4.33Å; Y183-Y188 AromaticContact CE1-CD2 3.51Å; Y183-Y188 HydrophobicContact CE1-CD2 3.51Å; Y183-Y188 HydrophobicContact CE1-CE2 4.27Å; Y183-Y188 HydrophobicContact CE1-CG 4.33Å; Y183-Y188 AromaticContact CZ-CD2 3.79Å; Y183-Y188 VanDerWaalsContact O-CB 3.27Å; Y183-Y188 WeakPolarHBondContact O-CB 3.33Å; Y183-Y188 PolarHBondContact O-N 2.81Å; L184-Y188 HydrophobicContact CD2-CD1 4.26Å; L184-Y188 HydrophobicContact CD2-CG 4.18Å; G186-Y188 PolarHBondContact O-N 2.94Å; G186-Y188 VanDerWaalsContact O-N 3.07Å; Y188-W191 PolarHBondContact O-N 3.09Å; Y188-L192 PolarHBondContact O-N 3.33Å; Y188-L192 VanDerWaalsContact O-N 3.11Å
189	V	91.8	Very high	92.4	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-41.4	173.1	-179	0	0	0	0	110.9	L127 L133 L184 G186 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.18Å; L127-V189 HydrophobicContact CD2-CB 4.39Å; L127-V189 HydrophobicContact CD2-CG1 3.84Å; L127-V189 HydrophobicContact CD2-CG2 4.01Å; L133-V189 HydrophobicContact CB-CG2 4.37Å; L133-V189 HydrophobicContact CD1-CG2 4.49Å; L184-V189 VanDerWaalsContact O-CG2 3.31Å; L184-V189 WeakPolarHBondContact O-CG2 3.41Å; G186-V189 WeakPolarHBondContact O-CB 3.48Å; G186-V189 PolarHBondContact O-N 3.13Å; V189-L192 PolarHBondContact O-N 2.79Å; V189-R193 HydrophobicContact CG1-CG 4.47Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 2.93Å
190	E	93.4	Very high	92.5	Very high	123 Å²	123	53.7 Å²	53.7	58%	0.575	26%	0.257	S	S	*	.	H	α-helix	trans	-61.8	-43.5	178.4	-65.7	175.2	157.1	0	0	111.9	G186 T187 R194	G186-E190 PolarHBondContact O-N 2.96Å; T187-E190 PolarHBondContact O-N 2.83Å; E190-R194 WeakPolarHBondContact O-CB 3.46Å; E190-R194 PolarHBondContact O-N 3.24Å
191	W	95	Very high	92.4	Very high	44 Å²	44	60.7 Å²	60.7	17%	0.167	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-44.4	175.9	-80.9	107.8	0	0	0	112.8	M29 Y83 T187 Y188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.02Å; Y83-W191 AromaticContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CZ2 4.31Å; Y83-W191 AromaticContact CD2-CZ3 3.78Å; Y83-W191 HydrophobicContact CD2-CZ3 3.78Å; Y83-W191 HydrophobicContact CE2-CE3 4.21Å; Y83-W191 HydrophobicContact CE2-CH2 4.05Å; Y83-W191 AromaticContact CE2-CZ3 3.79Å; Y83-W191 HydrophobicContact CE2-CZ3 3.79Å; T187-W191 PolarHBondContact O-N 2.82Å; Y188-W191 PolarHBondContact O-N 3.09Å; W191-R193 PolarHBondContact O-N 2.74Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 2.83Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.49Å; W191-Y195 AromaticContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE2 4.42Å; W191-Y195 AromaticContact CE3-CZ 3.53Å; W191-Y195 VanDerWaalsContact CE3-OH 3.3Å; W191-Y195 HydrophobicContact CZ3-CE1 4.04Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 3.19Å
192	L	95.4	Very high	92.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-44.3	177.2	173.2	50.9	0	0	0	111.4	M29 V52 L127 Y188 V189 R194 Y195 L196	M29-L192 HydrophobicContact CB-CB 4.17Å; M29-L192 HydrophobicContact CB-CD1 4.07Å; M29-L192 HydrophobicContact CB-CD2 3.9Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 3.95Å; M29-L192 HydrophobicContact SD-CB 4.3Å; V52-L192 HydrophobicContact CG1-CD1 3.57Å; V52-L192 HydrophobicContact CG2-CD1 4.17Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.51Å; L127-L192 HydrophobicContact CD1-CG 3.71Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.35Å; Y188-L192 PolarHBondContact O-N 3.33Å; Y188-L192 VanDerWaalsContact O-N 3.11Å; V189-L192 PolarHBondContact O-N 2.79Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 2.79Å; L192-Y195 PolarHBondContact O-N 2.69Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.31Å; L192-L196 HydrophobicContact CD1-CG 3.74Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 HydrophobicContact CG-CG 4.42Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.16Å
193	R	93.6	Very high	92.2	Very high	123 Å²	123	56.7 Å²	56.7	46%	0.464	27%	0.266	S	S	.	.	H	α-helix	trans	-58.9	-41.5	174.1	-71.4	176.1	-176.2	166.4	1.3	112.6	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 4.29Å; G131-R193 PolarHBondContact O-NE 2.99Å; G131-R193 VanDerWaalsContact O-NE 3.1Å; G131-R193 PolarHBondContact O-NH2 3.32Å; V189-R193 HydrophobicContact CG1-CG 4.47Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 2.93Å; W191-R193 PolarHBondContact O-N 2.74Å; R193-L196 PolarHBondContact O-N 3.36Å; R193-E197 PolarHBondContact O-N 3.1Å; R193-E197 VanDerWaalsContact O-N 3.12Å
194	R	95.1	Very high	92.2	Very high	119 Å²	119	57.1 Å²	57.1	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-44.9	174.9	178.6	179.4	174.1	111.3	-6.1	111.5	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.35Å; E79-R194 IonicContact OE1-CZ 2.75Å; E79-R194 IonicContact OE1-NE 3.83Å; E79-R194 PolarHBondContact OE1-NE 2.94Å; E79-R194 IonicContact OE1-NH2 3.33Å; E79-R194 PolarHBondContact OE1-NH2 3.44Å; E79-R194 IonicContact OE2-CZ 3.21Å; E79-R194 IonicContact OE2-NE 2.74Å; E79-R194 PolarHBondContact OE2-NE 2.85Å; E79-R194 IonicContact OE2-NH2 3.47Å; E79-R194 PolarHBondContact OE2-NH2 3.42Å; E190-R194 WeakPolarHBondContact O-CB 3.46Å; E190-R194 PolarHBondContact O-N 3.24Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 2.83Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 2.79Å; R194-E197 PolarHBondContact O-N 2.85Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 PolarHBondContact O-N 2.84Å; R194-N198 PolarHBondContact O-OD1 3.16Å
195	Y	95.9	Very high	92.3	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-38.1	178	-61	-30	0	0	0	112.8	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact CE-CE2 4.48Å; M29-Y195 HydrophobicContact SD-CD2 3.53Å; M29-Y195 VanDerWaalsContact SD-CD2 3.53Å; M29-Y195 HydrophobicContact SD-CE2 3.45Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.31Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; F57-Y195 HydrophobicContact CD2-CE2 4.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.16Å; F57-Y195 AromaticContact CE2-CE2 3.56Å; F57-Y195 HydrophobicContact CE2-CE2 3.56Å; F57-Y195 AromaticContact CE2-CZ 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.2Å; F57-Y195 AromaticContact CZ-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CE2 3.7Å; W75-Y195 HydrophobicContact CE3-CD1 4.37Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.69Å; W75-Y195 HydrophobicContact CZ3-CD1 3.69Å; W75-Y195 HydrophobicContact CZ3-CD2 4.32Å; W75-Y195 HydrophobicContact CZ3-CE1 4.47Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; V76-Y195 HydrophobicContact CG2-CE1 4.38Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.18Å; Y83-Y195 PolarHBondContact OH-OH 2.84Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.49Å; W191-Y195 AromaticContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE2 4.42Å; W191-Y195 AromaticContact CE3-CZ 3.53Å; W191-Y195 VanDerWaalsContact CE3-OH 3.3Å; W191-Y195 HydrophobicContact CZ3-CE1 4.04Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 3.19Å; L192-Y195 PolarHBondContact O-N 2.69Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 3.43Å; Y195-N198 PolarHBondContact O-N 2.73Å; Y195-G199 WeakPolarHBondContact O-CA 3.27Å; Y195-G199 PolarHBondContact O-N 3.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.5Å
196	L	94.6	Very high	92.4	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-35.4	175.7	-72.3	168	0	0	0	112.9	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.31Å; L192-L196 HydrophobicContact CD1-CG 3.74Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 HydrophobicContact CG-CG 4.42Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.16Å; R193-L196 PolarHBondContact O-N 3.36Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.47Å; L196-K200 WeakPolarHBondContact O-CB 3.18Å; L196-K200 PolarHBondContact O-N 3.14Å; L196-K200 VanDerWaalsContact O-N 3.16Å; L196-L203 HydrophobicContact CD2-CB 4.21Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 2.69Å
197	E	94.5	Very high	92.6	Very high	119 Å²	119	60.4 Å²	60.4	56%	0.556	28%	0.283	S	S	*	.	H	α-helix	trans	-76.8	-44.8	174.1	-169.1	61.4	-160.1	0	0	111.3	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.1Å; R193-E197 VanDerWaalsContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 2.85Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 3.43Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.08Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 3.01Å; E197-K200 IonicContact OE1-NZ 3.7Å; E197-K200 IonicContact OE2-NZ 3.85Å; E197-K200 PolarHBondContact OE2-NZ 3.01Å
198	N	95.7	Very high	93	Very high	54 Å²	54	62.4 Å²	62.4	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-57.9	-41.7	176.1	-76.1	3.4	0	0	0	112.8	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.5Å; Q78-N198 VanDerWaalsContact NE2-CB 3.3Å; Q78-N198 PolarHBondContact NE2-ND2 3.03Å; E79-N198 PolarHBondContact OE1-ND2 3.23Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 PolarHBondContact O-N 2.84Å; R194-N198 PolarHBondContact O-OD1 3.16Å; Y195-N198 PolarHBondContact O-N 2.73Å
199	G	94.7	Very high	93.4	Very high	3 Å²	3	62.7 Å²	62.7	3%	0.031	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	16.1	-175	0	0	0	0	0	114.1	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.48Å; W75-G199 VanDerWaalsContact CG-CA 3.43Å; Y195-G199 WeakPolarHBondContact O-CA 3.27Å; Y195-G199 PolarHBondContact O-N 3.3Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.08Å; G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 2.83Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.46Å; G199-T202 PolarHBondContact O-N 2.8Å; G199-L203 PolarHBondContact O-N 2.89Å
200	K	92.8	Very high	93.7	Very high	95 Å²	95	69.5 Å²	69.5	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-46.7	-47.4	-170.5	-174.5	168.8	-162.1	157.5	0	114.7	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.47Å; L196-K200 WeakPolarHBondContact O-CB 3.18Å; L196-K200 PolarHBondContact O-N 3.14Å; L196-K200 VanDerWaalsContact O-N 3.16Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 3.01Å; E197-K200 IonicContact OE1-NZ 3.7Å; E197-K200 IonicContact OE2-NZ 3.85Å; E197-K200 PolarHBondContact OE2-NZ 3.01Å; K200-T202 PolarHBondContact O-N 3.01Å; K200-Q204 HydrophobicContact CG-CB 4.49Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.24Å; K200-Q204 PolarHBondContact O-N 3.14Å
201	E	90.4	Very high	93.9	Very high	180 Å²	180	65.4 Å²	65.4	84%	0.841	30%	0.302	S	S	*	.	H	α-helix	trans	-63.9	-21.5	179.8	-59.9	-175.2	162.8	0	0	113.8	G199	G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 2.83Å; G199-E201 VanDerWaalsContact O-N 3.16Å
202	T	89.9	Confident	94	Very high	48 Å²	48	67 Å²	67	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-106.9	-34.3	-177.8	-52.5	0	0	0	0	113.2	G199 K200 R205	G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.46Å; G199-T202 PolarHBondContact O-N 2.8Å; K200-T202 PolarHBondContact O-N 3.01Å; T202-R205 WeakPolarHBondContact O-CG 3.36Å; T202-R205 PolarHBondContact O-NE 2.99Å; T202-R205 VanDerWaalsContact O-NE 3.11Å
203	L	91	Very high	94.1	Very high	5 Å²	5	68 Å²	68	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-94.5	-32.1	-173.9	-63	173.9	0	0	0	113	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.18Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.77Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å; Y195-L203 WeakPolarHBondContact O-CD1 3.5Å; L196-L203 HydrophobicContact CD2-CB 4.21Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 PolarHBondContact O-N 2.89Å
204	Q	88.7	Confident	94.3	Very high	90 Å²	90	63.8 Å²	63.8	42%	0.421	31%	0.305	S	S	.	.	S	Bend	trans	-101.3	22.4	178.4	-56	176.6	30.1	0	0	111.8	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.69Å; K200-Q204 HydrophobicContact CG-CB 4.49Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.24Å; K200-Q204 PolarHBondContact O-N 3.14Å
205	R	89.8	Confident	94.3	Very high	80 Å²	80	60.8 Å²	60.8	30%	0.302	30%	0.296	S	S	.	.			trans	-96.1	146.4	169.6	75	-173.7	168.2	157.3	0.9	109.2	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.36Å; T202-R205 PolarHBondContact O-NE 2.99Å; T202-R205 VanDerWaalsContact O-NE 3.11Å; R205-E207 IonicContact CZ-OE1 3.43Å; R205-E207 VanDerWaalsContact CZ-OE1 3.24Å; R205-E207 IonicContact NE-OE1 3.54Å; R205-E207 IonicContact NH1-OE1 2.73Å; R205-E207 PolarHBondContact NH1-OE1 2.91Å; R205-Y233 HydrophobicContact CG-CD1 4.27Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å
206	A	91.9	Very high	94.3	Very high	40 Å²	40	64.7 Å²	64.7	33%	0.331	32%	0.315	S	S	.	.			trans	-117	124.7	162.9	0	0	0	0	0	108.8	Y233	A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 2.98Å
207	E	94.2	Very high	94.2	Very high	62 Å²	62	68.6 Å²	68.6	29%	0.29	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-100.9	119.6	174.4	-68.7	-169.4	-157.4	0	0	109.2	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.43Å; R205-E207 VanDerWaalsContact CZ-OE1 3.24Å; R205-E207 IonicContact NE-OE1 3.54Å; R205-E207 IonicContact NH1-OE1 2.73Å; R205-E207 PolarHBondContact NH1-OE1 2.91Å; E207-F232 WeakPolarHBondContact O-CA 3.32Å; E207-F232 VanDerWaalsContact O-CB 3.29Å; E207-F232 WeakPolarHBondContact O-CB 3.4Å; E207-Y233 PolarHBondContact N-O 3.43Å; E207-Y233 PolarHBondContact O-N 3.37Å; E207-Y233 VanDerWaalsContact O-N 3.12Å; E207-H287 PolarHBondContact O-CE1 2.94Å
208	H	95.3	Very high	94.1	Very high	101 Å²	101	67.3 Å²	67.3	47%	0.468	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-68.1	142.6	-177.3	-46.9	-95.8	0	0	0	112.1	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.18Å; H208-G289 PolarHBondContact CE1-O 3.19Å; H208-G289 PolarHBondContact ND1-O 2.89Å; H208-L290 HydrophobicContact CB-CD2 4.08Å
209	P	97.6	Very high	93.9	Very high	8 Å²	8	67.2 Å²	67.2	5%	0.052	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-66.5	128.3	175.9	27.9	-35.5	0	0	0	112.1	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.19Å; P209-T211 PolarHBondContact O-N 3.24Å; P209-A229 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CB 3.93Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.03Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.35Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	97.9	Very high	93.7	Very high	149 Å²	149	74.3 Å²	74.3	65%	0.648	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	101.8	166	-64.9	164.1	-171.8	157.1	0	107.9	H208 L230	H208-K210 PolarHBondContact O-N 3.18Å; K210-L230 WeakPolarHBondContact CB-O 3.34Å; K210-L230 PolarHBondContact N-O 2.79Å; K210-L230 PolarHBondContact O-N 2.9Å; K210-L230 VanDerWaalsContact O-N 3.14Å
211	T	97.9	Very high	93.7	Very high	36 Å²	36	76.7 Å²	76.7	22%	0.221	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	141.8	-172.5	51.1	0	0	0	0	113.3	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.19Å; P209-T211 PolarHBondContact O-N 3.24Å; T211-W228 WeakPolarHBondContact CA-O 3.47Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CG1 4.06Å; T211-V285 HydrophobicContact CG2-CG2 3.98Å; T211-L294 HydrophobicContact CG2-CD1 4.3Å; T211-L296 HydrophobicContact CG2-CD1 4.27Å
212	H	97.2	Very high	93.9	Very high	78 Å²	78	72.6 Å²	72.6	36%	0.361	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	158	170.5	64.4	-73.4	0	0	0	111.2	W228	H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.88Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.68Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.83Å; H212-W228 PolarHBondContact O-N 2.76Å
213	V	98.2	Very high	94.2	Very high	22 Å²	22	70.4 Å²	70.4	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.9	175.9	180	0	0	0	0	109.8	L225 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.43Å; V213-C227 HydrophobicContact CG2-CB 4.33Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; V213-L296 HydrophobicContact CG2-CB 3.84Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.8Å
214	T	96.9	Very high	94.5	Very high	33 Å²	33	71.2 Å²	71.2	20%	0.202	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.1	176	53.2	0	0	0	0	110.4	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.27Å; T214-L225 CarbonylContact O-C 3.58Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; T214-R226 PolarHBondContact N-O 3.45Å; T214-R226 PolarHBondContact O-N 3.08Å; T214-R226 PolarHBondContact OG1-O 2.89Å; T214-W228 PolarHBondContact OG1-NE1 3.34Å; T214-W228 VanDerWaalsContact OG1-NE1 3.09Å
215	H	96.1	Very high	95	Very high	56 Å²	56	66.9 Å²	66.9	26%	0.259	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.3	-178	166.2	-89.1	0	0	0	110	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.26Å; H215-A223 WeakPolarHBondContact NE2-CB 3.3Å; H215-L225 HydrophobicContact CB-CD2 3.94Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 HydrophobicContact CB-CG 4.1Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 VanDerWaalsContact CB-NE1 3.31Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact ND1-CZ2 3.95Å
216	H	94.6	Very high	95.4	Very high	84 Å²	84	65.4 Å²	65.4	39%	0.389	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	107.1	-178.8	-57.2	80.9	0	0	0	109.1	T214 V218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 3.27Å; H216-V218 PolarHBondContact O-N 2.9Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.5Å; H216-T224 PolarHBondContact N-O 3.44Å; H216-T224 PolarHBondContact O-N 3.45Å
217	P	93.9	Very high	95.7	Very high	97 Å²	97	63.5 Å²	63.5	63%	0.63	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	132.9	172.1	-20.9	31.4	0	0	0	110.8
218	V	91.3	Very high	95.9	Very high	92 Å²	92	63 Å²	63	56%	0.558	32%	0.32	S	S	*	.			trans	-107	-39	175.7	-177.9	0	0	0	0	110.1	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.9Å; V218-E222 PolarHBondContact N-O 2.77Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.46Å
219	S	91.9	Very high	96	Very high	52 Å²	52	58.1 Å²	58.1	36%	0.364	30%	0.298	S	S	.	.	S	Bend	trans	-149	-178.3	174.6	71.2	0	0	0	0	110.7	H221 E222	S219-H221 PolarHBondContact O-N 3.49Å; S219-H221 VanDerWaalsContact O-N 3.14Å; S219-H221 PolarHBondContact OG-N 3.02Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 3.27Å; S219-E222 PolarHBondContact OG-N 3.5Å; S219-E222 VanDerWaalsContact OG-N 3.14Å
220	D	89.4	Confident	96.1	Very high	152 Å²	152	60.4 Å²	60.4	81%	0.813	31%	0.31	S	S	*	.	S	Bend	trans	-67.7	-2.8	171.1	-63.3	-28.2	0	0	0	113.5
221	H	93.1	Very high	96	Very high	146 Å²	146	54 Å²	54	68%	0.676	29%	0.286	S	S	*	.	S	Bend	trans	-124.4	-16.9	-175.7	-56.5	-28.4	0	0	0	113.5	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.49Å; S219-H221 VanDerWaalsContact O-N 3.14Å; S219-H221 PolarHBondContact OG-N 3.02Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; H221-S275 PolarHBondContact O-N 2.84Å; H221-S275 PolarHBondContact O-OG 2.98Å
222	E	95.4	Very high	96	Very high	94 Å²	94	52.3 Å²	52.3	44%	0.439	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.1	-171.6	-66.6	180	164.7	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.77Å; S219-E222 PolarHBondContact N-O 3.27Å; S219-E222 PolarHBondContact OG-N 3.5Å; S219-E222 VanDerWaalsContact OG-N 3.14Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.24Å; E222-S275 PolarHBondContact N-OG 2.89Å
223	A	96.1	Very high	95.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.4	170.7	0	0	0	0	0	110.9	H215 H216 V273	H215-A223 VanDerWaalsContact NE2-CB 3.26Å; H215-A223 WeakPolarHBondContact NE2-CB 3.3Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.5Å; A223-V273 PolarHBondContact N-O 2.72Å; A223-V273 PolarHBondContact O-N 2.92Å
224	T	97.6	Very high	95.8	Very high	22 Å²	22	48.5 Å²	48.5	14%	0.135	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.7	169.5	-52.4	0	0	0	0	109.8	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.44Å; H216-T224 PolarHBondContact O-N 3.45Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.46Å; T224-A270 HydrophobicContact CG2-CB 3.87Å; T224-V271 WeakPolarHBondContact CA-O 3.34Å
225	L	98.1	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.3	163.8	-63	-174.9	0	0	0	108.7	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.43Å; T214-L225 CarbonylContact O-C 3.58Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; H215-L225 HydrophobicContact CB-CD2 3.94Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.76Å; L225-W241 HydrophobicContact CD1-CH2 3.99Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-W241 HydrophobicContact CG-CH2 4.5Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.44Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 3.01Å; L225-V271 PolarHBondContact O-N 3.08Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.13Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 4Å
226	R	98.4	Very high	95.7	Very high	48 Å²	48	51.7 Å²	51.7	18%	0.181	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114.3	174.9	-179.9	-178.6	-65	110.2	3.9	110.2	T214 W228 W268 A269 A270	T214-R226 PolarHBondContact N-O 3.45Å; T214-R226 PolarHBondContact O-N 3.08Å; T214-R226 PolarHBondContact OG1-O 2.89Å; R226-W228 VanDerWaalsContact CD-CE2 3.48Å; R226-W228 VanDerWaalsContact CD-CZ2 3.44Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.78Å; R226-W268 HydrophobicContact CG-CG 4.17Å; R226-A269 WeakPolarHBondContact CA-O 3.33Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.08Å
227	C	98.4	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.5	174.1	-174.6	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.33Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.44Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.46Å; C227-A269 PolarHBondContact N-O 2.86Å; C227-A269 PolarHBondContact O-N 2.88Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.35Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.04Å
228	W	98.4	Very high	95.9	Very high	51 Å²	51	46.2 Å²	46.2	19%	0.193	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.9	179.7	-67.8	89.2	0	0	0	110.8	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.47Å; H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.88Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.68Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.83Å; H212-W228 PolarHBondContact O-N 2.76Å; T214-W228 PolarHBondContact OG1-NE1 3.34Å; T214-W228 VanDerWaalsContact OG1-NE1 3.09Å; R226-W228 VanDerWaalsContact CD-CE2 3.48Å; R226-W228 VanDerWaalsContact CD-CZ2 3.44Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CB-CG 4.5Å; W228-L230 HydrophobicContact CE3-CD2 3.96Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.76Å; W228-W268 HydrophobicContact CE3-CG 4.11Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.74Å; W228-W268 HydrophobicContact CH2-CG 4.36Å; W228-W268 HydrophobicContact CZ3-CB 4.35Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å
229	A	98.5	Very high	96.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.3	160.9	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.82Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.77Å; A229-F232 WeakPolarHBondContact O-CE1 3.31Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.24Å; A229-Q266 WeakPolarHBondContact O-CA 3.44Å; A229-K267 PolarHBondContact N-O 3.29Å; A229-K267 PolarHBondContact O-N 3.36Å; A229-K267 VanDerWaalsContact O-O 3.05Å
230	L	98.3	Very high	96.5	Very high	56 Å²	56	41.5 Å²	41.5	29%	0.293	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.6	-174.6	-59.8	176.7	0	0	0	111.1	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.34Å; K210-L230 PolarHBondContact N-O 2.79Å; K210-L230 PolarHBondContact O-N 2.9Å; K210-L230 VanDerWaalsContact O-N 3.14Å; W228-L230 HydrophobicContact CB-CG 4.5Å; W228-L230 HydrophobicContact CE3-CD2 3.96Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å
231	G	97.4	Very high	96.9	Very high	14 Å²	14	34.4 Å²	34.4	14%	0.144	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.6	41.8	169.2	0	0	0	0	0	113.5	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.44Å; G231-F265 PolarHBondContact N-O 3.17Å
232	F	97.1	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	157.1	178.5	59	-91	0	0	0	112.9	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.32Å; E207-F232 VanDerWaalsContact O-CB 3.29Å; E207-F232 WeakPolarHBondContact O-CB 3.4Å; P209-F232 HydrophobicContact CB-CB 3.93Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.77Å; A229-F232 WeakPolarHBondContact O-CE1 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.46Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.35Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.8Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.19Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; F232-T257 HydrophobicContact CE2-CG2 4.03Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.47Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.89Å; F232-F265 HydrophobicContact CE1-CB 4.33Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.45Å; F232-F265 VanDerWaalsContact CE2-CB 3.45Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 2.75Å; F232-F265 PolarHBondContact O-N 2.7Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.7Å
233	Y	95.4	Very high	97.3	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.012	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-153.2	136.4	174.2	179.4	-83.4	0	0	0	108.8	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.05Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.39Å; T55-Y233 PolarHBondContact OG1-OH 3.47Å; R205-Y233 HydrophobicContact CG-CD1 4.27Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å; A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 2.98Å; E207-Y233 PolarHBondContact N-O 3.43Å; E207-Y233 PolarHBondContact O-N 3.37Å; E207-Y233 VanDerWaalsContact O-N 3.12Å; Y233-G263 WeakPolarHBondContact CD2-O 3.28Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 HydrophobicContact CD2-CE2 4.03Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; Y233-H287 PolarHBondContact O-CE1 3.18Å
234	P	94.8	Very high	97.3	Very high	17 Å²	17	33.2 Å²	33.2	11%	0.11	17%	0.169	C	C	.	.	S	Bend	cis	-70.3	-180	1.2	30.2	-36.6	0	0	0	113.2	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.32Å; D54-P234 WeakPolarHBondContact OD2-CB 3.08Å; F232-P234 WeakPolarHBondContact CD2-O 3.46Å; P234-E236 VanDerWaalsContact C-N 3.35Å; P234-H287 PolarHBondContact O-NE2 3.16Å; P234-E288 HydrophobicContact CG-CB 4.46Å; P234-E288 WeakPolarHBondContact CG-OE2 3.4Å
235	A	96.2	Very high	97	Very high	14 Å²	14	34.5 Å²	34.5	12%	0.116	19%	0.186	C	C	.	.	S	Bend	trans	-73.2	-22.9	-175.6	0	0	0	0	0	114.1	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 VanDerWaalsContact OD2-CB 3.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.01Å; D54-A235 PolarHBondContact OD2-N 3.02Å; A235-I237 PolarHBondContact O-N 3.42Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.43Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.78Å; A235-F265 HydrophobicContact CB-CE2 3.73Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.79Å
236	E	95.4	Very high	96.9	Very high	143 Å²	143	40.8 Å²	40.8	67%	0.668	22%	0.215	S	C	*	.			trans	-66.4	116.7	-179.6	-172.2	52.2	-131	0	0	110.5	P234 H287	P234-E236 VanDerWaalsContact C-N 3.35Å; E236-H287 PolarHBondContact O-CD2 3.16Å; E236-H287 VanDerWaalsContact O-CD2 3.24Å
237	I	96.3	Very high	96.7	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.041	23%	0.231	C	C	.	.			trans	-153.8	135.2	-175.7	-165.4	169.2	0	0	0	110.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.35Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.8Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.19Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; A235-I237 PolarHBondContact O-N 3.42Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.27Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; I237-V285 HydrophobicContact CD1-CG1 4.06Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; I237-Q286 WeakPolarHBondContact CG1-O 3.46Å; I237-H287 HydrophobicContact CD1-CB 4.11Å; I237-H287 HydrophobicContact CG1-CB 3.97Å
238	T	97.3	Very high	96.6	Very high	58 Å²	58	43.9 Å²	43.9	36%	0.356	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.2	174.1	-67.5	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4Å; T238-V285 WeakPolarHBondContact O-CA 3.5Å; T238-Q286 PolarHBondContact N-O 3.18Å; T238-Q286 PolarHBondContact O-N 2.99Å
239	L	97.9	Very high	96.2	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.3	170.9	-89.7	61.6	0	0	0	108	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.24Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.27Å; L239-L254 HydrophobicContact CB-CD1 4.11Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.35Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.32Å; L239-V285 HydrophobicContact CD1-CG1 4.01Å; L239-V285 HydrophobicContact CD1-CG2 4.37Å; L239-V285 HydrophobicContact CG-CG2 4.24Å
240	T	97.7	Very high	95.8	Very high	39 Å²	39	55.5 Å²	55.5	24%	0.239	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.8	175.7	53.2	0	0	0	0	111.4	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.3Å; T240-H284 PolarHBondContact N-O 3.17Å; T240-H284 PolarHBondContact O-N 2.99Å
241	W	98.3	Very high	95.4	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.8	168.5	-83.1	107.1	0	0	0	110.1	V213 L225 C227 Q248 A269 V271 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.76Å; L225-W241 HydrophobicContact CD1-CH2 3.99Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-W241 HydrophobicContact CG-CH2 4.5Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.31Å; W241-Q248 PolarHBondContact O-N 3.16Å; W241-A269 PolarHBondContact NE1-O 3.21Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 4.04Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.72Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.03Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 3.95Å
242	Q	98	Very high	95.3	Very high	39 Å²	39	58.8 Å²	58.8	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.8	171.3	-72.5	-176	-8.6	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.41Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.22Å; Q242-D247 PolarHBondContact NE2-OD1 3.14Å; Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.29Å; Q242-T282 PolarHBondContact N-O 3.06Å; Q242-T282 PolarHBondContact O-N 2.98Å; Q242-T282 PolarHBondContact O-OG1 3.19Å; Q242-H284 VanDerWaalsContact CB-NE2 3.26Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.47Å; Q242-H284 PolarHBondContact OE1-NE2 3.06Å
243	R	97.4	Very high	95.3	Very high	78 Å²	78	64.2 Å²	64.2	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.3	167.5	-174.3	-175	69.3	-161.2	-6.6	108.8	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 2.89Å; R243-E246 PolarHBondContact N-O 3.15Å; R243-E246 PolarHBondContact O-N 2.94Å; R243-Q248 HydrophobicContact CB-CG 4Å; R243-R280 WeakPolarHBondContact CA-O 3.47Å; R243-R280 HydrophobicContact CG-CB 4.19Å; R243-Y281 HydrophobicContact CB-CD1 4.04Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.23Å; R243-Y281 HydrophobicContact CG-CD1 4.38Å; R243-Y281 HydrophobicContact CG-CD2 4.38Å; R243-Y281 HydrophobicContact CG-CE1 4.05Å; R243-Y281 HydrophobicContact CG-CE2 4.03Å
244	D	95.4	Very high	95.4	Very high	100 Å²	100	68.3 Å²	68.3	54%	0.535	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	22.7	-175.3	-52.6	-50.4	0	0	0	114.8	R280	D244-R280 PolarHBondContact N-O 2.88Å; D244-R280 IonicContact OD1-NE 2.65Å; D244-R280 PolarHBondContact OD1-NE 3.45Å; D244-R280 IonicContact OD2-CZ 3.54Å; D244-R280 IonicContact OD2-NE 3.15Å; D244-R280 PolarHBondContact OD2-NE 3.33Å; D244-R280 IonicContact OD2-NH2 3.86Å; D244-R280 PolarHBondContact OD2-NH2 3.21Å
245	G	91.8	Very high	95.5	Very high	49 Å²	49	69 Å²	69	51%	0.505	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	-1.3	-176.3	0	0	0	0	0	115.8	R243	R243-G245 PolarHBondContact O-N 2.89Å
246	E	95.8	Very high	95.5	Very high	131 Å²	131	76.6 Å²	76.6	61%	0.612	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.4	175.3	-61.9	-174.9	156.6	0	0	111.5	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.41Å; R243-E246 PolarHBondContact N-O 3.15Å; R243-E246 PolarHBondContact O-N 2.94Å; E246-Q248 PolarHBondContact O-NE2 2.96Å
247	D	95.6	Very high	95.6	Very high	97 Å²	97	72 Å²	72	52%	0.519	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.4	179.5	-66.3	-31.1	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.22Å; Q242-D247 PolarHBondContact NE2-OD1 3.14Å
248	Q	95.5	Very high	95.7	Very high	17 Å²	17	76.2 Å²	76.2	8%	0.079	40%	0.395	C	S	.	.			trans	-102.3	35.7	-176.8	-55.6	-60.4	-80.2	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.31Å; W241-Q248 PolarHBondContact O-N 3.16Å; R243-Q248 HydrophobicContact CB-CG 4Å; E246-Q248 PolarHBondContact O-NE2 2.96Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.66Å; Q248-D251 PolarHBondContact O-N 3.48Å; Q248-D251 VanDerWaalsContact O-N 3.13Å; Q248-T252 WeakPolarHBondContact O-CB 3.4Å; Q248-T252 PolarHBondContact O-N 3.49Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.98Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	90.4	Very high	95.7	Very high	103 Å²	103	77.8 Å²	77.8	63%	0.632	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.7	-167.4	-49.1	0	0	0	0	114.6
250	Q	90.4	Very high	95.6	Very high	192 Å²	192	79.9 Å²	79.9	90%	0.897	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-31	178.8	-65.5	-173.2	3.6	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.66Å
251	D	89.1	Confident	95.4	Very high	115 Å²	115	81.6 Å²	81.6	62%	0.615	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	3.1	-177.9	-53.6	-64.3	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.48Å; Q248-D251 VanDerWaalsContact O-N 3.13Å
252	T	95.6	Very high	95.1	Very high	24 Å²	24	87 Å²	87	15%	0.147	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.3	-179.5	-63.3	0	0	0	0	111.4	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.4Å; Q248-T252 PolarHBondContact O-N 3.49Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.98Å; T252-L254 HydrophobicContact CG2-CB 4.38Å; T252-L254 PolarHBondContact O-N 3.47Å; T252-A269 HydrophobicContact CG2-CB 3.94Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.33Å
253	E	97.2	Very high	94.8	Very high	114 Å²	114	87 Å²	87	53%	0.533	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	101.7	163.6	-174.6	-172.6	-162	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 HydrophobicContact CG-CH2 3.98Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 VanDerWaalsContact OE2-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.38Å; E253-A269 CarbonylContact O-C 3.49Å; E253-A269 WeakPolarHBondContact O-CA 3.46Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 2.88Å; E253-A270 PolarHBondContact O-N 2.74Å
254	L	97.1	Very high	94.7	Very high	89 Å²	89	83.7 Å²	83.7	47%	0.466	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.7	177.2	-174.6	69.2	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.11Å; T252-L254 HydrophobicContact CG2-CB 4.38Å; T252-L254 PolarHBondContact O-N 3.47Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; L254-A269 HydrophobicContact CD1-CB 3.7Å
255	V	97	Very high	94.9	Very high	32 Å²	32	80.3 Å²	80.3	19%	0.194	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-83.4	153.1	174.5	-64.4	0	0	0	0	112.4	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.88Å; V255-W268 HydrophobicContact CG1-CD2 4.03Å; V255-W268 VanDerWaalsContact CG1-CE2 3.48Å; V255-W268 HydrophobicContact CG1-CE3 4.32Å; V255-W268 HydrophobicContact CG1-CH2 3.71Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.17Å; V255-W268 HydrophobicContact CG2-CD2 3.83Å; V255-W268 HydrophobicContact CG2-CG 3.78Å; V255-W268 WeakPolarHBondContact CG2-O 3.29Å; V255-W268 PolarHBondContact N-O 2.96Å
256	E	96.9	Very high	95.2	Very high	173 Å²	173	80 Å²	80	81%	0.808	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-55.2	147.9	165.9	-67.6	-177.1	171.1	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.37Å
257	T	97.9	Very high	95.3	Very high	45 Å²	45	74.8 Å²	74.8	28%	0.276	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-70.1	128.7	174.5	-55.4	0	0	0	0	108.3	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.03Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.43Å; T257-F265 HydrophobicContact CG2-CB 3.85Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; T257-K267 WeakPolarHBondContact OG1-CD 3.39Å; T257-K267 PolarHBondContact OG1-NZ 2.96Å
258	R	97.4	Very high	95.4	Very high	98 Å²	98	71.3 Å²	71.3	37%	0.37	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.2	-174.4	70.4	-165.1	-177.5	-169.1	2.4	111.2	E256 Q266	E256-R258 PolarHBondContact O-N 3.37Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.87Å; R258-Q266 VanDerWaalsContact O-CG 3.31Å; R258-Q266 WeakPolarHBondContact O-CG 3.42Å; R258-Q266 PolarHBondContact O-N 2.88Å
259	P	97.2	Very high	95.6	Very high	90 Å²	90	70.5 Å²	70.5	58%	0.584	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	149.3	177.5	27.9	-34.7	0	0	0	111.4	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.45Å; P259-F265 HydrophobicContact CB-CE1 4.21Å; P259-Q266 PolarHBondContact O-NE2 2.82Å
260	A	96.5	Very high	96	Very high	50 Å²	50	65.7 Å²	65.7	41%	0.413	37%	0.366	S	S	.	.			trans	-89.1	-21.8	170.2	0	0	0	0	0	112.6	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.45Å; A260-T264 WeakPolarHBondContact CB-O 3.34Å; A260-T264 PolarHBondContact N-O 2.91Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
261	G	93.1	Very high	96.3	Very high	76 Å²	76	56.7 Å²	56.7	78%	0.784	32%	0.324	S	S	*	.	S	Bend	trans	99.9	-6.7	178.2	0	0	0	0	0	115
262	D	92.4	Very high	96.7	Very high	115 Å²	115	54.8 Å²	54.8	62%	0.615	32%	0.317	S	S	*	.	S	Bend	trans	-101.7	9	175.2	58.1	5.2	0	0	0	113.2	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.45Å; D262-T264 WeakPolarHBondContact OD1-CB 3.46Å; D262-T264 PolarHBondContact OD1-N 2.83Å; D262-T264 PolarHBondContact OD1-OG1 3.42Å
263	G	91.2	Very high	96.8	Very high	40 Å²	40	53.7 Å²	53.7	41%	0.412	31%	0.31	S	S	.	.	S	Bend	trans	92.1	-3.6	-172.3	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.28Å
264	T	96.3	Very high	96.7	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.049	30%	0.3	C	S	.	.			trans	-102.7	171.6	174.3	75.1	0	0	0	0	112.6	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.44Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.47Å; A260-T264 WeakPolarHBondContact CB-O 3.34Å; A260-T264 PolarHBondContact N-O 2.91Å; D262-T264 WeakPolarHBondContact OD1-CB 3.46Å; D262-T264 PolarHBondContact OD1-N 2.83Å; D262-T264 PolarHBondContact OD1-OG1 3.42Å
265	F	98.1	Very high	96.5	Very high	28 Å²	28	49.1 Å²	49.1	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	163.6	-177.8	-65.4	-84.6	0	0	0	112.7	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.75Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 3.17Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.89Å; F232-F265 HydrophobicContact CE1-CB 4.33Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.45Å; F232-F265 VanDerWaalsContact CE2-CB 3.45Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 2.75Å; F232-F265 PolarHBondContact O-N 2.7Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 HydrophobicContact CD2-CE2 4.03Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.78Å; A235-F265 HydrophobicContact CB-CE2 3.73Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.79Å; T257-F265 HydrophobicContact CG2-CB 3.85Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; P259-F265 HydrophobicContact CB-CD1 4.45Å; P259-F265 HydrophobicContact CB-CE1 4.21Å
266	Q	98.3	Very high	96.3	Very high	43 Å²	43	50.7 Å²	50.7	20%	0.201	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.3	175.9	39.1	161.8	-24.2	0	0	110.1	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.44Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.87Å; R258-Q266 VanDerWaalsContact O-CG 3.31Å; R258-Q266 WeakPolarHBondContact O-CG 3.42Å; R258-Q266 PolarHBondContact O-N 2.88Å; P259-Q266 PolarHBondContact O-NE2 2.82Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
267	K	98.6	Very high	96.2	Very high	21 Å²	21	45.4 Å²	45.4	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.3	176.9	-161.3	-176.1	-169.7	66.8	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.29Å; A229-K267 PolarHBondContact O-N 3.36Å; A229-K267 VanDerWaalsContact O-O 3.05Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.35Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.88Å; T257-K267 WeakPolarHBondContact OG1-CD 3.39Å; T257-K267 PolarHBondContact OG1-NZ 2.96Å
268	W	98.4	Very high	96.1	Very high	24 Å²	24	44.1 Å²	44.1	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	157	168.1	57.6	-96.7	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.78Å; R226-W268 HydrophobicContact CG-CG 4.17Å; C227-W268 CarbonylContact O-C 3.44Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.46Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.76Å; W228-W268 HydrophobicContact CE3-CG 4.11Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.74Å; W228-W268 HydrophobicContact CH2-CG 4.36Å; W228-W268 HydrophobicContact CZ3-CB 4.35Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 HydrophobicContact CG-CH2 3.98Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 VanDerWaalsContact OE2-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.38Å; V255-W268 HydrophobicContact CG1-CD2 4.03Å; V255-W268 VanDerWaalsContact CG1-CE2 3.48Å; V255-W268 HydrophobicContact CG1-CE3 4.32Å; V255-W268 HydrophobicContact CG1-CH2 3.71Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.17Å; V255-W268 HydrophobicContact CG2-CD2 3.83Å; V255-W268 HydrophobicContact CG2-CG 3.78Å; V255-W268 WeakPolarHBondContact CG2-O 3.29Å; V255-W268 PolarHBondContact N-O 2.96Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.4	Very high	96	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.4	173.2	0	0	0	0	0	108.3	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.33Å; C227-A269 PolarHBondContact N-O 2.86Å; C227-A269 PolarHBondContact O-N 2.88Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 3.21Å; T252-A269 HydrophobicContact CG2-CB 3.94Å; E253-A269 CarbonylContact O-C 3.49Å; E253-A269 WeakPolarHBondContact O-CA 3.46Å; L254-A269 HydrophobicContact CD1-CB 3.7Å
270	A	98.1	Very high	95.9	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.4	178.1	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.87Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.44Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.08Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.33Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 2.88Å; E253-A270 PolarHBondContact O-N 2.74Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	98	Very high	96	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.6	176.5	62.8	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.34Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 3.01Å; L225-V271 PolarHBondContact O-N 3.08Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 4.04Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.72Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; V271-V273 HydrophobicContact CG1-CG1 3.84Å; V271-V273 HydrophobicContact CG2-CG1 4.48Å; V271-Y281 HydrophobicContact CG1-CD1 4.08Å; V271-Y281 HydrophobicContact CG1-CE1 4.49Å; V271-Y281 HydrophobicContact CG2-CD1 4.45Å; V271-Y281 HydrophobicContact CG2-CE1 4.11Å
272	V	97.6	Very high	96.2	Very high	76 Å²	76	39.2 Å²	39.2	46%	0.461	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.4	171.7	-177.5	0	0	0	0	108.1	E222	E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å
273	V	96.8	Very high	96.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.2	-175.6	-50.5	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.24Å; A223-V273 PolarHBondContact N-O 2.72Å; A223-V273 PolarHBondContact O-N 2.92Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.13Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; V271-V273 HydrophobicContact CG1-CG1 3.84Å; V271-V273 HydrophobicContact CG2-CG1 4.48Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE1 4.48Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.4	Very high	96.8	Very high	50 Å²	50	34.2 Å²	34.2	33%	0.325	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	140	170	-20.1	32.4	0	0	0	111.3	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.48Å; P274-G276 PolarHBondContact O-N 2.83Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.37Å; P274-E277 PolarHBondContact O-N 3.31Å
275	S	92.9	Very high	96.9	Very high	57 Å²	57	33.9 Å²	33.9	40%	0.399	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	128.6	177.7	-62.6	0	0	0	0	111.7	H221 E222 E278	H221-S275 PolarHBondContact O-N 2.84Å; H221-S275 PolarHBondContact O-OG 2.98Å; E222-S275 PolarHBondContact N-OG 2.89Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å
276	G	91.5	Very high	96.9	Very high	66 Å²	66	36.2 Å²	36.2	68%	0.68	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	-7.2	-174.3	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 2.83Å; G276-E278 WeakPolarHBondContact CA-OE2 3.23Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.17Å; G276-E278 PolarHBondContact N-OE2 3.43Å; G276-E278 VanDerWaalsContact N-OE2 3.09Å
277	E	95.4	Very high	96.7	Very high	61 Å²	61	34.3 Å²	34.3	29%	0.285	19%	0.189	S	C	.	.			trans	-97.8	1.4	175.3	-67.1	-159.4	-167.2	0	0	113.8	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.37Å; P274-E277 PolarHBondContact O-N 3.31Å; E277-Q279 PolarHBondContact O-N 3.23Å; E277-R280 VanDerWaalsContact CD-NH1 3.25Å; E277-R280 VanDerWaalsContact O-CB 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 2.91Å; E277-R280 IonicContact OE1-NH1 3.45Å; E277-R280 PolarHBondContact OE1-NH1 3.42Å; E277-R280 IonicContact OE2-CZ 2.63Å; E277-R280 IonicContact OE2-NE 3.68Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 2.89Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.09Å
278	E	95.1	Very high	96.4	Very high	19 Å²	19	36.9 Å²	36.9	9%	0.089	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-56.4	-31.3	-169.4	-55.2	80.6	-174.5	0	0	113.1	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å; G276-E278 WeakPolarHBondContact CA-OE2 3.23Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.17Å; G276-E278 PolarHBondContact N-OE2 3.43Å; G276-E278 VanDerWaalsContact N-OE2 3.09Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.12Å; E278-Y281 PolarHBondContact O-N 3.48Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.86Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å
279	Q	95.2	Very high	96	Very high	93 Å²	93	36.3 Å²	36.3	44%	0.435	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-73.3	-16.3	180	-61.8	-57.2	-45.2	0	0	114.3	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.23Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-R297 PolarHBondContact O-NE 2.91Å; Q279-W298 PolarHBondContact NE2-O 2.9Å
280	R	96.8	Very high	95.8	Very high	101 Å²	101	36.8 Å²	36.8	38%	0.381	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-74.3	-19.8	172	-61.5	174.3	69.6	179	6.5	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.47Å; R243-R280 HydrophobicContact CG-CB 4.19Å; D244-R280 PolarHBondContact N-O 2.88Å; D244-R280 IonicContact OD1-NE 2.65Å; D244-R280 PolarHBondContact OD1-NE 3.45Å; D244-R280 IonicContact OD2-CZ 3.54Å; D244-R280 IonicContact OD2-NE 3.15Å; D244-R280 PolarHBondContact OD2-NE 3.33Å; D244-R280 IonicContact OD2-NH2 3.86Å; D244-R280 PolarHBondContact OD2-NH2 3.21Å; E277-R280 VanDerWaalsContact CD-NH1 3.25Å; E277-R280 VanDerWaalsContact O-CB 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 2.91Å; E277-R280 IonicContact OE1-NH1 3.45Å; E277-R280 PolarHBondContact OE1-NH1 3.42Å; E277-R280 IonicContact OE2-CZ 2.63Å; E277-R280 IonicContact OE2-NE 3.68Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 2.89Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.12Å
281	Y	97.7	Very high	95.4	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.7	-177.2	-67.5	-100	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.29Å; R243-Y281 HydrophobicContact CB-CD1 4.04Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.23Å; R243-Y281 HydrophobicContact CG-CD1 4.38Å; R243-Y281 HydrophobicContact CG-CD2 4.38Å; R243-Y281 HydrophobicContact CG-CE1 4.05Å; R243-Y281 HydrophobicContact CG-CE2 4.03Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG1-CD1 4.08Å; V271-Y281 HydrophobicContact CG1-CE1 4.49Å; V271-Y281 HydrophobicContact CG2-CD1 4.45Å; V271-Y281 HydrophobicContact CG2-CE1 4.11Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE1 4.48Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.09Å; E278-Y281 PolarHBondContact O-N 3.48Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	98.1	Very high	95.2	Very high	9 Å²	9	49.7 Å²	49.7	6%	0.055	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.8	177.3	43.5	0	0	0	0	110.1	Q242 H284 T295 L296 R297	Q242-T282 PolarHBondContact N-O 3.06Å; Q242-T282 PolarHBondContact O-N 2.98Å; Q242-T282 PolarHBondContact O-OG1 3.19Å; T282-H284 WeakPolarHBondContact CB-NE2 3.47Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; T282-T295 HydrophobicContact CG2-CG2 3.87Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; T282-R297 HydrophobicContact CG2-CG 3.69Å
283	C	98.3	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.6	170	174.9	0	0	0	0	109.2	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.35Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.04Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.3Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.03Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 3.95Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.41Å; C283-L296 HydrophobicContact CB-CB 4.39Å; C283-L296 PolarHBondContact N-O 3.45Å; C283-L296 PolarHBondContact O-N 3.37Å
284	H	97.9	Very high	95	Very high	51 Å²	51	52 Å²	52	24%	0.236	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.5	175.7	-62	-98.6	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.32Å; T240-H284 PolarHBondContact N-O 3.17Å; T240-H284 PolarHBondContact O-N 2.99Å; Q242-H284 VanDerWaalsContact CB-NE2 3.26Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.47Å; Q242-H284 PolarHBondContact OE1-NE2 3.06Å; T282-H284 WeakPolarHBondContact CB-NE2 3.47Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.45Å; H284-T295 VanDerWaalsContact CE1-CG2 3.44Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.2Å; H284-T295 PolarHBondContact CE1-OG1 3.12Å; H284-T295 PolarHBondContact ND1-OG1 3.4Å
285	V	98	Very high	95.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.9	-176.6	-176.2	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CG1 4.06Å; T211-V285 HydrophobicContact CG2-CG2 3.98Å; I237-V285 HydrophobicContact CD1-CG1 4.06Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; T238-V285 WeakPolarHBondContact O-CA 3.5Å; L239-V285 HydrophobicContact CD1-CG1 4.01Å; L239-V285 HydrophobicContact CD1-CG2 4.37Å; L239-V285 HydrophobicContact CG-CG2 4.24Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; V285-P293 WeakPolarHBondContact O-CA 3.3Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.27Å; V285-L294 PolarHBondContact O-N 2.79Å; V285-L296 HydrophobicContact CG2-CD1 3.79Å
286	Q	97.1	Very high	95.3	Very high	77 Å²	77	52 Å²	52	36%	0.36	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.3	175.8	-55.4	177.1	16.8	0	0	108.9	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.46Å; T238-Q286 PolarHBondContact N-O 3.18Å; T238-Q286 PolarHBondContact O-N 2.99Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
287	H	95.3	Very high	95.5	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.014	28%	0.278	C	S	.	.			trans	-159.6	136.9	-174.9	-179.8	-98	0	0	0	109.5	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.36Å; W23-H287 WeakPolarHBondContact CZ3-O 3.33Å; E207-H287 PolarHBondContact O-CE1 2.94Å; P209-H287 HydrophobicContact CG-CB 4.03Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.7Å; Y233-H287 PolarHBondContact O-CE1 3.18Å; P234-H287 PolarHBondContact O-NE2 3.16Å; E236-H287 PolarHBondContact O-CD2 3.16Å; E236-H287 VanDerWaalsContact O-CD2 3.24Å; I237-H287 HydrophobicContact CD1-CB 4.11Å; I237-H287 HydrophobicContact CG1-CB 3.97Å; H287-G289 PolarHBondContact ND1-N 2.94Å; H287-G289 PolarHBondContact O-N 3.5Å; H287-L290 HydrophobicContact CB-CD1 4.03Å; H287-L290 HydrophobicContact CB-CG 4.27Å; H287-L290 WeakPolarHBondContact O-CB 3.31Å; H287-L290 PolarHBondContact O-N 3.14Å
288	E	91	Very high	95.5	Very high	76 Å²	76	55 Å²	55	36%	0.355	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-25.7	-174.5	-171.8	-177.1	167.8	0	0	115	W23 C25 P234	W23-E288 HydrophobicContact CE3-CG 4.42Å; W23-E288 VanDerWaalsContact CZ3-C 3.43Å; W23-E288 VanDerWaalsContact CZ3-CA 3.44Å; W23-E288 WeakPolarHBondContact CZ3-O 3.5Å; C25-E288 PolarHBondContact SG-OE1 3.44Å; P234-E288 HydrophobicContact CG-CB 4.46Å; P234-E288 WeakPolarHBondContact CG-OE2 3.4Å
289	G	90.6	Very high	95.3	Very high	12 Å²	12	61.9 Å²	61.9	12%	0.124	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-41.2	173	0	0	0	0	0	112.9	H208 H287	H208-G289 PolarHBondContact CE1-O 3.19Å; H208-G289 PolarHBondContact ND1-O 2.89Å; H287-G289 PolarHBondContact ND1-N 2.94Å; H287-G289 PolarHBondContact O-N 3.5Å
290	L	93.4	Very high	94.6	Very high	9 Å²	9	61.2 Å²	61.2	5%	0.047	31%	0.308	C	S	.	.			trans	-70.6	126.7	-166.3	-64.6	170.5	0	0	0	112.4	W23 H208 P209 V285 H287 E292 L294	W23-L290 HydrophobicContact CH2-CB 4.45Å; W23-L290 WeakPolarHBondContact CH2-O 3.37Å; W23-L290 WeakPolarHBondContact CZ3-O 3.13Å; H208-L290 HydrophobicContact CB-CD2 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.35Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; H287-L290 HydrophobicContact CB-CD1 4.03Å; H287-L290 HydrophobicContact CB-CG 4.27Å; H287-L290 WeakPolarHBondContact O-CB 3.31Å; H287-L290 PolarHBondContact O-N 3.14Å; L290-E292 WeakPolarHBondContact CB-O 3.49Å; L290-E292 PolarHBondContact O-N 3.39Å; L290-L294 HydrophobicContact CD1-CD1 4.04Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CG 3.9Å
291	P	91.3	Very high	93.1	Very high	125 Å²	125	61.3 Å²	61.3	81%	0.812	32%	0.324	S	S	*	.	S	Bend	trans	-64.8	-27.6	177.9	27.5	-35.2	0	0	0	113
292	E	92.3	Very high	90.8	Very high	152 Å²	152	66.4 Å²	66.4	71%	0.71	36%	0.361	S	S	*	.	S	Bend	trans	-143.2	149.7	173.1	-65.1	-176.1	176.1	0	0	109	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.49Å; L290-E292 PolarHBondContact O-N 3.39Å; E292-L294 PolarHBondContact O-N 2.89Å
293	P	95.1	Very high	88.3	Confident	61 Å²	61	73.7 Å²	73.7	40%	0.396	39%	0.394	S	S	.	.			trans	-53.8	135.2	173.7	-28.2	36.8	0	0	0	112.9	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.3Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.14Å
294	L	96.8	Very high	85.7	Confident	62 Å²	62	78.6 Å²	78.6	33%	0.325	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.8	176	-64.3	177.5	0	0	0	110.6	T211 H284 V285 L290 E292 L296	T211-L294 HydrophobicContact CG2-CD1 4.3Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.45Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.27Å; V285-L294 PolarHBondContact O-N 2.79Å; L290-L294 HydrophobicContact CD1-CD1 4.04Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CG 3.9Å; E292-L294 PolarHBondContact O-N 2.89Å; L294-L296 HydrophobicContact CB-CD1 4.19Å
295	T	97.6	Very high	83.4	Confident	78 Å²	78	82.6 Å²	82.6	48%	0.479	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.1	169	-56.1	0	0	0	0	109.3	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.87Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.41Å; H284-T295 VanDerWaalsContact CE1-CG2 3.44Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.2Å; H284-T295 PolarHBondContact CE1-OG1 3.12Å; H284-T295 PolarHBondContact ND1-OG1 3.4Å
296	L	97.1	Very high	81.3	Confident	29 Å²	29	87.4 Å²	87.4	15%	0.152	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.4	-179.9	-61.2	105.7	0	0	0	111.6	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.84Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; C283-L296 HydrophobicContact CB-CB 4.39Å; C283-L296 PolarHBondContact N-O 3.45Å; C283-L296 PolarHBondContact O-N 3.37Å; V285-L296 HydrophobicContact CG2-CD1 3.79Å; L294-L296 HydrophobicContact CB-CD1 4.19Å
297	R	96.1	Very high	79.3	Confident	145 Å²	145	87.8 Å²	87.8	55%	0.547	49%	0.488	S	S	.	.			trans	-114.8	165.5	163.5	-72.3	-172.3	171.3	128.2	4.5	109.7	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 2.91Å; T282-R297 HydrophobicContact CG2-CG 3.69Å; R297-E299 PolarHBondContact O-N 3.31Å
298	W	95.7	Very high	77.6	Confident	45 Å²	45	93.4 Å²	93.4	17%	0.17	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-72.2	122	164.7	170.7	56.9	0	0	0	110.2	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.8Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 HydrophobicContact CB-CG 4.1Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 VanDerWaalsContact CB-NE1 3.31Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact ND1-CZ2 3.95Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 4Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.86Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å; Q279-W298 PolarHBondContact NE2-O 2.9Å; W298-P300 HydrophobicContact CE3-CG 4.3Å; W298-P300 HydrophobicContact CH2-CB 4.18Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 3.96Å; W298-P300 HydrophobicContact CZ2-CG 3.96Å; W298-P300 HydrophobicContact CZ3-CG 3.99Å
299	E	89.4	Confident	76	Confident	165 Å²	165	95.6 Å²	95.6	77%	0.771	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-98.3	121.4	167.6	-67.5	-173.3	169.6	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 3.31Å; E299-S301 PolarHBondContact O-N 2.87Å
300	P	81.3	Confident	74.7	Confident	78 Å²	78	97.1 Å²	97.1	51%	0.506	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-58.8	127.4	170	-20.6	31.4	0	0	0	109.2	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.3Å; W298-P300 HydrophobicContact CH2-CB 4.18Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 3.96Å; W298-P300 HydrophobicContact CZ2-CG 3.96Å; W298-P300 HydrophobicContact CZ3-CG 3.99Å; P300-S302 PolarHBondContact O-N 3.21Å
301	S	65	Low	73.7	Confident	103 Å²	103	101.1 Å²	101.1	72%	0.72	57%	0.571	S	S	*	*			trans	-61	109.2	-173.2	66.3	0	0	0	0	110.9	E299 Q303	E299-S301 PolarHBondContact O-N 2.87Å; S301-Q303 PolarHBondContact O-N 3.4Å
302	S	48.8	Very low	72.8	Confident	114 Å²	114	99.4 Å²	99.4	80%	0.797	56%	0.558	S	S	*	*			trans	-76.5	57	171.8	51.8	0	0	0	0	110.3	P300 P304	P300-S302 PolarHBondContact O-N 3.21Å; S302-P304 WeakPolarHBondContact O-CD 3.24Å; S302-P304 VanDerWaalsContact O-N 3.1Å
303	Q	45.7	Very low	71.8	Confident	163 Å²	163	94.6 Å²	94.6	76%	0.762	55%	0.545	S	S	*	.			trans	-60.6	113.7	156.8	-78.2	-165.4	-12.2	0	0	106.1	S301 T305	S301-Q303 PolarHBondContact O-N 3.4Å; Q303-T305 PolarHBondContact O-N 3.33Å
304	P	43.5	Very low	71.1	Confident	102 Å²	102	93.4 Å²	93.4	66%	0.662	54%	0.544	S	S	*	.			trans	-62	118.5	166.9	27.4	-31.3	0	0	0	105.5	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.24Å; S302-P304 VanDerWaalsContact O-N 3.1Å; P304-I306 HydrophobicContact CB-CG1 4.32Å; P304-I306 HydrophobicContact CG-CG1 4.24Å; P304-I306 PolarHBondContact O-N 3.03Å
305	T	50.3	Low	70.5	Confident	136 Å²	136	95.7 Å²	95.7	83%	0.834	56%	0.556	S	S	*	*			trans	-67.2	75.4	163.1	-45.7	0	0	0	0	106.7	Q303 P307	Q303-T305 PolarHBondContact O-N 3.33Å; T305-P307 VanDerWaalsContact O-CD 3.28Å; T305-P307 WeakPolarHBondContact O-CD 3.43Å
306	I	53.4	Low	69.7	Low	101 Å²	101	94.6 Å²	94.6	52%	0.518	55%	0.554	S	S	.	*			trans	-51	118.5	169	-61.6	178.1	0	0	0	103.7	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.32Å; P304-I306 HydrophobicContact CG-CG1 4.24Å; P304-I306 PolarHBondContact O-N 3.03Å; I306-I308 PolarHBondContact O-N 3.18Å; I306-I311 HydrophobicContact CG2-CD1 3.83Å
307	P	55.2	Low	69	Low	85 Å²	85	97.3 Å²	97.3	55%	0.552	57%	0.572	S	S	*	*			trans	-75.3	79.8	-174.8	29.6	-33.7	0	0	0	107.6	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.28Å; T305-P307 WeakPolarHBondContact O-CD 3.43Å; P307-V309 PolarHBondContact O-N 3.18Å; P307-G310 WeakPolarHBondContact O-CA 3.45Å; P307-G310 PolarHBondContact O-N 3.38Å; P307-I311 PolarHBondContact O-N 3.39Å
308	I	59.6	Low	68.4	Low	120 Å²	120	95.8 Å²	95.8	62%	0.615	57%	0.574	S	S	*	*	H	α-helix	trans	-54.3	-37.5	176.7	-66.2	167.5	0	0	0	108.6	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.18Å; I308-G310 PolarHBondContact O-N 2.69Å; I308-I311 PolarHBondContact O-N 3.22Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.31Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.46Å; I308-V312 PolarHBondContact O-N 3.37Å
309	V	57.7	Low	67.9	Low	123 Å²	123	96.3 Å²	96.3	75%	0.745	59%	0.588	S	S	*	*	H	α-helix	trans	-56.9	-43.9	170.6	-178.1	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.18Å; V309-A313 WeakPolarHBondContact O-CB 3.36Å; V309-A313 PolarHBondContact O-N 2.84Å
310	G	63.5	Low	67.6	Low	43 Å²	43	92.6 Å²	92.6	44%	0.443	58%	0.576	S	S	.	*	H	α-helix	trans	-68.8	-39.3	178.3	0	0	0	0	0	113.2	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.45Å; P307-G310 PolarHBondContact O-N 3.38Å; I308-G310 PolarHBondContact O-N 2.69Å; G310-G314 PolarHBondContact O-N 2.8Å
311	I	71.6	Confident	67.8	Low	93 Å²	93	93.8 Å²	93.8	48%	0.477	58%	0.578	S	S	.	*	H	α-helix	trans	-67.4	-46	175.6	-62.2	173.8	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.83Å; P307-I311 PolarHBondContact O-N 3.39Å; I308-I311 PolarHBondContact O-N 3.22Å; I311-G314 PolarHBondContact O-N 3.13Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.16Å; I311-L315 PolarHBondContact O-N 2.91Å
312	V	72.4	Confident	68.6	Low	89 Å²	89	92 Å²	92	54%	0.539	57%	0.569	S	S	.	*	H	α-helix	trans	-63.9	-42.5	177.5	170.9	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.31Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.46Å; I308-V312 PolarHBondContact O-N 3.37Å; V312-L315 PolarHBondContact O-N 3.07Å; V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.16Å
313	A	72.3	Confident	70.2	Confident	52 Å²	52	91.1 Å²	91.1	43%	0.43	56%	0.559	S	S	.	*	H	α-helix	trans	-63.1	-44.1	174.7	0	0	0	0	0	112	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.36Å; V309-A313 PolarHBondContact O-N 2.84Å; A313-A316 PolarHBondContact O-N 3.03Å; A313-V317 WeakPolarHBondContact O-CG2 3.29Å; A313-V317 PolarHBondContact O-N 3.2Å
314	G	79.6	Confident	71.9	Confident	36 Å²	36	88.1 Å²	88.1	37%	0.371	55%	0.548	S	S	.	.	H	α-helix	trans	-61.3	-44	176.5	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.8Å; I311-G314 PolarHBondContact O-N 3.13Å; G314-V317 PolarHBondContact O-N 3.36Å; G314-L318 PolarHBondContact O-N 2.66Å
315	L	83.9	Confident	73.7	Confident	110 Å²	110	85.2 Å²	85.2	58%	0.576	54%	0.537	S	S	*	.	H	α-helix	trans	-65.7	-39.4	175.8	-71.8	172	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.16Å; I311-L315 PolarHBondContact O-N 2.91Å; V312-L315 PolarHBondContact O-N 3.07Å; L315-L318 PolarHBondContact O-N 3.05Å; L315-A319 WeakPolarHBondContact O-CB 3.43Å; L315-A319 PolarHBondContact O-N 2.93Å
316	A	80.8	Confident	75.1	Confident	54 Å²	54	81.5 Å²	81.5	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-43.4	175.4	0	0	0	0	0	112	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.16Å; A313-A316 PolarHBondContact O-N 3.03Å; A316-A319 PolarHBondContact O-N 2.85Å; A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 2.83Å
317	V	83.4	Confident	76.3	Confident	87 Å²	87	80.4 Å²	80.4	53%	0.527	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-44.4	175.6	171.4	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.29Å; A313-V317 PolarHBondContact O-N 3.2Å; G314-V317 PolarHBondContact O-N 3.36Å; V317-A319 PolarHBondContact O-N 2.9Å; V317-V320 PolarHBondContact O-N 2.85Å; V317-L321 HydrophobicContact CG1-CD1 3.96Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.44Å; V317-L321 PolarHBondContact O-N 2.9Å
318	L	83.8	Confident	77.3	Confident	112 Å²	112	82 Å²	82	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-60.9	-41.7	175.8	-81.1	165.7	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 2.66Å; L315-L318 PolarHBondContact O-N 3.05Å; L318-L321 PolarHBondContact O-N 3.15Å; L318-A322 WeakPolarHBondContact O-CB 3.42Å; L318-A322 PolarHBondContact O-N 3.35Å
319	A	84.1	Confident	77.9	Confident	56 Å²	56	78.8 Å²	78.8	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-43.9	176.3	0	0	0	0	0	112.1	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.43Å; L315-A319 PolarHBondContact O-N 2.93Å; A316-A319 PolarHBondContact O-N 2.85Å; V317-A319 PolarHBondContact O-N 2.9Å; A319-A322 PolarHBondContact O-N 3.24Å; A319-V323 WeakPolarHBondContact O-CG2 3.29Å; A319-V323 PolarHBondContact O-N 3.5Å
320	V	84.4	Confident	78.7	Confident	87 Å²	87	76.9 Å²	76.9	53%	0.527	50%	0.499	S	S	.	.	H	α-helix	trans	-62.5	-43.8	175.9	171	0	0	0	0	111.4	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 2.83Å; V317-V320 PolarHBondContact O-N 2.85Å; V320-A322 PolarHBondContact O-N 2.84Å; V320-V323 PolarHBondContact O-N 3.32Å; V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.35Å; V320-L324 PolarHBondContact O-N 3.21Å
321	L	84.6	Confident	79.2	Confident	103 Å²	103	78.4 Å²	78.4	54%	0.539	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-39.4	176.6	-71.2	172.5	0	0	0	112.4	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.96Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.44Å; V317-L321 PolarHBondContact O-N 2.9Å; L318-L321 PolarHBondContact O-N 3.15Å; L321-L324 PolarHBondContact O-N 3.07Å; L321-G325 PolarHBondContact O-N 3.35Å
322	A	82.4	Confident	79.2	Confident	66 Å²	66	80.2 Å²	80.2	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-42.2	175.6	0	0	0	0	0	112.1	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.42Å; L318-A322 PolarHBondContact O-N 3.35Å; A319-A322 PolarHBondContact O-N 3.24Å; V320-A322 PolarHBondContact O-N 2.84Å; A322-G325 PolarHBondContact O-N 2.74Å; A322-A326 WeakPolarHBondContact O-CB 3.31Å; A322-A326 PolarHBondContact O-N 3.03Å
323	V	82.1	Confident	78.7	Confident	95 Å²	95	80.1 Å²	80.1	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-63.9	-45.1	175.1	171.9	0	0	0	0	111.1	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.29Å; A319-V323 PolarHBondContact O-N 3.5Å; V320-V323 PolarHBondContact O-N 3.32Å; V323-G325 PolarHBondContact O-N 3.03Å; V323-A326 PolarHBondContact O-N 3.48Å; V323-V327 HydrophobicContact CG1-CG2 4.49Å; V323-V327 WeakPolarHBondContact O-CG2 3.04Å; V323-V327 PolarHBondContact O-N 3.11Å
324	L	81.3	Confident	78.2	Confident	100 Å²	100	86.6 Å²	86.6	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-61.5	-42.8	175.8	-73	168.7	0	0	0	111.9	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.35Å; V320-L324 PolarHBondContact O-N 3.21Å; L321-L324 PolarHBondContact O-N 3.07Å; L324-V327 PolarHBondContact O-N 2.95Å; L324-M328 WeakPolarHBondContact O-CB 3.29Å; L324-M328 VanDerWaalsContact O-CG 3.32Å; L324-M328 WeakPolarHBondContact O-CG 3.49Å; L324-M328 PolarHBondContact O-N 3.19Å
325	G	81	Confident	77.2	Confident	42 Å²	42	94.8 Å²	94.8	43%	0.433	54%	0.543	S	S	.	.	H	α-helix	trans	-60.4	-44.8	174.6	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.35Å; A322-G325 PolarHBondContact O-N 2.74Å; V323-G325 PolarHBondContact O-N 3.03Å; G325-M328 PolarHBondContact O-N 3.36Å; G325-A329 WeakPolarHBondContact O-CB 3.37Å; G325-A329 PolarHBondContact O-N 2.75Å
326	A	79.3	Confident	75.6	Confident	57 Å²	57	98.3 Å²	98.3	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-63.8	-42.9	176.2	0	0	0	0	0	112.3	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.31Å; A322-A326 PolarHBondContact O-N 3.03Å; V323-A326 PolarHBondContact O-N 3.48Å; A326-A329 PolarHBondContact O-N 3.18Å; A326-V330 WeakPolarHBondContact O-CG2 3.31Å; A326-V330 PolarHBondContact O-N 3.1Å
327	V	79.4	Confident	74.2	Confident	79 Å²	79	100.1 Å²	100.1	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-61.8	-45.6	175.4	170.3	0	0	0	0	110.9	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.49Å; V323-V327 WeakPolarHBondContact O-CG2 3.04Å; V323-V327 PolarHBondContact O-N 3.11Å; L324-V327 PolarHBondContact O-N 2.95Å; V327-A329 PolarHBondContact O-N 3.32Å; V327-V330 PolarHBondContact O-N 3.05Å; V327-V331 HydrophobicContact CG1-CG2 4.4Å; V327-V331 WeakPolarHBondContact O-CB 3.48Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.23Å; V327-V331 PolarHBondContact O-N 3.48Å
328	M	75.4	Confident	72.5	Confident	117 Å²	117	100.8 Å²	100.8	58%	0.576	57%	0.571	S	S	*	*	H	α-helix	trans	-62.8	-41.2	177.1	-72.3	-63.4	-71.3	0	0	112.2	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.29Å; L324-M328 VanDerWaalsContact O-CG 3.32Å; L324-M328 WeakPolarHBondContact O-CG 3.49Å; L324-M328 PolarHBondContact O-N 3.19Å; G325-M328 PolarHBondContact O-N 3.36Å; M328-V331 PolarHBondContact O-N 3.46Å; M328-M332 WeakPolarHBondContact O-CB 3.27Å; M328-M332 WeakPolarHBondContact O-CG 3.29Å; M328-M332 PolarHBondContact O-N 3.47Å
329	A	73.8	Confident	70.7	Confident	54 Å²	54	98.6 Å²	98.6	45%	0.446	58%	0.576	S	S	.	*	H	α-helix	trans	-62	-45.1	174.4	0	0	0	0	0	112	G325 A326 V327 V331 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.37Å; G325-A329 PolarHBondContact O-N 2.75Å; A326-A329 PolarHBondContact O-N 3.18Å; V327-A329 PolarHBondContact O-N 3.32Å; A329-V331 PolarHBondContact O-N 3.13Å; A329-M332 PolarHBondContact O-N 2.95Å; A329-C333 WeakPolarHBondContact O-CB 3.45Å; A329-C333 PolarHBondContact O-N 3.36Å; A329-C333 PolarHBondContact O-SG 2.96Å; A329-C333 VanDerWaalsContact O-SG 3.4Å
330	V	74.1	Confident	68.4	Low	82 Å²	82	100 Å²	100	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-63.5	-41.1	176.2	169.6	0	0	0	0	111.6	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.31Å; A326-V330 PolarHBondContact O-N 3.1Å; V327-V330 PolarHBondContact O-N 3.05Å; V330-C333 PolarHBondContact O-N 3.37Å; V330-R334 WeakPolarHBondContact O-CB 3.45Å; V330-R334 PolarHBondContact O-N 3.18Å
331	V	73.7	Confident	66	Low	75 Å²	75	106 Å²	106	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-65	-42.3	176	169.8	0	0	0	0	111.1	V327 M328 A329 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.4Å; V327-V331 WeakPolarHBondContact O-CB 3.48Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.23Å; V327-V331 PolarHBondContact O-N 3.48Å; M328-V331 PolarHBondContact O-N 3.46Å; A329-V331 PolarHBondContact O-N 3.13Å; V331-R334 PolarHBondContact O-N 2.98Å; V331-R335 WeakPolarHBondContact O-CB 3.4Å; V331-R335 PolarHBondContact O-N 2.71Å
332	M	71.9	Confident	63.5	Low	132 Å²	132	105 Å²	105	65%	0.65	63%	0.629	S	S	*	*	H	α-helix	trans	-65.4	-42.2	175	-74	-175	70.2	0	0	112.3	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.27Å; M328-M332 WeakPolarHBondContact O-CG 3.29Å; M328-M332 PolarHBondContact O-N 3.47Å; A329-M332 PolarHBondContact O-N 2.95Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.48Å; M332-R335 PolarHBondContact O-N 2.76Å; M332-K336 WeakPolarHBondContact O-CB 3.27Å; M332-K336 PolarHBondContact O-N 2.97Å
333	C	62.3	Low	61.1	Low	87 Å²	87	105.7 Å²	105.7	59%	0.588	64%	0.643	S	S	*	*	H	α-helix	trans	-61.5	-39.4	173.5	-76.3	0	0	0	0	112.2	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.45Å; A329-C333 PolarHBondContact O-N 3.36Å; A329-C333 PolarHBondContact O-SG 2.96Å; A329-C333 VanDerWaalsContact O-SG 3.4Å; V330-C333 PolarHBondContact O-N 3.37Å; C333-K336 PolarHBondContact O-N 3.03Å; C333-S337 WeakPolarHBondContact O-CB 3.3Å; C333-S337 PolarHBondContact O-N 3.39Å; C333-S337 PolarHBondContact O-OG 3.32Å
334	R	60.8	Low	58.7	Low	188 Å²	188	107.2 Å²	107.2	71%	0.709	66%	0.658	S	S	*	*	H	α-helix	trans	-67.2	-39.5	173.1	-80.9	-175.4	155.6	169.4	-4.9	112.9	V330 V331 M332 K336 S337 S338	V330-R334 WeakPolarHBondContact O-CB 3.45Å; V330-R334 PolarHBondContact O-N 3.18Å; V331-R334 PolarHBondContact O-N 2.98Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.48Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-K336 PolarHBondContact O-N 3.14Å; R334-S337 WeakPolarHBondContact CA-OG 3.12Å; R334-S337 PolarHBondContact O-N 3.04Å; R334-S337 PolarHBondContact O-OG 3.43Å; R334-S338 PolarHBondContact O-N 3.21Å
335	R	57.5	Low	56.5	Low	207 Å²	207	108.4 Å²	108.4	78%	0.781	67%	0.673	S	S	*	*	H	α-helix	trans	-66.9	-29.2	174.1	-123.5	177.1	178.1	176.2	-1.3	113.1	V331 M332 S338	V331-R335 WeakPolarHBondContact O-CB 3.4Å; V331-R335 PolarHBondContact O-N 2.71Å; M332-R335 PolarHBondContact O-N 2.76Å; R335-S338 PolarHBondContact O-OG 3.16Å
336	K	50.8	Low	54.2	Low	184 Å²	184	112.5 Å²	112.5	80%	0.8	70%	0.695	S	S	*	*	H	α-helix	trans	-85.8	-15.8	177.8	-163.9	170.8	-178.6	179.5	0	113.7	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.27Å; M332-K336 PolarHBondContact O-N 2.97Å; C333-K336 PolarHBondContact O-N 3.03Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-K336 PolarHBondContact O-N 3.14Å
337	S	51.8	Low	52	Low	93 Å²	93	119.2 Å²	119.2	65%	0.65	72%	0.716	S	S	*	*	H	α-helix	trans	-97.9	-2.7	177.2	44.3	0	0	0	0	114.3	C333 R334 G339	C333-S337 WeakPolarHBondContact O-CB 3.3Å; C333-S337 PolarHBondContact O-N 3.39Å; C333-S337 PolarHBondContact O-OG 3.32Å; R334-S337 WeakPolarHBondContact CA-OG 3.12Å; R334-S337 PolarHBondContact O-N 3.04Å; R334-S337 PolarHBondContact O-OG 3.43Å; S337-G339 VanDerWaalsContact C-N 3.32Å; S337-G339 PolarHBondContact O-N 2.86Å
338	S	48.5	Very low	49.9	Very low	100 Å²	100	120.1 Å²	120.1	70%	0.699	73%	0.732	S	S	*	*	S	Bend	trans	-90.4	22.9	173.6	66.7	0	0	0	0	114.2	R334 R335	R334-S338 PolarHBondContact O-N 3.21Å; R335-S338 PolarHBondContact O-OG 3.16Å
339	G	44.7	Very low	47.8	Very low	67 Å²	67	119.6 Å²	119.6	69%	0.691	75%	0.747	S	S	*	*	S	Bend	trans	-160.8	103.9	179.6	0	0	0	0	0	113.8	S337	S337-G339 VanDerWaalsContact C-N 3.32Å; S337-G339 PolarHBondContact O-N 2.86Å
340	G	36.3	Very low	45.9	Very low	84 Å²	84	122.4 Å²	122.4	87%	0.866	76%	0.763	S	S	*	*			trans	130.4	120.2	171.6	0	0	0	0	0	113.6
341	K	33.9	Very low	44	Very low	215 Å²	215	124.1 Å²	124.1	94%	0.935	78%	0.779	S	S	*	*			trans	-138.6	135.5	-178	-173.4	172.9	-177	175.8	0	111
342	G	32.2	Very low	42.2	Very low	82 Å²	82	128.4 Å²	128.4	85%	0.845	80%	0.799	S	S	*	*			trans	86.7	141.3	-178.8	0	0	0	0	0	112.9
343	G	31.2	Very low	40.8	Very low	80 Å²	80	128.2 Å²	128.2	83%	0.825	81%	0.81	S	S	*	*			cis	-154.8	-167.1	-8.6	0	0	0	0	0	108.2
344	S	32.7	Very low	39.6	Very low	127 Å²	127	128.6 Å²	128.6	89%	0.888	82%	0.82	S	S	*	*			cis	-157.5	-173.8	-2.3	-164.5	0	0	0	0	108.9
345	C	35.1	Very low	38.5	Very low	125 Å²	125	129.3 Å²	129.3	85%	0.845	83%	0.831	S	S	*	*			trans	-78.1	141	175.6	-69.8	0	0	0	0	113.9
346	S	33.3	Very low	37.3	Very low	127 Å²	127	122.9 Å²	122.9	89%	0.888	83%	0.829	S	S	*	*			trans	-156.6	156.9	140	49.9	0	0	0	0	113.1
347	Q	33.4	Very low	36.8	Very low	198 Å²	198	120 Å²	120	93%	0.925	83%	0.832	S	S	*	*			trans	-82	168.5	-157	-153.8	162.6	-17.3	0	0	114.6
348	A	34.9	Very low	36.1	Very low	99 Å²	99	123 Å²	123	82%	0.818	84%	0.841	S	S	*	*			trans	-73.3	154.9	-178.9	0	0	0	0	0	114.8
349	A	31.6	Very low	35.4	Very low	106 Å²	106	126.6 Å²	126.6	88%	0.876	85%	0.847	S	S	*	*			trans	-151.6	146.6	151.4	0	0	0	0	0	111.3
350	S	33.8	Very low	34.9	Very low	113 Å²	113	128.1 Å²	128.1	79%	0.79	85%	0.847	S	S	*	*			trans	-88.5	155	-179.1	53.4	0	0	0	0	113.5
351	S	34.3	Very low	34.8	Very low	118 Å²	118	132.5 Å²	132.5	83%	0.825	85%	0.85	S	S	*	*			trans	-169.1	146	131.6	47.9	0	0	0	0	112.9
352	N	35.9	Very low	35	Very low	165 Å²	165	129.6 Å²	129.6	88%	0.882	84%	0.843	S	S	*	*			trans	-78.2	156.5	176	-58.7	-38.9	0	0	0	112.2
353	S	41.4	Very low	35.1	Very low	127 Å²	127	130.2 Å²	130.2	89%	0.888	84%	0.84	S	S	*	*			trans	-147.8	142	138.2	51.2	0	0	0	0	109.7
354	A	36.7	Very low	35.2	Very low	95 Å²	95	132.4 Å²	132.4	79%	0.785	84%	0.841	S	S	*	*			trans	-122.8	142.5	-176.2	0	0	0	0	0	109.9
355	Q	39.5	Very low	35.3	Very low	203 Å²	203	136.4 Å²	136.4	95%	0.949	84%	0.843	S	S	*	*			trans	-163.3	135.3	142	-115.1	163.8	-19.9	0	0	108.9
356	G	31.3	Very low	35.4	Very low	72 Å²	72	139 Å²	139	74%	0.742	87%	0.873	S	S	*	*			trans	-107.1	177.9	-179.2	0	0	0	0	0	112.3
357	S	39.9	Very low	35.5	Very low	123 Å²	123	139.6 Å²	139.6	86%	0.86	87%	0.872	S	S	*	*			trans	-145.8	136.7	158.9	-61.8	0	0	0	0	108
358	D	37.4	Very low	35.6	Very low	157 Å²	157	136.5 Å²	136.5	84%	0.84	87%	0.869	S	S	*	*			trans	-72.5	-179.2	177.5	-53.7	-75.6	0	0	0	111.4
359	E	34.4	Very low	35.6	Very low	175 Å²	175	138.6 Å²	138.6	82%	0.818	87%	0.872	S	S	*	*			cis	-161.7	160.3	18.3	-156.1	179	169.3	0	0	113.2
360	S	34.8	Very low	35.9	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	87%	0.872	S	S	*	*			trans	69.9	98.3	152.7	69.4	0	0	0	0	120.5
361	L	33.6	Very low	36	Very low	177 Å²	177	142.3 Å²	142.3	93%	0.927	88%	0.877	S	S	*	*			trans	-97.2	129.9	141.3	-91.5	162.1	0	0	0	107.9
362	I	38.8	Very low	36.1	Very low	153 Å²	153	143.9 Å²	143.9	79%	0.785	88%	0.881	S	S	*	*			trans	-105.5	117.3	160.8	-66	-179	0	0	0	108.1
363	A	33.3	Very low	36.1	Very low	96 Å²	96	142.4 Å²	142.4	79%	0.793	88%	0.88	S	S	*	*			trans	-109.5	126.8	164.4	0	0	0	0	0	108.3
364	C	33.4	Very low	35.7	Very low	126 Å²	126	143.5 Å²	143.5	85%	0.851	88%	0.88	S	S	*	*			trans	-106.3	132.6	164.2	-79.6	0	0	0	0	109
365	K	35.3	Very low	35.6	Very low	211 Å²	211	147.6 Å²	147.6	92%	0.917	89%	0.888	S	S	*	*			trans	-144.7	103.8	175.5	-170.9	-174.1	-173.6	-176.2	0	109.3
366	A	35.9	Very low	35.3	Very low	179 Å²	179	142.5 Å²	142.5	100%	1.479	88%	0.882	S	S	*	*			trans	-163.5	0	157.3	0	0	0	0	0	106.6

Retrieved 366 of 366 residues in 1643.4 ms (Link to these results)

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