F4NBT4_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession F4NBT4, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	41.6	Very low	242 Å²	242	139.3 Å²	139.3	100%	1.192	72%	0.723	S	S	*	*				0	101.2	0	-72.5	166.8	-178.7	0	0	108.2
2	R	32.4	Very low	41.8	Very low	244 Å²	244	138.9 Å²	138.9	92%	0.921	72%	0.722	S	S	*	*			trans	-104	105.5	169.1	-93.2	-178.3	174.4	167.5	-2	106.2	T4	R2-T4 PolarHBondContact O-N 3.25Å
3	V	35.4	Very low	41.5	Very low	140 Å²	140	136.1 Å²	136.1	85%	0.848	71%	0.707	S	S	*	*			trans	-77.4	102.6	171.9	179	0	0	0	0	106.4	A5	V3-A5 PolarHBondContact O-N 3.43Å
4	T	43.8	Very low	41	Very low	128 Å²	128	139.8 Å²	139.8	79%	0.785	71%	0.708	S	S	*	*			trans	-77	110.2	167.5	41.4	0	0	0	0	107.9	R2	R2-T4 PolarHBondContact O-N 3.25Å
5	A	39	Very low	40.9	Very low	71 Å²	71	133 Å²	133	59%	0.587	69%	0.687	S	S	*	*			trans	-62.1	147.5	170	0	0	0	0	0	110.2	V3 R7	V3-A5 PolarHBondContact O-N 3.43Å; A5-R7 PolarHBondContact O-N 3.43Å
6	P	43.7	Very low	40.9	Very low	77 Å²	77	128.2 Å²	128.2	50%	0.5	67%	0.673	S	S	.	*			trans	-69	131	-177.1	-3.5	18.6	0	0	0	109.8	T8 V9	P6-T8 PolarHBondContact O-N 2.96Å; P6-V9 HydrophobicContact CG-CG2 4.2Å; P6-V9 PolarHBondContact O-N 3.44Å
7	R	46.7	Very low	40.8	Very low	225 Å²	225	125.1 Å²	125.1	85%	0.849	66%	0.66	S	S	*	*	H	α-helix	trans	-51.4	-22.3	178.6	-99.1	177	156.1	128.8	-6	114.4	A5	A5-R7 PolarHBondContact O-N 3.43Å
8	T	47	Very low	40.6	Very low	97 Å²	97	121.2 Å²	121.2	60%	0.595	65%	0.648	S	S	*	*	H	α-helix	trans	-73.5	-34.1	177.5	38.7	0	0	0	0	113.7	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 2.96Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L11 PolarHBondContact O-N 2.8Å; T8-L12 PolarHBondContact O-N 3.01Å
9	V	46.6	Very low	40.4	Very low	78 Å²	78	119.7 Å²	119.7	47%	0.473	64%	0.64	S	S	.	*	H	α-helix	trans	-71.3	-32.8	176.9	179.1	0	0	0	0	110.9	P6 L13	P6-V9 HydrophobicContact CG-CG2 4.2Å; P6-V9 PolarHBondContact O-N 3.44Å; V9-L13 HydrophobicContact CG1-CD1 4.19Å; V9-L13 WeakPolarHBondContact O-CG 3.48Å; V9-L13 PolarHBondContact O-N 2.7Å
10	L	42.6	Very low	40.3	Very low	100 Å²	100	118.2 Å²	118.2	52%	0.524	64%	0.635	S	S	.	*	H	α-helix	trans	-67.8	-36.2	177.7	-133	87.7	0	0	0	112.2	T8 W14	T8-L10 VanDerWaalsContact C-N 3.33Å; L10-W14 PolarHBondContact O-N 2.62Å
11	L	47.1	Very low	40.2	Very low	130 Å²	130	119.9 Å²	119.9	68%	0.681	64%	0.639	S	S	*	*	H	α-helix	trans	-73.4	-36.5	-178.9	-73.5	165.6	0	0	0	113	T8 W14 G15	T8-L11 PolarHBondContact O-N 2.8Å; L11-W14 PolarHBondContact O-N 3.39Å; L11-G15 PolarHBondContact O-N 2.67Å
12	L	44.2	Very low	40.7	Very low	135 Å²	135	112.6 Å²	112.6	71%	0.707	61%	0.609	S	S	*	*	H	α-helix	trans	-67.1	-36.9	175.1	-72.9	168.1	0	0	0	112.1	T8 W14 G15 A16	T8-L12 PolarHBondContact O-N 3.01Å; L12-W14 VanDerWaalsContact C-N 3.34Å; L12-G15 PolarHBondContact O-N 3.47Å; L12-A16 PolarHBondContact O-N 3.32Å
13	L	38	Very low	41.5	Very low	102 Å²	102	105.7 Å²	105.7	53%	0.534	58%	0.583	S	S	.	*	H	α-helix	trans	-66.4	-35.6	173.5	-75.9	164.2	0	0	0	111.9	V9 V17	V9-L13 HydrophobicContact CG1-CD1 4.19Å; V9-L13 WeakPolarHBondContact O-CG 3.48Å; V9-L13 PolarHBondContact O-N 2.7Å; L13-V17 VanDerWaalsContact O-CB 3.28Å; L13-V17 WeakPolarHBondContact O-CB 3.33Å; L13-V17 WeakPolarHBondContact O-CG2 3.22Å; L13-V17 PolarHBondContact O-N 2.99Å
14	W	33.6	Very low	42.5	Very low	188 Å²	188	102 Å²	102	71%	0.712	57%	0.567	S	S	*	*	H	α-helix	trans	-73.6	-34.5	176.6	-77.5	47.7	0	0	0	112.5	L10 L11 L12 A18	L10-W14 PolarHBondContact O-N 2.62Å; L11-W14 PolarHBondContact O-N 3.39Å; L12-W14 VanDerWaalsContact C-N 3.34Å; W14-A18 WeakPolarHBondContact O-CB 3.46Å; W14-A18 PolarHBondContact O-N 3.28Å
15	G	39.7	Very low	44.1	Very low	38 Å²	38	97.1 Å²	97.1	39%	0.392	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-42	172.5	0	0	0	0	0	112.8	L11 L12 L19	L11-G15 PolarHBondContact O-N 2.67Å; L12-G15 PolarHBondContact O-N 3.47Å; G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 PolarHBondContact O-N 3.17Å
16	A	40.8	Very low	46.6	Very low	56 Å²	56	96.4 Å²	96.4	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-70.1	-40.6	176.3	0	0	0	0	0	112.6	L12 T20	L12-A16 PolarHBondContact O-N 3.32Å; A16-T20 WeakPolarHBondContact O-CG2 3.45Å; A16-T20 PolarHBondContact O-N 2.86Å; A16-T20 VanDerWaalsContact O-N 3.07Å; A16-T20 PolarHBondContact O-OG1 2.87Å
17	V	39.7	Very low	49.1	Very low	75 Å²	75	94.2 Å²	94.2	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-69.9	-40.6	178.1	172.8	0	0	0	0	111.7	L13 L19 T20 E21	L13-V17 VanDerWaalsContact O-CB 3.28Å; L13-V17 WeakPolarHBondContact O-CB 3.33Å; L13-V17 WeakPolarHBondContact O-CG2 3.22Å; L13-V17 PolarHBondContact O-N 2.99Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 2.88Å; V17-T20 WeakPolarHBondContact CA-OG1 3.25Å; V17-T20 PolarHBondContact O-N 3.02Å; V17-T20 PolarHBondContact O-OG1 3.21Å; V17-E21 PolarHBondContact O-N 3.49Å
18	A	36.7	Very low	51.5	Low	55 Å²	55	84.7 Å²	84.7	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-36.3	177.1	0	0	0	0	0	112.2	W14 T22	W14-A18 WeakPolarHBondContact O-CB 3.46Å; W14-A18 PolarHBondContact O-N 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.23Å; A18-T22 PolarHBondContact O-N 3.32Å; A18-T22 PolarHBondContact O-OG1 2.99Å
19	L	36.9	Very low	54	Low	94 Å²	94	80 Å²	80	49%	0.492	46%	0.455	S	S	.	.	H	α-helix	trans	-69.2	-39.8	172.6	-83.2	157.8	0	0	0	111.4	G15 V17 E21 T22 W23	G15-L19 WeakPolarHBondContact O-CD1 3.49Å; G15-L19 PolarHBondContact O-N 3.17Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 2.88Å; L19-E21 PolarHBondContact O-N 2.87Å; L19-T22 PolarHBondContact O-N 3.17Å; L19-T22 PolarHBondContact O-OG1 3.01Å; L19-W23 PolarHBondContact O-NE1 3.36Å
20	T	39	Very low	56.5	Low	88 Å²	88	79 Å²	79	54%	0.54	44%	0.442	S	S	.	.	H	α-helix	trans	-69.2	-31.4	178.7	51.8	0	0	0	0	114	A16 V17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.45Å; A16-T20 PolarHBondContact O-N 2.86Å; A16-T20 VanDerWaalsContact O-N 3.07Å; A16-T20 PolarHBondContact O-OG1 2.87Å; V17-T20 WeakPolarHBondContact CA-OG1 3.25Å; V17-T20 PolarHBondContact O-N 3.02Å; V17-T20 PolarHBondContact O-OG1 3.21Å; T20-T22 VanDerWaalsContact C-N 3.33Å
21	E	37.9	Very low	59.1	Low	154 Å²	154	74.7 Å²	74.7	72%	0.72	42%	0.419	S	S	*	.	H	α-helix	trans	-73.7	-20.5	176.6	-83.5	-171.3	159	0	0	113.4	V17 L19	V17-E21 PolarHBondContact O-N 3.49Å; L19-E21 PolarHBondContact O-N 2.87Å
22	T	44.8	Very low	61.6	Low	90 Å²	90	72.5 Å²	72.5	55%	0.552	41%	0.405	S	S	*	.	H	α-helix	trans	-80.3	-18.4	-177.4	48.6	0	0	0	0	114.8	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CG2 3.23Å; A18-T22 PolarHBondContact O-N 3.32Å; A18-T22 PolarHBondContact O-OG1 2.99Å; L19-T22 PolarHBondContact O-N 3.17Å; L19-T22 PolarHBondContact O-OG1 3.01Å; T20-T22 VanDerWaalsContact C-N 3.33Å
23	W	48.1	Very low	64.2	Low	99 Å²	99	66.4 Å²	66.4	38%	0.375	37%	0.372	S	S	.	.	H	α-helix	trans	-94.4	-31.4	-173.5	-62.1	98.3	0	0	0	114.2	L19 G25 E236	L19-W23 PolarHBondContact O-NE1 3.36Å; W23-G25 PolarHBondContact O-N 2.95Å; W23-E236 HydrophobicContact CE3-CB 3.88Å; W23-E236 HydrophobicContact CE3-CG 3.88Å; W23-E236 HydrophobicContact CH2-CB 3.81Å; W23-E236 HydrophobicContact CH2-CG 3.07Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.37Å; W23-E236 HydrophobicContact CZ2-CG 3.72Å; W23-E236 HydrophobicContact CZ3-CB 3.27Å; W23-E236 HydrophobicContact CZ3-CG 3.13Å
24	A	57.3	Low	67.1	Low	63 Å²	63	63.2 Å²	63.2	52%	0.521	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	103.3	-171.6	0	0	0	0	0	111.3	P129	A24-P129 WeakPolarHBondContact O-CG 3.22Å
25	G	76.5	Confident	70.2	Confident	25 Å²	25	54.3 Å²	54.3	26%	0.258	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	10.5	163.3	0	0	0	0	0	117.1	W23 P129	W23-G25 PolarHBondContact O-N 2.95Å; G25-P129 VanDerWaalsContact O-CA 3.29Å; G25-P129 WeakPolarHBondContact O-CA 3.37Å
26	S	91.4	Very high	73	Confident	55 Å²	55	55 Å²	55	39%	0.385	32%	0.317	S	S	.	.			trans	-81.6	143	164.4	63.9	0	0	0	0	110.5	L127	S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.48Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å
27	H	96.2	Very high	75.7	Confident	31 Å²	31	53.1 Å²	53.1	14%	0.144	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.1	179.6	-67.8	-76.8	0	0	0	111.1	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.22Å; H27-D53 WeakPolarHBondContact CA-OD1 3.1Å; H27-D53 IonicContact CE1-OD2 2.98Å; H27-D53 IonicContact CG-OD2 3.66Å; H27-D53 IonicContact ND1-OD1 2.7Å; H27-D53 IonicContact ND1-OD2 3.01Å; H27-D53 PolarHBondContact ND1-OD2 3.2Å; H27-D126 CarbonylContact O-C 3.55Å; H27-D126 WeakPolarHBondContact O-CA 3.43Å; H27-L127 PolarHBondContact N-O 2.97Å; H27-L127 PolarHBondContact O-N 3.36Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.48Å
28	S	97.9	Very high	78.4	Confident	25 Å²	25	53.1 Å²	53.1	18%	0.175	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.6	178.6	66.6	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.37Å; S28-D53 PolarHBondContact N-OD1 3.05Å; S28-D53 PolarHBondContact O-N 3.05Å; S28-C125 WeakPolarHBondContact CA-O 3.29Å; S28-D126 WeakPolarHBondContact CB-OD1 3.26Å
29	M	98.7	Very high	81	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.3	167.2	-176.1	170.3	61.9	0	0	108	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.31Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.11Å; M29-Y51 WeakPolarHBondContact CA-O 3.35Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact CG-CZ 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; M29-C125 PolarHBondContact N-O 2.94Å; M29-C125 PolarHBondContact O-N 3.44Å; M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-SG 3.47Å; M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.43Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.35Å; M29-L192 HydrophobicContact SD-CB 4.47Å; M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å
30	R	98.6	Very high	83.7	Confident	55 Å²	55	52.8 Å²	52.8	21%	0.208	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.8	-176.6	-58.3	-64.3	-176.2	77.8	3.9	110.6	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.59Å; R30-F32 HydrophobicContact CB-CZ 3.91Å; R30-G50 CarbonylContact O-C 3.47Å; R30-G50 WeakPolarHBondContact O-CA 3.5Å; R30-Y51 PolarHBondContact N-O 2.85Å; R30-Y51 PolarHBondContact O-N 3.04Å; R30-D126 IonicContact CZ-OD1 3.92Å; R30-D126 IonicContact NE-OD1 3.31Å; R30-D126 PolarHBondContact NE-OD1 3.5Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.35Å; R30-D126 IonicContact NH2-OD1 3.61Å; R30-D126 PolarHBondContact NH2-OD1 3.42Å; R30-D126 IonicContact NH2-OD2 2.8Å; R30-D126 PolarHBondContact NH2-OD2 3.42Å; R30-D126 VanDerWaalsContact NH2-OD2 3.11Å; R30-H137 PolarHBondContact NH2-NE2 2.74Å; R30-H137 VanDerWaalsContact NH2-NE2 3.14Å
31	Y	98.8	Very high	86.3	Confident	10 Å²	10	58.8 Å²	58.8	4%	0.039	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.4	168.5	-71.2	-88.2	0	0	0	109.6	M29 Y33 V49 F57 V58 F91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.31Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.11Å; Y31-Y33 HydrophobicContact CD1-CE1 4.39Å; Y31-Y33 HydrophobicContact CG-CE1 4.48Å; Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.36Å; Y31-F57 AromaticContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.72Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.4Å; Y31-V58 HydrophobicContact CE1-CG2 3.93Å; Y31-F91 HydrophobicContact CE1-CZ 4.46Å; Y31-M122 WeakPolarHBondContact O-CA 3.14Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.75Å; Y31-Y123 HydrophobicContact CD2-CE2 3.75Å; Y31-Y123 AromaticContact CD2-CZ 3.66Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.35Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.25Å; Y31-Y123 AromaticContact CG-CZ 3.7Å; Y31-Y123 VanDerWaalsContact CG-OH 3.31Å; Y31-Y123 PolarHBondContact N-O 2.92Å; Y31-Y123 PolarHBondContact O-N 3.46Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.8	Very high	88.9	Confident	85 Å²	85	54.2 Å²	54.2	37%	0.373	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119	177.5	-57.9	-94.7	0	0	0	109.1	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.59Å; R30-F32 HydrophobicContact CB-CZ 3.91Å; F32-A48 WeakPolarHBondContact O-CA 3.32Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.01Å; F32-V49 PolarHBondContact O-N 2.8Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-R121 WeakPolarHBondContact CA-O 3.32Å; F32-M122 HydrophobicContact CD1-CB 3.97Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CZ-CG 3.94Å
33	Y	98.7	Very high	91.2	Very high	6 Å²	6	54 Å²	54	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.4	177.6	-63.5	-1.3	0	0	0	109.2	Y31 F46 I47 A48 F91 Y98 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.39Å; Y31-Y33 HydrophobicContact CG-CE1 4.48Å; Y33-F46 HydrophobicContact CD1-CZ 4.32Å; Y33-F46 HydrophobicContact CD2-CE2 4.08Å; Y33-F46 AromaticContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CE2-CZ 4.28Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.83Å; Y33-F46 HydrophobicContact CG-CZ 3.83Å; Y33-I47 CarbonylContact C-O 3.55Å; Y33-I47 WeakPolarHBondContact CA-O 3.49Å; Y33-A48 HydrophobicContact CD1-CB 3.45Å; Y33-A48 VanDerWaalsContact CD1-CB 3.45Å; Y33-A48 HydrophobicContact CE1-CB 3.65Å; Y33-A48 HydrophobicContact CG-CB 4.32Å; Y33-F91 HydrophobicContact CE1-CD1 4.27Å; Y33-F91 AromaticContact CE1-CE1 3.61Å; Y33-F91 HydrophobicContact CE1-CE1 3.61Å; Y33-F91 AromaticContact CZ-CE1 3.68Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.1Å; Y33-Y98 AromaticContact CD2-CE2 3.68Å; Y33-Y98 HydrophobicContact CD2-CE2 3.68Å; Y33-Y98 AromaticContact CD2-CZ 3.95Å; Y33-Y98 HydrophobicContact CE2-CE2 4.44Å; Y33-Q120 CarbonylContact O-C 3.6Å; Y33-Q120 VanDerWaalsContact O-CA 3.23Å; Y33-Q120 WeakPolarHBondContact O-CA 3.38Å; Y33-R121 PolarHBondContact N-O 2.9Å; Y33-R121 PolarHBondContact O-N 3.34Å; Y33-Y123 HydrophobicContact CD1-CE1 4.43Å; Y33-Y123 HydrophobicContact CD2-CE1 4.4Å; Y33-Y123 AromaticContact CE1-CE1 3.77Å; Y33-Y123 HydrophobicContact CE1-CE1 3.77Å; Y33-Y123 AromaticContact CE2-CE1 3.79Å; Y33-Y123 HydrophobicContact CE2-CE1 3.79Å; Y33-Y123 AromaticContact CZ-CE1 3.43Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.43Å; Y33-Y123 AromaticContact CZ-CZ 3.9Å; Y33-Y123 PolarHBondContact OH-OH 3.31Å
34	T	98.8	Very high	93.6	Very high	36 Å²	36	50.4 Å²	50.4	22%	0.221	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	121.8	175.4	-57.3	0	0	0	0	108.8	M36 F46 I47 I118 Q120	T34-M36 HydrophobicContact CG2-CE 4.09Å; T34-M36 HydrophobicContact CG2-CG 4Å; T34-M36 HydrophobicContact CG2-SD 4.15Å; T34-F46 WeakPolarHBondContact O-CA 3.11Å; T34-I47 PolarHBondContact N-O 2.81Å; T34-I47 PolarHBondContact O-N 2.88Å; T34-I118 HydrophobicContact CG2-CG2 3.88Å; T34-Q120 HydrophobicContact CG2-CG 4.14Å
35	A	98.5	Very high	95.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.7	171.2	0	0	0	0	0	110.6	R45 F46 Y98 L102 I118 I119	A35-R45 CarbonylContact C-O 3.51Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.28Å; A35-F46 HydrophobicContact CB-CD2 4.1Å; A35-Y98 HydrophobicContact CB-CD1 4.02Å; A35-Y98 HydrophobicContact CB-CG 3.98Å; A35-L102 HydrophobicContact CB-CD1 4.06Å; A35-I118 WeakPolarHBondContact O-CA 3.32Å; A35-I119 HydrophobicContact CB-CG2 3.68Å; A35-I119 PolarHBondContact N-O 3.3Å; A35-I119 PolarHBondContact O-N 2.91Å
36	M	98.3	Very high	96.6	Very high	51 Å²	51	50.1 Å²	50.1	25%	0.251	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118	-174.3	-64.5	159.5	-75.9	0	0	109.7	T34 P44 R45 I47 H117 I118	T34-M36 HydrophobicContact CG2-CE 4.09Å; T34-M36 HydrophobicContact CG2-CG 4Å; T34-M36 HydrophobicContact CG2-SD 4.15Å; M36-P44 CarbonylContact O-C 3.51Å; M36-P44 WeakPolarHBondContact O-CA 3.32Å; M36-P44 WeakPolarHBondContact O-CB 3.49Å; M36-R45 HydrophobicContact CE-CB 4.36Å; M36-R45 HydrophobicContact CE-CG 4.35Å; M36-R45 PolarHBondContact N-O 3.31Å; M36-R45 PolarHBondContact O-N 3.45Å; M36-I47 HydrophobicContact CE-CD1 3.89Å; M36-I47 HydrophobicContact CE-CG1 4.33Å; M36-H117 WeakPolarHBondContact CA-O 3.24Å; M36-I118 HydrophobicContact CG-CB 4.47Å; M36-I118 HydrophobicContact CG-CD1 4.18Å; M36-I118 HydrophobicContact CG-CG1 3.97Å; M36-I118 HydrophobicContact CG-CG2 3.99Å
37	S	97.7	Very high	96.9	Very high	17 Å²	17	49.3 Å²	49.3	12%	0.119	27%	0.265	C	S	.	.			trans	-72.9	144.5	171.8	74.6	0	0	0	0	110.5	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.5Å; S37-S116 PolarHBondContact O-OG 2.91Å; S37-H117 PolarHBondContact N-O 3.32Å; S37-H117 PolarHBondContact OG-N 2.96Å; S37-H117 PolarHBondContact OG-O 3.47Å
38	R	95.9	Very high	97	Very high	76 Å²	76	47.9 Å²	47.9	29%	0.287	26%	0.259	S	S	.	.			trans	-137.2	73.2	-179.6	53.2	174.4	175.8	-160.3	-10.7	111	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.44Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.46Å; R38-R41 HydrophobicContact CG-CB 4.21Å; R38-R41 PolarHBondContact NE-O 2.92Å; R38-R41 PolarHBondContact O-N 3.17Å; R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 3.2Å; R38-E43 PolarHBondContact NH2-O 3Å; R38-D63 IonicContact CZ-OD1 3.52Å; R38-D63 IonicContact CZ-OD2 3.7Å; R38-D63 IonicContact NH1-OD1 2.72Å; R38-D63 PolarHBondContact NH1-OD1 3.25Å; R38-D63 IonicContact NH1-OD2 2.91Å; R38-D63 PolarHBondContact NH1-OD2 3.24Å; R38-D63 IonicContact NH2-OD1 3.53Å; R38-D63 PolarHBondContact NH2-OD1 3.07Å; R38-D63 IonicContact NH2-OD2 3.71Å
39	P	93.2	Very high	97.1	Very high	54 Å²	54	48.1 Å²	48.1	35%	0.351	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	131	-176.5	-26.5	34.4	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.21Å; P39-E113 WeakPolarHBondContact CB-O 3.44Å; P39-E113 VanDerWaalsContact CG-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-G115 WeakPolarHBondContact CG-O 3.5Å
40	G	92.1	Very high	97.1	Very high	88 Å²	88	48.1 Å²	48.1	91%	0.907	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	1.4	-177.6	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 3.44Å
41	R	93.8	Very high	97.1	Very high	213 Å²	213	48.8 Å²	48.8	80%	0.804	26%	0.262	S	S	*	.	S	Bend	trans	-124	24.4	179.9	-58.3	-174.7	-178.1	177.3	1.2	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.46Å; R38-R41 HydrophobicContact CG-CB 4.21Å; R38-R41 PolarHBondContact NE-O 2.92Å; R38-R41 PolarHBondContact O-N 3.17Å; P39-R41 PolarHBondContact O-N 3.21Å
42	G	92	Very high	97	Very high	58 Å²	58	48.3 Å²	48.3	60%	0.598	26%	0.26	S	S	*	.	S	Bend	trans	96.4	-163.8	178.5	0	0	0	0	0	114
43	E	94.8	Very high	96.9	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.402	25%	0.249	S	C	.	.	S	Bend	trans	-70.4	154.1	-176.9	-70.7	-66.3	168.4	0	0	112.4	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 3.2Å; R38-E43 PolarHBondContact NH2-O 3Å; E43-R45 PolarHBondContact O-N 2.88Å; E43-R99 VanDerWaalsContact CG-NH2 3.27Å; E43-R99 IonicContact OE1-CZ 3.37Å; E43-R99 VanDerWaalsContact OE2-CD 3.26Å; E43-R99 WeakPolarHBondContact OE2-CD 3.43Å; E43-R99 IonicContact OE2-CZ 3.73Å; E43-R99 IonicContact OE2-NE 3.35Å; E43-R99 PolarHBondContact OE2-NE 3.06Å; E43-R99 IonicContact OE2-NH1 3.75Å; E43-R99 IonicContact OE2-NH2 2.63Å; E43-R99 PolarHBondContact OE2-NH2 2.64Å
44	P	96.6	Very high	96.8	Very high	23 Å²	23	47.9 Å²	47.9	15%	0.149	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-53	135.4	175.1	-26	35	0	0	0	112.1	M36 R99 L102	M36-P44 CarbonylContact O-C 3.51Å; M36-P44 WeakPolarHBondContact O-CA 3.32Å; M36-P44 WeakPolarHBondContact O-CB 3.49Å; P44-R99 HydrophobicContact CG-CB 4.45Å; P44-R99 HydrophobicContact CG-CG 4.26Å; P44-L102 HydrophobicContact CB-CD1 3.62Å; P44-L102 HydrophobicContact CG-CD1 3.87Å
45	R	98.1	Very high	96.7	Very high	81 Å²	81	46.9 Å²	46.9	31%	0.306	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.2	174.5	-177.1	-178.4	-175.8	-179.4	-0.5	108.9	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.51Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.28Å; M36-R45 HydrophobicContact CE-CB 4.36Å; M36-R45 HydrophobicContact CE-CG 4.35Å; M36-R45 PolarHBondContact N-O 3.31Å; M36-R45 PolarHBondContact O-N 3.45Å; E43-R45 PolarHBondContact O-N 2.88Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; R45-D61 IonicContact CZ-OD1 3.15Å; R45-D61 IonicContact CZ-OD2 3.54Å; R45-D61 IonicContact NE-OD1 3.41Å; R45-D61 PolarHBondContact NE-OD1 3.47Å; R45-D61 IonicContact NE-OD2 3.5Å; R45-D61 IonicContact NH2-OD1 3.9Å; R45-D61 PolarHBondContact NH2-OD1 3.45Å; R45-D61 IonicContact NH2-OD2 2.76Å; R45-D61 PolarHBondContact NH2-OD2 3.44Å; R45-S62 WeakPolarHBondContact CA-OG 3.37Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 2.94Å
46	F	98.6	Very high	96.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.9	176	177.8	-98.7	0	0	0	110.2	Y33 T34 A35 A48 F60 S62 F91 N94 T95 Y98	Y33-F46 HydrophobicContact CD1-CZ 4.32Å; Y33-F46 HydrophobicContact CD2-CE2 4.08Å; Y33-F46 AromaticContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CE2-CZ 4.28Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.83Å; Y33-F46 HydrophobicContact CG-CZ 3.83Å; T34-F46 WeakPolarHBondContact O-CA 3.11Å; A35-F46 HydrophobicContact CB-CD2 4.1Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.01Å; F46-F60 AromaticContact CD1-CD1 3.82Å; F46-F60 HydrophobicContact CD1-CD1 3.82Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.08Å; F46-F60 HydrophobicContact CE1-CE1 4.42Å; F46-S62 PolarHBondContact N-OG 2.93Å; F46-S62 PolarHBondContact O-N 3.06Å; F46-S62 PolarHBondContact O-OG 3.19Å; F46-F91 HydrophobicContact CE1-CB 4.21Å; F46-F91 HydrophobicContact CE1-CD1 4.2Å; F46-N94 HydrophobicContact CE1-CB 4.24Å; F46-N94 HydrophobicContact CE2-CB 4.29Å; F46-N94 HydrophobicContact CZ-CB 3.8Å; F46-T95 HydrophobicContact CB-CG2 3.97Å; F46-T95 VanDerWaalsContact CD1-OG1 3.29Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.3Å; F46-Y98 AromaticContact CD2-CD2 3.84Å; F46-Y98 HydrophobicContact CD2-CD2 3.84Å; F46-Y98 HydrophobicContact CD2-CG 4.13Å; F46-Y98 AromaticContact CE2-CD2 3.36Å; F46-Y98 HydrophobicContact CE2-CD2 3.36Å; F46-Y98 AromaticContact CE2-CE2 3.67Å; F46-Y98 HydrophobicContact CE2-CE2 3.67Å; F46-Y98 HydrophobicContact CE2-CG 4.04Å; F46-Y98 HydrophobicContact CZ-CD2 4.28Å; F46-Y98 HydrophobicContact CZ-CE2 4.37Å
47	I	98.8	Very high	96.6	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.195	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.8	175.3	-57.1	175.8	0	0	0	107.6	Y33 T34 M36 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.55Å; Y33-I47 WeakPolarHBondContact CA-O 3.49Å; T34-I47 PolarHBondContact N-O 2.81Å; T34-I47 PolarHBondContact O-N 2.88Å; M36-I47 HydrophobicContact CE-CD1 3.89Å; M36-I47 HydrophobicContact CE-CG1 4.33Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.33Å
48	A	98.8	Very high	96.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.2	169.9	0	0	0	0	0	109.8	F32 Y33 F46 R59 F60 F91	F32-A48 WeakPolarHBondContact O-CA 3.32Å; Y33-A48 HydrophobicContact CD1-CB 3.45Å; Y33-A48 VanDerWaalsContact CD1-CB 3.45Å; Y33-A48 HydrophobicContact CE1-CB 3.65Å; Y33-A48 HydrophobicContact CG-CB 4.32Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.01Å; A48-R59 CarbonylContact O-C 3.44Å; A48-R59 WeakPolarHBondContact O-CA 3.5Å; A48-F60 HydrophobicContact CB-CB 4.31Å; A48-F60 PolarHBondContact N-O 3.38Å; A48-F60 PolarHBondContact O-N 3.41Å; A48-F91 HydrophobicContact CB-CD1 3.66Å; A48-F91 HydrophobicContact CB-CE1 3.54Å; A48-F91 HydrophobicContact CB-CG 4.34Å; A48-F91 HydrophobicContact CB-CZ 4.12Å
49	V	98.9	Very high	96.8	Very high	29 Å²	29	46.6 Å²	46.6	18%	0.176	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.5	172.7	-62.9	0	0	0	0	109.6	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.36Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.01Å; F32-V49 PolarHBondContact O-N 2.8Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.29Å; V49-V58 WeakPolarHBondContact CA-O 3.48Å; V49-R59 HydrophobicContact CG1-CG 4.26Å
50	G	98.7	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.3	176.4	0	0	0	0	0	110.5	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.47Å; R30-G50 WeakPolarHBondContact O-CA 3.5Å; G50-Q56 WeakPolarHBondContact O-CA 3.19Å; G50-Q56 WeakPolarHBondContact O-CG 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 2.82Å; G50-V58 PolarHBondContact N-O 3.48Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 2.86Å
51	Y	98.6	Very high	97.4	Very high	70 Å²	70	40.6 Å²	40.6	28%	0.275	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.1	178.5	-77.7	-101.2	0	0	0	110.5	M29 R30 F32 V49 T55 Q56 F57	M29-Y51 WeakPolarHBondContact CA-O 3.35Å; R30-Y51 PolarHBondContact N-O 2.85Å; R30-Y51 PolarHBondContact O-N 3.04Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.32Å; Y51-Q56 HydrophobicContact CE1-CB 3.54Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.04Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Y51-Q56 PolarHBondContact OH-OE1 3.22Å; Y51-F57 VanDerWaalsContact N-CE1 3.33Å
52	V	98.4	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.1	156.7	177.1	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.37Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; V52-D54 PolarHBondContact O-N 2.94Å; V52-T55 PolarHBondContact N-O 2.68Å; V52-T55 PolarHBondContact O-N 3.07Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4Å; V52-W75 HydrophobicContact CB-CH2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.47Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.91Å; V52-Y195 HydrophobicContact CG2-CG 4.42Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	96.3	Very high	97.8	Very high	28 Å²	28	32.1 Å²	32.1	15%	0.15	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-125.9	-165.8	-51.7	-41.2	0	0	0	109.8	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.22Å; H27-D53 WeakPolarHBondContact CA-OD1 3.1Å; H27-D53 IonicContact CE1-OD2 2.98Å; H27-D53 IonicContact CG-OD2 3.66Å; H27-D53 IonicContact ND1-OD1 2.7Å; H27-D53 IonicContact ND1-OD2 3.01Å; H27-D53 PolarHBondContact ND1-OD2 3.2Å; S28-D53 PolarHBondContact N-OD1 3.05Å; S28-D53 PolarHBondContact O-N 3.05Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	95.7	Very high	98	Very high	53 Å²	53	29.5 Å²	29.5	28%	0.283	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	12.1	178.2	-50.8	-57.2	0	0	0	114.2	V52 Y233 P234 V235 F265	V52-D54 PolarHBondContact O-N 2.94Å; D54-Y233 HydrophobicContact CB-CE2 3.96Å; D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; D54-V235 HydrophobicContact CB-CB 4.35Å; D54-V235 WeakPolarHBondContact OD1-CG1 3.45Å; D54-V235 WeakPolarHBondContact OD2-CB 3.38Å; D54-V235 VanDerWaalsContact OD2-CG1 3.31Å; D54-V235 WeakPolarHBondContact OD2-CG1 3.32Å; D54-V235 PolarHBondContact OD2-N 2.94Å; D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	96.5	Very high	98	Very high	15 Å²	15	34 Å²	34	9%	0.092	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.6	-177.6	-57.5	0	0	0	0	111.2	Y51 V52 D53 F57 A73 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.68Å; V52-T55 PolarHBondContact O-N 3.07Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.8Å; T55-A73 HydrophobicContact CG2-CB 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.17Å; T55-Y233 PolarHBondContact OG1-OH 3.39Å; T55-Y233 VanDerWaalsContact OG1-OH 3.09Å; T55-R263 PolarHBondContact OG1-NE 2.8Å
56	Q	97.6	Very high	97.9	Very high	53 Å²	53	33.7 Å²	33.7	25%	0.248	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.3	173.8	-165.9	179.5	-7	0	0	110.5	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.29Å; G50-Q56 WeakPolarHBondContact O-CA 3.19Å; G50-Q56 WeakPolarHBondContact O-CG 3.41Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.32Å; Y51-Q56 HydrophobicContact CE1-CB 3.54Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.04Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Y51-Q56 PolarHBondContact OH-OE1 3.22Å; Q56-V58 PolarHBondContact NE2-O 3.03Å; Q56-V58 VanDerWaalsContact NE2-O 3.16Å; Q56-R72 HydrophobicContact CB-CB 4.44Å; Q56-R72 HydrophobicContact CG-CB 4.08Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.57Å
57	F	98.2	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-24	-179.6	73.8	-84	0	0	0	114.3	M29 Y31 G50 Y51 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact CG-CZ 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 AromaticContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.72Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.4Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 2.82Å; Y51-F57 VanDerWaalsContact N-CE1 3.33Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4Å; T55-F57 PolarHBondContact O-N 2.8Å; F57-R72 PolarHBondContact O-N 3.34Å; F57-A73 HydrophobicContact CB-CB 4.23Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.96Å; F57-W75 HydrophobicContact CD1-CH2 4.09Å; F57-W75 AromaticContact CD2-CH2 3.89Å; F57-W75 HydrophobicContact CD2-CH2 3.89Å; F57-W75 HydrophobicContact CD2-CZ3 4.19Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.22Å; F57-I76 HydrophobicContact CD2-CD1 3.96Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.38Å; F57-I76 VanDerWaalsContact O-CG2 3.25Å; F57-I76 WeakPolarHBondContact O-CG2 3.49Å; F57-Y195 HydrophobicContact CD2-CE2 4.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.28Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 AromaticContact CE2-CZ 3.95Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.8Å; F57-Y195 HydrophobicContact CZ-CE2 3.8Å
58	V	98.5	Very high	97.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.7	175.9	-71.8	0	0	0	0	112.8	Y31 V49 G50 Q56 T69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.93Å; V49-V58 WeakPolarHBondContact CA-O 3.48Å; G50-V58 PolarHBondContact N-O 3.48Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 2.86Å; Q56-V58 PolarHBondContact NE2-O 3.03Å; Q56-V58 VanDerWaalsContact NE2-O 3.16Å; V58-T69 HydrophobicContact CB-CG2 4.02Å; V58-T69 HydrophobicContact CG1-CG2 4.01Å; V58-E70 WeakPolarHBondContact CA-O 3.44Å; V58-I76 HydrophobicContact CG1-CG1 4.39Å; V58-W84 HydrophobicContact CG1-CH2 4.26Å; V58-W84 HydrophobicContact CG1-CZ3 3.98Å
59	R	98.6	Very high	97.7	Very high	84 Å²	84	40.9 Å²	40.9	32%	0.317	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.7	170.3	179.8	173.2	169	174.7	-3.2	110.9	A48 V49 D61 T69 E70 R72	A48-R59 CarbonylContact O-C 3.44Å; A48-R59 WeakPolarHBondContact O-CA 3.5Å; V49-R59 HydrophobicContact CG1-CG 4.26Å; R59-D61 IonicContact NH2-OD2 2.81Å; R59-D61 PolarHBondContact NH2-OD2 3.18Å; R59-T69 WeakPolarHBondContact O-CA 3.19Å; R59-E70 PolarHBondContact N-O 2.94Å; R59-E70 PolarHBondContact O-N 2.03Å; R59-R72 HydrophobicContact CB-CG 3.92Å
60	F	98.8	Very high	97.7	Very high	1 Å²	1	43 Å²	43	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.6	164.7	177.8	-84.8	0	0	0	109.1	F46 I47 A48 P67 F91 K92	F46-F60 AromaticContact CD1-CD1 3.82Å; F46-F60 HydrophobicContact CD1-CD1 3.82Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.08Å; F46-F60 HydrophobicContact CE1-CE1 4.42Å; I47-F60 WeakPolarHBondContact CA-O 3.33Å; A48-F60 HydrophobicContact CB-CB 4.31Å; A48-F60 PolarHBondContact N-O 3.38Å; A48-F60 PolarHBondContact O-N 3.41Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; F60-F91 HydrophobicContact CB-CB 4.08Å; F60-F91 HydrophobicContact CB-CD2 3.55Å; F60-F91 HydrophobicContact CB-CE2 4.14Å; F60-F91 HydrophobicContact CB-CG 3.87Å; F60-F91 HydrophobicContact CD1-CB 3.71Å; F60-F91 HydrophobicContact CD1-CG 4.36Å; F60-F91 HydrophobicContact CD2-CB 3.58Å; F60-F91 AromaticContact CD2-CD2 3.95Å; F60-F91 HydrophobicContact CD2-CD2 3.95Å; F60-F91 HydrophobicContact CD2-CG 4.16Å; F60-F91 HydrophobicContact CE1-CB 3.98Å; F60-F91 HydrophobicContact CE2-CB 3.86Å; F60-F91 HydrophobicContact CG-CB 3.5Å; F60-F91 AromaticContact CG-CD2 3.86Å; F60-F91 HydrophobicContact CG-CD2 3.86Å; F60-F91 AromaticContact CG-CG 3.88Å; F60-F91 HydrophobicContact CG-CG 3.88Å; F60-F91 HydrophobicContact CZ-CB 4.05Å; F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.06Å
61	D	98.6	Very high	97.7	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.08	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	118.8	177.4	-162.2	-27	0	0	0	109.4	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.15Å; R45-D61 IonicContact CZ-OD2 3.54Å; R45-D61 IonicContact NE-OD1 3.41Å; R45-D61 PolarHBondContact NE-OD1 3.47Å; R45-D61 IonicContact NE-OD2 3.5Å; R45-D61 IonicContact NH2-OD1 3.9Å; R45-D61 PolarHBondContact NH2-OD1 3.45Å; R45-D61 IonicContact NH2-OD2 2.76Å; R45-D61 PolarHBondContact NH2-OD2 3.44Å; R59-D61 IonicContact NH2-OD2 2.81Å; R59-D61 PolarHBondContact NH2-OD2 3.18Å; D61-D63 PolarHBondContact O-N 2.86Å; D61-D63 PolarHBondContact OD1-N 2.98Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 2.94Å; D61-A64 PolarHBondContact O-N 2.96Å
62	S	98.3	Very high	97.6	Very high	25 Å²	25	47.4 Å²	47.4	18%	0.175	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.8	-178.1	69.5	0	0	0	0	113.4	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.37Å; F46-S62 PolarHBondContact N-OG 2.93Å; F46-S62 PolarHBondContact O-N 3.06Å; F46-S62 PolarHBondContact O-OG 3.19Å; S62-P67 WeakPolarHBondContact O-CG 3.03Å
63	D	97.4	Very high	97.5	Very high	68 Å²	68	47.7 Å²	47.7	36%	0.364	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.9	179.2	-80.5	5.7	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.52Å; R38-D63 IonicContact CZ-OD2 3.7Å; R38-D63 IonicContact NH1-OD1 2.72Å; R38-D63 PolarHBondContact NH1-OD1 3.25Å; R38-D63 IonicContact NH1-OD2 2.91Å; R38-D63 PolarHBondContact NH1-OD2 3.24Å; R38-D63 IonicContact NH2-OD1 3.53Å; R38-D63 PolarHBondContact NH2-OD1 3.07Å; R38-D63 IonicContact NH2-OD2 3.71Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 2.94Å; D61-D63 PolarHBondContact O-N 2.86Å; D61-D63 PolarHBondContact OD1-N 2.98Å
64	A	97.2	Very high	97.6	Very high	32 Å²	32	51.3 Å²	51.3	26%	0.264	29%	0.285	S	S	.	.	S	Bend	trans	-61.9	149.3	173.1	0	0	0	0	0	110.9	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 2.94Å; D61-A64 PolarHBondContact O-N 2.96Å; A64-S66 PolarHBondContact O-N 2.91Å; A64-P67 WeakPolarHBondContact O-CD 3.35Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.41Å
65	A	96.7	Very high	97.6	Very high	118 Å²	118	49.7 Å²	49.7	98%	0.975	28%	0.275	S	S	*	.	S	Bend	trans	-58.7	-32	179.8	0	0	0	0	0	113
66	S	96.2	Very high	97.7	Very high	74 Å²	74	49 Å²	49	52%	0.517	27%	0.271	S	S	.	.	S	Bend	trans	-133.8	88.7	171.3	-175	0	0	0	0	108.5	A64 R68	A64-S66 PolarHBondContact O-N 2.91Å; S66-R68 PolarHBondContact O-N 2.99Å
67	P	97.1	Very high	97.6	Very high	35 Å²	35	52.3 Å²	52.3	23%	0.227	29%	0.286	C	S	.	.			trans	-61.8	111.4	-175.2	-25.1	35.7	0	0	0	111.5	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; S62-P67 WeakPolarHBondContact O-CG 3.03Å; A64-P67 WeakPolarHBondContact O-CD 3.35Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.41Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å
68	R	98.1	Very high	97.5	Very high	148 Å²	148	57.9 Å²	57.9	56%	0.558	31%	0.312	S	S	*	.			trans	-142.5	158.7	178.2	-66.5	-170.8	176.1	-172.1	-4.8	109.7	S66 T88	S66-R68 PolarHBondContact O-N 2.99Å; R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.18Å
69	T	98.4	Very high	97.5	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.055	31%	0.314	C	S	.	.			trans	-72.6	128.5	170	-47.6	0	0	0	0	108.5	V58 R59 W84 N87 T88 F91	V58-T69 HydrophobicContact CB-CG2 4.02Å; V58-T69 HydrophobicContact CG1-CG2 4.01Å; R59-T69 WeakPolarHBondContact O-CA 3.19Å; T69-W84 HydrophobicContact CG2-CE3 4.05Å; T69-W84 HydrophobicContact CG2-CZ3 3.93Å; T69-N87 HydrophobicContact CG2-CB 4.3Å; T69-N87 VanDerWaalsContact OG1-C 3.32Å; T69-T88 PolarHBondContact N-OG1 2.78Å; T69-T88 WeakPolarHBondContact OG1-CA 3.21Å; T69-T88 PolarHBondContact OG1-N 3.26Å; T69-T88 VanDerWaalsContact OG1-N 3.1Å; T69-T88 PolarHBondContact OG1-OG1 2.79Å; T69-F91 HydrophobicContact CG2-CD2 4.29Å; T69-F91 HydrophobicContact CG2-CE2 3.75Å; T69-F91 VanDerWaalsContact OG1-CD2 3.25Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.41Å; T69-F91 WeakPolarHBondContact OG1-CE2 3.34Å
70	E	98.2	Very high	97.4	Very high	72 Å²	72	56.1 Å²	56.1	34%	0.336	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.8	-177	-63.4	172.9	160.2	0	0	110.3	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.44Å; R59-E70 PolarHBondContact N-O 2.94Å; R59-E70 PolarHBondContact O-N 2.03Å; E70-R72 IonicContact OE2-CZ 3.39Å; E70-R72 IonicContact OE2-NH2 2.76Å; E70-R72 PolarHBondContact OE2-NH2 3.31Å
71	P	98.2	Very high	97.3	Very high	50 Å²	50	60.7 Å²	60.7	33%	0.325	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	145.6	172.2	28.7	-33.9	0	0	0	110.8	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.7Å; P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 4.01Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.09Å; P71-W84 HydrophobicContact CB-CZ3 4.43Å; P71-W84 HydrophobicContact CG-CH2 4.27Å
72	R	97.7	Very high	97.3	Very high	114 Å²	114	68 Å²	68	43%	0.43	38%	0.381	S	S	.	.			trans	-128.3	-0.1	174.5	-60.9	-64.9	171.8	179.7	-1.7	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.44Å; Q56-R72 HydrophobicContact CG-CB 4.08Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 3.34Å; R59-R72 HydrophobicContact CB-CG 3.92Å; E70-R72 IonicContact OE2-CZ 3.39Å; E70-R72 IonicContact OE2-NH2 2.76Å; E70-R72 PolarHBondContact OE2-NH2 3.31Å
73	A	96.4	Very high	97.3	Very high	5 Å²	5	67.5 Å²	67.5	4%	0.041	38%	0.375	C	S	.	.	S	Bend	trans	-139	144.6	173	0	0	0	0	0	110.7	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.48Å; F57-A73 HydrophobicContact CB-CB 4.23Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.18Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 2.82Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 2.9Å
74	P	96.7	Very high	97.3	Very high	105 Å²	105	66.1 Å²	66.1	68%	0.682	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-58.6	-37.8	-177.5	-26.8	35.1	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 2.82Å; P74-E77 WeakPolarHBondContact O-CB 3.46Å; P74-E77 PolarHBondContact O-N 2.84Å; P74-E77 VanDerWaalsContact O-N 3.12Å
75	W	96.6	Very high	97.4	Very high	18 Å²	18	69.5 Å²	69.5	7%	0.068	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-69.3	-15	-176.1	54.1	-106.6	0	0	0	114.2	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.47Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.96Å; F57-W75 HydrophobicContact CD1-CH2 4.09Å; F57-W75 AromaticContact CD2-CH2 3.89Å; F57-W75 HydrophobicContact CD2-CH2 3.89Å; F57-W75 HydrophobicContact CD2-CZ3 4.19Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.22Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.18Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 2.82Å; W75-Q78 WeakPolarHBondContact O-CG 3.48Å; W75-Q78 PolarHBondContact O-NE2 2.8Å; W75-Y195 HydrophobicContact CE3-CD1 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.2Å; W75-Y195 AromaticContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD2 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.69Å; W75-Y195 HydrophobicContact CZ3-CG 3.69Å; W75-N198 WeakPolarHBondContact CB-O 3.26Å; W75-L203 HydrophobicContact CD2-CD1 4.48Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å
76	I	97.8	Very high	97.4	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-88.2	-19.8	174.2	-163.4	70.8	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CD1 3.96Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.38Å; F57-I76 VanDerWaalsContact O-CG2 3.25Å; F57-I76 WeakPolarHBondContact O-CG2 3.49Å; V58-I76 HydrophobicContact CG1-CG1 4.39Å; P71-I76 HydrophobicContact CB-CG2 3.7Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 2.9Å; P74-I76 PolarHBondContact O-N 2.82Å; I76-Q78 PolarHBondContact O-N 3.13Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.44Å; I76-E79 WeakPolarHBondContact O-CG 3.42Å; I76-E79 PolarHBondContact O-N 2.9Å; I76-Y83 HydrophobicContact CD1-CE1 4.2Å; I76-Y83 HydrophobicContact CG1-CE1 4.19Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.82Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.48Å; I76-W84 WeakPolarHBondContact O-CZ2 3.43Å; I76-Y195 HydrophobicContact CD1-CD1 3.85Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å
77	E	96.9	Very high	97.5	Very high	123 Å²	123	68.5 Å²	68.5	58%	0.575	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.8	-176.1	-65.1	-179.4	-174.2	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 4.01Å; P74-E77 WeakPolarHBondContact O-CB 3.46Å; P74-E77 PolarHBondContact O-N 2.84Å; P74-E77 VanDerWaalsContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 3.14Å
78	Q	96	Very high	97.6	Very high	118 Å²	118	67.3 Å²	67.3	55%	0.551	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-13.6	175.2	70.6	-173.8	-41	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.48Å; W75-Q78 PolarHBondContact O-NE2 2.8Å; I76-Q78 PolarHBondContact O-N 3.13Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-N198 PolarHBondContact NE2-ND2 3.02Å
79	E	97.6	Very high	97.6	Very high	12 Å²	12	65.6 Å²	65.6	6%	0.056	33%	0.33	C	S	.	.	S	Bend	trans	-64.3	136.9	176.9	-68.5	-60.4	150.8	0	0	111.1	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.44Å; I76-E79 WeakPolarHBondContact O-CG 3.42Å; I76-E79 PolarHBondContact O-N 2.9Å; E77-E79 PolarHBondContact O-N 3.14Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CE1 4.27Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CE1 4.34Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 HydrophobicContact CB-CZ2 4.39Å; E79-W84 PolarHBondContact O-NE1 2.92Å; E79-R194 IonicContact OE1-CZ 3.67Å; E79-R194 VanDerWaalsContact OE1-CZ 3.28Å; E79-R194 IonicContact OE1-NE 2.76Å; E79-R194 PolarHBondContact OE1-NE 2.8Å; E79-R194 IonicContact OE1-NH2 3.01Å; E79-R194 PolarHBondContact OE1-NH2 3.39Å; E79-R194 IonicContact OE2-CZ 2.92Å; E79-R194 IonicContact OE2-NE 3.69Å; E79-R194 IonicContact OE2-NH2 3.8Å; E79-R194 PolarHBondContact OE2-NH2 2.86Å; E79-N198 PolarHBondContact OE1-ND2 2.9Å
80	G	96.9	Very high	97.6	Very high	36 Å²	36	68.3 Å²	68.3	37%	0.371	34%	0.343	S	S	.	.			trans	-69.9	167.9	-175.9	0	0	0	0	0	113.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.78Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.23Å; G80-Y83 PolarHBondContact O-N 3.44Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å
81	P	97.6	Very high	97.6	Very high	97 Å²	97	65 Å²	65	63%	0.63	33%	0.328	S	S	*	.	H	α-helix	trans	-56.9	-34.2	-178	22.6	-33.5	0	0	0	113.4	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.93Å; P81-W84 PolarHBondContact O-N 3.37Å; P81-W84 VanDerWaalsContact O-N 3.15Å; P81-D85 WeakPolarHBondContact O-CB 3.18Å; P81-D85 PolarHBondContact O-N 2.83Å
82	E	97.8	Very high	97.6	Very high	169 Å²	169	66.8 Å²	66.8	79%	0.79	33%	0.331	S	S	*	.	H	α-helix	trans	-58.9	-37.1	177.6	-63.4	-178.2	179.6	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 2.78Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.73Å
83	Y	97.8	Very high	97.6	Very high	15 Å²	15	64.8 Å²	64.8	6%	0.059	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-48	175.9	171.6	-94	0	0	0	110.7	I76 E79 G80 P81 N87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.2Å; I76-Y83 HydrophobicContact CG1-CE1 4.19Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CE1 4.27Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CE1 4.34Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.23Å; G80-Y83 PolarHBondContact O-N 3.44Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.93Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.31Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.49Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.44Å; Y83-N87 WeakPolarHBondContact O-CB 3.45Å; Y83-N87 PolarHBondContact O-N 2.73Å; Y83-N87 PolarHBondContact O-ND2 2.98Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.08Å; Y83-W191 AromaticContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CE2-CE3 4.46Å; Y83-W191 AromaticContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CZ2 4.37Å; Y83-W191 AromaticContact CE2-CZ3 3.96Å; Y83-W191 HydrophobicContact CE2-CZ3 3.96Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.46Å; Y83-Y195 PolarHBondContact OH-OH 2.85Å
84	W	98.4	Very high	97.7	Very high	39 Å²	39	65.8 Å²	65.8	15%	0.148	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-42.4	-178	-62.9	111.4	0	0	0	112.4	V58 T69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.26Å; V58-W84 HydrophobicContact CG1-CZ3 3.98Å; T69-W84 HydrophobicContact CG2-CE3 4.05Å; T69-W84 HydrophobicContact CG2-CZ3 3.93Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.09Å; P71-W84 HydrophobicContact CB-CZ3 4.43Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.82Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.48Å; I76-W84 WeakPolarHBondContact O-CZ2 3.43Å; E79-W84 HydrophobicContact CB-CZ2 4.39Å; E79-W84 PolarHBondContact O-NE1 2.92Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; P81-W84 PolarHBondContact O-N 3.37Å; P81-W84 VanDerWaalsContact O-N 3.15Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.48Å; W84-T88 PolarHBondContact O-OG1 3.21Å
85	D	98.3	Very high	97.7	Very high	102 Å²	102	61.6 Å²	61.6	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-67.1	-45.2	178.3	-74.1	-22.4	0	0	0	111.2	P81 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.18Å; P81-D85 PolarHBondContact O-N 2.83Å; D85-T88 PolarHBondContact O-N 3.19Å; D85-Q89 WeakPolarHBondContact O-CB 3.42Å; D85-Q89 PolarHBondContact O-N 2.97Å
86	R	97.9	Very high	97.7	Very high	149 Å²	149	64.8 Å²	64.8	56%	0.562	32%	0.324	S	S	*	.	H	α-helix	trans	-59.7	-50.6	176.8	-179.5	179.5	176.2	-177.8	-0.9	111.6	E82 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.73Å; R86-T88 VanDerWaalsContact C-N 3.35Å; R86-T88 PolarHBondContact O-N 2.95Å; R86-Q89 PolarHBondContact O-N 3.12Å; R86-I90 HydrophobicContact CG-CD1 4.01Å; R86-I90 WeakPolarHBondContact O-CG1 3.21Å; R86-I90 PolarHBondContact O-N 2.85Å
87	N	97.9	Very high	97.7	Very high	22 Å²	22	67.8 Å²	67.8	12%	0.118	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-38.3	-179.5	-78.5	-73.8	0	0	0	112	T69 Y83 Q89 I90 F91	T69-N87 HydrophobicContact CG2-CB 4.3Å; T69-N87 VanDerWaalsContact OG1-C 3.32Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.31Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.49Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.44Å; Y83-N87 WeakPolarHBondContact O-CB 3.45Å; Y83-N87 PolarHBondContact O-N 2.73Å; Y83-N87 PolarHBondContact O-ND2 2.98Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 2.89Å; N87-I90 WeakPolarHBondContact O-CB 3.49Å; N87-I90 PolarHBondContact O-N 3.31Å; N87-F91 HydrophobicContact CB-CE2 4.29Å; N87-F91 WeakPolarHBondContact O-CD2 3.4Å; N87-F91 PolarHBondContact O-N 3.25Å
88	T	98.6	Very high	97.7	Very high	10 Å²	10	62.5 Å²	62.5	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-44	173.9	-66.2	0	0	0	0	111.1	R68 T69 W84 D85 R86 F91 K92	R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.18Å; T69-T88 PolarHBondContact N-OG1 2.78Å; T69-T88 WeakPolarHBondContact OG1-CA 3.21Å; T69-T88 PolarHBondContact OG1-N 3.26Å; T69-T88 VanDerWaalsContact OG1-N 3.1Å; T69-T88 PolarHBondContact OG1-OG1 2.79Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.48Å; W84-T88 PolarHBondContact O-OG1 3.21Å; D85-T88 PolarHBondContact O-N 3.19Å; R86-T88 VanDerWaalsContact C-N 3.35Å; R86-T88 PolarHBondContact O-N 2.95Å; T88-F91 PolarHBondContact O-N 3.31Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.11Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.71Å
89	Q	98.4	Very high	97.8	Very high	113 Å²	113	59.2 Å²	59.2	53%	0.528	30%	0.3	S	S	.	.	H	α-helix	trans	-66.3	-40.5	177.7	-170.8	58.3	26.3	0	0	111.7	D85 R86 N87 F91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.42Å; D85-Q89 PolarHBondContact O-N 2.97Å; R86-Q89 PolarHBondContact O-N 3.12Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 2.89Å; Q89-F91 PolarHBondContact O-N 2.73Å; Q89-K92 PolarHBondContact O-N 3.34Å; Q89-T93 PolarHBondContact O-N 2.64Å; Q89-T93 PolarHBondContact O-OG1 3.16Å
90	I	97.9	Very high	97.8	Very high	65 Å²	65	64.2 Å²	64.2	33%	0.333	32%	0.323	S	S	.	.	H	α-helix	trans	-57.8	-48.3	174.5	-70.8	166	0	0	0	110.9	R86 N87 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.01Å; R86-I90 WeakPolarHBondContact O-CG1 3.21Å; R86-I90 PolarHBondContact O-N 2.85Å; N87-I90 WeakPolarHBondContact O-CB 3.49Å; N87-I90 PolarHBondContact O-N 3.31Å; I90-T93 PolarHBondContact O-N 3.44Å; I90-N94 WeakPolarHBondContact O-CB 3.34Å; I90-N94 PolarHBondContact O-N 3.17Å; I90-N94 PolarHBondContact O-ND2 2.95Å; I90-N94 VanDerWaalsContact O-ND2 3.11Å
91	F	98.4	Very high	97.8	Very high	3 Å²	3	64.2 Å²	64.2	1%	0.013	32%	0.317	C	S	.	.	H	α-helix	trans	-69.2	-33	179.5	-65	-46.7	0	0	0	113.3	Y31 Y33 F46 A48 F60 T69 N87 T88 Q89 N94 T95	Y31-F91 HydrophobicContact CE1-CZ 4.46Å; Y33-F91 HydrophobicContact CE1-CD1 4.27Å; Y33-F91 AromaticContact CE1-CE1 3.61Å; Y33-F91 HydrophobicContact CE1-CE1 3.61Å; Y33-F91 AromaticContact CZ-CE1 3.68Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.1Å; F46-F91 HydrophobicContact CE1-CB 4.21Å; F46-F91 HydrophobicContact CE1-CD1 4.2Å; A48-F91 HydrophobicContact CB-CD1 3.66Å; A48-F91 HydrophobicContact CB-CE1 3.54Å; A48-F91 HydrophobicContact CB-CG 4.34Å; A48-F91 HydrophobicContact CB-CZ 4.12Å; F60-F91 HydrophobicContact CB-CB 4.08Å; F60-F91 HydrophobicContact CB-CD2 3.55Å; F60-F91 HydrophobicContact CB-CE2 4.14Å; F60-F91 HydrophobicContact CB-CG 3.87Å; F60-F91 HydrophobicContact CD1-CB 3.71Å; F60-F91 HydrophobicContact CD1-CG 4.36Å; F60-F91 HydrophobicContact CD2-CB 3.58Å; F60-F91 AromaticContact CD2-CD2 3.95Å; F60-F91 HydrophobicContact CD2-CD2 3.95Å; F60-F91 HydrophobicContact CD2-CG 4.16Å; F60-F91 HydrophobicContact CE1-CB 3.98Å; F60-F91 HydrophobicContact CE2-CB 3.86Å; F60-F91 HydrophobicContact CG-CB 3.5Å; F60-F91 AromaticContact CG-CD2 3.86Å; F60-F91 HydrophobicContact CG-CD2 3.86Å; F60-F91 AromaticContact CG-CG 3.88Å; F60-F91 HydrophobicContact CG-CG 3.88Å; F60-F91 HydrophobicContact CZ-CB 4.05Å; T69-F91 HydrophobicContact CG2-CD2 4.29Å; T69-F91 HydrophobicContact CG2-CE2 3.75Å; T69-F91 VanDerWaalsContact OG1-CD2 3.25Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.41Å; T69-F91 WeakPolarHBondContact OG1-CE2 3.34Å; N87-F91 HydrophobicContact CB-CE2 4.29Å; N87-F91 WeakPolarHBondContact O-CD2 3.4Å; N87-F91 PolarHBondContact O-N 3.25Å; T88-F91 PolarHBondContact O-N 3.31Å; Q89-F91 PolarHBondContact O-N 2.73Å; F91-N94 PolarHBondContact O-N 3.37Å; F91-T95 PolarHBondContact O-N 3.05Å; F91-T95 PolarHBondContact O-OG1 2.91Å
92	K	98.1	Very high	97.9	Very high	87 Å²	87	60 Å²	60	38%	0.378	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-43.2	171.5	-76.5	179.4	177.8	-179.9	0	112.1	F60 P67 T88 Q89 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.06Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.11Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.71Å; Q89-K92 PolarHBondContact O-N 3.34Å; K92-T95 WeakPolarHBondContact O-CB 3.47Å; K92-T95 PolarHBondContact O-N 3.4Å; K92-Q96 PolarHBondContact O-N 2.98Å
93	T	98.1	Very high	97.8	Very high	73 Å²	73	58.2 Å²	58.2	45%	0.448	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-47.3	173.9	-65.5	0	0	0	0	110.6	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 2.64Å; Q89-T93 PolarHBondContact O-OG1 3.16Å; I90-T93 PolarHBondContact O-N 3.44Å; T93-T95 VanDerWaalsContact C-N 3.28Å; T93-T95 PolarHBondContact O-N 2.81Å; T93-Q96 WeakPolarHBondContact O-CB 3.41Å; T93-Q96 PolarHBondContact O-N 2.93Å; T93-T97 PolarHBondContact O-N 3.37Å; T93-T97 PolarHBondContact O-OG1 3.43Å
94	N	97.6	Very high	97.8	Very high	25 Å²	25	61.2 Å²	61.2	13%	0.134	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-39.7	175.7	-83.6	-55.2	0	0	0	112.1	F46 I90 F91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.24Å; F46-N94 HydrophobicContact CE2-CB 4.29Å; F46-N94 HydrophobicContact CZ-CB 3.8Å; I90-N94 WeakPolarHBondContact O-CB 3.34Å; I90-N94 PolarHBondContact O-N 3.17Å; I90-N94 PolarHBondContact O-ND2 2.95Å; I90-N94 VanDerWaalsContact O-ND2 3.11Å; F91-N94 PolarHBondContact O-N 3.37Å; N94-Q96 PolarHBondContact O-N 2.97Å; N94-Q96 VanDerWaalsContact O-N 3.17Å; N94-T97 PolarHBondContact O-N 3.35Å; N94-T97 VanDerWaalsContact O-N 3.08Å; N94-Y98 HydrophobicContact CB-CD2 4.16Å; N94-Y98 HydrophobicContact CB-CE2 4.28Å; N94-Y98 VanDerWaalsContact O-CD2 3.22Å; N94-Y98 WeakPolarHBondContact O-CD2 3.46Å; N94-Y98 PolarHBondContact O-N 3.3Å
95	T	97.6	Very high	97.8	Very high	17 Å²	17	59.6 Å²	59.6	10%	0.104	29%	0.287	C	S	.	.	H	α-helix	trans	-53.8	-38.4	175.4	-58.4	0	0	0	0	111.8	F46 F91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.97Å; F46-T95 VanDerWaalsContact CD1-OG1 3.29Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.3Å; F91-T95 PolarHBondContact O-N 3.05Å; F91-T95 PolarHBondContact O-OG1 2.91Å; K92-T95 WeakPolarHBondContact O-CB 3.47Å; K92-T95 PolarHBondContact O-N 3.4Å; T93-T95 VanDerWaalsContact C-N 3.28Å; T93-T95 PolarHBondContact O-N 2.81Å; T95-R99 PolarHBondContact O-N 3.45Å
96	Q	97.3	Very high	97.8	Very high	86 Å²	86	57.7 Å²	57.7	40%	0.402	27%	0.272	S	S	.	.	H	α-helix	trans	-74	-45.4	175.3	-57.7	-53.1	-49.3	0	0	112	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 2.98Å; T93-Q96 WeakPolarHBondContact O-CB 3.41Å; T93-Q96 PolarHBondContact O-N 2.93Å; N94-Q96 PolarHBondContact O-N 2.97Å; N94-Q96 VanDerWaalsContact O-N 3.17Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.05Å; Q96-R99 WeakPolarHBondContact O-CB 3.39Å; Q96-R99 PolarHBondContact O-N 3.1Å; Q96-R99 VanDerWaalsContact O-N 3.17Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.31Å; Q96-E100 PolarHBondContact O-N 3.35Å; Q96-E100 VanDerWaalsContact O-N 3.12Å
97	T	97.3	Very high	97.7	Very high	63 Å²	63	52.7 Å²	52.7	39%	0.387	27%	0.266	S	S	.	.	H	α-helix	trans	-56.4	-45	177.1	-55.7	0	0	0	0	111.8	T93 N94 R99 E100 S101	T93-T97 PolarHBondContact O-N 3.37Å; T93-T97 PolarHBondContact O-OG1 3.43Å; N94-T97 PolarHBondContact O-N 3.35Å; N94-T97 VanDerWaalsContact O-N 3.08Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.02Å; T97-E100 PolarHBondContact O-N 3.27Å; T97-S101 PolarHBondContact O-N 3.16Å; T97-S101 PolarHBondContact O-OG 3.07Å; T97-S101 VanDerWaalsContact O-OG 3.11Å
98	Y	97.4	Very high	97.7	Very high	11 Å²	11	54.3 Å²	54.3	4%	0.043	27%	0.271	C	S	.	.	H	α-helix	trans	-70.3	-30.3	-180	-82.9	-78.6	0	0	0	113.3	Y33 A35 F46 N94 Q96 E100 S101 L102 I119 R121	Y33-Y98 AromaticContact CD2-CE2 3.68Å; Y33-Y98 HydrophobicContact CD2-CE2 3.68Å; Y33-Y98 AromaticContact CD2-CZ 3.95Å; Y33-Y98 HydrophobicContact CE2-CE2 4.44Å; A35-Y98 HydrophobicContact CB-CD1 4.02Å; A35-Y98 HydrophobicContact CB-CG 3.98Å; F46-Y98 AromaticContact CD2-CD2 3.84Å; F46-Y98 HydrophobicContact CD2-CD2 3.84Å; F46-Y98 HydrophobicContact CD2-CG 4.13Å; F46-Y98 AromaticContact CE2-CD2 3.36Å; F46-Y98 HydrophobicContact CE2-CD2 3.36Å; F46-Y98 AromaticContact CE2-CE2 3.67Å; F46-Y98 HydrophobicContact CE2-CE2 3.67Å; F46-Y98 HydrophobicContact CE2-CG 4.04Å; F46-Y98 HydrophobicContact CZ-CD2 4.28Å; F46-Y98 HydrophobicContact CZ-CE2 4.37Å; N94-Y98 HydrophobicContact CB-CD2 4.16Å; N94-Y98 HydrophobicContact CB-CE2 4.28Å; N94-Y98 VanDerWaalsContact O-CD2 3.22Å; N94-Y98 WeakPolarHBondContact O-CD2 3.46Å; N94-Y98 PolarHBondContact O-N 3.3Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.05Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; Y98-S101 PolarHBondContact O-N 2.83Å; Y98-L102 WeakPolarHBondContact O-CB 3.41Å; Y98-L102 VanDerWaalsContact O-CG 3.31Å; Y98-L102 WeakPolarHBondContact O-CG 3.41Å; Y98-L102 PolarHBondContact O-N 2.7Å; Y98-I119 HydrophobicContact CD1-CD1 3.93Å; Y98-I119 HydrophobicContact CD1-CG1 4.33Å; Y98-I119 HydrophobicContact CD1-CG2 3.51Å; Y98-I119 HydrophobicContact CE1-CD1 3.85Å; Y98-I119 HydrophobicContact CE1-CG1 4.14Å; Y98-I119 HydrophobicContact CE1-CG2 4.09Å; Y98-R121 WeakPolarHBondContact OH-CB 3.44Å; Y98-R121 WeakPolarHBondContact OH-CD 3.41Å
99	R	97.2	Very high	97.7	Very high	49 Å²	49	57.1 Å²	57.1	19%	0.185	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-44.9	170.1	177.1	-169.3	-62.2	178	-10.6	111.1	E43 P44 T95 Q96 T97 R103	E43-R99 VanDerWaalsContact CG-NH2 3.27Å; E43-R99 IonicContact OE1-CZ 3.37Å; E43-R99 VanDerWaalsContact OE2-CD 3.26Å; E43-R99 WeakPolarHBondContact OE2-CD 3.43Å; E43-R99 IonicContact OE2-CZ 3.73Å; E43-R99 IonicContact OE2-NE 3.35Å; E43-R99 PolarHBondContact OE2-NE 3.06Å; E43-R99 IonicContact OE2-NH1 3.75Å; E43-R99 IonicContact OE2-NH2 2.63Å; E43-R99 PolarHBondContact OE2-NH2 2.64Å; P44-R99 HydrophobicContact CG-CB 4.45Å; P44-R99 HydrophobicContact CG-CG 4.26Å; T95-R99 PolarHBondContact O-N 3.45Å; Q96-R99 WeakPolarHBondContact O-CB 3.39Å; Q96-R99 PolarHBondContact O-N 3.1Å; Q96-R99 VanDerWaalsContact O-N 3.17Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.31Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.02Å; R99-R103 WeakPolarHBondContact O-CG 3.41Å; R99-R103 PolarHBondContact O-N 3.12Å
100	E	97.4	Very high	97.7	Very high	118 Å²	118	58.9 Å²	58.9	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-67.2	-43.6	175.7	-68.4	178.1	-178.6	0	0	111.8	Q96 T97 Y98 L102 R103 N104	Q96-E100 PolarHBondContact O-N 3.35Å; Q96-E100 VanDerWaalsContact O-N 3.12Å; T97-E100 PolarHBondContact O-N 3.27Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 2.82Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 3.21Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-N104 PolarHBondContact O-N 3.28Å; E100-N104 PolarHBondContact O-ND2 2.85Å
101	S	97.8	Very high	97.6	Very high	35 Å²	35	58.7 Å²	58.7	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-44.1	175.8	-64.7	0	0	0	0	112.2	T97 Y98 R103 N104 L105	T97-S101 PolarHBondContact O-N 3.16Å; T97-S101 PolarHBondContact O-OG 3.07Å; T97-S101 VanDerWaalsContact O-OG 3.11Å; Y98-S101 PolarHBondContact O-N 2.83Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.03Å; S101-N104 PolarHBondContact O-N 2.65Å; S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 VanDerWaalsContact O-CG 3.26Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 3.44Å
102	L	98.1	Very high	97.5	Very high	9 Å²	9	62.4 Å²	62.4	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-39.7	175.9	-78.7	165.8	0	0	0	112.3	A35 P44 Y98 E100 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.06Å; P44-L102 HydrophobicContact CB-CD1 3.62Å; P44-L102 HydrophobicContact CG-CD1 3.87Å; Y98-L102 WeakPolarHBondContact O-CB 3.41Å; Y98-L102 VanDerWaalsContact O-CG 3.31Å; Y98-L102 WeakPolarHBondContact O-CG 3.41Å; Y98-L102 PolarHBondContact O-N 2.7Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 2.82Å; L102-R106 WeakPolarHBondContact O-CB 3.3Å; L102-R106 PolarHBondContact O-N 3.13Å; L102-R106 VanDerWaalsContact O-N 3.13Å; L102-H117 HydrophobicContact CD2-CB 4.18Å; L102-I119 HydrophobicContact CD1-CG2 4.41Å; L102-I119 HydrophobicContact CD2-CB 4.24Å; L102-I119 HydrophobicContact CD2-CG2 3.78Å; L102-I119 HydrophobicContact CG-CG2 3.82Å; L102-Y142 HydrophobicContact CD2-CE2 4.23Å
103	R	96.9	Very high	97.3	Very high	132 Å²	132	64.6 Å²	64.6	50%	0.498	33%	0.33	S	S	.	.	H	α-helix	trans	-67.3	-43.3	175.9	-68.7	175.2	-174.5	165.6	1.5	111.7	R99 E100 S101 G107	R99-R103 WeakPolarHBondContact O-CG 3.41Å; R99-R103 PolarHBondContact O-N 3.12Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 3.21Å; E100-R103 VanDerWaalsContact O-N 3.12Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.03Å; R103-G107 PolarHBondContact O-N 2.95Å; R103-G107 VanDerWaalsContact O-N 3.16Å
104	N	97.6	Very high	97.1	Very high	77 Å²	77	65 Å²	65	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-48.7	178.6	-71.6	-27.3	0	0	0	111.6	E100 S101 G107 Y108	E100-N104 PolarHBondContact O-N 3.28Å; E100-N104 PolarHBondContact O-ND2 2.85Å; S101-N104 PolarHBondContact O-N 2.65Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.3Å; N104-G107 PolarHBondContact O-N 3.5Å; N104-G107 VanDerWaalsContact O-N 3.1Å; N104-Y108 HydrophobicContact CB-CE2 4.44Å; N104-Y108 WeakPolarHBondContact O-CD1 3.37Å; N104-Y108 PolarHBondContact O-N 3.23Å
105	L	98	Very high	96.9	Very high	5 Å²	5	65 Å²	65	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-47.5	-179.7	-72.2	167.1	0	0	0	111.4	S101 G107 Y108 Y109 I119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 VanDerWaalsContact O-CG 3.26Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 3.44Å; L105-G107 PolarHBondContact O-N 3.09Å; L105-Y108 PolarHBondContact O-N 3.4Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.06Å; L105-Y109 PolarHBondContact O-N 2.82Å; L105-I119 HydrophobicContact CD1-CB 4.37Å; L105-I119 HydrophobicContact CD1-CD1 3.62Å; L105-I119 HydrophobicContact CD1-CG1 4.18Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 4.03Å; L105-Y142 HydrophobicContact CB-CE2 3.8Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 4.02Å; L105-Y142 HydrophobicContact CG-CD2 4.39Å; L105-Y142 HydrophobicContact CG-CE2 4.47Å; L105-Y147 HydrophobicContact CD2-CD1 4.43Å; L105-Y147 HydrophobicContact CD2-CD2 4.04Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.34Å
106	R	97.5	Very high	96.9	Very high	63 Å²	63	68 Å²	68	24%	0.238	37%	0.369	C	S	.	.	H	α-helix	trans	-52.8	-41.7	173.8	-174.5	-170.7	66	176.9	10.1	111.7	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.3Å; L102-R106 PolarHBondContact O-N 3.13Å; L102-R106 VanDerWaalsContact O-N 3.13Å; R106-N110 PolarHBondContact O-N 3.28Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.35Å; R106-Q111 PolarHBondContact O-N 3Å; R106-E113 IonicContact CZ-OE1 3.61Å; R106-E113 VanDerWaalsContact CZ-OE1 3.31Å; R106-E113 IonicContact NH1-OE1 3.92Å; R106-E113 PolarHBondContact NH1-OE1 3.16Å; R106-E113 IonicContact NH2-OE1 3.16Å; R106-E113 PolarHBondContact NH2-OE1 3.29Å
107	G	97.5	Very high	96.9	Very high	43 Å²	43	64.6 Å²	64.6	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-65.4	-45.8	175	0	0	0	0	0	113.3	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.95Å; R103-G107 VanDerWaalsContact O-N 3.16Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.3Å; N104-G107 PolarHBondContact O-N 3.5Å; N104-G107 VanDerWaalsContact O-N 3.1Å; L105-G107 PolarHBondContact O-N 3.09Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.45Å; G107-N110 PolarHBondContact O-N 2.93Å; G107-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-OD1 3.37Å
108	Y	98	Very high	97	Very high	57 Å²	57	64.5 Å²	64.5	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-34.4	179.5	-61.8	-13.4	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.44Å; N104-Y108 WeakPolarHBondContact O-CD1 3.37Å; N104-Y108 PolarHBondContact O-N 3.23Å; L105-Y108 PolarHBondContact O-N 3.4Å; Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 4.22Å; Y108-I166 HydrophobicContact CE2-CB 4.23Å; Y108-I166 HydrophobicContact CE2-CG2 3.99Å; Y108-I166 HydrophobicContact CG-CD1 4.09Å; Y108-K170 PolarHBondContact OH-NZ 3.28Å
109	Y	98.1	Very high	97	Very high	68 Å²	68	64.5 Å²	64.5	27%	0.267	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.9	177.7	-69.3	-72	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.06Å; L105-Y109 PolarHBondContact O-N 2.82Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.45Å; Y109-Q111 PolarHBondContact O-N 3.4Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.45Å; Y109-Y142 HydrophobicContact CE2-CD1 3.45Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.45Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.28Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.44Å; Y109-D161 PolarHBondContact OH-OD2 3.18Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.36Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	97.2	Very high	97.1	Very high	151 Å²	151	66 Å²	66	81%	0.807	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.4	-177.4	-58.2	-58.6	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.28Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.93Å; G107-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-OD1 3.37Å
111	Q	97.6	Very high	97.1	Very high	61 Å²	61	62.7 Å²	62.7	29%	0.285	34%	0.341	S	S	.	.			trans	-87.3	153.1	-176.4	-71.1	166.3	-33.4	0	0	112.1	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.35Å; R106-Q111 PolarHBondContact O-N 3Å; Y109-Q111 PolarHBondContact O-N 3.4Å; Q111-H117 PolarHBondContact NE2-CE1 2.98Å; Q111-H117 PolarHBondContact OE1-CE1 3.45Å; Q111-Y142 PolarHBondContact OE1-OH 3.11Å; Q111-D143 PolarHBondContact NE2-OD2 3.46Å
112	S	95.9	Very high	97.2	Very high	81 Å²	81	61.8 Å²	61.8	57%	0.566	33%	0.333	S	S	*	.			trans	-67.4	146.6	179.2	176.5	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 2.95Å; S112-A114 PolarHBondContact OG-N 3.01Å; S112-G115 PolarHBondContact O-N 3.44Å
113	E	93.2	Very high	97.2	Very high	132 Å²	132	62.4 Å²	62.4	62%	0.617	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.2	174.6	-54	-152.2	126	0	0	114	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.44Å; P39-E113 VanDerWaalsContact CG-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.61Å; R106-E113 VanDerWaalsContact CZ-OE1 3.31Å; R106-E113 IonicContact NH1-OE1 3.92Å; R106-E113 PolarHBondContact NH1-OE1 3.16Å; R106-E113 IonicContact NH2-OE1 3.16Å; R106-E113 PolarHBondContact NH2-OE1 3.29Å; E113-G115 VanDerWaalsContact C-N 3.27Å
114	A	93.6	Very high	97.3	Very high	83 Å²	83	56.1 Å²	56.1	69%	0.686	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.9	177.5	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 2.95Å; S112-A114 PolarHBondContact OG-N 3.01Å
115	G	93.9	Very high	97.3	Very high	25 Å²	25	52.4 Å²	52.4	26%	0.258	29%	0.292	S	S	.	.			trans	-74.5	134.1	-179.9	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.5Å; S112-G115 PolarHBondContact O-N 3.44Å; E113-G115 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-CD2 2.97Å
116	S	97.1	Very high	97.4	Very high	79 Å²	79	53.6 Å²	53.6	55%	0.552	30%	0.298	S	S	*	.			trans	-83.5	134.5	164.8	-179.5	0	0	0	0	108.8	S37	S37-S116 WeakPolarHBondContact O-CB 3.5Å; S37-S116 PolarHBondContact O-OG 2.91Å
117	H	98.3	Very high	97.3	Very high	15 Å²	15	50.8 Å²	50.8	7%	0.069	29%	0.288	C	S	.	.			trans	-134.4	151.3	-174.7	-63.8	-72.6	0	0	0	110.1	M36 S37 L102 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.24Å; S37-H117 PolarHBondContact N-O 3.32Å; S37-H117 PolarHBondContact OG-N 2.96Å; S37-H117 PolarHBondContact OG-O 3.47Å; L102-H117 HydrophobicContact CD2-CB 4.18Å; Q111-H117 PolarHBondContact NE2-CE1 2.98Å; Q111-H117 PolarHBondContact OE1-CE1 3.45Å; G115-H117 PolarHBondContact O-CD2 2.97Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.39Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.76Å; H117-D143 WeakPolarHBondContact CA-OD1 3.39Å; H117-D143 WeakPolarHBondContact CB-OD1 3.48Å; H117-D143 IonicContact CE1-OD2 2.97Å; H117-D143 IonicContact CG-OD1 3.11Å; H117-D143 IonicContact CG-OD2 3.69Å; H117-D143 IonicContact ND1-OD1 3.65Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 3.39Å
118	I	98.3	Very high	97.2	Very high	61 Å²	61	48.9 Å²	48.9	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.7	-177.6	-50.4	-175.2	0	0	0	108.8	T34 A35 M36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.88Å; A35-I118 WeakPolarHBondContact O-CA 3.32Å; M36-I118 HydrophobicContact CG-CB 4.47Å; M36-I118 HydrophobicContact CG-CD1 4.18Å; M36-I118 HydrophobicContact CG-CG1 3.97Å; M36-I118 HydrophobicContact CG-CG2 3.99Å; I118-Q120 HydrophobicContact CG2-CG 3.96Å; I118-Y142 CarbonylContact O-C 3.6Å; I118-Y142 WeakPolarHBondContact O-CA 3.45Å; I118-Y142 WeakPolarHBondContact O-CD2 3.1Å; I118-D143 PolarHBondContact N-OD1 2.88Å; I118-D143 PolarHBondContact O-N 3.16Å
119	I	98.4	Very high	96.8	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.051	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.2	165.5	-176	-179.1	0	0	0	108.4	A35 Y98 L102 L105 A141 Y142	A35-I119 HydrophobicContact CB-CG2 3.68Å; A35-I119 PolarHBondContact N-O 3.3Å; A35-I119 PolarHBondContact O-N 2.91Å; Y98-I119 HydrophobicContact CD1-CD1 3.93Å; Y98-I119 HydrophobicContact CD1-CG1 4.33Å; Y98-I119 HydrophobicContact CD1-CG2 3.51Å; Y98-I119 HydrophobicContact CE1-CD1 3.85Å; Y98-I119 HydrophobicContact CE1-CG1 4.14Å; Y98-I119 HydrophobicContact CE1-CG2 4.09Å; L102-I119 HydrophobicContact CD1-CG2 4.41Å; L102-I119 HydrophobicContact CD2-CB 4.24Å; L102-I119 HydrophobicContact CD2-CG2 3.78Å; L102-I119 HydrophobicContact CG-CG2 3.82Å; L105-I119 HydrophobicContact CD1-CB 4.37Å; L105-I119 HydrophobicContact CD1-CD1 3.62Å; L105-I119 HydrophobicContact CD1-CG1 4.18Å; I119-A141 WeakPolarHBondContact CA-O 3.38Å; I119-Y142 HydrophobicContact CB-CD2 4.3Å
120	Q	98.7	Very high	96.4	Very high	81 Å²	81	52.4 Å²	52.4	38%	0.379	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.7	178.3	-63.4	173.8	-92.3	0	0	109.2	Y33 T34 I118 S140 A141	Y33-Q120 CarbonylContact O-C 3.6Å; Y33-Q120 VanDerWaalsContact O-CA 3.23Å; Y33-Q120 WeakPolarHBondContact O-CA 3.38Å; T34-Q120 HydrophobicContact CG2-CG 4.14Å; I118-Q120 HydrophobicContact CG2-CG 3.96Å; Q120-S140 CarbonylContact O-C 3.53Å; Q120-S140 WeakPolarHBondContact O-CA 3.47Å; Q120-A141 HydrophobicContact CB-CB 4.46Å; Q120-A141 PolarHBondContact N-O 2.72Å; Q120-A141 PolarHBondContact O-N 2.84Å
121	R	98.6	Very high	96.1	Very high	48 Å²	48	46 Å²	46	18%	0.181	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137	170.3	-176.2	179.8	177	-160.5	-7.1	109.9	F32 Y33 Y98 Y123 D138 Q139	F32-R121 WeakPolarHBondContact CA-O 3.32Å; Y33-R121 PolarHBondContact N-O 2.9Å; Y33-R121 PolarHBondContact O-N 3.34Å; Y98-R121 WeakPolarHBondContact OH-CB 3.44Å; Y98-R121 WeakPolarHBondContact OH-CD 3.41Å; R121-Y123 HydrophobicContact CG-CD1 4.42Å; R121-D138 IonicContact CZ-OD1 3.49Å; R121-D138 IonicContact CZ-OD2 3.81Å; R121-D138 IonicContact NE-OD1 2.76Å; R121-D138 PolarHBondContact NE-OD1 2.87Å; R121-D138 IonicContact NE-OD2 3.66Å; R121-D138 PolarHBondContact NE-OD2 2.84Å; R121-D138 IonicContact NH2-OD1 3.28Å; R121-D138 IonicContact NH2-OD2 2.71Å; R121-D138 PolarHBondContact NH2-OD2 2.77Å; R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.26Å; R121-Q139 WeakPolarHBondContact CA-O 3.43Å; R121-Q139 WeakPolarHBondContact CG-O 3.32Å
122	M	98.7	Very high	95.9	Very high	17 Å²	17	51.2 Å²	51.2	8%	0.084	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.1	167.9	-174.9	-76.2	-70.7	0	0	107.8	Y31 F32 H137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.14Å; F32-M122 HydrophobicContact CD1-CB 3.97Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CZ-CG 3.94Å; M122-H137 HydrophobicContact CE-CB 3.83Å; M122-H137 HydrophobicContact SD-CB 4.04Å; M122-D138 WeakPolarHBondContact O-CA 3.31Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 3.96Å; M122-Q139 PolarHBondContact N-O 2.8Å; M122-Q139 PolarHBondContact O-N 2.91Å
123	Y	98.7	Very high	96	Very high	21 Å²	21	49.8 Å²	49.8	8%	0.082	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.6	171.6	73.8	-83.4	0	0	0	110.5	Y31 Y33 R121 H137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.75Å; Y31-Y123 HydrophobicContact CD2-CE2 3.75Å; Y31-Y123 AromaticContact CD2-CZ 3.66Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.35Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.25Å; Y31-Y123 AromaticContact CG-CZ 3.7Å; Y31-Y123 VanDerWaalsContact CG-OH 3.31Å; Y31-Y123 PolarHBondContact N-O 2.92Å; Y31-Y123 PolarHBondContact O-N 3.46Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD1-CE1 4.43Å; Y33-Y123 HydrophobicContact CD2-CE1 4.4Å; Y33-Y123 AromaticContact CE1-CE1 3.77Å; Y33-Y123 HydrophobicContact CE1-CE1 3.77Å; Y33-Y123 AromaticContact CE2-CE1 3.79Å; Y33-Y123 HydrophobicContact CE2-CE1 3.79Å; Y33-Y123 AromaticContact CZ-CE1 3.43Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.43Å; Y33-Y123 AromaticContact CZ-CZ 3.9Å; Y33-Y123 PolarHBondContact OH-OH 3.31Å; R121-Y123 HydrophobicContact CG-CD1 4.42Å; Y123-H137 CarbonylContact C-O 3.55Å; Y123-H137 WeakPolarHBondContact CA-O 3.46Å; Y123-H137 VanDerWaalsContact CB-O 3.28Å; Y123-H137 WeakPolarHBondContact CB-O 3.24Å; Y123-Y183 AromaticContact CD2-CE1 3.82Å; Y123-Y183 HydrophobicContact CD2-CE1 3.82Å; Y123-Y183 AromaticContact CE2-CE1 3.65Å; Y123-Y183 HydrophobicContact CE2-CE1 3.65Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å
124	G	98.6	Very high	96.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-176.3	-176	0	0	0	0	0	114.1	M29 H137 L184	M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; G124-H137 PolarHBondContact N-O 3.01Å; G124-H137 PolarHBondContact O-N 2.95Å; G124-L184 WeakPolarHBondContact O-CD2 3.4Å
125	C	98.6	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.6	-176.6	52.8	0	0	0	0	111.1	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.29Å; M29-C125 PolarHBondContact N-O 2.94Å; M29-C125 PolarHBondContact O-N 3.44Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 CarbonylContact C-O 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.45Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.32Å; C125-C188 PolarHBondContact N-SG 3.12Å; C125-C188 WeakPolarHBondContact SG-CB 3.23Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.27Å
126	D	98.2	Very high	96.5	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.16	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.1	173.4	-53.1	-24.2	0	0	0	108.6	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.55Å; H27-D126 WeakPolarHBondContact O-CA 3.43Å; S28-D126 WeakPolarHBondContact CB-OD1 3.26Å; R30-D126 IonicContact CZ-OD1 3.92Å; R30-D126 IonicContact NE-OD1 3.31Å; R30-D126 PolarHBondContact NE-OD1 3.5Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.35Å; R30-D126 IonicContact NH2-OD1 3.61Å; R30-D126 PolarHBondContact NH2-OD1 3.42Å; R30-D126 IonicContact NH2-OD2 2.8Å; R30-D126 PolarHBondContact NH2-OD2 3.42Å; R30-D126 VanDerWaalsContact NH2-OD2 3.11Å; D126-L134 PolarHBondContact O-N 3.37Å; D126-R135 HydrophobicContact CB-CB 4.39Å; D126-R135 PolarHBondContact N-O 3.22Å; D126-R135 PolarHBondContact O-N 3.42Å; D126-H137 IonicContact OD1-CD2 3.85Å; D126-H137 IonicContact OD1-NE2 3.54Å; D126-H137 IonicContact OD2-CD2 3.67Å; D126-H137 IonicContact OD2-CE1 2.8Å; D126-H137 IonicContact OD2-NE2 3.45Å; D126-H137 PolarHBondContact OD2-NE2 2.89Å
127	L	97.3	Very high	96.5	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.9	176	-54.9	-176.2	0	0	0	110.5	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.48Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å; H27-L127 PolarHBondContact N-O 2.97Å; H27-L127 PolarHBondContact O-N 3.36Å; L127-R132 CarbonylContact C-O 3.57Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.24Å; L127-V189 HydrophobicContact CD1-CG1 4.29Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.88Å; L127-L192 HydrophobicContact CB-CD2 4.46Å; L127-L192 HydrophobicContact CD1-CB 4.18Å; L127-L192 HydrophobicContact CD1-CD2 3.65Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.24Å; L127-R193 HydrophobicContact CD1-CG 3.97Å
128	G	94.1	Very high	96.5	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.031	23%	0.228	C	C	.	.			trans	-79.5	177.4	170.8	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.99Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.44Å; G128-G131 PolarHBondContact O-N 3.34Å; G128-R132 PolarHBondContact N-O 2.93Å
129	P	90.1	Very high	96.6	Very high	100 Å²	100	47.3 Å²	47.3	65%	0.649	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	177.3	-24.4	34.8	0	0	0	114.3	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.22Å; G25-P129 VanDerWaalsContact O-CA 3.29Å; G25-P129 WeakPolarHBondContact O-CA 3.37Å; P129-G131 PolarHBondContact O-N 2.83Å
130	D	89.6	Confident	96.6	Very high	99 Å²	99	47.4 Å²	47.4	53%	0.529	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	3	174	71	-12.6	0	0	0	113.3	G128 R132	G128-D130 PolarHBondContact O-N 2.99Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 3.42Å; D130-R132 WeakPolarHBondContact OD1-CB 3.22Å; D130-R132 PolarHBondContact OD1-N 3.15Å; D130-R132 WeakPolarHBondContact OD2-CD 3.36Å; D130-R132 WeakPolarHBondContact OD2-CG 3.23Å; D130-R132 IonicContact OD2-CZ 3.92Å; D130-R132 IonicContact OD2-NE 2.7Å; D130-R132 IonicContact OD2-NH1 3.01Å
131	G	90.1	Very high	96.6	Very high	18 Å²	18	44.3 Å²	44.3	19%	0.186	22%	0.221	C	C	.	.	S	Bend	trans	71.7	9.5	-178.2	0	0	0	0	0	114.2	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.44Å; G128-G131 PolarHBondContact O-N 3.34Å; P129-G131 PolarHBondContact O-N 2.83Å; G131-R193 VanDerWaalsContact O-CZ 3.25Å; G131-R193 PolarHBondContact O-NE 3.28Å; G131-R193 PolarHBondContact O-NH2 2.91Å
132	R	94.4	Very high	96.6	Very high	169 Å²	169	42.5 Å²	42.5	64%	0.638	21%	0.214	S	C	*	.			trans	-87.4	153.7	178	-62.6	-173.9	-177	158.5	-4.3	111.4	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.57Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.24Å; G128-R132 PolarHBondContact N-O 2.93Å; D130-R132 PolarHBondContact O-N 3.42Å; D130-R132 WeakPolarHBondContact OD1-CB 3.22Å; D130-R132 PolarHBondContact OD1-N 3.15Å; D130-R132 WeakPolarHBondContact OD2-CD 3.36Å; D130-R132 WeakPolarHBondContact OD2-CG 3.23Å; D130-R132 IonicContact OD2-CZ 3.92Å; D130-R132 IonicContact OD2-NE 2.7Å; D130-R132 IonicContact OD2-NH1 3.01Å; R132-L134 PolarHBondContact O-N 3.15Å
133	L	96.9	Very high	96.6	Very high	51 Å²	51	44.6 Å²	44.6	27%	0.267	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	121.3	175.5	-176.4	73.3	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.58Å; L133-R135 WeakPolarHBondContact CD1-O 3.41Å; L133-L154 HydrophobicContact CD2-CD1 4.34Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.69Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.11Å
134	L	96.5	Very high	96.5	Very high	120 Å²	120	46.5 Å²	46.5	63%	0.628	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	-45.2	167.8	-69.5	177.8	0	0	0	110.9	D126 R132	D126-L134 PolarHBondContact O-N 3.37Å; R132-L134 PolarHBondContact O-N 3.15Å
135	R	96.9	Very high	96.5	Very high	107 Å²	107	54.2 Å²	54.2	40%	0.404	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	137.3	-174.4	-171.1	171.6	175.2	138.2	9.8	111.8	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.45Å; D126-R135 HydrophobicContact CB-CB 4.39Å; D126-R135 PolarHBondContact N-O 3.22Å; D126-R135 PolarHBondContact O-N 3.42Å; L133-R135 WeakPolarHBondContact CD1-O 3.41Å; R135-H137 WeakPolarHBondContact CD-CE1 3.31Å; R135-H137 PolarHBondContact NE-CE1 2.82Å; R135-E152 IonicContact CZ-OE1 2.97Å; R135-E152 IonicContact NH1-OE1 3.59Å; R135-E152 PolarHBondContact NH1-OE1 2.86Å; R135-E152 IonicContact NH2-OE1 3.53Å; R135-E152 PolarHBondContact NH2-OE1 3.05Å
136	G	98.1	Very high	96.5	Very high	6 Å²	6	60.4 Å²	60.4	6%	0.062	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	148.8	166.6	0	0	0	0	0	110.8
137	H	98.2	Very high	96.5	Very high	22 Å²	22	59.4 Å²	59.4	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.4	-178.8	-56.6	-94.3	0	0	0	110.4	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 2.74Å; R30-H137 VanDerWaalsContact NH2-NE2 3.14Å; M122-H137 HydrophobicContact CE-CB 3.83Å; M122-H137 HydrophobicContact SD-CB 4.04Å; Y123-H137 CarbonylContact C-O 3.55Å; Y123-H137 WeakPolarHBondContact CA-O 3.46Å; Y123-H137 VanDerWaalsContact CB-O 3.28Å; Y123-H137 WeakPolarHBondContact CB-O 3.24Å; G124-H137 PolarHBondContact N-O 3.01Å; G124-H137 PolarHBondContact O-N 2.95Å; D126-H137 IonicContact OD1-CD2 3.85Å; D126-H137 IonicContact OD1-NE2 3.54Å; D126-H137 IonicContact OD2-CD2 3.67Å; D126-H137 IonicContact OD2-CE1 2.8Å; D126-H137 IonicContact OD2-NE2 3.45Å; D126-H137 PolarHBondContact OD2-NE2 2.89Å; R135-H137 WeakPolarHBondContact CD-CE1 3.31Å; R135-H137 PolarHBondContact NE-CE1 2.82Å
138	D	98.6	Very high	96.6	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	111.8	161.8	-163.7	-36.2	0	0	0	108.8	R121 M122 L150 L180	R121-D138 IonicContact CZ-OD1 3.49Å; R121-D138 IonicContact CZ-OD2 3.81Å; R121-D138 IonicContact NE-OD1 2.76Å; R121-D138 PolarHBondContact NE-OD1 2.87Å; R121-D138 IonicContact NE-OD2 3.66Å; R121-D138 PolarHBondContact NE-OD2 2.84Å; R121-D138 IonicContact NH2-OD1 3.28Å; R121-D138 IonicContact NH2-OD2 2.71Å; R121-D138 PolarHBondContact NH2-OD2 2.77Å; M122-D138 WeakPolarHBondContact O-CA 3.31Å; D138-L150 HydrophobicContact CB-CB 3.95Å; D138-L150 HydrophobicContact CB-CD2 4.19Å; D138-L150 WeakPolarHBondContact O-CB 3.25Å; D138-L150 PolarHBondContact O-N 3.32Å; D138-L180 HydrophobicContact CB-CD1 4.26Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.03Å; D138-L180 VanDerWaalsContact OD2-CD2 3.22Å; D138-L180 WeakPolarHBondContact OD2-CD2 3.18Å
139	Q	98.6	Very high	96.8	Very high	86 Å²	86	60.7 Å²	60.7	40%	0.402	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.9	-178.8	65.2	-169.3	17.5	0	0	110.8	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.26Å; R121-Q139 WeakPolarHBondContact CA-O 3.43Å; R121-Q139 WeakPolarHBondContact CG-O 3.32Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 3.96Å; M122-Q139 PolarHBondContact N-O 2.8Å; M122-Q139 PolarHBondContact O-N 2.91Å; Q139-I148 WeakPolarHBondContact CA-O 3.36Å; Q139-A149 HydrophobicContact CB-CB 3.91Å
140	S	98.6	Very high	97.2	Very high	11 Å²	11	56.6 Å²	56.6	8%	0.077	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.4	177.9	-58	0	0	0	0	111.2	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.53Å; Q120-S140 WeakPolarHBondContact O-CA 3.47Å; S140-Y147 WeakPolarHBondContact O-CB 3.41Å; S140-Y147 PolarHBondContact O-N 3Å; S140-I148 PolarHBondContact N-O 3.11Å; S140-I148 PolarHBondContact O-N 3.23Å
141	A	98.8	Very high	97.6	Very high	16 Å²	16	54 Å²	54	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.5	174.8	0	0	0	0	0	110.2	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.46Å; Q120-A141 PolarHBondContact N-O 2.72Å; Q120-A141 PolarHBondContact O-N 2.84Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 2.98Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.26Å
142	Y	98.7	Very high	98	Very high	10 Å²	10	59.7 Å²	59.7	4%	0.039	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128	176.2	-175	-120.7	0	0	0	110.1	L102 L105 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.23Å; L105-Y142 HydrophobicContact CB-CD1 4.39Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 4.03Å; L105-Y142 HydrophobicContact CB-CE2 3.8Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 4.02Å; L105-Y142 HydrophobicContact CG-CD2 4.39Å; L105-Y142 HydrophobicContact CG-CE2 4.47Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.45Å; Y109-Y142 HydrophobicContact CE2-CD1 3.45Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.45Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Q111-Y142 PolarHBondContact OE1-OH 3.11Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.39Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.76Å; I118-Y142 CarbonylContact O-C 3.6Å; I118-Y142 WeakPolarHBondContact O-CA 3.45Å; I118-Y142 WeakPolarHBondContact O-CD2 3.1Å; I119-Y142 HydrophobicContact CB-CD2 4.3Å; Y142-G144 PolarHBondContact O-N 2.8Å; Y142-K145 PolarHBondContact N-O 2.84Å; Y142-K145 PolarHBondContact O-N 3.14Å
143	D	98.2	Very high	98.1	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.332	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	39.8	-174.6	-65.9	-20.1	0	0	0	113.2	Q111 H117 I118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.46Å; H117-D143 WeakPolarHBondContact CA-OD1 3.39Å; H117-D143 WeakPolarHBondContact CB-OD1 3.48Å; H117-D143 IonicContact CE1-OD2 2.97Å; H117-D143 IonicContact CG-OD1 3.11Å; H117-D143 IonicContact CG-OD2 3.69Å; H117-D143 IonicContact ND1-OD1 3.65Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 3.39Å; I118-D143 PolarHBondContact N-OD1 2.88Å; I118-D143 PolarHBondContact O-N 3.16Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.84Å
144	G	97	Very high	98.2	Very high	61 Å²	61	53.4 Å²	53.4	63%	0.629	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	6.1	178.1	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 2.8Å
145	K	98.4	Very high	98.2	Very high	161 Å²	161	51 Å²	51	70%	0.7	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.2	176.7	-62	179.8	-177.8	178.3	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 2.98Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.26Å; Y142-K145 PolarHBondContact N-O 2.84Å; Y142-K145 PolarHBondContact O-N 3.14Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.84Å; K145-Y147 PolarHBondContact O-N 3Å
146	D	98.7	Very high	98.3	Very high	130 Å²	130	47.7 Å²	47.7	70%	0.695	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.8	135.2	174.2	-65.7	-29.9	0	0	0	110.6	A160	D146-A160 WeakPolarHBondContact O-CB 3.42Å
147	Y	98.8	Very high	98.3	Very high	9 Å²	9	48 Å²	48	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-61.6	-179	179.4	-106.4	0	0	0	110.5	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.43Å; L105-Y147 HydrophobicContact CD2-CD2 4.04Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.34Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; S140-Y147 WeakPolarHBondContact O-CB 3.41Å; S140-Y147 PolarHBondContact O-N 3Å; K145-Y147 PolarHBondContact O-N 3Å; Y147-A160 WeakPolarHBondContact O-CB 3.3Å; Y147-A160 PolarHBondContact O-N 2.61Å; Y147-A163 HydrophobicContact CE2-CB 4.38Å; Y147-A163 PolarHBondContact OH-O 2.96Å; Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 HydrophobicContact CE1-CB 4.38Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 VanDerWaalsContact CZ-CA 3.49Å; Y147-A164 WeakPolarHBondContact O-CB 3.42Å; Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 2.98Å
148	I	98.8	Very high	98.4	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	140.7	179.7	-160.7	172.3	0	0	0	110.5	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.36Å; S140-I148 PolarHBondContact N-O 3.11Å; S140-I148 PolarHBondContact O-N 3.23Å; I148-W157 HydrophobicContact CD1-CB 4.36Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CG1-CB 4.43Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; I148-T158 WeakPolarHBondContact CA-O 3.29Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; I148-Q168 HydrophobicContact CD1-CB 3.98Å; I148-W171 HydrophobicContact CD1-CE3 4.12Å; I148-W171 HydrophobicContact CD1-CZ3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 4.17Å; I148-W171 HydrophobicContact CG2-CZ3 3.84Å
149	A	98.8	Very high	98.4	Very high	28 Å²	28	51.7 Å²	51.7	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.5	178.1	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.91Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; A149-T158 PolarHBondContact N-O 2.85Å; A149-T158 PolarHBondContact O-N 2.85Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128	168.3	-176.1	67.8	0	0	0	108.3	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 3.95Å; D138-L150 HydrophobicContact CB-CD2 4.19Å; D138-L150 WeakPolarHBondContact O-CB 3.25Å; D138-L150 PolarHBondContact O-N 3.32Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; L150-W157 HydrophobicContact CB-CE3 4.08Å; L150-W157 HydrophobicContact CB-CH2 4.18Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-A177 HydrophobicContact CD1-CB 4Å; L150-L180 HydrophobicContact CD2-CB 4.23Å; L150-L180 HydrophobicContact CD2-CD1 4.42Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.6	Very high	98.3	Very high	44 Å²	44	52.5 Å²	52.5	24%	0.235	31%	0.31	C	S	.	.			trans	-72.4	163.5	-179.9	-67.3	-28.3	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.96Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 PolarHBondContact O-N 2.84Å; N151-S156 WeakPolarHBondContact CB-O 3.13Å; N151-S156 WeakPolarHBondContact CB-OG 3.37Å; N151-S156 PolarHBondContact N-O 2.87Å; N151-S156 PolarHBondContact ND2-OG 3.17Å; N151-T158 PolarHBondContact ND2-OG1 2.95Å; N151-T158 WeakPolarHBondContact OD1-CB 3.21Å; N151-T158 PolarHBondContact OD1-OG1 2.94Å
152	E	97.4	Very high	98.3	Very high	137 Å²	137	57 Å²	57	64%	0.64	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.5	-178.5	-66.4	-179.2	-174.7	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 2.97Å; R135-E152 IonicContact NH1-OE1 3.59Å; R135-E152 PolarHBondContact NH1-OE1 2.86Å; R135-E152 IonicContact NH2-OE1 3.53Å; R135-E152 PolarHBondContact NH2-OE1 3.05Å; E152-L154 PolarHBondContact O-N 3.03Å
153	D	97.6	Very high	98.3	Very high	79 Å²	79	56.7 Å²	56.7	42%	0.422	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.9	174.1	68.3	22.2	0	0	0	114.1	N151 S155 S156	N151-D153 PolarHBondContact O-N 2.96Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-S155 PolarHBondContact O-N 3.22Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.46Å; D153-S155 PolarHBondContact OD1-N 2.83Å; D153-S155 PolarHBondContact OD1-OG 3.36Å; D153-S155 PolarHBondContact OD2-OG 2.87Å; D153-S156 VanDerWaalsContact CG-OG 3.28Å; D153-S156 PolarHBondContact OD1-N 3.27Å; D153-S156 PolarHBondContact OD1-OG 3.39Å; D153-S156 PolarHBondContact OD2-OG 2.92Å
154	L	98	Very high	98.3	Very high	9 Å²	9	53.8 Å²	53.8	5%	0.047	32%	0.32	C	S	.	.	S	Bend	trans	53.7	28.3	-177.1	-53	-178.5	0	0	0	114	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.34Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; N151-L154 PolarHBondContact O-N 2.84Å; E152-L154 PolarHBondContact O-N 3.03Å; L154-R181 HydrophobicContact CB-CB 4.12Å; L154-R181 HydrophobicContact CB-CG 3.98Å; L154-R181 HydrophobicContact CD1-CG 4.34Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L154-E185 HydrophobicContact CD1-CG 4.09Å
155	S	97.8	Very high	98.4	Very high	70 Å²	70	54.4 Å²	54.4	49%	0.49	31%	0.306	S	S	.	.	S	Bend	trans	-138.5	-27	-174.8	70.2	0	0	0	0	113.5	D153 A177	D153-S155 PolarHBondContact O-N 3.22Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.46Å; D153-S155 PolarHBondContact OD1-N 2.83Å; D153-S155 PolarHBondContact OD1-OG 3.36Å; D153-S155 PolarHBondContact OD2-OG 2.87Å; S155-A177 WeakPolarHBondContact O-CB 3.45Å
156	S	98.1	Very high	98.4	Very high	38 Å²	38	49.5 Å²	49.5	27%	0.266	29%	0.287	S	S	.	.			trans	-118.9	164	-177.8	70	0	0	0	0	112.3	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.13Å; N151-S156 WeakPolarHBondContact CB-OG 3.37Å; N151-S156 PolarHBondContact N-O 2.87Å; N151-S156 PolarHBondContact ND2-OG 3.17Å; D153-S156 VanDerWaalsContact CG-OG 3.28Å; D153-S156 PolarHBondContact OD1-N 3.27Å; D153-S156 PolarHBondContact OD1-OG 3.39Å; D153-S156 PolarHBondContact OD2-OG 2.92Å
157	W	98.8	Very high	98.4	Very high	13 Å²	13	44.1 Å²	44.1	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.5	-174.5	-60.9	94.1	0	0	0	111.5	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.36Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CG1-CB 4.43Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; L150-W157 HydrophobicContact CB-CE3 4.08Å; L150-W157 HydrophobicContact CB-CH2 4.18Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 2.82Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.85Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CH2-CD2 4.39Å; W157-W171 AromaticContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.29Å; W157-W171 HydrophobicContact CH2-CZ3 3.29Å; W157-W171 HydrophobicContact CZ2-CB 4.5Å; W157-W171 HydrophobicContact CZ2-CD2 4.35Å; 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 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.47Å; W157-W171 HydrophobicContact CZ3-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.47Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-V176 HydrophobicContact CH2-CG1 4.42Å; W157-V176 HydrophobicContact CZ2-CB 4.27Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W157-A177 HydrophobicContact CZ2-CB 4.19Å; W157-L180 HydrophobicContact CH2-CD1 3.41Å; W157-L180 VanDerWaalsContact CH2-CD1 3.41Å; W157-L180 HydrophobicContact CZ2-CD1 3.92Å; W157-L180 HydrophobicContact CZ3-CD1 4.49Å
158	T	98.8	Very high	98.4	Very high	78 Å²	78	45.6 Å²	45.6	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.7	164.7	-66.1	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.29Å; A149-T158 PolarHBondContact N-O 2.85Å; A149-T158 PolarHBondContact O-N 2.85Å; N151-T158 PolarHBondContact ND2-OG1 2.95Å; N151-T158 WeakPolarHBondContact OD1-CB 3.21Å; N151-T158 PolarHBondContact OD1-OG1 2.94Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	52.8 Å²	52.8	19%	0.19	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.6	175.6	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 4Å; A159-Q168 HydrophobicContact CB-CB 4.44Å
160	A	98.5	Very high	98.3	Very high	61 Å²	61	56.6 Å²	56.6	50%	0.504	31%	0.305	S	S	.	.	S	Bend	trans	-74.7	-31.1	-175.6	0	0	0	0	0	113.4	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 WeakPolarHBondContact O-CB 3.3Å; Y147-A160 PolarHBondContact O-N 2.61Å
161	D	98.3	Very high	98.3	Very high	53 Å²	53	59.2 Å²	59.2	28%	0.283	31%	0.313	S	S	.	.	S	Bend	trans	-151.7	-175.3	-178.2	67	28.9	0	0	0	113.1	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.28Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.44Å; Y109-D161 PolarHBondContact OH-OD2 3.18Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.6Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.34Å; D161-A163 PolarHBondContact OD1-N 3.24Å; D161-A164 PolarHBondContact O-N 3.03Å; D161-A164 PolarHBondContact OD1-N 2.93Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 2.96Å
162	T	98.3	Very high	98.3	Very high	110 Å²	110	61.7 Å²	61.7	68%	0.675	32%	0.324	S	S	*	.	H	α-helix	trans	-65.6	-27.6	-179.1	51.6	0	0	0	0	113.8
163	A	98.2	Very high	98.4	Very high	5 Å²	5	59.3 Å²	59.3	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-72.8	-43.9	174.9	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.36Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.38Å; Y147-A163 PolarHBondContact OH-O 2.96Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.6Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.34Å; D161-A163 PolarHBondContact OD1-N 3.24Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.48Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.25Å; A163-I166 PolarHBondContact O-N 3.48Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-34.6	173.8	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 HydrophobicContact CE1-CB 4.38Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 VanDerWaalsContact CZ-CA 3.49Å; Y147-A164 WeakPolarHBondContact O-CB 3.42Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 3.03Å; D161-A164 PolarHBondContact OD1-N 2.93Å; A164-I166 PolarHBondContact O-N 3.36Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 2.8Å; A164-Q168 PolarHBondContact O-N 3.41Å
165	Q	98.7	Very high	98.4	Very high	74 Å²	74	65.5 Å²	65.5	35%	0.346	36%	0.357	S	S	.	.	H	α-helix	trans	-60.6	-27.7	173.8	-73.1	174.4	7.7	0	0	112.9	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 2.96Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.48Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.93Å; Q165-R169 VanDerWaalsContact O-N 3.11Å
166	I	98.4	Very high	98.4	Very high	59 Å²	59	63.5 Å²	63.5	30%	0.303	34%	0.342	S	S	.	.	H	α-helix	trans	-66.9	-45.4	173.8	-57.8	170.4	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 4.22Å; Y108-I166 HydrophobicContact CE2-CB 4.23Å; Y108-I166 HydrophobicContact CE2-CG2 3.99Å; Y108-I166 HydrophobicContact CG-CD1 4.09Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.25Å; A163-I166 PolarHBondContact O-N 3.48Å; A164-I166 PolarHBondContact O-N 3.36Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 3.12Å
167	T	98.3	Very high	98.5	Very high	17 Å²	17	62.1 Å²	62.1	10%	0.104	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-45.6	174.9	-68.3	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 2.98Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 2.8Å; T167-R169 PolarHBondContact O-N 3.09Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 3.32Å; T167-K170 VanDerWaalsContact O-N 3.12Å; T167-W171 HydrophobicContact CG2-CD2 3.7Å; T167-W171 HydrophobicContact CG2-CE3 4.2Å; T167-W171 HydrophobicContact CG2-CG 4.04Å; T167-W171 HydrophobicContact CG2-CH2 4.46Å; T167-W171 HydrophobicContact CG2-CZ2 3.97Å; T167-W171 WeakPolarHBondContact O-CB 3.37Å; T167-W171 PolarHBondContact O-N 3.48Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	66.7 Å²	66.7	19%	0.187	36%	0.355	C	S	.	.	H	α-helix	trans	-51.9	-53.6	177.7	176.7	175.4	11.7	0	0	111.5	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.98Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 2.82Å; A159-Q168 HydrophobicContact CB-CB 4.44Å; A164-Q168 PolarHBondContact O-N 3.41Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.37Å; Q168-W171 PolarHBondContact O-N 2.88Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.24Å; Q168-E172 PolarHBondContact NE2-OE1 2.94Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 WeakPolarHBondContact O-CG 3.38Å; Q168-E172 PolarHBondContact O-N 2.92Å
169	R	98.7	Very high	98.4	Very high	155 Å²	155	69.6 Å²	69.6	59%	0.585	36%	0.363	S	S	*	.	H	α-helix	trans	-58.9	-38.9	179.9	-68.9	171.2	-166.4	151.6	8.3	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.93Å; Q165-R169 VanDerWaalsContact O-N 3.11Å; T167-R169 PolarHBondContact O-N 3.09Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 2.71Å
170	K	98.3	Very high	98.3	Very high	109 Å²	109	69.5 Å²	69.5	47%	0.474	36%	0.359	S	S	.	.	H	α-helix	trans	-66.4	-43.2	176.5	-71.9	178	175.7	-173.6	0	111.6	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.28Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 3.12Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 3.32Å; T167-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.37Å; K170-A174 VanDerWaalsContact O-CB 3.28Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 2.98Å
171	W	98.3	Very high	98.3	Very high	69 Å²	69	71.7 Å²	71.7	26%	0.261	36%	0.355	S	S	.	.	H	α-helix	trans	-71.1	-36.5	-178.7	-76.5	10.8	0	0	0	112.5	I148 W157 T167 Q168 A174 R175 V176	I148-W171 HydrophobicContact CD1-CE3 4.12Å; I148-W171 HydrophobicContact CD1-CZ3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 4.17Å; I148-W171 HydrophobicContact CG2-CZ3 3.84Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.85Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CH2-CD2 4.39Å; W157-W171 AromaticContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.29Å; W157-W171 HydrophobicContact CH2-CZ3 3.29Å; W157-W171 HydrophobicContact CZ2-CB 4.5Å; W157-W171 HydrophobicContact CZ2-CD2 4.35Å; 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 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.47Å; W157-W171 HydrophobicContact CZ3-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.47Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.7Å; T167-W171 HydrophobicContact CG2-CE3 4.2Å; T167-W171 HydrophobicContact CG2-CG 4.04Å; T167-W171 HydrophobicContact CG2-CH2 4.46Å; T167-W171 HydrophobicContact CG2-CZ2 3.97Å; T167-W171 WeakPolarHBondContact O-CB 3.37Å; T167-W171 PolarHBondContact O-N 3.48Å; Q168-W171 PolarHBondContact O-N 2.88Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.92Å; W171-R175 PolarHBondContact O-N 3.01Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.15Å; W171-V176 HydrophobicContact CG-CG1 4.42Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 3.32Å
172	E	98.6	Very high	98.3	Very high	96 Å²	96	72.3 Å²	72.3	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-48.7	171.4	-72.6	169.7	174.1	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.24Å; Q168-E172 PolarHBondContact NE2-OE1 2.94Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 WeakPolarHBondContact O-CG 3.38Å; Q168-E172 PolarHBondContact O-N 2.92Å; E172-A174 PolarHBondContact O-N 3.13Å; E172-R175 PolarHBondContact O-N 3.33Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	69.7 Å²	69.7	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-60.6	-35.1	177.2	0	0	0	0	0	112.7	R169	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 2.71Å
174	A	98.2	Very high	98.3	Very high	61 Å²	61	69.5 Å²	69.5	50%	0.504	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.1	177.1	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.28Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 2.98Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.92Å; E172-A174 PolarHBondContact O-N 3.13Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.07Å; A174-V176 PolarHBondContact O-N 3.19Å
175	R	98.1	Very high	98.3	Very high	156 Å²	156	73.7 Å²	73.7	59%	0.589	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	40.1	-179.1	-61.2	174.9	172.1	-132.1	6.8	113.8	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.01Å; E172-R175 PolarHBondContact O-N 3.33Å; R175-A177 PolarHBondContact O-N 2.93Å; R175-E178 HydrophobicContact CB-CG 4.27Å; R175-E178 WeakPolarHBondContact CD-OE1 3.5Å; R175-E178 IonicContact CZ-OE1 2.64Å; R175-E178 IonicContact NE-OE1 3.59Å; R175-E178 IonicContact NH1-OE1 3.64Å; R175-E178 PolarHBondContact NH1-OE1 2.84Å; R175-E178 IonicContact NH1-OE2 3.93Å; R175-E178 PolarHBondContact O-N 3.18Å
176	V	98.4	Very high	98.3	Very high	29 Å²	29	71.2 Å²	71.2	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-35.6	-177.9	175.8	0	0	0	0	111.7	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.42Å; W157-V176 HydrophobicContact CZ2-CB 4.27Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.15Å; W171-V176 HydrophobicContact CG-CG1 4.42Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 3.32Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.07Å; A174-V176 PolarHBondContact O-N 3.19Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.41Å; V176-Q179 PolarHBondContact O-N 3.28Å; V176-L180 HydrophobicContact CG1-CD1 3.88Å; V176-L180 HydrophobicContact CG1-CG 4.2Å; V176-L180 WeakPolarHBondContact O-CG 3.43Å; V176-L180 PolarHBondContact O-N 2.85Å
177	A	98.4	Very high	98.2	Very high	8 Å²	8	71.4 Å²	71.4	7%	0.066	36%	0.359	C	S	.	.	H	α-helix	trans	-59.8	-37.7	178.5	0	0	0	0	0	112.6	L150 S155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4Å; S155-A177 WeakPolarHBondContact O-CB 3.45Å; W157-A177 HydrophobicContact CZ2-CB 4.19Å; R175-A177 PolarHBondContact O-N 2.93Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.03Å; A177-L180 PolarHBondContact O-N 3.29Å; A177-R181 VanDerWaalsContact O-CB 3.24Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 3.34Å
178	E	98.1	Very high	98.3	Very high	109 Å²	109	70.6 Å²	70.6	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-62.8	-40.2	177.7	-63.3	177.6	-162	0	0	111.5	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.27Å; R175-E178 WeakPolarHBondContact CD-OE1 3.5Å; R175-E178 IonicContact CZ-OE1 2.64Å; R175-E178 IonicContact NE-OE1 3.59Å; R175-E178 IonicContact NH1-OE1 3.64Å; R175-E178 PolarHBondContact NH1-OE1 2.84Å; R175-E178 IonicContact NH1-OE2 3.93Å; R175-E178 PolarHBondContact O-N 3.18Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.41Å; E178-A182 WeakPolarHBondContact O-CB 3.28Å; E178-A182 PolarHBondContact O-N 3.34Å
179	Q	97.6	Very high	98.2	Very high	139 Å²	139	69 Å²	69	65%	0.65	35%	0.347	S	S	*	.	H	α-helix	trans	-68.6	-42.8	177.9	-60.9	179.6	7.2	0	0	111.8	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 3.28Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.03Å; Q179-A182 PolarHBondContact O-N 2.87Å; Q179-Y183 PolarHBondContact O-N 2.76Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å
180	L	98.1	Very high	98.2	Very high	22 Å²	22	67.3 Å²	67.3	12%	0.115	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-43.3	178.1	-69.1	174.4	0	0	0	111.4	D138 L150 W157 V176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.26Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.03Å; D138-L180 VanDerWaalsContact OD2-CD2 3.22Å; D138-L180 WeakPolarHBondContact OD2-CD2 3.18Å; L150-L180 HydrophobicContact CD2-CB 4.23Å; L150-L180 HydrophobicContact CD2-CD1 4.42Å; W157-L180 HydrophobicContact CH2-CD1 3.41Å; W157-L180 VanDerWaalsContact CH2-CD1 3.41Å; W157-L180 HydrophobicContact CZ2-CD1 3.92Å; W157-L180 HydrophobicContact CZ3-CD1 4.49Å; V176-L180 HydrophobicContact CG1-CD1 3.88Å; V176-L180 HydrophobicContact CG1-CG 4.2Å; V176-L180 WeakPolarHBondContact O-CG 3.43Å; V176-L180 PolarHBondContact O-N 2.85Å; A177-L180 PolarHBondContact O-N 3.29Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 2.75Å; L180-Y183 WeakPolarHBondContact O-CB 3.22Å; L180-Y183 PolarHBondContact O-N 3.23Å; L180-Y183 VanDerWaalsContact O-N 3.17Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 VanDerWaalsContact O-CG 3.22Å; L180-L184 WeakPolarHBondContact O-CG 3.2Å; L180-L184 PolarHBondContact O-N 2.81Å
181	R	98.3	Very high	98.2	Very high	107 Å²	107	64.9 Å²	64.9	40%	0.404	33%	0.333	S	S	.	.	H	α-helix	trans	-56.5	-48.5	173.9	-178	179.5	176	157.9	13.6	111.6	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.12Å; L154-R181 HydrophobicContact CB-CG 3.98Å; L154-R181 HydrophobicContact CD1-CG 4.34Å; A177-R181 VanDerWaalsContact O-CB 3.24Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 3.34Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 2.04Å; R181-L184 PolarHBondContact O-N 3.32Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 WeakPolarHBondContact CG-OE2 3.42Å; R181-E185 IonicContact CZ-OE1 3.88Å; R181-E185 IonicContact CZ-OE2 2.82Å; R181-E185 VanDerWaalsContact NE-CD 3.27Å; R181-E185 IonicContact NE-OE1 3.35Å; R181-E185 PolarHBondContact NE-OE1 2.81Å; R181-E185 IonicContact NE-OE2 3.31Å; R181-E185 PolarHBondContact NE-OE2 2.62Å; R181-E185 IonicContact NH2-OE1 3.57Å; R181-E185 PolarHBondContact NH2-OE1 3.04Å; R181-E185 IonicContact NH2-OE2 3.76Å; R181-E185 WeakPolarHBondContact O-CB 3.05Å; R181-E185 PolarHBondContact O-N 2.92Å
182	A	98.4	Very high	98.2	Very high	66 Å²	66	61.6 Å²	61.6	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-59.4	-37.9	177.6	0	0	0	0	0	112.6	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.28Å; E178-A182 PolarHBondContact O-N 3.34Å; Q179-A182 PolarHBondContact O-N 2.87Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 2.75Å; A182-G186 PolarHBondContact O-N 3.29Å
183	Y	98.3	Very high	98.2	Very high	55 Å²	55	62.8 Å²	62.8	22%	0.216	32%	0.321	C	S	.	.	I	π-helix	trans	-68.1	-48.2	173.2	171.2	-96.9	0	0	0	112.4	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.82Å; Y123-Y183 HydrophobicContact CD2-CE1 3.82Å; Y123-Y183 AromaticContact CE2-CE1 3.65Å; Y123-Y183 HydrophobicContact CE2-CE1 3.65Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å; Q179-Y183 PolarHBondContact O-N 2.76Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å; L180-Y183 WeakPolarHBondContact O-CB 3.22Å; L180-Y183 PolarHBondContact O-N 3.23Å; L180-Y183 VanDerWaalsContact O-N 3.17Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 2.04Å; Y183-G186 CarbonylContact O-C 3.51Å; Y183-G186 PolarHBondContact O-N 3.01Å; Y183-L187 HydrophobicContact CD2-CB 3.81Å; Y183-L187 HydrophobicContact CD2-CD1 4.16Å; Y183-L187 HydrophobicContact CE2-CB 4.04Å; Y183-L187 PolarHBondContact O-N 3.16Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.35Å; Y183-C188 PolarHBondContact O-N 3.24Å
184	L	98.5	Very high	98.1	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	31%	0.308	C	S	.	.	I	π-helix	trans	-70	-39.3	-173.7	-70.4	171.5	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.4Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 VanDerWaalsContact O-CG 3.22Å; L180-L184 WeakPolarHBondContact O-CG 3.2Å; L180-L184 PolarHBondContact O-N 2.81Å; R181-L184 PolarHBondContact O-N 3.32Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å
185	E	98	Very high	98.1	Very high	88 Å²	88	61.5 Å²	61.5	41%	0.411	28%	0.284	S	S	.	.	I	π-helix	trans	-80.1	-23.9	176.8	-67.9	-179.7	157.8	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.69Å; L154-E185 HydrophobicContact CD1-CG 4.09Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 WeakPolarHBondContact CG-OE2 3.42Å; R181-E185 IonicContact CZ-OE1 3.88Å; R181-E185 IonicContact CZ-OE2 2.82Å; R181-E185 VanDerWaalsContact NE-CD 3.27Å; R181-E185 IonicContact NE-OE1 3.35Å; R181-E185 PolarHBondContact NE-OE1 2.81Å; R181-E185 IonicContact NE-OE2 3.31Å; R181-E185 PolarHBondContact NE-OE2 2.62Å; R181-E185 IonicContact NH2-OE1 3.57Å; R181-E185 PolarHBondContact NH2-OE1 3.04Å; R181-E185 IonicContact NH2-OE2 3.76Å; R181-E185 WeakPolarHBondContact O-CB 3.05Å; R181-E185 PolarHBondContact O-N 2.92Å
186	G	97.9	Very high	98	Very high	21 Å²	21	54.8 Å²	54.8	22%	0.216	26%	0.26	C	S	.	.	I	π-helix	trans	-107.7	-93.1	-178.4	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.29Å; Y183-G186 CarbonylContact O-C 3.51Å; Y183-G186 PolarHBondContact O-N 3.01Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.04Å; G186-V189 WeakPolarHBondContact O-CB 3.22Å; G186-V189 PolarHBondContact O-N 2.84Å; G186-E190 PolarHBondContact O-N 3.1Å
187	L	97.6	Very high	97.9	Very high	64 Å²	64	59.2 Å²	59.2	34%	0.335	28%	0.279	S	S	.	.	I	π-helix	trans	-55.4	-39.5	-170.1	-71.2	175.7	0	0	0	113.6	Y183 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.81Å; Y183-L187 HydrophobicContact CD2-CD1 4.16Å; Y183-L187 HydrophobicContact CE2-CB 4.04Å; Y183-L187 PolarHBondContact O-N 3.16Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; L187-E190 PolarHBondContact O-N 2.88Å; L187-W191 WeakPolarHBondContact O-CB 3.5Å; L187-W191 PolarHBondContact O-N 2.63Å
188	C	98.4	Very high	97.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-47.2	178.7	-170.3	0	0	0	0	111.2	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-SG 3.47Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.32Å; C125-C188 PolarHBondContact N-SG 3.12Å; C125-C188 WeakPolarHBondContact SG-CB 3.23Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.27Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.35Å; Y183-C188 PolarHBondContact O-N 3.24Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.04Å; C188-L192 VanDerWaalsContact O-CB 3.3Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 3.3Å
189	V	98.3	Very high	97.8	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-45.8	177.7	179.8	0	0	0	0	111.1	L127 L133 L184 G186 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.29Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.88Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.11Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å; G186-V189 WeakPolarHBondContact O-CB 3.22Å; G186-V189 PolarHBondContact O-N 2.84Å; V189-L192 PolarHBondContact O-N 2.91Å; V189-R193 WeakPolarHBondContact O-CG 3.04Å; V189-R193 PolarHBondContact O-N 2.88Å
190	E	98.1	Very high	97.6	Very high	118 Å²	118	54.9 Å²	54.9	55%	0.551	26%	0.258	S	S	*	.	H	α-helix	trans	-60.6	-47.9	179.8	-70.8	175.6	-179.6	0	0	112	G186 L187 R194	G186-E190 PolarHBondContact O-N 3.1Å; L187-E190 PolarHBondContact O-N 2.88Å; E190-R194 PolarHBondContact O-N 3.36Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98.2	Very high	97.3	Very high	59 Å²	59	61.9 Å²	61.9	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-42.4	179.2	-82.8	109.4	0	0	0	112.4	M29 Y83 L187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.43Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.08Å; Y83-W191 AromaticContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CE2-CE3 4.46Å; Y83-W191 AromaticContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CZ2 4.37Å; Y83-W191 AromaticContact CE2-CZ3 3.96Å; Y83-W191 HydrophobicContact CE2-CZ3 3.96Å; L187-W191 WeakPolarHBondContact O-CB 3.5Å; L187-W191 PolarHBondContact O-N 2.63Å; W191-R193 PolarHBondContact O-N 2.92Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.09Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CD2-CE1 4.49Å; W191-Y195 HydrophobicContact CE3-CD1 4.33Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.8Å; W191-Y195 HydrophobicContact CZ3-CE1 3.8Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.28Å; W191-Y195 PolarHBondContact O-N 3.35Å
192	L	98.4	Very high	97	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-44.6	177.2	175.1	50.8	0	0	0	111.4	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.35Å; M29-L192 HydrophobicContact SD-CB 4.47Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; L127-L192 HydrophobicContact CB-CD2 4.46Å; L127-L192 HydrophobicContact CD1-CB 4.18Å; L127-L192 HydrophobicContact CD1-CD2 3.65Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.24Å; C188-L192 VanDerWaalsContact O-CB 3.3Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 3.3Å; V189-L192 PolarHBondContact O-N 2.91Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.97Å; L192-Y195 PolarHBondContact O-N 3Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.85Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.15Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.16Å; L192-L196 PolarHBondContact O-N 3.13Å
193	R	97.4	Very high	96.8	Very high	121 Å²	121	55.9 Å²	55.9	46%	0.457	26%	0.258	S	S	.	.	H	α-helix	trans	-58.8	-43.9	174.3	-72.7	175.6	-175.8	161.8	0.1	112.1	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.97Å; G131-R193 VanDerWaalsContact O-CZ 3.25Å; G131-R193 PolarHBondContact O-NE 3.28Å; G131-R193 PolarHBondContact O-NH2 2.91Å; V189-R193 WeakPolarHBondContact O-CG 3.04Å; V189-R193 PolarHBondContact O-N 2.88Å; W191-R193 PolarHBondContact O-N 2.92Å; R193-L196 PolarHBondContact O-N 3.25Å; R193-E197 PolarHBondContact O-N 2.71Å
194	R	97.5	Very high	96.5	Very high	120 Å²	120	57.7 Å²	57.7	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-44	176.4	176.7	174.5	171.8	141.3	-0.4	111.7	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.67Å; E79-R194 VanDerWaalsContact OE1-CZ 3.28Å; E79-R194 IonicContact OE1-NE 2.76Å; E79-R194 PolarHBondContact OE1-NE 2.8Å; E79-R194 IonicContact OE1-NH2 3.01Å; E79-R194 PolarHBondContact OE1-NH2 3.39Å; E79-R194 IonicContact OE2-CZ 2.92Å; E79-R194 IonicContact OE2-NE 3.69Å; E79-R194 IonicContact OE2-NH2 3.8Å; E79-R194 PolarHBondContact OE2-NH2 2.86Å; E190-R194 PolarHBondContact O-N 3.36Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.09Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.97Å; R194-E197 PolarHBondContact O-N 2.87Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.36Å; R194-N198 PolarHBondContact O-N 3.45Å; R194-N198 PolarHBondContact O-OD1 3.13Å
195	Y	97.9	Very high	96.2	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-39.2	178.4	-61.6	-27.3	0	0	0	112.4	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å; V52-Y195 HydrophobicContact CG2-CD2 3.91Å; V52-Y195 HydrophobicContact CG2-CG 4.42Å; F57-Y195 HydrophobicContact CD2-CE2 4.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.28Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 AromaticContact CE2-CZ 3.95Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.8Å; F57-Y195 HydrophobicContact CZ-CE2 3.8Å; W75-Y195 HydrophobicContact CE3-CD1 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.2Å; W75-Y195 AromaticContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD1 3.76Å; W75-Y195 HydrophobicContact CZ3-CD2 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.69Å; W75-Y195 HydrophobicContact CZ3-CG 3.69Å; I76-Y195 HydrophobicContact CD1-CD1 3.85Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.46Å; Y83-Y195 PolarHBondContact OH-OH 2.85Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CD2-CE1 4.49Å; W191-Y195 HydrophobicContact CE3-CD1 4.33Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.8Å; W191-Y195 HydrophobicContact CZ3-CE1 3.8Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.28Å; W191-Y195 PolarHBondContact O-N 3.35Å; L192-Y195 PolarHBondContact O-N 3Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 2.9Å; Y195-N198 PolarHBondContact O-N 3.34Å; Y195-G199 WeakPolarHBondContact O-CA 3.43Å; Y195-G199 PolarHBondContact O-N 2.86Å; Y195-L203 WeakPolarHBondContact O-CD1 3.23Å
196	L	96.8	Very high	96.1	Very high	15 Å²	15	60.6 Å²	60.6	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-36.4	174.9	-70.8	168.8	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.48Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.85Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.15Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.16Å; L192-L196 PolarHBondContact O-N 3.13Å; R193-L196 PolarHBondContact O-N 3.25Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.11Å; L196-K200 PolarHBondContact O-N 3.12Å; L196-K200 VanDerWaalsContact O-N 3.1Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 HydrophobicContact CD2-CG 4.47Å; L196-Q204 PolarHBondContact O-NE2 2.8Å
197	E	96.4	Very high	96	Very high	122 Å²	122	61.3 Å²	61.3	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-71.5	-49.7	174.6	-172	58.7	-152.2	0	0	111	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.71Å; R194-E197 PolarHBondContact O-N 2.87Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 2.9Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.48Å; E197-K200 WeakPolarHBondContact O-CB 3.36Å; E197-K200 PolarHBondContact O-N 2.98Å
198	N	96.8	Very high	96	Very high	52 Å²	52	61.3 Å²	61.3	28%	0.278	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-38.8	178.6	-78.4	2.2	0	0	0	112.9	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.02Å; E79-N198 PolarHBondContact OE1-ND2 2.9Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.36Å; R194-N198 PolarHBondContact O-N 3.45Å; R194-N198 PolarHBondContact O-OD1 3.13Å; Y195-N198 PolarHBondContact O-N 3.34Å
199	G	95.9	Very high	96	Very high	3 Å²	3	61.8 Å²	61.8	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	13.8	-176.4	0	0	0	0	0	114.2	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.43Å; Y195-G199 PolarHBondContact O-N 2.86Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.48Å; G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.19Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.52Å; G199-T202 WeakPolarHBondContact O-CA 3.36Å; G199-T202 PolarHBondContact O-N 2.81Å; G199-T202 PolarHBondContact O-OG1 2.93Å; G199-L203 PolarHBondContact O-N 2.79Å
200	K	94.2	Very high	96	Very high	110 Å²	110	68.9 Å²	68.9	48%	0.478	32%	0.319	S	S	.	.	H	α-helix	trans	-48.6	-44.8	-168.9	-177.8	173.5	-174.7	172.9	0	115.1	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.11Å; L196-K200 PolarHBondContact O-N 3.12Å; L196-K200 VanDerWaalsContact O-N 3.1Å; E197-K200 WeakPolarHBondContact O-CB 3.36Å; E197-K200 PolarHBondContact O-N 2.98Å; K200-T202 PolarHBondContact O-N 3.49Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-Q204 HydrophobicContact CG-CB 4.5Å; K200-Q204 PolarHBondContact O-N 3.2Å
201	E	92.2	Very high	96	Very high	168 Å²	168	64.9 Å²	64.9	79%	0.785	30%	0.302	S	S	*	.	H	α-helix	trans	-62.8	-22.8	179.9	-62.5	-172.1	161.7	0	0	113.7	G199 R205	G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.19Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CB 3.43Å; E201-R205 PolarHBondContact O-NH1 3.12Å
202	T	92.2	Very high	96	Very high	43 Å²	43	65.9 Å²	65.9	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-100.8	-70.5	177.1	55.3	0	0	0	0	109.9	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.52Å; G199-T202 WeakPolarHBondContact O-CA 3.36Å; G199-T202 PolarHBondContact O-N 2.81Å; G199-T202 PolarHBondContact O-OG1 2.93Å; K200-T202 PolarHBondContact O-N 3.49Å; K200-T202 VanDerWaalsContact O-N 3.16Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.44Å; T202-R205 WeakPolarHBondContact O-CB 3.37Å; T202-R205 PolarHBondContact O-N 2.92Å; T202-R263 VanDerWaalsContact CA-NH1 3.29Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 3.14Å; T202-R263 PolarHBondContact O-NH2 3.27Å
203	L	93.3	Very high	95.9	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-60.5	-33.3	-168.4	-61.6	172	0	0	0	114.2	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.17Å; W75-L203 HydrophobicContact CD2-CD1 4.48Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å; Y195-L203 WeakPolarHBondContact O-CD1 3.23Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 PolarHBondContact O-N 2.79Å; L203-R205 VanDerWaalsContact C-N 3.34Å
204	Q	91.9	Very high	95.9	Very high	94 Å²	94	62.8 Å²	62.8	44%	0.439	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	13.2	179.9	-58.7	-179.6	38.4	0	0	112.7	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.47Å; L196-Q204 PolarHBondContact O-NE2 2.8Å; K200-Q204 HydrophobicContact CG-CB 4.5Å; K200-Q204 PolarHBondContact O-N 3.2Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.44Å
205	R	93.1	Very high	95.9	Very high	119 Å²	119	59.6 Å²	59.6	45%	0.449	29%	0.294	S	S	.	.			trans	-107.7	117.2	177	-169.9	-176.4	79.6	-151.1	2.8	110.1	E201 T202 L203 D207 Y233	E201-R205 WeakPolarHBondContact O-CB 3.43Å; E201-R205 PolarHBondContact O-NH1 3.12Å; T202-R205 WeakPolarHBondContact O-CB 3.37Å; T202-R205 PolarHBondContact O-N 2.92Å; L203-R205 VanDerWaalsContact C-N 3.34Å; R205-D207 IonicContact CZ-OD1 3.77Å; R205-D207 IonicContact CZ-OD2 2.91Å; R205-D207 IonicContact NE-OD1 3.68Å; R205-D207 PolarHBondContact NE-OD1 3.22Å; R205-D207 IonicContact NE-OD2 2.85Å; R205-D207 IonicContact NH2-OD1 3.4Å; R205-D207 PolarHBondContact NH2-OD1 3.44Å; R205-D207 IonicContact NH2-OD2 3.76Å; R205-D207 PolarHBondContact NH2-OD2 3.06Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å
206	A	94.9	Very high	95.7	Very high	31 Å²	31	63.4 Å²	63.4	26%	0.256	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-85.5	126.5	166.9	0	0	0	0	0	110.1	Y233 E288	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; A206-E288 HydrophobicContact CB-CG 4.37Å
207	D	96.4	Very high	95.6	Very high	35 Å²	35	67.5 Å²	67.5	19%	0.187	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-99.6	116.8	175	-67.6	-33.1	0	0	0	107.8	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.77Å; R205-D207 IonicContact CZ-OD2 2.91Å; R205-D207 IonicContact NE-OD1 3.68Å; R205-D207 PolarHBondContact NE-OD1 3.22Å; R205-D207 IonicContact NE-OD2 2.85Å; R205-D207 IonicContact NH2-OD1 3.4Å; R205-D207 PolarHBondContact NH2-OD1 3.44Å; R205-D207 IonicContact NH2-OD2 3.76Å; R205-D207 PolarHBondContact NH2-OD2 3.06Å; D207-F232 CarbonylContact O-C 3.53Å; D207-F232 WeakPolarHBondContact O-CA 3.25Å; D207-F232 WeakPolarHBondContact O-CB 3.21Å; D207-Y233 PolarHBondContact N-O 3.45Å; D207-Y233 PolarHBondContact O-N 2.85Å; D207-H287 PolarHBondContact O-CE1 3.43Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å
208	P	97.6	Very high	95.3	Very high	65 Å²	65	66.1 Å²	66.1	42%	0.422	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-70.5	150	-176.2	25.2	-32.7	0	0	0	112.6	L290	P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.44Å
209	P	98.3	Very high	95.1	Very high	9 Å²	9	66.3 Å²	66.3	6%	0.058	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-67.6	135.2	178.8	28.4	-35.4	0	0	0	112.3	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.09Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 3.94Å; P209-I237 HydrophobicContact CG-CD1 4Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.06Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	98.3	Very high	94.8	Very high	157 Å²	157	73.4 Å²	73.4	68%	0.683	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	109.4	162.9	-64	173.9	-173.9	169.7	0	108.1	L230	K210-L230 PolarHBondContact N-O 3.49Å; K210-L230 PolarHBondContact O-N 3.21Å
211	T	98.2	Very high	94.7	Very high	34 Å²	34	75.1 Å²	75.1	21%	0.209	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.7	-172.3	54.2	0	0	0	0	112.8	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.09Å; T211-W228 WeakPolarHBondContact CA-O 3.26Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 4Å; T211-L294 HydrophobicContact CG2-CD1 4.28Å; T211-L296 HydrophobicContact CG2-CD1 4.38Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.43Å
212	H	97.4	Very high	94.9	Very high	80 Å²	80	71.5 Å²	71.5	37%	0.37	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	158.9	171.2	63.7	-75.8	0	0	0	110.7	W228	H212-W228 WeakPolarHBondContact CE1-CB 3.24Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.67Å; H212-W228 PolarHBondContact N-O 3.02Å; H212-W228 AromaticContact NE2-CD1 3.5Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.45Å
213	V	98.2	Very high	95	Very high	21 Å²	21	69.5 Å²	69.5	13%	0.127	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.9	176.6	179.8	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; V213-R226 WeakPolarHBondContact CA-O 3.39Å; V213-C227 HydrophobicContact CG2-CB 4.4Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.24Å; V213-L296 HydrophobicContact CG2-CB 3.82Å; V213-W298 HydrophobicContact CB-CB 4.5Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.9	Very high	95.2	Very high	35 Å²	35	70.3 Å²	70.3	22%	0.215	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147.3	174.6	52.6	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.17Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; T214-R226 PolarHBondContact N-O 3.19Å; T214-R226 PolarHBondContact O-N 2.95Å; T214-R226 WeakPolarHBondContact OG1-CB 3.19Å; T214-R226 PolarHBondContact OG1-O 3.39Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 2.89Å
215	H	96.2	Very high	95.5	Very high	53 Å²	53	65.9 Å²	65.9	25%	0.245	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.3	-179.5	169.8	-91.8	0	0	0	109.4	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.74Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 4Å
216	H	94.6	Very high	95.8	Very high	82 Å²	82	62.7 Å²	62.7	38%	0.38	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	105.3	-179.7	-58.5	83.9	0	0	0	108.8	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.17Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; H216-V218 PolarHBondContact O-N 3.43Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.43Å; H216-T224 PolarHBondContact N-O 3.06Å; H216-T224 PolarHBondContact O-N 3.01Å; H216-R226 PolarHBondContact CE1-NH1 3.19Å; H216-R226 VanDerWaalsContact CE1-NH1 3.34Å
217	P	93.8	Very high	96	Very high	100 Å²	100	61.2 Å²	61.2	65%	0.649	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	131.3	172.7	-19.6	30	0	0	0	110.4
218	V	91.1	Very high	96.1	Very high	94 Å²	94	61.8 Å²	61.8	57%	0.57	32%	0.321	S	S	*	.			trans	-104.6	-40.9	176.1	-179.3	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.43Å; V218-E222 PolarHBondContact N-O 2.94Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.43Å
219	S	91.8	Very high	96.1	Very high	56 Å²	56	58.7 Å²	58.7	39%	0.392	30%	0.301	S	S	.	.	S	Bend	trans	-147.6	-178.8	174.7	72.4	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.45Å; S219-H221 PolarHBondContact OG-N 3.11Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 3.41Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3.19Å
220	D	89.3	Confident	96.1	Very high	151 Å²	151	60.7 Å²	60.7	81%	0.807	31%	0.311	S	S	*	.	S	Bend	trans	-62.9	-20.7	172.5	-65.9	-22.1	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 2.85Å
221	H	93.2	Very high	96.1	Very high	147 Å²	147	54.4 Å²	54.4	68%	0.681	29%	0.291	S	S	*	.	S	Bend	trans	-105.4	-16	-174.5	-55.9	-50.1	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.45Å; S219-H221 PolarHBondContact OG-N 3.11Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; H221-P274 CarbonylContact O-C 3.5Å; H221-P274 WeakPolarHBondContact O-CA 3.25Å; H221-S275 PolarHBondContact O-N 3.41Å; H221-S275 PolarHBondContact O-OG 3.48Å
222	E	95.3	Very high	96.1	Very high	92 Å²	92	52.8 Å²	52.8	43%	0.43	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146	-171.6	-65.9	-179.8	170.7	0	0	112.8	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.94Å; S219-E222 PolarHBondContact N-O 3.41Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3.19Å; E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; E222-V273 WeakPolarHBondContact CA-O 3.18Å; E222-S275 PolarHBondContact N-OG 2.84Å
223	A	96.1	Very high	96	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.7	171.5	0	0	0	0	0	110.9	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.39Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.43Å; A223-V272 WeakPolarHBondContact O-CA 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 2.87Å; A223-V273 WeakPolarHBondContact O-CG2 3.39Å; A223-V273 PolarHBondContact O-N 2.89Å
224	T	97.7	Very high	95.9	Very high	21 Å²	21	49 Å²	49	13%	0.129	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.2	170.3	-54.9	0	0	0	0	109.8	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.06Å; H216-T224 PolarHBondContact O-N 3.01Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.43Å; T224-A270 HydrophobicContact CG2-CB 3.92Å; T224-V271 WeakPolarHBondContact CA-O 3.47Å
225	L	98.1	Very high	95.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.4	164.9	-63.7	-175.4	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.44Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 2.87Å; L225-V271 PolarHBondContact O-N 2.91Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.44Å; L225-W298 HydrophobicContact CD2-CG 3.99Å
226	R	98.4	Very high	95.8	Very high	52 Å²	52	50.9 Å²	50.9	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.4	176.2	-178.7	-178.2	-61.7	112.5	3.2	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.39Å; T214-R226 PolarHBondContact N-O 3.19Å; T214-R226 PolarHBondContact O-N 2.95Å; T214-R226 WeakPolarHBondContact OG1-CB 3.19Å; T214-R226 PolarHBondContact OG1-O 3.39Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; H216-R226 PolarHBondContact CE1-NH1 3.19Å; H216-R226 VanDerWaalsContact CE1-NH1 3.34Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.47Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227	C	98.4	Very high	95.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.6	175.7	-173.8	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.4Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.42Å; C227-A269 PolarHBondContact N-O 3.3Å; C227-A269 PolarHBondContact O-N 3.09Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.38Å; C227-C283 WeakPolarHBondContact SG-CB 3.48Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.23Å
228	W	98.5	Very high	96.1	Very high	47 Å²	47	45.3 Å²	45.3	18%	0.178	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.3	179.9	-70.2	89.9	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.26Å; H212-W228 WeakPolarHBondContact CE1-CB 3.24Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.67Å; H212-W228 PolarHBondContact N-O 3.02Å; H212-W228 AromaticContact NE2-CD1 3.5Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.45Å; T214-W228 PolarHBondContact OG1-NE1 2.89Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å
229	A	98.6	Very high	96.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.1	162.5	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.89Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; A229-I237 HydrophobicContact CB-CD1 3.56Å; A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.32Å; A229-K267 PolarHBondContact N-O 3.24Å; A229-K267 PolarHBondContact O-N 2.92Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.4	Very high	96.7	Very high	52 Å²	52	40.4 Å²	40.4	27%	0.272	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.3	-174.3	-58.5	177.5	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.49Å; K210-L230 PolarHBondContact O-N 3.21Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 2.85Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.7	Very high	97.2	Very high	25 Å²	25	33.3 Å²	33.3	26%	0.258	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.1	28.2	167.2	0	0	0	0	0	114.2	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.3Å; G231-F265 PolarHBondContact N-O 2.86Å
232	F	97.9	Very high	97.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	155.5	-178.6	60.7	-90.2	0	0	0	113	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.53Å; D207-F232 WeakPolarHBondContact O-CA 3.25Å; D207-F232 WeakPolarHBondContact O-CB 3.21Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.89Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 2.85Å; F232-P234 WeakPolarHBondContact CD2-O 3.49Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 4.07Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.31Å; F232-I237 HydrophobicContact CE2-CB 3.71Å; F232-I237 HydrophobicContact CE2-CD1 4.02Å; F232-I237 HydrophobicContact CE2-CG1 4.46Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.01Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.46Å; F232-I237 VanDerWaalsContact CZ-CG2 3.46Å; F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.8Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.39Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.34Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.31Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.63Å; F232-F265 PolarHBondContact N-O 3.06Å; F232-F265 PolarHBondContact O-N 3.35Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.77Å; F232-H287 AromaticContact CD2-NE2 3.64Å
233	Y	96.5	Very high	97.5	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.016	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-150.4	136.5	172	177.6	-85	0	0	0	108.8	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.96Å; T55-Y233 PolarHBondContact OG1-OH 3.39Å; T55-Y233 VanDerWaalsContact OG1-OH 3.09Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; D207-Y233 PolarHBondContact N-O 3.45Å; D207-Y233 PolarHBondContact O-N 2.85Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.32Å; Y233-R263 HydrophobicContact CD2-CG 3.98Å; Y233-R263 HydrophobicContact CE2-CG 4.18Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; Y233-H287 PolarHBondContact O-CE1 3.23Å
234	P	95.3	Very high	97.5	Very high	18 Å²	18	32 Å²	32	12%	0.117	17%	0.166	C	C	.	.	S	Bend	cis	-75	-177.6	5.4	31.4	-36.9	0	0	0	113.7	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; F232-P234 WeakPolarHBondContact CD2-O 3.49Å; P234-E236 VanDerWaalsContact C-N 3.29Å; P234-E236 PolarHBondContact O-N 3.3Å; P234-H287 PolarHBondContact O-NE2 3.47Å; P234-H287 VanDerWaalsContact O-NE2 3.13Å; P234-E288 WeakPolarHBondContact CG-OE2 3.35Å
235	V	95.9	Very high	97.2	Very high	39 Å²	39	33.4 Å²	33.4	24%	0.236	19%	0.185	C	C	.	.	S	Bend	trans	-65.1	-29	-175.3	74.8	0	0	0	0	113.4	D54 I237 T257 F265	D54-V235 HydrophobicContact CB-CB 4.35Å; D54-V235 WeakPolarHBondContact OD1-CG1 3.45Å; D54-V235 WeakPolarHBondContact OD2-CB 3.38Å; D54-V235 VanDerWaalsContact OD2-CG1 3.31Å; D54-V235 WeakPolarHBondContact OD2-CG1 3.32Å; D54-V235 PolarHBondContact OD2-N 2.94Å; V235-I237 PolarHBondContact O-N 3.1Å; V235-T257 HydrophobicContact CG2-CG2 3.62Å; V235-F265 HydrophobicContact CB-CD1 4.15Å; V235-F265 HydrophobicContact CB-CD2 3.92Å; V235-F265 HydrophobicContact CB-CE1 3.97Å; V235-F265 HydrophobicContact CB-CE2 3.73Å; V235-F265 HydrophobicContact CB-CG 4.13Å; V235-F265 HydrophobicContact CB-CZ 3.77Å; V235-F265 HydrophobicContact CG2-CD1 3.55Å; V235-F265 HydrophobicContact CG2-CD2 4.2Å; V235-F265 HydrophobicContact CG2-CE1 3.56Å; V235-F265 HydrophobicContact CG2-CE2 4.22Å; V235-F265 HydrophobicContact CG2-CG 3.89Å; V235-F265 HydrophobicContact CG2-CZ 3.92Å
236	E	95.7	Very high	97.1	Very high	88 Å²	88	40.4 Å²	40.4	41%	0.411	22%	0.217	S	C	.	.			trans	-67.3	124.2	-178.3	-169.3	83.3	-172.6	0	0	110.2	W23 P234 H287	W23-E236 HydrophobicContact CE3-CB 3.88Å; W23-E236 HydrophobicContact CE3-CG 3.88Å; W23-E236 HydrophobicContact CH2-CB 3.81Å; W23-E236 HydrophobicContact CH2-CG 3.07Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.37Å; W23-E236 HydrophobicContact CZ2-CG 3.72Å; W23-E236 HydrophobicContact CZ3-CB 3.27Å; W23-E236 HydrophobicContact CZ3-CG 3.13Å; P234-E236 VanDerWaalsContact C-N 3.29Å; P234-E236 PolarHBondContact O-N 3.3Å; E236-H287 PolarHBondContact O-CD2 3.3Å
237	I	96.9	Very high	97	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.051	23%	0.232	C	C	.	.			trans	-149.4	144.1	170.7	-163.5	169.8	0	0	0	109.5	P209 A229 F232 V235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.94Å; P209-I237 HydrophobicContact CG-CD1 4Å; A229-I237 HydrophobicContact CB-CD1 3.56Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 4.07Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.31Å; F232-I237 HydrophobicContact CE2-CB 3.71Å; F232-I237 HydrophobicContact CE2-CD1 4.02Å; F232-I237 HydrophobicContact CE2-CG1 4.46Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.01Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.46Å; F232-I237 VanDerWaalsContact CZ-CG2 3.46Å; V235-I237 PolarHBondContact O-N 3.1Å; I237-L239 HydrophobicContact CB-CD1 4.36Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.57Å; I237-L239 HydrophobicContact CG2-CD1 3.98Å; I237-K267 HydrophobicContact CG2-CB 4.14Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; I237-V285 HydrophobicContact CD1-CG1 3.93Å; I237-V285 HydrophobicContact CG1-CG1 4.22Å; I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; I237-H287 HydrophobicContact CD1-CB 4.35Å; I237-H287 HydrophobicContact CG1-CB 4.1Å
238	T	97.7	Very high	96.9	Very high	55 Å²	55	43.7 Å²	43.7	34%	0.337	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.4	171.4	-62	0	0	0	0	109.9	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.08Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; T238-Q286 PolarHBondContact N-O 2.86Å; T238-Q286 PolarHBondContact O-N 2.81Å
239	L	97.9	Very high	96.5	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.5	172.9	-87.7	62.8	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.36Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.57Å; I237-L239 HydrophobicContact CG2-CD1 3.98Å; L239-L254 HydrophobicContact CB-CD1 4.15Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.22Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.8	Very high	96.1	Very high	39 Å²	39	55.8 Å²	55.8	24%	0.239	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.5	178.3	47.7	0	0	0	0	110.9	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.08Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.49Å; T240-H284 PolarHBondContact N-O 2.98Å; T240-H284 PolarHBondContact O-N 3.26Å; T240-H284 WeakPolarHBondContact OG1-CB 3.39Å
241	W	98.3	Very high	95.6	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.011	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.1	169.3	-82.7	107	0	0	0	109.7	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.24Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.85Å; W241-A269 PolarHBondContact NE1-O 3.39Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; W241-T282 WeakPolarHBondContact CA-O 3.05Å; W241-T282 VanDerWaalsContact CE3-C 3.4Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 3.94Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.94Å
242	Q	98.1	Very high	95.5	Very high	42 Å²	42	58.4 Å²	58.4	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.4	171.6	-69.6	-173.6	-7.6	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.44Å; Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.39Å; Q242-D247 PolarHBondContact NE2-OD1 2.75Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; Q242-T282 PolarHBondContact N-O 3.2Å; Q242-T282 PolarHBondContact O-N 3.46Å; Q242-H284 PolarHBondContact OE1-CE1 3.26Å; Q242-H284 PolarHBondContact OE1-NE2 2.91Å
243	R	97.6	Very high	95.5	Very high	71 Å²	71	63.9 Å²	63.9	27%	0.268	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.6	168.3	-176.4	-172.1	-176	178.6	-0.2	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.18Å; R243-E246 PolarHBondContact N-O 2.8Å; R243-E246 PolarHBondContact O-N 3.06Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; R243-E277 IonicContact CZ-OE2 3.51Å; R243-E277 IonicContact NE-OE2 3.71Å; R243-E277 IonicContact NH2-OE1 3.72Å; R243-E277 IonicContact NH2-OE2 2.67Å; R243-E277 PolarHBondContact NH2-OE2 2.96Å; R243-R280 WeakPolarHBondContact CA-O 3.28Å; R243-R280 HydrophobicContact CG-CB 4.39Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 WeakPolarHBondContact CD-OH 3.39Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244	D	95.9	Very high	95.5	Very high	100 Å²	100	67.9 Å²	67.9	54%	0.535	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	28.7	-175.3	-53.4	-51.6	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 3.34Å; D244-R280 IonicContact OD1-NE 3.39Å; D244-R280 PolarHBondContact OD1-NE 3.32Å; D244-R280 IonicContact OD2-CZ 3.09Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 2.91Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3Å
245	G	92.4	Very high	95.6	Very high	50 Å²	50	68.7 Å²	68.7	52%	0.515	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-0.9	-177.6	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.18Å
246	E	96.1	Very high	95.6	Very high	146 Å²	146	75.1 Å²	75.1	68%	0.682	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.6	176.1	-63.1	-173	169.3	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 3.44Å; R243-E246 PolarHBondContact N-O 2.8Å; R243-E246 PolarHBondContact O-N 3.06Å; E246-Q248 PolarHBondContact O-NE2 3.15Å
247	D	95.8	Very high	95.7	Very high	96 Å²	96	72.9 Å²	72.9	51%	0.513	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	133.9	-179.3	-68.9	-23.8	0	0	0	112.3	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.39Å; Q242-D247 PolarHBondContact NE2-OD1 2.75Å
248	Q	95.6	Very high	95.7	Very high	25 Å²	25	77 Å²	77	12%	0.117	40%	0.399	C	S	.	.			trans	-104.7	37.5	-177.4	-57.6	-61.3	-71.6	0	0	112.1	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.85Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 3.15Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.43Å; Q248-D251 PolarHBondContact O-N 2.7Å; Q248-T252 WeakPolarHBondContact O-CB 3.15Å; Q248-T252 PolarHBondContact O-N 2.82Å; Q248-T252 PolarHBondContact O-OG1 3.02Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å
249	T	90.2	Very high	95.6	Very high	108 Å²	108	78.9 Å²	78.9	66%	0.663	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.8	-169.2	-48.3	0	0	0	0	114
250	Q	90.4	Very high	95.6	Very high	194 Å²	194	81 Å²	81	91%	0.907	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-31.8	-178.5	-66.3	-174.6	2.8	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.43Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	88.4	Confident	95.3	Very high	109 Å²	109	82.8 Å²	82.8	58%	0.583	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	0.6	-178.2	-56.2	-52.9	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.7Å
252	T	95.3	Very high	95	Very high	23 Å²	23	87.7 Å²	87.7	14%	0.141	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.1	-179.9	-64	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.15Å; Q248-T252 PolarHBondContact O-N 2.82Å; Q248-T252 PolarHBondContact O-OG1 3.02Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 3.48Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å
253	E	97	Very high	94.6	Very high	114 Å²	114	88.7 Å²	88.7	53%	0.533	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	108.1	163.2	-173.5	-174	-171.9	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.2Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.03Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.36Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.44Å; E253-A270 PolarHBondContact O-N 2.86Å
254	L	97	Very high	94.6	Very high	89 Å²	89	86.1 Å²	86.1	47%	0.466	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.2	178.5	-173.7	68.7	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.15Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 3.48Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
255	V	96.6	Very high	94.7	Very high	34 Å²	34	82.4 Å²	82.4	21%	0.206	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-82	153.8	176.2	-65.4	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 WeakPolarHBondContact O-CE 3.31Å; V255-K267 PolarHBondContact O-NZ 3.16Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.27Å; V255-W268 PolarHBondContact N-O 3.12Å
256	E	96.6	Very high	95	Very high	175 Å²	175	82.2 Å²	82.2	82%	0.818	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-56.6	146.2	166.3	-68.1	-175.6	176.6	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 2.88Å
257	T	97.6	Very high	95.1	Very high	40 Å²	40	76.3 Å²	76.3	25%	0.245	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-69.3	130.5	175.1	-54.1	0	0	0	0	108.6	F232 V235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.8Å; V235-T257 HydrophobicContact CG2-CG2 3.62Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 4.08Å; T257-F265 HydrophobicContact CG2-CG 4.19Å; T257-K267 WeakPolarHBondContact OG1-CD 3.42Å; T257-K267 PolarHBondContact OG1-NZ 3.4Å; T257-K267 VanDerWaalsContact OG1-NZ 3.12Å
258	R	97.1	Very high	95.2	Very high	98 Å²	98	72.9 Å²	72.9	37%	0.37	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.8	-174.2	67.8	-169	-177.6	-165.3	1.4	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.88Å; R258-F265 WeakPolarHBondContact O-CA 3.44Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 3.08Å
259	P	97	Very high	95.4	Very high	93 Å²	93	71.7 Å²	71.7	60%	0.604	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	145.6	178.1	28.9	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.43Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	95.9	Very high	95.7	Very high	51 Å²	51	66.6 Å²	66.6	42%	0.421	36%	0.358	S	S	.	.			trans	-90.4	-15	173.1	0	0	0	0	0	113.1	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.44Å; A260-T264 WeakPolarHBondContact CB-O 3.4Å; A260-T264 WeakPolarHBondContact CB-OG1 3.4Å; A260-T264 PolarHBondContact N-O 2.85Å
261	G	92	Very high	96.1	Very high	77 Å²	77	57.5 Å²	57.5	79%	0.794	32%	0.315	S	S	*	.	S	Bend	trans	94.9	-4.4	179.6	0	0	0	0	0	114.7
262	D	92	Very high	96.5	Very high	107 Å²	107	55.9 Å²	55.9	57%	0.572	31%	0.309	S	S	*	.	S	Bend	trans	-117.3	31.7	-179.5	65.2	-6.2	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.44Å; D262-T264 PolarHBondContact O-N 3.4Å; D262-T264 WeakPolarHBondContact OD1-CB 3.44Å; D262-T264 PolarHBondContact OD1-N 3.11Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.95Å
263	R	91.2	Very high	96.6	Very high	63 Å²	63	54.8 Å²	54.8	24%	0.238	30%	0.302	C	S	.	.	S	Bend	trans	73.8	-19.1	-170	-176.3	-177.1	172.6	-135.5	-12.8	115.2	T55 T202 Y233	T55-R263 PolarHBondContact OG1-NE 2.8Å; T202-R263 VanDerWaalsContact CA-NH1 3.29Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 3.14Å; T202-R263 PolarHBondContact O-NH2 3.27Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.32Å; Y233-R263 HydrophobicContact CD2-CG 3.98Å; Y233-R263 HydrophobicContact CE2-CG 4.18Å
264	T	96.6	Very high	96.6	Very high	16 Å²	16	51.5 Å²	51.5	10%	0.098	29%	0.291	C	S	.	.			trans	-86.8	167.9	-178.8	75.7	0	0	0	0	112.9	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.3Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.39Å; A260-T264 WeakPolarHBondContact CB-O 3.4Å; A260-T264 WeakPolarHBondContact CB-OG1 3.4Å; A260-T264 PolarHBondContact N-O 2.85Å; D262-T264 PolarHBondContact O-N 3.4Å; D262-T264 WeakPolarHBondContact OD1-CB 3.44Å; D262-T264 PolarHBondContact OD1-N 3.11Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.95Å
265	F	98.1	Very high	96.4	Very high	23 Å²	23	49.9 Å²	49.9	10%	0.101	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	163.8	179.7	-63.6	-83.4	0	0	0	111.9	D54 G231 F232 Y233 V235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 2.86Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.34Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.31Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.63Å; F232-F265 PolarHBondContact N-O 3.06Å; F232-F265 PolarHBondContact O-N 3.35Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; V235-F265 HydrophobicContact CB-CD1 4.15Å; V235-F265 HydrophobicContact CB-CD2 3.92Å; V235-F265 HydrophobicContact CB-CE1 3.97Å; V235-F265 HydrophobicContact CB-CE2 3.73Å; V235-F265 HydrophobicContact CB-CG 4.13Å; V235-F265 HydrophobicContact CB-CZ 3.77Å; V235-F265 HydrophobicContact CG2-CD1 3.55Å; V235-F265 HydrophobicContact CG2-CD2 4.2Å; V235-F265 HydrophobicContact CG2-CE1 3.56Å; V235-F265 HydrophobicContact CG2-CE2 4.22Å; V235-F265 HydrophobicContact CG2-CG 3.89Å; V235-F265 HydrophobicContact CG2-CZ 3.92Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 4.08Å; T257-F265 HydrophobicContact CG2-CG 4.19Å; R258-F265 WeakPolarHBondContact O-CA 3.44Å; P259-F265 HydrophobicContact CB-CD1 4.43Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
266	Q	98.3	Very high	96.2	Very high	45 Å²	45	51.4 Å²	51.4	21%	0.21	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145	174.5	44.1	167.9	-22.2	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.32Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 3.08Å
267	K	98.6	Very high	96.1	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.096	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.5	177	-162.5	-176.2	-171.3	68.4	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.24Å; A229-K267 PolarHBondContact O-N 2.92Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.15Å; I237-K267 HydrophobicContact CG2-CB 4.14Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 WeakPolarHBondContact O-CE 3.31Å; V255-K267 PolarHBondContact O-NZ 3.16Å; T257-K267 WeakPolarHBondContact OG1-CD 3.42Å; T257-K267 PolarHBondContact OG1-NZ 3.4Å; T257-K267 VanDerWaalsContact OG1-NZ 3.12Å
268	W	98.4	Very high	96	Very high	24 Å²	24	44.7 Å²	44.7	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.8	168.9	58.8	-98.3	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.42Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å; E253-W268 HydrophobicContact CB-CZ3 4.2Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.03Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.36Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.27Å; V255-W268 PolarHBondContact N-O 3.12Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.4	Very high	95.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.3	173.5	0	0	0	0	0	108.3	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.47Å; C227-A269 PolarHBondContact N-O 3.3Å; C227-A269 PolarHBondContact O-N 3.09Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 PolarHBondContact NE1-O 3.39Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
270	A	98.1	Very high	95.9	Very high	2 Å²	2	45 Å²	45	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145	179.6	0	0	0	0	0	111.8	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.92Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.44Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.44Å; E253-A270 PolarHBondContact O-N 2.86Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	97.9	Very high	96	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.4	175.9	63.2	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.47Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 2.87Å; L225-V271 PolarHBondContact O-N 2.91Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å
272	V	97.6	Very high	96.3	Very high	74 Å²	74	39.7 Å²	39.7	45%	0.448	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.6	171.5	-178.4	0	0	0	0	108	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; A223-V272 WeakPolarHBondContact O-CA 3.49Å
273	V	96.8	Very high	96.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.5	-175.8	-52	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.18Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 2.87Å; A223-V273 WeakPolarHBondContact O-CG2 3.39Å; A223-V273 PolarHBondContact O-N 2.89Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å
274	P	96.6	Very high	97	Very high	45 Å²	45	33.3 Å²	33.3	29%	0.292	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	140.3	170.3	-20.2	32.3	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.5Å; H221-P274 WeakPolarHBondContact O-CA 3.25Å; P274-G276 PolarHBondContact O-N 3.31Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.26Å; P274-E277 PolarHBondContact O-N 2.83Å
275	S	93.1	Very high	97	Very high	55 Å²	55	32.5 Å²	32.5	39%	0.385	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	127.4	175.3	-64	0	0	0	0	110.9	D220 H221 E222 E277 E278	D220-S275 PolarHBondContact O-OG 2.85Å; H221-S275 PolarHBondContact O-N 3.41Å; H221-S275 PolarHBondContact O-OG 3.48Å; E222-S275 PolarHBondContact N-OG 2.84Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.19Å
276	G	91.8	Very high	97	Very high	65 Å²	65	35.5 Å²	35.5	67%	0.67	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	-6.4	-178.6	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.31Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.2Å; G276-E278 PolarHBondContact N-OE2 3.27Å
277	E	95.8	Very high	96.9	Very high	54 Å²	54	34.1 Å²	34.1	25%	0.252	19%	0.187	S	C	.	.			trans	-99.2	3.4	175.9	-65.6	-159	-152.7	0	0	113.6	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.51Å; R243-E277 IonicContact NE-OE2 3.71Å; R243-E277 IonicContact NH2-OE1 3.72Å; R243-E277 IonicContact NH2-OE2 2.67Å; R243-E277 PolarHBondContact NH2-OE2 2.96Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.26Å; P274-E277 PolarHBondContact O-N 2.83Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 2.66Å; E277-R280 WeakPolarHBondContact O-CB 3.5Å; E277-R280 PolarHBondContact O-N 3.26Å; E277-R280 IonicContact OE1-NH1 3.8Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.79Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 3.4Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.25Å
278	E	95.3	Very high	96.7	Very high	20 Å²	20	37 Å²	37	9%	0.093	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57	-33	-170.7	-57.1	80.4	-176.6	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.74Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.19Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.2Å; G276-E278 PolarHBondContact N-OE2 3.27Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.45Å; E278-Y281 PolarHBondContact O-N 2.84Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.9Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.81Å
279	Q	95.4	Very high	96.5	Very high	93 Å²	93	36.9 Å²	36.9	44%	0.435	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-72.5	-16.4	-178.9	-63	-56.7	-46	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 2.66Å; Q279-R297 PolarHBondContact O-NE 2.83Å; Q279-W298 PolarHBondContact NE2-O 2.64Å
280	R	97.1	Very high	96.4	Very high	105 Å²	105	38.1 Å²	38.1	40%	0.396	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-75.6	-17.3	172.8	-63.2	174.3	68.2	177.9	5.7	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.28Å; R243-R280 HydrophobicContact CG-CB 4.39Å; D244-R280 PolarHBondContact N-O 3.34Å; D244-R280 IonicContact OD1-NE 3.39Å; D244-R280 PolarHBondContact OD1-NE 3.32Å; D244-R280 IonicContact OD2-CZ 3.09Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 2.91Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3Å; E277-R280 WeakPolarHBondContact O-CB 3.5Å; E277-R280 PolarHBondContact O-N 3.26Å; E277-R280 IonicContact OE1-NH1 3.8Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.79Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 3.4Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.45Å
281	Y	97.8	Very high	96.2	Very high	6 Å²	6	44.4 Å²	44.4	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.5	-177.7	-69	-100.2	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 WeakPolarHBondContact CD-OH 3.39Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.25Å; E278-Y281 PolarHBondContact O-N 2.84Å
282	T	98.1	Very high	96	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.3	176	48	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.05Å; W241-T282 VanDerWaalsContact CE3-C 3.4Å; Q242-T282 PolarHBondContact N-O 3.2Å; Q242-T282 PolarHBondContact O-N 3.46Å; T282-H284 PolarHBondContact O-CD2 3.28Å; T282-H284 PolarHBondContact OG1-NE2 3.03Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; T282-R297 HydrophobicContact CG2-CG 3.64Å
283	C	98.3	Very high	95.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.7	170	174.9	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.38Å; C227-C283 WeakPolarHBondContact SG-CB 3.48Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.23Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.49Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 3.94Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.94Å; C283-T295 CarbonylContact O-C 3.48Å; C283-T295 WeakPolarHBondContact O-CA 3.48Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 3Å; C283-L296 PolarHBondContact O-N 3.17Å
284	H	98.1	Very high	96	Very high	35 Å²	35	54 Å²	54	16%	0.162	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.7	177.4	-64.7	-111.7	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.22Å; T240-H284 PolarHBondContact N-O 2.98Å; T240-H284 PolarHBondContact O-N 3.26Å; T240-H284 WeakPolarHBondContact OG1-CB 3.39Å; Q242-H284 PolarHBondContact OE1-CE1 3.26Å; Q242-H284 PolarHBondContact OE1-NE2 2.91Å; T282-H284 PolarHBondContact O-CD2 3.28Å; T282-H284 PolarHBondContact OG1-NE2 3.03Å; H284-L294 WeakPolarHBondContact CA-O 3.34Å; H284-T295 PolarHBondContact ND1-OG1 3.11Å
285	V	98.3	Very high	96	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.4	-177.8	-174.8	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 4Å; I237-V285 HydrophobicContact CD1-CG1 3.93Å; I237-V285 HydrophobicContact CG1-CG1 4.22Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; V285-P293 WeakPolarHBondContact O-CA 3.39Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 3.3Å; V285-L294 PolarHBondContact O-N 3.16Å; V285-L296 HydrophobicContact CG2-CD1 3.72Å
286	Q	97.9	Very high	96.2	Very high	86 Å²	86	54.7 Å²	54.7	40%	0.402	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.4	173.8	-52.8	-179.6	13.3	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; T238-Q286 PolarHBondContact N-O 2.86Å; T238-Q286 PolarHBondContact O-N 2.81Å; Q286-P293 HydrophobicContact CG-CB 4.12Å; Q286-P293 HydrophobicContact CG-CG 4.19Å
287	H	96.3	Very high	96.5	Very high	16 Å²	16	58.5 Å²	58.5	7%	0.074	29%	0.293	C	S	.	.			trans	-157.4	145.9	-178	-174.5	-96.5	0	0	0	108.8	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.43Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 4.06Å; F232-H287 AromaticContact CD2-CD2 3.77Å; F232-H287 AromaticContact CD2-NE2 3.64Å; Y233-H287 PolarHBondContact O-CE1 3.23Å; P234-H287 PolarHBondContact O-NE2 3.47Å; P234-H287 VanDerWaalsContact O-NE2 3.13Å; E236-H287 PolarHBondContact O-CD2 3.3Å; I237-H287 HydrophobicContact CD1-CB 4.35Å; I237-H287 HydrophobicContact CG1-CB 4.1Å; H287-G289 PolarHBondContact ND1-N 3.17Å; H287-G289 PolarHBondContact O-N 3.12Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.13Å; H287-L290 WeakPolarHBondContact O-CB 3.22Å; H287-L290 PolarHBondContact O-N 3.35Å
288	E	93.4	Very high	96.5	Very high	83 Å²	83	58.2 Å²	58.2	39%	0.388	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-35	-179.2	-173.8	-172.9	167.5	0	0	113	A206 P234 L290	A206-E288 HydrophobicContact CB-CG 4.37Å; P234-E288 WeakPolarHBondContact CG-OE2 3.35Å; E288-L290 PolarHBondContact O-N 2.82Å
289	G	93.9	Very high	96.2	Very high	20 Å²	20	65.2 Å²	65.2	21%	0.206	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.5	178.3	0	0	0	0	0	114	H287	H287-G289 PolarHBondContact ND1-N 3.17Å; H287-G289 PolarHBondContact O-N 3.12Å
290	L	95.8	Very high	95.5	Very high	26 Å²	26	64.8 Å²	64.8	14%	0.136	33%	0.327	C	S	.	.			trans	-94.5	126.6	178.9	-65.9	171	0	0	0	110.8	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.44Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.13Å; H287-L290 WeakPolarHBondContact O-CB 3.22Å; H287-L290 PolarHBondContact O-N 3.35Å; E288-L290 PolarHBondContact O-N 2.82Å; L290-K292 WeakPolarHBondContact CB-O 3.29Å; L290-K292 PolarHBondContact O-N 3.08Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.95Å
291	P	94	Very high	94	Very high	134 Å²	134	64.7 Å²	64.7	87%	0.87	34%	0.343	S	S	*	.	S	Bend	trans	-66.7	-21.3	177	28.1	-35.4	0	0	0	112.7
292	K	94.4	Very high	91.6	Very high	153 Å²	153	69.7 Å²	69.7	67%	0.665	38%	0.379	S	S	*	.	S	Bend	trans	-151.2	150.6	172.3	61.6	-178.3	-179.3	178.6	0	109.2	L290	L290-K292 WeakPolarHBondContact CB-O 3.29Å; L290-K292 PolarHBondContact O-N 3.08Å
293	P	96.4	Very high	89.1	Confident	74 Å²	74	77.2 Å²	77.2	48%	0.481	41%	0.413	S	S	.	.			trans	-51.7	142.5	172.5	-27.8	36.1	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.39Å; Q286-P293 HydrophobicContact CG-CB 4.12Å; Q286-P293 HydrophobicContact CG-CG 4.19Å
294	L	97.4	Very high	86.4	Confident	53 Å²	53	81.5 Å²	81.5	28%	0.277	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	143	174.3	-62.7	178.1	0	0	0	110	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.28Å; H284-L294 WeakPolarHBondContact CA-O 3.34Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 3.3Å; V285-L294 PolarHBondContact O-N 3.16Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.95Å; L294-L296 HydrophobicContact CB-CD1 4.16Å
295	T	98	Very high	84	Confident	85 Å²	85	86 Å²	86	52%	0.521	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.7	170.5	-58.2	0	0	0	0	107.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.48Å; C283-T295 WeakPolarHBondContact O-CA 3.48Å; H284-T295 PolarHBondContact ND1-OG1 3.11Å
296	L	97.4	Very high	81.7	Confident	30 Å²	30	90.8 Å²	90.8	16%	0.157	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.2	-178.3	-60.4	105.8	0	0	0	110.6	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.38Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.43Å; V213-L296 HydrophobicContact CG2-CB 3.82Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 3Å; C283-L296 PolarHBondContact O-N 3.17Å; V285-L296 HydrophobicContact CG2-CD1 3.72Å; L294-L296 HydrophobicContact CB-CD1 4.16Å
297	R	96.4	Very high	79.6	Confident	145 Å²	145	90.9 Å²	90.9	55%	0.547	51%	0.506	S	S	.	.			trans	-114.9	162.9	163.9	-71.8	-173.2	175.4	124.5	3.2	109.1	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 2.83Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; R297-E299 PolarHBondContact O-N 2.87Å
298	W	96	Very high	77.8	Confident	48 Å²	48	96 Å²	96	18%	0.182	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-68.7	122.2	166	170.9	57.4	0	0	0	109.8	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.5Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 4Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.44Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.9Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.81Å; Q279-W298 PolarHBondContact NE2-O 2.64Å; W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.19Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 4.05Å; W298-P300 HydrophobicContact CZ3-CG 4.08Å
299	E	89.8	Confident	76.2	Confident	167 Å²	167	97.9 Å²	97.9	78%	0.78	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-99.3	119.5	168.6	-70.8	-178.8	175.7	0	0	108.4	R297 S301	R297-E299 PolarHBondContact O-N 2.87Å; E299-S301 PolarHBondContact O-N 3.35Å; E299-S301 VanDerWaalsContact O-N 3.14Å
300	P	81.6	Confident	74.9	Confident	83 Å²	83	99 Å²	99	54%	0.539	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-56.8	122.8	171.1	-18.7	29.3	0	0	0	107.9	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.19Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 4.05Å; W298-P300 HydrophobicContact CZ3-CG 4.08Å; P300-S302 PolarHBondContact O-N 3.24Å
301	S	64	Low	73.8	Confident	104 Å²	104	102.4 Å²	102.4	73%	0.727	58%	0.578	S	S	*	*			trans	-53.1	114.5	178.6	49.4	0	0	0	0	108.8	E299 Q303	E299-S301 PolarHBondContact O-N 3.35Å; E299-S301 VanDerWaalsContact O-N 3.14Å; S301-Q303 PolarHBondContact O-N 2.89Å
302	S	48.3	Very low	72.9	Confident	111 Å²	111	100.4 Å²	100.4	78%	0.776	56%	0.563	S	S	*	*			trans	-68.8	77.7	161.8	62.6	0	0	0	0	106.4	P300 S304	P300-S302 PolarHBondContact O-N 3.24Å; S302-S304 PolarHBondContact O-N 2.98Å
303	Q	45.6	Very low	72.1	Confident	169 Å²	169	95.6 Å²	95.6	79%	0.79	55%	0.553	S	S	*	*			trans	-59.8	89.5	149.4	-88.2	-173.4	-12.2	0	0	104.1	S301 T305	S301-Q303 PolarHBondContact O-N 2.89Å; Q303-T305 PolarHBondContact O-N 2.7Å; Q303-T305 PolarHBondContact O-OG1 3.4Å
304	S	41.1	Very low	71.4	Confident	90 Å²	90	93.8 Å²	93.8	63%	0.629	55%	0.547	S	S	*	.			trans	-50.7	99.9	165	168.7	0	0	0	0	104.2	S302 I306	S302-S304 PolarHBondContact O-N 2.98Å; S304-I306 PolarHBondContact O-N 3.01Å
305	T	48.3	Very low	70.8	Confident	130 Å²	130	96.7 Å²	96.7	80%	0.798	56%	0.562	S	S	*	*			trans	-66.4	78	160.9	-24	0	0	0	0	103.2	Q303 P307	Q303-T305 PolarHBondContact O-N 2.7Å; Q303-T305 PolarHBondContact O-OG1 3.4Å; T305-P307 WeakPolarHBondContact O-CD 3.49Å
306	I	49.6	Very low	70.1	Confident	100 Å²	100	95.3 Å²	95.3	51%	0.513	56%	0.56	S	S	.	*			trans	-46.3	122	156.9	-61.5	177.2	0	0	0	102.3	S304 I308 I311	S304-I306 PolarHBondContact O-N 3.01Å; I306-I308 WeakPolarHBondContact O-CG1 3.12Å; I306-I308 PolarHBondContact O-N 2.71Å; I306-I311 HydrophobicContact CG2-CD1 4.13Å
307	P	53.9	Low	69.5	Low	87 Å²	87	98.4 Å²	98.4	57%	0.565	58%	0.58	S	S	*	*			trans	-71.9	81.9	-172.6	28.9	-32.7	0	0	0	106.5	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.49Å; P307-V309 PolarHBondContact O-N 2.97Å; P307-V309 VanDerWaalsContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.15Å; P307-G310 PolarHBondContact O-N 3.28Å; P307-I311 PolarHBondContact O-N 3.4Å; P307-I311 VanDerWaalsContact O-N 3.17Å
308	I	58.9	Low	69	Low	123 Å²	123	96.8 Å²	96.8	63%	0.631	58%	0.581	S	S	*	*	H	α-helix	trans	-54.7	-34.1	174.8	-67	168.5	0	0	0	107.7	I306 G310 I311 V312	I306-I308 WeakPolarHBondContact O-CG1 3.12Å; I306-I308 PolarHBondContact O-N 2.71Å; I308-G310 PolarHBondContact O-N 2.9Å; I308-I311 PolarHBondContact O-N 3.2Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.32Å; I308-V312 PolarHBondContact O-N 2.75Å
309	V	59.5	Low	68.5	Low	123 Å²	123	96.8 Å²	96.8	75%	0.745	59%	0.592	S	S	*	*	H	α-helix	trans	-58.8	-41.3	171.4	-176.7	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 2.97Å; P307-V309 VanDerWaalsContact O-N 3.16Å; V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.33Å; V309-A313 PolarHBondContact O-N 2.91Å
310	G	65.9	Low	68.3	Low	44 Å²	44	93.9 Å²	93.9	45%	0.454	59%	0.585	S	S	.	*	H	α-helix	trans	-69.5	-38.3	179	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.15Å; P307-G310 PolarHBondContact O-N 3.28Å; I308-G310 PolarHBondContact O-N 2.9Å; G310-G314 PolarHBondContact O-N 3.33Å
311	I	72.9	Confident	68.5	Low	97 Å²	97	94.4 Å²	94.4	50%	0.497	59%	0.586	S	S	.	*	H	α-helix	trans	-69.6	-43.6	176.2	-62.5	172.9	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.13Å; P307-I311 PolarHBondContact O-N 3.4Å; P307-I311 VanDerWaalsContact O-N 3.17Å; I308-I311 PolarHBondContact O-N 3.2Å; I311-G314 PolarHBondContact O-N 3.03Å; I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 3.3Å
312	V	75.9	Confident	69.5	Low	92 Å²	92	93.3 Å²	93.3	56%	0.558	58%	0.575	S	S	*	*	H	α-helix	trans	-65.3	-43.6	178	172.5	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.32Å; I308-V312 PolarHBondContact O-N 2.75Å; V312-L315 PolarHBondContact O-N 2.97Å; V312-A316 WeakPolarHBondContact O-CB 3.39Å; V312-A316 PolarHBondContact O-N 2.76Å
313	A	76.8	Confident	71.2	Confident	53 Å²	53	93.2 Å²	93.2	44%	0.438	57%	0.565	S	S	.	*	H	α-helix	trans	-62.9	-43.1	175.2	0	0	0	0	0	111.7	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.33Å; V309-A313 PolarHBondContact O-N 2.91Å; A313-A316 PolarHBondContact O-N 2.85Å; A313-V317 WeakPolarHBondContact O-CG2 3.5Å; A313-V317 PolarHBondContact O-N 2.82Å
314	G	81.7	Confident	73	Confident	36 Å²	36	87.1 Å²	87.1	37%	0.371	55%	0.548	S	S	.	.	H	α-helix	trans	-61.2	-44.3	176.8	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.33Å; I311-G314 PolarHBondContact O-N 3.03Å; G314-V317 PolarHBondContact O-N 3.15Å; G314-L318 PolarHBondContact O-N 2.89Å
315	L	85.3	Confident	74.9	Confident	113 Å²	113	85.5 Å²	85.5	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-66.4	-38.5	176.9	-73.2	171.5	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 3.3Å; V312-L315 PolarHBondContact O-N 2.97Å; L315-L318 PolarHBondContact O-N 3.22Å; L315-A319 WeakPolarHBondContact O-CB 3.43Å; L315-A319 PolarHBondContact O-N 3.21Å
316	A	83.3	Confident	76.4	Confident	56 Å²	56	83.1 Å²	83.1	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-63.8	-43.5	176.5	0	0	0	0	0	111.8	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.39Å; V312-A316 PolarHBondContact O-N 2.76Å; A313-A316 PolarHBondContact O-N 2.85Å; A316-A319 PolarHBondContact O-N 3.26Å; A316-V320 WeakPolarHBondContact O-CG2 3.33Å; A316-V320 PolarHBondContact O-N 3.5Å; A316-V320 VanDerWaalsContact O-N 3.1Å
317	V	85.1	Confident	77.9	Confident	96 Å²	96	82 Å²	82	58%	0.582	52%	0.522	S	S	*	.	H	α-helix	trans	-63.2	-44.4	176.2	173.6	0	0	0	0	110.9	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.5Å; A313-V317 PolarHBondContact O-N 2.82Å; G314-V317 PolarHBondContact O-N 3.15Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3Å; V317-V320 PolarHBondContact O-N 3.12Å; V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.44Å; V317-V321 PolarHBondContact O-N 3.44Å
318	L	86	Confident	78.9	Confident	110 Å²	110	80.3 Å²	80.3	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-59.1	-43.7	176.3	-107.6	154	0	0	0	112.2	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 2.89Å; L315-L318 PolarHBondContact O-N 3.22Å; L318-V320 PolarHBondContact O-N 3.33Å; L318-V321 PolarHBondContact O-N 2.9Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.47Å; L318-V322 PolarHBondContact O-N 3Å
319	A	84.9	Confident	79.6	Confident	49 Å²	49	78.5 Å²	78.5	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-61.6	-43.2	177.4	0	0	0	0	0	112.1	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.43Å; L315-A319 PolarHBondContact O-N 3.21Å; A316-A319 PolarHBondContact O-N 3.26Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3Å; A319-V322 PolarHBondContact O-N 3.3Å; A319-I323 WeakPolarHBondContact O-CD1 3.41Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.34Å; A319-I323 PolarHBondContact O-N 3.03Å
320	V	85.8	Confident	80.2	Confident	106 Å²	106	76.5 Å²	76.5	64%	0.642	50%	0.498	S	S	*	.	H	α-helix	trans	-63.2	-42.6	177.2	173.5	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.33Å; A316-V320 PolarHBondContact O-N 3.5Å; A316-V320 VanDerWaalsContact O-N 3.1Å; V317-V320 PolarHBondContact O-N 3.12Å; L318-V320 PolarHBondContact O-N 3.33Å; V320-I323 PolarHBondContact O-N 2.97Å; V320-G324 PolarHBondContact O-N 2.92Å
321	V	86.6	Confident	80.5	Confident	93 Å²	93	80.4 Å²	80.4	56%	0.564	51%	0.506	S	S	*	.	H	α-helix	trans	-63.3	-44.3	177.8	172.6	0	0	0	0	111.3	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.44Å; V317-V321 PolarHBondContact O-N 3.44Å; L318-V321 PolarHBondContact O-N 2.9Å; V321-G324 PolarHBondContact O-N 3.1Å; V321-A325 WeakPolarHBondContact O-CB 3.2Å; V321-A325 PolarHBondContact O-N 2.95Å
322	V	85	Confident	80.3	Confident	82 Å²	82	80.1 Å²	80.1	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-45.6	178.6	172.5	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.47Å; L318-V322 PolarHBondContact O-N 3Å; A319-V322 PolarHBondContact O-N 3.3Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.4Å; V322-A325 PolarHBondContact O-N 2.83Å; V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.48Å; V322-V326 PolarHBondContact O-N 3.32Å
323	I	83.7	Confident	79.7	Confident	109 Å²	109	85.3 Å²	85.3	56%	0.559	52%	0.521	S	S	*	.	H	α-helix	trans	-61.1	-44.9	176.7	-67.3	165.9	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CD1 3.41Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.34Å; A319-I323 PolarHBondContact O-N 3.03Å; V320-I323 PolarHBondContact O-N 2.97Å; I323-A325 PolarHBondContact O-N 3.44Å; I323-V326 PolarHBondContact O-N 3.48Å; I323-V327 HydrophobicContact CG2-CG2 4.38Å; I323-V327 VanDerWaalsContact O-CG2 3.32Å; I323-V327 WeakPolarHBondContact O-CG2 3.34Å; I323-V327 PolarHBondContact O-N 3.41Å
324	G	82	Confident	78.9	Confident	41 Å²	41	93 Å²	93	42%	0.423	54%	0.539	S	S	.	.	H	α-helix	trans	-59.2	-44.1	176.7	0	0	0	0	0	113	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 2.92Å; V321-G324 PolarHBondContact O-N 3.1Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.4Å; G324-V327 PolarHBondContact O-N 3.26Å; G324-A328 WeakPolarHBondContact O-CB 3.38Å; G324-A328 PolarHBondContact O-N 2.82Å
325	A	80.9	Confident	77.6	Confident	55 Å²	55	100.4 Å²	100.4	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-65.8	-39.9	177.5	0	0	0	0	0	112.8	V321 V322 I323 A328 T329	V321-A325 WeakPolarHBondContact O-CB 3.2Å; V321-A325 PolarHBondContact O-N 2.95Å; V322-A325 PolarHBondContact O-N 2.83Å; I323-A325 PolarHBondContact O-N 3.44Å; A325-A328 PolarHBondContact O-N 3.41Å; A325-T329 WeakPolarHBondContact O-CB 3.45Å; A325-T329 WeakPolarHBondContact O-CG2 3.5Å; A325-T329 PolarHBondContact O-N 3.25Å; A325-T329 PolarHBondContact O-OG1 2.72Å
326	V	81.4	Confident	76.1	Confident	81 Å²	81	99.8 Å²	99.8	49%	0.491	57%	0.566	S	S	.	*	H	α-helix	trans	-65.6	-44	175.6	173.3	0	0	0	0	110.9	V322 I323 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.48Å; V322-V326 PolarHBondContact O-N 3.32Å; I323-V326 PolarHBondContact O-N 3.48Å; V326-T329 WeakPolarHBondContact CA-OG1 3.46Å; V326-T329 PolarHBondContact O-N 2.97Å; V326-T329 PolarHBondContact O-OG1 3Å; V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.25Å; V326-V330 VanDerWaalsContact O-CG2 3.25Å; V326-V330 WeakPolarHBondContact O-CG2 3.36Å; V326-V330 PolarHBondContact O-N 3.32Å
327	V	79.6	Confident	74.5	Confident	76 Å²	76	104.8 Å²	104.8	46%	0.461	60%	0.597	S	S	.	*	H	α-helix	trans	-63.5	-44.7	177.2	172.6	0	0	0	0	110.8	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.38Å; I323-V327 VanDerWaalsContact O-CG2 3.32Å; I323-V327 WeakPolarHBondContact O-CG2 3.34Å; I323-V327 PolarHBondContact O-N 3.41Å; G324-V327 PolarHBondContact O-N 3.26Å; V327-T329 PolarHBondContact O-N 2.76Å; V327-V330 PolarHBondContact O-N 3.04Å; V327-M331 HydrophobicContact CG1-CG 4.35Å; V327-M331 HydrophobicContact CG1-SD 4.05Å; V327-M331 WeakPolarHBondContact O-CB 3.15Å; V327-M331 WeakPolarHBondContact O-CG 3.21Å; V327-M331 PolarHBondContact O-N 2.88Å
328	A	75.1	Confident	73.9	Confident	52 Å²	52	105.2 Å²	105.2	43%	0.43	60%	0.598	S	S	.	*	H	α-helix	trans	-61.1	-44.8	177.6	0	0	0	0	0	112.1	G324 A325 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.38Å; G324-A328 PolarHBondContact O-N 2.82Å; A325-A328 PolarHBondContact O-N 3.41Å; A328-M331 PolarHBondContact O-N 2.81Å; A328-C332 WeakPolarHBondContact O-CB 3.26Å; A328-C332 PolarHBondContact O-N 3.19Å; A328-C332 PolarHBondContact O-SG 2.88Å
329	T	73.7	Confident	73.3	Confident	84 Å²	84	104.9 Å²	104.9	52%	0.515	60%	0.599	S	S	.	*	H	α-helix	trans	-66.1	-39.6	177.7	45.2	0	0	0	0	112.6	A325 V326 V327 C332 R333	A325-T329 WeakPolarHBondContact O-CB 3.45Å; A325-T329 WeakPolarHBondContact O-CG2 3.5Å; A325-T329 PolarHBondContact O-N 3.25Å; A325-T329 PolarHBondContact O-OG1 2.72Å; V326-T329 WeakPolarHBondContact CA-OG1 3.46Å; V326-T329 PolarHBondContact O-N 2.97Å; V326-T329 PolarHBondContact O-OG1 3Å; V327-T329 PolarHBondContact O-N 2.76Å; T329-C332 PolarHBondContact O-N 3.16Å; T329-R333 WeakPolarHBondContact O-CB 3.36Å; T329-R333 WeakPolarHBondContact O-CG 3.12Å; T329-R333 PolarHBondContact O-N 3.5Å
330	V	73.4	Confident	72.6	Confident	81 Å²	81	108.1 Å²	108.1	49%	0.491	61%	0.61	S	S	.	*	H	α-helix	trans	-65	-42.4	174.5	170.6	0	0	0	0	111.2	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.25Å; V326-V330 VanDerWaalsContact O-CG2 3.25Å; V326-V330 WeakPolarHBondContact O-CG2 3.36Å; V326-V330 PolarHBondContact O-N 3.32Å; V327-V330 PolarHBondContact O-N 3.04Å; V330-R333 PolarHBondContact O-N 2.71Å; V330-R334 WeakPolarHBondContact O-CB 3.17Å; V330-R334 PolarHBondContact O-N 3.3Å
331	M	71.7	Confident	71.9	Confident	127 Å²	127	108.2 Å²	108.2	63%	0.626	61%	0.608	S	S	*	*	H	α-helix	trans	-65.7	-41.1	176.6	-74.6	-173.9	69.3	0	0	112.4	V327 A328 R333 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.35Å; V327-M331 HydrophobicContact CG1-SD 4.05Å; V327-M331 WeakPolarHBondContact O-CB 3.15Å; V327-M331 WeakPolarHBondContact O-CG 3.21Å; V327-M331 PolarHBondContact O-N 2.88Å; A328-M331 PolarHBondContact O-N 2.81Å; M331-R333 VanDerWaalsContact C-N 3.35Å; M331-R334 PolarHBondContact O-N 2.92Å; M331-K335 PolarHBondContact O-N 3.15Å; M331-K335 VanDerWaalsContact O-N 3.13Å
332	C	68.4	Low	71	Confident	90 Å²	90	109.1 Å²	109.1	61%	0.608	61%	0.611	S	S	*	*	H	α-helix	trans	-60.8	-43.6	173.1	-77.6	0	0	0	0	111.4	A328 T329 R334 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.26Å; A328-C332 PolarHBondContact O-N 3.19Å; A328-C332 PolarHBondContact O-SG 2.88Å; T329-C332 PolarHBondContact O-N 3.16Å; C332-R334 PolarHBondContact O-N 2.91Å; C332-K335 PolarHBondContact O-N 3.38Å; C332-S336 PolarHBondContact O-N 2.94Å; C332-S336 PolarHBondContact O-OG 3.02Å; C332-S336 VanDerWaalsContact O-OG 3.09Å
333	R	63.7	Low	70	Confident	202 Å²	202	110.9 Å²	110.9	76%	0.762	62%	0.619	S	S	*	*	H	α-helix	trans	-66.1	-34.2	176.7	-78.8	-174.5	167	-178.6	-2.4	113.6	T329 V330 M331 K335 S336	T329-R333 WeakPolarHBondContact O-CB 3.36Å; T329-R333 WeakPolarHBondContact O-CG 3.12Å; T329-R333 PolarHBondContact O-N 3.5Å; V330-R333 PolarHBondContact O-N 2.71Å; M331-R333 VanDerWaalsContact C-N 3.35Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-OG 3.17Å; R333-S336 VanDerWaalsContact O-OG 3.12Å
334	R	59	Low	69	Low	214 Å²	214	111.1 Å²	111.1	81%	0.808	62%	0.623	S	S	*	*	H	α-helix	trans	-71.9	-23	176	-115	-178.1	171.3	179.8	-2.4	113.7	V330 M331 C332	V330-R334 WeakPolarHBondContact O-CB 3.17Å; V330-R334 PolarHBondContact O-N 3.3Å; M331-R334 PolarHBondContact O-N 2.92Å; C332-R334 PolarHBondContact O-N 2.91Å
335	K	54.6	Low	68	Low	192 Å²	192	116.5 Å²	116.5	84%	0.835	64%	0.638	S	S	*	*	H	α-helix	trans	-90.1	-10.5	179.8	-142.3	175.3	-174.7	-178.4	0	113	M331 C332 R333	M331-K335 PolarHBondContact O-N 3.15Å; M331-K335 VanDerWaalsContact O-N 3.13Å; C332-K335 PolarHBondContact O-N 3.38Å; R333-K335 VanDerWaalsContact C-N 3.31Å
336	S	53.5	Low	67	Low	99 Å²	99	121.6 Å²	121.6	69%	0.692	65%	0.654	S	S	*	*			trans	-108.2	13.4	179.2	56.5	0	0	0	0	113.8	C332 R333	C332-S336 PolarHBondContact O-N 2.94Å; C332-S336 PolarHBondContact O-OG 3.02Å; C332-S336 VanDerWaalsContact O-OG 3.09Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-OG 3.17Å; R333-S336 VanDerWaalsContact O-OG 3.12Å
337	S	49.5	Very low	65.6	Low	161 Å²	161	125.3 Å²	125.3	100%	1.126	67%	0.668	S	S	*	*			trans	-120.2	0	170	-176	0	0	0	0	109.8

Retrieved 337 of 337 residues in 1561.4 ms (Link to these results)

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