A0A024F8H3_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A024F8H3, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	41.6	Very low	242 Å²	242	140.3 Å²	140.3	100%	1.192	72%	0.721	S	S	*	*				0	102.9	0	-72.3	166.4	-179.2	0	0	108
2	R	34.3	Very low	41.9	Very low	242 Å²	242	139.7 Å²	139.7	91%	0.913	72%	0.719	S	S	*	*			trans	-102.7	105.1	169.2	-93.4	-177.8	174.5	168	-1.8	106.2	T4	R2-T4 PolarHBondContact O-N 3.34Å
3	V	37	Very low	41.7	Very low	141 Å²	141	136.4 Å²	136.4	86%	0.855	70%	0.703	S	S	*	*			trans	-75.8	101.8	171.2	178.9	0	0	0	0	106.3	A5	V3-A5 PolarHBondContact O-N 3.2Å
4	T	42.3	Very low	41.1	Very low	128 Å²	128	140.4 Å²	140.4	79%	0.785	71%	0.705	S	S	*	*			trans	-73.3	108.9	167	38.3	0	0	0	0	108	R2	R2-T4 PolarHBondContact O-N 3.34Å
5	A	41.6	Very low	41.1	Very low	66 Å²	66	133.3 Å²	133.3	55%	0.545	68%	0.682	S	S	.	*			trans	-58.6	142.1	167.9	0	0	0	0	0	109.7	V3 R7	V3-A5 PolarHBondContact O-N 3.2Å; A5-R7 PolarHBondContact O-N 2.98Å
6	P	45.3	Very low	41.1	Very low	76 Å²	76	127.7 Å²	127.7	49%	0.494	66%	0.661	S	S	.	*			trans	-67.2	127	-177.3	25.3	-29	0	0	0	109.8	T8 L9	P6-T8 PolarHBondContact O-N 3.33Å; P6-L9 HydrophobicContact CG-CB 4.37Å; P6-L9 PolarHBondContact O-N 3.01Å
7	R	45.4	Very low	41.2	Very low	225 Å²	225	124.7 Å²	124.7	85%	0.849	65%	0.65	S	S	*	*	H	α-helix	trans	-51.8	-22.7	-178.6	-92.1	177.5	154	123	-6	114.3	A5 L11	A5-R7 PolarHBondContact O-N 2.98Å; R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 2.63Å
8	T	47.8	Very low	41	Very low	96 Å²	96	120.7 Å²	120.7	59%	0.589	64%	0.638	S	S	*	*	H	α-helix	trans	-72.2	-36.1	177.3	38.3	0	0	0	0	113.4	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.33Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L11 PolarHBondContact O-N 3.18Å; T8-L12 PolarHBondContact O-N 2.83Å
9	L	42.8	Very low	40.9	Very low	106 Å²	106	119.5 Å²	119.5	56%	0.555	63%	0.631	S	S	*	*	H	α-helix	trans	-70.2	-34.3	177.8	-133.3	112.3	0	0	0	111.4	P6 L13	P6-L9 HydrophobicContact CG-CB 4.37Å; P6-L9 PolarHBondContact O-N 3.01Å; L9-L13 HydrophobicContact CD2-CD1 4.26Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.41Å
10	L	40.7	Very low	40.9	Very low	95 Å²	95	117.3 Å²	117.3	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-65.8	-38	175.6	-122.9	92.5	0	0	0	111.9	T8 W14	T8-L10 VanDerWaalsContact C-N 3.33Å; L10-W14 WeakPolarHBondContact O-CB 3.1Å; L10-W14 PolarHBondContact O-N 2.87Å
11	L	46.8	Very low	40.8	Very low	126 Å²	126	119.2 Å²	119.2	66%	0.66	63%	0.628	S	S	*	*	H	α-helix	trans	-71.9	-37.4	-179.4	-72.7	165.9	0	0	0	112.7	R7 T8 W14 G15	R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 2.63Å; T8-L11 PolarHBondContact O-N 3.18Å; L11-W14 PolarHBondContact O-N 3.01Å; L11-G15 PolarHBondContact O-N 3.41Å
12	L	45	Very low	41.3	Very low	133 Å²	133	112 Å²	112	70%	0.696	60%	0.598	S	S	*	*	H	α-helix	trans	-68.4	-39.8	175.4	-72.1	168.3	0	0	0	112.1	T8 W14 G15 A16	T8-L12 PolarHBondContact O-N 2.83Å; L12-W14 VanDerWaalsContact C-N 3.34Å; L12-G15 PolarHBondContact O-N 2.83Å; L12-A16 PolarHBondContact O-N 3.28Å
13	L	39.3	Very low	42	Very low	97 Å²	97	105.3 Å²	105.3	51%	0.508	57%	0.573	S	S	.	*	H	α-helix	trans	-65.2	-36.5	173.5	-78.8	161.6	0	0	0	111.9	L9 V17	L9-L13 HydrophobicContact CD2-CD1 4.26Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.41Å; L13-V17 VanDerWaalsContact O-CB 3.31Å; L13-V17 WeakPolarHBondContact O-CB 3.48Å; L13-V17 WeakPolarHBondContact O-CG2 3.32Å; L13-V17 PolarHBondContact O-N 2.66Å
14	W	33.3	Very low	43.1	Very low	192 Å²	192	101.5 Å²	101.5	73%	0.727	56%	0.556	S	S	*	*	H	α-helix	trans	-72.2	-34.2	175.5	-78.5	45	0	0	0	112.5	L10 L11 L12 A18	L10-W14 WeakPolarHBondContact O-CB 3.1Å; L10-W14 PolarHBondContact O-N 2.87Å; L11-W14 PolarHBondContact O-N 3.01Å; L12-W14 VanDerWaalsContact C-N 3.34Å; W14-A18 WeakPolarHBondContact O-CB 3.36Å; W14-A18 PolarHBondContact O-N 3Å
15	G	40.5	Very low	44.9	Very low	35 Å²	35	96.5 Å²	96.5	36%	0.361	53%	0.529	S	S	.	.	H	α-helix	trans	-64.9	-43.8	172.3	0	0	0	0	0	112.7	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.41Å; L12-G15 PolarHBondContact O-N 2.83Å; G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 PolarHBondContact O-N 3.06Å; G15-L19 VanDerWaalsContact O-N 3.07Å
16	A	42.2	Very low	47.4	Very low	43 Å²	43	95.5 Å²	95.5	36%	0.355	52%	0.518	S	S	.	.	H	α-helix	trans	-69.2	-39.9	176.9	0	0	0	0	0	112.7	L12 L19 T20	L12-A16 PolarHBondContact O-N 3.28Å; A16-L19 PolarHBondContact O-N 2.9Å; A16-T20 WeakPolarHBondContact O-CG2 3.45Å; A16-T20 PolarHBondContact O-N 3.38Å; A16-T20 VanDerWaalsContact O-N 3.15Å
17	V	41.8	Very low	49.9	Very low	77 Å²	77	93.2 Å²	93.2	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-70	-38.8	176.5	173.2	0	0	0	0	111.5	L13 L19 T20 E21	L13-V17 VanDerWaalsContact O-CB 3.31Å; L13-V17 WeakPolarHBondContact O-CB 3.48Å; L13-V17 WeakPolarHBondContact O-CG2 3.32Å; L13-V17 PolarHBondContact O-N 2.66Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.31Å; V17-T20 WeakPolarHBondContact CA-OG1 3.46Å; V17-T20 PolarHBondContact O-N 3.38Å; V17-T20 VanDerWaalsContact O-N 3.08Å; V17-T20 PolarHBondContact O-OG1 3.5Å; V17-E21 PolarHBondContact O-N 2.8Å
18	A	37.3	Very low	52.4	Low	52 Å²	52	83.7 Å²	83.7	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-39.1	174.7	0	0	0	0	0	111.8	W14 T20 E21 T22	W14-A18 WeakPolarHBondContact O-CB 3.36Å; W14-A18 PolarHBondContact O-N 3Å; A18-T20 VanDerWaalsContact C-N 3.29Å; A18-T20 PolarHBondContact O-N 2.99Å; A18-E21 PolarHBondContact O-N 3.18Å; A18-T22 WeakPolarHBondContact O-CG2 3.5Å; A18-T22 PolarHBondContact O-N 3.2Å; A18-T22 PolarHBondContact O-OG1 3.02Å
19	L	39.4	Very low	54.8	Low	99 Å²	99	79.1 Å²	79.1	52%	0.518	44%	0.441	S	S	.	.	H	α-helix	trans	-67.3	-24.5	172.2	-101.9	115.9	0	0	0	113.3	G15 A16 V17 W23	G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 PolarHBondContact O-N 3.06Å; G15-L19 VanDerWaalsContact O-N 3.07Å; A16-L19 PolarHBondContact O-N 2.9Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.31Å; L19-W23 PolarHBondContact O-NE1 3.03Å
20	T	40.4	Very low	57.5	Low	75 Å²	75	76.7 Å²	76.7	46%	0.46	42%	0.424	S	S	.	.	H	α-helix	trans	-81.3	-32.1	173.9	53.7	0	0	0	0	113.1	A16 V17 A18	A16-T20 WeakPolarHBondContact O-CG2 3.45Å; A16-T20 PolarHBondContact O-N 3.38Å; A16-T20 VanDerWaalsContact O-N 3.15Å; V17-T20 WeakPolarHBondContact CA-OG1 3.46Å; V17-T20 PolarHBondContact O-N 3.38Å; V17-T20 VanDerWaalsContact O-N 3.08Å; V17-T20 PolarHBondContact O-OG1 3.5Å; A18-T20 VanDerWaalsContact C-N 3.29Å; A18-T20 PolarHBondContact O-N 2.99Å
21	E	39.4	Very low	60.2	Low	158 Å²	158	72.5 Å²	72.5	74%	0.738	40%	0.402	S	S	*	.	H	α-helix	trans	-78.2	-26.8	179.6	-85.9	-173	156.1	0	0	113.4	V17 A18 W23	V17-E21 PolarHBondContact O-N 2.8Å; A18-E21 PolarHBondContact O-N 3.18Å; E21-W23 PolarHBondContact O-N 3.01Å
22	T	44.7	Very low	62.7	Low	89 Å²	89	70.5 Å²	70.5	55%	0.546	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.3	-177.4	54	0	0	0	0	114.7	A18	A18-T22 WeakPolarHBondContact O-CG2 3.5Å; A18-T22 PolarHBondContact O-N 3.2Å; A18-T22 PolarHBondContact O-OG1 3.02Å
23	W	49.9	Very low	65.3	Low	103 Å²	103	64.6 Å²	64.6	39%	0.39	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-31.5	-170.2	-69.8	66.8	0	0	0	113.7	L19 E21 G25 S26 E236	L19-W23 PolarHBondContact O-NE1 3.03Å; E21-W23 PolarHBondContact O-N 3.01Å; W23-G25 PolarHBondContact O-N 2.86Å; W23-S26 PolarHBondContact O-N 2.85Å; W23-E236 HydrophobicContact CE3-CB 4Å; W23-E236 HydrophobicContact CE3-CG 3.82Å; W23-E236 HydrophobicContact CH2-CB 3.96Å; W23-E236 HydrophobicContact CH2-CG 3.26Å; W23-E236 WeakPolarHBondContact CH2-OE2 3.43Å; W23-E236 HydrophobicContact CZ2-CG 4.02Å; W23-E236 HydrophobicContact CZ3-CB 3.37Å; W23-E236 HydrophobicContact CZ3-CG 3.16Å
24	A	59.8	Low	68.1	Low	60 Å²	60	61.8 Å²	61.8	50%	0.496	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	109.1	-176.8	0	0	0	0	0	111.3	P129	A24-P129 WeakPolarHBondContact O-CG 3.4Å
25	G	80.4	Confident	71.2	Confident	23 Å²	23	52.7 Å²	52.7	24%	0.237	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	13.9	172	0	0	0	0	0	116.8	W23 P129 E288	W23-G25 PolarHBondContact O-N 2.86Å; G25-P129 VanDerWaalsContact O-CA 3.26Å; G25-P129 WeakPolarHBondContact O-CA 3.31Å; G25-E288 PolarHBondContact N-OE1 2.86Å
26	S	93.2	Very high	74	Confident	45 Å²	45	54 Å²	54	32%	0.315	31%	0.307	S	S	.	.			trans	-84.1	145	164.9	-64.3	0	0	0	0	110	W23 V127	W23-S26 PolarHBondContact O-N 2.85Å; S26-V127 WeakPolarHBondContact CA-O 3.2Å
27	H	97.2	Very high	76.6	Confident	29 Å²	29	52.9 Å²	52.9	13%	0.134	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	158	-177.9	-67.3	-76.6	0	0	0	111.6	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.23Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 3.52Å; H27-D53 IonicContact ND1-OD1 3.91Å; H27-D53 IonicContact ND1-OD2 3.92Å; H27-D53 PolarHBondContact ND1-OD2 3.15Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.05Å; H27-V127 HydrophobicContact CB-CG2 4.02Å; H27-V127 PolarHBondContact N-O 3.47Å; H27-V127 PolarHBondContact O-N 3.44Å; H27-L192 HydrophobicContact CB-CD1 4.46Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å
28	S	98.2	Very high	79.2	Confident	24 Å²	24	52.8 Å²	52.8	17%	0.168	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.5	178.9	65.3	0	0	0	0	112.1	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; S28-D53 PolarHBondContact N-OD1 3.32Å; S28-D53 PolarHBondContact O-N 2.95Å; S28-D53 PolarHBondContact OG-OD1 3.08Å; S28-C125 WeakPolarHBondContact CA-O 3.38Å; S28-D126 WeakPolarHBondContact CB-OD1 3.36Å
29	M	98.7	Very high	81.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.4	166.4	-173.8	173.1	61.8	0	0	108.7	Y31 Y51 V52 F57 G124 C125 C188 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.16Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 WeakPolarHBondContact CA-O 3.32Å; M29-V52 HydrophobicContact CG-CG2 4.29Å; M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; M29-G124 CarbonylContact O-C 3.49Å; M29-G124 WeakPolarHBondContact O-CA 3.44Å; M29-C125 PolarHBondContact N-O 3Å; M29-C125 PolarHBondContact O-N 2.82Å; M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 VanDerWaalsContact CE-O 3.26Å; M29-C188 WeakPolarHBondContact CE-O 3.35Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.14Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å
30	R	98.7	Very high	84.3	Confident	55 Å²	55	52.4 Å²	52.4	21%	0.208	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.7	-176.2	-57.1	-63.4	-176.3	75.2	3.5	111	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.63Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.44Å; R30-Y51 PolarHBondContact N-O 2.84Å; R30-Y51 PolarHBondContact O-N 2.83Å; R30-D126 IonicContact CZ-OD1 2.99Å; R30-D126 IonicContact NE-OD1 3.38Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 2.99Å; R30-D126 PolarHBondContact NH2-OD1 2.91Å; R30-D126 IonicContact NH2-OD2 3.61Å; R30-D126 PolarHBondContact NH2-OD2 3.3Å; R30-H137 PolarHBondContact NH2-NE2 3.44Å; R30-H137 VanDerWaalsContact NH2-NE2 3.15Å
31	Y	98.8	Very high	86.9	Confident	7 Å²	7	58.8 Å²	58.8	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.5	169.7	-71.4	-87.8	0	0	0	109.9	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.16Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-Y33 HydrophobicContact CD1-CE1 4.46Å; Y31-Y33 HydrophobicContact CG-CE1 4.5Å; Y31-V49 WeakPolarHBondContact CA-O 3.49Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.39Å; Y31-V58 HydrophobicContact CE1-CG2 3.93Å; Y31-M122 WeakPolarHBondContact O-CA 3.29Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.48Å; Y31-Y123 AromaticContact CD2-CE2 3.7Å; Y31-Y123 HydrophobicContact CD2-CE2 3.7Å; Y31-Y123 AromaticContact CD2-CZ 3.75Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.18Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 3.44Å; Y31-Y123 PolarHBondContact O-N 2.95Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.9	Very high	89.4	Confident	84 Å²	84	54 Å²	54	37%	0.368	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.3	178.4	-58.1	-94.8	0	0	0	109.1	R30 T48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.63Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-T48 VanDerWaalsContact O-CA 3.26Å; F32-T48 WeakPolarHBondContact O-CA 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.9Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.83Å; F32-V49 PolarHBondContact O-N 2.79Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; F32-S121 WeakPolarHBondContact CA-O 3.31Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.1Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CG-CG 4.49Å; F32-M122 HydrophobicContact CZ-CG 3.97Å
33	Y	98.8	Very high	91.8	Very high	10 Å²	10	53.8 Å²	53.8	4%	0.039	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.4	179.2	-61.5	0.8	0	0	0	108.7	Y31 F46 I47 T48 N94 Y98 Q120 S121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.46Å; Y31-Y33 HydrophobicContact CG-CE1 4.5Å; Y33-F46 HydrophobicContact CD2-CE2 4.22Å; Y33-F46 AromaticContact CD2-CZ 3.85Å; Y33-F46 HydrophobicContact CD2-CZ 3.85Å; Y33-F46 HydrophobicContact CE2-CZ 4.35Å; Y33-F46 HydrophobicContact CG-CE2 4.27Å; Y33-F46 AromaticContact CG-CZ 3.94Å; Y33-F46 HydrophobicContact CG-CZ 3.94Å; Y33-I47 WeakPolarHBondContact CA-O 3.1Å; Y33-T48 HydrophobicContact CD1-CG2 4.5Å; Y33-T48 WeakPolarHBondContact CD1-OG1 3.42Å; Y33-T48 HydrophobicContact CE1-CG2 4.42Å; Y33-T48 WeakPolarHBondContact CE1-OG1 3.31Å; Y33-N94 HydrophobicContact CE2-CB 4.37Å; Y33-N94 VanDerWaalsContact CE2-ND2 3.26Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.4Å; Y33-N94 PolarHBondContact OH-ND2 3Å; Y33-Y98 AromaticContact CD2-CE2 3.76Å; Y33-Y98 HydrophobicContact CD2-CE2 3.76Å; Y33-Y98 AromaticContact CD2-CZ 3.77Å; Y33-Y98 HydrophobicContact CE2-CE2 4.49Å; Y33-Q120 CarbonylContact O-C 3.6Å; Y33-Q120 VanDerWaalsContact O-CA 3.23Å; Y33-Q120 WeakPolarHBondContact O-CA 3.14Å; Y33-S121 WeakPolarHBondContact CB-OG 3.49Å; Y33-S121 PolarHBondContact N-O 3.39Å; Y33-S121 PolarHBondContact O-N 2.93Å; Y33-Y123 HydrophobicContact CD1-CE1 4.32Å; Y33-Y123 HydrophobicContact CD2-CE1 4.41Å; Y33-Y123 AromaticContact CE1-CE1 3.67Å; Y33-Y123 HydrophobicContact CE1-CE1 3.67Å; Y33-Y123 AromaticContact CE2-CE1 3.79Å; Y33-Y123 HydrophobicContact CE2-CE1 3.79Å; Y33-Y123 AromaticContact CZ-CE1 3.41Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.41Å; Y33-Y123 AromaticContact CZ-CZ 3.86Å; Y33-Y123 PolarHBondContact OH-OH 2.96Å
34	T	98.8	Very high	94	Very high	37 Å²	37	49.9 Å²	49.9	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	122.1	176.6	-57.2	0	0	0	0	109.1	M36 F46 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CG 3.98Å; T34-M36 HydrophobicContact CG2-SD 4.37Å; T34-F46 WeakPolarHBondContact O-CA 3.32Å; T34-I47 PolarHBondContact N-O 2.87Å; T34-I47 PolarHBondContact O-N 2.89Å; T34-T118 HydrophobicContact CG2-CG2 4Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å
35	A	98.6	Very high	95.9	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.017	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.8	170.4	0	0	0	0	0	109.9	R45 F46 Y98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.35Å; A35-F46 HydrophobicContact CB-CD2 4.14Å; A35-Y98 HydrophobicContact CB-CD1 3.67Å; A35-Y98 HydrophobicContact CB-CG 4.1Å; A35-L102 HydrophobicContact CB-CD1 3.9Å; A35-T118 CarbonylContact O-C 3.56Å; A35-T118 WeakPolarHBondContact O-CA 3.03Å; A35-L119 PolarHBondContact N-O 3.15Å; A35-L119 PolarHBondContact O-N 2.92Å
36	M	98.4	Very high	96.7	Very high	63 Å²	63	49.7 Å²	49.7	31%	0.31	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.2	-179.2	-60.6	171.5	-57.8	0	0	109.2	T34 P44 R45 I47 H117 T118	T34-M36 HydrophobicContact CG2-CG 3.98Å; T34-M36 HydrophobicContact CG2-SD 4.37Å; M36-P44 CarbonylContact O-C 3.47Å; M36-P44 WeakPolarHBondContact O-CA 3.48Å; M36-P44 WeakPolarHBondContact O-CB 3.33Å; M36-R45 HydrophobicContact CE-CB 4.2Å; M36-R45 HydrophobicContact CE-CG 4.35Å; M36-R45 PolarHBondContact N-O 2.94Å; M36-R45 PolarHBondContact O-N 2.93Å; M36-I47 HydrophobicContact CE-CD1 4.35Å; M36-H117 WeakPolarHBondContact CA-O 3.48Å; M36-T118 HydrophobicContact CG-CG2 4.08Å
37	S	97.7	Very high	97	Very high	18 Å²	18	49.2 Å²	49.2	13%	0.126	27%	0.265	C	S	.	.			trans	-69.1	151	170.7	74.4	0	0	0	0	110.2	G115 S116 H117	S37-G115 PolarHBondContact OG-O 2.92Å; S37-S116 PolarHBondContact O-OG 3.22Å; S37-H117 PolarHBondContact N-O 2.8Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.24Å
38	R	95.8	Very high	97.1	Very high	75 Å²	75	47.8 Å²	47.8	28%	0.283	26%	0.259	S	S	.	.			trans	-144.3	71.8	179.5	52.6	174.8	175	-159.5	-10.3	110.7	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.09Å; R38-R41 HydrophobicContact CB-CB 4.17Å; R38-R41 WeakPolarHBondContact CD-O 3.36Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 2.97Å; R38-R41 PolarHBondContact O-N 3.21Å; R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 3.19Å; R38-E43 PolarHBondContact NH2-O 3.19Å; R38-D63 IonicContact CZ-OD1 3.72Å; R38-D63 IonicContact CZ-OD2 3.19Å; R38-D63 IonicContact NH1-OD1 3.48Å; R38-D63 PolarHBondContact NH1-OD1 3.08Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 3.15Å; R38-D63 IonicContact NH2-OD1 3.47Å; R38-D63 PolarHBondContact NH2-OD1 3.29Å; R38-D63 IonicContact NH2-OD2 2.78Å
39	P	92.8	Very high	97.1	Very high	53 Å²	53	48.1 Å²	48.1	34%	0.344	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	131.6	-175.9	-27.3	35.3	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.43Å; P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; P39-G115 WeakPolarHBondContact CG-O 3.42Å
40	G	91.8	Very high	97.1	Very high	90 Å²	90	48.1 Å²	48.1	93%	0.928	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	1.4	-177.5	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.09Å
41	R	93.8	Very high	97.1	Very high	210 Å²	210	49 Å²	49	79%	0.792	26%	0.264	S	S	*	.	S	Bend	trans	-124.3	24.9	179.8	-58.2	-174.6	-178.6	-177.3	0.8	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.17Å; R38-R41 WeakPolarHBondContact CD-O 3.36Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 2.97Å; R38-R41 PolarHBondContact O-N 3.21Å; P39-R41 PolarHBondContact O-N 3.43Å
42	G	92.2	Very high	97.1	Very high	57 Å²	57	48.7 Å²	48.7	59%	0.588	26%	0.262	S	S	*	.	S	Bend	trans	96.4	-166.2	179.3	0	0	0	0	0	113.8
43	E	95.3	Very high	97	Very high	84 Å²	84	46.1 Å²	46.1	39%	0.393	25%	0.252	S	S	.	.	S	Bend	trans	-69.2	154.9	-178.4	-70.6	-64.6	159	0	0	112.4	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 3.19Å; R38-E43 PolarHBondContact NH2-O 3.19Å; E43-R45 PolarHBondContact O-N 3.36Å; E43-R99 WeakPolarHBondContact OE2-CD 3.46Å; E43-R99 IonicContact OE2-CZ 3.1Å; E43-R99 VanDerWaalsContact OE2-CZ 3.26Å; E43-R99 IonicContact OE2-NE 3.55Å; E43-R99 PolarHBondContact OE2-NE 3.43Å; E43-R99 IonicContact OE2-NH1 3.63Å; E43-R99 IonicContact OE2-NH2 3.33Å; E43-R103 IonicContact OE1-NH2 3.93Å; E43-R103 IonicContact OE2-NH2 2.85Å
44	P	97.3	Very high	96.9	Very high	22 Å²	22	48.6 Å²	48.6	14%	0.143	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-52.2	135.4	175.2	-26.4	35.1	0	0	0	112.1	M36 R99 L102	M36-P44 CarbonylContact O-C 3.47Å; M36-P44 WeakPolarHBondContact O-CA 3.48Å; M36-P44 WeakPolarHBondContact O-CB 3.33Å; P44-R99 HydrophobicContact CG-CB 4.47Å; P44-R99 HydrophobicContact CG-CG 4.19Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.92Å
45	R	98.3	Very high	96.9	Very high	76 Å²	76	47.5 Å²	47.5	29%	0.287	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.6	174.1	-176.1	-179.8	-175.2	178.6	-0.4	108.9	A35 M36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.35Å; M36-R45 HydrophobicContact CE-CB 4.2Å; M36-R45 HydrophobicContact CE-CG 4.35Å; M36-R45 PolarHBondContact N-O 2.94Å; M36-R45 PolarHBondContact O-N 2.93Å; E43-R45 PolarHBondContact O-N 3.36Å; R45-I47 HydrophobicContact CG-CD1 4.44Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; R45-D61 IonicContact CZ-OD1 3.84Å; R45-D61 IonicContact CZ-OD2 3.53Å; R45-D61 IonicContact NE-OD1 2.95Å; R45-D61 PolarHBondContact NE-OD1 2.9Å; R45-D61 IonicContact NE-OD2 3.54Å; R45-D61 IonicContact NH2-OD1 3.84Å; R45-D61 PolarHBondContact NH2-OD1 2.79Å; R45-D61 IonicContact NH2-OD2 3.54Å; R45-D61 PolarHBondContact NH2-OD2 3.4Å; R45-D63 VanDerWaalsContact CD-OD2 3.25Å; R45-D63 WeakPolarHBondContact CD-OD2 3.22Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 2.73Å
46	F	98.7	Very high	96.9	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.4	176.4	-179.8	-100.9	0	0	0	110.2	Y33 T34 A35 T48 F60 S62 N94 T95 Y98	Y33-F46 HydrophobicContact CD2-CE2 4.22Å; Y33-F46 AromaticContact CD2-CZ 3.85Å; Y33-F46 HydrophobicContact CD2-CZ 3.85Å; Y33-F46 HydrophobicContact CE2-CZ 4.35Å; Y33-F46 HydrophobicContact CG-CE2 4.27Å; Y33-F46 AromaticContact CG-CZ 3.94Å; Y33-F46 HydrophobicContact CG-CZ 3.94Å; T34-F46 WeakPolarHBondContact O-CA 3.32Å; A35-F46 HydrophobicContact CB-CD2 4.14Å; F46-T48 HydrophobicContact CE1-CG2 3.76Å; F46-T48 HydrophobicContact CZ-CG2 4.31Å; F46-F60 HydrophobicContact CD1-CD1 4Å; F46-F60 AromaticContact CD1-CE1 3.97Å; F46-F60 HydrophobicContact CD1-CE1 3.97Å; F46-F60 HydrophobicContact CE1-CD1 4.34Å; F46-S62 PolarHBondContact N-OG 2.88Å; F46-S62 PolarHBondContact O-N 3.04Å; F46-S62 PolarHBondContact O-OG 3.37Å; F46-N94 HydrophobicContact CE1-CB 4.09Å; F46-N94 HydrophobicContact CE2-CB 4.38Å; F46-N94 HydrophobicContact CZ-CB 3.71Å; F46-T95 HydrophobicContact CB-CG2 3.9Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.36Å; F46-Y98 HydrophobicContact CD2-CD1 4.41Å; F46-Y98 HydrophobicContact CD2-CD2 4.4Å; F46-Y98 HydrophobicContact CD2-CG 4.02Å; F46-Y98 HydrophobicContact CE2-CD1 4.1Å; F46-Y98 AromaticContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CE1 4.47Å; F46-Y98 HydrophobicContact CE2-CE2 4.11Å; F46-Y98 AromaticContact CE2-CG 3.72Å; F46-Y98 HydrophobicContact CE2-CG 3.72Å; F46-Y98 HydrophobicContact CZ-CD2 4.49Å
47	I	98.8	Very high	96.8	Very high	35 Å²	35	46.8 Å²	46.8	18%	0.179	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.8	175.3	-63.6	161.5	0	0	0	108	Y33 T34 M36 R45 F60	Y33-I47 WeakPolarHBondContact CA-O 3.1Å; T34-I47 PolarHBondContact N-O 2.87Å; T34-I47 PolarHBondContact O-N 2.89Å; M36-I47 HydrophobicContact CE-CD1 4.35Å; R45-I47 HydrophobicContact CG-CD1 4.44Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å
48	T	98.8	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140	167.2	164.1	0	0	0	0	110.6	F32 Y33 F46 R59 F60	F32-T48 VanDerWaalsContact O-CA 3.26Å; F32-T48 WeakPolarHBondContact O-CA 3.33Å; Y33-T48 HydrophobicContact CD1-CG2 4.5Å; Y33-T48 WeakPolarHBondContact CD1-OG1 3.42Å; Y33-T48 HydrophobicContact CE1-CG2 4.42Å; Y33-T48 WeakPolarHBondContact CE1-OG1 3.31Å; F46-T48 HydrophobicContact CE1-CG2 3.76Å; F46-T48 HydrophobicContact CZ-CG2 4.31Å; T48-R59 CarbonylContact O-C 3.49Å; T48-R59 WeakPolarHBondContact O-CA 3.5Å; T48-F60 HydrophobicContact CG2-CB 3.61Å; T48-F60 HydrophobicContact CG2-CD1 4.25Å; T48-F60 HydrophobicContact CG2-CG 4.28Å; T48-F60 PolarHBondContact N-O 2.95Å; T48-F60 PolarHBondContact O-N 3.29Å
49	V	98.9	Very high	97	Very high	31 Å²	31	46.4 Å²	46.4	19%	0.188	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.3	171.5	-67.8	0	0	0	0	110	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.49Å; F32-V49 HydrophobicContact CB-CG2 3.9Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.83Å; F32-V49 PolarHBondContact O-N 2.79Å; V49-Y51 HydrophobicContact CB-CE2 4.06Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; V49-L56 HydrophobicContact CB-CD1 3.69Å; V49-L56 HydrophobicContact CG1-CD1 3.97Å; V49-V58 WeakPolarHBondContact CA-O 3.35Å; V49-R59 HydrophobicContact CG1-CB 4.32Å; V49-R59 HydrophobicContact CG1-CG 4.17Å
50	G	98.8	Very high	97.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.9	175	0	0	0	0	0	110.4	R30 F57 V58	R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.44Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 3.29Å; G50-V58 PolarHBondContact N-O 2.8Å; G50-V58 PolarHBondContact O-N 3.22Å
51	Y	98.8	Very high	97.6	Very high	74 Å²	74	40.5 Å²	40.5	29%	0.29	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.5	178.6	-77.8	-101.4	0	0	0	110.5	M29 R30 F32 V49 T55 L56	M29-Y51 WeakPolarHBondContact CA-O 3.32Å; R30-Y51 PolarHBondContact N-O 2.84Å; R30-Y51 PolarHBondContact O-N 2.83Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; V49-Y51 HydrophobicContact CB-CE2 4.06Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; Y51-T55 WeakPolarHBondContact CA-O 3.19Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-L56 HydrophobicContact CD1-CB 4.17Å; Y51-L56 VanDerWaalsContact CD1-N 3.33Å; Y51-L56 HydrophobicContact CD2-CD1 4.07Å; Y51-L56 HydrophobicContact CE1-CB 3.62Å; Y51-L56 HydrophobicContact CE1-CD1 4.44Å; Y51-L56 HydrophobicContact CE2-CB 4.28Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.48Å
52	V	98.5	Very high	97.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.8	156.6	176.6	0	0	0	0	106.2	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; M29-V52 HydrophobicContact CG-CG2 4.29Å; V52-D54 PolarHBondContact O-N 2.66Å; V52-T55 PolarHBondContact N-O 2.9Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 3.06Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 4.08Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.5Å
53	D	97	Very high	98.1	Very high	29 Å²	29	32.3 Å²	32.3	16%	0.155	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	-127.1	-165.5	-52.4	-40.5	0	0	0	110	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.23Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 3.52Å; H27-D53 IonicContact ND1-OD1 3.91Å; H27-D53 IonicContact ND1-OD2 3.92Å; H27-D53 PolarHBondContact ND1-OD2 3.15Å; S28-D53 PolarHBondContact N-OD1 3.32Å; S28-D53 PolarHBondContact O-N 2.95Å; S28-D53 PolarHBondContact OG-OD1 3.08Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.2Å
54	D	97	Very high	98.2	Very high	62 Å²	62	30 Å²	30	33%	0.332	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	12.4	177.1	-57.5	-59.3	0	0	0	114.4	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.66Å; D54-Y233 HydrophobicContact CB-CE2 3.93Å; D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.27Å; D54-A235 PolarHBondContact OD2-N 3.47Å; D54-F265 HydrophobicContact CB-CE2 3.75Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	97.5	Very high	98.1	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.086	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.9	-177.9	-58.1	0	0	0	0	111.7	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.19Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 2.9Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 3.06Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.2Å; T55-F57 PolarHBondContact O-N 2.89Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 3.21Å; T55-R263 PolarHBondContact OG1-NE 2.85Å
56	L	98.1	Very high	98.1	Very high	50 Å²	50	36.1 Å²	36.1	26%	0.262	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	125.1	171.9	177.7	69.1	0	0	0	109.9	V49 Y51 R72	V49-L56 HydrophobicContact CB-CD1 3.69Å; V49-L56 HydrophobicContact CG1-CD1 3.97Å; Y51-L56 HydrophobicContact CD1-CB 4.17Å; Y51-L56 VanDerWaalsContact CD1-N 3.33Å; Y51-L56 HydrophobicContact CD2-CD1 4.07Å; Y51-L56 HydrophobicContact CE1-CB 3.62Å; Y51-L56 HydrophobicContact CE1-CD1 4.44Å; Y51-L56 HydrophobicContact CE2-CB 4.28Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.48Å; L56-R72 HydrophobicContact CD2-CB 3.95Å; L56-R72 HydrophobicContact CD2-CG 3.93Å; L56-R72 HydrophobicContact CG-CB 3.77Å; L56-R72 HydrophobicContact CG-CG 4.06Å; L56-R72 CarbonylContact O-C 3.48Å
57	F	98.4	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-24.4	-179.4	78.2	-84.1	0	0	0	114.6	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.39Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 3.29Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; T55-F57 PolarHBondContact O-N 2.89Å; F57-R72 PolarHBondContact O-N 3.17Å; F57-A73 HydrophobicContact CB-CB 4.08Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CH2 3.7Å; 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 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-I76 HydrophobicContact CD2-CB 4.35Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 3.98Å; F57-I76 HydrophobicContact CE2-CD1 4.22Å; F57-I76 VanDerWaalsContact O-CG2 3.31Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; F57-Y195 HydrophobicContact CE2-CD2 4.25Å; F57-Y195 AromaticContact CE2-CE2 3.77Å; F57-Y195 HydrophobicContact CE2-CE2 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.33Å; F57-Y195 AromaticContact CZ-CE2 3.93Å; F57-Y195 HydrophobicContact CZ-CE2 3.93Å
58	V	98.6	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.9	175.5	-71.5	0	0	0	0	113	Y31 V49 G50 K69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.93Å; V49-V58 WeakPolarHBondContact CA-O 3.35Å; G50-V58 PolarHBondContact N-O 2.8Å; G50-V58 PolarHBondContact O-N 3.22Å; V58-K69 HydrophobicContact CB-CD 3.92Å; V58-K69 HydrophobicContact CB-CG 4.11Å; V58-K69 HydrophobicContact CG1-CG 4.24Å; V58-K69 HydrophobicContact CG2-CD 4.17Å; V58-E70 VanDerWaalsContact CA-O 3.3Å; V58-E70 WeakPolarHBondContact CA-O 3.49Å; V58-I76 HydrophobicContact CG1-CG1 4.32Å; V58-W84 HydrophobicContact CG1-CH2 4.04Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å
59	R	98.6	Very high	97.9	Very high	85 Å²	85	43.3 Å²	43.3	32%	0.321	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.1	174	177.2	176.3	171.6	158.4	-1	111.2	T48 V49 D61 K69 E70 R72	T48-R59 CarbonylContact O-C 3.49Å; T48-R59 WeakPolarHBondContact O-CA 3.5Å; V49-R59 HydrophobicContact CG1-CB 4.32Å; V49-R59 HydrophobicContact CG1-CG 4.17Å; R59-D61 IonicContact NH2-OD2 3.98Å; R59-D61 PolarHBondContact NH2-OD2 3.03Å; R59-K69 WeakPolarHBondContact O-CA 3.49Å; R59-E70 PolarHBondContact N-O 3.24Å; R59-E70 PolarHBondContact O-N 2.8Å; R59-R72 HydrophobicContact CB-CG 4Å
60	F	98.8	Very high	97.9	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.8	162.5	171.2	-78.5	0	0	0	109.2	F46 I47 T48 P67 R68 K69 S91 K92	F46-F60 HydrophobicContact CD1-CD1 4Å; F46-F60 AromaticContact CD1-CE1 3.97Å; F46-F60 HydrophobicContact CD1-CE1 3.97Å; F46-F60 HydrophobicContact CE1-CD1 4.34Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å; T48-F60 HydrophobicContact CG2-CB 3.61Å; T48-F60 HydrophobicContact CG2-CD1 4.25Å; T48-F60 HydrophobicContact CG2-CG 4.28Å; T48-F60 PolarHBondContact N-O 2.95Å; T48-F60 PolarHBondContact O-N 3.29Å; F60-P67 HydrophobicContact CE2-CB 3.73Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.41Å; F60-K69 HydrophobicContact CB-CD 4.19Å; F60-S91 VanDerWaalsContact CD2-CB 3.43Å; F60-K92 HydrophobicContact CE2-CG 4.18Å; F60-K92 HydrophobicContact CZ-CG 4.14Å
61	D	98.7	Very high	97.9	Very high	18 Å²	18	47.5 Å²	47.5	10%	0.096	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	120.4	178.3	-162.8	-28.3	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.84Å; R45-D61 IonicContact CZ-OD2 3.53Å; R45-D61 IonicContact NE-OD1 2.95Å; R45-D61 PolarHBondContact NE-OD1 2.9Å; R45-D61 IonicContact NE-OD2 3.54Å; R45-D61 IonicContact NH2-OD1 3.84Å; R45-D61 PolarHBondContact NH2-OD1 2.79Å; R45-D61 IonicContact NH2-OD2 3.54Å; R45-D61 PolarHBondContact NH2-OD2 3.4Å; R59-D61 IonicContact NH2-OD2 3.98Å; R59-D61 PolarHBondContact NH2-OD2 3.03Å; D61-D63 PolarHBondContact O-N 3.43Å; D61-D63 PolarHBondContact OD1-N 3.43Å; D61-A64 WeakPolarHBondContact O-CB 3.4Å; D61-A64 PolarHBondContact O-N 2.96Å
62	S	98.3	Very high	97.9	Very high	27 Å²	27	49.7 Å²	49.7	19%	0.189	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.1	-178.2	67.8	0	0	0	0	113.4	F46	F46-S62 PolarHBondContact N-OG 2.88Å; F46-S62 PolarHBondContact O-N 3.04Å; F46-S62 PolarHBondContact O-OG 3.37Å
63	D	97.6	Very high	97.8	Very high	67 Å²	67	50 Å²	50	36%	0.358	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.3	-179.8	-78.2	5.5	0	0	0	112.9	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.72Å; R38-D63 IonicContact CZ-OD2 3.19Å; R38-D63 IonicContact NH1-OD1 3.48Å; R38-D63 PolarHBondContact NH1-OD1 3.08Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 3.15Å; R38-D63 IonicContact NH2-OD1 3.47Å; R38-D63 PolarHBondContact NH2-OD1 3.29Å; R38-D63 IonicContact NH2-OD2 2.78Å; R45-D63 VanDerWaalsContact CD-OD2 3.25Å; R45-D63 WeakPolarHBondContact CD-OD2 3.22Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 2.73Å; D61-D63 PolarHBondContact O-N 3.43Å; D61-D63 PolarHBondContact OD1-N 3.43Å
64	A	97.1	Very high	97.8	Very high	35 Å²	35	53.6 Å²	53.6	29%	0.289	29%	0.288	S	S	.	.	S	Bend	trans	-63.5	148.9	173.9	0	0	0	0	0	111	D61 S66 P67	D61-A64 WeakPolarHBondContact O-CB 3.4Å; D61-A64 PolarHBondContact O-N 2.96Å; A64-S66 PolarHBondContact O-N 3.47Å; A64-S66 VanDerWaalsContact O-N 3.17Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 2.93Å
65	T	96.1	Very high	97.7	Very high	155 Å²	155	51.5 Å²	51.5	95%	0.951	28%	0.275	S	S	*	.	S	Bend	trans	-57.1	-33.9	178.8	-50.4	0	0	0	0	112.7
66	S	96.4	Very high	97.8	Very high	73 Å²	73	50.8 Å²	50.8	51%	0.51	27%	0.271	S	S	.	.	S	Bend	trans	-134	85.6	174.3	-174.6	0	0	0	0	108.9	A64 R68	A64-S66 PolarHBondContact O-N 3.47Å; A64-S66 VanDerWaalsContact O-N 3.17Å; S66-R68 PolarHBondContact O-N 3.46Å
67	P	97.3	Very high	97.7	Very high	35 Å²	35	54.4 Å²	54.4	23%	0.227	29%	0.286	C	S	.	.			trans	-62.6	113	-174.1	-24.3	35.1	0	0	0	111.9	F60 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.73Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 2.93Å; P67-K92 VanDerWaalsContact O-CE 3.27Å; P67-K92 WeakPolarHBondContact O-CE 3.1Å
68	R	98.1	Very high	97.6	Very high	144 Å²	144	60.1 Å²	60.1	54%	0.543	31%	0.313	S	S	.	.			trans	-139.3	157.6	176.7	-65.6	-171	178.6	-156	-3.2	110.1	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.41Å; S66-R68 PolarHBondContact O-N 3.46Å; R68-E70 PolarHBondContact O-N 3.07Å; R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.24Å
69	K	98.5	Very high	97.5	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.035	32%	0.316	C	S	.	.			trans	-72.6	123.7	167.9	-169.9	78.9	75.9	177.7	0	107.2	V58 R59 F60 W84 E87 T88 S91	V58-K69 HydrophobicContact CB-CD 3.92Å; V58-K69 HydrophobicContact CB-CG 4.11Å; V58-K69 HydrophobicContact CG1-CG 4.24Å; V58-K69 HydrophobicContact CG2-CD 4.17Å; R59-K69 WeakPolarHBondContact O-CA 3.49Å; F60-K69 HydrophobicContact CB-CD 4.19Å; K69-W84 HydrophobicContact CB-CE3 4.33Å; K69-W84 HydrophobicContact CG-CE3 4.32Å; K69-W84 HydrophobicContact CG-CZ3 4.1Å; K69-E87 HydrophobicContact CB-CB 3.96Å; K69-E87 HydrophobicContact CG-CB 3.91Å; K69-T88 PolarHBondContact N-OG1 3.16Å; K69-S91 WeakPolarHBondContact CE-OG 3.22Å; K69-S91 PolarHBondContact NZ-OG 2.98Å
70	E	98.3	Very high	97.4	Very high	71 Å²	71	58.3 Å²	58.3	33%	0.332	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.4	-174.5	-65.8	173.2	168.1	0	0	110.4	V58 R59 R68 R72	V58-E70 VanDerWaalsContact CA-O 3.3Å; V58-E70 WeakPolarHBondContact CA-O 3.49Å; R59-E70 PolarHBondContact N-O 3.24Å; R59-E70 PolarHBondContact O-N 2.8Å; R68-E70 PolarHBondContact O-N 3.07Å; E70-R72 IonicContact OE2-CZ 3.99Å; E70-R72 IonicContact OE2-NH2 3.01Å; E70-R72 PolarHBondContact OE2-NH2 2.74Å
71	P	98.3	Very high	97.4	Very high	48 Å²	48	62.9 Å²	62.9	31%	0.312	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	147.2	171.8	29.1	-34.1	0	0	0	111	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.7Å; P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 3.93Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å
72	R	97.8	Very high	97.3	Very high	120 Å²	120	69.9 Å²	69.9	45%	0.453	38%	0.38	S	S	.	.			trans	-132	0.6	175	-61.6	-64.6	172.4	-173.7	0.1	113.3	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.95Å; L56-R72 HydrophobicContact CD2-CG 3.93Å; L56-R72 HydrophobicContact CG-CB 3.77Å; L56-R72 HydrophobicContact CG-CG 4.06Å; L56-R72 CarbonylContact O-C 3.48Å; F57-R72 PolarHBondContact O-N 3.17Å; R59-R72 HydrophobicContact CB-CG 4Å; E70-R72 IonicContact OE2-CZ 3.99Å; E70-R72 IonicContact OE2-NH2 3.01Å; E70-R72 PolarHBondContact OE2-NH2 2.74Å
73	A	96.8	Very high	97.3	Very high	6 Å²	6	69.2 Å²	69.2	5%	0.05	37%	0.373	C	S	.	.	S	Bend	trans	-137.2	144.5	173.4	0	0	0	0	0	110.6	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.08Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 3.99Å; A73-W75 PolarHBondContact O-N 3.21Å; A73-I76 WeakPolarHBondContact O-CG2 3.23Å; A73-I76 PolarHBondContact O-N 3.49Å
74	P	96.8	Very high	97.4	Very high	106 Å²	106	67.9 Å²	67.9	69%	0.688	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-59	-37.7	-177.1	-26.1	34.7	0	0	0	113.8	I76 E77	P74-I76 PolarHBondContact O-N 2.93Å; P74-E77 WeakPolarHBondContact O-CB 3.35Å; P74-E77 PolarHBondContact O-N 3.47Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	96.7	Very high	97.4	Very high	17 Å²	17	71.1 Å²	71.1	6%	0.064	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-70.3	-13.9	-175.5	53.4	-106.4	0	0	0	114.4	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CH2 3.7Å; 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 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 3.99Å; A73-W75 PolarHBondContact O-N 3.21Å; W75-Q78 WeakPolarHBondContact O-CG 3.47Å; W75-Q78 PolarHBondContact O-NE2 2.94Å; W75-Y195 HydrophobicContact CH2-CG 4.28Å; W75-Y195 AromaticContact CZ3-CD1 3.93Å; W75-Y195 HydrophobicContact CZ3-CD1 3.93Å; W75-Y195 HydrophobicContact CZ3-CD2 4.27Å; W75-Y195 AromaticContact CZ3-CG 3.67Å; W75-Y195 HydrophobicContact CZ3-CG 3.67Å; W75-N198 HydrophobicContact CB-CB 4.49Å; W75-N198 WeakPolarHBondContact CB-O 3.26Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.35Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å
76	I	97.9	Very high	97.5	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-91.1	-18.5	173.2	-161.5	73	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.35Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 3.98Å; F57-I76 HydrophobicContact CE2-CD1 4.22Å; F57-I76 VanDerWaalsContact O-CG2 3.31Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; V58-I76 HydrophobicContact CG1-CG1 4.32Å; P71-I76 HydrophobicContact CB-CG2 3.7Å; A73-I76 WeakPolarHBondContact O-CG2 3.23Å; A73-I76 PolarHBondContact O-N 3.49Å; P74-I76 PolarHBondContact O-N 2.93Å; I76-Q78 PolarHBondContact O-N 2.96Å; I76-Q78 VanDerWaalsContact O-N 3.17Å; I76-E79 HydrophobicContact CD1-CG 3.64Å; I76-E79 HydrophobicContact CG1-CG 4.06Å; I76-E79 WeakPolarHBondContact O-CB 3.45Å; I76-E79 WeakPolarHBondContact O-CG 3.35Å; I76-E79 PolarHBondContact O-N 3.01Å; I76-Y83 HydrophobicContact CD1-CE1 4.27Å; I76-Y83 HydrophobicContact CG1-CE1 4.22Å; I76-W84 HydrophobicContact CG1-CH2 3.86Å; I76-W84 HydrophobicContact CG1-CZ2 4.12Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.38Å; I76-W84 WeakPolarHBondContact O-CZ2 3.32Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.38Å
77	E	96.9	Very high	97.6	Very high	125 Å²	125	68.3 Å²	68.3	58%	0.584	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.8	-177.1	-65.7	-179.7	-174.5	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.35Å; P74-E77 PolarHBondContact O-N 3.47Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 2.03Å
78	Q	95.6	Very high	97.7	Very high	121 Å²	121	67.1 Å²	67.1	57%	0.565	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-10.9	175	67.1	-174.6	-27.5	0	0	114.2	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.47Å; W75-Q78 PolarHBondContact O-NE2 2.94Å; I76-Q78 PolarHBondContact O-N 2.96Å; I76-Q78 VanDerWaalsContact O-N 3.17Å; Q78-N198 PolarHBondContact NE2-ND2 2.76Å; Q78-N198 PolarHBondContact NE2-OD1 3.46Å
79	E	97.3	Very high	97.7	Very high	12 Å²	12	65.7 Å²	65.7	6%	0.056	33%	0.329	C	S	.	.	S	Bend	trans	-63	137.5	174.6	-69.9	-60.5	151.7	0	0	111.1	I76 E77 Y83 W84 R194	I76-E79 HydrophobicContact CD1-CG 3.64Å; I76-E79 HydrophobicContact CG1-CG 4.06Å; I76-E79 WeakPolarHBondContact O-CB 3.45Å; I76-E79 WeakPolarHBondContact O-CG 3.35Å; I76-E79 PolarHBondContact O-N 3.01Å; E77-E79 PolarHBondContact O-N 2.03Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 3.86Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.07Å; E79-Y83 HydrophobicContact CG-CG 4.05Å; E79-W84 HydrophobicContact CB-CZ2 4.35Å; E79-W84 PolarHBondContact O-NE1 2.91Å; E79-R194 IonicContact OE1-CZ 3.75Å; E79-R194 IonicContact OE1-NE 3.69Å; E79-R194 PolarHBondContact OE1-NE 3.5Å; E79-R194 VanDerWaalsContact OE1-NE 3.13Å; E79-R194 IonicContact OE1-NH1 3.71Å; E79-R194 IonicContact OE1-NH2 3.71Å; E79-R194 PolarHBondContact OE1-NH2 2.81Å; E79-R194 IonicContact OE2-CZ 3.8Å; E79-R194 VanDerWaalsContact OE2-CZ 3.24Å; E79-R194 IonicContact OE2-NH1 2.76Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 2.81Å
80	G	96.9	Very high	97.7	Very high	34 Å²	34	68.3 Å²	68.3	35%	0.351	34%	0.343	S	S	.	.			trans	-69.8	167.9	-176.8	0	0	0	0	0	113.8	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.97Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 2.84Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.77Å
81	P	97.7	Very high	97.7	Very high	98 Å²	98	65 Å²	65	64%	0.636	33%	0.327	S	S	*	.	H	α-helix	trans	-57.9	-34.7	-178.9	23.1	-33.6	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.84Å; P81-W84 PolarHBondContact O-N 3.46Å; P81-D85 WeakPolarHBondContact O-CB 3.4Å; P81-D85 PolarHBondContact O-N 2.85Å
82	E	97.9	Very high	97.7	Very high	166 Å²	166	66.9 Å²	66.9	78%	0.776	33%	0.33	S	S	*	.	H	α-helix	trans	-60	-36.8	177.9	-63.5	-178.6	179.2	0	0	112.8	G80 R86	G80-E82 PolarHBondContact O-N 2.97Å; E82-R86 WeakPolarHBondContact O-CB 3.48Å; E82-R86 PolarHBondContact O-N 3.19Å
83	Y	97.9	Very high	97.7	Very high	12 Å²	12	64.6 Å²	64.6	5%	0.047	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-51.2	174.7	172.2	-93.4	0	0	0	110.3	I76 E79 G80 P81 D85 R86 E87 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.27Å; I76-Y83 HydrophobicContact CG1-CE1 4.22Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 3.86Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.07Å; E79-Y83 HydrophobicContact CG-CG 4.05Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 2.84Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.84Å; Y83-D85 PolarHBondContact O-N 3.14Å; Y83-R86 PolarHBondContact O-N 2.77Å; Y83-E87 HydrophobicContact CD1-CG 4.25Å; Y83-E87 HydrophobicContact CD2-CG 4.14Å; Y83-E87 HydrophobicContact CE1-CG 3.9Å; Y83-E87 HydrophobicContact CE2-CG 3.76Å; Y83-E87 HydrophobicContact CG-CG 4.36Å; Y83-E87 WeakPolarHBondContact O-CB 3.32Å; Y83-E87 WeakPolarHBondContact O-CG 3.27Å; Y83-E87 PolarHBondContact O-N 2.69Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.29Å; Y83-Y195 PolarHBondContact OH-OH 3.02Å; Y83-Y195 VanDerWaalsContact OH-OH 3.07Å
84	W	98.4	Very high	97.8	Very high	39 Å²	39	65.9 Å²	65.9	15%	0.148	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-39.5	-177.6	-65.7	113.8	0	0	0	113.2	V58 K69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.04Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å; K69-W84 HydrophobicContact CB-CE3 4.33Å; K69-W84 HydrophobicContact CG-CE3 4.32Å; K69-W84 HydrophobicContact CG-CZ3 4.1Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 3.93Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å; I76-W84 HydrophobicContact CG1-CH2 3.86Å; I76-W84 HydrophobicContact CG1-CZ2 4.12Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.38Å; I76-W84 WeakPolarHBondContact O-CZ2 3.32Å; E79-W84 HydrophobicContact CB-CZ2 4.35Å; E79-W84 PolarHBondContact O-NE1 2.91Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.77Å; P81-W84 PolarHBondContact O-N 3.46Å; W84-T88 WeakPolarHBondContact O-CB 3.19Å; W84-T88 PolarHBondContact O-N 2.66Å; W84-T88 PolarHBondContact O-OG1 3.15Å
85	D	98.4	Very high	97.8	Very high	103 Å²	103	61.4 Å²	61.4	55%	0.551	31%	0.306	S	S	*	.	H	α-helix	trans	-66.4	-44.6	176.3	-75.1	-21.5	0	0	0	111	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.4Å; P81-D85 PolarHBondContact O-N 2.85Å; Y83-D85 PolarHBondContact O-N 3.14Å; D85-T88 PolarHBondContact O-N 2.79Å; D85-Q89 WeakPolarHBondContact O-CB 3.17Å; D85-Q89 PolarHBondContact O-N 2.96Å
86	R	98.1	Very high	97.9	Very high	148 Å²	148	64.6 Å²	64.6	56%	0.558	32%	0.322	S	S	*	.	H	α-helix	trans	-61.2	-51.7	176	-174.9	179.7	71.1	-160.5	1.1	111.8	E82 Y83 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.48Å; E82-R86 PolarHBondContact O-N 3.19Å; Y83-R86 PolarHBondContact O-N 2.77Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.36Å; R86-Q89 PolarHBondContact O-N 3.41Å; R86-Q89 VanDerWaalsContact O-N 3.13Å; R86-I90 HydrophobicContact CG-CD1 3.99Å; R86-I90 WeakPolarHBondContact O-CG1 3.39Å; R86-I90 PolarHBondContact O-N 2.77Å
87	E	98.3	Very high	97.9	Very high	21 Å²	21	67.2 Å²	67.2	10%	0.098	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-33.6	-179	-69	-51.1	125.5	0	0	112.6	K69 Y83 S91	K69-E87 HydrophobicContact CB-CB 3.96Å; K69-E87 HydrophobicContact CG-CB 3.91Å; Y83-E87 HydrophobicContact CD1-CG 4.25Å; Y83-E87 HydrophobicContact CD2-CG 4.14Å; Y83-E87 HydrophobicContact CE1-CG 3.9Å; Y83-E87 HydrophobicContact CE2-CG 3.76Å; Y83-E87 HydrophobicContact CG-CG 4.36Å; Y83-E87 WeakPolarHBondContact O-CB 3.32Å; Y83-E87 WeakPolarHBondContact O-CG 3.27Å; Y83-E87 PolarHBondContact O-N 2.69Å; E87-S91 WeakPolarHBondContact O-CB 3.29Å; E87-S91 PolarHBondContact O-N 3.13Å; E87-S91 PolarHBondContact O-OG 3.24Å
88	T	98.6	Very high	98	Very high	11 Å²	11	61.5 Å²	61.5	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-46	171.9	-66.5	0	0	0	0	110.9	R68 K69 W84 D85 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.24Å; K69-T88 PolarHBondContact N-OG1 3.16Å; W84-T88 WeakPolarHBondContact O-CB 3.19Å; W84-T88 PolarHBondContact O-N 2.66Å; W84-T88 PolarHBondContact O-OG1 3.15Å; D85-T88 PolarHBondContact O-N 2.79Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.36Å; T88-S91 PolarHBondContact O-N 2.93Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.44Å; T88-K92 PolarHBondContact O-N 3.45Å
89	Q	98.5	Very high	98.1	Very high	113 Å²	113	58 Å²	58	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-39	-179.8	-172.4	58.6	21	0	0	112.2	D85 R86 S91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.17Å; D85-Q89 PolarHBondContact O-N 2.96Å; R86-Q89 PolarHBondContact O-N 3.41Å; R86-Q89 VanDerWaalsContact O-N 3.13Å; Q89-S91 VanDerWaalsContact C-N 3.33Å; Q89-S91 PolarHBondContact O-N 3.26Å; Q89-K92 PolarHBondContact O-N 3.36Å; Q89-T93 WeakPolarHBondContact O-CB 3.42Å; Q89-T93 PolarHBondContact O-N 3.37Å; Q89-T93 PolarHBondContact O-OG1 3.48Å
90	I	97.9	Very high	98.1	Very high	64 Å²	64	63 Å²	63	33%	0.328	32%	0.316	S	S	.	.	H	α-helix	trans	-58.2	-47.5	171.6	-69.3	167.6	0	0	0	109.9	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 3.99Å; R86-I90 WeakPolarHBondContact O-CG1 3.39Å; R86-I90 PolarHBondContact O-N 2.77Å; I90-K92 PolarHBondContact O-N 3.49Å; I90-T93 PolarHBondContact O-N 2.79Å; I90-N94 WeakPolarHBondContact O-CB 3.39Å; I90-N94 PolarHBondContact O-N 2.7Å; I90-N94 PolarHBondContact O-ND2 2.75Å
91	S	98.5	Very high	98.2	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-38.7	-179.5	-55.7	0	0	0	0	113	F60 K69 E87 T88 Q89 N94 T95	F60-S91 VanDerWaalsContact CD2-CB 3.43Å; K69-S91 WeakPolarHBondContact CE-OG 3.22Å; K69-S91 PolarHBondContact NZ-OG 2.98Å; E87-S91 WeakPolarHBondContact O-CB 3.29Å; E87-S91 PolarHBondContact O-N 3.13Å; E87-S91 PolarHBondContact O-OG 3.24Å; T88-S91 PolarHBondContact O-N 2.93Å; Q89-S91 VanDerWaalsContact C-N 3.33Å; Q89-S91 PolarHBondContact O-N 3.26Å; S91-N94 PolarHBondContact O-N 2.89Å; S91-T95 PolarHBondContact O-N 3.24Å; S91-T95 PolarHBondContact O-OG1 3.43Å
92	K	98.3	Very high	98.2	Very high	89 Å²	89	59.9 Å²	59.9	39%	0.387	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-40.6	174.4	-73.5	178	177.2	178.3	0	112	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.18Å; F60-K92 HydrophobicContact CZ-CG 4.14Å; P67-K92 VanDerWaalsContact O-CE 3.27Å; P67-K92 WeakPolarHBondContact O-CE 3.1Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.44Å; T88-K92 PolarHBondContact O-N 3.45Å; Q89-K92 PolarHBondContact O-N 3.36Å; I90-K92 PolarHBondContact O-N 3.49Å; K92-T95 WeakPolarHBondContact O-CB 3.44Å; K92-T95 PolarHBondContact O-N 2.94Å; K92-Q96 PolarHBondContact O-N 2.94Å
93	T	98.4	Very high	98.1	Very high	71 Å²	71	58.2 Å²	58.2	44%	0.436	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-43.4	175.4	-55.5	0	0	0	0	110.9	Q89 I90 T95 Q96 T97	Q89-T93 WeakPolarHBondContact O-CB 3.42Å; Q89-T93 PolarHBondContact O-N 3.37Å; Q89-T93 PolarHBondContact O-OG1 3.48Å; I90-T93 PolarHBondContact O-N 2.79Å; T93-T95 VanDerWaalsContact C-N 3.33Å; T93-T95 PolarHBondContact O-N 2.96Å; T93-Q96 PolarHBondContact O-N 3.36Å; T93-T97 PolarHBondContact O-N 2.95Å; T93-T97 PolarHBondContact O-OG1 3.32Å
94	N	98.2	Very high	98.1	Very high	33 Å²	33	59 Å²	59	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-36.1	175.1	-74.2	-25.5	0	0	0	112.2	Y33 F46 I90 S91 Q96 T97 Y98	Y33-N94 HydrophobicContact CE2-CB 4.37Å; Y33-N94 VanDerWaalsContact CE2-ND2 3.26Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.4Å; Y33-N94 PolarHBondContact OH-ND2 3Å; F46-N94 HydrophobicContact CE1-CB 4.09Å; F46-N94 HydrophobicContact CE2-CB 4.38Å; F46-N94 HydrophobicContact CZ-CB 3.71Å; I90-N94 WeakPolarHBondContact O-CB 3.39Å; I90-N94 PolarHBondContact O-N 2.7Å; I90-N94 PolarHBondContact O-ND2 2.75Å; S91-N94 PolarHBondContact O-N 2.89Å; N94-Q96 VanDerWaalsContact C-N 3.26Å; N94-Q96 PolarHBondContact O-N 3.26Å; N94-T97 PolarHBondContact O-N 3.42Å; N94-Y98 HydrophobicContact CB-CD2 4.4Å; N94-Y98 WeakPolarHBondContact O-CB 3.27Å; N94-Y98 VanDerWaalsContact O-CD2 3.24Å; N94-Y98 WeakPolarHBondContact O-CD2 3.41Å; N94-Y98 PolarHBondContact O-N 2.98Å
95	T	98.3	Very high	98.1	Very high	12 Å²	12	57.5 Å²	57.5	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-56	-41.9	173.9	-58.5	0	0	0	0	111.7	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.9Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.36Å; S91-T95 PolarHBondContact O-N 3.24Å; S91-T95 PolarHBondContact O-OG1 3.43Å; K92-T95 WeakPolarHBondContact O-CB 3.44Å; K92-T95 PolarHBondContact O-N 2.94Å; T93-T95 VanDerWaalsContact C-N 3.33Å; T93-T95 PolarHBondContact O-N 2.96Å; T95-R99 WeakPolarHBondContact O-CB 3.34Å; T95-R99 PolarHBondContact O-N 3.27Å
96	Q	98	Very high	98	Very high	85 Å²	85	54 Å²	54	40%	0.397	26%	0.256	S	S	.	.	H	α-helix	trans	-72	-44.7	176.6	-59.2	-52.9	-44.8	0	0	112	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 2.94Å; T93-Q96 PolarHBondContact O-N 3.36Å; N94-Q96 VanDerWaalsContact C-N 3.26Å; N94-Q96 PolarHBondContact O-N 3.26Å; Q96-Y98 VanDerWaalsContact C-N 3.34Å; Q96-Y98 PolarHBondContact O-N 3.5Å; Q96-R99 WeakPolarHBondContact O-CB 3.38Å; Q96-R99 PolarHBondContact O-N 3.06Å; Q96-E100 PolarHBondContact O-N 3.34Å
97	T	98.1	Very high	98	Very high	55 Å²	55	55.1 Å²	55.1	34%	0.337	26%	0.26	S	S	.	.	H	α-helix	trans	-58.5	-45.5	179.3	-56.5	0	0	0	0	111.4	T93 N94 R99 E100 N101	T93-T97 PolarHBondContact O-N 2.95Å; T93-T97 PolarHBondContact O-OG1 3.32Å; N94-T97 PolarHBondContact O-N 3.42Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.5Å; T97-E100 PolarHBondContact O-N 3.47Å; T97-N101 WeakPolarHBondContact O-CB 3.21Å; T97-N101 PolarHBondContact O-N 3.05Å; T97-N101 PolarHBondContact O-ND2 3.36Å; T97-N101 PolarHBondContact O-OD1 2.88Å
98	Y	98.2	Very high	98	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-68.6	-33.1	179.5	-86.8	-106.6	0	0	0	112.8	Y33 A35 F46 N94 Q96 N101 L102 L119 S121 Y140	Y33-Y98 AromaticContact CD2-CE2 3.76Å; Y33-Y98 HydrophobicContact CD2-CE2 3.76Å; Y33-Y98 AromaticContact CD2-CZ 3.77Å; Y33-Y98 HydrophobicContact CE2-CE2 4.49Å; A35-Y98 HydrophobicContact CB-CD1 3.67Å; A35-Y98 HydrophobicContact CB-CG 4.1Å; F46-Y98 HydrophobicContact CD2-CD1 4.41Å; F46-Y98 HydrophobicContact CD2-CD2 4.4Å; F46-Y98 HydrophobicContact CD2-CG 4.02Å; F46-Y98 HydrophobicContact CE2-CD1 4.1Å; F46-Y98 AromaticContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CE1 4.47Å; F46-Y98 HydrophobicContact CE2-CE2 4.11Å; F46-Y98 AromaticContact CE2-CG 3.72Å; F46-Y98 HydrophobicContact CE2-CG 3.72Å; F46-Y98 HydrophobicContact CZ-CD2 4.49Å; N94-Y98 HydrophobicContact CB-CD2 4.4Å; N94-Y98 WeakPolarHBondContact O-CB 3.27Å; N94-Y98 VanDerWaalsContact O-CD2 3.24Å; N94-Y98 WeakPolarHBondContact O-CD2 3.41Å; N94-Y98 PolarHBondContact O-N 2.98Å; Q96-Y98 VanDerWaalsContact C-N 3.34Å; Q96-Y98 PolarHBondContact O-N 3.5Å; Y98-N101 PolarHBondContact O-N 2.95Å; Y98-L102 WeakPolarHBondContact O-CG 3.46Å; Y98-L102 PolarHBondContact O-N 3.46Å; Y98-L119 HydrophobicContact CD1-CB 4.36Å; Y98-L119 HydrophobicContact CD1-CD2 3.6Å; Y98-L119 HydrophobicContact CD1-CG 3.92Å; Y98-L119 HydrophobicContact CE1-CD2 3.91Å; Y98-L119 HydrophobicContact CE1-CG 3.95Å; Y98-L119 HydrophobicContact CG-CD2 4.37Å; Y98-S121 WeakPolarHBondContact OH-CB 3.41Å; Y98-S121 PolarHBondContact OH-OG 3.47Å; Y98-Y140 HydrophobicContact CE1-CE1 4.45Å; Y98-Y140 AromaticContact CZ-CE1 3.96Å; Y98-Y140 WeakPolarHBondContact OH-CE1 3.18Å
99	R	97.8	Very high	97.9	Very high	46 Å²	46	58.8 Å²	58.8	17%	0.174	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-45.3	172	175.4	-168.5	-59.4	-178.3	-12	111.5	E43 P44 T95 Q96 T97 L102 R103	E43-R99 WeakPolarHBondContact OE2-CD 3.46Å; E43-R99 IonicContact OE2-CZ 3.1Å; E43-R99 VanDerWaalsContact OE2-CZ 3.26Å; E43-R99 IonicContact OE2-NE 3.55Å; E43-R99 PolarHBondContact OE2-NE 3.43Å; E43-R99 IonicContact OE2-NH1 3.63Å; E43-R99 IonicContact OE2-NH2 3.33Å; P44-R99 HydrophobicContact CG-CB 4.47Å; P44-R99 HydrophobicContact CG-CG 4.19Å; T95-R99 WeakPolarHBondContact O-CB 3.34Å; T95-R99 PolarHBondContact O-N 3.27Å; Q96-R99 WeakPolarHBondContact O-CB 3.38Å; Q96-R99 PolarHBondContact O-N 3.06Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.5Å; R99-L102 PolarHBondContact O-N 2.9Å; R99-R103 PolarHBondContact O-N 3.44Å
100	E	97.8	Very high	97.9	Very high	119 Å²	119	60.6 Å²	60.6	56%	0.556	29%	0.286	S	S	*	.	H	α-helix	trans	-67.3	-37.6	176	-69.2	-178.8	-177.5	0	0	112.4	Q96 T97 R103 T104	Q96-E100 PolarHBondContact O-N 3.34Å; T97-E100 PolarHBondContact O-N 3.47Å; E100-R103 PolarHBondContact O-N 3.29Å; E100-T104 WeakPolarHBondContact O-CB 3.38Å; E100-T104 PolarHBondContact O-N 3.34Å; E100-T104 PolarHBondContact O-OG1 3.38Å; E100-T104 VanDerWaalsContact O-OG1 3.04Å
101	N	98.1	Very high	97.8	Very high	60 Å²	60	60.5 Å²	60.5	32%	0.321	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-41.7	175.9	-70.8	-15.9	0	0	0	111.7	T97 Y98 R103 T104 A105 L119	T97-N101 WeakPolarHBondContact O-CB 3.21Å; T97-N101 PolarHBondContact O-N 3.05Å; T97-N101 PolarHBondContact O-ND2 3.36Å; T97-N101 PolarHBondContact O-OD1 2.88Å; Y98-N101 PolarHBondContact O-N 2.95Å; N101-R103 PolarHBondContact O-N 3.38Å; N101-T104 PolarHBondContact O-N 2.88Å; N101-T104 VanDerWaalsContact O-N 3.13Å; N101-A105 WeakPolarHBondContact O-CB 3.44Å; N101-A105 PolarHBondContact O-N 2.92Å; N101-L119 HydrophobicContact CB-CD2 3.51Å
102	L	98.2	Very high	97.6	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-45.6	173.4	-77.3	167	0	0	0	111.5	A35 P44 Y98 R99 T104 A105 L106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.9Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.92Å; Y98-L102 WeakPolarHBondContact O-CG 3.46Å; Y98-L102 PolarHBondContact O-N 3.46Å; R99-L102 PolarHBondContact O-N 2.9Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 3.47Å; L102-A105 PolarHBondContact O-N 2.77Å; L102-L106 WeakPolarHBondContact O-CG 3.13Å; L102-L106 PolarHBondContact O-N 3.15Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L102-L119 HydrophobicContact CD2-CB 3.76Å; L102-L119 HydrophobicContact CG-CB 4.2Å; L102-Y142 HydrophobicContact CD2-CE2 4.16Å
103	R	97.1	Very high	97.4	Very high	130 Å²	130	67.9 Å²	67.9	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-62.7	-34.7	175.4	-67.4	175.8	-176.2	165	1.8	112.4	E43 R99 E100 N101 R107	E43-R103 IonicContact OE1-NH2 3.93Å; E43-R103 IonicContact OE2-NH2 2.85Å; R99-R103 PolarHBondContact O-N 3.44Å; E100-R103 PolarHBondContact O-N 3.29Å; N101-R103 PolarHBondContact O-N 3.38Å; R103-R107 PolarHBondContact O-N 3.3Å
104	T	97.7	Very high	97.1	Very high	30 Å²	30	68.6 Å²	68.6	18%	0.184	34%	0.342	C	S	.	.	H	α-helix	trans	-72.4	-41.3	177.5	-63.6	0	0	0	0	111.8	E100 N101 L102 L106 R107 Y108	E100-T104 WeakPolarHBondContact O-CB 3.38Å; E100-T104 PolarHBondContact O-N 3.34Å; E100-T104 PolarHBondContact O-OG1 3.38Å; E100-T104 VanDerWaalsContact O-OG1 3.04Å; N101-T104 PolarHBondContact O-N 2.88Å; N101-T104 VanDerWaalsContact O-N 3.13Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 3.47Å; T104-L106 VanDerWaalsContact C-N 3.35Å; T104-L106 PolarHBondContact O-N 2.9Å; T104-R107 WeakPolarHBondContact O-CB 3.32Å; T104-R107 PolarHBondContact O-N 3.03Å; T104-R107 VanDerWaalsContact O-N 3.13Å; T104-R107 PolarHBondContact OG1-NH2 2.63Å; T104-R107 VanDerWaalsContact OG1-NH2 3.1Å; T104-Y108 HydrophobicContact CG2-CD1 4.21Å; T104-Y108 HydrophobicContact CG2-CD2 4.29Å; T104-Y108 HydrophobicContact CG2-CE1 3.68Å; T104-Y108 HydrophobicContact CG2-CE2 3.78Å; T104-Y108 HydrophobicContact CG2-CG 4.48Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.44Å; T104-Y108 PolarHBondContact O-N 2.88Å
105	A	97.4	Very high	96.9	Very high	7 Å²	7	68 Å²	68	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-43.9	175.5	0	0	0	0	0	111.4	N101 L102 R107 Y108 Y109 Y142	N101-A105 WeakPolarHBondContact O-CB 3.44Å; N101-A105 PolarHBondContact O-N 2.92Å; L102-A105 PolarHBondContact O-N 2.77Å; A105-R107 PolarHBondContact O-N 2.83Å; A105-Y108 PolarHBondContact O-N 3.43Å; A105-Y108 VanDerWaalsContact O-N 3.09Å; A105-Y109 HydrophobicContact CB-CD2 4.49Å; A105-Y109 VanDerWaalsContact O-CD2 3.32Å; A105-Y109 WeakPolarHBondContact O-CD2 3.34Å; A105-Y109 PolarHBondContact O-N 2.82Å; A105-Y142 HydrophobicContact CB-CD1 4.5Å; A105-Y142 HydrophobicContact CB-CD2 3.94Å; A105-Y142 HydrophobicContact CB-CE1 4.1Å; A105-Y142 HydrophobicContact CB-CE2 3.48Å; A105-Y142 VanDerWaalsContact CB-CE2 3.48Å; A105-Y142 HydrophobicContact CB-CG 4.42Å
106	L	97.2	Very high	96.8	Very high	29 Å²	29	71.6 Å²	71.6	15%	0.152	37%	0.369	C	S	.	.	H	α-helix	trans	-50.7	-45.1	172.9	-73.7	175.9	0	0	0	112.3	L102 T104 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CG 3.13Å; L102-L106 PolarHBondContact O-N 3.15Å; T104-L106 VanDerWaalsContact C-N 3.35Å; T104-L106 PolarHBondContact O-N 2.9Å; L106-N110 WeakPolarHBondContact O-CA 3.36Å; L106-N110 PolarHBondContact O-N 3.44Å; L106-Q111 HydrophobicContact CD2-CB 3.66Å; L106-Q111 PolarHBondContact O-N 3.08Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.34Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.48Å
107	R	97.5	Very high	96.8	Very high	172 Å²	172	68.3 Å²	68.3	65%	0.649	35%	0.353	S	S	*	.	H	α-helix	trans	-68.7	-42.5	178.3	-67.6	-176.4	-65.7	-158.9	-2.2	112.6	R103 T104 A105 Y109 N110	R103-R107 PolarHBondContact O-N 3.3Å; T104-R107 WeakPolarHBondContact O-CB 3.32Å; T104-R107 PolarHBondContact O-N 3.03Å; T104-R107 VanDerWaalsContact O-N 3.13Å; T104-R107 PolarHBondContact OG1-NH2 2.63Å; T104-R107 VanDerWaalsContact OG1-NH2 3.1Å; A105-R107 PolarHBondContact O-N 2.83Å; R107-Y109 VanDerWaalsContact C-N 3.29Å; R107-Y109 PolarHBondContact O-N 3.44Å; R107-N110 PolarHBondContact O-N 2.99Å
108	Y	97.8	Very high	96.8	Very high	44 Å²	44	67.5 Å²	67.5	17%	0.173	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-35.1	-179.4	-69.5	-4.5	0	0	0	112.4	T104 A105 Y147 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.21Å; T104-Y108 HydrophobicContact CG2-CD2 4.29Å; T104-Y108 HydrophobicContact CG2-CE1 3.68Å; T104-Y108 HydrophobicContact CG2-CE2 3.78Å; T104-Y108 HydrophobicContact CG2-CG 4.48Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.44Å; T104-Y108 PolarHBondContact O-N 2.88Å; A105-Y108 PolarHBondContact O-N 3.43Å; A105-Y108 VanDerWaalsContact O-N 3.09Å; Y108-Y147 WeakPolarHBondContact CD2-OH 3.37Å; Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CE1-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CG2 4.02Å; Y108-I166 HydrophobicContact CE2-CB 4.06Å; Y108-I166 HydrophobicContact CE2-CG2 4.05Å; Y108-I166 HydrophobicContact CG-CD1 4.28Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.4Å; Y108-K170 PolarHBondContact OH-NZ 2.85Å
109	Y	97.6	Very high	96.8	Very high	64 Å²	64	67.7 Å²	67.7	25%	0.251	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.4	180	-70.1	-72.4	0	0	0	114	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 HydrophobicContact CB-CD2 4.49Å; A105-Y109 VanDerWaalsContact O-CD2 3.32Å; A105-Y109 WeakPolarHBondContact O-CD2 3.34Å; A105-Y109 PolarHBondContact O-N 2.82Å; R107-Y109 VanDerWaalsContact C-N 3.29Å; R107-Y109 PolarHBondContact O-N 3.44Å; Y109-Q111 PolarHBondContact O-N 2.64Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CG 4.37Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Y109-Y147 HydrophobicContact CE2-CD2 4.29Å; Y109-Y147 AromaticContact CE2-CE2 3.96Å; Y109-Y147 HydrophobicContact CE2-CE2 3.96Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 2.85Å; Y109-D161 PolarHBondContact OH-OD2 2.96Å; Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.4Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	96.9	Very high	96.9	Very high	152 Å²	152	69.1 Å²	69.1	81%	0.813	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.8	-176.1	-56.4	-57.8	0	0	0	113.1	L106 R107	L106-N110 WeakPolarHBondContact O-CA 3.36Å; L106-N110 PolarHBondContact O-N 3.44Å; R107-N110 PolarHBondContact O-N 2.99Å
111	Q	96.8	Very high	96.9	Very high	62 Å²	62	63.7 Å²	63.7	29%	0.29	33%	0.334	S	S	.	.			trans	-90.6	154.6	-178	-70.2	170.7	-33.1	0	0	111.6	L106 Y109 H117 Y142	L106-Q111 HydrophobicContact CD2-CB 3.66Å; L106-Q111 PolarHBondContact O-N 3.08Å; Y109-Q111 PolarHBondContact O-N 2.64Å; Q111-H117 PolarHBondContact NE2-CE1 3.08Å; Q111-H117 PolarHBondContact OE1-CE1 2.96Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.29Å; Q111-Y142 PolarHBondContact OE1-OH 3.23Å
112	S	94.7	Very high	97	Very high	78 Å²	78	61.7 Å²	61.7	55%	0.545	32%	0.323	S	S	.	.			trans	-80.3	151.2	178.8	74.6	0	0	0	0	112.1	A114 G115	S112-A114 PolarHBondContact O-N 2.86Å; S112-G115 PolarHBondContact O-N 3.47Å
113	E	92.9	Very high	97	Very high	166 Å²	166	62.9 Å²	62.9	78%	0.776	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-9.6	177.2	-61.6	-172.4	167.9	0	0	113.6	P39 G115	P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	93.1	Very high	97	Very high	86 Å²	86	56.7 Å²	56.7	71%	0.711	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.4	177.6	0	0	0	0	0	112.6	S112	S112-A114 PolarHBondContact O-N 2.86Å
115	G	93.1	Very high	97.1	Very high	21 Å²	21	55.3 Å²	55.3	22%	0.216	30%	0.295	C	S	.	.	S	Bend	trans	-76.5	139.2	-179.4	0	0	0	0	0	113.5	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 2.92Å; P39-G115 WeakPolarHBondContact CG-O 3.42Å; S112-G115 PolarHBondContact O-N 3.47Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.19Å
116	S	96.8	Very high	97.1	Very high	86 Å²	86	56.4 Å²	56.4	60%	0.601	30%	0.3	S	S	*	.			trans	-84.3	126.2	166	-177.4	0	0	0	0	108.7	S37	S37-S116 PolarHBondContact O-OG 3.22Å
117	H	98.2	Very high	97.2	Very high	16 Å²	16	55 Å²	55	7%	0.074	29%	0.293	C	S	.	.			trans	-129.9	151.3	-174.5	-65.5	-76.7	0	0	0	110.8	M36 S37 L102 L106 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.48Å; S37-H117 PolarHBondContact N-O 2.8Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.24Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.34Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.48Å; Q111-H117 PolarHBondContact NE2-CE1 3.08Å; Q111-H117 PolarHBondContact OE1-CE1 2.96Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.29Å; G115-H117 PolarHBondContact O-CD2 3.19Å; H117-Y142 HydrophobicContact CB-CE2 3.98Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.87Å; H117-Y142 PolarHBondContact ND1-OH 3.18Å; H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 WeakPolarHBondContact CB-OD1 3.39Å; H117-D143 IonicContact CE1-OD2 2.68Å; H117-D143 IonicContact CG-OD1 3.26Å; H117-D143 IonicContact CG-OD2 3.57Å; H117-D143 IonicContact ND1-OD1 2.76Å; H117-D143 PolarHBondContact ND1-OD1 3.15Å; H117-D143 IonicContact ND1-OD2 3.7Å; H117-D143 PolarHBondContact ND1-OD2 3.03Å
118	T	98.6	Very high	97.1	Very high	38 Å²	38	47 Å²	47	23%	0.233	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.1	-176.8	-52.3	0	0	0	0	110.4	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4Å; A35-T118 CarbonylContact O-C 3.56Å; A35-T118 WeakPolarHBondContact O-CA 3.03Å; M36-T118 HydrophobicContact CG-CG2 4.08Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 WeakPolarHBondContact O-CD2 3.26Å; T118-D143 PolarHBondContact N-OD1 2.94Å; T118-D143 PolarHBondContact O-N 3.33Å
119	L	98.7	Very high	96.8	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.1	170.6	-179.4	66.1	0	0	0	108.6	A35 Y98 N101 L102 Y140 Y142	A35-L119 PolarHBondContact N-O 3.15Å; A35-L119 PolarHBondContact O-N 2.92Å; Y98-L119 HydrophobicContact CD1-CB 4.36Å; Y98-L119 HydrophobicContact CD1-CD2 3.6Å; Y98-L119 HydrophobicContact CD1-CG 3.92Å; Y98-L119 HydrophobicContact CE1-CD2 3.91Å; Y98-L119 HydrophobicContact CE1-CG 3.95Å; Y98-L119 HydrophobicContact CG-CD2 4.37Å; N101-L119 HydrophobicContact CB-CD2 3.51Å; L102-L119 HydrophobicContact CD2-CB 3.76Å; L102-L119 HydrophobicContact CG-CB 4.2Å; L119-Y140 HydrophobicContact CD1-CD1 4.47Å; L119-Y142 HydrophobicContact CD1-CD2 4.39Å
120	Q	98.8	Very high	96.5	Very high	75 Å²	75	51.3 Å²	51.3	35%	0.35	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.3	179.9	-62.5	173.9	-90.5	0	0	110.1	Y33 T34 T118 Y140 A141	Y33-Q120 CarbonylContact O-C 3.6Å; Y33-Q120 VanDerWaalsContact O-CA 3.23Å; Y33-Q120 WeakPolarHBondContact O-CA 3.14Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 VanDerWaalsContact O-CA 3.27Å; Q120-Y140 WeakPolarHBondContact O-CA 3.45Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 2.83Å; Q120-A141 PolarHBondContact O-N 3.25Å
121	S	98.4	Very high	96.3	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.3	164.9	78.8	0	0	0	0	111.7	F32 Y33 Y98 Q139	F32-S121 WeakPolarHBondContact CA-O 3.31Å; Y33-S121 WeakPolarHBondContact CB-OG 3.49Å; Y33-S121 PolarHBondContact N-O 3.39Å; Y33-S121 PolarHBondContact O-N 2.93Å; Y98-S121 WeakPolarHBondContact OH-CB 3.41Å; Y98-S121 PolarHBondContact OH-OG 3.47Å; S121-Q139 CarbonylContact C-O 3.58Å; S121-Q139 WeakPolarHBondContact CA-O 3.45Å; S121-Q139 WeakPolarHBondContact CB-O 3.49Å
122	M	98.6	Very high	96.2	Very high	18 Å²	18	49.8 Å²	49.8	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.7	165.3	-174.9	-78.3	-69.7	0	0	108.6	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.29Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.1Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CG-CG 4.49Å; F32-M122 HydrophobicContact CZ-CG 3.97Å; M122-H137 HydrophobicContact CE-CB 3.87Å; M122-H137 HydrophobicContact SD-CB 4.01Å; M122-N138 WeakPolarHBondContact O-CA 3.4Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 4.08Å; M122-Q139 PolarHBondContact N-O 3.37Å; M122-Q139 PolarHBondContact O-N 3Å
123	Y	98.5	Very high	96.4	Very high	31 Å²	31	48.5 Å²	48.5	12%	0.122	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.5	170.2	72.2	-87.5	0	0	0	110.7	Y31 Y33 H137 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.48Å; Y31-Y123 AromaticContact CD2-CE2 3.7Å; Y31-Y123 HydrophobicContact CD2-CE2 3.7Å; Y31-Y123 AromaticContact CD2-CZ 3.75Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.18Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 3.44Å; Y31-Y123 PolarHBondContact O-N 2.95Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD1-CE1 4.32Å; Y33-Y123 HydrophobicContact CD2-CE1 4.41Å; Y33-Y123 AromaticContact CE1-CE1 3.67Å; Y33-Y123 HydrophobicContact CE1-CE1 3.67Å; Y33-Y123 AromaticContact CE2-CE1 3.79Å; Y33-Y123 HydrophobicContact CE2-CE1 3.79Å; Y33-Y123 AromaticContact CZ-CE1 3.41Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.41Å; Y33-Y123 AromaticContact CZ-CZ 3.86Å; Y33-Y123 PolarHBondContact OH-OH 2.96Å; Y123-H137 CarbonylContact C-O 3.52Å; Y123-H137 WeakPolarHBondContact CA-O 3.48Å; Y123-H137 VanDerWaalsContact CB-O 3.26Å; Y123-H137 WeakPolarHBondContact CB-O 3.46Å; Y123-Y183 AromaticContact CD2-CE1 3.89Å; Y123-Y183 HydrophobicContact CD2-CE1 3.89Å; Y123-Y183 AromaticContact CE2-CE1 3.78Å; Y123-Y183 HydrophobicContact CE2-CE1 3.78Å
124	G	98.6	Very high	96.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-177.2	-177.1	0	0	0	0	0	113.6	M29 H137 L184	M29-G124 CarbonylContact O-C 3.49Å; M29-G124 WeakPolarHBondContact O-CA 3.44Å; G124-H137 PolarHBondContact N-O 3.48Å; G124-H137 PolarHBondContact O-N 3.45Å; G124-L184 WeakPolarHBondContact O-CD2 3.08Å
125	C	98.6	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146	-176.3	50.8	0	0	0	0	110.6	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.38Å; M29-C125 PolarHBondContact N-O 3Å; M29-C125 PolarHBondContact O-N 2.82Å; C125-L133 HydrophobicContact CB-CD1 3.6Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.2Å; C125-C188 PolarHBondContact N-SG 3.03Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.26Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.4Å; C125-V189 HydrophobicContact CB-CG2 4.4Å
126	D	98.4	Very high	97	Very high	30 Å²	30	46.1 Å²	46.1	16%	0.16	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.1	172.4	-53.4	-24	0	0	0	108.2	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.05Å; S28-D126 WeakPolarHBondContact CB-OD1 3.36Å; R30-D126 IonicContact CZ-OD1 2.99Å; R30-D126 IonicContact NE-OD1 3.38Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 2.99Å; R30-D126 PolarHBondContact NH2-OD1 2.91Å; R30-D126 IonicContact NH2-OD2 3.61Å; R30-D126 PolarHBondContact NH2-OD2 3.3Å; D126-L134 PolarHBondContact O-N 2.87Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 3.32Å; D126-R135 PolarHBondContact O-N 3.33Å; D126-H137 IonicContact OD1-CD2 2.91Å; D126-H137 IonicContact OD1-NE2 3.36Å; D126-H137 IonicContact OD2-CD2 2.94Å; D126-H137 IonicContact OD2-CE1 3.5Å; D126-H137 IonicContact OD2-NE2 3.73Å; D126-H137 PolarHBondContact OD2-NE2 3.29Å
127	V	97.8	Very high	97.1	Very high	1 Å²	1	43 Å²	43	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.1	179.4	-60.1	0	0	0	0	110.9	S26 H27 R132 V189 L192	S26-V127 WeakPolarHBondContact CA-O 3.2Å; H27-V127 HydrophobicContact CB-CG2 4.02Å; H27-V127 PolarHBondContact N-O 3.47Å; H27-V127 PolarHBondContact O-N 3.44Å; V127-R132 WeakPolarHBondContact CA-O 3.49Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 4.02Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; V127-L192 HydrophobicContact CB-CD2 4.36Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.22Å
128	G	95.3	Very high	97.1	Very high	4 Å²	4	42.6 Å²	42.6	4%	0.041	21%	0.213	C	C	.	.			trans	-80.7	-178.2	174.1	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.93Å; G128-G131 WeakPolarHBondContact O-CA 3.48Å; G128-G131 PolarHBondContact O-N 2.92Å; G128-R132 PolarHBondContact N-O 3.3Å
129	P	92.6	Very high	97.1	Very high	101 Å²	101	44.8 Å²	44.8	66%	0.656	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.5	177.5	-24.3	33.7	0	0	0	114.3	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.4Å; G25-P129 VanDerWaalsContact O-CA 3.26Å; G25-P129 WeakPolarHBondContact O-CA 3.31Å; P129-G131 PolarHBondContact O-N 3.45Å
130	D	92.1	Very high	97.1	Very high	96 Å²	96	46.3 Å²	46.3	51%	0.513	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	1.6	174.1	70.8	-10.8	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 2.93Å; D130-R132 PolarHBondContact O-N 3.49Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 PolarHBondContact OD1-N 2.88Å; D130-R132 WeakPolarHBondContact OD2-CD 3.38Å; D130-R132 WeakPolarHBondContact OD2-CG 3.29Å; D130-R132 IonicContact OD2-CZ 3.88Å; D130-R132 IonicContact OD2-NE 3.13Å; D130-R132 IonicContact OD2-NH1 2.66Å
131	G	92.1	Very high	97.1	Very high	11 Å²	11	43.5 Å²	43.5	11%	0.113	22%	0.215	C	C	.	.			trans	72.6	4.9	-177.9	0	0	0	0	0	114.3	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.48Å; G128-G131 PolarHBondContact O-N 2.92Å; P129-G131 PolarHBondContact O-N 3.45Å; G131-V189 WeakPolarHBondContact O-CG1 3.41Å; G131-R193 VanDerWaalsContact C-NH2 3.28Å; G131-R193 PolarHBondContact O-NE 3.11Å; G131-R193 PolarHBondContact O-NH2 3.08Å
132	R	95.3	Very high	97.1	Very high	172 Å²	172	43.9 Å²	43.9	65%	0.649	22%	0.216	S	C	*	.			trans	-78.7	150.1	179.6	-64.7	-174.8	-176.7	163.5	-2.7	111.1	V127 G128 D130 L134	V127-R132 WeakPolarHBondContact CA-O 3.49Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; G128-R132 PolarHBondContact N-O 3.3Å; D130-R132 PolarHBondContact O-N 3.49Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 PolarHBondContact OD1-N 2.88Å; D130-R132 WeakPolarHBondContact OD2-CD 3.38Å; D130-R132 WeakPolarHBondContact OD2-CG 3.29Å; D130-R132 IonicContact OD2-CZ 3.88Å; D130-R132 IonicContact OD2-NE 3.13Å; D130-R132 IonicContact OD2-NH1 2.66Å; R132-L134 PolarHBondContact O-N 2.88Å
133	L	97.4	Very high	97.1	Very high	50 Å²	50	45.9 Å²	45.9	26%	0.262	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	123.4	175.8	-175.1	71.7	0	0	0	109.9	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.6Å; L133-R135 WeakPolarHBondContact CD1-O 3.28Å; L133-L154 HydrophobicContact CD2-CD1 4.09Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.63Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å; L133-V189 HydrophobicContact CG-CG2 4.49Å
134	L	97.1	Very high	97	Very high	113 Å²	113	47.2 Å²	47.2	59%	0.592	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	-44.7	168.1	-64.8	178.6	0	0	0	110.7	D126 R132	D126-L134 PolarHBondContact O-N 2.87Å; R132-L134 PolarHBondContact O-N 2.88Å
135	R	97	Very high	97	Very high	105 Å²	105	54.9 Å²	54.9	40%	0.396	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	137.7	-176	-172.2	172.4	175.8	138.9	8.9	111.7	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 3.32Å; D126-R135 PolarHBondContact O-N 3.33Å; L133-R135 WeakPolarHBondContact CD1-O 3.28Å; R135-H137 WeakPolarHBondContact CD-CE1 3.47Å; R135-H137 PolarHBondContact NE-CE1 2.92Å; R135-E152 IonicContact CZ-OE1 3.24Å; R135-E152 IonicContact NH1-OE1 3.54Å; R135-E152 PolarHBondContact NH1-OE1 3.4Å; R135-E152 IonicContact NH2-OE1 3.06Å; R135-E152 PolarHBondContact NH2-OE1 2.8Å
136	G	98.1	Very high	97	Very high	5 Å²	5	61 Å²	61	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	148	167.8	0	0	0	0	0	110.8
137	H	98.2	Very high	97	Very high	21 Å²	21	60.5 Å²	60.5	10%	0.097	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139	-179.4	-56.7	-94.8	0	0	0	110.1	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.44Å; R30-H137 VanDerWaalsContact NH2-NE2 3.15Å; M122-H137 HydrophobicContact CE-CB 3.87Å; M122-H137 HydrophobicContact SD-CB 4.01Å; Y123-H137 CarbonylContact C-O 3.52Å; Y123-H137 WeakPolarHBondContact CA-O 3.48Å; Y123-H137 VanDerWaalsContact CB-O 3.26Å; Y123-H137 WeakPolarHBondContact CB-O 3.46Å; G124-H137 PolarHBondContact N-O 3.48Å; G124-H137 PolarHBondContact O-N 3.45Å; D126-H137 IonicContact OD1-CD2 2.91Å; D126-H137 IonicContact OD1-NE2 3.36Å; D126-H137 IonicContact OD2-CD2 2.94Å; D126-H137 IonicContact OD2-CE1 3.5Å; D126-H137 IonicContact OD2-NE2 3.73Å; D126-H137 PolarHBondContact OD2-NE2 3.29Å; R135-H137 WeakPolarHBondContact CD-CE1 3.47Å; R135-H137 PolarHBondContact NE-CE1 2.92Å
138	N	98.6	Very high	97.1	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.043	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	110.1	165.4	-174.8	-80.7	0	0	0	108.5	M122 Y140 L150 L180	M122-N138 WeakPolarHBondContact O-CA 3.4Å; N138-Y140 VanDerWaalsContact OD1-CE2 3.28Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.36Å; N138-L150 HydrophobicContact CB-CB 3.94Å; N138-L150 HydrophobicContact CB-CD2 4.11Å; N138-L150 WeakPolarHBondContact O-CB 3.44Å; N138-L150 PolarHBondContact O-N 3.17Å; N138-L180 HydrophobicContact CB-CD1 4.26Å
139	Q	98.6	Very high	97.3	Very high	83 Å²	83	61.9 Å²	61.9	39%	0.388	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.3	-175.5	65.4	-168.9	34.6	0	0	111.5	S121 M122 I148 A149	S121-Q139 CarbonylContact C-O 3.58Å; S121-Q139 WeakPolarHBondContact CA-O 3.45Å; S121-Q139 WeakPolarHBondContact CB-O 3.49Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 4.08Å; M122-Q139 PolarHBondContact N-O 3.37Å; M122-Q139 PolarHBondContact O-N 3Å; Q139-I148 WeakPolarHBondContact CA-O 3.35Å; Q139-A149 HydrophobicContact CB-CB 3.93Å
140	Y	98.7	Very high	97.6	Very high	43 Å²	43	57.7 Å²	57.7	17%	0.169	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145	-179.2	-70.1	-103.7	0	0	0	110.6	Y98 L119 Q120 N138 Y147 I148 W171	Y98-Y140 HydrophobicContact CE1-CE1 4.45Å; Y98-Y140 AromaticContact CZ-CE1 3.96Å; Y98-Y140 WeakPolarHBondContact OH-CE1 3.18Å; L119-Y140 HydrophobicContact CD1-CD1 4.47Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 VanDerWaalsContact O-CA 3.27Å; Q120-Y140 WeakPolarHBondContact O-CA 3.45Å; N138-Y140 VanDerWaalsContact OD1-CE2 3.28Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.36Å; Y140-Y147 WeakPolarHBondContact O-CB 3.26Å; Y140-Y147 PolarHBondContact O-N 3.06Å; Y140-I148 HydrophobicContact CD2-CG2 4.19Å; Y140-I148 HydrophobicContact CG-CG2 4.47Å; Y140-I148 PolarHBondContact N-O 3.42Å; Y140-I148 PolarHBondContact O-N 2.83Å; Y140-W171 AromaticContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CZ3 4.39Å; Y140-W171 AromaticContact CE2-CH2 3.53Å; Y140-W171 HydrophobicContact CE2-CH2 3.53Å; Y140-W171 HydrophobicContact CE2-CZ3 4.23Å
141	A	98.8	Very high	97.9	Very high	16 Å²	16	55.2 Å²	55.2	13%	0.132	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.3	173.6	0	0	0	0	0	110.6	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 2.83Å; Q120-A141 PolarHBondContact O-N 3.25Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.4Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.42Å
142	Y	98.7	Very high	98.1	Very high	13 Å²	13	61.1 Å²	61.1	5%	0.051	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.9	176.6	-175.3	-114	0	0	0	109.8	L102 A105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.16Å; A105-Y142 HydrophobicContact CB-CD1 4.5Å; A105-Y142 HydrophobicContact CB-CD2 3.94Å; A105-Y142 HydrophobicContact CB-CE1 4.1Å; A105-Y142 HydrophobicContact CB-CE2 3.48Å; A105-Y142 VanDerWaalsContact CB-CE2 3.48Å; A105-Y142 HydrophobicContact CB-CG 4.42Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CG 4.37Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Q111-Y142 PolarHBondContact OE1-OH 3.23Å; H117-Y142 HydrophobicContact CB-CE2 3.98Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.87Å; H117-Y142 PolarHBondContact ND1-OH 3.18Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.33Å; T118-Y142 WeakPolarHBondContact O-CD2 3.26Å; L119-Y142 HydrophobicContact CD1-CD2 4.39Å; Y142-G144 PolarHBondContact O-N 3.24Å; Y142-K145 PolarHBondContact N-O 3.25Å; Y142-K145 PolarHBondContact O-N 2.91Å
143	D	98.2	Very high	98.2	Very high	61 Å²	61	56.8 Å²	56.8	33%	0.326	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40	-174.5	-66.6	-22.8	0	0	0	113.5	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 WeakPolarHBondContact CB-OD1 3.39Å; H117-D143 IonicContact CE1-OD2 2.68Å; H117-D143 IonicContact CG-OD1 3.26Å; H117-D143 IonicContact CG-OD2 3.57Å; H117-D143 IonicContact ND1-OD1 2.76Å; H117-D143 PolarHBondContact ND1-OD1 3.15Å; H117-D143 IonicContact ND1-OD2 3.7Å; H117-D143 PolarHBondContact ND1-OD2 3.03Å; T118-D143 PolarHBondContact N-OD1 2.94Å; T118-D143 PolarHBondContact O-N 3.33Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 3.06Å
144	G	97.5	Very high	98.2	Very high	58 Å²	58	54.8 Å²	54.8	60%	0.598	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	7.7	178.2	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 3.24Å
145	K	98.5	Very high	98.3	Very high	162 Å²	162	52.8 Å²	52.8	70%	0.704	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.3	175.7	-62.4	-179.6	-178.2	178.4	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.4Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.42Å; Y142-K145 PolarHBondContact N-O 3.25Å; Y142-K145 PolarHBondContact O-N 2.91Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 3.06Å; K145-Y147 PolarHBondContact O-N 2.95Å
146	D	98.7	Very high	98.3	Very high	129 Å²	129	49.6 Å²	49.6	69%	0.69	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	136.4	174.7	-66.6	-25.6	0	0	0	110.8	A160	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.43Å
147	Y	98.8	Very high	98.4	Very high	19 Å²	19	50 Å²	50	8%	0.075	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-64.8	179.2	-178.9	-108.3	0	0	0	110.1	Y108 Y109 Y140 K145 A160 A163 A164 T167	Y108-Y147 WeakPolarHBondContact CD2-OH 3.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.29Å; Y109-Y147 AromaticContact CE2-CE2 3.96Å; Y109-Y147 HydrophobicContact CE2-CE2 3.96Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; Y140-Y147 WeakPolarHBondContact O-CB 3.26Å; Y140-Y147 PolarHBondContact O-N 3.06Å; K145-Y147 PolarHBondContact O-N 2.95Å; Y147-A160 WeakPolarHBondContact O-CB 3.5Å; Y147-A160 PolarHBondContact O-N 2.87Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 2.86Å; Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.78Å; Y147-A164 HydrophobicContact CG-CB 4.25Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 PolarHBondContact OH-OG1 3.31Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141.7	178.3	-163.1	172.3	0	0	0	110.3	Q139 Y140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.35Å; Y140-I148 HydrophobicContact CD2-CG2 4.19Å; Y140-I148 HydrophobicContact CG-CG2 4.47Å; Y140-I148 PolarHBondContact N-O 3.42Å; Y140-I148 PolarHBondContact O-N 2.83Å; I148-W157 HydrophobicContact CD1-CB 4.3Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.16Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.42Å; I148-W157 HydrophobicContact CG1-CE3 4.05Å; I148-T158 WeakPolarHBondContact CA-O 3.4Å; I148-T167 HydrophobicContact CD1-CG2 4.15Å; I148-Q168 HydrophobicContact CD1-CB 3.86Å; I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.29Å; I148-W171 HydrophobicContact CG2-CH2 4.06Å; I148-W171 HydrophobicContact CG2-CZ3 3.73Å
149	A	98.8	Very high	98.4	Very high	30 Å²	30	53.4 Å²	53.4	25%	0.248	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.4	178	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.93Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; A149-T158 PolarHBondContact N-O 2.74Å; A149-T158 PolarHBondContact O-N 3.46Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.9	168	-175.7	68	0	0	0	108.5	N138 L154 W157 A177 L180 L184	N138-L150 HydrophobicContact CB-CB 3.94Å; N138-L150 HydrophobicContact CB-CD2 4.11Å; N138-L150 WeakPolarHBondContact O-CB 3.44Å; N138-L150 PolarHBondContact O-N 3.17Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.2Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-A177 HydrophobicContact CD1-CB 4.05Å; L150-L180 HydrophobicContact CD2-CB 4.23Å; L150-L180 HydrophobicContact CD2-CD1 4.42Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å
151	N	98.6	Very high	98.4	Very high	43 Å²	43	52.9 Å²	52.9	23%	0.23	31%	0.311	C	S	.	.			trans	-72.8	163.6	179.9	-67.5	-27.9	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.93Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 3.15Å; N151-S156 WeakPolarHBondContact CB-O 3.18Å; N151-S156 WeakPolarHBondContact CB-OG 3.45Å; N151-S156 PolarHBondContact N-O 2.73Å; N151-S156 PolarHBondContact ND2-OG 3.1Å; N151-T158 PolarHBondContact ND2-OG1 3.15Å; N151-T158 WeakPolarHBondContact OD1-CB 3.34Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
152	E	97.5	Very high	98.3	Very high	136 Å²	136	57.4 Å²	57.4	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.3	-178.6	-66.8	-179	-174.9	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 3.24Å; R135-E152 IonicContact NH1-OE1 3.54Å; R135-E152 PolarHBondContact NH1-OE1 3.4Å; R135-E152 IonicContact NH2-OE1 3.06Å; R135-E152 PolarHBondContact NH2-OE1 2.8Å; E152-L154 PolarHBondContact O-N 2.83Å
153	D	97.5	Very high	98.3	Very high	80 Å²	80	57 Å²	57	43%	0.428	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.9	174.7	68.2	22.3	0	0	0	114.1	N151 S155 S156	N151-D153 PolarHBondContact O-N 2.93Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-S155 PolarHBondContact O-N 3.01Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.23Å; D153-S155 PolarHBondContact OD1-N 2.79Å; D153-S155 PolarHBondContact OD1-OG 2.76Å; D153-S155 PolarHBondContact OD2-OG 2.8Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.84Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.76Å
154	L	98	Very high	98.3	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.047	32%	0.321	C	S	.	.	S	Bend	trans	53.6	28.3	-177.1	-52.4	-178.2	0	0	0	114.1	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.09Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; N151-L154 PolarHBondContact O-N 3.15Å; E152-L154 PolarHBondContact O-N 2.83Å; L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.96Å; L154-R181 HydrophobicContact CD1-CG 4.32Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L154-E185 HydrophobicContact CD1-CG 4.27Å
155	S	97.8	Very high	98.4	Very high	71 Å²	71	54.9 Å²	54.9	50%	0.497	31%	0.309	S	S	.	.	S	Bend	trans	-139.1	-24.9	-175	69	0	0	0	0	113.5	D153	D153-S155 PolarHBondContact O-N 3.01Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.23Å; D153-S155 PolarHBondContact OD1-N 2.79Å; D153-S155 PolarHBondContact OD1-OG 2.76Å; D153-S155 PolarHBondContact OD2-OG 2.8Å
156	S	98.1	Very high	98.4	Very high	38 Å²	38	50 Å²	50	27%	0.266	29%	0.29	S	S	.	.			trans	-120.3	164.1	-178.4	69.6	0	0	0	0	112.3	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.18Å; N151-S156 WeakPolarHBondContact CB-OG 3.45Å; N151-S156 PolarHBondContact N-O 2.73Å; N151-S156 PolarHBondContact ND2-OG 3.1Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.84Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.76Å
157	W	98.7	Very high	98.4	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.045	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.2	-174.4	-61.5	94.8	0	0	0	111.5	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.3Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.16Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.42Å; I148-W157 HydrophobicContact CG1-CE3 4.05Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.2Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; W157-Q168 HydrophobicContact CB-CG 4.02Å; W157-Q168 PolarHBondContact O-NE2 2.92Å; W157-W171 AromaticContact CD2-CE3 3.99Å; W157-W171 HydrophobicContact CD2-CE3 3.99Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CH2-CD2 4.34Å; W157-W171 AromaticContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CH2 4.44Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CB 4.47Å; W157-W171 HydrophobicContact CZ2-CD2 4.3Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.04Å; W157-W171 AromaticContact CZ3-CE3 3.45Å; W157-W171 HydrophobicContact CZ3-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.45Å; W157-W171 AromaticContact CZ3-CZ3 3.26Å; W157-W171 HydrophobicContact CZ3-CZ3 3.26Å; W157-V176 HydrophobicContact CH2-CG1 4.44Å; W157-V176 HydrophobicContact CZ2-CB 4.28Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.89Å; W157-L180 HydrophobicContact CZ3-CD1 4.44Å
158	T	98.7	Very high	98.4	Very high	79 Å²	79	45.7 Å²	45.7	49%	0.485	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.8	166.4	-65.2	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.4Å; A149-T158 PolarHBondContact N-O 2.74Å; A149-T158 PolarHBondContact O-N 3.46Å; N151-T158 PolarHBondContact ND2-OG1 3.15Å; N151-T158 WeakPolarHBondContact OD1-CB 3.34Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
159	A	98.7	Very high	98.4	Very high	22 Å²	22	53 Å²	53	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.6	174.5	0	0	0	0	0	110.6	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.77Å; A159-Q165 HydrophobicContact CB-CG 3.96Å; A159-Q168 HydrophobicContact CB-CB 4.43Å
160	A	98.5	Very high	98.3	Very high	62 Å²	62	57.1 Å²	57.1	51%	0.512	31%	0.307	S	S	.	.	S	Bend	trans	-75.5	-30.2	-176.6	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 WeakPolarHBondContact O-CB 3.5Å; Y147-A160 PolarHBondContact O-N 2.87Å
161	D	98.3	Very high	98.3	Very high	54 Å²	54	59 Å²	59	29%	0.289	31%	0.313	S	S	.	.	S	Bend	trans	-151	-177.1	-178.3	66.8	30.7	0	0	0	113	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 2.85Å; Y109-D161 PolarHBondContact OH-OD2 2.96Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.04Å; D161-A163 WeakPolarHBondContact OD1-CA 3.21Å; D161-A163 WeakPolarHBondContact OD1-CB 3.49Å; D161-A163 PolarHBondContact OD1-N 2.82Å; D161-A164 PolarHBondContact O-N 3.32Å; D161-A164 PolarHBondContact OD1-N 2.83Å; D161-Q165 WeakPolarHBondContact O-CG 3.47Å; D161-Q165 PolarHBondContact O-N 3.03Å
162	T	98.2	Very high	98.3	Very high	111 Å²	111	61.5 Å²	61.5	68%	0.681	32%	0.323	S	S	*	.	H	α-helix	trans	-66.1	-26.7	-179.1	52.1	0	0	0	0	114
163	A	98	Very high	98.4	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-72.5	-45.1	175.2	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.4Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 2.86Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.04Å; D161-A163 WeakPolarHBondContact OD1-CA 3.21Å; D161-A163 WeakPolarHBondContact OD1-CB 3.49Å; D161-A163 PolarHBondContact OD1-N 2.82Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.03Å; A163-I166 VanDerWaalsContact O-CB 3.29Å; A163-I166 WeakPolarHBondContact O-CB 2.95Å; A163-I166 PolarHBondContact O-N 3.35Å
164	A	98.4	Very high	98.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-33.4	174.4	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.78Å; Y147-A164 HydrophobicContact CG-CB 4.25Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; A159-A164 HydrophobicContact CB-CB 3.77Å; D161-A164 PolarHBondContact O-N 3.32Å; D161-A164 PolarHBondContact OD1-N 2.83Å; A164-I166 PolarHBondContact O-N 3.01Å; A164-T167 WeakPolarHBondContact O-CA 3.41Å; A164-T167 WeakPolarHBondContact O-CB 3.42Å; A164-T167 PolarHBondContact O-N 3.21Å; A164-Q168 PolarHBondContact O-N 2.85Å
165	Q	98.7	Very high	98.4	Very high	74 Å²	74	65.9 Å²	65.9	35%	0.346	36%	0.359	S	S	.	.	H	α-helix	trans	-59.4	-28.3	173.2	-74.1	174.7	12.6	0	0	113	A159 D161 A163 Q168 R169	A159-Q165 HydrophobicContact CB-CG 3.96Å; D161-Q165 WeakPolarHBondContact O-CG 3.47Å; D161-Q165 PolarHBondContact O-N 3.03Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.03Å; Q165-Q168 PolarHBondContact O-N 3.37Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3.35Å; Q165-R169 VanDerWaalsContact O-N 3.09Å
166	I	98.4	Very high	98.4	Very high	61 Å²	61	63.9 Å²	63.9	31%	0.313	34%	0.343	S	S	.	.	H	α-helix	trans	-67.2	-43.3	174.2	-55.9	171.4	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CE1-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CG2 4.02Å; Y108-I166 HydrophobicContact CE2-CB 4.06Å; Y108-I166 HydrophobicContact CE2-CG2 4.05Å; Y108-I166 HydrophobicContact CG-CD1 4.28Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.4Å; A163-I166 VanDerWaalsContact O-CB 3.29Å; A163-I166 WeakPolarHBondContact O-CB 2.95Å; A163-I166 PolarHBondContact O-N 3.35Å; A164-I166 PolarHBondContact O-N 3.01Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 2.87Å
167	T	98.4	Very high	98.4	Very high	17 Å²	17	62.1 Å²	62.1	10%	0.104	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-45.6	174	-67.9	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 PolarHBondContact OH-OG1 3.31Å; I148-T167 HydrophobicContact CD1-CG2 4.15Å; A164-T167 WeakPolarHBondContact O-CA 3.41Å; A164-T167 WeakPolarHBondContact O-CB 3.42Å; A164-T167 PolarHBondContact O-N 3.21Å; T167-R169 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.48Å; T167-K170 PolarHBondContact O-N 3.42Å; T167-K170 VanDerWaalsContact O-N 3.11Å; T167-W171 HydrophobicContact CG2-CD2 3.7Å; T167-W171 HydrophobicContact CG2-CE3 4.14Å; T167-W171 HydrophobicContact CG2-CG 4.11Å; T167-W171 HydrophobicContact CG2-CH2 4.29Å; T167-W171 HydrophobicContact CG2-CZ2 3.86Å; T167-W171 HydrophobicContact CG2-CZ3 4.41Å; T167-W171 PolarHBondContact O-N 2.87Å
168	Q	98.7	Very high	98.4	Very high	39 Å²	39	66.1 Å²	66.1	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-52.2	-53.3	177.7	176.7	174.4	5.4	0	0	111.7	I148 W157 A159 A164 Q165 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.86Å; W157-Q168 HydrophobicContact CB-CG 4.02Å; W157-Q168 PolarHBondContact O-NE2 2.92Å; A159-Q168 HydrophobicContact CB-CB 4.43Å; A164-Q168 PolarHBondContact O-N 2.85Å; Q165-Q168 PolarHBondContact O-N 3.37Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.6Å; Q168-W171 PolarHBondContact O-N 3.2Å; Q168-W171 VanDerWaalsContact O-N 3.08Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.39Å; Q168-E172 PolarHBondContact NE2-OE1 3.44Å; Q168-E172 WeakPolarHBondContact O-CB 3.5Å; Q168-E172 WeakPolarHBondContact O-CG 3.47Å; Q168-E172 PolarHBondContact O-N 3.04Å
169	R	98.7	Very high	98.4	Very high	156 Å²	156	68.8 Å²	68.8	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-59.1	-38.5	179.6	-68	171	-165.1	158.2	8.1	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3.35Å; Q165-R169 VanDerWaalsContact O-N 3.09Å; T167-R169 PolarHBondContact O-N 2.85Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.33Å; R169-A173 PolarHBondContact O-N 3.15Å
170	K	98.4	Very high	98.3	Very high	118 Å²	118	69.3 Å²	69.3	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176.2	-73	178	176	-175.6	0	111.4	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.85Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 2.87Å; T167-K170 WeakPolarHBondContact O-CB 3.48Å; T167-K170 PolarHBondContact O-N 3.42Å; T167-K170 VanDerWaalsContact O-N 3.11Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.6Å; K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 2.7Å
171	W	98.4	Very high	98.3	Very high	53 Å²	53	71.4 Å²	71.4	20%	0.201	35%	0.352	C	S	.	.	H	α-helix	trans	-72.6	-36.6	-178.6	-76	6.9	0	0	0	113	Y140 I148 W157 T167 Q168 A174 R175 V176	Y140-W171 AromaticContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CZ3 4.39Å; Y140-W171 AromaticContact CE2-CH2 3.53Å; Y140-W171 HydrophobicContact CE2-CH2 3.53Å; Y140-W171 HydrophobicContact CE2-CZ3 4.23Å; I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.29Å; I148-W171 HydrophobicContact CG2-CH2 4.06Å; I148-W171 HydrophobicContact CG2-CZ3 3.73Å; W157-W171 AromaticContact CD2-CE3 3.99Å; W157-W171 HydrophobicContact CD2-CE3 3.99Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CH2-CD2 4.34Å; W157-W171 AromaticContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CH2 4.44Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CB 4.47Å; W157-W171 HydrophobicContact CZ2-CD2 4.3Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.04Å; W157-W171 AromaticContact CZ3-CE3 3.45Å; W157-W171 HydrophobicContact CZ3-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.45Å; W157-W171 AromaticContact CZ3-CZ3 3.26Å; W157-W171 HydrophobicContact CZ3-CZ3 3.26Å; T167-W171 HydrophobicContact CG2-CD2 3.7Å; T167-W171 HydrophobicContact CG2-CE3 4.14Å; T167-W171 HydrophobicContact CG2-CG 4.11Å; T167-W171 HydrophobicContact CG2-CH2 4.29Å; T167-W171 HydrophobicContact CG2-CZ2 3.86Å; T167-W171 HydrophobicContact CG2-CZ3 4.41Å; T167-W171 PolarHBondContact O-N 2.87Å; Q168-W171 PolarHBondContact O-N 3.2Å; Q168-W171 VanDerWaalsContact O-N 3.08Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.61Å; W171-R175 PolarHBondContact O-N 2.83Å; W171-V176 HydrophobicContact CB-CB 3.95Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CG1 4.25Å; W171-V176 HydrophobicContact CG-CB 4.08Å; W171-V176 HydrophobicContact CG-CG1 4.32Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 2.88Å
172	E	98.6	Very high	98.3	Very high	95 Å²	95	72 Å²	72	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-48.2	171.1	-72.2	169.3	172.5	0	0	110.9	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.39Å; Q168-E172 PolarHBondContact NE2-OE1 3.44Å; Q168-E172 WeakPolarHBondContact O-CB 3.5Å; Q168-E172 WeakPolarHBondContact O-CG 3.47Å; Q168-E172 PolarHBondContact O-N 3.04Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.41Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 VanDerWaalsContact O-N 3.15Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	69.6 Å²	69.6	73%	0.727	34%	0.343	S	S	*	.	H	α-helix	trans	-61.6	-35.1	177.2	0	0	0	0	0	112.7	R169	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.33Å; R169-A173 PolarHBondContact O-N 3.15Å
174	A	98.3	Very high	98.4	Very high	58 Å²	58	69.5 Å²	69.5	48%	0.479	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.1	179	0	0	0	0	0	114.2	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 2.7Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.61Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.41Å; A174-V176 VanDerWaalsContact C-N 3.3Å; A174-V176 HydrophobicContact CB-CG2 4.03Å; A174-V176 PolarHBondContact O-N 3.03Å
175	R	98.1	Very high	98.3	Very high	171 Å²	171	73.7 Å²	73.7	65%	0.645	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	45.7	179.5	-66.3	-171.9	-178.2	-147.7	3.1	113.3	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.83Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 VanDerWaalsContact O-N 3.15Å; R175-A177 VanDerWaalsContact C-N 3.32Å; R175-E178 WeakPolarHBondContact CA-OE2 3.44Å; R175-E178 WeakPolarHBondContact CB-OE2 3.39Å; R175-E178 WeakPolarHBondContact CD-OE1 3.11Å; R175-E178 WeakPolarHBondContact CG-OE1 3.25Å; R175-E178 VanDerWaalsContact O-OE2 3.12Å
176	V	98.4	Very high	98.3	Very high	29 Å²	29	71.1 Å²	71.1	18%	0.176	35%	0.354	C	S	.	.	H	α-helix	trans	-70	-32.9	-178.2	176.3	0	0	0	0	111.1	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.44Å; W157-V176 HydrophobicContact CZ2-CB 4.28Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W171-V176 HydrophobicContact CB-CB 3.95Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CG1 4.25Å; W171-V176 HydrophobicContact CG-CB 4.08Å; W171-V176 HydrophobicContact CG-CG1 4.32Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 2.88Å; A174-V176 VanDerWaalsContact C-N 3.3Å; A174-V176 HydrophobicContact CB-CG2 4.03Å; A174-V176 PolarHBondContact O-N 3.03Å; V176-E178 VanDerWaalsContact C-N 3.32Å; V176-E178 PolarHBondContact O-N 2.81Å; V176-Q179 PolarHBondContact O-N 3.41Å; V176-L180 HydrophobicContact CG1-CD1 3.97Å; V176-L180 HydrophobicContact CG1-CG 4.28Å; V176-L180 WeakPolarHBondContact O-CG 3.21Å; V176-L180 PolarHBondContact O-N 3.34Å
177	A	98.4	Very high	98.3	Very high	2 Å²	2	73.1 Å²	73.1	2%	0.017	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-41	179.5	0	0	0	0	0	111.5	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4.05Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; R175-A177 VanDerWaalsContact C-N 3.32Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.41Å; A177-L180 PolarHBondContact O-N 3.39Å; A177-R181 VanDerWaalsContact O-CB 3.26Å; A177-R181 WeakPolarHBondContact O-CB 3.27Å; A177-R181 PolarHBondContact O-N 3.29Å
178	E	98.1	Very high	98.3	Very high	96 Å²	96	72.3 Å²	72.3	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-63.3	-37.4	178	-63.9	96.2	136.8	0	0	112.7	R175 V176 A182	R175-E178 WeakPolarHBondContact CA-OE2 3.44Å; R175-E178 WeakPolarHBondContact CB-OE2 3.39Å; R175-E178 WeakPolarHBondContact CD-OE1 3.11Å; R175-E178 WeakPolarHBondContact CG-OE1 3.25Å; R175-E178 VanDerWaalsContact O-OE2 3.12Å; V176-E178 VanDerWaalsContact C-N 3.32Å; V176-E178 PolarHBondContact O-N 2.81Å; E178-A182 WeakPolarHBondContact O-CB 3.4Å; E178-A182 PolarHBondContact O-N 3.48Å
179	Q	97.6	Very high	98.3	Very high	134 Å²	134	70.7 Å²	70.7	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-67.7	-44.2	176.2	-62.1	177.8	32.9	0	0	111.5	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 3.41Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.41Å; Q179-A182 PolarHBondContact O-N 3.4Å; Q179-Y183 PolarHBondContact O-N 3.28Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å
180	L	98.1	Very high	98.2	Very high	33 Å²	33	69 Å²	69	17%	0.173	35%	0.352	C	S	.	.	H	α-helix	trans	-65.7	-42.5	177.6	-70.5	173.3	0	0	0	111.4	N138 L150 W157 V176 A177 A182 Y183 L184	N138-L180 HydrophobicContact CB-CD1 4.26Å; L150-L180 HydrophobicContact CD2-CB 4.23Å; L150-L180 HydrophobicContact CD2-CD1 4.42Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.89Å; W157-L180 HydrophobicContact CZ3-CD1 4.44Å; V176-L180 HydrophobicContact CG1-CD1 3.97Å; V176-L180 HydrophobicContact CG1-CG 4.28Å; V176-L180 WeakPolarHBondContact O-CG 3.21Å; V176-L180 PolarHBondContact O-N 3.34Å; A177-L180 PolarHBondContact O-N 3.39Å; L180-A182 PolarHBondContact O-N 2.92Å; L180-Y183 PolarHBondContact O-N 2.85Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 WeakPolarHBondContact O-CG 3.33Å; L180-L184 PolarHBondContact O-N 3.19Å
181	R	98.3	Very high	98.2	Very high	107 Å²	107	64.8 Å²	64.8	40%	0.404	34%	0.337	S	S	.	.	H	α-helix	trans	-57.6	-48.2	174.6	-178	178.8	175.6	161.7	11.9	111.5	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.96Å; L154-R181 HydrophobicContact CD1-CG 4.32Å; A177-R181 VanDerWaalsContact O-CB 3.26Å; A177-R181 WeakPolarHBondContact O-CB 3.27Å; A177-R181 PolarHBondContact O-N 3.29Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 3.23Å; R181-L184 PolarHBondContact O-N 2.84Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 WeakPolarHBondContact CG-OE2 3.36Å; R181-E185 IonicContact CZ-OE1 2.88Å; R181-E185 IonicContact CZ-OE2 3.85Å; R181-E185 VanDerWaalsContact NE-CD 3.28Å; R181-E185 IonicContact NE-OE1 2.64Å; R181-E185 PolarHBondContact NE-OE1 3.09Å; R181-E185 IonicContact NE-OE2 2.79Å; R181-E185 PolarHBondContact NE-OE2 2.95Å; R181-E185 IonicContact NH2-OE1 3.6Å; R181-E185 PolarHBondContact NH2-OE1 3.17Å; R181-E185 IonicContact NH2-OE2 2.99Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 PolarHBondContact O-N 2.04Å
182	A	98.4	Very high	98.2	Very high	66 Å²	66	62.2 Å²	62.2	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-39.2	178	0	0	0	0	0	112.4	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.4Å; E178-A182 PolarHBondContact O-N 3.48Å; Q179-A182 PolarHBondContact O-N 3.4Å; L180-A182 PolarHBondContact O-N 2.92Å; A182-G186 PolarHBondContact O-N 3.05Å; A182-G186 VanDerWaalsContact O-N 3.15Å
183	Y	98.1	Very high	98.1	Very high	61 Å²	61	63.4 Å²	63.4	24%	0.239	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-47.4	173.7	170	-97.8	0	0	0	112.4	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.89Å; Y123-Y183 HydrophobicContact CD2-CE1 3.89Å; Y123-Y183 AromaticContact CE2-CE1 3.78Å; Y123-Y183 HydrophobicContact CE2-CE1 3.78Å; Q179-Y183 PolarHBondContact O-N 3.28Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å; L180-Y183 PolarHBondContact O-N 2.85Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 3.23Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.96Å; Y183-L187 HydrophobicContact CD2-CB 3.88Å; Y183-L187 HydrophobicContact CD2-CD1 4.32Å; Y183-L187 HydrophobicContact CE2-CB 4.08Å; Y183-L187 PolarHBondContact O-N 3.32Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.2Å; Y183-C188 PolarHBondContact O-N 3.31Å
184	L	98.5	Very high	98.1	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	32%	0.317	C	S	.	.	I	π-helix	trans	-68.9	-40	-174.8	-70.8	170.2	0	0	0	112.4	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.08Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 WeakPolarHBondContact O-CG 3.33Å; L180-L184 PolarHBondContact O-N 3.19Å; R181-L184 PolarHBondContact O-N 2.84Å; L184-V189 WeakPolarHBondContact O-CG2 3.18Å
185	E	98	Very high	98.1	Very high	89 Å²	89	63 Å²	63	42%	0.416	30%	0.296	S	S	.	.	I	π-helix	trans	-78.1	-24.1	176.8	-70	178.8	160.8	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.63Å; L154-E185 HydrophobicContact CD1-CG 4.27Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 WeakPolarHBondContact CG-OE2 3.36Å; R181-E185 IonicContact CZ-OE1 2.88Å; R181-E185 IonicContact CZ-OE2 3.85Å; R181-E185 VanDerWaalsContact NE-CD 3.28Å; R181-E185 IonicContact NE-OE1 2.64Å; R181-E185 PolarHBondContact NE-OE1 3.09Å; R181-E185 IonicContact NE-OE2 2.79Å; R181-E185 PolarHBondContact NE-OE2 2.95Å; R181-E185 IonicContact NH2-OE1 3.6Å; R181-E185 PolarHBondContact NH2-OE1 3.17Å; R181-E185 IonicContact NH2-OE2 2.99Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 PolarHBondContact O-N 2.04Å
186	G	97.9	Very high	98	Very high	19 Å²	19	55.6 Å²	55.6	20%	0.196	27%	0.268	C	S	.	.	I	π-helix	trans	-108	-96.9	-177.6	0	0	0	0	0	113	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.05Å; A182-G186 VanDerWaalsContact O-N 3.15Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.96Å; G186-C188 VanDerWaalsContact C-N 3.25Å; G186-C188 PolarHBondContact O-N 3.34Å; G186-C188 VanDerWaalsContact O-N 3.13Å; G186-V189 PolarHBondContact O-N 3.15Å; G186-E190 WeakPolarHBondContact O-CG 3.06Å; G186-E190 PolarHBondContact O-N 2.91Å
187	L	97.6	Very high	98	Very high	103 Å²	103	60 Å²	60	54%	0.539	29%	0.287	S	S	.	.	I	π-helix	trans	-54.6	-35.9	-170	-72.4	174.7	0	0	0	114	Y183 S191	Y183-L187 HydrophobicContact CD2-CB 3.88Å; Y183-L187 HydrophobicContact CD2-CD1 4.32Å; Y183-L187 HydrophobicContact CE2-CB 4.08Å; Y183-L187 PolarHBondContact O-N 3.32Å; L187-S191 VanDerWaalsContact O-CB 3.25Å; L187-S191 WeakPolarHBondContact O-CB 3.44Å; L187-S191 PolarHBondContact O-N 2.84Å; L187-S191 PolarHBondContact O-OG 3.28Å
188	C	98.5	Very high	97.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-62.7	-51.1	177.9	-171.8	0	0	0	0	111	M29 C125 Y183 G186 S191 L192	M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 VanDerWaalsContact CE-O 3.26Å; M29-C188 WeakPolarHBondContact CE-O 3.35Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.2Å; C125-C188 PolarHBondContact N-SG 3.03Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.26Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.4Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.2Å; Y183-C188 PolarHBondContact O-N 3.31Å; G186-C188 VanDerWaalsContact C-N 3.25Å; G186-C188 PolarHBondContact O-N 3.34Å; G186-C188 VanDerWaalsContact O-N 3.13Å; C188-S191 PolarHBondContact O-N 2.96Å; C188-L192 WeakPolarHBondContact O-CB 3.04Å; C188-L192 PolarHBondContact O-N 3.43Å
189	V	98.5	Very high	97.8	Very high	6 Å²	6	57.9 Å²	57.9	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-43.6	179.5	172.3	0	0	0	0	111	C125 V127 G131 L133 L184 G186 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.4Å; V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 4.02Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; G131-V189 WeakPolarHBondContact O-CG1 3.41Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å; L133-V189 HydrophobicContact CG-CG2 4.49Å; L184-V189 WeakPolarHBondContact O-CG2 3.18Å; G186-V189 PolarHBondContact O-N 3.15Å; V189-L192 PolarHBondContact O-N 3.35Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 3.05Å
190	E	98.2	Very high	97.7	Very high	119 Å²	119	56.7 Å²	56.7	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-60.6	-46.1	177.1	-70.4	174.8	-179.8	0	0	112	G186 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.06Å; G186-E190 PolarHBondContact O-N 2.91Å; E190-R193 PolarHBondContact O-N 2.87Å; E190-R194 PolarHBondContact O-N 2.64Å
191	S	97.8	Very high	97.4	Very high	30 Å²	30	63.1 Å²	63.1	21%	0.21	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-45	177.9	-55.3	0	0	0	0	111.2	L187 C188 R193 R194 Y195	L187-S191 VanDerWaalsContact O-CB 3.25Å; L187-S191 WeakPolarHBondContact O-CB 3.44Å; L187-S191 PolarHBondContact O-N 2.84Å; L187-S191 PolarHBondContact O-OG 3.28Å; C188-S191 PolarHBondContact O-N 2.96Å; S191-R193 PolarHBondContact O-N 3.16Å; S191-R194 WeakPolarHBondContact O-CB 3.28Å; S191-R194 PolarHBondContact O-N 2.9Å; S191-Y195 VanDerWaalsContact O-CD2 3.28Å; S191-Y195 WeakPolarHBondContact O-CD2 3.4Å; S191-Y195 PolarHBondContact O-N 2.97Å
192	L	98.4	Very high	97.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-47	177.8	174.5	53.5	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.46Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.14Å; M29-L192 HydrophobicContact CB-CG 4.29Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V127-L192 HydrophobicContact CB-CD2 4.36Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.04Å; C188-L192 PolarHBondContact O-N 3.43Å; V189-L192 PolarHBondContact O-N 3.35Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.39Å; L192-Y195 PolarHBondContact O-N 3.13Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 3.97Å; L192-L196 HydrophobicContact CG-CG 4.41Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 3.39Å
193	R	97.4	Very high	96.9	Very high	119 Å²	119	57.2 Å²	57.2	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-58.3	-44.5	175.5	-72.9	177.2	-173	173.5	2	112.1	G131 V189 E190 S191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.28Å; G131-R193 PolarHBondContact O-NE 3.11Å; G131-R193 PolarHBondContact O-NH2 3.08Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 3.05Å; E190-R193 PolarHBondContact O-N 2.87Å; S191-R193 PolarHBondContact O-N 3.16Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 3.19Å; R193-L196 PolarHBondContact O-N 3.31Å; R193-E197 PolarHBondContact O-N 3.28Å
194	R	97.4	Very high	96.6	Very high	132 Å²	132	58.7 Å²	58.7	50%	0.498	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-44.6	176.2	179.5	178.1	177	-178	-5.6	111.5	E79 E190 S191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.75Å; E79-R194 IonicContact OE1-NE 3.69Å; E79-R194 PolarHBondContact OE1-NE 3.5Å; E79-R194 VanDerWaalsContact OE1-NE 3.13Å; E79-R194 IonicContact OE1-NH1 3.71Å; E79-R194 IonicContact OE1-NH2 3.71Å; E79-R194 PolarHBondContact OE1-NH2 2.81Å; E79-R194 IonicContact OE2-CZ 3.8Å; E79-R194 VanDerWaalsContact OE2-CZ 3.24Å; E79-R194 IonicContact OE2-NH1 2.76Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 2.81Å; E190-R194 PolarHBondContact O-N 2.64Å; S191-R194 WeakPolarHBondContact O-CB 3.28Å; S191-R194 PolarHBondContact O-N 2.9Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.39Å; R194-E197 PolarHBondContact O-N 2.89Å; R194-N198 VanDerWaalsContact O-CB 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 2.87Å
195	Y	97.9	Very high	96.4	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-37.9	179.4	-60.6	-23.7	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 S191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å; V52-Y195 HydrophobicContact CG2-CD2 4.08Å; F57-Y195 HydrophobicContact CE2-CD2 4.25Å; F57-Y195 AromaticContact CE2-CE2 3.77Å; F57-Y195 HydrophobicContact CE2-CE2 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.33Å; F57-Y195 AromaticContact CZ-CE2 3.93Å; F57-Y195 HydrophobicContact CZ-CE2 3.93Å; W75-Y195 HydrophobicContact CH2-CG 4.28Å; W75-Y195 AromaticContact CZ3-CD1 3.93Å; W75-Y195 HydrophobicContact CZ3-CD1 3.93Å; W75-Y195 HydrophobicContact CZ3-CD2 4.27Å; W75-Y195 AromaticContact CZ3-CG 3.67Å; W75-Y195 HydrophobicContact CZ3-CG 3.67Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.38Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.29Å; Y83-Y195 PolarHBondContact OH-OH 3.02Å; Y83-Y195 VanDerWaalsContact OH-OH 3.07Å; S191-Y195 VanDerWaalsContact O-CD2 3.28Å; S191-Y195 WeakPolarHBondContact O-CD2 3.4Å; S191-Y195 PolarHBondContact O-N 2.97Å; L192-Y195 PolarHBondContact O-N 3.13Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 3.19Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.36Å; Y195-N198 PolarHBondContact O-N 2.87Å; Y195-G199 WeakPolarHBondContact O-CA 3.23Å; Y195-G199 PolarHBondContact O-N 2.81Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å
196	L	97.1	Very high	96.3	Very high	14 Å²	14	61.7 Å²	61.7	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-36.6	174.1	-71.4	169.8	0	0	0	112.3	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 3.97Å; L192-L196 HydrophobicContact CG-CG 4.41Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 3.39Å; R193-L196 PolarHBondContact O-N 3.31Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.03Å; L196-K200 WeakPolarHBondContact O-CB 3.49Å; L196-K200 PolarHBondContact O-N 3.48Å; L196-K200 VanDerWaalsContact O-N 3.09Å; L196-L203 HydrophobicContact CD2-CB 4.02Å; L196-L203 HydrophobicContact CD2-CD1 4.28Å; L196-Q204 HydrophobicContact CD2-CG 4.48Å; L196-Q204 PolarHBondContact O-NE2 3.04Å
197	E	96.8	Very high	96.2	Very high	121 Å²	121	62.5 Å²	62.5	57%	0.565	29%	0.294	S	S	*	.	H	α-helix	trans	-71.6	-49.4	174.8	-172.2	58.7	-151.7	0	0	111	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.28Å; R194-E197 PolarHBondContact O-N 2.89Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.36Å; E197-G199 VanDerWaalsContact C-N 3.26Å; E197-G199 PolarHBondContact O-N 2.88Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 PolarHBondContact O-N 3.28Å
198	N	97.1	Very high	96.2	Very high	51 Å²	51	60.8 Å²	60.8	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-56.5	-39.5	177.1	-78.6	1.7	0	0	0	113	W75 Q78 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.49Å; W75-N198 WeakPolarHBondContact CB-O 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 2.76Å; Q78-N198 PolarHBondContact NE2-OD1 3.46Å; R194-N198 VanDerWaalsContact O-CB 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 2.87Å; Y195-N198 PolarHBondContact O-N 2.87Å
199	G	96.2	Very high	96.2	Very high	3 Å²	3	61.2 Å²	61.2	3%	0.031	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	15.4	-175.5	0	0	0	0	0	114.1	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.23Å; Y195-G199 PolarHBondContact O-N 2.81Å; E197-G199 VanDerWaalsContact C-N 3.26Å; E197-G199 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.15Å; G199-T202 PolarHBondContact O-N 2.9Å; G199-T202 PolarHBondContact O-OG1 2.91Å; G199-L203 PolarHBondContact O-N 3.11Å
200	K	94.6	Very high	96.2	Very high	110 Å²	110	68.5 Å²	68.5	48%	0.478	32%	0.322	S	S	.	.	H	α-helix	trans	-49.9	-43	-168.9	-178.7	174.1	-175.3	173.7	0	115	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.03Å; L196-K200 WeakPolarHBondContact O-CB 3.49Å; L196-K200 PolarHBondContact O-N 3.48Å; L196-K200 VanDerWaalsContact O-N 3.09Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 PolarHBondContact O-N 3.28Å; K200-T202 PolarHBondContact O-N 2.84Å; K200-T202 VanDerWaalsContact O-N 3.17Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3.37Å
201	E	92.5	Very high	96.2	Very high	168 Å²	168	64.4 Å²	64.4	79%	0.785	31%	0.305	S	S	*	.	H	α-helix	trans	-62.5	-23.6	179.5	-62.1	-172.9	163.6	0	0	113.6	G199 R205	G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 PolarHBondContact O-NH1 2.86Å; E201-R205 VanDerWaalsContact O-NH1 3.16Å
202	T	92.7	Very high	96.2	Very high	43 Å²	43	66.7 Å²	66.7	26%	0.264	31%	0.313	S	S	.	.	H	α-helix	trans	-101.6	-69.4	177.7	55.7	0	0	0	0	110.4	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.15Å; G199-T202 PolarHBondContact O-N 2.9Å; G199-T202 PolarHBondContact O-OG1 2.91Å; K200-T202 PolarHBondContact O-N 2.84Å; K200-T202 VanDerWaalsContact O-N 3.17Å; T202-Q204 VanDerWaalsContact C-N 3.33Å; T202-Q204 PolarHBondContact O-N 3.44Å; T202-R205 WeakPolarHBondContact O-CB 3.31Å; T202-R205 PolarHBondContact O-N 3.28Å; T202-R263 VanDerWaalsContact CA-NH1 3.32Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 3.1Å; T202-R263 PolarHBondContact O-NH2 3.04Å
203	L	93.8	Very high	96.2	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-33.8	-167.5	-62	172.4	0	0	0	114	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.35Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å; L196-L203 HydrophobicContact CD2-CB 4.02Å; L196-L203 HydrophobicContact CD2-CD1 4.28Å; G199-L203 PolarHBondContact O-N 3.11Å; L203-R205 VanDerWaalsContact C-N 3.32Å
204	Q	92.6	Very high	96.1	Very high	92 Å²	92	63.6 Å²	63.6	43%	0.43	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	12.3	179.4	-59.2	-178.5	37.7	0	0	112.8	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.48Å; L196-Q204 PolarHBondContact O-NE2 3.04Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3.37Å; T202-Q204 VanDerWaalsContact C-N 3.33Å; T202-Q204 PolarHBondContact O-N 3.44Å
205	R	93.6	Very high	96.1	Very high	120 Å²	120	59.8 Å²	59.8	45%	0.453	30%	0.295	S	S	.	.			trans	-108.1	117.8	176.6	-169.7	-177.8	78.3	-144.4	3.8	110	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 2.86Å; E201-R205 VanDerWaalsContact O-NH1 3.16Å; T202-R205 WeakPolarHBondContact O-CB 3.31Å; T202-R205 PolarHBondContact O-N 3.28Å; L203-R205 VanDerWaalsContact C-N 3.32Å; R205-D207 IonicContact CZ-OD1 2.7Å; R205-D207 IonicContact CZ-OD2 3.9Å; R205-D207 IonicContact NE-OD1 3.75Å; R205-D207 PolarHBondContact NE-OD1 3.22Å; R205-D207 IonicContact NE-OD2 3.06Å; R205-D207 IonicContact NH2-OD1 3.63Å; R205-D207 IonicContact NH2-OD2 3.82Å; R205-D207 PolarHBondContact NH2-OD2 2.95Å; R205-Y233 WeakPolarHBondContact O-CD1 3.45Å
206	A	95.5	Very high	96	Very high	33 Å²	33	63.1 Å²	63.1	27%	0.273	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-86.9	127	167.3	0	0	0	0	0	110.1	Y233	A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.28Å
207	D	96.8	Very high	95.8	Very high	37 Å²	37	67.1 Å²	67.1	20%	0.198	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-98.8	117.4	175.5	-66.9	-32.6	0	0	0	107.7	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 2.7Å; R205-D207 IonicContact CZ-OD2 3.9Å; R205-D207 IonicContact NE-OD1 3.75Å; R205-D207 PolarHBondContact NE-OD1 3.22Å; R205-D207 IonicContact NE-OD2 3.06Å; R205-D207 IonicContact NH2-OD1 3.63Å; R205-D207 IonicContact NH2-OD2 3.82Å; R205-D207 PolarHBondContact NH2-OD2 2.95Å; D207-F232 WeakPolarHBondContact O-CA 3.16Å; D207-F232 WeakPolarHBondContact O-CB 3.43Å; D207-Y233 PolarHBondContact N-O 3.09Å; D207-Y233 PolarHBondContact O-N 2.9Å; D207-H287 PolarHBondContact O-CE1 2.89Å
208	P	97.6	Very high	95.6	Very high	66 Å²	66	65.8 Å²	65.8	43%	0.429	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-70.5	149.4	-176.2	25.8	-33.1	0	0	0	112.6	L290	P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.46Å
209	P	98.3	Very high	95.3	Very high	9 Å²	9	65.9 Å²	65.9	6%	0.058	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67	135.3	178.8	28.2	-35.2	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.94Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.25Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.14Å; P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.12Å; P209-L290 HydrophobicContact CG-CD1 3.84Å; P209-L290 HydrophobicContact CG-CD2 4.48Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	98.3	Very high	95	Very high	159 Å²	159	72.8 Å²	72.8	69%	0.691	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	111.8	163.7	-63	174.1	-173.1	169.9	0	108	L230	K210-L230 PolarHBondContact N-O 2.93Å; K210-L230 PolarHBondContact O-N 2.61Å
211	T	98.1	Very high	94.9	Very high	33 Å²	33	74.5 Å²	74.5	20%	0.202	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.1	-171	58.8	0	0	0	0	113.1	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.94Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.25Å; T211-W228 WeakPolarHBondContact CA-O 3.27Å; T211-A229 HydrophobicContact CG2-CB 4.31Å; T211-V285 HydrophobicContact CG2-CB 4.4Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; T211-L294 HydrophobicContact CG2-CD1 4.32Å; T211-L296 VanDerWaalsContact CB-CD1 3.44Å; T211-L296 HydrophobicContact CG2-CD1 4.16Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.37Å
212	H	97.3	Very high	95	Very high	79 Å²	79	71 Å²	71	37%	0.366	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	161.3	172.3	63	-76.4	0	0	0	110.6	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.2Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.18Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 2.78Å
213	V	98.1	Very high	95.2	Very high	21 Å²	21	69.1 Å²	69.1	13%	0.127	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.8	176.8	-179.4	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.44Å; V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.49Å; V213-C227 HydrophobicContact CG2-CB 4.45Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.8	Very high	95.4	Very high	32 Å²	32	69.9 Å²	69.9	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	150.1	172.7	63	0	0	0	0	110.8	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.38Å; T214-H216 PolarHBondContact OG1-NE2 3.44Å; T214-L225 WeakPolarHBondContact O-CA 3.44Å; T214-R226 PolarHBondContact N-O 3.06Å; T214-R226 PolarHBondContact O-N 3.12Å; T214-W228 PolarHBondContact OG1-NE1 3.47Å
215	H	96.1	Very high	95.7	Very high	52 Å²	52	65.5 Å²	65.5	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.6	-178	170.1	-84	0	0	0	109.7	V223 L225 W298	H215-V223 WeakPolarHBondContact NE2-CG1 3.45Å; H215-L225 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CD2 4.19Å; H215-W298 HydrophobicContact CB-CG 4.22Å; H215-W298 HydrophobicContact CB-CZ2 4.08Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CD2-CE2 3.87Å; H215-W298 AromaticContact CD2-CZ2 3.85Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact CG-NE1 3.98Å
216	H	95.2	Very high	95.9	Very high	78 Å²	78	62.3 Å²	62.3	36%	0.361	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	106.8	-176.8	-55	-70	0	0	0	110	T214 I218 V223 T224 R226	T214-H216 WeakPolarHBondContact CB-NE2 3.38Å; T214-H216 PolarHBondContact OG1-NE2 3.44Å; H216-I218 PolarHBondContact O-N 2.81Å; H216-V223 CarbonylContact O-C 3.59Å; H216-V223 WeakPolarHBondContact O-CA 3.35Å; H216-T224 PolarHBondContact N-O 3.23Å; H216-T224 PolarHBondContact O-N 3.49Å; H216-R226 PolarHBondContact CD2-NH1 3.29Å; H216-R226 PolarHBondContact NE2-NH1 2.84Å; H216-R226 VanDerWaalsContact NE2-NH1 3.19Å
217	P	94.1	Very high	96	Very high	97 Å²	97	60.8 Å²	60.8	63%	0.63	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	133	174.4	-20.9	31.9	0	0	0	111.4
218	I	91.4	Very high	96.1	Very high	94 Å²	94	61.2 Å²	61.2	48%	0.482	31%	0.314	S	S	.	.			trans	-101.3	-46.1	172.9	-50.1	174.4	0	0	0	109.3	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.81Å; I218-E222 PolarHBondContact N-O 3.06Å; I218-T224 VanDerWaalsContact CD1-OG1 3.27Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.45Å; I218-T224 WeakPolarHBondContact CG1-OG1 3.43Å; I218-V272 HydrophobicContact CD1-CG1 3.95Å; I218-V272 HydrophobicContact CD1-CG2 4.04Å
219	S	92.3	Very high	96.2	Very high	52 Å²	52	58.1 Å²	58.1	36%	0.364	29%	0.293	S	S	.	.	S	Bend	trans	-146.8	-178.9	177.8	72.3	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 2.96Å; S219-H221 PolarHBondContact OG-N 3.13Å; S219-E222 PolarHBondContact N-O 3.39Å; S219-E222 VanDerWaalsContact N-O 3.09Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 3.03Å
220	D	89.5	Confident	96.2	Very high	148 Å²	148	60.2 Å²	60.2	79%	0.791	30%	0.304	S	S	*	.	S	Bend	trans	-62.7	-20.4	173.2	-65.4	-21.9	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.35Å; D220-S275 PolarHBondContact O-OG 3.18Å
221	H	92.9	Very high	96.2	Very high	146 Å²	146	53.8 Å²	53.8	68%	0.676	28%	0.283	S	S	*	.	S	Bend	trans	-107.4	-15.7	-174	-56.3	-51.2	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.96Å; S219-H221 PolarHBondContact OG-N 3.13Å; H221-P274 WeakPolarHBondContact O-CA 3.3Å; H221-S275 PolarHBondContact O-N 3.49Å; H221-S275 PolarHBondContact O-OG 3.07Å
222	E	95.1	Very high	96.2	Very high	94 Å²	94	52.2 Å²	52.2	44%	0.439	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.7	-171.9	-67.5	-179.1	167.5	0	0	112.3	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.06Å; S219-E222 PolarHBondContact N-O 3.39Å; S219-E222 VanDerWaalsContact N-O 3.09Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 3.03Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.27Å; E222-V273 WeakPolarHBondContact CA-O 3.38Å; E222-S275 PolarHBondContact N-OG 3.47Å
223	V	96.5	Very high	96.1	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148	176.5	-50.2	0	0	0	0	109.6	H215 H216 V273 E278	H215-V223 WeakPolarHBondContact NE2-CG1 3.45Å; H216-V223 CarbonylContact O-C 3.59Å; H216-V223 WeakPolarHBondContact O-CA 3.35Å; V223-V273 HydrophobicContact CG2-CG2 3.29Å; V223-V273 PolarHBondContact N-O 2.81Å; V223-V273 PolarHBondContact O-N 2.87Å; V223-E278 HydrophobicContact CG2-CG 3.82Å
224	T	97.6	Very high	96.1	Very high	21 Å²	21	48.6 Å²	48.6	13%	0.129	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.9	169.5	-51.3	0	0	0	0	109.5	H216 I218 A270 V271	H216-T224 PolarHBondContact N-O 3.23Å; H216-T224 PolarHBondContact O-N 3.49Å; I218-T224 VanDerWaalsContact CD1-OG1 3.27Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.45Å; I218-T224 WeakPolarHBondContact CG1-OG1 3.43Å; T224-A270 HydrophobicContact CG2-CB 3.89Å; T224-V271 WeakPolarHBondContact CA-O 3.37Å
225	L	98.1	Very high	96.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.6	163.3	-62.2	-176.6	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.44Å; T214-L225 WeakPolarHBondContact O-CA 3.44Å; H215-L225 HydrophobicContact CB-CD2 4.11Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.29Å; L225-V271 HydrophobicContact CB-CG2 4.2Å; L225-V271 PolarHBondContact N-O 3.43Å; L225-V271 PolarHBondContact O-N 3.06Å; L225-V273 HydrophobicContact CD1-CG1 4.15Å; L225-V273 HydrophobicContact CD1-CG2 4.03Å; L225-V273 HydrophobicContact CG-CG1 4.31Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.87Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 4Å
226	R	98.3	Very high	96.1	Very high	53 Å²	53	49.8 Å²	49.8	20%	0.2	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.6	176.8	-177.1	179.5	-66	115.5	0.1	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.49Å; T214-R226 PolarHBondContact N-O 3.06Å; T214-R226 PolarHBondContact O-N 3.12Å; H216-R226 PolarHBondContact CD2-NH1 3.29Å; H216-R226 PolarHBondContact NE2-NH1 2.84Å; H216-R226 VanDerWaalsContact NE2-NH1 3.19Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 VanDerWaalsContact CD-NE1 3.35Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.07Å; R226-W268 HydrophobicContact CG-CE3 3.85Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-A269 WeakPolarHBondContact CA-O 3.48Å; R226-A270 HydrophobicContact CB-CB 4.06Å; R226-A270 HydrophobicContact CG-CB 4.15Å
227	C	98.3	Very high	96.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.5	175.1	-173	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.23Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.47Å; C227-A269 PolarHBondContact N-O 2.82Å; C227-A269 PolarHBondContact O-N 3.46Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.03Å; C227-C283 WeakPolarHBondContact SG-CB 3.41Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.26Å
228	W	98.5	Very high	96.3	Very high	47 Å²	47	44.5 Å²	44.5	18%	0.178	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.7	179.5	-70.6	89	0	0	0	110.7	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.27Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.2Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.18Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 2.78Å; T214-W228 PolarHBondContact OG1-NE1 3.47Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 VanDerWaalsContact CD-NE1 3.35Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; W228-L230 HydrophobicContact CE3-CD2 3.83Å; W228-L230 HydrophobicContact CZ3-CD2 4.37Å; W228-W268 HydrophobicContact CD2-CB 3.93Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.58Å; W228-W268 HydrophobicContact CH2-CG 4.24Å; W228-W268 HydrophobicContact CZ2-CG 4.46Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.6	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.3	162.4	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.31Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.86Å; A229-F232 WeakPolarHBondContact O-CE1 3.45Å; A229-I237 HydrophobicContact CB-CD1 3.6Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.45Å; A229-K267 PolarHBondContact N-O 2.89Å; A229-K267 PolarHBondContact O-N 2.69Å; A229-K267 VanDerWaalsContact O-O 3.11Å
230	L	98.5	Very high	96.9	Very high	54 Å²	54	39.7 Å²	39.7	28%	0.283	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.6	-174.4	-58.3	177.4	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.93Å; K210-L230 PolarHBondContact O-N 2.61Å; W228-L230 HydrophobicContact CE3-CD2 3.83Å; W228-L230 HydrophobicContact CZ3-CD2 4.37Å; L230-F232 VanDerWaalsContact C-N 3.34Å; L230-F232 PolarHBondContact O-N 3.41Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	97.9	Very high	97.3	Very high	24 Å²	24	32.7 Å²	32.7	25%	0.247	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.7	28.3	167.3	0	0	0	0	0	114.1	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; G231-F265 PolarHBondContact N-O 3.36Å
232	F	98.1	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	155.5	-179.2	60.4	-89	0	0	0	112.8	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.16Å; D207-F232 WeakPolarHBondContact O-CB 3.43Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.14Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.86Å; A229-F232 WeakPolarHBondContact O-CE1 3.45Å; L230-F232 VanDerWaalsContact C-N 3.34Å; L230-F232 PolarHBondContact O-N 3.41Å; F232-P234 VanDerWaalsContact CD2-O 3.29Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.41Å; F232-I237 HydrophobicContact CE2-CB 3.7Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.05Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3.08Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.4Å; F232-F265 HydrophobicContact CD2-CB 4.01Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.42Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.13Å; F232-F265 PolarHBondContact O-N 2.91Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.16Å; F232-H287 AromaticContact CD2-CD2 3.74Å; F232-H287 AromaticContact CD2-NE2 3.63Å
233	Y	97.1	Very high	97.6	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.016	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-150.2	136.8	172.4	177.6	-86	0	0	0	108.7	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.93Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 3.21Å; R205-Y233 WeakPolarHBondContact O-CD1 3.45Å; A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.28Å; D207-Y233 PolarHBondContact N-O 3.09Å; D207-Y233 PolarHBondContact O-N 2.9Å; Y233-R263 HydrophobicContact CD2-CG 3.99Å; Y233-R263 HydrophobicContact CE2-CG 4.17Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; Y233-H287 PolarHBondContact O-CE1 3.28Å
234	P	96.4	Very high	97.6	Very high	19 Å²	19	31 Å²	31	12%	0.123	16%	0.161	C	C	.	.	S	Bend	cis	-70.9	-176.4	2.7	30.1	-36.2	0	0	0	114.2	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; F232-P234 VanDerWaalsContact CD2-O 3.29Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-H287 PolarHBondContact O-NE2 3.4Å
235	A	97.3	Very high	97.3	Very high	16 Å²	16	32.4 Å²	32.4	13%	0.132	18%	0.18	C	C	.	.	S	Bend	trans	-72.3	-24.5	-176.9	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.27Å; D54-A235 PolarHBondContact OD2-N 3.47Å; A235-I237 PolarHBondContact O-N 2.87Å; A235-T257 HydrophobicContact CB-CG2 4.42Å; A235-F265 HydrophobicContact CB-CD1 3.79Å; A235-F265 HydrophobicContact CB-CD2 3.73Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.66Å; A235-F265 HydrophobicContact CB-CG 3.81Å; A235-F265 HydrophobicContact CB-CZ 3.66Å
236	E	96.4	Very high	97.1	Very high	94 Å²	94	39.4 Å²	39.4	44%	0.439	21%	0.212	S	C	.	.			trans	-64.3	122.7	178.5	-171.7	74.5	-162.7	0	0	110.5	W23 P234 H287	W23-E236 HydrophobicContact CE3-CB 4Å; W23-E236 HydrophobicContact CE3-CG 3.82Å; W23-E236 HydrophobicContact CH2-CB 3.96Å; W23-E236 HydrophobicContact CH2-CG 3.26Å; W23-E236 WeakPolarHBondContact CH2-OE2 3.43Å; W23-E236 HydrophobicContact CZ2-CG 4.02Å; W23-E236 HydrophobicContact CZ3-CB 3.37Å; W23-E236 HydrophobicContact CZ3-CG 3.16Å; P234-E236 VanDerWaalsContact C-N 3.32Å; E236-H287 PolarHBondContact O-CD2 2.99Å
237	I	97	Very high	96.9	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.056	23%	0.227	C	C	.	.			trans	-153.2	143.7	175.9	-163.4	170.5	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; A229-I237 HydrophobicContact CB-CD1 3.6Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.41Å; F232-I237 HydrophobicContact CE2-CB 3.7Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.05Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; A235-I237 PolarHBondContact O-N 2.87Å; I237-L239 HydrophobicContact CB-CD1 4.38Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 3.99Å; I237-K267 HydrophobicContact CG2-CB 4.18Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 3.96Å; I237-V285 HydrophobicContact CG1-CG1 4.27Å; I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.44Å; I237-H287 HydrophobicContact CD1-CB 4.39Å; I237-H287 HydrophobicContact CG1-CB 4.13Å
238	T	97.4	Very high	96.8	Very high	53 Å²	53	42.8 Å²	42.8	33%	0.325	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.1	172.6	-60.8	0	0	0	0	109.9	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; T238-Q286 PolarHBondContact N-O 2.76Å; T238-Q286 PolarHBondContact O-N 3.46Å
239	L	97.6	Very high	96.3	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.8	173.3	-86.6	63.9	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; I237-L239 HydrophobicContact CB-CD1 4.38Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 3.99Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.32Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.35Å
240	T	97.3	Very high	95.8	Very high	38 Å²	38	54.6 Å²	54.6	23%	0.233	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.7	176	59.8	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T240-C283 CarbonylContact O-C 3.41Å; T240-C283 WeakPolarHBondContact O-CA 3.15Å; T240-H284 PolarHBondContact N-O 3.34Å; T240-H284 PolarHBondContact O-N 3.11Å
241	W	98.1	Very high	95.2	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.9	168.4	-82.1	103.5	0	0	0	110.2	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.86Å; W241-A269 PolarHBondContact NE1-O 2.81Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.41Å; W241-V271 HydrophobicContact CD2-CG1 4.33Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 4Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.8Å; W241-V271 HydrophobicContact CZ2-CG2 4.27Å; W241-V271 HydrophobicContact CZ3-CG2 4.5Å; W241-T282 WeakPolarHBondContact CA-O 3.31Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å
242	Q	97.8	Very high	95.1	Very high	41 Å²	41	57.6 Å²	57.6	19%	0.192	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.3	171.9	-70.5	-174.1	-5.9	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.25Å; Q242-D247 PolarHBondContact NE2-OD1 3.42Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.24Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; Q242-T282 PolarHBondContact N-O 3.43Å; Q242-T282 PolarHBondContact O-N 3.18Å; Q242-H284 PolarHBondContact OE1-NE2 2.91Å
243	R	97.3	Very high	95	Very high	68 Å²	68	63 Å²	63	26%	0.257	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.7	169.6	-178.5	-171.1	177.3	155.2	4.2	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.99Å; R243-E246 PolarHBondContact N-O 3.43Å; R243-E246 PolarHBondContact O-N 2.69Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; R243-E277 IonicContact CZ-OE2 3.41Å; R243-E277 IonicContact NH1-OE2 3.38Å; R243-E277 IonicContact NH2-OE1 2.83Å; R243-E277 PolarHBondContact NH2-OE1 2.79Å; R243-E277 IonicContact NH2-OE2 3.13Å; R243-E277 PolarHBondContact NH2-OE2 2.82Å; R243-R280 WeakPolarHBondContact CA-O 3.15Å; R243-Y281 HydrophobicContact CB-CD1 4.03Å; R243-Y281 HydrophobicContact CB-CE1 3.79Å; R243-Y281 WeakPolarHBondContact CD-OH 3.2Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CE1 3.99Å; R243-Y281 HydrophobicContact CG-CE2 4.2Å; R243-Y281 PolarHBondContact NH1-OH 3.3Å
244	D	95.1	Very high	95	Very high	101 Å²	101	67.1 Å²	67.1	54%	0.54	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	28	-176.1	-54.6	-50.3	0	0	0	114.1	R280	D244-R280 PolarHBondContact N-O 2.86Å; D244-R280 WeakPolarHBondContact OD1-CB 3.46Å; D244-R280 IonicContact OD1-NE 3.85Å; D244-R280 PolarHBondContact OD1-NE 3.15Å; D244-R280 IonicContact OD2-CZ 3.62Å; D244-R280 IonicContact OD2-NE 3.88Å; D244-R280 PolarHBondContact OD2-NE 3.28Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 3.21Å
245	G	91.3	Very high	95	Very high	50 Å²	50	67.7 Å²	67.7	52%	0.515	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-0.1	-177.3	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 2.99Å
246	E	95.1	Very high	95	Very high	146 Å²	146	74.6 Å²	74.6	68%	0.682	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.5	176.4	-62.5	-172.2	168.5	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.26Å; R243-E246 PolarHBondContact N-O 3.43Å; R243-E246 PolarHBondContact O-N 2.69Å; E246-Q248 PolarHBondContact O-NE2 2.91Å
247	D	94.7	Very high	95.1	Very high	95 Å²	95	72.1 Å²	72.1	51%	0.508	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.9	-178.8	-69	-29.4	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.25Å; Q242-D247 PolarHBondContact NE2-OD1 3.42Å
248	Q	94.4	Very high	95.1	Very high	29 Å²	29	76.1 Å²	76.1	14%	0.136	40%	0.395	C	S	.	.			trans	-106.6	36.5	-177.1	-58.3	-60	-67.4	0	0	112.4	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.86Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; E246-Q248 PolarHBondContact O-NE2 2.91Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.49Å; Q248-D251 PolarHBondContact O-N 2.94Å; Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 2.85Å; Q248-T252 PolarHBondContact O-OG1 2.74Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å
249	T	88.2	Confident	95.1	Very high	105 Å²	105	78 Å²	78	64%	0.644	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.8	-168.8	-48.4	0	0	0	0	114.1
250	Q	88.3	Confident	95.1	Very high	190 Å²	190	80.1 Å²	80.1	89%	0.888	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-31.1	-178.4	-66.7	-174.3	1	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.49Å
251	D	87.1	Confident	94.9	Very high	118 Å²	118	82 Å²	82	63%	0.631	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	1.8	-178.1	-56.5	-54.9	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.94Å
252	T	94.6	Very high	94.7	Very high	23 Å²	23	87.1 Å²	87.1	14%	0.141	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.5	178.9	-62.1	0	0	0	0	110.7	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 2.85Å; Q248-T252 PolarHBondContact O-OG1 2.74Å; T252-L254 HydrophobicContact CG2-CB 4.46Å; T252-L254 PolarHBondContact O-N 3.43Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 WeakPolarHBondContact CA-O 3.49Å; T252-V271 HydrophobicContact CG2-CG1 4.33Å; T252-V271 VanDerWaalsContact OG1-CG1 3.22Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.28Å
253	E	96.6	Very high	94.4	Very high	114 Å²	114	88.1 Å²	88.1	53%	0.533	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	106.7	163.2	-173.3	-174.2	-173.1	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.26Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.41Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.35Å; E253-A270 HydrophobicContact CB-CB 4.44Å; E253-A270 PolarHBondContact N-O 3.48Å; E253-A270 PolarHBondContact O-N 2.87Å
254	L	96.6	Very high	94.4	Very high	90 Å²	90	85.7 Å²	85.7	47%	0.471	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.2	177.9	-173.8	68.4	0	0	0	109.8	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.46Å; T252-L254 PolarHBondContact O-N 3.43Å; L254-K267 HydrophobicContact CD1-CD 4.41Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	96.8	Very high	94.6	Very high	32 Å²	32	82.1 Å²	82.1	19%	0.194	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-84.7	153.2	175	-64.7	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.39Å; V255-K267 PolarHBondContact O-NZ 3.48Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.94Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.42Å; V255-W268 WeakPolarHBondContact CG2-O 3.07Å; V255-W268 PolarHBondContact N-O 2.92Å
256	E	97	Very high	94.9	Very high	160 Å²	160	81.9 Å²	81.9	75%	0.748	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-58	146.1	168.4	-70.8	-60.4	164.4	0	0	111.7	R258	E256-R258 PolarHBondContact O-N 2.99Å
257	T	98.1	Very high	95.1	Very high	42 Å²	42	75.7 Å²	75.7	26%	0.258	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66.8	129.9	175.4	-56.7	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; A235-T257 HydrophobicContact CB-CG2 4.42Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.04Å; T257-K267 PolarHBondContact OG1-NZ 2.89Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
258	R	97.8	Very high	95.3	Very high	96 Å²	96	72.3 Å²	72.3	36%	0.362	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145	-174.4	68.9	-169.3	-178.1	-170.3	2.1	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.99Å; R258-F265 WeakPolarHBondContact O-CA 3.25Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.32Å; R258-Q266 WeakPolarHBondContact O-CG 2.98Å; R258-Q266 PolarHBondContact O-N 2.81Å
259	P	97.6	Very high	95.5	Very high	93 Å²	93	71 Å²	71	60%	0.604	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.9	179	29.1	-34.9	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	96.8	Very high	95.9	Very high	50 Å²	50	66 Å²	66	41%	0.413	36%	0.356	S	S	.	.			trans	-88.3	-16.4	172	0	0	0	0	0	112.8	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.49Å; A260-T264 PolarHBondContact N-O 3.48Å
261	G	93.6	Very high	96.4	Very high	78 Å²	78	57.2 Å²	57.2	80%	0.804	32%	0.315	S	S	*	.	S	Bend	trans	96.5	-5.8	179.2	0	0	0	0	0	114.6
262	D	93.4	Very high	96.9	Very high	109 Å²	109	55.2 Å²	55.2	58%	0.583	31%	0.306	S	S	*	.	S	Bend	trans	-115.3	31.2	-179.4	64.5	-4.4	0	0	0	112	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; D262-T264 PolarHBondContact O-N 3.13Å; D262-T264 WeakPolarHBondContact OD1-CB 3.28Å; D262-T264 PolarHBondContact OD1-N 3Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
263	R	92.9	Very high	97	Very high	61 Å²	61	54.1 Å²	54.1	23%	0.23	30%	0.3	C	S	.	.	S	Bend	trans	75.1	-20.7	-169.6	-174.6	-176.7	173.1	-137	-11.6	115.1	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.85Å; T202-R263 VanDerWaalsContact CA-NH1 3.32Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 3.1Å; T202-R263 PolarHBondContact O-NH2 3.04Å; Y233-R263 HydrophobicContact CD2-CG 3.99Å; Y233-R263 HydrophobicContact CE2-CG 4.17Å; R263-F265 WeakPolarHBondContact O-CE2 3.26Å
264	T	97.3	Very high	96.9	Very high	17 Å²	17	51.1 Å²	51.1	10%	0.104	29%	0.29	C	S	.	.			trans	-85.7	168.5	-178.7	75.4	0	0	0	0	112.9	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3.08Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.49Å; A260-T264 PolarHBondContact N-O 3.48Å; D262-T264 PolarHBondContact O-N 3.13Å; D262-T264 WeakPolarHBondContact OD1-CB 3.28Å; D262-T264 PolarHBondContact OD1-N 3Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
265	F	98.4	Very high	96.8	Very high	27 Å²	27	49.2 Å²	49.2	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	163.9	179.8	-64.7	-88.5	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.75Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 3.36Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.4Å; F232-F265 HydrophobicContact CD2-CB 4.01Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.42Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.13Å; F232-F265 PolarHBondContact O-N 2.91Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; A235-F265 HydrophobicContact CB-CD1 3.79Å; A235-F265 HydrophobicContact CB-CD2 3.73Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.66Å; A235-F265 HydrophobicContact CB-CG 3.81Å; A235-F265 HydrophobicContact CB-CZ 3.66Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.25Å; P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.26Å; R263-F265 WeakPolarHBondContact O-CE2 3.26Å
266	Q	98.4	Very high	96.6	Very high	44 Å²	44	50.9 Å²	50.9	21%	0.206	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.4	174	44.3	168.3	-22.2	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.45Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.32Å; R258-Q266 WeakPolarHBondContact O-CG 2.98Å; R258-Q266 PolarHBondContact O-N 2.81Å
267	K	98.6	Very high	96.5	Very high	16 Å²	16	45.7 Å²	45.7	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154	176.4	-161.4	-176.3	-171.6	69.4	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.89Å; A229-K267 PolarHBondContact O-N 2.69Å; A229-K267 VanDerWaalsContact O-O 3.11Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.16Å; I237-K267 HydrophobicContact CG2-CB 4.18Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L254-K267 HydrophobicContact CD1-CD 4.41Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.39Å; V255-K267 PolarHBondContact O-NZ 3.48Å; T257-K267 WeakPolarHBondContact OG1-CD 3.04Å; T257-K267 PolarHBondContact OG1-NZ 2.89Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
268	W	98.4	Very high	96.4	Very high	25 Å²	25	44.7 Å²	44.7	10%	0.095	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.3	169.1	60.2	-99.2	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.07Å; R226-W268 HydrophobicContact CG-CE3 3.85Å; R226-W268 HydrophobicContact CG-CG 4.18Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.23Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.47Å; W228-W268 HydrophobicContact CD2-CB 3.93Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.58Å; W228-W268 HydrophobicContact CH2-CG 4.24Å; W228-W268 HydrophobicContact CZ2-CG 4.46Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.26Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.41Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.94Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.42Å; V255-W268 WeakPolarHBondContact CG2-O 3.07Å; V255-W268 PolarHBondContact N-O 2.92Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
269	A	98.3	Very high	96.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.5	174.4	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.48Å; C227-A269 PolarHBondContact N-O 2.82Å; C227-A269 PolarHBondContact O-N 3.46Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 2.81Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.35Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	98	Very high	96.2	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.5	-179.9	0	0	0	0	0	112.2	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.89Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.29Å; R226-A270 HydrophobicContact CB-CB 4.06Å; R226-A270 HydrophobicContact CG-CB 4.15Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 WeakPolarHBondContact CA-O 3.49Å; E253-A270 HydrophobicContact CB-CB 4.44Å; E253-A270 PolarHBondContact N-O 3.48Å; E253-A270 PolarHBondContact O-N 2.87Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
271	V	97.8	Very high	96.2	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.5	174.2	-73.4	0	0	0	0	109.4	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.37Å; L225-V271 HydrophobicContact CB-CG2 4.2Å; L225-V271 PolarHBondContact N-O 3.43Å; L225-V271 PolarHBondContact O-N 3.06Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.41Å; W241-V271 HydrophobicContact CD2-CG1 4.33Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 4Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.8Å; W241-V271 HydrophobicContact CZ2-CG2 4.27Å; W241-V271 HydrophobicContact CZ3-CG2 4.5Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; T252-V271 HydrophobicContact CG2-CG1 4.33Å; T252-V271 VanDerWaalsContact OG1-CG1 3.22Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.28Å; V271-V273 HydrophobicContact CB-CG1 4.3Å; V271-V273 HydrophobicContact CG2-CG1 3.73Å; V271-Y281 HydrophobicContact CG2-CD1 4.19Å
272	V	97.5	Very high	96.5	Very high	76 Å²	76	39.2 Å²	39.2	46%	0.461	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.9	168.3	-178.9	0	0	0	0	107.6	I218 E222	I218-V272 HydrophobicContact CD1-CG1 3.95Å; I218-V272 HydrophobicContact CD1-CG2 4.04Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.27Å
273	V	96.2	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.7	-176.4	-49.7	0	0	0	0	110.2	E222 V223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.38Å; V223-V273 HydrophobicContact CG2-CG2 3.29Å; V223-V273 PolarHBondContact N-O 2.81Å; V223-V273 PolarHBondContact O-N 2.87Å; L225-V273 HydrophobicContact CD1-CG1 4.15Å; L225-V273 HydrophobicContact CD1-CG2 4.03Å; L225-V273 HydrophobicContact CG-CG1 4.31Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; V271-V273 HydrophobicContact CB-CG1 4.3Å; V271-V273 HydrophobicContact CG2-CG1 3.73Å; V273-E278 HydrophobicContact CG2-CG 4.02Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE1 4.47Å; V273-Y281 HydrophobicContact CB-CE2 3.61Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.2	Very high	96.9	Very high	52 Å²	52	32.8 Å²	32.8	34%	0.338	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	138.9	172.3	-22.1	34.3	0	0	0	111.3	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.3Å; P274-G276 PolarHBondContact O-N 3.31Å; P274-E277 HydrophobicContact CB-CB 4.38Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact CG-OE2 3.43Å; P274-E277 WeakPolarHBondContact O-CB 3.44Å; P274-E277 PolarHBondContact O-N 3.49Å
275	S	94.1	Very high	96.9	Very high	50 Å²	50	32 Å²	32	35%	0.35	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	128	175.2	-62	0	0	0	0	110.8	D220 H221 E222	D220-S275 WeakPolarHBondContact O-CB 3.35Å; D220-S275 PolarHBondContact O-OG 3.18Å; H221-S275 PolarHBondContact O-N 3.49Å; H221-S275 PolarHBondContact O-OG 3.07Å; E222-S275 PolarHBondContact N-OG 3.47Å
276	G	92.6	Very high	96.9	Very high	66 Å²	66	33.6 Å²	33.6	68%	0.68	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	-7.3	-177.8	0	0	0	0	0	115.1	P274 E278	P274-G276 PolarHBondContact O-N 3.31Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 3.2Å; G276-E278 PolarHBondContact N-OE2 3.01Å
277	E	95.5	Very high	96.8	Very high	52 Å²	52	32.2 Å²	32.2	24%	0.243	18%	0.179	C	C	.	.			trans	-99.3	4.3	175.3	-62.8	-160.8	149.2	0	0	113.5	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.41Å; R243-E277 IonicContact NH1-OE2 3.38Å; R243-E277 IonicContact NH2-OE1 2.83Å; R243-E277 PolarHBondContact NH2-OE1 2.79Å; R243-E277 IonicContact NH2-OE2 3.13Å; R243-E277 PolarHBondContact NH2-OE2 2.82Å; P274-E277 HydrophobicContact CB-CB 4.38Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact CG-OE2 3.43Å; P274-E277 WeakPolarHBondContact O-CB 3.44Å; P274-E277 PolarHBondContact O-N 3.49Å; E277-Q279 PolarHBondContact O-N 3.22Å; E277-Q279 VanDerWaalsContact O-N 3.08Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-NH1 2.83Å; E277-R280 PolarHBondContact OE1-NH1 3.07Å; E277-R280 IonicContact OE2-NH1 3.59Å; E277-Y281 HydrophobicContact CB-CE2 4.29Å; E277-Y281 WeakPolarHBondContact O-CD2 3.23Å
278	E	94.9	Very high	96.6	Very high	21 Å²	21	35.6 Å²	35.6	10%	0.098	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-57.5	-34.2	-170.1	-55.7	83.5	177.1	0	0	112.6	V223 L225 V273 G276 R280 Y281 W298	V223-E278 HydrophobicContact CG2-CG 3.82Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; V273-E278 HydrophobicContact CG2-CG 4.02Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 3.2Å; G276-E278 PolarHBondContact N-OE2 3.01Å; E278-R280 PolarHBondContact O-N 2.88Å; E278-Y281 PolarHBondContact O-N 3.26Å; E278-Y281 VanDerWaalsContact O-N 3.15Å; E278-W298 HydrophobicContact CB-CD2 4.49Å; E278-W298 HydrophobicContact CB-CE3 3.48Å; E278-W298 VanDerWaalsContact CB-CE3 3.48Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.84Å
279	Q	95.2	Very high	96.4	Very high	88 Å²	88	35.4 Å²	35.4	41%	0.411	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-72.2	-14.4	-179.2	-63.5	-57.4	-46	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.22Å; E277-Q279 VanDerWaalsContact O-N 3.08Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-W298 PolarHBondContact NE2-O 3.13Å
280	R	96.5	Very high	96.2	Very high	93 Å²	93	36.6 Å²	36.6	35%	0.351	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-78	-16.1	172.8	-63.7	172.7	65.4	-178.4	2.6	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.15Å; D244-R280 PolarHBondContact N-O 2.86Å; D244-R280 WeakPolarHBondContact OD1-CB 3.46Å; D244-R280 IonicContact OD1-NE 3.85Å; D244-R280 PolarHBondContact OD1-NE 3.15Å; D244-R280 IonicContact OD2-CZ 3.62Å; D244-R280 IonicContact OD2-NE 3.88Å; D244-R280 PolarHBondContact OD2-NE 3.28Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 3.21Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.48Å; E277-R280 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-NH1 2.83Å; E277-R280 PolarHBondContact OE1-NH1 3.07Å; E277-R280 IonicContact OE2-NH1 3.59Å; E278-R280 PolarHBondContact O-N 2.88Å
281	Y	97.4	Very high	96	Very high	8 Å²	8	42.9 Å²	42.9	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.2	-178.2	-66.9	-98.8	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.24Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; R243-Y281 HydrophobicContact CB-CD1 4.03Å; R243-Y281 HydrophobicContact CB-CE1 3.79Å; R243-Y281 WeakPolarHBondContact CD-OH 3.2Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CE1 3.99Å; R243-Y281 HydrophobicContact CG-CE2 4.2Å; R243-Y281 PolarHBondContact NH1-OH 3.3Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.19Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE1 4.47Å; V273-Y281 HydrophobicContact CB-CE2 3.61Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.29Å; E277-Y281 WeakPolarHBondContact O-CD2 3.23Å; E278-Y281 PolarHBondContact O-N 3.26Å; E278-Y281 VanDerWaalsContact O-N 3.15Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å
282	T	97.9	Very high	95.8	Very high	13 Å²	13	50.5 Å²	50.5	8%	0.08	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.5	175.7	46.8	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.31Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.43Å; Q242-T282 PolarHBondContact O-N 3.18Å; T282-H284 PolarHBondContact OG1-NE2 3.44Å; T282-T295 HydrophobicContact CG2-CG2 3.96Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.33Å; T282-R297 HydrophobicContact CG2-CG 3.59Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	98.1	Very high	95.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.1	169.5	174.1	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.03Å; C227-C283 WeakPolarHBondContact SG-CB 3.41Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.26Å; T240-C283 CarbonylContact O-C 3.41Å; T240-C283 WeakPolarHBondContact O-CA 3.15Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.31Å; C283-L296 PolarHBondContact O-N 3.29Å
284	H	97.8	Very high	95.7	Very high	34 Å²	34	53.1 Å²	53.1	16%	0.157	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.1	176.4	-63	-106.4	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.32Å; T240-H284 PolarHBondContact N-O 3.34Å; T240-H284 PolarHBondContact O-N 3.11Å; Q242-H284 PolarHBondContact OE1-NE2 2.91Å; T282-H284 PolarHBondContact OG1-NE2 3.44Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.3Å; H284-T295 PolarHBondContact ND1-OG1 3.32Å
285	V	98.1	Very high	95.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.5	-178.4	-174.1	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.4Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; I237-V285 HydrophobicContact CD1-CG1 3.96Å; I237-V285 HydrophobicContact CG1-CG1 4.27Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.35Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; V285-P293 WeakPolarHBondContact O-CA 3.19Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.99Å; V285-L294 PolarHBondContact O-N 2.9Å; V285-L296 HydrophobicContact CG2-CD1 3.97Å
286	Q	97.4	Very high	95.9	Very high	62 Å²	62	54 Å²	54	29%	0.29	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.2	174.2	-52.9	-176.5	19.5	0	0	109.5	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.44Å; T238-Q286 PolarHBondContact N-O 2.76Å; T238-Q286 PolarHBondContact O-N 3.46Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
287	H	96.4	Very high	96	Very high	15 Å²	15	57.5 Å²	57.5	7%	0.069	29%	0.289	C	S	.	.			trans	-159.3	145.3	-178.2	-177.2	-96.4	0	0	0	108.7	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.89Å; P209-H287 HydrophobicContact CG-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.74Å; F232-H287 AromaticContact CD2-NE2 3.63Å; Y233-H287 PolarHBondContact O-CE1 3.28Å; P234-H287 PolarHBondContact O-NE2 3.4Å; E236-H287 PolarHBondContact O-CD2 2.99Å; I237-H287 HydrophobicContact CD1-CB 4.39Å; I237-H287 HydrophobicContact CG1-CB 4.13Å; H287-G289 VanDerWaalsContact C-N 3.26Å; H287-G289 WeakPolarHBondContact ND1-CA 3.24Å; H287-G289 PolarHBondContact ND1-N 3.46Å; H287-G289 PolarHBondContact O-N 2.78Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 2.84Å
288	E	93.9	Very high	96	Very high	87 Å²	87	57 Å²	57	41%	0.407	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.8	-178.5	-177.3	-179.7	169.9	0	0	112.9	G25 L290	G25-E288 PolarHBondContact N-OE1 2.86Å; E288-L290 PolarHBondContact O-N 3.38Å; E288-L290 VanDerWaalsContact O-N 3.13Å
289	G	93.9	Very high	95.7	Very high	20 Å²	20	63.8 Å²	63.8	21%	0.206	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-8.1	175.1	0	0	0	0	0	115	H287	H287-G289 VanDerWaalsContact C-N 3.26Å; H287-G289 WeakPolarHBondContact ND1-CA 3.24Å; H287-G289 PolarHBondContact ND1-N 3.46Å; H287-G289 PolarHBondContact O-N 2.78Å
290	L	95.3	Very high	95	Very high	26 Å²	26	63.5 Å²	63.5	14%	0.136	32%	0.322	C	S	.	.			trans	-99.4	124.5	176.8	-65.6	170.8	0	0	0	110.4	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.46Å; P209-L290 HydrophobicContact CG-CD1 3.84Å; P209-L290 HydrophobicContact CG-CD2 4.48Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 2.84Å; E288-L290 PolarHBondContact O-N 3.38Å; E288-L290 VanDerWaalsContact O-N 3.13Å; L290-K292 PolarHBondContact O-N 3Å; L290-L294 HydrophobicContact CD1-CD1 3.93Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.73Å; L290-L294 HydrophobicContact CD2-CG 3.99Å
291	P	92.9	Very high	93.4	Very high	133 Å²	133	64.1 Å²	64.1	86%	0.864	34%	0.341	S	S	*	.	S	Bend	trans	-66.7	-23.2	178.2	27.8	-35.1	0	0	0	112.7
292	K	93.1	Very high	91	Very high	164 Å²	164	69.1 Å²	69.1	71%	0.713	38%	0.377	S	S	*	.	S	Bend	trans	-145.3	148.7	173.4	-65.7	-176.3	-178.4	177.7	0	109	L290 L294	L290-K292 PolarHBondContact O-N 3Å; K292-L294 PolarHBondContact O-N 3.22Å
293	P	95.2	Very high	88.5	Confident	72 Å²	72	76.7 Å²	76.7	47%	0.468	41%	0.412	S	S	.	.			trans	-51.8	139.8	171.4	-28.1	36.4	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.19Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
294	L	96.5	Very high	85.9	Confident	60 Å²	60	80.8 Å²	80.8	31%	0.314	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	146.4	173.3	-63.4	177.4	0	0	0	110	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.32Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.3Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.99Å; V285-L294 PolarHBondContact O-N 2.9Å; L290-L294 HydrophobicContact CD1-CD1 3.93Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.73Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; K292-L294 PolarHBondContact O-N 3.22Å
295	T	97.6	Very high	83.4	Confident	84 Å²	84	85.1 Å²	85.1	52%	0.515	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.2	171.4	-56.4	0	0	0	0	108	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.96Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; H284-T295 PolarHBondContact ND1-OG1 3.32Å
296	L	96.9	Very high	81.2	Confident	35 Å²	35	88.6 Å²	88.6	18%	0.183	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.2	-173.3	-61.4	152	0	0	0	109.2	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.44Å; T211-L296 HydrophobicContact CG2-CD1 4.16Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.37Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.33Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.31Å; C283-L296 PolarHBondContact O-N 3.29Å; V285-L296 HydrophobicContact CG2-CD1 3.97Å
297	R	95.9	Very high	79.2	Confident	140 Å²	140	89.6 Å²	89.6	53%	0.528	50%	0.502	S	S	.	.			trans	-115.4	161.3	165.8	-70.6	-175	176.9	171.3	-2.2	108.8	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.59Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 2.91Å
298	W	95.5	Very high	77.4	Confident	42 Å²	42	94.8 Å²	94.8	16%	0.159	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-67.7	121	166.4	170.7	57.8	0	0	0	109.5	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.19Å; H215-W298 HydrophobicContact CB-CG 4.22Å; H215-W298 HydrophobicContact CB-CZ2 4.08Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CD2-CE2 3.87Å; H215-W298 AromaticContact CD2-CZ2 3.85Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact CG-NE1 3.98Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.87Å; L225-W298 HydrophobicContact CD2-CD2 4.42Å; L225-W298 HydrophobicContact CD2-CG 4Å; E278-W298 HydrophobicContact CB-CD2 4.49Å; E278-W298 HydrophobicContact CB-CE3 3.48Å; E278-W298 VanDerWaalsContact CB-CE3 3.48Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.84Å; Q279-W298 PolarHBondContact NE2-O 3.13Å; W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.23Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 3.99Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.11Å
299	E	89	Confident	75.7	Confident	164 Å²	164	96.4 Å²	96.4	77%	0.766	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-99.5	120	168.9	-70.5	-178.5	173.9	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 2.91Å; E299-S301 PolarHBondContact O-N 3Å; E299-S301 VanDerWaalsContact O-N 3.14Å
300	P	80.6	Confident	74.3	Confident	81 Å²	81	97.5 Å²	97.5	53%	0.526	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-56.9	122.5	171.5	-19.9	30.3	0	0	0	108.1	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.23Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 3.99Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.11Å; P300-S302 PolarHBondContact O-N 3.43Å
301	S	62.4	Low	73.2	Confident	107 Å²	107	100.9 Å²	100.9	75%	0.748	57%	0.573	S	S	*	*			trans	-50.5	113	-179.5	-30.4	0	0	0	0	108.4	E299 Q303	E299-S301 PolarHBondContact O-N 3Å; E299-S301 VanDerWaalsContact O-N 3.14Å; S301-Q303 PolarHBondContact O-N 2.81Å
302	S	46.7	Very low	72.2	Confident	113 Å²	113	98.8 Å²	98.8	79%	0.79	56%	0.557	S	S	*	*			trans	-72.3	67.2	162.7	63.9	0	0	0	0	107.2	P300 S304	P300-S302 PolarHBondContact O-N 3.43Å; S302-S304 PolarHBondContact O-N 2.84Å
303	Q	45.8	Very low	71.4	Confident	172 Å²	172	93.5 Å²	93.5	80%	0.804	54%	0.544	S	S	*	.			trans	-63.8	78.4	143.3	-84.1	-173.9	-7.4	0	0	104.5	S301 T305	S301-Q303 PolarHBondContact O-N 2.81Å; Q303-T305 PolarHBondContact O-N 3.25Å
304	S	42.2	Very low	70.6	Confident	86 Å²	86	91.7 Å²	91.7	60%	0.601	54%	0.539	S	S	*	.			trans	-57.6	96.5	159.1	176.7	0	0	0	0	103.4	S302 V306	S302-S304 PolarHBondContact O-N 2.84Å; S304-V306 PolarHBondContact O-N 2.64Å; S304-V306 VanDerWaalsContact OG-CG2 3.23Å; S304-V306 WeakPolarHBondContact OG-CG2 3.45Å; S304-V306 PolarHBondContact OG-N 3.29Å
305	T	45.7	Very low	70	Confident	124 Å²	124	94.2 Å²	94.2	76%	0.761	55%	0.552	S	S	*	*			trans	-60.3	70.1	152.2	-44.9	0	0	0	0	105.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.25Å; T305-P307 WeakPolarHBondContact O-CD 3.41Å; T305-P307 VanDerWaalsContact O-N 3.08Å
306	V	52.5	Low	69.3	Low	74 Å²	74	92.7 Å²	92.7	45%	0.448	55%	0.548	S	S	.	.			trans	-51.3	119.9	155.2	-178.9	0	0	0	0	102	S304 I308 I311	S304-V306 PolarHBondContact O-N 2.64Å; S304-V306 VanDerWaalsContact OG-CG2 3.23Å; S304-V306 WeakPolarHBondContact OG-CG2 3.45Å; S304-V306 PolarHBondContact OG-N 3.29Å; V306-I308 PolarHBondContact O-N 3.39Å; V306-I311 HydrophobicContact CG1-CD1 4.09Å
307	P	54.4	Low	68.7	Low	83 Å²	83	95.5 Å²	95.5	54%	0.539	57%	0.567	S	S	.	*			trans	-71.7	82.1	-176	28.9	-32	0	0	0	106.3	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.41Å; T305-P307 VanDerWaalsContact O-N 3.08Å; P307-V309 PolarHBondContact O-N 3.05Å; P307-V309 VanDerWaalsContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.25Å; P307-G310 PolarHBondContact O-N 2.88Å; P307-I311 PolarHBondContact O-N 3.19Å; P307-I311 VanDerWaalsContact O-N 3.15Å
308	I	59.5	Low	68.1	Low	123 Å²	123	94 Å²	94	63%	0.631	57%	0.569	S	S	*	*	H	α-helix	trans	-54.4	-33.9	174	-66.1	170	0	0	0	107.9	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 3.39Å; I308-G310 PolarHBondContact O-N 2.89Å; I308-I311 PolarHBondContact O-N 3.23Å; I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.13Å; I308-V312 WeakPolarHBondContact O-CG2 3.37Å; I308-V312 PolarHBondContact O-N 3.28Å
309	V	59	Low	67.6	Low	122 Å²	122	94.4 Å²	94.4	74%	0.739	58%	0.581	S	S	*	*	H	α-helix	trans	-59.3	-40.8	171.2	-176.6	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.05Å; P307-V309 VanDerWaalsContact O-N 3.16Å; V309-A313 WeakPolarHBondContact O-CB 3.4Å; V309-A313 PolarHBondContact O-N 2.89Å
310	G	63.5	Low	67.4	Low	42 Å²	42	91.5 Å²	91.5	43%	0.433	57%	0.574	S	S	.	*	H	α-helix	trans	-69.7	-37.7	178.7	0	0	0	0	0	113.2	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.25Å; P307-G310 PolarHBondContact O-N 2.88Å; I308-G310 PolarHBondContact O-N 2.89Å; G310-G314 PolarHBondContact O-N 2.99Å
311	I	71.3	Confident	67.7	Low	97 Å²	97	92 Å²	92	50%	0.497	58%	0.576	S	S	.	*	H	α-helix	trans	-70.4	-43.8	176.3	-61.1	174.6	0	0	0	110.4	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 4.09Å; P307-I311 PolarHBondContact O-N 3.19Å; P307-I311 VanDerWaalsContact O-N 3.15Å; I308-I311 PolarHBondContact O-N 3.23Å; I311-G314 PolarHBondContact O-N 2.7Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.14Å; I311-L315 WeakPolarHBondContact O-CG 3.33Å; I311-L315 PolarHBondContact O-N 2.99Å
312	V	73.7	Confident	68.7	Low	89 Å²	89	90.9 Å²	90.9	54%	0.539	56%	0.564	S	S	.	*	H	α-helix	trans	-66.1	-42.4	178	173.3	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.13Å; I308-V312 WeakPolarHBondContact O-CG2 3.37Å; I308-V312 PolarHBondContact O-N 3.28Å; V312-L315 PolarHBondContact O-N 3.38Å; V312-A316 WeakPolarHBondContact O-CB 3.31Å; V312-A316 PolarHBondContact O-N 3.43Å
313	A	74.5	Confident	70.5	Confident	53 Å²	53	90.6 Å²	90.6	44%	0.438	55%	0.552	S	S	.	*	H	α-helix	trans	-63.2	-43.3	174.6	0	0	0	0	0	111.7	V309 L315 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.4Å; V309-A313 PolarHBondContact O-N 2.89Å; A313-L315 PolarHBondContact O-N 3.31Å; A313-A316 PolarHBondContact O-N 2.87Å; A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.45Å; A313-V317 PolarHBondContact O-N 3.13Å
314	G	79.4	Confident	72.2	Confident	35 Å²	35	84.4 Å²	84.4	36%	0.361	53%	0.534	S	S	.	.	H	α-helix	trans	-60.9	-44.2	176.4	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.99Å; I311-G314 PolarHBondContact O-N 2.7Å; G314-V317 PolarHBondContact O-N 2.93Å; G314-L318 PolarHBondContact O-N 3.4Å
315	L	84.1	Confident	74.1	Confident	112 Å²	112	83.1 Å²	83.1	59%	0.586	53%	0.529	S	S	*	.	H	α-helix	trans	-66.9	-38.7	177.2	-73.4	170.9	0	0	0	112.5	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.14Å; I311-L315 WeakPolarHBondContact O-CG 3.33Å; I311-L315 PolarHBondContact O-N 2.99Å; V312-L315 PolarHBondContact O-N 3.38Å; A313-L315 PolarHBondContact O-N 3.31Å; L315-L318 PolarHBondContact O-N 2.91Å; L315-A319 WeakPolarHBondContact O-CB 3.33Å; L315-A319 PolarHBondContact O-N 2.68Å
316	A	82.3	Confident	75.9	Confident	53 Å²	53	81.2 Å²	81.2	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-43.3	176.5	0	0	0	0	0	111.8	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.31Å; V312-A316 PolarHBondContact O-N 3.43Å; A313-A316 PolarHBondContact O-N 2.87Å; A316-A319 PolarHBondContact O-N 2.9Å; A316-V320 WeakPolarHBondContact O-CG2 3.21Å; A316-V320 PolarHBondContact O-N 3.17Å
317	V	83.9	Confident	77.2	Confident	94 Å²	94	81.3 Å²	81.3	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-63.7	-44.6	176.5	173.9	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.45Å; A313-V317 PolarHBondContact O-N 3.13Å; G314-V317 PolarHBondContact O-N 2.93Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.28Å; V317-V320 PolarHBondContact O-N 3.46Å; V317-V321 HydrophobicContact CG1-CG2 4.44Å; V317-V321 WeakPolarHBondContact O-CG2 3.42Å; V317-V321 PolarHBondContact O-N 3.02Å
318	L	84.7	Confident	78.2	Confident	109 Å²	109	79.9 Å²	79.9	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-58.4	-44.4	175.5	-100.3	157.5	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 3.4Å; L315-L318 PolarHBondContact O-N 2.91Å; L318-V320 PolarHBondContact O-N 2.99Å; L318-V321 PolarHBondContact O-N 3.32Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.41Å; L318-V322 PolarHBondContact O-N 3.37Å
319	A	83.9	Confident	79	Confident	49 Å²	49	76.6 Å²	76.6	41%	0.405	50%	0.504	S	S	.	.	H	α-helix	trans	-61.5	-43.7	177.7	0	0	0	0	0	112.1	L315 A316 V317 V321 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.33Å; L315-A319 PolarHBondContact O-N 2.68Å; A316-A319 PolarHBondContact O-N 2.9Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.28Å; A319-V321 PolarHBondContact O-N 3.17Å; A319-V322 PolarHBondContact O-N 3.21Å; A319-I323 WeakPolarHBondContact O-CB 3.4Å; A319-I323 WeakPolarHBondContact O-CD1 3.38Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.33Å; A319-I323 PolarHBondContact O-N 3.42Å
320	V	85.1	Confident	79.7	Confident	104 Å²	104	74.8 Å²	74.8	63%	0.63	49%	0.493	S	S	*	.	H	α-helix	trans	-63.6	-42.1	177.3	173.5	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.21Å; A316-V320 PolarHBondContact O-N 3.17Å; V317-V320 PolarHBondContact O-N 3.46Å; L318-V320 PolarHBondContact O-N 2.99Å; V320-I323 PolarHBondContact O-N 3.23Å; V320-G324 PolarHBondContact O-N 3.38Å
321	V	86.6	Confident	80.2	Confident	92 Å²	92	79 Å²	79	56%	0.558	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-43.8	177.6	172.1	0	0	0	0	111.2	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.44Å; V317-V321 WeakPolarHBondContact O-CG2 3.42Å; V317-V321 PolarHBondContact O-N 3.02Å; L318-V321 PolarHBondContact O-N 3.32Å; A319-V321 PolarHBondContact O-N 3.17Å; V321-G324 PolarHBondContact O-N 2.8Å; V321-A325 WeakPolarHBondContact O-CB 3.33Å; V321-A325 PolarHBondContact O-N 3.49Å
322	V	84.4	Confident	80	Confident	83 Å²	83	78.8 Å²	78.8	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-45.4	178.3	172.5	0	0	0	0	110.8	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.41Å; L318-V322 PolarHBondContact O-N 3.37Å; A319-V322 PolarHBondContact O-N 3.21Å; V322-G324 VanDerWaalsContact C-N 3.35Å; V322-G324 PolarHBondContact O-N 3.04Å; V322-A325 PolarHBondContact O-N 2.93Å; V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.47Å; V322-V326 PolarHBondContact O-N 2.86Å
323	I	83.4	Confident	79.6	Confident	107 Å²	107	84 Å²	84	55%	0.549	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-45	176.8	-67	165.2	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.4Å; A319-I323 WeakPolarHBondContact O-CD1 3.38Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.33Å; A319-I323 PolarHBondContact O-N 3.42Å; V320-I323 PolarHBondContact O-N 3.23Å; I323-A325 PolarHBondContact O-N 2.95Å; I323-V326 PolarHBondContact O-N 3.43Å; I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 2.93Å
324	G	83.1	Confident	78.8	Confident	41 Å²	41	91.3 Å²	91.3	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-58.9	-44	176.1	0	0	0	0	0	112.8	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.38Å; V321-G324 PolarHBondContact O-N 2.8Å; V322-G324 VanDerWaalsContact C-N 3.35Å; V322-G324 PolarHBondContact O-N 3.04Å; G324-V327 PolarHBondContact O-N 3.19Å; G324-A328 WeakPolarHBondContact O-CB 3.41Å; G324-A328 PolarHBondContact O-N 3.36Å
325	A	81.7	Confident	77.5	Confident	59 Å²	59	98.9 Å²	98.9	49%	0.488	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-41.2	177.3	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.33Å; V321-A325 PolarHBondContact O-N 3.49Å; V322-A325 PolarHBondContact O-N 2.93Å; I323-A325 PolarHBondContact O-N 2.95Å; A325-A328 PolarHBondContact O-N 2.73Å; A325-A329 WeakPolarHBondContact O-CB 3.16Å; A325-A329 PolarHBondContact O-N 2.93Å
326	V	81.9	Confident	76	Confident	84 Å²	84	98.1 Å²	98.1	51%	0.509	56%	0.562	S	S	.	*	H	α-helix	trans	-64.9	-45.4	176.5	172	0	0	0	0	110.8	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.47Å; V322-V326 PolarHBondContact O-N 2.86Å; I323-V326 PolarHBondContact O-N 3.43Å; V326-A328 PolarHBondContact O-N 2.86Å; V326-A329 PolarHBondContact O-N 3.44Å; V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.48Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.37Å; V326-V330 PolarHBondContact O-N 2.95Å
327	V	80.9	Confident	74.4	Confident	76 Å²	76	100 Å²	100	46%	0.461	57%	0.573	S	S	.	*	H	α-helix	trans	-62	-45	177.3	172.7	0	0	0	0	110.7	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 2.93Å; G324-V327 PolarHBondContact O-N 3.19Å; V327-A329 PolarHBondContact O-N 2.95Å; V327-V330 PolarHBondContact O-N 2.98Å; V327-M331 HydrophobicContact CG1-CG 4.45Å; V327-M331 HydrophobicContact CG1-SD 4.14Å; V327-M331 WeakPolarHBondContact O-CB 3.4Å; V327-M331 WeakPolarHBondContact O-CG 3.19Å; V327-M331 PolarHBondContact O-N 2.72Å
328	A	75.9	Confident	72.6	Confident	53 Å²	53	99.2 Å²	99.2	44%	0.438	58%	0.583	S	S	.	*	H	α-helix	trans	-60.5	-44.4	175.9	0	0	0	0	0	112	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.41Å; G324-A328 PolarHBondContact O-N 3.36Å; A325-A328 PolarHBondContact O-N 2.73Å; V326-A328 PolarHBondContact O-N 2.86Å; A328-M331 PolarHBondContact O-N 3.44Å; A328-C332 WeakPolarHBondContact O-CB 3.13Å; A328-C332 PolarHBondContact O-N 3.46Å; A328-C332 PolarHBondContact O-SG 3.07Å
329	A	75.6	Confident	70.6	Confident	55 Å²	55	97.2 Å²	97.2	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-41	177.1	0	0	0	0	0	112.5	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.16Å; A325-A329 PolarHBondContact O-N 2.93Å; V326-A329 PolarHBondContact O-N 3.44Å; V327-A329 PolarHBondContact O-N 2.95Å; A329-C332 PolarHBondContact O-N 3.24Å; A329-R333 WeakPolarHBondContact O-CB 3.4Å; A329-R333 PolarHBondContact O-N 3.22Å
330	V	74.8	Confident	68.3	Low	84 Å²	84	105.4 Å²	105.4	51%	0.509	62%	0.615	S	S	.	*	H	α-helix	trans	-66.2	-41.4	176.1	170.6	0	0	0	0	111	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.48Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.37Å; V326-V330 PolarHBondContact O-N 2.95Å; V327-V330 PolarHBondContact O-N 2.98Å; V330-R333 PolarHBondContact O-N 2.76Å; V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 PolarHBondContact O-N 2.74Å
331	M	72.9	Confident	65.9	Low	131 Å²	131	104.3 Å²	104.3	65%	0.645	63%	0.626	S	S	*	*	H	α-helix	trans	-65.6	-41.3	175.5	-73.7	-175.5	67.8	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.45Å; V327-M331 HydrophobicContact CG1-SD 4.14Å; V327-M331 WeakPolarHBondContact O-CB 3.4Å; V327-M331 WeakPolarHBondContact O-CG 3.19Å; V327-M331 PolarHBondContact O-N 2.72Å; A328-M331 PolarHBondContact O-N 3.44Å; M331-R334 PolarHBondContact O-N 3.32Å; M331-K335 WeakPolarHBondContact O-CB 3.27Å; M331-K335 PolarHBondContact O-N 3.08Å
332	C	67.8	Low	63.4	Low	91 Å²	91	103.7 Å²	103.7	62%	0.615	64%	0.638	S	S	*	*	H	α-helix	trans	-61.3	-43.2	172.6	-78.7	0	0	0	0	111.6	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.13Å; A328-C332 PolarHBondContact O-N 3.46Å; A328-C332 PolarHBondContact O-SG 3.07Å; A329-C332 PolarHBondContact O-N 3.24Å; C332-K335 PolarHBondContact O-N 3.2Å; C332-S336 PolarHBondContact O-N 3.48Å; C332-S336 PolarHBondContact O-OG 3.26Å
333	R	64.2	Low	60.8	Low	200 Å²	200	104.8 Å²	104.8	76%	0.755	65%	0.649	S	S	*	*	H	α-helix	trans	-64.6	-40.6	175.9	-82.6	-171.3	167.2	-176.6	-2.2	113	A329 V330 K335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.4Å; A329-R333 PolarHBondContact O-N 3.22Å; V330-R333 PolarHBondContact O-N 2.76Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.17Å; R333-S336 WeakPolarHBondContact CA-OG 3.25Å; R333-S336 PolarHBondContact O-N 3.29Å; R333-S336 PolarHBondContact O-OG 3.05Å; R333-S337 PolarHBondContact O-N 2.89Å
334	R	57.3	Low	58.5	Low	206 Å²	206	109.6 Å²	109.6	78%	0.777	66%	0.662	S	S	*	*	H	α-helix	trans	-65.3	-32.3	175.5	-111.6	-176.9	172.9	-179.1	-1.4	112.7	V330 M331 S336	V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 PolarHBondContact O-N 2.74Å; M331-R334 PolarHBondContact O-N 3.32Å; R334-S336 VanDerWaalsContact C-N 3.35Å
335	K	52.3	Low	56.1	Low	193 Å²	193	113.8 Å²	113.8	84%	0.839	69%	0.685	S	S	*	*	H	α-helix	trans	-75.6	-22.8	176.6	-159.9	170.5	-179.4	179.2	0	112.8	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.27Å; M331-K335 PolarHBondContact O-N 3.08Å; C332-K335 PolarHBondContact O-N 3.2Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.17Å
336	S	52.4	Low	54	Low	96 Å²	96	119.3 Å²	119.3	67%	0.671	70%	0.701	S	S	*	*	H	α-helix	trans	-89	-13.5	175.4	52.2	0	0	0	0	115.5	C332 R333 R334	C332-S336 PolarHBondContact O-N 3.48Å; C332-S336 PolarHBondContact O-OG 3.26Å; R333-S336 WeakPolarHBondContact CA-OG 3.25Å; R333-S336 PolarHBondContact O-N 3.29Å; R333-S336 PolarHBondContact O-OG 3.05Å; R334-S336 VanDerWaalsContact C-N 3.35Å
337	S	49.9	Very low	51.7	Low	94 Å²	94	120.5 Å²	120.5	66%	0.657	72%	0.719	S	S	*	*	S	Bend	trans	-105.5	22.7	-173.7	77	0	0	0	0	114.7	R333	R333-S337 PolarHBondContact O-N 2.89Å
338	G	45.4	Very low	49.5	Very low	77 Å²	77	121 Å²	121	79%	0.794	73%	0.732	S	S	*	*			trans	-107.4	66.9	177.3	0	0	0	0	0	112.6
339	G	41.9	Very low	47.4	Very low	67 Å²	67	124.2 Å²	124.2	69%	0.691	75%	0.749	S	S	*	*			trans	178	121.2	170	0	0	0	0	0	115.6
340	K	35.9	Very low	45.6	Very low	220 Å²	220	126.3 Å²	126.3	96%	0.957	76%	0.76	S	S	*	*			trans	76.7	128	173.5	-67.8	166.4	170.2	171.3	0	115.4
341	G	36.3	Very low	43.9	Very low	82 Å²	82	129.6 Å²	129.6	85%	0.845	78%	0.775	S	S	*	*			cis	121.7	114.1	13.1	0	0	0	0	0	110.5
342	G	32.8	Very low	42.4	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	78%	0.781	S	S	*	*			trans	104.6	104.5	149.6	0	0	0	0	0	121.1
343	S	30.5	Very low	41	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	79%	0.789	S	S	*	*				67.2	117	120.5	-171.1	0	0	0	0	124.4
344	Y	34	Very low	39.9	Very low	207 Å²	207	128.9 Å²	128.9	81%	0.812	80%	0.798	S	S	*	*			trans	55.4	126.6	140.1	-79.7	-93.7	0	0	0	122.6
345	S	34.3	Very low	38.8	Very low	130 Å²	130	122 Å²	122	91%	0.909	79%	0.792	S	S	*	*				-165.4	151.6	109.5	10.8	0	0	0	0	112.9
346	Q	37.3	Very low	38.3	Very low	175 Å²	175	118.6 Å²	118.6	82%	0.818	79%	0.792	S	S	*	*			trans	-99.5	146.8	-168.8	176.5	-179.5	4.1	0	0	110.7
347	A	33.3	Very low	37.7	Very low	108 Å²	108	121.5 Å²	121.5	89%	0.893	80%	0.8	S	S	*	*			trans	-155.1	131.8	154.2	0	0	0	0	0	110.1
348	A	35.1	Very low	37.2	Very low	88 Å²	88	122.4 Å²	122.4	73%	0.727	80%	0.802	S	S	*	*			trans	-127.3	145.3	-178.4	0	0	0	0	0	110.3
349	C	30.9	Very low	37	Very low	119 Å²	119	123.4 Å²	123.4	80%	0.804	80%	0.797	S	S	*	*			trans	177.7	107.2	144.8	-98	0	0	0	0	106.7
350	S	38.7	Very low	37	Very low	99 Å²	99	127.9 Å²	127.9	69%	0.692	80%	0.804	S	S	*	*				64.6	138	89.4	62.9	0	0	0	0	112.7
351	D	38.2	Very low	37.2	Very low	153 Å²	153	124.1 Å²	124.1	82%	0.818	80%	0.799	S	S	*	*			cis	-167.4	171.8	15.5	-136.2	-25.2	0	0	0	109.5
352	S	41.9	Very low	37.4	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	83%	0.827	S	S	*	*			trans	126.4	86.9	151.4	-48.7	0	0	0	0	117.8
353	A	37.5	Very low	37.6	Very low	95 Å²	95	130.9 Å²	130.9	79%	0.785	83%	0.828	S	S	*	*				40.3	149.9	126.1	0	0	0	0	0	126
354	Q	41.3	Very low	38	Very low	201 Å²	201	132.2 Å²	132.2	94%	0.939	83%	0.832	S	S	*	*			trans	82.9	126	163.8	-68.9	-179.8	-18.5	0	0	116.8
355	G	34.4	Very low	38.2	Very low	63 Å²	63	128.1 Å²	128.1	65%	0.649	83%	0.833	S	S	*	*			cis	166.8	152	2.8	0	0	0	0	0	109.3
356	S	41.6	Very low	38.4	Very low	121 Å²	121	127.9 Å²	127.9	85%	0.846	83%	0.829	S	S	*	*			trans	65.7	106.3	154.8	-30.2	0	0	0	0	118.3
357	D	40.9	Very low	38.5	Very low	157 Å²	157	125 Å²	125	84%	0.84	83%	0.829	S	S	*	*				87.9	128.1	75.2	-103.5	-14.5	0	0	0	116.4
358	V	39.5	Very low	38.9	Very low	113 Å²	113	126.1 Å²	126.1	69%	0.685	83%	0.825	S	S	*	*			trans	86.5	104	142.3	-177.9	0	0	0	0	120.7
359	S	41.2	Very low	39.1	Very low	98 Å²	98	128.9 Å²	128.9	69%	0.685	83%	0.832	S	S	*	*				39.3	121.8	113.4	-29.5	0	0	0	0	122.3
360	L	41.4	Very low	39.8	Very low	160 Å²	160	129.6 Å²	129.6	84%	0.838	83%	0.834	S	S	*	*				44.4	121	122.1	-82.5	154.7	0	0	0	121.2
361	T	39	Very low	39.9	Very low	142 Å²	142	132.2 Å²	132.2	87%	0.871	85%	0.846	S	S	*	*				146.5	142.4	129.3	40.2	0	0	0	0	108.4
362	A	41.2	Very low	40	Very low	172 Å²	172	130.3 Å²	130.3	100%	1.421	85%	0.849	S	S	*	*			cis	-149.2	0	21.5	0	0	0	0	0	110.6

Retrieved 362 of 362 residues in 1451.9 ms (Link to these results)

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