A0A078MYS4_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A078MYS4, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	40.5	Very low	242 Å²	242	153.7 Å²	153.7	100%	1.192	78%	0.78	S	S	*	*				0	133.8	0	-69.1	154.2	170.7	0	0	108.1
2	R	33.2	Very low	40.6	Very low	252 Å²	252	152.4 Å²	152.4	95%	0.951	78%	0.775	S	S	*	*			trans	-91.9	115.9	168.1	-88	-178	169.8	163.4	-3.4	107.9	M4	R2-M4 PolarHBondContact O-N 3.28Å
3	V	34.4	Very low	40.4	Very low	143 Å²	143	149.5 Å²	149.5	87%	0.867	76%	0.762	S	S	*	*			trans	-74.9	114.9	171	178.9	0	0	0	0	107.5	A5	V3-A5 PolarHBondContact O-N 3.33Å
4	M	37.1	Very low	40.5	Very low	179 Å²	179	143.1 Å²	143.1	88%	0.882	74%	0.737	S	S	*	*			trans	-88.8	101.6	179.2	-173.5	167.1	66.7	0	0	108.8	R2	R2-M4 PolarHBondContact O-N 3.28Å
5	A	40.6	Very low	40.4	Very low	77 Å²	77	136.3 Å²	136.3	64%	0.636	72%	0.717	S	S	*	*			trans	-62	142.8	177	0	0	0	0	0	111.1	V3 R7	V3-A5 PolarHBondContact O-N 3.33Å; A5-R7 PolarHBondContact O-N 3.31Å; A5-R7 VanDerWaalsContact O-N 3.15Å
6	P	40.8	Very low	40.2	Very low	95 Å²	95	131.4 Å²	131.4	62%	0.617	70%	0.702	S	S	*	*			trans	-70.5	111.2	-175.1	27.4	-33.9	0	0	0	111.4	T8	P6-T8 PolarHBondContact O-N 3.3Å; P6-T8 VanDerWaalsContact O-N 3.1Å
7	R	48.4	Very low	40	Very low	224 Å²	224	130.5 Å²	130.5	85%	0.845	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-12.5	177.1	-85	179	160.9	156.9	-7.5	114.5	A5 L9	A5-R7 PolarHBondContact O-N 3.31Å; A5-R7 VanDerWaalsContact O-N 3.15Å; R7-L9 VanDerWaalsContact C-N 3.35Å; R7-L9 PolarHBondContact O-N 3.49Å
8	T	47.3	Very low	39.8	Very low	107 Å²	107	126.9 Å²	126.9	66%	0.656	69%	0.688	S	S	*	*	H	α-helix	trans	-70.9	-20.8	-177.9	37.2	0	0	0	0	114.8	P6	P6-T8 PolarHBondContact O-N 3.3Å; P6-T8 VanDerWaalsContact O-N 3.1Å
9	L	41.3	Very low	39.7	Very low	124 Å²	124	127.3 Å²	127.3	65%	0.649	69%	0.689	S	S	*	*	H	α-helix	trans	-79.4	-21.3	-177.5	-138.8	81.6	0	0	0	114.2	R7	R7-L9 VanDerWaalsContact C-N 3.35Å; R7-L9 PolarHBondContact O-N 3.49Å
10	I	43	Very low	39.6	Very low	118 Å²	118	125.9 Å²	125.9	61%	0.605	68%	0.684	S	S	*	*	H	α-helix	trans	-77.7	-35.2	-172.9	-64.9	174	0	0	0	111.6	L12 L13 S14	I10-L12 PolarHBondContact O-N 2.89Å; I10-L13 PolarHBondContact O-N 3.48Å; I10-S14 PolarHBondContact O-N 2.89Å; I10-S14 PolarHBondContact O-OG 3.45Å; I10-S14 VanDerWaalsContact O-OG 3.09Å
11	L	44.5	Very low	39.6	Very low	130 Å²	130	127.6 Å²	127.6	68%	0.681	69%	0.688	S	S	*	*	H	α-helix	trans	-68	-32.8	-176.7	-74.5	164.9	0	0	0	113.5	L13 S14 G15	L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 2.88Å; L11-S14 WeakPolarHBondContact O-CB 3.31Å; L11-S14 PolarHBondContact O-N 3.3Å; L11-S14 VanDerWaalsContact O-N 3.16Å; L11-G15 PolarHBondContact O-N 3.37Å
12	L	41.7	Very low	40	Very low	138 Å²	138	121.3 Å²	121.3	72%	0.723	66%	0.664	S	S	*	*	H	α-helix	trans	-67.5	-32.4	177.8	-70.7	170	0	0	0	112.3	I10	I10-L12 PolarHBondContact O-N 2.89Å
13	L	37.4	Very low	40.8	Very low	114 Å²	114	116 Å²	116	60%	0.597	64%	0.643	S	S	*	*	H	α-helix	trans	-74.8	-27.3	172.8	-72.9	164.5	0	0	0	112.2	I10 L11 L17	I10-L13 PolarHBondContact O-N 3.48Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 2.88Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.35Å; L13-L17 VanDerWaalsContact O-N 3.09Å
14	S	42.2	Very low	41.7	Very low	60 Å²	60	111 Å²	111	42%	0.42	62%	0.617	S	S	.	*	H	α-helix	trans	-65.7	-43.9	175.8	-48.4	0	0	0	0	112.3	I10 L11 L17 A18	I10-S14 PolarHBondContact O-N 2.89Å; I10-S14 PolarHBondContact O-OG 3.45Å; I10-S14 VanDerWaalsContact O-OG 3.09Å; L11-S14 WeakPolarHBondContact O-CB 3.31Å; L11-S14 PolarHBondContact O-N 3.3Å; L11-S14 VanDerWaalsContact O-N 3.16Å; S14-L17 PolarHBondContact O-N 3.47Å; S14-A18 PolarHBondContact O-N 2.91Å; S14-A18 VanDerWaalsContact O-N 3.09Å
15	G	38.7	Very low	43.4	Very low	42 Å²	42	105.4 Å²	105.4	43%	0.433	60%	0.595	S	S	.	*	H	α-helix	trans	-66.3	-39.2	178.1	0	0	0	0	0	113.3	L11 L19	L11-G15 PolarHBondContact O-N 3.37Å; G15-L19 PolarHBondContact O-N 3.03Å
16	A	37.5	Very low	45.8	Very low	57 Å²	57	105.3 Å²	105.3	47%	0.471	59%	0.589	S	S	.	*	H	α-helix	trans	-65.4	-40.8	175.5	0	0	0	0	0	112.3	L19 T20	A16-L19 PolarHBondContact O-N 3.31Å; A16-T20 PolarHBondContact O-OG1 3.36Å
17	L	36.6	Very low	48.4	Very low	116 Å²	116	102.4 Å²	102.4	61%	0.607	57%	0.568	S	S	*	*	H	α-helix	trans	-68.3	-39.5	178.8	-76.1	166.6	0	0	0	112.6	L13 S14 L19 T20	L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.35Å; L13-L17 VanDerWaalsContact O-N 3.09Å; S14-L17 PolarHBondContact O-N 3.47Å; L17-L19 VanDerWaalsContact C-N 3.25Å; L17-L19 PolarHBondContact O-N 3.46Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 WeakPolarHBondContact O-CA 3.32Å; L17-T20 PolarHBondContact O-N 2.89Å; L17-T20 PolarHBondContact O-OG1 2.95Å
18	A	37.4	Very low	50.7	Low	67 Å²	67	92.8 Å²	92.8	55%	0.554	54%	0.535	S	S	*	.	H	α-helix	trans	-63.9	-27.9	176.7	0	0	0	0	0	113.4	S14 T20	S14-A18 PolarHBondContact O-N 2.91Å; S14-A18 VanDerWaalsContact O-N 3.09Å; A18-T20 PolarHBondContact O-N 3.06Å
19	L	37.8	Very low	53.1	Low	133 Å²	133	87.7 Å²	87.7	70%	0.696	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	3.9	172.1	-80.5	162.4	0	0	0	113.7	G15 A16 L17	G15-L19 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 3.31Å; L17-L19 VanDerWaalsContact C-N 3.25Å; L17-L19 PolarHBondContact O-N 3.46Å
20	T	36.2	Very low	55.9	Low	99 Å²	99	84.1 Å²	84.1	61%	0.607	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	17.3	179	59.1	0	0	0	0	113.5	A16 L17 A18 T22	A16-T20 PolarHBondContact O-OG1 3.36Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 WeakPolarHBondContact O-CA 3.32Å; L17-T20 PolarHBondContact O-N 2.89Å; L17-T20 PolarHBondContact O-OG1 2.95Å; A18-T20 PolarHBondContact O-N 3.06Å; T20-T22 PolarHBondContact O-N 3.38Å
21	E	41	Very low	58.5	Low	163 Å²	163	78.8 Å²	78.8	76%	0.762	45%	0.454	S	S	*	.	S	Bend	trans	-72.5	77.2	170.9	-74.9	-164	126.7	0	0	111.7
22	T	42.2	Very low	61.1	Low	110 Å²	110	76.7 Å²	76.7	68%	0.675	44%	0.439	S	S	*	.			trans	59.7	77	151.4	53.6	0	0	0	0	117.9	T20 A24	T20-T22 PolarHBondContact O-N 3.38Å; T22-A24 HydrophobicContact CG2-CB 3.98Å; T22-A24 PolarHBondContact O-N 2.92Å
23	W	50.8	Low	63.8	Low	140 Å²	140	70.5 Å²	70.5	53%	0.53	41%	0.406	S	S	.	.			trans	-68.2	59.5	134.9	-69.8	107.1	0	0	0	109.8	E288	W23-E288 HydrophobicContact CD2-CB 4.41Å; W23-E288 HydrophobicContact CE3-CB 3.54Å; W23-E288 HydrophobicContact CE3-CG 3.73Å; W23-E288 HydrophobicContact CH2-CB 4.34Å; W23-E288 VanDerWaalsContact CH2-N 3.33Å; W23-E288 HydrophobicContact CZ3-CB 3.51Å; W23-E288 HydrophobicContact CZ3-CG 4.19Å
24	A	53.8	Low	66.8	Low	37 Å²	37	67.1 Å²	67.1	31%	0.306	39%	0.391	S	S	.	.			trans	-109.1	105.6	176.5	0	0	0	0	0	106.3	T22 S26 P129	T22-A24 HydrophobicContact CG2-CB 3.98Å; T22-A24 PolarHBondContact O-N 2.92Å; A24-S26 PolarHBondContact O-N 3.31Å; A24-P129 HydrophobicContact CB-CB 4.32Å; A24-P129 HydrophobicContact CB-CG 3.5Å; A24-P129 VanDerWaalsContact CB-CG 3.5Å; A24-P129 WeakPolarHBondContact O-CG 3.37Å
25	C	72.2	Confident	69.4	Low	63 Å²	63	64.4 Å²	64.4	43%	0.426	37%	0.371	S	S	.	.			trans	-47.4	102.4	-164.9	-48.7	0	0	0	0	112.4	E288	C25-E288 PolarHBondContact SG-OE1 2.9Å
26	S	90.4	Very high	72.3	Confident	74 Å²	74	64.8 Å²	64.8	52%	0.517	37%	0.365	S	S	.	.			trans	-96	139.3	169.2	58.2	0	0	0	0	108.8	A24 L127	A24-S26 PolarHBondContact O-N 3.31Å; S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.47Å; S26-L127 WeakPolarHBondContact CB-O 3.37Å
27	H	95.1	Very high	75.2	Confident	35 Å²	35	62.9 Å²	62.9	16%	0.162	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.5	-178.3	-68.8	-71.9	0	0	0	111.2	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.31Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 2.74Å; H27-D53 IonicContact CG-OD2 3.32Å; H27-D53 IonicContact ND1-OD1 2.72Å; H27-D53 IonicContact ND1-OD2 2.68Å; H27-D53 PolarHBondContact ND1-OD2 3.32Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.47Å; H27-L127 PolarHBondContact N-O 2.93Å; H27-L127 PolarHBondContact O-N 2.84Å; H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L196 HydrophobicContact CB-CD1 3.61Å; H27-L196 HydrophobicContact CB-CD2 3.9Å; H27-L196 HydrophobicContact CB-CG 4.35Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.39Å
28	S	97.4	Very high	78	Confident	22 Å²	22	60.9 Å²	60.9	15%	0.154	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.4	-174.6	64.3	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.28Å; S28-V52 WeakPolarHBondContact O-CA 3.33Å; S28-D53 PolarHBondContact N-OD1 2.84Å; S28-D53 PolarHBondContact O-N 3.43Å; S28-D53 PolarHBondContact OG-OD1 3.48Å; S28-D53 VanDerWaalsContact OG-OD1 3.11Å; S28-C125 CarbonylContact C-O 3.55Å; S28-C125 WeakPolarHBondContact CA-O 3.34Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å
29	M	98.6	Very high	80.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.1	166.5	179.3	175.2	58.4	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 3.9Å; M29-Y31 HydrophobicContact SD-CE2 3.8Å; M29-Y51 WeakPolarHBondContact CA-O 3.34Å; M29-V52 HydrophobicContact CB-CG2 4.48Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.42Å; M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.46Å; M29-C125 PolarHBondContact N-O 2.89Å; M29-C125 PolarHBondContact O-N 3.4Å; M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.42Å; M29-C188 WeakPolarHBondContact CE-SG 3.4Å; M29-W191 HydrophobicContact CE-CB 4.15Å; M29-W191 HydrophobicContact SD-CB 4.44Å; M29-L192 HydrophobicContact CB-CB 3.98Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.93Å; M29-L192 HydrophobicContact CB-CG 4.2Å; M29-L192 HydrophobicContact CE-CB 4.27Å; M29-Y195 HydrophobicContact SD-CD2 3.81Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.6	Very high	83.2	Confident	48 Å²	48	58.3 Å²	58.3	18%	0.181	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.3	-176.1	-52.3	-60.4	-172.1	76.5	4.7	110.1	F32 G50 Y51 M122 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; R30-G50 WeakPolarHBondContact O-CA 3.43Å; R30-Y51 PolarHBondContact N-O 3.22Å; R30-Y51 PolarHBondContact O-N 2.98Å; R30-M122 HydrophobicContact CB-SD 4.5Å; R30-D126 IonicContact CZ-OD1 3.49Å; R30-D126 VanDerWaalsContact CZ-OD1 3.22Å; R30-D126 IonicContact CZ-OD2 3.1Å; R30-D126 IonicContact NE-OD1 3.55Å; R30-D126 PolarHBondContact NE-OD1 2.93Å; R30-D126 IonicContact NH2-OD1 3.82Å; R30-D126 PolarHBondContact NH2-OD1 3.38Å; R30-D126 IonicContact NH2-OD2 3.59Å; R30-D126 PolarHBondContact NH2-OD2 2.87Å; R30-Y137 PolarHBondContact NH2-OH 3.03Å
31	Y	98.8	Very high	85.9	Confident	7 Å²	7	63.6 Å²	63.6	3%	0.027	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.9	169.6	-66.4	-94.2	0	0	0	108.9	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 3.9Å; M29-Y31 HydrophobicContact SD-CE2 3.8Å; Y31-Y33 HydrophobicContact CD1-CE1 4.23Å; Y31-Y33 HydrophobicContact CG-CE1 4.49Å; Y31-V49 WeakPolarHBondContact CA-O 3.21Å; Y31-F57 AromaticContact CE1-CZ 3.95Å; Y31-F57 HydrophobicContact CE1-CZ 3.95Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; Y31-V58 HydrophobicContact CE1-CG1 4.23Å; Y31-M122 WeakPolarHBondContact O-CA 3.42Å; Y31-Y123 HydrophobicContact CD2-CD2 4.16Å; Y31-Y123 AromaticContact CD2-CE2 3.42Å; Y31-Y123 HydrophobicContact CD2-CE2 3.42Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.42Å; Y31-Y123 AromaticContact CD2-CZ 3.77Å; Y31-Y123 HydrophobicContact CE2-CE2 4.12Å; Y31-Y123 HydrophobicContact CG-CE1 4.46Å; Y31-Y123 AromaticContact CG-CE2 3.93Å; Y31-Y123 HydrophobicContact CG-CE2 3.93Å; Y31-Y123 AromaticContact CG-CZ 3.78Å; Y31-Y123 PolarHBondContact N-O 3.41Å; Y31-Y123 PolarHBondContact O-N 3.14Å
32	F	98.9	Very high	88.4	Confident	86 Å²	86	58.5 Å²	58.5	38%	0.377	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.2	177.6	-56	-97.2	0	0	0	108.7	R30 V49 Y51 M122	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.38Å; F32-V49 PolarHBondContact N-O 3.46Å; F32-V49 PolarHBondContact O-N 3.4Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; F32-M122 HydrophobicContact CD1-CB 4.06Å; F32-M122 HydrophobicContact CD1-CG 3.5Å; F32-M122 HydrophobicContact CE1-CB 4.33Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CG-CG 4.28Å; F32-M122 HydrophobicContact CZ-CG 4.1Å
33	Y	98.8	Very high	90.9	Very high	8 Å²	8	58 Å²	58	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.2	177.5	-61.6	-8	0	0	0	109.9	Y31 F46 I47 A48 Y91 Q94 Q120 W121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.23Å; Y31-Y33 HydrophobicContact CG-CE1 4.49Å; Y33-F46 HydrophobicContact CD1-CZ 4.31Å; Y33-F46 HydrophobicContact CD2-CE2 4.08Å; Y33-F46 AromaticContact CD2-CZ 3.85Å; Y33-F46 HydrophobicContact CD2-CZ 3.85Å; Y33-F46 HydrophobicContact CE2-CZ 4.35Å; Y33-F46 HydrophobicContact CG-CE2 4.08Å; Y33-F46 AromaticContact CG-CZ 3.84Å; Y33-F46 HydrophobicContact CG-CZ 3.84Å; Y33-I47 CarbonylContact C-O 3.38Å; Y33-I47 WeakPolarHBondContact CA-O 3.38Å; Y33-A48 HydrophobicContact CD1-CB 3.25Å; Y33-A48 HydrophobicContact CE1-CB 3.41Å; Y33-A48 VanDerWaalsContact CE1-CB 3.41Å; Y33-A48 HydrophobicContact CG-CB 4.12Å; Y33-Y91 HydrophobicContact CE1-CD1 4.16Å; Y33-Y91 AromaticContact CE1-CE1 3.78Å; Y33-Y91 HydrophobicContact CE1-CE1 3.78Å; Y33-Y91 AromaticContact CZ-CE1 3.84Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.43Å; Y33-Q94 HydrophobicContact CD2-CG 3.78Å; Y33-Q94 HydrophobicContact CE2-CB 4.47Å; Y33-Q94 HydrophobicContact CE2-CG 3.97Å; Y33-Q120 WeakPolarHBondContact O-CA 3.28Å; Y33-W121 AromaticContact CD2-CE3 3.53Å; Y33-W121 HydrophobicContact CD2-CE3 3.53Å; Y33-W121 AromaticContact CD2-CZ3 3.8Å; Y33-W121 HydrophobicContact CD2-CZ3 3.8Å; Y33-W121 HydrophobicContact CE2-CE3 4.04Å; Y33-W121 AromaticContact CE2-CZ3 3.82Å; Y33-W121 HydrophobicContact CE2-CZ3 3.82Å; Y33-W121 HydrophobicContact CG-CE3 4.49Å; Y33-W121 PolarHBondContact N-O 2.91Å; Y33-W121 PolarHBondContact O-N 3.01Å; Y33-Y123 HydrophobicContact CD2-CE1 4.3Å; Y33-Y123 HydrophobicContact CE1-CE1 4.48Å; Y33-Y123 AromaticContact CE2-CE1 3.66Å; Y33-Y123 HydrophobicContact CE2-CE1 3.66Å; Y33-Y123 AromaticContact CZ-CE1 3.77Å; Y33-Y123 PolarHBondContact OH-OH 2.94Å
34	T	98.9	Very high	93.1	Very high	43 Å²	43	52.6 Å²	52.6	26%	0.264	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	118.6	179.9	-59.5	0	0	0	0	110	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.01Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 2.92Å; T34-T118 HydrophobicContact CG2-CG2 4.12Å; T34-L119 CarbonylContact C-O 3.58Å; T34-L119 WeakPolarHBondContact CA-O 3.45Å; T34-Q120 HydrophobicContact CG2-CG 3.96Å
35	A	98.8	Very high	95.2	Very high	2 Å²	2	55 Å²	55	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.6	176.4	0	0	0	0	0	110.2	R45 F46 D98 L102 L119	A35-R45 CarbonylContact C-O 3.5Å; A35-R45 WeakPolarHBondContact CA-O 3.39Å; A35-F46 HydrophobicContact CB-CD2 4.35Å; A35-D98 HydrophobicContact CB-CB 3.61Å; A35-L102 HydrophobicContact CB-CD1 3.88Å; A35-L119 HydrophobicContact CB-CB 4.49Å; A35-L119 PolarHBondContact N-O 2.84Å; A35-L119 PolarHBondContact O-N 3.11Å
36	V	98.6	Very high	96.5	Very high	50 Å²	50	52.1 Å²	52.1	30%	0.303	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.6	-178.7	-172.8	0	0	0	0	109.6	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.01Å; V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.35Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; V36-R45 PolarHBondContact N-O 3.43Å; V36-R45 PolarHBondContact O-N 2.86Å; V36-H117 WeakPolarHBondContact CA-O 3.34Å; V36-T118 HydrophobicContact CG2-CG2 4.35Å
37	S	98	Very high	96.9	Very high	18 Å²	18	51 Å²	51	13%	0.126	28%	0.277	C	S	.	.			trans	-69	143.7	173.9	80.9	0	0	0	0	110.7	G115 S116 H117	S37-G115 PolarHBondContact OG-O 3.07Å; S37-S116 PolarHBondContact O-OG 3.19Å; S37-H117 PolarHBondContact N-O 2.77Å; S37-H117 PolarHBondContact OG-N 3.4Å
38	R	96.3	Very high	97	Very high	73 Å²	73	49.4 Å²	49.4	28%	0.275	27%	0.27	S	S	.	.			trans	-136.2	74.8	-178.7	53.4	171.8	170.9	-154.5	-19.7	111.9	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.91Å; R38-R41 HydrophobicContact CB-CB 4.11Å; R38-R41 WeakPolarHBondContact CD-O 3.49Å; R38-R41 HydrophobicContact CG-CB 4.17Å; R38-R41 PolarHBondContact NE-O 2.88Å; R38-R41 PolarHBondContact O-N 3.02Å; R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 3.36Å; R38-E43 PolarHBondContact NH2-O 3.31Å; R38-D63 IonicContact CZ-OD1 2.77Å; R38-D63 IonicContact CZ-OD2 2.65Å; R38-D63 IonicContact NH1-OD1 2.77Å; R38-D63 IonicContact NH1-OD2 3.59Å; R38-D63 PolarHBondContact NH1-OD2 2.94Å; R38-D63 IonicContact NH2-OD1 3.39Å; R38-D63 PolarHBondContact NH2-OD1 3.45Å; R38-D63 IonicContact NH2-OD2 3.44Å; R38-D63 PolarHBondContact NH2-OD2 3.01Å
39	P	92.8	Very high	97.1	Very high	55 Å²	55	49.8 Å²	49.8	36%	0.357	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	132.7	-178.1	-28.6	35.6	0	0	0	113.1	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.35Å; P39-E113 WeakPolarHBondContact CB-O 3.4Å; P39-E113 VanDerWaalsContact CG-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.16Å; P39-G115 WeakPolarHBondContact CG-O 3.28Å
40	G	91.6	Very high	97.1	Very high	91 Å²	91	49.8 Å²	49.8	94%	0.938	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	2.2	-176.9	0	0	0	0	0	116.1	R38	R38-G40 PolarHBondContact O-N 2.91Å
41	R	93.3	Very high	97.1	Very high	211 Å²	211	50.9 Å²	50.9	80%	0.796	28%	0.276	S	S	*	.	S	Bend	trans	-123.6	22.4	-178.8	-58.9	-175.3	179.4	-173.8	-0.2	113.8	R38 P39	R38-R41 HydrophobicContact CB-CB 4.11Å; R38-R41 WeakPolarHBondContact CD-O 3.49Å; R38-R41 HydrophobicContact CG-CB 4.17Å; R38-R41 PolarHBondContact NE-O 2.88Å; R38-R41 PolarHBondContact O-N 3.02Å; P39-R41 PolarHBondContact O-N 3.35Å
42	G	91.8	Very high	97.1	Very high	56 Å²	56	50.6 Å²	50.6	58%	0.577	28%	0.275	S	S	*	.	S	Bend	trans	94.9	-163.5	-179.7	0	0	0	0	0	113.6
43	E	94.7	Very high	96.9	Very high	98 Å²	98	47.9 Å²	47.9	46%	0.458	26%	0.264	S	S	.	.	S	Bend	trans	-71.5	154.9	-176.4	-62.9	-58.6	167.8	0	0	112.6	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 3.36Å; R38-E43 PolarHBondContact NH2-O 3.31Å; E43-R45 PolarHBondContact O-N 3.43Å; E43-R99 VanDerWaalsContact CD-NE 3.28Å; E43-R99 IonicContact OE1-CZ 2.81Å; E43-R99 IonicContact OE1-NE 3.93Å; E43-R99 IonicContact OE1-NH2 3.22Å; E43-R99 PolarHBondContact OE1-NH2 3.41Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 IonicContact OE2-NE 2.76Å; E43-R99 PolarHBondContact OE2-NE 2.92Å; E43-R99 IonicContact OE2-NH2 3.7Å; E43-R99 PolarHBondContact OE2-NH2 3.32Å
44	P	97.4	Very high	96.8	Very high	27 Å²	27	50.3 Å²	50.3	18%	0.175	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-50	134.8	175.8	-26.5	35	0	0	0	112.2	V36 R99 L102	V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.35Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; P44-R99 HydrophobicContact CG-CB 4.41Å; P44-R99 HydrophobicContact CG-CG 4.26Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.84Å
45	R	98.4	Very high	96.6	Very high	88 Å²	88	49.6 Å²	49.6	33%	0.332	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.1	173.3	-178	179.6	-177.4	-173.6	-0.5	108.3	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.5Å; A35-R45 WeakPolarHBondContact CA-O 3.39Å; V36-R45 PolarHBondContact N-O 3.43Å; V36-R45 PolarHBondContact O-N 2.86Å; E43-R45 PolarHBondContact O-N 3.43Å; R45-I47 HydrophobicContact CG-CG1 4.26Å; R45-D61 IonicContact CZ-OD1 2.68Å; R45-D61 IonicContact CZ-OD2 3.19Å; R45-D61 IonicContact NE-OD1 3.62Å; R45-D61 PolarHBondContact NE-OD1 3.37Å; R45-D61 IonicContact NE-OD2 2.64Å; R45-D61 VanDerWaalsContact NH2-CG 3.28Å; R45-D61 IonicContact NH2-OD1 3.45Å; R45-D61 PolarHBondContact NH2-OD1 2.81Å; R45-D61 VanDerWaalsContact NH2-OD1 3.08Å; R45-D61 IonicContact NH2-OD2 3.4Å; R45-D61 PolarHBondContact NH2-OD2 3.43Å; R45-S62 WeakPolarHBondContact CA-OG 3.39Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.43Å; R45-D63 IonicContact NE-OD2 3.81Å
46	F	98.8	Very high	96.6	Very high	3 Å²	3	52 Å²	52	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.2	175	173.8	-88.8	0	0	0	109.4	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.31Å; Y33-F46 HydrophobicContact CD2-CE2 4.08Å; Y33-F46 AromaticContact CD2-CZ 3.85Å; Y33-F46 HydrophobicContact CD2-CZ 3.85Å; Y33-F46 HydrophobicContact CE2-CZ 4.35Å; Y33-F46 HydrophobicContact CG-CE2 4.08Å; Y33-F46 AromaticContact CG-CZ 3.84Å; Y33-F46 HydrophobicContact CG-CZ 3.84Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; A35-F46 HydrophobicContact CB-CD2 4.35Å; F46-A48 HydrophobicContact CE1-CB 3.67Å; F46-A48 HydrophobicContact CZ-CB 3.87Å; F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 WeakPolarHBondContact O-CB 3.23Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 2.9Å; F46-Y91 HydrophobicContact CE1-CD1 4.41Å; F46-Q94 HydrophobicContact CE2-CB 4.08Å; F46-Q94 HydrophobicContact CE2-CG 3.76Å; F46-Q94 HydrophobicContact CZ-CB 3.95Å; F46-Q94 HydrophobicContact CZ-CG 3.99Å; F46-A95 HydrophobicContact CB-CB 3.66Å; F46-A95 HydrophobicContact CD1-CB 3.9Å; F46-A95 HydrophobicContact CD2-CB 4.18Å; F46-A95 HydrophobicContact CG-CB 3.65Å; F46-D98 VanDerWaalsContact CD2-OD2 3.3Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.42Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.4Å
47	I	98.8	Very high	96.6	Very high	51 Å²	51	49.6 Å²	49.6	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.4	172	-56	177.4	0	0	0	107.3	Y33 T34 R45	Y33-I47 CarbonylContact C-O 3.38Å; Y33-I47 WeakPolarHBondContact CA-O 3.38Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 2.92Å; R45-I47 HydrophobicContact CG-CG1 4.26Å
48	A	98.8	Very high	96.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.6	170.9	0	0	0	0	0	110.1	Y33 F46 R59 F60 Y91	Y33-A48 HydrophobicContact CD1-CB 3.25Å; Y33-A48 HydrophobicContact CE1-CB 3.41Å; Y33-A48 VanDerWaalsContact CE1-CB 3.41Å; Y33-A48 HydrophobicContact CG-CB 4.12Å; F46-A48 HydrophobicContact CE1-CB 3.67Å; F46-A48 HydrophobicContact CZ-CB 3.87Å; A48-R59 CarbonylContact O-C 3.58Å; A48-R59 WeakPolarHBondContact O-CA 3.24Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.93Å; A48-F60 PolarHBondContact O-N 3.47Å; A48-Y91 HydrophobicContact CB-CD1 3.68Å; A48-Y91 HydrophobicContact CB-CE1 3.74Å
49	V	98.8	Very high	96.7	Very high	30 Å²	30	49.2 Å²	49.2	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.4	170.8	-62.3	0	0	0	0	109.9	Y31 F32 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.21Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.38Å; F32-V49 PolarHBondContact N-O 3.46Å; F32-V49 PolarHBondContact O-N 3.4Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; V49-R59 HydrophobicContact CG1-CG 4.33Å
50	G	98.7	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.3	175.3	0	0	0	0	0	110.8	R30 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.43Å; G50-F57 VanDerWaalsContact C-CD1 3.44Å; G50-F57 VanDerWaalsContact O-CD1 3.24Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 2.7Å; G50-V58 PolarHBondContact N-O 2.93Å; G50-V58 PolarHBondContact O-N 3.02Å
51	Y	98.6	Very high	97.3	Very high	72 Å²	72	43 Å²	43	28%	0.282	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.3	-176.6	-78.1	-104.6	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.34Å; R30-Y51 PolarHBondContact N-O 3.22Å; R30-Y51 PolarHBondContact O-N 2.98Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; Y51-T55 WeakPolarHBondContact CA-O 3.39Å; Y51-Q56 HydrophobicContact CD1-CB 4.08Å; Y51-Q56 HydrophobicContact CD2-CB 4.46Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.65Å; Y51-Q56 HydrophobicContact CE1-CG 4.36Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å
52	V	98.1	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.3	157.3	174.9	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.28Å; S28-V52 WeakPolarHBondContact O-CA 3.33Å; M29-V52 HydrophobicContact CB-CG2 4.48Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; V52-D54 PolarHBondContact O-N 3.13Å; V52-T55 PolarHBondContact N-O 2.7Å; V52-T55 WeakPolarHBondContact O-CA 3.41Å; V52-T55 WeakPolarHBondContact O-CB 3.37Å; V52-T55 PolarHBondContact O-N 2.81Å; V52-F57 HydrophobicContact CG2-CD1 3.89Å; V52-F57 HydrophobicContact CG2-CE1 3.94Å; V52-W75 HydrophobicContact CB-CH2 4.22Å; V52-W75 HydrophobicContact CB-CZ2 4.33Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; V52-Y195 HydrophobicContact CG2-CD2 3.75Å; V52-Y195 HydrophobicContact CG2-CG 4.33Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.36Å; V52-L203 HydrophobicContact CB-CD2 4.28Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.13Å
53	D	95.6	Very high	97.8	Very high	29 Å²	29	35.3 Å²	35.3	16%	0.155	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	-133.3	-165.4	-52.3	-42.8	0	0	0	110.5	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.31Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 2.74Å; H27-D53 IonicContact CG-OD2 3.32Å; H27-D53 IonicContact ND1-OD1 2.72Å; H27-D53 IonicContact ND1-OD2 2.68Å; H27-D53 PolarHBondContact ND1-OD2 3.32Å; S28-D53 PolarHBondContact N-OD1 2.84Å; S28-D53 PolarHBondContact O-N 3.43Å; S28-D53 PolarHBondContact OG-OD1 3.48Å; S28-D53 VanDerWaalsContact OG-OD1 3.11Å; D53-T55 PolarHBondContact O-N 2.94Å
54	D	95.5	Very high	97.9	Very high	60 Å²	60	32.4 Å²	32.4	32%	0.321	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-3.2	177	-64.6	-62.1	0	0	0	114.2	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.13Å; D54-Y233 HydrophobicContact CB-CE2 3.94Å; D54-P234 WeakPolarHBondContact OD2-CB 3.4Å; D54-A235 HydrophobicContact CB-CB 4.44Å; D54-A235 VanDerWaalsContact CG-CB 3.46Å; D54-A235 WeakPolarHBondContact OD1-CB 3.37Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 3.12Å; D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	96.4	Very high	97.9	Very high	28 Å²	28	36.8 Å²	36.8	17%	0.172	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.7	-174.4	-64.9	0	0	0	0	112	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.39Å; V52-T55 PolarHBondContact N-O 2.7Å; V52-T55 WeakPolarHBondContact O-CA 3.41Å; V52-T55 WeakPolarHBondContact O-CB 3.37Å; V52-T55 PolarHBondContact O-N 2.81Å; D53-T55 PolarHBondContact O-N 2.94Å; T55-F57 PolarHBondContact O-N 2.96Å; T55-A73 HydrophobicContact CG2-CB 4.16Å; T55-W75 HydrophobicContact CG2-CZ2 4.31Å; T55-L203 HydrophobicContact CG2-CD2 3.99Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.41Å; T55-Y233 PolarHBondContact OG1-OH 3.08Å
56	Q	97.6	Very high	97.8	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.9	171.5	-166.7	-174.8	1.9	0	0	110.7	Y51 V58 R72	Y51-Q56 HydrophobicContact CD1-CB 4.08Å; Y51-Q56 HydrophobicContact CD2-CB 4.46Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.65Å; Y51-Q56 HydrophobicContact CE1-CG 4.36Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 2.9Å; Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; Q56-R72 CarbonylContact O-C 3.56Å; Q56-R72 WeakPolarHBondContact O-CB 3.17Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-22	178.6	74.8	-90.3	0	0	0	114.5	M29 Y31 G50 V52 T55 P71 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.42Å; Y31-F57 AromaticContact CE1-CZ 3.95Å; Y31-F57 HydrophobicContact CE1-CZ 3.95Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; G50-F57 VanDerWaalsContact C-CD1 3.44Å; G50-F57 VanDerWaalsContact O-CD1 3.24Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 2.7Å; V52-F57 HydrophobicContact CG2-CD1 3.89Å; V52-F57 HydrophobicContact CG2-CE1 3.94Å; T55-F57 PolarHBondContact O-N 2.96Å; F57-P71 CarbonylContact O-C 3.56Å; F57-R72 PolarHBondContact O-N 3.03Å; F57-A73 HydrophobicContact CB-CB 4.17Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.5Å; F57-W75 HydrophobicContact CB-CZ3 3.86Å; F57-W75 AromaticContact CD1-CH2 3.91Å; F57-W75 HydrophobicContact CD1-CH2 3.91Å; F57-W75 HydrophobicContact CD2-CH2 4.16Å; F57-W75 HydrophobicContact CD2-CZ3 4.31Å; F57-W75 AromaticContact CG-CH2 3.51Å; F57-W75 HydrophobicContact CG-CH2 3.51Å; F57-W75 HydrophobicContact CG-CZ2 4.27Å; F57-W75 HydrophobicContact CG-CZ3 4.1Å; F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.24Å; F57-V76 VanDerWaalsContact O-CG1 3.29Å; F57-V76 WeakPolarHBondContact O-CG1 3.4Å; F57-Y195 HydrophobicContact CD2-CE2 4.4Å; F57-Y195 HydrophobicContact CE1-CE2 4.27Å; F57-Y195 HydrophobicContact CE2-CD2 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CE2-CE2 3.67Å; F57-Y195 AromaticContact CE2-CZ 3.78Å; F57-Y195 HydrophobicContact CZ-CD2 4.29Å; F57-Y195 AromaticContact CZ-CE2 3.6Å; F57-Y195 HydrophobicContact CZ-CE2 3.6Å
58	V	98.4	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.5	-179.1	65.1	0	0	0	0	113	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.23Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; G50-V58 PolarHBondContact N-O 2.93Å; G50-V58 PolarHBondContact O-N 3.02Å; Q56-V58 PolarHBondContact NE2-O 2.9Å; V58-E70 WeakPolarHBondContact CA-O 3.31Å; V58-W84 HydrophobicContact CG2-CZ3 4.06Å; V58-Y91 WeakPolarHBondContact CG1-OH 2.95Å; V58-Y91 HydrophobicContact CG2-CE2 4.28Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.01Å
59	R	98.4	Very high	97.6	Very high	83 Å²	83	43.2 Å²	43.2	31%	0.313	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.5	168.7	-179.6	172.3	171.6	170.3	-4.2	111.4	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.58Å; A48-R59 WeakPolarHBondContact O-CA 3.24Å; V49-R59 HydrophobicContact CG1-CG 4.33Å; R59-D61 IonicContact CZ-OD2 3.11Å; R59-D61 IonicContact NE-OD2 2.75Å; R59-D61 IonicContact NH2-OD2 2.68Å; R59-D61 PolarHBondContact NH2-OD2 2.92Å; R59-E70 PolarHBondContact N-O 3.09Å; R59-E70 PolarHBondContact O-N 3.22Å; R59-R72 HydrophobicContact CB-CG 3.99Å
60	F	98.8	Very high	97.6	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.6	160.7	175.3	-78.5	0	0	0	109	F46 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 3.87Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.93Å; A48-F60 PolarHBondContact O-N 3.47Å; F60-P67 HydrophobicContact CE1-CB 4.36Å; F60-P67 HydrophobicContact CE2-CB 3.81Å; F60-P67 HydrophobicContact CZ-CB 3.57Å; F60-R68 VanDerWaalsContact CD2-C 3.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.5Å; F60-Y91 HydrophobicContact CB-CD1 4.33Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.45Å; F60-Y91 AromaticContact CD2-CD2 3.68Å; F60-Y91 HydrophobicContact CD2-CD2 3.68Å; F60-Y91 AromaticContact CD2-CG 3.91Å; F60-Y91 HydrophobicContact CD2-CG 3.91Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; F60-K92 HydrophobicContact CE2-CG 4.06Å; F60-K92 HydrophobicContact CZ-CG 3.91Å
61	D	98.7	Very high	97.5	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	121.5	178.5	-157.5	-36.6	0	0	0	109.4	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.68Å; R45-D61 IonicContact CZ-OD2 3.19Å; R45-D61 IonicContact NE-OD1 3.62Å; R45-D61 PolarHBondContact NE-OD1 3.37Å; R45-D61 IonicContact NE-OD2 2.64Å; R45-D61 VanDerWaalsContact NH2-CG 3.28Å; R45-D61 IonicContact NH2-OD1 3.45Å; R45-D61 PolarHBondContact NH2-OD1 2.81Å; R45-D61 VanDerWaalsContact NH2-OD1 3.08Å; R45-D61 IonicContact NH2-OD2 3.4Å; R45-D61 PolarHBondContact NH2-OD2 3.43Å; R59-D61 IonicContact CZ-OD2 3.11Å; R59-D61 IonicContact NE-OD2 2.75Å; R59-D61 IonicContact NH2-OD2 2.68Å; R59-D61 PolarHBondContact NH2-OD2 2.92Å; D61-D63 PolarHBondContact O-N 2.71Å; D61-D63 PolarHBondContact OD1-N 3.15Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.44Å; D61-A64 PolarHBondContact O-N 2.9Å
62	S	98.3	Very high	97.5	Very high	34 Å²	34	48.9 Å²	48.9	24%	0.238	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.7	-177	66.3	0	0	0	0	113.7	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.39Å; F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 WeakPolarHBondContact O-CB 3.23Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 2.9Å; S62-P67 WeakPolarHBondContact O-CG 3.32Å
63	D	97.6	Very high	97.4	Very high	71 Å²	71	49.1 Å²	49.1	38%	0.38	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1.1	-177.1	-73.4	16.4	0	0	0	112.6	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.77Å; R38-D63 IonicContact CZ-OD2 2.65Å; R38-D63 IonicContact NH1-OD1 2.77Å; R38-D63 IonicContact NH1-OD2 3.59Å; R38-D63 PolarHBondContact NH1-OD2 2.94Å; R38-D63 IonicContact NH2-OD1 3.39Å; R38-D63 PolarHBondContact NH2-OD1 3.45Å; R38-D63 IonicContact NH2-OD2 3.44Å; R38-D63 PolarHBondContact NH2-OD2 3.01Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.43Å; R45-D63 IonicContact NE-OD2 3.81Å; D61-D63 PolarHBondContact O-N 2.71Å; D61-D63 PolarHBondContact OD1-N 3.15Å
64	A	97.3	Very high	97.4	Very high	36 Å²	36	52.5 Å²	52.5	30%	0.298	30%	0.295	S	S	.	.	S	Bend	trans	-65.1	147.7	171	0	0	0	0	0	111.1	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.44Å; D61-A64 PolarHBondContact O-N 2.9Å; A64-S66 PolarHBondContact O-N 3.45Å; A64-S66 VanDerWaalsContact O-N 3.1Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.33Å; A64-P67 WeakPolarHBondContact O-CG 3.48Å
65	A	96.6	Very high	97.4	Very high	120 Å²	120	50.4 Å²	50.4	99%	0.992	28%	0.282	S	S	*	.	S	Bend	trans	-61.7	-21.7	-179.1	0	0	0	0	0	114
66	S	96.1	Very high	97.4	Very high	87 Å²	87	49 Å²	49	61%	0.608	27%	0.274	S	S	*	.	S	Bend	trans	-142.5	91.7	167.3	-173.8	0	0	0	0	108.8	A64 R68	A64-S66 PolarHBondContact O-N 3.45Å; A64-S66 VanDerWaalsContact O-N 3.1Å; S66-R68 PolarHBondContact O-N 2.66Å
67	P	97.1	Very high	97.3	Very high	34 Å²	34	52.5 Å²	52.5	22%	0.221	29%	0.29	C	S	.	.			trans	-64.5	118.6	-174.1	-24.6	35.9	0	0	0	111.6	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.36Å; F60-P67 HydrophobicContact CE2-CB 3.81Å; F60-P67 HydrophobicContact CZ-CB 3.57Å; S62-P67 WeakPolarHBondContact O-CG 3.32Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.33Å; A64-P67 WeakPolarHBondContact O-CG 3.48Å; P67-K92 WeakPolarHBondContact O-CE 3.14Å; P67-K92 PolarHBondContact O-NZ 2.95Å
68	R	97.8	Very high	97.2	Very high	150 Å²	150	58.5 Å²	58.5	57%	0.566	32%	0.318	S	S	*	.			trans	-149	162.8	178.2	62.3	-178.8	177.1	174.8	1.3	109.9	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.5Å; S66-R68 PolarHBondContact O-N 2.66Å; R68-E70 HydrophobicContact CG-CG 4.14Å; R68-T88 WeakPolarHBondContact CA-OG1 3.15Å; R68-T88 HydrophobicContact CB-CG2 4.27Å
69	G	97.5	Very high	97.1	Very high	5 Å²	5	59 Å²	59	5%	0.052	32%	0.321	C	S	.	.			trans	-65.4	134.4	164	0	0	0	0	0	109.4	T88	G69-T88 PolarHBondContact N-OG1 2.84Å
70	E	97.8	Very high	97	Very high	54 Å²	54	56.7 Å²	56.7	25%	0.252	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.6	179.7	-60.9	-175.5	143	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.31Å; R59-E70 PolarHBondContact N-O 3.09Å; R59-E70 PolarHBondContact O-N 3.22Å; R68-E70 HydrophobicContact CG-CG 4.14Å; E70-R72 IonicContact OE2-CZ 3.39Å; E70-R72 IonicContact OE2-NH2 3.86Å; E70-R72 PolarHBondContact OE2-NH2 2.91Å
71	P	97.9	Very high	96.9	Very high	47 Å²	47	61.3 Å²	61.3	31%	0.305	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	150	173.7	28.2	-34.9	0	0	0	111.4	F57 V76 E77 W84	F57-P71 CarbonylContact O-C 3.56Å; P71-V76 HydrophobicContact CB-CG1 3.88Å; P71-E77 HydrophobicContact CB-CG 3.67Å; P71-E77 HydrophobicContact CG-CG 3.9Å; P71-W84 HydrophobicContact CB-CH2 3.69Å; P71-W84 HydrophobicContact CB-CZ2 3.9Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.35Å
72	R	97.4	Very high	96.8	Very high	121 Å²	121	68.7 Å²	68.7	46%	0.457	39%	0.387	S	S	.	.	S	Bend	trans	-133	-6.1	175.8	-59.9	-66.7	162.7	178.3	-4.4	113.6	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; Q56-R72 CarbonylContact O-C 3.56Å; Q56-R72 WeakPolarHBondContact O-CB 3.17Å; F57-R72 PolarHBondContact O-N 3.03Å; R59-R72 HydrophobicContact CB-CG 3.99Å; E70-R72 IonicContact OE2-CZ 3.39Å; E70-R72 IonicContact OE2-NH2 3.86Å; E70-R72 PolarHBondContact OE2-NH2 2.91Å
73	A	95.9	Very high	96.8	Very high	5 Å²	5	67.4 Å²	67.4	4%	0.041	38%	0.377	C	S	.	.	S	Bend	trans	-133.5	142.9	169.7	0	0	0	0	0	110.4	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.16Å; F57-A73 HydrophobicContact CB-CB 4.17Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.22Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.08Å; A73-W75 PolarHBondContact O-N 3Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.95Å
74	P	96.1	Very high	96.8	Very high	100 Å²	100	65.9 Å²	65.9	65%	0.649	37%	0.366	S	S	*	.	H	α-helix	trans	-59.2	-33.9	-174.8	-26.8	35.4	0	0	0	114.5	V76 E77	P74-V76 PolarHBondContact O-N 2.82Å; P74-V76 VanDerWaalsContact O-N 3.17Å; P74-E77 WeakPolarHBondContact O-CB 3.26Å; P74-E77 PolarHBondContact O-N 2.89Å
75	W	95.9	Very high	96.8	Very high	15 Å²	15	69.2 Å²	69.2	6%	0.057	38%	0.378	C	S	.	.	H	α-helix	trans	-69.7	-10.7	-175.4	53.2	-108.2	0	0	0	115.2	V52 T55 F57 A73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.22Å; V52-W75 HydrophobicContact CB-CZ2 4.33Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; T55-W75 HydrophobicContact CG2-CZ2 4.31Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.5Å; F57-W75 HydrophobicContact CB-CZ3 3.86Å; F57-W75 AromaticContact CD1-CH2 3.91Å; F57-W75 HydrophobicContact CD1-CH2 3.91Å; F57-W75 HydrophobicContact CD2-CH2 4.16Å; F57-W75 HydrophobicContact CD2-CZ3 4.31Å; F57-W75 AromaticContact CG-CH2 3.51Å; F57-W75 HydrophobicContact CG-CH2 3.51Å; F57-W75 HydrophobicContact CG-CZ2 4.27Å; F57-W75 HydrophobicContact CG-CZ3 4.1Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.22Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.08Å; A73-W75 PolarHBondContact O-N 3Å; W75-Q78 WeakPolarHBondContact O-CG 3.48Å; W75-Q78 PolarHBondContact O-NE2 2.8Å; W75-Y195 HydrophobicContact CE3-CD1 4.31Å; W75-Y195 HydrophobicContact CE3-CG 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.07Å; W75-Y195 AromaticContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD2 4.24Å; W75-Y195 HydrophobicContact CZ3-CE1 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.55Å; W75-Y195 HydrophobicContact CZ3-CG 3.55Å; W75-N198 HydrophobicContact CB-CB 4.44Å; W75-N198 WeakPolarHBondContact CB-O 3.01Å; W75-G199 VanDerWaalsContact CB-CA 3.43Å; W75-T202 PolarHBondContact NE1-OG1 3.33Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.33Å; W75-L203 HydrophobicContact CZ2-CD1 3.75Å; W75-L203 HydrophobicContact CZ2-CD2 4.01Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å
76	V	97.1	Very high	96.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-98.1	-13.3	170.4	76	0	0	0	0	112.5	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.24Å; F57-V76 VanDerWaalsContact O-CG1 3.29Å; F57-V76 WeakPolarHBondContact O-CG1 3.4Å; P71-V76 HydrophobicContact CB-CG1 3.88Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.95Å; P74-V76 PolarHBondContact O-N 2.82Å; P74-V76 VanDerWaalsContact O-N 3.17Å; V76-Q78 PolarHBondContact O-N 3.41Å; V76-E79 HydrophobicContact CG2-CB 4.41Å; V76-E79 HydrophobicContact CG2-CG 3.73Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.46Å; V76-E79 WeakPolarHBondContact O-CG 3.19Å; V76-E79 PolarHBondContact O-N 3.38Å; V76-Y83 HydrophobicContact CG2-CE1 4.11Å; V76-W84 HydrophobicContact CG1-CH2 3.96Å; V76-W84 HydrophobicContact CG1-CZ2 4.11Å; V76-W84 HydrophobicContact CG2-CH2 4.13Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.18Å; V76-Y195 HydrophobicContact CG2-CE1 4.24Å
77	E	95.5	Very high	96.9	Very high	125 Å²	125	64.4 Å²	64.4	58%	0.584	32%	0.321	S	S	*	.	H	α-helix	trans	-64.3	-24	179.2	-62.6	-172.8	176	0	0	113.1	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.67Å; P71-E77 HydrophobicContact CG-CG 3.9Å; P74-E77 WeakPolarHBondContact O-CB 3.26Å; P74-E77 PolarHBondContact O-N 2.89Å; E77-E79 VanDerWaalsContact C-N 3.25Å; E77-E79 PolarHBondContact O-N 3.4Å
78	Q	94.7	Very high	97	Very high	125 Å²	125	63.2 Å²	63.2	58%	0.584	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-8.7	172.5	63.5	179.9	-19.2	0	0	114.5	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.48Å; W75-Q78 PolarHBondContact O-NE2 2.8Å; V76-Q78 PolarHBondContact O-N 3.41Å; Q78-N198 VanDerWaalsContact NE2-CG 3.32Å
79	E	96.6	Very high	97	Very high	12 Å²	12	61 Å²	61	6%	0.056	31%	0.309	C	S	.	.	S	Bend	trans	-68.7	132.1	174.6	-68	-63.1	164.3	0	0	110.9	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.41Å; V76-E79 HydrophobicContact CG2-CG 3.73Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.46Å; V76-E79 WeakPolarHBondContact O-CG 3.19Å; V76-E79 PolarHBondContact O-N 3.38Å; E77-E79 VanDerWaalsContact C-N 3.25Å; E77-E79 PolarHBondContact O-N 3.4Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CD2 4.33Å; E79-Y83 HydrophobicContact CB-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.2Å; E79-Y83 HydrophobicContact CG-CD2 4.31Å; E79-Y83 HydrophobicContact CG-CE1 4.35Å; E79-Y83 HydrophobicContact CG-CE2 4.43Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 VanDerWaalsContact O-CD1 3.22Å; E79-W84 PolarHBondContact O-NE1 2.83Å; E79-R194 VanDerWaalsContact CD-NH2 3.31Å; E79-R194 IonicContact OE1-CZ 2.7Å; E79-R194 IonicContact OE1-NE 2.79Å; E79-R194 PolarHBondContact OE1-NE 2.65Å; E79-R194 IonicContact OE1-NH2 3.36Å; E79-R194 PolarHBondContact OE1-NH2 2.77Å; E79-R194 VanDerWaalsContact OE1-NH2 3.1Å; E79-R194 IonicContact OE2-CZ 2.68Å; E79-R194 IonicContact OE2-NE 3.75Å; E79-R194 IonicContact OE2-NH2 3.51Å; E79-R194 PolarHBondContact OE2-NH2 2.96Å; E79-N198 PolarHBondContact OE1-ND2 3.44Å
80	G	95.8	Very high	97	Very high	33 Å²	33	64 Å²	64	34%	0.34	32%	0.321	S	S	.	.			trans	-67	167.1	-172.8	0	0	0	0	0	114.5	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.96Å; G80-E82 VanDerWaalsContact O-N 3.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.17Å; G80-Y83 PolarHBondContact O-N 3.26Å; G80-W84 PolarHBondContact O-N 3.39Å
81	P	96.8	Very high	97.1	Very high	101 Å²	101	61.5 Å²	61.5	66%	0.656	31%	0.309	S	S	*	.	H	α-helix	trans	-57	-34.8	-177.7	22.9	-33.7	0	0	0	113.1	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.46Å; P81-W84 PolarHBondContact O-N 2.91Å; P81-W84 VanDerWaalsContact O-N 3.12Å; P81-D85 PolarHBondContact O-N 3.05Å
82	E	97.4	Very high	97.1	Very high	168 Å²	168	63 Å²	63	79%	0.785	31%	0.311	S	S	*	.	H	α-helix	trans	-58.6	-34.1	176	-60.6	-178.2	179.3	0	0	113.4	G80 R86	G80-E82 PolarHBondContact O-N 2.96Å; G80-E82 VanDerWaalsContact O-N 3.15Å; E82-R86 WeakPolarHBondContact O-CB 3.44Å; E82-R86 PolarHBondContact O-N 3.45Å; E82-R86 VanDerWaalsContact O-N 3.11Å
83	Y	97.4	Very high	97.1	Very high	7 Å²	7	64.9 Å²	64.9	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-66.7	-53.6	172.7	168.9	-87.1	0	0	0	109.9	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CD2 4.33Å; E79-Y83 HydrophobicContact CB-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.2Å; E79-Y83 HydrophobicContact CG-CD2 4.31Å; E79-Y83 HydrophobicContact CG-CE1 4.35Å; E79-Y83 HydrophobicContact CG-CE2 4.43Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.17Å; G80-Y83 PolarHBondContact O-N 3.26Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.46Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.9Å; Y83-R86 PolarHBondContact O-N 3.12Å; Y83-R86 VanDerWaalsContact O-N 3.13Å; Y83-E87 HydrophobicContact CD1-CG 4.31Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.91Å; Y83-E87 HydrophobicContact CG-CG 4.37Å; Y83-E87 WeakPolarHBondContact O-CG 3.26Å; Y83-E87 PolarHBondContact O-N 3.18Å; Y83-W191 HydrophobicContact CD2-CE3 4.46Å; Y83-W191 AromaticContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CZ2 4.43Å; Y83-W191 AromaticContact CD2-CZ3 3.59Å; Y83-W191 HydrophobicContact CD2-CZ3 3.59Å; Y83-W191 HydrophobicContact CE2-CE3 4.02Å; Y83-W191 AromaticContact CE2-CH2 3.99Å; Y83-W191 HydrophobicContact CE2-CH2 3.99Å; Y83-W191 AromaticContact CE2-CZ3 3.55Å; Y83-W191 HydrophobicContact CE2-CZ3 3.55Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.3Å; Y83-Y195 PolarHBondContact OH-OH 2.78Å
84	W	98	Very high	97.3	Very high	39 Å²	39	66.9 Å²	66.9	15%	0.148	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-37.9	-176	-67.8	107.6	0	0	0	113	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.69Å; P71-W84 HydrophobicContact CB-CZ2 3.9Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.35Å; V76-W84 HydrophobicContact CG1-CH2 3.96Å; V76-W84 HydrophobicContact CG1-CZ2 4.11Å; V76-W84 HydrophobicContact CG2-CH2 4.13Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.18Å; E79-W84 VanDerWaalsContact O-CD1 3.22Å; E79-W84 PolarHBondContact O-NE1 2.83Å; G80-W84 PolarHBondContact O-N 3.39Å; P81-W84 PolarHBondContact O-N 2.91Å; P81-W84 VanDerWaalsContact O-N 3.12Å; W84-T88 WeakPolarHBondContact O-CB 3.46Å; W84-T88 PolarHBondContact O-N 2.83Å; W84-T88 PolarHBondContact O-OG1 3.48Å
85	D	98	Very high	97.4	Very high	105 Å²	105	63 Å²	63	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-66	-46.8	172.4	-80.4	-32.6	0	0	0	111.4	P81 Y83 T88 Q89	P81-D85 PolarHBondContact O-N 3.05Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.9Å; D85-T88 WeakPolarHBondContact O-CB 3.42Å; D85-T88 PolarHBondContact O-N 2.84Å; D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.44Å; D85-Q89 PolarHBondContact O-N 2.9Å
86	R	97.6	Very high	97.5	Very high	102 Å²	102	67.1 Å²	67.1	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-45.2	179.8	-175	-171.7	70.2	-150.6	-1.1	112.4	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.44Å; E82-R86 PolarHBondContact O-N 3.45Å; E82-R86 VanDerWaalsContact O-N 3.11Å; Y83-R86 PolarHBondContact O-N 3.12Å; Y83-R86 VanDerWaalsContact O-N 3.13Å; R86-Q89 PolarHBondContact O-N 3.14Å; R86-K90 PolarHBondContact O-N 2.95Å
87	E	97.6	Very high	97.5	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.019	34%	0.339	C	S	.	.	H	α-helix	trans	-68.1	-40.7	176.2	-56.5	-42.1	120.7	0	0	111	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.31Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.91Å; Y83-E87 HydrophobicContact CG-CG 4.37Å; Y83-E87 WeakPolarHBondContact O-CG 3.26Å; Y83-E87 PolarHBondContact O-N 3.18Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.73Å; E87-K90 WeakPolarHBondContact O-CB 3.48Å; E87-K90 PolarHBondContact O-N 2.94Å; E87-K90 IonicContact OE1-NZ 2.75Å; E87-K90 PolarHBondContact OE1-NZ 3.13Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 WeakPolarHBondContact OE2-CE 3.31Å; E87-K90 IonicContact OE2-NZ 3.25Å; E87-K90 PolarHBondContact OE2-NZ 3.14Å; E87-Y91 HydrophobicContact CB-CE2 3.99Å; E87-Y91 WeakPolarHBondContact O-CD2 3.36Å; E87-Y91 PolarHBondContact O-N 2.88Å
88	T	98.4	Very high	97.6	Very high	9 Å²	9	63.5 Å²	63.5	6%	0.055	31%	0.313	C	S	.	.	H	α-helix	trans	-55.7	-41.9	171.3	-66.5	0	0	0	0	112.5	R68 G69 W84 D85 K92	R68-T88 WeakPolarHBondContact CA-OG1 3.15Å; R68-T88 HydrophobicContact CB-CG2 4.27Å; G69-T88 PolarHBondContact N-OG1 2.84Å; W84-T88 WeakPolarHBondContact O-CB 3.46Å; W84-T88 PolarHBondContact O-N 2.83Å; W84-T88 PolarHBondContact O-OG1 3.48Å; D85-T88 WeakPolarHBondContact O-CB 3.42Å; D85-T88 PolarHBondContact O-N 2.84Å; T88-K92 HydrophobicContact CG2-CD 3.92Å; T88-K92 WeakPolarHBondContact O-CB 3.35Å; T88-K92 WeakPolarHBondContact O-CG 3.16Å; T88-K92 PolarHBondContact O-N 2.84Å
89	Q	98.3	Very high	97.8	Very high	103 Å²	103	61.1 Å²	61.1	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-77.5	-20	177.9	-63.9	-63.7	-6	0	0	113.5	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.44Å; D85-Q89 PolarHBondContact O-N 2.9Å; R86-Q89 PolarHBondContact O-N 3.14Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.73Å; Q89-R93 WeakPolarHBondContact O-CB 3.22Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.48Å; Q89-R93 PolarHBondContact O-N 3.24Å; Q89-R93 PolarHBondContact O-NE 2.91Å
90	K	97.7	Very high	97.8	Very high	70 Å²	70	64 Å²	64	30%	0.304	32%	0.317	S	S	.	.	H	α-helix	trans	-69.5	-55.2	165	-75.8	161.1	165.4	179.5	0	110.1	R86 E87 K92 R93 Q94	R86-K90 PolarHBondContact O-N 2.95Å; E87-K90 WeakPolarHBondContact O-CB 3.48Å; E87-K90 PolarHBondContact O-N 2.94Å; E87-K90 IonicContact OE1-NZ 2.75Å; E87-K90 PolarHBondContact OE1-NZ 3.13Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 WeakPolarHBondContact OE2-CE 3.31Å; E87-K90 IonicContact OE2-NZ 3.25Å; E87-K90 PolarHBondContact OE2-NZ 3.14Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.92Å; K90-R93 PolarHBondContact O-N 2.78Å; K90-Q94 PolarHBondContact O-N 2.9Å
91	Y	98.5	Very high	97.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56.7	-42.4	179.9	-59.9	-49.8	0	0	0	112.7	Y33 F46 A48 V58 F60 E87 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.16Å; Y33-Y91 AromaticContact CE1-CE1 3.78Å; Y33-Y91 HydrophobicContact CE1-CE1 3.78Å; Y33-Y91 AromaticContact CZ-CE1 3.84Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.43Å; F46-Y91 HydrophobicContact CE1-CD1 4.41Å; A48-Y91 HydrophobicContact CB-CD1 3.68Å; A48-Y91 HydrophobicContact CB-CE1 3.74Å; V58-Y91 WeakPolarHBondContact CG1-OH 2.95Å; V58-Y91 HydrophobicContact CG2-CE2 4.28Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.01Å; F60-Y91 HydrophobicContact CB-CD1 4.33Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.45Å; F60-Y91 AromaticContact CD2-CD2 3.68Å; F60-Y91 HydrophobicContact CD2-CD2 3.68Å; F60-Y91 AromaticContact CD2-CG 3.91Å; F60-Y91 HydrophobicContact CD2-CG 3.91Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; E87-Y91 HydrophobicContact CB-CE2 3.99Å; E87-Y91 WeakPolarHBondContact O-CD2 3.36Å; E87-Y91 PolarHBondContact O-N 2.88Å; Y91-R93 PolarHBondContact O-N 2.84Å; Y91-Q94 PolarHBondContact O-N 2.98Å; Y91-A95 WeakPolarHBondContact O-CB 3.15Å; Y91-A95 PolarHBondContact O-N 2.84Å
92	K	98.4	Very high	98	Very high	78 Å²	78	60 Å²	60	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-35.6	176.4	-75.9	173.3	180	166.4	0	113.7	F60 P67 T88 K90	F60-K92 HydrophobicContact CE2-CG 4.06Å; F60-K92 HydrophobicContact CZ-CG 3.91Å; P67-K92 WeakPolarHBondContact O-CE 3.14Å; P67-K92 PolarHBondContact O-NZ 2.95Å; T88-K92 HydrophobicContact CG2-CD 3.92Å; T88-K92 WeakPolarHBondContact O-CB 3.35Å; T88-K92 WeakPolarHBondContact O-CG 3.16Å; T88-K92 PolarHBondContact O-N 2.84Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.92Å
93	R	98.3	Very high	98	Very high	162 Å²	162	59 Å²	59	61%	0.611	28%	0.275	S	S	*	.	H	α-helix	trans	-70.6	-42.3	173.2	-76.8	-178.8	-67.5	163.9	1.4	111.2	Q89 K90 Y91 A95 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.22Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.48Å; Q89-R93 PolarHBondContact O-N 3.24Å; Q89-R93 PolarHBondContact O-NE 2.91Å; K90-R93 PolarHBondContact O-N 2.78Å; Y91-R93 PolarHBondContact O-N 2.84Å; R93-A95 PolarHBondContact O-N 2.85Å; R93-Q96 PolarHBondContact O-N 2.03Å; R93-Q96 VanDerWaalsContact O-N 3.14Å; R93-A97 PolarHBondContact O-N 3.25Å
94	Q	98.4	Very high	98	Very high	47 Å²	47	61.9 Å²	61.9	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-42.7	178.2	-165.2	62.4	34.3	0	0	112.2	Y33 F46 K90 Y91 Q96 A97 D98 W121	Y33-Q94 HydrophobicContact CD2-CG 3.78Å; Y33-Q94 HydrophobicContact CE2-CB 4.47Å; Y33-Q94 HydrophobicContact CE2-CG 3.97Å; F46-Q94 HydrophobicContact CE2-CB 4.08Å; F46-Q94 HydrophobicContact CE2-CG 3.76Å; F46-Q94 HydrophobicContact CZ-CB 3.95Å; F46-Q94 HydrophobicContact CZ-CG 3.99Å; K90-Q94 PolarHBondContact O-N 2.9Å; Y91-Q94 PolarHBondContact O-N 2.98Å; Q94-Q96 PolarHBondContact O-N 2.87Å; Q94-Q96 VanDerWaalsContact O-N 3.14Å; Q94-A97 CarbonylContact O-C 3.54Å; Q94-A97 WeakPolarHBondContact O-CA 3.5Å; Q94-A97 WeakPolarHBondContact O-CB 3.48Å; Q94-A97 PolarHBondContact O-N 3.45Å; Q94-D98 PolarHBondContact NE2-OD1 3.21Å; Q94-D98 PolarHBondContact O-N 2.8Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.42Å; Q94-W121 HydrophobicContact CG-CE3 4.34Å; Q94-W121 HydrophobicContact CG-CZ3 4.07Å
95	A	98.4	Very high	98	Very high	18 Å²	18	60.3 Å²	60.3	15%	0.149	29%	0.285	C	S	.	.	H	α-helix	trans	-56.7	-31.5	175.1	0	0	0	0	0	113.3	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.66Å; F46-A95 HydrophobicContact CD1-CB 3.9Å; F46-A95 HydrophobicContact CD2-CB 4.18Å; F46-A95 HydrophobicContact CG-CB 3.65Å; Y91-A95 WeakPolarHBondContact O-CB 3.15Å; Y91-A95 PolarHBondContact O-N 2.84Å; R93-A95 PolarHBondContact O-N 2.85Å; A95-R99 VanDerWaalsContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CB 3.35Å; A95-R99 PolarHBondContact O-N 2.83Å
96	Q	98	Very high	98	Very high	102 Å²	102	58.1 Å²	58.1	48%	0.477	27%	0.269	S	S	.	.	H	α-helix	trans	-80.6	-33.7	173	-63.5	-56.6	-45	0	0	112.9	R93 Q94 V100	R93-Q96 PolarHBondContact O-N 2.03Å; R93-Q96 VanDerWaalsContact O-N 3.14Å; Q94-Q96 PolarHBondContact O-N 2.87Å; Q94-Q96 VanDerWaalsContact O-N 3.14Å; Q96-V100 WeakPolarHBondContact O-CG2 3.44Å; Q96-V100 PolarHBondContact O-N 2.88Å
97	A	98	Very high	98	Very high	42 Å²	42	55.3 Å²	55.3	35%	0.347	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-51.1	172.5	0	0	0	0	0	111	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 3.25Å; Q94-A97 CarbonylContact O-C 3.54Å; Q94-A97 WeakPolarHBondContact O-CA 3.5Å; Q94-A97 WeakPolarHBondContact O-CB 3.48Å; Q94-A97 PolarHBondContact O-N 3.45Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.03Å; A97-V100 CarbonylContact O-C 3.59Å; A97-V100 WeakPolarHBondContact O-CA 3.41Å; A97-V100 WeakPolarHBondContact O-CB 3.38Å; A97-V100 PolarHBondContact O-N 2.84Å; A97-S101 PolarHBondContact O-N 3.08Å; A97-S101 PolarHBondContact O-OG 3.04Å
98	D	98.1	Very high	98	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.032	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-37	179.6	-69.8	1.1	0	0	0	112.3	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.61Å; F46-D98 VanDerWaalsContact CD2-OD2 3.3Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.42Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.4Å; Q94-D98 PolarHBondContact NE2-OD1 3.21Å; Q94-D98 PolarHBondContact O-N 2.8Å; D98-V100 VanDerWaalsContact C-N 3.27Å; D98-V100 PolarHBondContact O-N 2.8Å; D98-S101 PolarHBondContact O-N 3.44Å; D98-L102 WeakPolarHBondContact O-CB 3.25Å; D98-L102 VanDerWaalsContact O-CG 3.28Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.89Å; D98-L119 HydrophobicContact CB-CD2 4.15Å
99	R	97.8	Very high	98	Very high	75 Å²	75	60.5 Å²	60.5	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-58.5	-36.7	171.3	176.2	-171	-178	-145.1	2.1	112.6	E43 P44 A95 A97	E43-R99 VanDerWaalsContact CD-NE 3.28Å; E43-R99 IonicContact OE1-CZ 2.81Å; E43-R99 IonicContact OE1-NE 3.93Å; E43-R99 IonicContact OE1-NH2 3.22Å; E43-R99 PolarHBondContact OE1-NH2 3.41Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 IonicContact OE2-NE 2.76Å; E43-R99 PolarHBondContact OE2-NE 2.92Å; E43-R99 IonicContact OE2-NH2 3.7Å; E43-R99 PolarHBondContact OE2-NH2 3.32Å; P44-R99 HydrophobicContact CG-CB 4.41Å; P44-R99 HydrophobicContact CG-CG 4.26Å; A95-R99 VanDerWaalsContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CB 3.35Å; A95-R99 PolarHBondContact O-N 2.83Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.03Å
100	V	97.8	Very high	98	Very high	72 Å²	72	62.7 Å²	62.7	44%	0.436	31%	0.306	S	S	.	.	H	α-helix	trans	-77.1	-41.7	174.5	173.4	0	0	0	0	110.7	Q96 A97 D98 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.44Å; Q96-V100 PolarHBondContact O-N 2.88Å; A97-V100 CarbonylContact O-C 3.59Å; A97-V100 WeakPolarHBondContact O-CA 3.41Å; A97-V100 WeakPolarHBondContact O-CB 3.38Å; A97-V100 PolarHBondContact O-N 2.84Å; D98-V100 VanDerWaalsContact C-N 3.27Å; D98-V100 PolarHBondContact O-N 2.8Å; V100-R103 WeakPolarHBondContact O-CB 3.37Å; V100-R103 PolarHBondContact O-N 2.96Å; V100-N104 VanDerWaalsContact O-CG 3.28Å; V100-N104 PolarHBondContact O-N 2.93Å; V100-N104 PolarHBondContact O-ND2 3.37Å
101	S	98.1	Very high	97.9	Very high	43 Å²	43	62.1 Å²	62.1	30%	0.301	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-48	175.4	-61.9	0	0	0	0	112.1	A97 D98 R103 N104 L105	A97-S101 PolarHBondContact O-N 3.08Å; A97-S101 PolarHBondContact O-OG 3.04Å; D98-S101 PolarHBondContact O-N 3.44Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 3.16Å; S101-N104 WeakPolarHBondContact O-CB 3.34Å; S101-N104 PolarHBondContact O-N 3.35Å; S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 WeakPolarHBondContact O-CD1 3.5Å; S101-L105 WeakPolarHBondContact O-CG 3.5Å; S101-L105 PolarHBondContact O-N 2.88Å
102	L	98.4	Very high	97.8	Very high	9 Å²	9	66 Å²	66	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-54.8	-39.4	174.3	-77.3	167.8	0	0	0	112.5	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.88Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.84Å; D98-L102 WeakPolarHBondContact O-CB 3.25Å; D98-L102 VanDerWaalsContact O-CG 3.28Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.89Å; L102-R106 VanDerWaalsContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 3.38Å; L102-R106 VanDerWaalsContact O-N 3.16Å; L102-H117 HydrophobicContact CD2-CB 4.33Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.06Å; L102-Y142 HydrophobicContact CD2-CE2 4.03Å
103	R	97.1	Very high	97.6	Very high	145 Å²	145	68.7 Å²	68.7	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-69.4	-40.9	175.7	-172.5	-174.8	-63.1	165.9	0.9	111.9	V100 S101 G107	V100-R103 WeakPolarHBondContact O-CB 3.37Å; V100-R103 PolarHBondContact O-N 2.96Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 3.16Å; R103-G107 PolarHBondContact O-N 3.1Å
104	N	97.8	Very high	97.4	Very high	68 Å²	68	64.9 Å²	64.9	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-66.8	-47.1	178.7	-67.7	-23.2	0	0	0	111.6	V100 S101 G107 Y108	V100-N104 VanDerWaalsContact O-CG 3.28Å; V100-N104 PolarHBondContact O-N 2.93Å; V100-N104 PolarHBondContact O-ND2 3.37Å; S101-N104 WeakPolarHBondContact O-CB 3.34Å; S101-N104 PolarHBondContact O-N 3.35Å; N104-G107 CarbonylContact O-C 3.56Å; N104-G107 WeakPolarHBondContact O-CA 3.39Å; N104-G107 PolarHBondContact O-N 2.82Å; N104-G107 VanDerWaalsContact O-N 3.1Å; N104-Y108 WeakPolarHBondContact O-CD1 3.38Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 2.96Å
105	L	98.3	Very high	97.1	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-53.3	178.6	-69.7	162.9	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.47Å; S101-L105 WeakPolarHBondContact O-CD1 3.5Å; S101-L105 WeakPolarHBondContact O-CG 3.5Å; S101-L105 PolarHBondContact O-N 2.88Å; L105-G107 PolarHBondContact O-N 3.33Å; L105-G107 VanDerWaalsContact O-N 3.12Å; L105-Y108 HydrophobicContact CD2-CD2 4.48Å; L105-Y108 PolarHBondContact O-N 2.96Å; L105-Y109 HydrophobicContact CD2-CE2 4.3Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 3.09Å; L105-L119 HydrophobicContact CD1-CD1 3.99Å; L105-L119 HydrophobicContact CD1-CD2 4.25Å; L105-Y142 HydrophobicContact CB-CD1 4.25Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.87Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.65Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.08Å; L105-Y142 HydrophobicContact CD2-CG 4.47Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD1 4.16Å; L105-Y147 HydrophobicContact CD2-CD2 4.05Å; L105-Y147 HydrophobicContact CD2-CE1 3.64Å; L105-Y147 HydrophobicContact CD2-CE2 3.5Å; L105-Y147 HydrophobicContact CD2-CG 4.37Å
106	R	97.5	Very high	97.1	Very high	59 Å²	59	66.7 Å²	66.7	22%	0.223	37%	0.369	C	S	.	.	H	α-helix	trans	-52.4	-36.4	173.9	-170.7	-162.6	67.8	171.6	9.8	112.3	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 3.38Å; L102-R106 VanDerWaalsContact O-N 3.16Å; R106-N110 PolarHBondContact O-N 3.29Å; R106-Q111 HydrophobicContact CG-CB 3.73Å; R106-Q111 PolarHBondContact O-N 2.81Å; R106-E113 IonicContact CZ-OE1 2.78Å; R106-E113 IonicContact NH1-OE1 2.81Å; R106-E113 PolarHBondContact NH1-OE1 3.44Å; R106-E113 IonicContact NH2-OE1 3.84Å; R106-E113 PolarHBondContact NH2-OE1 3.33Å; R106-Y142 PolarHBondContact N-OH 2.85Å
107	G	97.4	Very high	97.1	Very high	43 Å²	43	62.6 Å²	62.6	44%	0.443	35%	0.35	S	S	.	.	H	α-helix	trans	-68.4	-49.1	173.2	0	0	0	0	0	113.5	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.1Å; N104-G107 CarbonylContact O-C 3.56Å; N104-G107 WeakPolarHBondContact O-CA 3.39Å; N104-G107 PolarHBondContact O-N 2.82Å; N104-G107 VanDerWaalsContact O-N 3.1Å; L105-G107 PolarHBondContact O-N 3.33Å; L105-G107 VanDerWaalsContact O-N 3.12Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.21Å; G107-N110 PolarHBondContact O-N 2.99Å; G107-N110 VanDerWaalsContact O-N 3.12Å
108	Y	98	Very high	97.2	Very high	52 Å²	52	62.4 Å²	62.4	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-60	-37.9	178.4	-57.8	-23.5	0	0	0	112.4	N104 L105 N110 A163 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.38Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 2.96Å; L105-Y108 HydrophobicContact CD2-CD2 4.48Å; L105-Y108 PolarHBondContact O-N 2.96Å; Y108-N110 VanDerWaalsContact C-N 3.35Å; Y108-N110 PolarHBondContact O-ND2 3.44Å; Y108-A163 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD1-CD1 3.98Å; Y108-I166 HydrophobicContact CE1-CD1 4.37Å; Y108-I166 HydrophobicContact CE1-CG2 3.85Å; Y108-I166 HydrophobicContact CE2-CB 4.29Å; Y108-I166 HydrophobicContact CE2-CG2 4.25Å; Y108-I166 HydrophobicContact CG-CD1 4.06Å; Y108-K170 PolarHBondContact OH-NZ 2.87Å
109	Y	98.1	Very high	97.2	Very high	70 Å²	70	62.6 Å²	62.6	28%	0.275	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.4	178.2	-68.7	-68.9	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.3Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 3.09Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.21Å; Y109-Q111 PolarHBondContact O-N 3.1Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.43Å; Y109-Y147 HydrophobicContact CE2-CE2 4.18Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.39Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 VanDerWaalsContact OH-CG 3.3Å; Y109-D161 PolarHBondContact OH-OD1 3.01Å; Y109-D161 PolarHBondContact OH-OD2 3.42Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 4.04Å
110	N	97.2	Very high	97.2	Very high	149 Å²	149	62.8 Å²	62.8	80%	0.797	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	34.6	-178.1	-55.2	-86.1	0	0	0	113.8	R106 G107 Y108	R106-N110 PolarHBondContact O-N 3.29Å; G107-N110 PolarHBondContact O-N 2.99Å; G107-N110 VanDerWaalsContact O-N 3.12Å; Y108-N110 VanDerWaalsContact C-N 3.35Å; Y108-N110 PolarHBondContact O-ND2 3.44Å
111	Q	97.5	Very high	97.3	Very high	58 Å²	58	60.6 Å²	60.6	27%	0.271	33%	0.333	S	S	.	.			trans	-81.8	152.9	-176.7	-70.8	163.6	-47.2	0	0	112.5	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.73Å; R106-Q111 PolarHBondContact O-N 2.81Å; Y109-Q111 PolarHBondContact O-N 3.1Å; Q111-H117 PolarHBondContact NE2-CE1 3.39Å; Q111-Y142 PolarHBondContact OE1-OH 3.4Å; Q111-D143 PolarHBondContact NE2-OD2 3.1Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.09Å
112	S	95.8	Very high	97.3	Very high	82 Å²	82	59.6 Å²	59.6	57%	0.573	32%	0.324	S	S	*	.			trans	-67.7	144.9	-178.7	179.6	0	0	0	0	112.8	A114 G115	S112-A114 PolarHBondContact O-N 3.09Å; S112-A114 PolarHBondContact OG-N 2.62Å; S112-G115 PolarHBondContact O-N 2.87Å
113	E	93.2	Very high	97.3	Very high	135 Å²	135	60 Å²	60	63%	0.631	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.4	174.3	-59.7	-139.3	102.6	0	0	114	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.4Å; P39-E113 VanDerWaalsContact CG-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.16Å; R106-E113 IonicContact CZ-OE1 2.78Å; R106-E113 IonicContact NH1-OE1 2.81Å; R106-E113 PolarHBondContact NH1-OE1 3.44Å; R106-E113 IonicContact NH2-OE1 3.84Å; R106-E113 PolarHBondContact NH2-OE1 3.33Å; E113-G115 VanDerWaalsContact C-N 3.27Å
114	A	93.7	Very high	97.4	Very high	82 Å²	82	53.1 Å²	53.1	68%	0.678	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.1	176	0	0	0	0	0	113.6	S112	S112-A114 PolarHBondContact O-N 3.09Å; S112-A114 PolarHBondContact OG-N 2.62Å
115	G	94.2	Very high	97.4	Very high	21 Å²	21	49.9 Å²	49.9	22%	0.216	28%	0.282	C	S	.	.			trans	-73.8	129	179.6	0	0	0	0	0	113.2	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 3.07Å; P39-G115 WeakPolarHBondContact CG-O 3.28Å; S112-G115 PolarHBondContact O-N 2.87Å; E113-G115 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-CD2 3.09Å
116	S	97.5	Very high	97.4	Very high	81 Å²	81	50.7 Å²	50.7	57%	0.566	29%	0.286	S	S	*	.			trans	-76.7	126.8	160.5	-171.1	0	0	0	0	107.8	S37	S37-S116 PolarHBondContact O-OG 3.19Å
117	H	98.4	Very high	97.4	Very high	17 Å²	17	48.1 Å²	48.1	8%	0.079	28%	0.277	C	S	.	.			trans	-132.2	148.7	-175.9	-66.4	-73.2	0	0	0	110.9	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.34Å; S37-H117 PolarHBondContact N-O 2.77Å; S37-H117 PolarHBondContact OG-N 3.4Å; L102-H117 HydrophobicContact CD2-CB 4.33Å; Q111-H117 PolarHBondContact NE2-CE1 3.39Å; G115-H117 PolarHBondContact O-CD2 3.09Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 WeakPolarHBondContact CB-OH 3.2Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 PolarHBondContact ND1-OH 3.22Å; H117-D143 WeakPolarHBondContact CA-OD1 3.24Å; H117-D143 WeakPolarHBondContact CB-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 3.39Å; H117-D143 IonicContact CG-OD1 2.68Å; H117-D143 IonicContact CG-OD2 2.88Å; H117-D143 IonicContact ND1-OD1 3.11Å; H117-D143 PolarHBondContact ND1-OD1 3.4Å; H117-D143 IonicContact ND1-OD2 3.08Å; H117-D143 PolarHBondContact ND1-OD2 3.41Å
118	T	98.8	Very high	97.2	Very high	37 Å²	37	46.5 Å²	46.5	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.3	-174.8	-63.9	0	0	0	0	110.3	T34 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.12Å; V36-T118 HydrophobicContact CG2-CG2 4.35Å; T118-Q120 HydrophobicContact CG2-CG 3.92Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.4Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.37Å; T118-D143 PolarHBondContact N-OD1 3.45Å; T118-D143 PolarHBondContact O-N 2.64Å
119	L	98.8	Very high	96.7	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.6	166.7	173.5	60	0	0	0	108	T34 A35 D98 L102 L105	T34-L119 CarbonylContact C-O 3.58Å; T34-L119 WeakPolarHBondContact CA-O 3.45Å; A35-L119 HydrophobicContact CB-CB 4.49Å; A35-L119 PolarHBondContact N-O 2.84Å; A35-L119 PolarHBondContact O-N 3.11Å; D98-L119 HydrophobicContact CB-CD2 4.15Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.06Å; L105-L119 HydrophobicContact CD1-CD1 3.99Å; L105-L119 HydrophobicContact CD1-CD2 4.25Å
120	Q	98.8	Very high	96.3	Very high	80 Å²	80	49.5 Å²	49.5	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.4	173.7	-74	166.7	-92.8	0	0	109	Y33 T34 T118 S140 A141	Y33-Q120 WeakPolarHBondContact O-CA 3.28Å; T34-Q120 HydrophobicContact CG2-CG 3.96Å; T118-Q120 HydrophobicContact CG2-CG 3.92Å; Q120-S140 CarbonylContact O-C 3.51Å; Q120-S140 WeakPolarHBondContact O-CA 3.18Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.88Å; Q120-A141 PolarHBondContact O-N 3.08Å
121	W	98.7	Very high	95.9	Very high	25 Å²	25	43.4 Å²	43.4	10%	0.095	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.5	178.7	-178.5	35.3	0	0	0	109.6	Y33 Q94 Y123 D138 S140 W180	Y33-W121 AromaticContact CD2-CE3 3.53Å; Y33-W121 HydrophobicContact CD2-CE3 3.53Å; Y33-W121 AromaticContact CD2-CZ3 3.8Å; Y33-W121 HydrophobicContact CD2-CZ3 3.8Å; Y33-W121 HydrophobicContact CE2-CE3 4.04Å; Y33-W121 AromaticContact CE2-CZ3 3.82Å; Y33-W121 HydrophobicContact CE2-CZ3 3.82Å; Y33-W121 HydrophobicContact CG-CE3 4.49Å; Y33-W121 PolarHBondContact N-O 2.91Å; Y33-W121 PolarHBondContact O-N 3.01Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.42Å; Q94-W121 HydrophobicContact CG-CE3 4.34Å; Q94-W121 HydrophobicContact CG-CZ3 4.07Å; W121-Y123 HydrophobicContact CD2-CD1 4.02Å; W121-Y123 AromaticContact CE2-CD1 3.66Å; W121-Y123 HydrophobicContact CE3-CD1 4.25Å; W121-Y123 HydrophobicContact CE3-CE1 4.35Å; W121-Y123 AromaticContact CH2-CD1 3.76Å; W121-Y123 HydrophobicContact CH2-CD1 3.76Å; W121-Y123 AromaticContact CH2-CE1 3.82Å; W121-Y123 HydrophobicContact CH2-CE1 3.82Å; W121-Y123 AromaticContact CZ2-CD1 3.54Å; W121-Y123 HydrophobicContact CZ2-CD1 3.54Å; W121-Y123 HydrophobicContact CZ2-CE1 4.1Å; W121-Y123 HydrophobicContact CZ2-CG 4.22Å; W121-Y123 HydrophobicContact CZ3-CD1 4.1Å; W121-Y123 AromaticContact CZ3-CE1 3.95Å; W121-Y123 HydrophobicContact CZ3-CE1 3.95Å; W121-D138 PolarHBondContact NE1-OD1 2.88Å; W121-S140 VanDerWaalsContact CD1-OG 3.29Å; W121-W180 AromaticContact CH2-CH2 3.46Å; W121-W180 HydrophobicContact CH2-CH2 3.46Å; W121-W180 VanDerWaalsContact CH2-CH2 3.46Å; W121-W180 AromaticContact CH2-CZ2 3.46Å; W121-W180 HydrophobicContact CH2-CZ2 3.46Å; W121-W180 VanDerWaalsContact CH2-CZ2 3.46Å; W121-W180 AromaticContact CZ2-CH2 3.39Å; W121-W180 HydrophobicContact CZ2-CH2 3.39Å; W121-W180 AromaticContact CZ2-CZ2 3.31Å; W121-W180 HydrophobicContact CZ2-CZ2 3.31Å; W121-W180 HydrophobicContact CZ2-CZ3 4.25Å
122	M	98.7	Very high	95.7	Very high	23 Å²	23	48.6 Å²	48.6	11%	0.113	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.1	174.6	-170	-77.1	-72.3	0	0	108.9	R30 Y31 F32 Y137 Q139	R30-M122 HydrophobicContact CB-SD 4.5Å; Y31-M122 WeakPolarHBondContact O-CA 3.42Å; F32-M122 HydrophobicContact CD1-CB 4.06Å; F32-M122 HydrophobicContact CD1-CG 3.5Å; F32-M122 HydrophobicContact CE1-CB 4.33Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CG-CG 4.28Å; F32-M122 HydrophobicContact CZ-CG 4.1Å; M122-Y137 HydrophobicContact CE-CD1 3.88Å; M122-Y137 HydrophobicContact CE-CG 4.06Å; M122-Q139 HydrophobicContact CB-CG 4.21Å; M122-Q139 HydrophobicContact CE-CG 3.9Å; M122-Q139 PolarHBondContact N-O 2.75Å; M122-Q139 PolarHBondContact O-N 2.72Å
123	Y	98.8	Very high	95.7	Very high	18 Å²	18	47.1 Å²	47.1	7%	0.071	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.1	170.7	71.6	-97.8	0	0	0	110.4	Y31 Y33 W121 Y137 W180 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.16Å; Y31-Y123 AromaticContact CD2-CE2 3.42Å; Y31-Y123 HydrophobicContact CD2-CE2 3.42Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.42Å; Y31-Y123 AromaticContact CD2-CZ 3.77Å; Y31-Y123 HydrophobicContact CE2-CE2 4.12Å; Y31-Y123 HydrophobicContact CG-CE1 4.46Å; Y31-Y123 AromaticContact CG-CE2 3.93Å; Y31-Y123 HydrophobicContact CG-CE2 3.93Å; Y31-Y123 AromaticContact CG-CZ 3.78Å; Y31-Y123 PolarHBondContact N-O 3.41Å; Y31-Y123 PolarHBondContact O-N 3.14Å; Y33-Y123 HydrophobicContact CD2-CE1 4.3Å; Y33-Y123 HydrophobicContact CE1-CE1 4.48Å; Y33-Y123 AromaticContact CE2-CE1 3.66Å; Y33-Y123 HydrophobicContact CE2-CE1 3.66Å; Y33-Y123 AromaticContact CZ-CE1 3.77Å; Y33-Y123 PolarHBondContact OH-OH 2.94Å; W121-Y123 HydrophobicContact CD2-CD1 4.02Å; W121-Y123 AromaticContact CE2-CD1 3.66Å; W121-Y123 HydrophobicContact CE3-CD1 4.25Å; W121-Y123 HydrophobicContact CE3-CE1 4.35Å; W121-Y123 AromaticContact CH2-CD1 3.76Å; W121-Y123 HydrophobicContact CH2-CD1 3.76Å; W121-Y123 AromaticContact CH2-CE1 3.82Å; W121-Y123 HydrophobicContact CH2-CE1 3.82Å; W121-Y123 AromaticContact CZ2-CD1 3.54Å; W121-Y123 HydrophobicContact CZ2-CD1 3.54Å; W121-Y123 HydrophobicContact CZ2-CE1 4.1Å; W121-Y123 HydrophobicContact CZ2-CG 4.22Å; W121-Y123 HydrophobicContact CZ3-CD1 4.1Å; W121-Y123 AromaticContact CZ3-CE1 3.95Å; W121-Y123 HydrophobicContact CZ3-CE1 3.95Å; Y123-Y137 WeakPolarHBondContact CA-O 3.5Å; Y123-Y137 VanDerWaalsContact CB-O 3.29Å; Y123-Y137 WeakPolarHBondContact CB-O 3.38Å; Y123-W180 HydrophobicContact CD1-CH2 4.46Å; Y123-W180 HydrophobicContact CD2-CZ3 4.02Å; Y123-W180 HydrophobicContact CE2-CZ3 4.48Å; Y123-W180 HydrophobicContact CG-CH2 4.39Å; Y123-W180 HydrophobicContact CG-CZ3 4.1Å; Y123-Y183 AromaticContact CD2-CE1 3.83Å; Y123-Y183 HydrophobicContact CD2-CE1 3.83Å; Y123-Y183 AromaticContact CE2-CE1 3.72Å; Y123-Y183 HydrophobicContact CE2-CE1 3.72Å; Y123-Y183 AromaticContact CE2-CZ 3.97Å
124	G	98.6	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-179.2	-176.6	0	0	0	0	0	114.4	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.46Å; G124-G136 CarbonylContact O-C 3.58Å; G124-Y137 PolarHBondContact N-O 2.93Å; G124-Y137 PolarHBondContact O-N 2.77Å; G124-L184 WeakPolarHBondContact O-CD2 3.33Å
125	C	98.5	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.3	-179.8	52.3	0	0	0	0	111	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.55Å; S28-C125 WeakPolarHBondContact CA-O 3.34Å; M29-C125 PolarHBondContact N-O 2.89Å; M29-C125 PolarHBondContact O-N 3.4Å; C125-L133 HydrophobicContact CB-CD1 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.32Å; C125-C188 HydrophobicContact CB-CB 3.84Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 2.99Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.21Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.22Å
126	D	98	Very high	96.2	Very high	23 Å²	23	46.2 Å²	46.2	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.8	172.6	-59.3	-6.9	0	0	0	109	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.47Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å; R30-D126 IonicContact CZ-OD1 3.49Å; R30-D126 VanDerWaalsContact CZ-OD1 3.22Å; R30-D126 IonicContact CZ-OD2 3.1Å; R30-D126 IonicContact NE-OD1 3.55Å; R30-D126 PolarHBondContact NE-OD1 2.93Å; R30-D126 IonicContact NH2-OD1 3.82Å; R30-D126 PolarHBondContact NH2-OD1 3.38Å; R30-D126 IonicContact NH2-OD2 3.59Å; R30-D126 PolarHBondContact NH2-OD2 2.87Å; D126-L134 PolarHBondContact O-N 2.73Å; D126-R135 HydrophobicContact CB-CB 4.48Å; D126-R135 PolarHBondContact N-O 2.96Å; D126-R135 PolarHBondContact O-N 2.75Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.49Å; D126-Y137 PolarHBondContact OD2-OH 3.24Å
127	L	96.6	Very high	96.2	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.8	176.6	-53.5	-178.1	0	0	0	110.6	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.47Å; S26-L127 WeakPolarHBondContact CB-O 3.37Å; H27-L127 PolarHBondContact N-O 2.93Å; H27-L127 PolarHBondContact O-N 2.84Å; L127-R132 CarbonylContact C-O 3.55Å; L127-R132 WeakPolarHBondContact CA-O 3.16Å; L127-V189 HydrophobicContact CD2-CB 4.2Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L127-L192 HydrophobicContact CD1-CB 4.37Å; L127-L192 HydrophobicContact CD1-CD2 3.74Å; L127-L192 HydrophobicContact CD1-CG 3.78Å; L127-L192 HydrophobicContact CD2-CD2 4.45Å; L127-L192 HydrophobicContact CG-CD2 3.61Å; L127-L192 HydrophobicContact CG-CG 4.24Å; L127-R193 HydrophobicContact CD1-CG 3.96Å
128	G	93.1	Very high	96.2	Very high	10 Å²	10	43.5 Å²	43.5	10%	0.103	22%	0.219	C	C	.	.			trans	-73.5	174.5	165.3	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.91Å; G128-D130 VanDerWaalsContact O-N 3.14Å; G128-G131 WeakPolarHBondContact O-CA 3.35Å; G128-G131 PolarHBondContact O-N 2.94Å; G128-R132 PolarHBondContact N-O 3.36Å
129	P	88.4	Confident	96.2	Very high	91 Å²	91	45.1 Å²	45.1	59%	0.591	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	-179.4	-22.1	33	0	0	0	114.6	A24 G131	A24-P129 HydrophobicContact CB-CB 4.32Å; A24-P129 HydrophobicContact CB-CG 3.5Å; A24-P129 VanDerWaalsContact CB-CG 3.5Å; A24-P129 WeakPolarHBondContact O-CG 3.37Å; P129-G131 PolarHBondContact O-N 3.03Å
130	D	88.5	Confident	96.2	Very high	93 Å²	93	45.2 Å²	45.2	50%	0.497	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	6	171.9	75.1	-14.4	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.91Å; G128-D130 VanDerWaalsContact O-N 3.14Å; D130-R132 PolarHBondContact O-N 3.24Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 WeakPolarHBondContact OD1-CG 3.34Å; D130-R132 PolarHBondContact OD1-N 3.32Å; D130-R132 WeakPolarHBondContact OD2-CD 3.37Å; D130-R132 WeakPolarHBondContact OD2-CG 3.34Å; D130-R132 IonicContact OD2-CZ 2.73Å; D130-R132 VanDerWaalsContact OD2-CZ 3.25Å; D130-R132 IonicContact OD2-NE 3.22Å; D130-R132 PolarHBondContact OD2-NE 3.24Å; D130-R132 IonicContact OD2-NH1 3.55Å; D130-R132 PolarHBondContact OD2-NH1 3.4Å
131	G	88.6	Confident	96.2	Very high	21 Å²	21	42.3 Å²	42.3	22%	0.216	22%	0.215	C	C	.	.	S	Bend	trans	70.6	9.8	-179.2	0	0	0	0	0	114.6	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.35Å; G128-G131 PolarHBondContact O-N 2.94Å; P129-G131 PolarHBondContact O-N 3.03Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.81Å; G131-R193 PolarHBondContact O-NH2 2.76Å
132	R	93.7	Very high	96.2	Very high	167 Å²	167	41.6 Å²	41.6	63%	0.63	21%	0.212	S	C	*	.	S	Bend	trans	-89.3	156.1	177.4	-60.2	-174.9	-174.6	134.1	-8.1	111.6	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.55Å; L127-R132 WeakPolarHBondContact CA-O 3.16Å; G128-R132 PolarHBondContact N-O 3.36Å; D130-R132 PolarHBondContact O-N 3.24Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 WeakPolarHBondContact OD1-CG 3.34Å; D130-R132 PolarHBondContact OD1-N 3.32Å; D130-R132 WeakPolarHBondContact OD2-CD 3.37Å; D130-R132 WeakPolarHBondContact OD2-CG 3.34Å; D130-R132 IonicContact OD2-CZ 2.73Å; D130-R132 VanDerWaalsContact OD2-CZ 3.25Å; D130-R132 IonicContact OD2-NE 3.22Å; D130-R132 PolarHBondContact OD2-NE 3.24Å; D130-R132 IonicContact OD2-NH1 3.55Å; D130-R132 PolarHBondContact OD2-NH1 3.4Å; R132-L134 PolarHBondContact O-N 3.48Å; R132-L134 VanDerWaalsContact O-N 3.13Å
133	L	96.8	Very high	96.2	Very high	51 Å²	51	43.5 Å²	43.5	27%	0.267	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	117	173.9	-174.1	73.7	0	0	0	110.3	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.52Å; L133-R135 VanDerWaalsContact CD1-O 3.27Å; L133-R135 WeakPolarHBondContact CD1-O 3.47Å; L133-L154 HydrophobicContact CD2-CD1 4.09Å; L133-E185 HydrophobicContact CD2-CB 4.5Å; L133-E185 HydrophobicContact CD2-CG 3.8Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.17Å
134	L	96.3	Very high	96.2	Very high	121 Å²	121	45.5 Å²	45.5	63%	0.634	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	-43.6	169.6	179.1	63.3	0	0	0	110.3	D126 R132	D126-L134 PolarHBondContact O-N 2.73Å; R132-L134 PolarHBondContact O-N 3.48Å; R132-L134 VanDerWaalsContact O-N 3.13Å
135	R	96.8	Very high	96.2	Very high	91 Å²	91	53.1 Å²	53.1	34%	0.343	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	143	-177.8	-171.3	165.4	174.3	128.6	9.4	111.7	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.32Å; D126-R135 HydrophobicContact CB-CB 4.48Å; D126-R135 PolarHBondContact N-O 2.96Å; D126-R135 PolarHBondContact O-N 2.75Å; L133-R135 VanDerWaalsContact CD1-O 3.27Å; L133-R135 WeakPolarHBondContact CD1-O 3.47Å; R135-Y137 HydrophobicContact CB-CE2 4.1Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.29Å; R135-Y137 WeakPolarHBondContact CD-OH 3.29Å; R135-Y137 HydrophobicContact CG-CD2 4.31Å; R135-Y137 HydrophobicContact CG-CE1 4.45Å; R135-Y137 HydrophobicContact CG-CE2 3.7Å; R135-Y137 PolarHBondContact NE-OH 2.68Å; R135-E152 VanDerWaalsContact CZ-CD 3.49Å; R135-E152 IonicContact CZ-OE1 2.73Å; R135-E152 IonicContact NH1-OE1 2.74Å; R135-E152 PolarHBondContact NH1-OE1 3.12Å; R135-E152 IonicContact NH1-OE2 3.1Å; R135-E152 IonicContact NH2-OE1 2.94Å; R135-E152 PolarHBondContact NH2-OE1 3.2Å
136	G	98.1	Very high	96.2	Very high	7 Å²	7	58.7 Å²	58.7	7%	0.072	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	153.8	169.2	0	0	0	0	0	111.2	G124	G124-G136 CarbonylContact O-C 3.58Å
137	Y	98.5	Very high	96.2	Very high	41 Å²	41	58 Å²	58	16%	0.161	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138	-178.5	-61.2	-98.1	0	0	0	111.1	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.03Å; M122-Y137 HydrophobicContact CE-CD1 3.88Å; M122-Y137 HydrophobicContact CE-CG 4.06Å; Y123-Y137 WeakPolarHBondContact CA-O 3.5Å; Y123-Y137 VanDerWaalsContact CB-O 3.29Å; Y123-Y137 WeakPolarHBondContact CB-O 3.38Å; G124-Y137 PolarHBondContact N-O 2.93Å; G124-Y137 PolarHBondContact O-N 2.77Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.49Å; D126-Y137 PolarHBondContact OD2-OH 3.24Å; R135-Y137 HydrophobicContact CB-CE2 4.1Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.29Å; R135-Y137 WeakPolarHBondContact CD-OH 3.29Å; R135-Y137 HydrophobicContact CG-CD2 4.31Å; R135-Y137 HydrophobicContact CG-CE1 4.45Å; R135-Y137 HydrophobicContact CG-CE2 3.7Å; R135-Y137 PolarHBondContact NE-OH 2.68Å
138	D	98.5	Very high	96.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	112.9	160.1	172.4	-1.8	0	0	0	106.3	W121 A149 L150 W157 W180	W121-D138 PolarHBondContact NE1-OD1 2.88Å; D138-A149 CarbonylContact O-C 3.59Å; D138-A149 WeakPolarHBondContact O-CA 3.43Å; D138-L150 HydrophobicContact CB-CB 3.92Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 PolarHBondContact O-N 3.34Å; D138-W157 WeakPolarHBondContact OD2-CH2 3.41Å; D138-W180 HydrophobicContact CB-CD2 4.49Å; D138-W180 PolarHBondContact OD2-NE1 3.29Å
139	Q	98.6	Very high	96.6	Very high	70 Å²	70	58.9 Å²	58.9	33%	0.327	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	129	-179.1	59.3	-173.8	94.3	0	0	112.3	M122 I148 A149	M122-Q139 HydrophobicContact CB-CG 4.21Å; M122-Q139 HydrophobicContact CE-CG 3.9Å; M122-Q139 PolarHBondContact N-O 2.75Å; M122-Q139 PolarHBondContact O-N 2.72Å; Q139-I148 WeakPolarHBondContact CA-O 3.28Å; Q139-A149 HydrophobicContact CB-CB 3.77Å
140	S	98.6	Very high	97.1	Very high	13 Å²	13	55.2 Å²	55.2	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.6	178.7	-64.9	0	0	0	0	111.5	Q120 W121 Y147 I148	Q120-S140 CarbonylContact O-C 3.51Å; Q120-S140 WeakPolarHBondContact O-CA 3.18Å; W121-S140 VanDerWaalsContact CD1-OG 3.29Å; S140-Y147 WeakPolarHBondContact O-CA 3.46Å; S140-Y147 WeakPolarHBondContact O-CB 3.26Å; S140-Y147 PolarHBondContact O-N 3.46Å; S140-I148 PolarHBondContact N-O 3.28Å; S140-I148 PolarHBondContact O-N 3.29Å
141	A	98.8	Very high	97.6	Very high	18 Å²	18	52.9 Å²	52.9	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.1	175.3	0	0	0	0	0	110.8	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.88Å; Q120-A141 PolarHBondContact O-N 3.08Å; A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.33Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.15Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	58.5 Å²	58.5	4%	0.043	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.5	-179.9	-173.2	-122.1	0	0	0	111.2	L102 L105 R106 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.03Å; L105-Y142 HydrophobicContact CB-CD1 4.25Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.87Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.65Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.08Å; L105-Y142 HydrophobicContact CD2-CG 4.47Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; R106-Y142 PolarHBondContact N-OH 2.85Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Q111-Y142 PolarHBondContact OE1-OH 3.4Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 WeakPolarHBondContact CB-OH 3.2Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 PolarHBondContact ND1-OH 3.22Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.4Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.37Å; Y142-G144 PolarHBondContact O-N 3.09Å; Y142-G144 VanDerWaalsContact O-N 3.11Å; Y142-K145 PolarHBondContact N-O 3.43Å; Y142-K145 PolarHBondContact O-N 2.68Å
143	D	98.4	Very high	98.2	Very high	62 Å²	62	54 Å²	54	33%	0.332	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	38.7	-174.7	-66.1	-19.7	0	0	0	113.3	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 3.1Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.09Å; H117-D143 WeakPolarHBondContact CA-OD1 3.24Å; H117-D143 WeakPolarHBondContact CB-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 3.39Å; H117-D143 IonicContact CG-OD1 2.68Å; H117-D143 IonicContact CG-OD2 2.88Å; H117-D143 IonicContact ND1-OD1 3.11Å; H117-D143 PolarHBondContact ND1-OD1 3.4Å; H117-D143 IonicContact ND1-OD2 3.08Å; H117-D143 PolarHBondContact ND1-OD2 3.41Å; T118-D143 PolarHBondContact N-OD1 3.45Å; T118-D143 PolarHBondContact O-N 2.64Å
144	G	97.6	Very high	98.2	Very high	60 Å²	60	52.1 Å²	52.1	62%	0.619	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	15.3	178.4	0	0	0	0	0	115.7	Y142	Y142-G144 PolarHBondContact O-N 3.09Å; Y142-G144 VanDerWaalsContact O-N 3.11Å
145	K	98.6	Very high	98.3	Very high	160 Å²	160	54.2 Å²	54.2	70%	0.696	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.5	177.7	-60.6	177.3	-176.8	176.6	0	111	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.33Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.15Å; Y142-K145 PolarHBondContact N-O 3.43Å; Y142-K145 PolarHBondContact O-N 2.68Å; K145-Y147 PolarHBondContact O-N 3.16Å
146	D	98.7	Very high	98.4	Very high	117 Å²	117	52 Å²	52	63%	0.626	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	137.5	173.6	-60.5	-54.8	0	0	0	111.3	A160	D146-A160 WeakPolarHBondContact O-CB 3.35Å
147	Y	98.8	Very high	98.4	Very high	8 Å²	8	52.1 Å²	52.1	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-61.6	-179.9	178.3	-112.1	0	0	0	110.4	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.16Å; L105-Y147 HydrophobicContact CD2-CD2 4.05Å; L105-Y147 HydrophobicContact CD2-CE1 3.64Å; L105-Y147 HydrophobicContact CD2-CE2 3.5Å; L105-Y147 HydrophobicContact CD2-CG 4.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.43Å; Y109-Y147 HydrophobicContact CE2-CE2 4.18Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.39Å; S140-Y147 WeakPolarHBondContact O-CA 3.46Å; S140-Y147 WeakPolarHBondContact O-CB 3.26Å; S140-Y147 PolarHBondContact O-N 3.46Å; K145-Y147 PolarHBondContact O-N 3.16Å; Y147-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 PolarHBondContact O-N 2.81Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.87Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.37Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; Y147-T167 HydrophobicContact CE1-CG2 4.28Å; Y147-T167 WeakPolarHBondContact OH-CB 3.48Å; Y147-T167 PolarHBondContact OH-OG1 3.46Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	54 Å²	54	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	141.3	178	-164.4	170.7	0	0	0	110.4	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.28Å; S140-I148 PolarHBondContact N-O 3.28Å; S140-I148 PolarHBondContact O-N 3.29Å; I148-W157 HydrophobicContact CD1-CB 4.21Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; I148-T158 WeakPolarHBondContact CA-O 3.32Å; I148-T167 HydrophobicContact CD1-CG2 4.33Å; I148-Q168 HydrophobicContact CD1-CB 3.89Å; I148-W171 HydrophobicContact CD1-CE3 3.93Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.37Å; I148-W171 HydrophobicContact CG2-CH2 3.98Å; I148-W171 HydrophobicContact CG2-CZ3 3.6Å
149	A	98.8	Very high	98.4	Very high	30 Å²	30	55 Å²	55	25%	0.248	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.9	177.3	0	0	0	0	0	111.6	D138 Q139 W157 T158	D138-A149 CarbonylContact O-C 3.59Å; D138-A149 WeakPolarHBondContact O-CA 3.43Å; Q139-A149 HydrophobicContact CB-CB 3.77Å; A149-W157 CarbonylContact O-C 3.58Å; A149-W157 WeakPolarHBondContact O-CA 3.32Å; A149-T158 PolarHBondContact N-O 3.45Å; A149-T158 PolarHBondContact O-N 3.12Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131	167.9	-173.5	67.8	0	0	0	108.4	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 3.92Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 PolarHBondContact O-N 3.34Å; L150-L154 HydrophobicContact CD2-CB 4.44Å; L150-L154 HydrophobicContact CD2-CD2 3.71Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.11Å; L150-W157 HydrophobicContact CB-CZ3 3.62Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.2Å; L150-W157 HydrophobicContact CD1-CH2 3.95Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.11Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; L150-A177 HydrophobicContact CD1-CB 3.82Å; L150-W180 HydrophobicContact CD2-CB 4.07Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	56.5 Å²	56.5	24%	0.235	31%	0.314	C	S	.	.			trans	-76.3	164.5	-179.8	-66.1	-28	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.36Å; N151-L154 WeakPolarHBondContact O-CA 3.5Å; N151-L154 PolarHBondContact O-N 2.62Å; N151-S156 WeakPolarHBondContact CB-O 3.22Å; N151-S156 PolarHBondContact N-O 3.09Å; N151-S156 PolarHBondContact ND2-O 3.26Å; N151-S156 PolarHBondContact ND2-OG 2.9Å; N151-T158 PolarHBondContact ND2-OG1 2.89Å; N151-T158 WeakPolarHBondContact OD1-CB 3.42Å; N151-T158 PolarHBondContact OD1-N 2.77Å; N151-T158 PolarHBondContact OD1-OG1 3.41Å
152	E	97.5	Very high	98.4	Very high	139 Å²	139	61 Å²	61	65%	0.65	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.6	-178.8	-62	177	-164.4	0	0	114	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.49Å; R135-E152 IonicContact CZ-OE1 2.73Å; R135-E152 IonicContact NH1-OE1 2.74Å; R135-E152 PolarHBondContact NH1-OE1 3.12Å; R135-E152 IonicContact NH1-OE2 3.1Å; R135-E152 IonicContact NH2-OE1 2.94Å; R135-E152 PolarHBondContact NH2-OE1 3.2Å; E152-L154 PolarHBondContact O-N 3.25Å
153	D	97.5	Very high	98.3	Very high	72 Å²	72	60.7 Å²	60.7	39%	0.385	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.3	172.3	71.5	-3.3	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.36Å; D153-R155 HydrophobicContact CB-CB 4.5Å; D153-R155 WeakPolarHBondContact O-CD 3.46Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.1Å; D153-R155 PolarHBondContact O-N 3.34Å; D153-R155 PolarHBondContact OD1-N 2.95Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.09Å; D153-S156 PolarHBondContact OD1-OG 3.16Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-N 3.43Å; D153-S156 PolarHBondContact OD2-OG 3.48Å
154	L	98.1	Very high	98.3	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.058	32%	0.324	C	S	.	.	S	Bend	trans	51.7	32.5	-172.6	-54.6	-178.8	0	0	0	113.2	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.09Å; L150-L154 HydrophobicContact CD2-CB 4.44Å; L150-L154 HydrophobicContact CD2-CD2 3.71Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 WeakPolarHBondContact O-CA 3.5Å; N151-L154 PolarHBondContact O-N 2.62Å; E152-L154 PolarHBondContact O-N 3.25Å; L154-R181 HydrophobicContact CB-CB 4Å; L154-R181 HydrophobicContact CB-CG 3.76Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-R181 WeakPolarHBondContact O-CD 3.28Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 4.01Å; L154-E185 HydrophobicContact CD1-CG 4.27Å
155	R	97.7	Very high	98.4	Very high	166 Å²	166	58.2 Å²	58.2	63%	0.626	31%	0.31	S	S	*	.	S	Bend	trans	-139.4	-33.1	-173.1	-68.7	158.3	-174.8	-95.9	4.1	113.6	D153	D153-R155 HydrophobicContact CB-CB 4.5Å; D153-R155 WeakPolarHBondContact O-CD 3.46Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.1Å; D153-R155 PolarHBondContact O-N 3.34Å; D153-R155 PolarHBondContact OD1-N 2.95Å
156	S	98.1	Very high	98.4	Very high	43 Å²	43	53.4 Å²	53.4	30%	0.301	29%	0.292	S	S	.	.			trans	-115.8	160.6	-177.9	62.2	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.22Å; N151-S156 PolarHBondContact N-O 3.09Å; N151-S156 PolarHBondContact ND2-O 3.26Å; N151-S156 PolarHBondContact ND2-OG 2.9Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.09Å; D153-S156 PolarHBondContact OD1-OG 3.16Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-N 3.43Å; D153-S156 PolarHBondContact OD2-OG 3.48Å
157	W	98.7	Very high	98.4	Very high	11 Å²	11	48.7 Å²	48.7	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142	-177.5	-59.8	94.2	0	0	0	111.1	D138 I148 A149 L150 Q168 W171 E176 A177	D138-W157 WeakPolarHBondContact OD2-CH2 3.41Å; I148-W157 HydrophobicContact CD1-CB 4.21Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; A149-W157 CarbonylContact O-C 3.58Å; A149-W157 WeakPolarHBondContact O-CA 3.32Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.11Å; L150-W157 HydrophobicContact CB-CZ3 3.62Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.2Å; L150-W157 HydrophobicContact CD1-CH2 3.95Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.11Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.99Å; W157-W171 AromaticContact CD2-CE3 3.98Å; W157-W171 HydrophobicContact CD2-CE3 3.98Å; W157-W171 AromaticContact CE2-CE3 3.89Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.93Å; W157-W171 HydrophobicContact CE3-CZ3 3.93Å; W157-W171 AromaticContact CH2-CE3 3.54Å; W157-W171 HydrophobicContact CH2-CE3 3.54Å; W157-W171 AromaticContact CH2-CZ3 3.63Å; W157-W171 HydrophobicContact CH2-CZ3 3.63Å; W157-W171 HydrophobicContact CZ2-CD2 4.47Å; W157-W171 AromaticContact CZ2-CE3 3.69Å; W157-W171 HydrophobicContact CZ2-CE3 3.69Å; W157-W171 HydrophobicContact CZ2-CZ3 4.27Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.43Å; W157-W171 HydrophobicContact CZ3-CZ3 3.43Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.43Å; W157-E176 HydrophobicContact CZ2-CB 4.17Å; W157-A177 HydrophobicContact CZ2-CB 4.12Å
158	T	98.7	Very high	98.3	Very high	80 Å²	80	50.1 Å²	50.1	49%	0.491	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.4	164.3	-67.8	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.32Å; A149-T158 PolarHBondContact N-O 3.45Å; A149-T158 PolarHBondContact O-N 3.12Å; N151-T158 PolarHBondContact ND2-OG1 2.89Å; N151-T158 WeakPolarHBondContact OD1-CB 3.42Å; N151-T158 PolarHBondContact OD1-N 2.77Å; N151-T158 PolarHBondContact OD1-OG1 3.41Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	56.9 Å²	56.9	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.3	176	0	0	0	0	0	110.2	D161 A164 Q165 Q168	A159-D161 PolarHBondContact O-N 3.47Å; A159-A164 HydrophobicContact CB-CB 3.65Å; A159-Q165 HydrophobicContact CB-CG 4.1Å; A159-Q168 HydrophobicContact CB-CB 4.33Å; A159-Q168 VanDerWaalsContact CB-OE1 3.26Å
160	A	98.5	Very high	98.3	Very high	61 Å²	61	60.9 Å²	60.9	50%	0.504	31%	0.311	S	S	.	.	S	Bend	trans	-70.5	-30.6	-174.8	0	0	0	0	0	113.8	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.35Å; Y147-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 PolarHBondContact O-N 2.81Å
161	D	98.3	Very high	98.3	Very high	53 Å²	53	63.2 Å²	63.2	28%	0.283	32%	0.319	S	S	.	.	S	Bend	trans	-150.2	-174.4	-178.3	70.8	29	0	0	0	114	Y109 A159 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 VanDerWaalsContact OH-CG 3.3Å; Y109-D161 PolarHBondContact OH-OD1 3.01Å; Y109-D161 PolarHBondContact OH-OD2 3.42Å; A159-D161 PolarHBondContact O-N 3.47Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.68Å; D161-A163 WeakPolarHBondContact OD1-CA 3.45Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 2.75Å; D161-A164 WeakPolarHBondContact O-CB 3.37Å; D161-A164 PolarHBondContact O-N 2.96Å; D161-A164 PolarHBondContact OD1-N 2.85Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 3.34Å
162	T	98.2	Very high	98.3	Very high	111 Å²	111	65.5 Å²	65.5	68%	0.681	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.8	179.9	49	0	0	0	0	114.8
163	A	98.1	Very high	98.3	Very high	6 Å²	6	63 Å²	63	5%	0.05	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-34	174	0	0	0	0	0	111.2	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.47Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 4.04Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.87Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.68Å; D161-A163 WeakPolarHBondContact OD1-CA 3.45Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 2.75Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; A163-I166 WeakPolarHBondContact O-CB 3.39Å; A163-I166 PolarHBondContact O-N 2.9Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-39.2	169.3	0	0	0	0	0	112.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.37Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; A159-A164 HydrophobicContact CB-CB 3.65Å; D161-A164 WeakPolarHBondContact O-CB 3.37Å; D161-A164 PolarHBondContact O-N 2.96Å; D161-A164 PolarHBondContact OD1-N 2.85Å; A164-I166 PolarHBondContact O-N 2.82Å; A164-I166 VanDerWaalsContact O-N 3.12Å; A164-T167 WeakPolarHBondContact O-CA 3.4Å; A164-T167 PolarHBondContact O-N 3.01Å; A164-Q168 PolarHBondContact O-N 2.86Å
165	Q	98.7	Very high	98.3	Very high	69 Å²	69	68.8 Å²	68.8	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-23	173.4	-72.4	175.2	18.8	0	0	114.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.1Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 3.34Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; Q165-R169 WeakPolarHBondContact O-CD 3.46Å; Q165-R169 VanDerWaalsContact O-CG 3.25Å; Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 2.89Å
166	I	98.4	Very high	98.3	Very high	60 Å²	60	63.3 Å²	63.3	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-70.8	-38.3	173.8	-56.5	172.6	0	0	0	110.3	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 3.98Å; Y108-I166 HydrophobicContact CE1-CD1 4.37Å; Y108-I166 HydrophobicContact CE1-CG2 3.85Å; Y108-I166 HydrophobicContact CE2-CB 4.29Å; Y108-I166 HydrophobicContact CE2-CG2 4.25Å; Y108-I166 HydrophobicContact CG-CD1 4.06Å; A163-I166 WeakPolarHBondContact O-CB 3.39Å; A163-I166 PolarHBondContact O-N 2.9Å; A164-I166 PolarHBondContact O-N 2.82Å; A164-I166 VanDerWaalsContact O-N 3.12Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å
167	T	98.3	Very high	98.4	Very high	17 Å²	17	61.7 Å²	61.7	10%	0.104	33%	0.329	C	S	.	.	H	α-helix	trans	-75.8	-43.3	177.1	-64.8	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.28Å; Y147-T167 WeakPolarHBondContact OH-CB 3.48Å; Y147-T167 PolarHBondContact OH-OG1 3.46Å; I148-T167 HydrophobicContact CD1-CG2 4.33Å; A164-T167 WeakPolarHBondContact O-CA 3.4Å; A164-T167 PolarHBondContact O-N 3.01Å; T167-R169 PolarHBondContact O-N 2.68Å; T167-K170 WeakPolarHBondContact O-CB 3.24Å; T167-K170 PolarHBondContact O-N 3.38Å; T167-W171 HydrophobicContact CG2-CD2 3.71Å; T167-W171 HydrophobicContact CG2-CE3 4.19Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.87Å; T167-W171 HydrophobicContact CG2-CZ3 4.48Å; T167-W171 PolarHBondContact O-N 3.43Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	66.6 Å²	66.6	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-48.9	-55.4	172.8	175.1	173	10	0	0	112	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.89Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.99Å; A159-Q168 HydrophobicContact CB-CB 4.33Å; A159-Q168 VanDerWaalsContact CB-OE1 3.26Å; A164-Q168 PolarHBondContact O-N 2.86Å; Q168-K170 PolarHBondContact O-N 2.89Å; Q168-W171 PolarHBondContact O-N 2.83Å; Q168-W171 VanDerWaalsContact O-N 3.07Å; Q168-E172 VanDerWaalsContact CG-CD 3.45Å; Q168-E172 HydrophobicContact CG-CG 4.2Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.24Å; Q168-E172 PolarHBondContact NE2-OE1 2.99Å; Q168-E172 WeakPolarHBondContact O-CB 3.45Å; Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 2.68Å
169	R	98.6	Very high	98.3	Very high	144 Å²	144	68.3 Å²	68.3	54%	0.543	36%	0.355	S	S	.	.	H	α-helix	trans	-60.1	-30.6	-179.4	-68.5	168.6	-167.9	125.4	9	113.2	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CD 3.46Å; Q165-R169 VanDerWaalsContact O-CG 3.25Å; Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 2.89Å; T167-R169 PolarHBondContact O-N 2.68Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 3.29Å
170	K	98.1	Very high	98.3	Very high	115 Å²	115	69.6 Å²	69.6	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-73.5	-44.5	175	-71.1	172.2	178.7	-177.6	0	111.1	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.87Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å; T167-K170 WeakPolarHBondContact O-CB 3.24Å; T167-K170 PolarHBondContact O-N 3.38Å; Q168-K170 PolarHBondContact O-N 2.89Å; K170-A173 PolarHBondContact O-N 2.98Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.05Å
171	W	98.2	Very high	98.3	Very high	64 Å²	64	70.5 Å²	70.5	24%	0.242	35%	0.345	C	S	.	.	H	α-helix	trans	-70.6	-33.7	-179.6	-71.9	-1	0	0	0	113	I148 W157 T167 Q168 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.93Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.37Å; I148-W171 HydrophobicContact CG2-CH2 3.98Å; I148-W171 HydrophobicContact CG2-CZ3 3.6Å; W157-W171 AromaticContact CD2-CE3 3.98Å; W157-W171 HydrophobicContact CD2-CE3 3.98Å; W157-W171 AromaticContact CE2-CE3 3.89Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.93Å; W157-W171 HydrophobicContact CE3-CZ3 3.93Å; W157-W171 AromaticContact CH2-CE3 3.54Å; W157-W171 HydrophobicContact CH2-CE3 3.54Å; W157-W171 AromaticContact CH2-CZ3 3.63Å; W157-W171 HydrophobicContact CH2-CZ3 3.63Å; W157-W171 HydrophobicContact CZ2-CD2 4.47Å; W157-W171 AromaticContact CZ2-CE3 3.69Å; W157-W171 HydrophobicContact CZ2-CE3 3.69Å; W157-W171 HydrophobicContact CZ2-CZ3 4.27Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.43Å; W157-W171 HydrophobicContact CZ3-CZ3 3.43Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.43Å; T167-W171 HydrophobicContact CG2-CD2 3.71Å; T167-W171 HydrophobicContact CG2-CE3 4.19Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.87Å; T167-W171 HydrophobicContact CG2-CZ3 4.48Å; T167-W171 PolarHBondContact O-N 3.43Å; Q168-W171 PolarHBondContact O-N 2.83Å; Q168-W171 VanDerWaalsContact O-N 3.07Å; W171-R175 WeakPolarHBondContact O-CA 3.41Å; W171-R175 PolarHBondContact O-N 2.89Å; W171-E176 HydrophobicContact CB-CB 4.07Å; W171-E176 HydrophobicContact CB-CG 3.8Å; W171-E176 HydrophobicContact CG-CB 4.24Å; W171-E176 HydrophobicContact CG-CG 3.77Å; W171-E176 PolarHBondContact O-N 2.93Å
172	E	98.4	Very high	98.3	Very high	92 Å²	92	71 Å²	71	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-46.5	169.8	-71.3	168.3	166.1	0	0	111.2	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.45Å; Q168-E172 HydrophobicContact CG-CG 4.2Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.24Å; Q168-E172 PolarHBondContact NE2-OE1 2.99Å; Q168-E172 WeakPolarHBondContact O-CB 3.45Å; Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 2.68Å; E172-A174 VanDerWaalsContact C-N 3.32Å; E172-A174 PolarHBondContact O-N 2.88Å; E172-R175 PolarHBondContact O-N 3.44Å
173	A	98.4	Very high	98.3	Very high	87 Å²	87	68 Å²	68	72%	0.719	33%	0.333	S	S	*	.	H	α-helix	trans	-65.5	-33.1	177.1	0	0	0	0	0	113.3	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 3.29Å; K170-A173 PolarHBondContact O-N 2.98Å
174	A	98.1	Very high	98.3	Very high	51 Å²	51	67.7 Å²	67.7	42%	0.421	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.8	175.3	0	0	0	0	0	114.1	K170 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.05Å; E172-A174 VanDerWaalsContact C-N 3.32Å; E172-A174 PolarHBondContact O-N 2.88Å; A174-E176 VanDerWaalsContact C-N 3.3Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 3.11Å
175	R	97.8	Very high	98.3	Very high	153 Å²	153	71.9 Å²	71.9	58%	0.577	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	36.7	-176.5	-59.1	171.5	170.4	-125.8	7	114.3	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.41Å; W171-R175 PolarHBondContact O-N 2.89Å; E172-R175 PolarHBondContact O-N 3.44Å; R175-A177 PolarHBondContact O-N 2.83Å; R175-A177 VanDerWaalsContact O-N 3.13Å; R175-E178 HydrophobicContact CB-CB 4.42Å; R175-E178 HydrophobicContact CB-CG 4.15Å; R175-E178 WeakPolarHBondContact CD-OE1 3.39Å; R175-E178 IonicContact CZ-OE1 2.72Å; R175-E178 IonicContact NE-OE1 3.39Å; R175-E178 IonicContact NH1-OE1 3.86Å; R175-E178 PolarHBondContact NH1-OE1 2.98Å; R175-E178 IonicContact NH1-OE2 3.72Å; R175-E178 PolarHBondContact NH1-OE2 2.95Å; R175-E178 WeakPolarHBondContact O-CB 3.37Å; R175-E178 PolarHBondContact O-N 3.36Å
176	E	97.9	Very high	98.2	Very high	50 Å²	50	69.8 Å²	69.8	23%	0.234	35%	0.347	C	S	.	.	H	α-helix	trans	-57.5	-32.6	-177.2	-57.3	-68.8	-174.7	0	0	112.3	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.17Å; W171-E176 HydrophobicContact CB-CB 4.07Å; W171-E176 HydrophobicContact CB-CG 3.8Å; W171-E176 HydrophobicContact CG-CB 4.24Å; W171-E176 HydrophobicContact CG-CG 3.77Å; W171-E176 PolarHBondContact O-N 2.93Å; A174-E176 VanDerWaalsContact C-N 3.3Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 3.11Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 3.24Å; E176-Q179 WeakPolarHBondContact O-CB 3.43Å; E176-Q179 PolarHBondContact O-N 3Å; E176-Q179 VanDerWaalsContact O-N 3.07Å; E176-Q179 PolarHBondContact OE2-NE2 3.26Å; E176-W180 VanDerWaalsContact O-CD1 3.3Å; E176-W180 PolarHBondContact O-N 3.32Å
177	A	98.4	Very high	98.2	Very high	9 Å²	9	69.3 Å²	69.3	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-31	175.4	0	0	0	0	0	113.3	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.82Å; W157-A177 HydrophobicContact CZ2-CB 4.12Å; R175-A177 PolarHBondContact O-N 2.83Å; R175-A177 VanDerWaalsContact O-N 3.13Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 3.44Å
178	E	98.2	Very high	98.2	Very high	114 Å²	114	68.5 Å²	68.5	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-36.6	174.5	-64.5	179.5	-169.2	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CB 4.42Å; R175-E178 HydrophobicContact CB-CG 4.15Å; R175-E178 WeakPolarHBondContact CD-OE1 3.39Å; R175-E178 IonicContact CZ-OE1 2.72Å; R175-E178 IonicContact NE-OE1 3.39Å; R175-E178 IonicContact NH1-OE1 3.86Å; R175-E178 PolarHBondContact NH1-OE1 2.98Å; R175-E178 IonicContact NH1-OE2 3.72Å; R175-E178 PolarHBondContact NH1-OE2 2.95Å; R175-E178 WeakPolarHBondContact O-CB 3.37Å; R175-E178 PolarHBondContact O-N 3.36Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 3.24Å; E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 3.1Å
179	Q	97.8	Very high	98.2	Very high	117 Å²	117	67 Å²	67	55%	0.547	34%	0.336	S	S	.	.	H	α-helix	trans	-71.9	-45.5	176.1	-60.8	179.2	66.8	0	0	111.4	E176 A177 A182 Y183	E176-Q179 WeakPolarHBondContact O-CB 3.43Å; E176-Q179 PolarHBondContact O-N 3Å; E176-Q179 VanDerWaalsContact O-N 3.07Å; E176-Q179 PolarHBondContact OE2-NE2 3.26Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; Q179-A182 PolarHBondContact O-N 2.83Å; Q179-Y183 PolarHBondContact O-N 2.79Å
180	W	98.3	Very high	98.2	Very high	49 Å²	49	65.9 Å²	65.9	19%	0.186	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-43.3	177.5	-81.1	107.3	0	0	0	112.4	W121 Y123 D138 L150 E176 A182 Y183 L184	W121-W180 AromaticContact CH2-CH2 3.46Å; W121-W180 HydrophobicContact CH2-CH2 3.46Å; W121-W180 VanDerWaalsContact CH2-CH2 3.46Å; W121-W180 AromaticContact CH2-CZ2 3.46Å; W121-W180 HydrophobicContact CH2-CZ2 3.46Å; W121-W180 VanDerWaalsContact CH2-CZ2 3.46Å; W121-W180 AromaticContact CZ2-CH2 3.39Å; W121-W180 HydrophobicContact CZ2-CH2 3.39Å; W121-W180 AromaticContact CZ2-CZ2 3.31Å; W121-W180 HydrophobicContact CZ2-CZ2 3.31Å; W121-W180 HydrophobicContact CZ2-CZ3 4.25Å; Y123-W180 HydrophobicContact CD1-CH2 4.46Å; Y123-W180 HydrophobicContact CD2-CZ3 4.02Å; Y123-W180 HydrophobicContact CE2-CZ3 4.48Å; Y123-W180 HydrophobicContact CG-CH2 4.39Å; Y123-W180 HydrophobicContact CG-CZ3 4.1Å; D138-W180 HydrophobicContact CB-CD2 4.49Å; D138-W180 PolarHBondContact OD2-NE1 3.29Å; L150-W180 HydrophobicContact CD2-CB 4.07Å; E176-W180 VanDerWaalsContact O-CD1 3.3Å; E176-W180 PolarHBondContact O-N 3.32Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.36Å; W180-Y183 AromaticContact CE3-CD1 3.94Å; W180-Y183 HydrophobicContact CE3-CD1 3.94Å; W180-Y183 AromaticContact CZ3-CD1 3.61Å; W180-Y183 HydrophobicContact CZ3-CD1 3.61Å; W180-Y183 HydrophobicContact CZ3-CE1 4.1Å; W180-Y183 HydrophobicContact CZ3-CG 4.28Å; W180-Y183 PolarHBondContact O-N 2.91Å; W180-L184 VanDerWaalsContact O-CB 3.31Å; W180-L184 WeakPolarHBondContact O-CB 3.4Å; W180-L184 WeakPolarHBondContact O-CG 3.49Å; W180-L184 PolarHBondContact O-N 2.95Å
181	R	98.4	Very high	98.2	Very high	80 Å²	80	62.6 Å²	62.6	30%	0.302	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-41.8	173.6	-172.1	168.2	175.5	-101.6	-19.9	112.3	L154 A177 L184 E185	L154-R181 HydrophobicContact CB-CB 4Å; L154-R181 HydrophobicContact CB-CG 3.76Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-R181 WeakPolarHBondContact O-CD 3.28Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 3.44Å; R181-L184 PolarHBondContact O-N 2.89Å; R181-E185 HydrophobicContact CG-CG 4.04Å; R181-E185 IonicContact CZ-OE1 2.7Å; R181-E185 IonicContact CZ-OE2 2.92Å; R181-E185 IonicContact NE-OE1 3.59Å; R181-E185 PolarHBondContact NE-OE1 2.78Å; R181-E185 IonicContact NE-OE2 3.09Å; R181-E185 PolarHBondContact NE-OE2 3.13Å; R181-E185 IonicContact NH1-OE2 3.43Å; R181-E185 IonicContact NH2-OE1 2.78Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 3.96Å; R181-E185 PolarHBondContact NH2-OE2 2.82Å; R181-E185 VanDerWaalsContact O-CB 3.31Å; R181-E185 WeakPolarHBondContact O-CB 3.4Å; R181-E185 WeakPolarHBondContact O-CG 2.99Å; R181-E185 PolarHBondContact O-N 3.02Å
182	A	98.4	Very high	98.2	Very high	65 Å²	65	59.6 Å²	59.6	54%	0.537	31%	0.31	S	S	.	.	H	α-helix	trans	-64.8	-38	175.9	0	0	0	0	0	113.1	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 3.1Å; Q179-A182 PolarHBondContact O-N 2.83Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.36Å; A182-G186 PolarHBondContact O-N 3.15Å
183	Y	98.4	Very high	98.1	Very high	46 Å²	46	61.1 Å²	61.1	18%	0.18	31%	0.312	C	S	.	.	I	π-helix	trans	-66.4	-45.2	172.6	173.7	-100.9	0	0	0	112	Y123 Q179 W180 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.83Å; Y123-Y183 HydrophobicContact CD2-CE1 3.83Å; Y123-Y183 AromaticContact CE2-CE1 3.72Å; Y123-Y183 HydrophobicContact CE2-CE1 3.72Å; Y123-Y183 AromaticContact CE2-CZ 3.97Å; Q179-Y183 PolarHBondContact O-N 2.79Å; W180-Y183 AromaticContact CE3-CD1 3.94Å; W180-Y183 HydrophobicContact CE3-CD1 3.94Å; W180-Y183 AromaticContact CZ3-CD1 3.61Å; W180-Y183 HydrophobicContact CZ3-CD1 3.61Å; W180-Y183 HydrophobicContact CZ3-CE1 4.1Å; W180-Y183 HydrophobicContact CZ3-CG 4.28Å; W180-Y183 PolarHBondContact O-N 2.91Å; Y183-T187 HydrophobicContact CD2-CG2 3.97Å; Y183-T187 HydrophobicContact CE2-CG2 3.73Å; Y183-T187 PolarHBondContact O-N 3.29Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.22Å; Y183-C188 PolarHBondContact O-N 3.2Å
184	L	98.6	Very high	98	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-73.9	-40	-174.1	-69	171.9	0	0	0	113.1	G124 L150 L154 W180 R181 C188 V189	G124-L184 WeakPolarHBondContact O-CD2 3.33Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 4.01Å; W180-L184 VanDerWaalsContact O-CB 3.31Å; W180-L184 WeakPolarHBondContact O-CB 3.4Å; W180-L184 WeakPolarHBondContact O-CG 3.49Å; W180-L184 PolarHBondContact O-N 2.95Å; R181-L184 PolarHBondContact O-N 2.89Å; L184-C188 HydrophobicContact CD2-CB 4.44Å; L184-V189 WeakPolarHBondContact O-CG2 3.35Å
185	E	98	Very high	98	Very high	88 Å²	88	60.1 Å²	60.1	41%	0.411	28%	0.278	S	S	.	.	I	π-helix	trans	-77.7	-25.3	176.8	-66.9	-177.7	163.8	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.5Å; L133-E185 HydrophobicContact CD2-CG 3.8Å; L154-E185 HydrophobicContact CD1-CG 4.27Å; R181-E185 HydrophobicContact CG-CG 4.04Å; R181-E185 IonicContact CZ-OE1 2.7Å; R181-E185 IonicContact CZ-OE2 2.92Å; R181-E185 IonicContact NE-OE1 3.59Å; R181-E185 PolarHBondContact NE-OE1 2.78Å; R181-E185 IonicContact NE-OE2 3.09Å; R181-E185 PolarHBondContact NE-OE2 3.13Å; R181-E185 IonicContact NH1-OE2 3.43Å; R181-E185 IonicContact NH2-OE1 2.78Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 3.96Å; R181-E185 PolarHBondContact NH2-OE2 2.82Å; R181-E185 VanDerWaalsContact O-CB 3.31Å; R181-E185 WeakPolarHBondContact O-CB 3.4Å; R181-E185 WeakPolarHBondContact O-CG 2.99Å; R181-E185 PolarHBondContact O-N 3.02Å
186	G	98	Very high	97.9	Very high	25 Å²	25	53.5 Å²	53.5	26%	0.258	25%	0.254	S	S	.	.	I	π-helix	trans	-108.1	-92.5	-179.4	0	0	0	0	0	112.9	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.15Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.02Å; G186-C188 VanDerWaalsContact O-N 3.14Å; G186-V189 WeakPolarHBondContact O-CB 3.43Å; G186-V189 PolarHBondContact O-N 2.92Å; G186-E190 WeakPolarHBondContact O-CG 3.39Å; G186-E190 PolarHBondContact O-N 3.44Å
187	T	98	Very high	97.8	Very high	51 Å²	51	56.6 Å²	56.6	31%	0.313	27%	0.269	S	S	.	.	I	π-helix	trans	-54.7	-37.2	-168.6	-56.7	0	0	0	0	114	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.97Å; Y183-T187 HydrophobicContact CE2-CG2 3.73Å; Y183-T187 PolarHBondContact O-N 3.29Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-E190 PolarHBondContact O-N 2.76Å; T187-W191 VanDerWaalsContact O-CD1 3.26Å; T187-W191 PolarHBondContact O-N 3.39Å
188	C	98.4	Very high	97.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.278	C	S	.	.	I	π-helix	trans	-63.8	-48	177.9	-167.2	0	0	0	0	111.3	M29 C125 Y183 L184 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.42Å; M29-C188 WeakPolarHBondContact CE-SG 3.4Å; C125-C188 HydrophobicContact CB-CB 3.84Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 2.99Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.21Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.22Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.22Å; Y183-C188 PolarHBondContact O-N 3.2Å; L184-C188 HydrophobicContact CD2-CB 4.44Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.02Å; G186-C188 VanDerWaalsContact O-N 3.14Å; C188-E190 PolarHBondContact O-N 3.3Å; C188-W191 PolarHBondContact O-N 3.49Å; C188-L192 WeakPolarHBondContact O-CB 3.49Å; C188-L192 PolarHBondContact O-N 2.86Å
189	V	98.3	Very high	97.6	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-43.6	175.7	179.8	0	0	0	0	111.4	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD2-CB 4.2Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.17Å; L184-V189 WeakPolarHBondContact O-CG2 3.35Å; G186-V189 WeakPolarHBondContact O-CB 3.43Å; G186-V189 PolarHBondContact O-N 2.92Å; V189-R193 VanDerWaalsContact CG1-CZ 3.47Å; V189-R193 WeakPolarHBondContact O-CB 3.45Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.83Å
190	E	98.1	Very high	97.4	Very high	121 Å²	121	52 Å²	52	57%	0.565	25%	0.247	S	C	*	.	H	α-helix	trans	-62.6	-47.7	-180	-69.1	173.4	156	0	0	112.5	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.39Å; G186-E190 PolarHBondContact O-N 3.44Å; T187-E190 PolarHBondContact O-N 2.76Å; C188-E190 PolarHBondContact O-N 3.3Å; E190-R194 WeakPolarHBondContact O-CB 3.35Å; E190-R194 PolarHBondContact O-N 2.84Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	98.1	Very high	97	Very high	46 Å²	46	58.3 Å²	58.3	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-71.9	-38.1	-179.7	-80	91.3	0	0	0	112.6	M29 Y83 T187 C188 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.15Å; M29-W191 HydrophobicContact SD-CB 4.44Å; Y83-W191 HydrophobicContact CD2-CE3 4.46Å; Y83-W191 AromaticContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CZ2 4.43Å; Y83-W191 AromaticContact CD2-CZ3 3.59Å; Y83-W191 HydrophobicContact CD2-CZ3 3.59Å; Y83-W191 HydrophobicContact CE2-CE3 4.02Å; Y83-W191 AromaticContact CE2-CH2 3.99Å; Y83-W191 HydrophobicContact CE2-CH2 3.99Å; Y83-W191 AromaticContact CE2-CZ3 3.55Å; Y83-W191 HydrophobicContact CE2-CZ3 3.55Å; T187-W191 VanDerWaalsContact O-CD1 3.26Å; T187-W191 PolarHBondContact O-N 3.39Å; C188-W191 PolarHBondContact O-N 3.49Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 2.94Å; W191-Y195 HydrophobicContact CB-CE2 4.23Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE1 3.59Å; W191-Y195 AromaticContact CE3-CZ 3.64Å; W191-Y195 HydrophobicContact CZ3-CE1 4.07Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 PolarHBondContact O-N 3.05Å
192	L	98.2	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-46.8	174.4	174	50.5	0	0	0	111.5	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.45Å; M29-L192 HydrophobicContact CB-CB 3.98Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.93Å; M29-L192 HydrophobicContact CB-CG 4.2Å; M29-L192 HydrophobicContact CE-CB 4.27Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; L127-L192 HydrophobicContact CD1-CB 4.37Å; L127-L192 HydrophobicContact CD1-CD2 3.74Å; L127-L192 HydrophobicContact CD1-CG 3.78Å; L127-L192 HydrophobicContact CD2-CD2 4.45Å; L127-L192 HydrophobicContact CG-CD2 3.61Å; L127-L192 HydrophobicContact CG-CG 4.24Å; C188-L192 WeakPolarHBondContact O-CB 3.49Å; C188-L192 PolarHBondContact O-N 2.86Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 3.1Å; L192-Y195 PolarHBondContact O-N 3.17Å; L192-L196 HydrophobicContact CD1-CD1 3.73Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.96Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.84Å
193	R	96.8	Very high	96.2	Very high	124 Å²	124	54.1 Å²	54.1	47%	0.468	26%	0.255	S	S	.	.	H	α-helix	trans	-58.1	-41.2	173.8	-72.6	173.2	-177.8	169.9	1.3	112.6	L127 G131 V189 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.96Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.81Å; G131-R193 PolarHBondContact O-NH2 2.76Å; V189-R193 VanDerWaalsContact CG1-CZ 3.47Å; V189-R193 WeakPolarHBondContact O-CB 3.45Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.83Å; R193-L196 PolarHBondContact O-N 3.24Å; R193-E197 PolarHBondContact O-N 3.18Å; R193-E197 VanDerWaalsContact O-N 3.16Å
194	R	97	Very high	95.7	Very high	117 Å²	117	56.2 Å²	56.2	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-46.1	175.5	178.7	179.8	173.9	100.3	-6.9	111.6	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.31Å; E79-R194 IonicContact OE1-CZ 2.7Å; E79-R194 IonicContact OE1-NE 2.79Å; E79-R194 PolarHBondContact OE1-NE 2.65Å; E79-R194 IonicContact OE1-NH2 3.36Å; E79-R194 PolarHBondContact OE1-NH2 2.77Å; E79-R194 VanDerWaalsContact OE1-NH2 3.1Å; E79-R194 IonicContact OE2-CZ 2.68Å; E79-R194 IonicContact OE2-NE 3.75Å; E79-R194 IonicContact OE2-NH2 3.51Å; E79-R194 PolarHBondContact OE2-NH2 2.96Å; E190-R194 WeakPolarHBondContact O-CB 3.35Å; E190-R194 PolarHBondContact O-N 2.84Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 2.94Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 3.1Å; R194-E197 PolarHBondContact O-N 3.22Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.34Å; R194-N198 PolarHBondContact O-N 3.42Å; R194-N198 PolarHBondContact O-OD1 3.27Å
195	Y	97.4	Very high	95.3	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-38.6	177.8	-62.7	-28.8	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.81Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.75Å; V52-Y195 HydrophobicContact CG2-CG 4.33Å; F57-Y195 HydrophobicContact CD2-CE2 4.4Å; F57-Y195 HydrophobicContact CE1-CE2 4.27Å; F57-Y195 HydrophobicContact CE2-CD2 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CE2-CE2 3.67Å; F57-Y195 AromaticContact CE2-CZ 3.78Å; F57-Y195 HydrophobicContact CZ-CD2 4.29Å; F57-Y195 AromaticContact CZ-CE2 3.6Å; F57-Y195 HydrophobicContact CZ-CE2 3.6Å; W75-Y195 HydrophobicContact CE3-CD1 4.31Å; W75-Y195 HydrophobicContact CE3-CG 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.07Å; W75-Y195 AromaticContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD2 4.24Å; W75-Y195 HydrophobicContact CZ3-CE1 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.55Å; W75-Y195 HydrophobicContact CZ3-CG 3.55Å; V76-Y195 HydrophobicContact CG2-CE1 4.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.3Å; Y83-Y195 PolarHBondContact OH-OH 2.78Å; W191-Y195 HydrophobicContact CB-CE2 4.23Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE1 3.59Å; W191-Y195 AromaticContact CE3-CZ 3.64Å; W191-Y195 HydrophobicContact CZ3-CE1 4.07Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 PolarHBondContact O-N 3.05Å; L192-Y195 PolarHBondContact O-N 3.17Å; Y195-E197 PolarHBondContact O-N 3.27Å; Y195-N198 PolarHBondContact O-N 3.4Å; Y195-G199 WeakPolarHBondContact O-CA 3.2Å; Y195-G199 PolarHBondContact O-N 3.25Å; Y195-L203 WeakPolarHBondContact O-CD1 3.28Å
196	L	95.8	Very high	95	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-36.6	176.7	-72.3	166.9	0	0	0	112.9	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.61Å; H27-L196 HydrophobicContact CB-CD2 3.9Å; H27-L196 HydrophobicContact CB-CG 4.35Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.39Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L192-L196 HydrophobicContact CD1-CD1 3.73Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.96Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.84Å; R193-L196 PolarHBondContact O-N 3.24Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.3Å; L196-K200 PolarHBondContact O-N 2.9Å; L196-K200 VanDerWaalsContact O-N 3.16Å; L196-L203 HydrophobicContact CD2-CB 4.2Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; L196-Q204 PolarHBondContact O-NE2 3.18Å
197	E	95.7	Very high	94.8	Very high	115 Å²	115	59.7 Å²	59.7	54%	0.537	28%	0.279	S	S	.	.	H	α-helix	trans	-77.6	-42.2	173.9	-166.6	63.2	-162.3	0	0	111.5	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.18Å; R193-E197 VanDerWaalsContact O-N 3.16Å; R194-E197 PolarHBondContact O-N 3.22Å; Y195-E197 PolarHBondContact O-N 3.27Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 2.78Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 2.81Å; E197-K200 IonicContact OE1-NZ 3.48Å; E197-K200 PolarHBondContact OE1-NZ 2.92Å; E197-K200 IonicContact OE2-NZ 3.55Å; E197-K200 PolarHBondContact OE2-NZ 2.85Å
198	N	96.4	Very high	94.7	Very high	50 Å²	50	62.5 Å²	62.5	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-57.9	-41.6	175.2	-76.7	5.6	0	0	0	112.6	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.44Å; W75-N198 WeakPolarHBondContact CB-O 3.01Å; Q78-N198 VanDerWaalsContact NE2-CG 3.32Å; E79-N198 PolarHBondContact OE1-ND2 3.44Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.34Å; R194-N198 PolarHBondContact O-N 3.42Å; R194-N198 PolarHBondContact O-OD1 3.27Å; Y195-N198 PolarHBondContact O-N 3.4Å
199	G	95.3	Very high	94.6	Very high	3 Å²	3	62.7 Å²	62.7	3%	0.031	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	15.3	-173.7	0	0	0	0	0	114.3	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.43Å; Y195-G199 WeakPolarHBondContact O-CA 3.2Å; Y195-G199 PolarHBondContact O-N 3.25Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 2.78Å; G199-E201 VanDerWaalsContact C-N 3.33Å; G199-E201 PolarHBondContact O-N 2.82Å; G199-E201 VanDerWaalsContact O-N 3.17Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.35Å; G199-T202 PolarHBondContact O-N 3.37Å; G199-T202 PolarHBondContact O-OG1 3.29Å; G199-L203 PolarHBondContact O-N 2.8Å
200	K	93.1	Very high	94.6	Very high	91 Å²	91	68.1 Å²	68.1	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-44.6	-49.8	-170.5	-170.6	169.9	-155.7	146.4	0	114.7	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.3Å; L196-K200 PolarHBondContact O-N 2.9Å; L196-K200 VanDerWaalsContact O-N 3.16Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 2.81Å; E197-K200 IonicContact OE1-NZ 3.48Å; E197-K200 PolarHBondContact OE1-NZ 2.92Å; E197-K200 IonicContact OE2-NZ 3.55Å; E197-K200 PolarHBondContact OE2-NZ 2.85Å; K200-T202 PolarHBondContact O-N 2.94Å; K200-T202 VanDerWaalsContact O-N 3.13Å; K200-Q204 HydrophobicContact CG-CB 4.47Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.46Å; K200-Q204 PolarHBondContact O-N 2.88Å
201	E	90.3	Very high	94.6	Very high	181 Å²	181	64 Å²	64	85%	0.846	30%	0.296	S	S	*	.	H	α-helix	trans	-62.1	-19.5	179.6	-59.5	-174.2	158.8	0	0	114	G199 R205	G199-E201 VanDerWaalsContact C-N 3.33Å; G199-E201 PolarHBondContact O-N 2.82Å; G199-E201 VanDerWaalsContact O-N 3.17Å; E201-R205 WeakPolarHBondContact O-CD 3.39Å
202	T	89.8	Confident	94.6	Very high	51 Å²	51	65.6 Å²	65.6	31%	0.313	31%	0.306	S	S	.	.	H	α-helix	trans	-112.6	-25.2	-176.4	59.9	0	0	0	0	114.7	W75 G199 K200 R205	W75-T202 PolarHBondContact NE1-OG1 3.33Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.35Å; G199-T202 PolarHBondContact O-N 3.37Å; G199-T202 PolarHBondContact O-OG1 3.29Å; K200-T202 PolarHBondContact O-N 2.94Å; K200-T202 VanDerWaalsContact O-N 3.13Å; T202-R205 WeakPolarHBondContact O-CG 3.47Å; T202-R205 PolarHBondContact O-NE 3.3Å
203	L	90.9	Very high	94.6	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-102.5	-36.8	-176.3	-62.7	173.9	0	0	0	112.6	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.36Å; V52-L203 HydrophobicContact CB-CD2 4.28Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.13Å; T55-L203 HydrophobicContact CG2-CD2 3.99Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.33Å; W75-L203 HydrophobicContact CZ2-CD1 3.75Å; W75-L203 HydrophobicContact CZ2-CD2 4.01Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å; Y195-L203 WeakPolarHBondContact O-CD1 3.28Å; L196-L203 HydrophobicContact CD2-CB 4.2Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; G199-L203 PolarHBondContact O-N 2.8Å; L203-R205 VanDerWaalsContact C-N 3.27Å; L203-R205 PolarHBondContact O-N 2.76Å
204	Q	88.4	Confident	94.6	Very high	90 Å²	90	62.3 Å²	62.3	42%	0.421	30%	0.299	S	S	.	.	S	Bend	trans	-96.3	31.5	178.6	-57.9	176.7	33	0	0	111.2	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.18Å; K200-Q204 HydrophobicContact CG-CB 4.47Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.46Å; K200-Q204 PolarHBondContact O-N 2.88Å
205	R	89.1	Confident	94.5	Very high	86 Å²	86	59.3 Å²	59.3	33%	0.325	29%	0.29	S	S	.	.			trans	-110.6	146.1	174.7	68.5	-180	177.7	140.7	20.5	109.2	E201 T202 L203 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.39Å; T202-R205 WeakPolarHBondContact O-CG 3.47Å; T202-R205 PolarHBondContact O-NE 3.3Å; L203-R205 VanDerWaalsContact C-N 3.27Å; L203-R205 PolarHBondContact O-N 2.76Å; R205-E207 IonicContact CZ-OE1 3.34Å; R205-E207 IonicContact NH1-OE1 3.29Å; R205-E207 PolarHBondContact NH1-OE1 3.11Å; R205-E207 IonicContact NH2-OE1 2.68Å; R205-E207 PolarHBondContact NH2-OE1 3.2Å; R205-Y233 HydrophobicContact CG-CD1 4.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.48Å
206	A	91.8	Very high	94.4	Very high	44 Å²	44	63.2 Å²	63.2	36%	0.364	31%	0.308	S	S	.	.			trans	-116.8	121.6	165	0	0	0	0	0	109.3	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.42Å; A206-E288 HydrophobicContact CB-CB 4.17Å; A206-E288 HydrophobicContact CB-CG 4.25Å
207	E	94	Very high	94.3	Very high	56 Å²	56	67.3 Å²	67.3	26%	0.262	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-96.1	122.2	170.9	-71.9	-165.6	-129.1	0	0	108.9	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.34Å; R205-E207 IonicContact NH1-OE1 3.29Å; R205-E207 PolarHBondContact NH1-OE1 3.11Å; R205-E207 IonicContact NH2-OE1 2.68Å; R205-E207 PolarHBondContact NH2-OE1 3.2Å; E207-F232 WeakPolarHBondContact O-CA 3.4Å; E207-F232 VanDerWaalsContact O-CB 3.28Å; E207-F232 WeakPolarHBondContact O-CB 3.45Å; E207-Y233 PolarHBondContact N-O 3.41Å; E207-Y233 PolarHBondContact O-N 2.81Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; E207-H287 PolarHBondContact O-CE1 3.04Å
208	H	95.3	Very high	94	Very high	110 Å²	110	66.2 Å²	66.2	51%	0.509	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-74.3	145.3	-176.4	55.9	-104.1	0	0	0	112.6	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.91Å; H208-G289 WeakPolarHBondContact CB-O 3.3Å; H208-L290 HydrophobicContact CB-CD2 4.01Å
209	P	97.6	Very high	93.8	Very high	4 Å²	4	66.3 Å²	66.3	3%	0.026	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-67	127.8	178.5	27.7	-35.7	0	0	0	111.8	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 3.14Å; P209-T211 VanDerWaalsContact O-N 3.1Å; P209-A229 HydrophobicContact CB-CB 3.77Å; P209-F232 HydrophobicContact CB-CB 4.01Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.22Å; P209-I237 HydrophobicContact CB-CD1 3.99Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; P209-V285 HydrophobicContact CG-CG1 3.9Å; P209-H287 HydrophobicContact CG-CB 4.06Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.31Å; P209-L290 HydrophobicContact CG-CG 4.19Å
210	K	97.9	Very high	93.5	Very high	122 Å²	122	73.5 Å²	73.5	53%	0.53	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	93.2	168.5	-66.4	153.4	-170.5	145.4	0	107.9	H208 L230	H208-K210 PolarHBondContact O-N 2.91Å; K210-L230 WeakPolarHBondContact CB-O 3.46Å; K210-L230 PolarHBondContact N-O 3.14Å; K210-L230 PolarHBondContact O-N 3.2Å
211	T	97.9	Very high	93.4	Very high	34 Å²	34	76.1 Å²	76.1	21%	0.209	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	140.8	-171.7	51.2	0	0	0	0	113.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 3.14Å; P209-T211 VanDerWaalsContact O-N 3.1Å; T211-W228 VanDerWaalsContact CA-O 3.22Å; T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-A229 HydrophobicContact CG2-CB 4.43Å; T211-V285 HydrophobicContact CG2-CB 4.29Å; T211-V285 HydrophobicContact CG2-CG1 4.05Å; T211-V285 HydrophobicContact CG2-CG2 3.96Å; T211-L294 HydrophobicContact CG2-CD1 4.18Å; T211-L296 HydrophobicContact CG2-CD1 4.15Å
212	H	97.3	Very high	93.7	Very high	80 Å²	80	72.1 Å²	72.1	37%	0.37	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	156.8	169.4	65.3	-71.6	0	0	0	111.6	W228	H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3.17Å; H212-W228 AromaticContact NE2-CD1 3.57Å; H212-W228 AromaticContact NE2-CG 3.9Å; H212-W228 PolarHBondContact O-N 3.38Å
213	V	98.1	Very high	93.9	Very high	22 Å²	22	69.7 Å²	69.7	13%	0.133	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130	176	178.9	0	0	0	0	110	L225 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.45Å; V213-C227 HydrophobicContact CG2-CB 4.28Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.2Å; V213-L296 HydrophobicContact CG2-CB 3.88Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.78Å
214	T	96.8	Very high	94.3	Very high	32 Å²	32	70.5 Å²	70.5	20%	0.196	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.9	177.5	53	0	0	0	0	110.4	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.92Å; T214-L225 CarbonylContact O-C 3.6Å; T214-L225 WeakPolarHBondContact O-CA 3.34Å; T214-R226 PolarHBondContact N-O 3.17Å; T214-R226 PolarHBondContact O-N 2.9Å; T214-R226 PolarHBondContact OG1-O 2.79Å; T214-W228 PolarHBondContact OG1-NE1 3.49Å
215	H	95.9	Very high	94.7	Very high	54 Å²	54	66.2 Å²	66.2	25%	0.25	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.9	-176.9	165.3	-86.6	0	0	0	110.2	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.31Å; H215-A223 WeakPolarHBondContact NE2-CB 3.5Å; H215-L225 HydrophobicContact CB-CD2 3.91Å; H215-W298 HydrophobicContact CB-CD2 3.99Å; H215-W298 HydrophobicContact CB-CG 4.04Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 VanDerWaalsContact CB-NE1 3.34Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.93Å
216	H	94.4	Very high	95.1	Very high	83 Å²	83	64.2 Å²	64.2	38%	0.384	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	108.2	-178.2	-55.4	79.9	0	0	0	109.3	T214 V218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 2.92Å; H216-V218 PolarHBondContact O-N 3.48Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.45Å; H216-T224 PolarHBondContact N-O 3.19Å; H216-T224 PolarHBondContact O-N 2.76Å
217	P	93.5	Very high	95.5	Very high	101 Å²	101	62.1 Å²	62.1	66%	0.656	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	134	171.9	-21.6	32.1	0	0	0	110.9
218	V	90.4	Very high	95.7	Very high	92 Å²	92	62 Å²	62	56%	0.558	32%	0.316	S	S	*	.			trans	-109.1	-37.9	175.8	-177.2	0	0	0	0	110.2	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.48Å; V218-E222 PolarHBondContact N-O 2.96Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.37Å
219	S	91.5	Very high	95.8	Very high	52 Å²	52	56.8 Å²	56.8	36%	0.364	29%	0.292	S	S	.	.	S	Bend	trans	-148.9	-178.7	174.3	70.7	0	0	0	0	110.7	H221 E222	S219-H221 PolarHBondContact O-N 3.31Å; S219-H221 VanDerWaalsContact O-N 3.12Å; S219-H221 PolarHBondContact OG-N 3.47Å; S219-H221 VanDerWaalsContact OG-N 3.13Å; S219-E222 PolarHBondContact N-O 2.76Å; S219-E222 PolarHBondContact OG-N 3.02Å; S219-E222 VanDerWaalsContact OG-N 3.09Å
220	D	88.8	Confident	95.9	Very high	154 Å²	154	59.2 Å²	59.2	82%	0.824	31%	0.305	S	S	*	.	S	Bend	trans	-68.1	0.4	170.5	-61.7	-35	0	0	0	113.4
221	H	92.4	Very high	95.8	Very high	145 Å²	145	54 Å²	54	67%	0.671	29%	0.286	S	S	*	.	S	Bend	trans	-128.5	-16.9	-175.3	-56.2	-21.6	0	0	0	113.5	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.31Å; S219-H221 VanDerWaalsContact O-N 3.12Å; S219-H221 PolarHBondContact OG-N 3.47Å; S219-H221 VanDerWaalsContact OG-N 3.13Å; H221-P274 WeakPolarHBondContact O-CA 3.31Å; H221-S275 PolarHBondContact O-N 2.77Å; H221-S275 PolarHBondContact O-OG 2.97Å
222	E	95	Very high	95.8	Very high	97 Å²	97	52.4 Å²	52.4	45%	0.453	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.2	-171.9	-66	179.5	160.7	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.96Å; S219-E222 PolarHBondContact N-O 2.76Å; S219-E222 PolarHBondContact OG-N 3.02Å; S219-E222 VanDerWaalsContact OG-N 3.09Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.28Å; E222-S275 PolarHBondContact N-OG 2.72Å
223	A	95.7	Very high	95.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.9	171	0	0	0	0	0	111.1	H215 H216 V272 V273	H215-A223 VanDerWaalsContact NE2-CB 3.31Å; H215-A223 WeakPolarHBondContact NE2-CB 3.5Å; H216-A223 CarbonylContact O-C 3.49Å; H216-A223 WeakPolarHBondContact O-CA 3.45Å; A223-V272 WeakPolarHBondContact O-CA 3.44Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.99Å; A223-V273 PolarHBondContact O-N 2.74Å
224	T	97.4	Very high	95.5	Very high	23 Å²	23	48.6 Å²	48.6	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	116.9	169.3	-51.6	0	0	0	0	109.8	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.19Å; H216-T224 PolarHBondContact O-N 2.76Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.37Å; T224-A270 HydrophobicContact CG2-CB 3.85Å; T224-V271 WeakPolarHBondContact CA-O 3.41Å
225	L	98	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.3	162.9	-62.2	-174.5	0	0	0	108.6	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.45Å; T214-L225 CarbonylContact O-C 3.6Å; T214-L225 WeakPolarHBondContact O-CA 3.34Å; H215-L225 HydrophobicContact CB-CD2 3.91Å; L225-W241 HydrophobicContact CB-CH2 3.66Å; L225-W241 HydrophobicContact CB-CZ2 3.7Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 3.92Å; L225-W241 HydrophobicContact CD1-CZ3 4.12Å; L225-W241 HydrophobicContact CG-CH2 4.44Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.42Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 2.68Å; L225-V271 PolarHBondContact O-N 3.3Å; L225-V273 HydrophobicContact CD1-CG1 3.94Å; L225-V273 HydrophobicContact CD1-CG2 4.16Å; L225-V273 HydrophobicContact CG-CG1 4.02Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.15Å; L225-E278 HydrophobicContact CD2-CB 4.44Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.46Å; L225-W298 HydrophobicContact CD2-CG 4.06Å
226	R	98.3	Very high	95.4	Very high	43 Å²	43	51.3 Å²	51.3	16%	0.162	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.8	174.2	179.2	177.3	-68.7	102.8	5.7	110	T214 W228 E253 W268 A269 A270	T214-R226 PolarHBondContact N-O 3.17Å; T214-R226 PolarHBondContact O-N 2.9Å; T214-R226 PolarHBondContact OG1-O 2.79Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-E253 IonicContact NH2-OE2 3.85Å; R226-E253 PolarHBondContact NH2-OE2 2.71Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.01Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-W268 HydrophobicContact CG-CZ3 4.49Å; R226-A269 WeakPolarHBondContact CA-O 3.34Å; R226-A270 HydrophobicContact CB-CB 3.86Å; R226-A270 HydrophobicContact CG-CB 4.04Å
227	C	98.3	Very high	95.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.2	173.9	-175.1	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.28Å; C227-W241 HydrophobicContact CB-CH2 4.4Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.42Å; C227-W268 WeakPolarHBondContact O-CB 3.37Å; C227-A269 PolarHBondContact N-O 2.94Å; C227-A269 PolarHBondContact O-N 3Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 VanDerWaalsContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.27Å; C227-C283 WeakPolarHBondContact SG-CB 3.48Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.13Å
228	W	98.4	Very high	95.7	Very high	54 Å²	54	45.7 Å²	45.7	21%	0.205	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.7	179.6	-66.4	87.8	0	0	0	110.9	T211 H212 T214 R226 L230 W268	T211-W228 VanDerWaalsContact CA-O 3.22Å; T211-W228 WeakPolarHBondContact CA-O 3.36Å; H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3.17Å; H212-W228 AromaticContact NE2-CD1 3.57Å; H212-W228 AromaticContact NE2-CG 3.9Å; H212-W228 PolarHBondContact O-N 3.38Å; T214-W228 PolarHBondContact OG1-NE1 3.49Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CB-CG 4.47Å; W228-L230 HydrophobicContact CE3-CD2 3.99Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.38Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.67Å; W228-W268 HydrophobicContact CE3-CG 4.05Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.77Å; W228-W268 HydrophobicContact CH2-CG 4.4Å; W228-W268 HydrophobicContact CZ3-CB 4.41Å; W228-W268 AromaticContact CZ3-CD1 3.33Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; W228-W268 AromaticContact CZ3-NE1 3.96Å
229	A	98.5	Very high	96	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128	159.5	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.77Å; T211-A229 HydrophobicContact CG2-CB 4.43Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.74Å; A229-F232 WeakPolarHBondContact O-CE1 3.06Å; A229-I237 HydrophobicContact CB-CD1 3.74Å; A229-L239 HydrophobicContact CB-CD1 3.99Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; A229-Q266 WeakPolarHBondContact O-CA 3.43Å; A229-K267 PolarHBondContact N-O 3.07Å; A229-K267 PolarHBondContact O-N 2.89Å
230	L	98.3	Very high	96.3	Very high	56 Å²	56	40.9 Å²	40.9	29%	0.293	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.7	-175.2	-60.8	176.6	0	0	0	111.1	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.46Å; K210-L230 PolarHBondContact N-O 3.14Å; K210-L230 PolarHBondContact O-N 3.2Å; W228-L230 HydrophobicContact CB-CG 4.47Å; W228-L230 HydrophobicContact CE3-CD2 3.99Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å
231	G	97.3	Very high	96.8	Very high	13 Å²	13	33.6 Å²	33.6	13%	0.134	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.2	42.4	168.7	0	0	0	0	0	113.8	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.48Å; G231-F265 PolarHBondContact N-O 2.84Å
232	F	96.9	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	158.4	178.8	58.6	-91.4	0	0	0	113.1	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.4Å; E207-F232 VanDerWaalsContact O-CB 3.28Å; E207-F232 WeakPolarHBondContact O-CB 3.45Å; P209-F232 HydrophobicContact CB-CB 4.01Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.22Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.74Å; A229-F232 WeakPolarHBondContact O-CE1 3.06Å; F232-P234 WeakPolarHBondContact CD2-O 3.49Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.39Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE2-CB 3.86Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.46Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.26Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.59Å; F232-T257 HydrophobicContact CE2-CG2 4Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 2.93Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.87Å; F232-F265 HydrophobicContact CE1-CB 4.36Å; F232-F265 WeakPolarHBondContact CE1-O 3.01Å; F232-F265 HydrophobicContact CE2-CB 3.44Å; F232-F265 VanDerWaalsContact CE2-CB 3.44Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.7Å; F232-F265 PolarHBondContact N-O 3.14Å; F232-F265 PolarHBondContact O-N 2.89Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.93Å; F232-H287 AromaticContact CD2-NE2 3.73Å
233	Y	95.3	Very high	97.2	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-154.7	136	174.3	179.2	-82.1	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.94Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.41Å; T55-Y233 PolarHBondContact OG1-OH 3.08Å; R205-Y233 HydrophobicContact CG-CD1 4.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.48Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.42Å; E207-Y233 PolarHBondContact N-O 3.41Å; E207-Y233 PolarHBondContact O-N 2.81Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.45Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.1Å; Y233-H287 PolarHBondContact O-CE1 3.47Å; Y233-H287 VanDerWaalsContact O-CE1 3.24Å
234	P	94.7	Very high	97.1	Very high	18 Å²	18	32.4 Å²	32.4	12%	0.117	17%	0.165	C	C	.	.	S	Bend	cis	-69.1	178.3	1	30.3	-37.2	0	0	0	113.1	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.4Å; F232-P234 WeakPolarHBondContact CD2-O 3.49Å; P234-E236 VanDerWaalsContact C-N 3.35Å; P234-H287 PolarHBondContact O-NE2 3.02Å; P234-E288 WeakPolarHBondContact CG-OE2 3.45Å
235	A	96	Very high	96.8	Very high	14 Å²	14	33.5 Å²	33.5	12%	0.116	18%	0.181	C	C	.	.	S	Bend	trans	-73.9	-21.6	-176.3	0	0	0	0	0	114.2	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.44Å; D54-A235 VanDerWaalsContact CG-CB 3.46Å; D54-A235 WeakPolarHBondContact OD1-CB 3.37Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 3.12Å; A235-I237 PolarHBondContact O-N 2.97Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.27Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.81Å; A235-F265 HydrophobicContact CB-CE2 3.76Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.83Å
236	E	95.1	Very high	96.7	Very high	129 Å²	129	40.6 Å²	40.6	60%	0.603	21%	0.214	S	C	*	.			trans	-67.3	120.1	179.6	-172.8	48.3	-110.4	0	0	110.5	P234 H287	P234-E236 VanDerWaalsContact C-N 3.35Å; E236-H287 PolarHBondContact O-CD2 3.03Å; E236-H287 VanDerWaalsContact O-CD2 3.24Å
237	I	96.3	Very high	96.6	Very high	5 Å²	5	43 Å²	43	3%	0.026	23%	0.23	C	C	.	.			trans	-158.4	130.6	-173.3	-163.8	173.1	0	0	0	110.7	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.99Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; A229-I237 HydrophobicContact CB-CD1 3.74Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.39Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE2-CB 3.86Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.46Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.26Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.59Å; A235-I237 PolarHBondContact O-N 2.97Å; I237-L239 HydrophobicContact CD1-CD1 3.74Å; I237-L239 HydrophobicContact CG1-CD1 3.72Å; I237-L239 HydrophobicContact CG2-CD1 4.27Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; I237-V285 HydrophobicContact CD1-CG1 4.08Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; I237-Q286 WeakPolarHBondContact CG1-O 3.43Å; I237-H287 HydrophobicContact CD1-CB 4.24Å; I237-H287 HydrophobicContact CG1-CB 4.06Å
238	T	97.1	Very high	96.4	Very high	60 Å²	60	44.2 Å²	44.2	37%	0.368	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123	174.1	-70	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4Å; T238-V285 WeakPolarHBondContact O-CA 3.43Å; T238-Q286 PolarHBondContact N-O 3.36Å; T238-Q286 VanDerWaalsContact N-O 3.09Å; T238-Q286 PolarHBondContact O-N 2.9Å
239	L	97.8	Very high	96	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.4	170.3	-91.2	62.7	0	0	0	108	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 3.99Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; I237-L239 HydrophobicContact CD1-CD1 3.74Å; I237-L239 HydrophobicContact CG1-CD1 3.72Å; I237-L239 HydrophobicContact CG2-CD1 4.27Å; L239-L254 HydrophobicContact CB-CD1 4.11Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.32Å; L239-K267 HydrophobicContact CD2-CD 4.48Å; L239-K267 HydrophobicContact CD2-CG 4.38Å; L239-A269 HydrophobicContact CB-CB 4.09Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; L239-H284 WeakPolarHBondContact CA-O 3.36Å; L239-V285 HydrophobicContact CD1-CG1 3.98Å; L239-V285 HydrophobicContact CD1-CG2 4.31Å; L239-V285 HydrophobicContact CG-CG2 4.21Å
240	T	97.6	Very high	95.5	Very high	38 Å²	38	55.7 Å²	55.7	23%	0.233	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.3	173	60.6	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.22Å; T240-H284 PolarHBondContact N-O 2.95Å; T240-H284 PolarHBondContact O-N 3.1Å
241	W	98.2	Very high	95	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.1	167.1	-83.3	106.9	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.2Å; L225-W241 HydrophobicContact CB-CH2 3.66Å; L225-W241 HydrophobicContact CB-CZ2 3.7Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 3.92Å; L225-W241 HydrophobicContact CD1-CZ3 4.12Å; L225-W241 HydrophobicContact CG-CH2 4.44Å; C227-W241 HydrophobicContact CB-CH2 4.4Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 2.89Å; W241-A269 PolarHBondContact NE1-O 2.98Å; W241-V271 HydrophobicContact CB-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG1 3.58Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.13Å; W241-V271 HydrophobicContact CG-CG1 3.69Å; W241-V271 HydrophobicContact CZ2-CG1 4.3Å; W241-T282 WeakPolarHBondContact CA-O 3.5Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.03Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.1Å; W241-C283 HydrophobicContact CZ3-CB 3.95Å
242	Q	97.8	Very high	94.9	Very high	43 Å²	43	59 Å²	59	20%	0.201	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.9	170	-72.3	-175.7	-5.3	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.37Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.35Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; Q242-T282 PolarHBondContact N-O 3.12Å; Q242-T282 PolarHBondContact O-N 2.87Å; Q242-H284 PolarHBondContact OE1-NE2 2.73Å
243	R	97.4	Very high	94.9	Very high	69 Å²	69	64.2 Å²	64.2	26%	0.26	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.3	168.9	-174.5	-171.3	-171.1	177	3.1	108	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.5Å; R243-E246 PolarHBondContact N-O 3.45Å; R243-E246 PolarHBondContact O-N 3.25Å; R243-Q248 VanDerWaalsContact CB-CD 3.49Å; R243-Q248 HydrophobicContact CB-CG 3.93Å; R243-E277 IonicContact CZ-OE2 3.71Å; R243-E277 IonicContact NE-OE2 2.75Å; R243-E277 IonicContact NH2-OE1 3.45Å; R243-E277 PolarHBondContact NH2-OE1 2.96Å; R243-E277 IonicContact NH2-OE2 2.71Å; R243-E277 PolarHBondContact NH2-OE2 3.43Å; R243-R280 WeakPolarHBondContact CA-O 3.38Å; R243-R280 HydrophobicContact CG-CB 4.31Å; R243-Y281 HydrophobicContact CB-CD1 4.07Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.49Å; R243-Y281 HydrophobicContact CG-CD1 4.37Å; R243-Y281 HydrophobicContact CG-CD2 4.36Å; R243-Y281 HydrophobicContact CG-CE1 4.02Å; R243-Y281 HydrophobicContact CG-CE2 3.99Å; R243-Y281 PolarHBondContact NE-OH 3.36Å
244	D	95.1	Very high	94.9	Very high	104 Å²	104	68.4 Å²	68.4	56%	0.556	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	17.8	-173.9	-51.7	-58.5	0	0	0	115.4	R280	D244-R280 PolarHBondContact N-O 2.66Å; D244-R280 WeakPolarHBondContact OD1-CB 3.42Å; D244-R280 IonicContact OD1-NE 3.62Å; D244-R280 PolarHBondContact OD1-NE 2.88Å; D244-R280 IonicContact OD2-CZ 3.37Å; D244-R280 IonicContact OD2-NE 3.57Å; D244-R280 PolarHBondContact OD2-NE 3.31Å; D244-R280 IonicContact OD2-NH2 3.55Å; D244-R280 PolarHBondContact OD2-NH2 2.94Å
245	G	91.4	Very high	95	Very high	46 Å²	46	69.1 Å²	69.1	47%	0.474	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.2	-2.9	-176.1	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 3.5Å
246	E	95.4	Very high	95.1	Very high	150 Å²	150	76.7 Å²	76.7	70%	0.701	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.6	176.4	-61.8	-173.3	163.7	0	0	111.4	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.37Å; R243-E246 PolarHBondContact N-O 3.45Å; R243-E246 PolarHBondContact O-N 3.25Å; E246-Q248 PolarHBondContact O-N 3.45Å; E246-Q248 PolarHBondContact O-NE2 2.87Å
247	D	95.2	Very high	95.2	Very high	93 Å²	93	72.7 Å²	72.7	50%	0.497	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	130.3	-178.9	-67	-43	0	0	0	112.5	Q242 T249	Q242-D247 WeakPolarHBondContact CG-OD1 3.35Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å; D247-T249 PolarHBondContact O-N 2.8Å
248	Q	95	Very high	95.2	Very high	26 Å²	26	77.3 Å²	77.3	12%	0.121	40%	0.4	C	S	.	.			trans	-98.7	35.7	-175.8	-53.8	-64	-89.6	0	0	112.1	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 2.89Å; R243-Q248 VanDerWaalsContact CB-CD 3.49Å; R243-Q248 HydrophobicContact CB-CG 3.93Å; E246-Q248 PolarHBondContact O-N 3.45Å; E246-Q248 PolarHBondContact O-NE2 2.87Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.24Å; Q248-D251 PolarHBondContact O-N 3.31Å; Q248-D251 VanDerWaalsContact O-N 3.14Å; Q248-T252 WeakPolarHBondContact O-CB 3.43Å; Q248-T252 PolarHBondContact O-N 2.72Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 2.74Å; Q248-Y281 HydrophobicContact CG-CD1 4.5Å; Q248-Y281 HydrophobicContact CG-CE1 4.23Å
249	T	89	Confident	95.2	Very high	101 Å²	101	78.6 Å²	78.6	62%	0.62	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.5	-165.1	-49.5	0	0	0	0	114.8	D247	D247-T249 PolarHBondContact O-N 2.8Å
250	Q	88.9	Confident	95.2	Very high	193 Å²	193	80.6 Å²	80.6	90%	0.902	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-30.6	177.9	-63.5	-172.6	13.6	0	0	112.8	Q248	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.24Å
251	D	87.6	Confident	94.9	Very high	116 Å²	116	82.4 Å²	82.4	62%	0.62	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	4.6	-178.5	-52	-74.8	0	0	0	112.7	Q248	Q248-D251 PolarHBondContact O-N 3.31Å; Q248-D251 VanDerWaalsContact O-N 3.14Å
252	T	94.9	Very high	94.6	Very high	24 Å²	24	88 Å²	88	15%	0.147	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.6	-179.2	-63.4	0	0	0	0	111.9	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.43Å; Q248-T252 PolarHBondContact O-N 2.72Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 2.74Å; T252-L254 HydrophobicContact CG2-CB 4.32Å; T252-L254 PolarHBondContact O-N 3.03Å; T252-L254 VanDerWaalsContact O-N 3.13Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.3Å
253	E	96.6	Very high	94.3	Very high	109 Å²	109	87.9 Å²	87.9	51%	0.509	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	96.5	163.5	-176.1	-171.8	-153.1	0	0	109.1	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 3.85Å; R226-E253 PolarHBondContact NH2-OE2 2.71Å; E253-W268 HydrophobicContact CB-CZ3 4.3Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.75Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.48Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.29Å; E253-A269 CarbonylContact O-C 3.37Å; E253-A269 WeakPolarHBondContact O-CA 3.2Å; E253-A270 HydrophobicContact CB-CB 4.31Å; E253-A270 PolarHBondContact N-O 2.92Å; E253-A270 PolarHBondContact O-N 3.07Å
254	L	96.8	Very high	94.2	Very high	91 Å²	91	84.9 Å²	84.9	48%	0.476	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.6	176.8	-174.5	69.8	0	0	0	110.4	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.11Å; T252-L254 HydrophobicContact CG2-CB 4.32Å; T252-L254 PolarHBondContact O-N 3.03Å; T252-L254 VanDerWaalsContact O-N 3.13Å; L254-A269 HydrophobicContact CD1-CB 3.72Å
255	V	96.6	Very high	94.4	Very high	34 Å²	34	81.1 Å²	81.1	21%	0.206	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-86.5	153.5	175.2	-63.1	0	0	0	0	112.8	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 WeakPolarHBondContact O-CE 3.2Å; V255-K267 WeakPolarHBondContact O-CG 3.29Å; V255-K267 PolarHBondContact O-NZ 2.81Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.74Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.15Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.82Å; V255-W268 WeakPolarHBondContact CG2-O 3.2Å; V255-W268 PolarHBondContact N-O 3.36Å
256	E	96.7	Very high	94.7	Very high	172 Å²	172	81 Å²	81	80%	0.804	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-54	146.8	165.4	-66.9	-178.2	168.3	0	0	111	R258	E256-R258 PolarHBondContact O-N 2.87Å
257	T	97.8	Very high	94.9	Very high	46 Å²	46	74.9 Å²	74.9	28%	0.282	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-71.1	128.3	174.2	-54.3	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.27Å; T257-F265 HydrophobicContact CG2-CB 3.87Å; T257-F265 HydrophobicContact CG2-CD1 4.04Å; T257-F265 HydrophobicContact CG2-CG 4.24Å; T257-K267 WeakPolarHBondContact OG1-CD 3.01Å; T257-K267 PolarHBondContact OG1-NZ 3.3Å
258	R	97.2	Very high	95	Very high	101 Å²	101	71.6 Å²	71.6	38%	0.381	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.4	-174.6	70.4	-164.5	-176.3	-167	2.2	111	E256 Q266	E256-R258 PolarHBondContact O-N 2.87Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 3.39Å; R258-Q266 VanDerWaalsContact NE-CD 3.27Å; R258-Q266 VanDerWaalsContact O-CG 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.16Å; R258-Q266 PolarHBondContact O-N 2.99Å
259	P	96.9	Very high	95.2	Very high	87 Å²	87	70.3 Å²	70.3	57%	0.565	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	152.3	177.2	27.5	-34.6	0	0	0	111.7	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.38Å; P259-F265 HydrophobicContact CB-CE1 4.12Å; P259-Q266 PolarHBondContact O-NE2 2.92Å; P259-Q266 VanDerWaalsContact O-NE2 3.16Å
260	A	96.3	Very high	95.6	Very high	49 Å²	49	65.6 Å²	65.6	41%	0.405	37%	0.365	S	S	.	.			trans	-89.7	-23.3	168.4	0	0	0	0	0	112.5	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.39Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 2.97Å; A260-Q266 HydrophobicContact CB-CG 4.49Å
261	G	92.7	Very high	96	Very high	76 Å²	76	56.5 Å²	56.5	78%	0.784	32%	0.323	S	S	*	.	S	Bend	trans	101.3	-5.7	177.8	0	0	0	0	0	114.9
262	D	92.2	Very high	96.5	Very high	117 Å²	117	54.6 Å²	54.6	63%	0.626	32%	0.316	S	S	*	.	S	Bend	trans	-101	5.9	175.1	56.9	7.1	0	0	0	113.3	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.39Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 3.35Å; D262-T264 PolarHBondContact OD1-OG1 2.03Å; D262-T264 PolarHBondContact OD2-OG1 2.75Å
263	G	90.8	Very high	96.5	Very high	41 Å²	41	53.5 Å²	53.5	42%	0.423	31%	0.309	S	S	.	.	S	Bend	trans	95.3	-3.6	-171.8	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.45Å
264	T	96	Very high	96.5	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.043	30%	0.298	C	S	.	.			trans	-103.3	171.5	174.2	73.7	0	0	0	0	112.4	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.48Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 2.93Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 2.97Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 3.35Å; D262-T264 PolarHBondContact OD1-OG1 2.03Å; D262-T264 PolarHBondContact OD2-OG1 2.75Å
265	F	97.9	Very high	96.3	Very high	25 Å²	25	48.9 Å²	48.9	11%	0.11	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	164.4	-177.2	-66.8	-85.2	0	0	0	112.8	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 2.84Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.87Å; F232-F265 HydrophobicContact CE1-CB 4.36Å; F232-F265 WeakPolarHBondContact CE1-O 3.01Å; F232-F265 HydrophobicContact CE2-CB 3.44Å; F232-F265 VanDerWaalsContact CE2-CB 3.44Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.7Å; F232-F265 PolarHBondContact N-O 3.14Å; F232-F265 PolarHBondContact O-N 2.89Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.1Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.81Å; A235-F265 HydrophobicContact CB-CE2 3.76Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.83Å; T257-F265 HydrophobicContact CG2-CB 3.87Å; T257-F265 HydrophobicContact CG2-CD1 4.04Å; T257-F265 HydrophobicContact CG2-CG 4.24Å; P259-F265 HydrophobicContact CB-CD1 4.38Å; P259-F265 HydrophobicContact CB-CE1 4.12Å
266	Q	98.3	Very high	96.1	Very high	42 Å²	42	50.4 Å²	50.4	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.7	178	38.9	161.7	-26.8	0	0	110.1	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.43Å; L230-Q266 HydrophobicContact CD2-CB 3.62Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 3.39Å; R258-Q266 VanDerWaalsContact NE-CD 3.27Å; R258-Q266 VanDerWaalsContact O-CG 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.16Å; R258-Q266 PolarHBondContact O-N 2.99Å; P259-Q266 PolarHBondContact O-NE2 2.92Å; P259-Q266 VanDerWaalsContact O-NE2 3.16Å; A260-Q266 HydrophobicContact CB-CG 4.49Å
267	K	98.6	Very high	96	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.096	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.2	177.5	-161	-176.4	-169.6	65.4	0	109.2	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 3.07Å; A229-K267 PolarHBondContact O-N 2.89Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.32Å; L239-K267 HydrophobicContact CD2-CD 4.48Å; L239-K267 HydrophobicContact CD2-CG 4.38Å; V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 WeakPolarHBondContact O-CE 3.2Å; V255-K267 WeakPolarHBondContact O-CG 3.29Å; V255-K267 PolarHBondContact O-NZ 2.81Å; T257-K267 WeakPolarHBondContact OG1-CD 3.01Å; T257-K267 PolarHBondContact OG1-NZ 3.3Å
268	W	98.3	Very high	95.9	Very high	24 Å²	24	43.5 Å²	43.5	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	157.3	167.9	56.2	-96.1	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.01Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-W268 HydrophobicContact CG-CZ3 4.49Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.42Å; C227-W268 WeakPolarHBondContact O-CB 3.37Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.38Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.67Å; W228-W268 HydrophobicContact CE3-CG 4.05Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.77Å; W228-W268 HydrophobicContact CH2-CG 4.4Å; W228-W268 HydrophobicContact CZ3-CB 4.41Å; W228-W268 AromaticContact CZ3-CD1 3.33Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; W228-W268 AromaticContact CZ3-NE1 3.96Å; E253-W268 HydrophobicContact CB-CZ3 4.3Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.75Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.48Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.29Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.74Å; V255-W268 HydrophobicContact CG1-CZ2 3.42Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.42Å; V255-W268 HydrophobicContact CG1-CZ3 4.15Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.82Å; V255-W268 WeakPolarHBondContact CG2-O 3.2Å; V255-W268 PolarHBondContact N-O 3.36Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
269	A	98.3	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.8	173.4	0	0	0	0	0	108.2	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.34Å; C227-A269 PolarHBondContact N-O 2.94Å; C227-A269 PolarHBondContact O-N 3Å; L239-A269 HydrophobicContact CB-CB 4.09Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; W241-A269 PolarHBondContact NE1-O 2.98Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.37Å; E253-A269 WeakPolarHBondContact O-CA 3.2Å; L254-A269 HydrophobicContact CD1-CB 3.72Å
270	A	98	Very high	95.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.2	177.9	0	0	0	0	0	112.1	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.85Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.42Å; R226-A270 HydrophobicContact CB-CB 3.86Å; R226-A270 HydrophobicContact CG-CB 4.04Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.3Å; E253-A270 HydrophobicContact CB-CB 4.31Å; E253-A270 PolarHBondContact N-O 2.92Å; E253-A270 PolarHBondContact O-N 3.07Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
271	V	97.8	Very high	95.8	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143	178	63.1	0	0	0	0	109.1	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.41Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 2.68Å; L225-V271 PolarHBondContact O-N 3.3Å; W241-V271 HydrophobicContact CB-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG1 3.58Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.13Å; W241-V271 HydrophobicContact CG-CG1 3.69Å; W241-V271 HydrophobicContact CZ2-CG1 4.3Å; V271-V273 HydrophobicContact CG1-CG1 3.87Å; V271-Y281 HydrophobicContact CG1-CD1 4.08Å; V271-Y281 HydrophobicContact CG1-CE1 4.46Å; V271-Y281 HydrophobicContact CG2-CD1 4.46Å; V271-Y281 HydrophobicContact CG2-CE1 4.08Å
272	V	97.3	Very high	96.1	Very high	76 Å²	76	38.7 Å²	38.7	46%	0.461	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.4	172.1	-177.2	0	0	0	0	108.3	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; A223-V272 WeakPolarHBondContact O-CA 3.44Å
273	V	96.5	Very high	96.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.8	-176.3	-49.8	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.28Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.99Å; A223-V273 PolarHBondContact O-N 2.74Å; L225-V273 HydrophobicContact CD1-CG1 3.94Å; L225-V273 HydrophobicContact CD1-CG2 4.16Å; L225-V273 HydrophobicContact CG-CG1 4.02Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; V271-V273 HydrophobicContact CG1-CG1 3.87Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.1	Very high	96.7	Very high	44 Å²	44	32.9 Å²	32.9	29%	0.286	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	140.4	170.1	-20.1	32.4	0	0	0	111.4	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.31Å; P274-G276 PolarHBondContact O-N 3.47Å; P274-E277 HydrophobicContact CB-CB 4.25Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.46Å; P274-E277 WeakPolarHBondContact O-CB 3.02Å; P274-E277 PolarHBondContact O-N 2.87Å
275	S	92.5	Very high	96.8	Very high	58 Å²	58	32.5 Å²	32.5	41%	0.406	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	128.3	178	-61.5	0	0	0	0	111.8	H221 E222 E278	H221-S275 PolarHBondContact O-N 2.77Å; H221-S275 PolarHBondContact O-OG 2.97Å; E222-S275 PolarHBondContact N-OG 2.72Å; S275-E278 WeakPolarHBondContact CA-OE1 3.39Å
276	G	91.4	Very high	96.7	Very high	67 Å²	67	34.5 Å²	34.5	69%	0.691	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.3	-5.6	-173.5	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.47Å; G276-E278 VanDerWaalsContact C-OE2 3.24Å; G276-E278 WeakPolarHBondContact CA-OE2 3.33Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.2Å; G276-E278 PolarHBondContact N-OE2 2.88Å; G276-E278 VanDerWaalsContact N-OE2 3.15Å
277	E	95.3	Very high	96.6	Very high	52 Å²	52	32.6 Å²	32.6	24%	0.243	18%	0.181	C	C	.	.			trans	-98.2	0.9	174.7	-69.9	-157.7	-141.9	0	0	113.9	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.71Å; R243-E277 IonicContact NE-OE2 2.75Å; R243-E277 IonicContact NH2-OE1 3.45Å; R243-E277 PolarHBondContact NH2-OE1 2.96Å; R243-E277 IonicContact NH2-OE2 2.71Å; R243-E277 PolarHBondContact NH2-OE2 3.43Å; P274-E277 HydrophobicContact CB-CB 4.25Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.46Å; P274-E277 WeakPolarHBondContact O-CB 3.02Å; P274-E277 PolarHBondContact O-N 2.87Å; E277-Q279 PolarHBondContact O-N 3.35Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 3.26Å; E277-R280 IonicContact OE1-NH1 3.79Å; E277-R280 VanDerWaalsContact OE2-CD 3.24Å; E277-R280 WeakPolarHBondContact OE2-CD 3.48Å; E277-R280 IonicContact OE2-CZ 2.72Å; E277-R280 IonicContact OE2-NE 3.93Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 2.67Å; E277-Y281 HydrophobicContact CB-CE2 4.43Å; E277-Y281 WeakPolarHBondContact O-CD2 3.29Å
278	E	94.9	Very high	96.2	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.093	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.3	-29.9	-168.5	-53.6	80.1	-173.9	0	0	113.2	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.15Å; L225-E278 HydrophobicContact CD2-CB 4.44Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; S275-E278 WeakPolarHBondContact CA-OE1 3.39Å; G276-E278 VanDerWaalsContact C-OE2 3.24Å; G276-E278 WeakPolarHBondContact CA-OE2 3.33Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.2Å; G276-E278 PolarHBondContact N-OE2 2.88Å; G276-E278 VanDerWaalsContact N-OE2 3.15Å; E278-R280 VanDerWaalsContact C-N 3.31Å; E278-R280 PolarHBondContact O-N 3.16Å; E278-Y281 PolarHBondContact O-N 2.87Å; E278-W298 HydrophobicContact CB-CE3 3.5Å; E278-W298 VanDerWaalsContact CB-CE3 3.5Å; E278-W298 HydrophobicContact CB-CZ3 3.95Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å
279	Q	95.2	Very high	95.9	Very high	92 Å²	92	34.5 Å²	34.5	43%	0.43	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-75.2	-15.1	179.7	-61.5	-57.5	-44.4	0	0	114.2	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.35Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-R297 PolarHBondContact O-NE 2.86Å; Q279-R297 VanDerWaalsContact O-NE 3.12Å; Q279-W298 PolarHBondContact NE2-O 3.16Å
280	R	96.7	Very high	95.7	Very high	103 Å²	103	35.7 Å²	35.7	39%	0.389	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-73.8	-20.6	170.9	-62.4	175.3	70	174.4	5.2	111.9	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.38Å; R243-R280 HydrophobicContact CG-CB 4.31Å; D244-R280 PolarHBondContact N-O 2.66Å; D244-R280 WeakPolarHBondContact OD1-CB 3.42Å; D244-R280 IonicContact OD1-NE 3.62Å; D244-R280 PolarHBondContact OD1-NE 2.88Å; D244-R280 IonicContact OD2-CZ 3.37Å; D244-R280 IonicContact OD2-NE 3.57Å; D244-R280 PolarHBondContact OD2-NE 3.31Å; D244-R280 IonicContact OD2-NH2 3.55Å; D244-R280 PolarHBondContact OD2-NH2 2.94Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 3.26Å; E277-R280 IonicContact OE1-NH1 3.79Å; E277-R280 VanDerWaalsContact OE2-CD 3.24Å; E277-R280 WeakPolarHBondContact OE2-CD 3.48Å; E277-R280 IonicContact OE2-CZ 2.72Å; E277-R280 IonicContact OE2-NE 3.93Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 2.67Å; E278-R280 VanDerWaalsContact C-N 3.31Å; E278-R280 PolarHBondContact O-N 3.16Å
281	Y	97.6	Very high	95.4	Very high	7 Å²	7	42 Å²	42	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.6	-176.4	-69.3	-99.6	0	0	0	111.6	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; R243-Y281 HydrophobicContact CB-CD1 4.07Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.49Å; R243-Y281 HydrophobicContact CG-CD1 4.37Å; R243-Y281 HydrophobicContact CG-CD2 4.36Å; R243-Y281 HydrophobicContact CG-CE1 4.02Å; R243-Y281 HydrophobicContact CG-CE2 3.99Å; R243-Y281 PolarHBondContact NE-OH 3.36Å; Q248-Y281 HydrophobicContact CG-CD1 4.5Å; Q248-Y281 HydrophobicContact CG-CE1 4.23Å; V271-Y281 HydrophobicContact CG1-CD1 4.08Å; V271-Y281 HydrophobicContact CG1-CE1 4.46Å; V271-Y281 HydrophobicContact CG2-CD1 4.46Å; V271-Y281 HydrophobicContact CG2-CE1 4.08Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.43Å; E277-Y281 WeakPolarHBondContact O-CD2 3.29Å; E278-Y281 PolarHBondContact O-N 2.87Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	97.9	Very high	95.1	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.4	176	44	0	0	0	0	110.8	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.5Å; Q242-T282 PolarHBondContact N-O 3.12Å; Q242-T282 PolarHBondContact O-N 2.87Å; T282-H284 WeakPolarHBondContact CB-NE2 3.47Å; T282-H284 PolarHBondContact OG1-NE2 3.12Å; T282-T295 HydrophobicContact CG2-CG2 3.88Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.32Å; T282-R297 HydrophobicContact CG2-CG 3.74Å
283	C	98.2	Very high	95	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129	169.2	174.4	0	0	0	0	109.2	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 VanDerWaalsContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.27Å; C227-C283 WeakPolarHBondContact SG-CB 3.48Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.13Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.22Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.03Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.1Å; W241-C283 HydrophobicContact CZ3-CB 3.95Å; C283-T295 CarbonylContact O-C 3.48Å; C283-T295 WeakPolarHBondContact O-CA 3.12Å; C283-L296 HydrophobicContact CB-CB 4.39Å; C283-L296 PolarHBondContact N-O 3.18Å; C283-L296 PolarHBondContact O-N 3.43Å
284	H	97.9	Very high	95.1	Very high	35 Å²	35	52.4 Å²	52.4	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.9	175.7	-60.9	-95.6	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.36Å; T240-H284 PolarHBondContact N-O 2.95Å; T240-H284 PolarHBondContact O-N 3.1Å; Q242-H284 PolarHBondContact OE1-NE2 2.73Å; T282-H284 WeakPolarHBondContact CB-NE2 3.47Å; T282-H284 PolarHBondContact OG1-NE2 3.12Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.33Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.44Å; H284-T295 PolarHBondContact CE1-OG1 3.15Å; H284-T295 PolarHBondContact ND1-OG1 2.97Å; H284-T295 VanDerWaalsContact ND1-OG1 3.08Å
285	V	98	Very high	95.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.1	-177	-176.4	0	0	0	0	110	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.9Å; T211-V285 HydrophobicContact CG2-CB 4.29Å; T211-V285 HydrophobicContact CG2-CG1 4.05Å; T211-V285 HydrophobicContact CG2-CG2 3.96Å; I237-V285 HydrophobicContact CD1-CG1 4.08Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; T238-V285 WeakPolarHBondContact O-CA 3.43Å; L239-V285 HydrophobicContact CD1-CG1 3.98Å; L239-V285 HydrophobicContact CD1-CG2 4.31Å; L239-V285 HydrophobicContact CG-CG2 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; V285-P293 WeakPolarHBondContact O-CA 3.27Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.23Å; V285-L294 PolarHBondContact O-N 3.28Å; V285-L296 HydrophobicContact CG2-CD1 3.83Å
286	Q	97	Very high	95.3	Very high	66 Å²	66	53 Å²	53	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.1	176.9	-52.6	-177.4	11.9	0	0	109.7	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.43Å; T238-Q286 PolarHBondContact N-O 3.36Å; T238-Q286 VanDerWaalsContact N-O 3.09Å; T238-Q286 PolarHBondContact O-N 2.9Å; Q286-P293 HydrophobicContact CG-CB 4.07Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	95.2	Very high	95.6	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.009	29%	0.288	C	S	.	.			trans	-159.4	151.1	-175.1	-173.7	-100	0	0	0	110.8	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.04Å; P209-H287 HydrophobicContact CG-CB 4.06Å; F232-H287 AromaticContact CD2-CD2 3.93Å; F232-H287 AromaticContact CD2-NE2 3.73Å; Y233-H287 PolarHBondContact O-CE1 3.47Å; Y233-H287 VanDerWaalsContact O-CE1 3.24Å; P234-H287 PolarHBondContact O-NE2 3.02Å; E236-H287 PolarHBondContact O-CD2 3.03Å; E236-H287 VanDerWaalsContact O-CD2 3.24Å; I237-H287 HydrophobicContact CD1-CB 4.24Å; I237-H287 HydrophobicContact CG1-CB 4.06Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 3.24Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.25Å; H287-L290 PolarHBondContact O-N 3.4Å
288	E	91.2	Very high	95.6	Very high	66 Å²	66	56.3 Å²	56.3	31%	0.308	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.9	-177.2	-161.4	169.4	170.2	0	0	113.7	W23 C25 A206 P234 L290	W23-E288 HydrophobicContact CD2-CB 4.41Å; W23-E288 HydrophobicContact CE3-CB 3.54Å; W23-E288 HydrophobicContact CE3-CG 3.73Å; W23-E288 HydrophobicContact CH2-CB 4.34Å; W23-E288 VanDerWaalsContact CH2-N 3.33Å; W23-E288 HydrophobicContact CZ3-CB 3.51Å; W23-E288 HydrophobicContact CZ3-CG 4.19Å; C25-E288 PolarHBondContact SG-OE1 2.9Å; A206-E288 HydrophobicContact CB-CB 4.17Å; A206-E288 HydrophobicContact CB-CG 4.25Å; P234-E288 WeakPolarHBondContact CG-OE2 3.45Å; E288-L290 PolarHBondContact O-N 2.74Å
289	G	91	Very high	95.3	Very high	21 Å²	21	63.2 Å²	63.2	22%	0.216	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.7	177.6	0	0	0	0	0	114.2	H208 H287	H208-G289 WeakPolarHBondContact CB-O 3.3Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 3.24Å
290	L	93.6	Very high	94.7	Very high	25 Å²	25	62.5 Å²	62.5	13%	0.131	32%	0.32	C	S	.	.			trans	-102.7	124.2	-179.6	-61.3	174.1	0	0	0	110.3	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.01Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.31Å; P209-L290 HydrophobicContact CG-CG 4.19Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.25Å; H287-L290 PolarHBondContact O-N 3.4Å; E288-L290 PolarHBondContact O-N 2.74Å; L290-E292 VanDerWaalsContact C-N 3.25Å; L290-E292 PolarHBondContact O-N 2.94Å; L290-L294 HydrophobicContact CD1-CD1 4.06Å; L290-L294 HydrophobicContact CD1-CG 3.93Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CG 3.88Å
291	P	91.7	Very high	93.2	Very high	134 Å²	134	62.6 Å²	62.6	87%	0.87	34%	0.336	S	S	*	.	S	Bend	trans	-69.6	-25.3	176.7	29.4	-35	0	0	0	112.6
292	E	92.9	Very high	90.9	Very high	154 Å²	154	67.5 Å²	67.5	72%	0.72	37%	0.372	S	S	*	.	S	Bend	trans	-143	147.6	173.6	-65.4	-176.4	177.6	0	0	108.8	L290 L294	L290-E292 VanDerWaalsContact C-N 3.25Å; L290-E292 PolarHBondContact O-N 2.94Å; E292-L294 PolarHBondContact O-N 2.95Å
293	P	95.3	Very high	88.4	Confident	80 Å²	80	74.5 Å²	74.5	52%	0.519	40%	0.403	S	S	.	.			trans	-54.9	132.6	175.4	-29.1	37.3	0	0	0	113.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.27Å; Q286-P293 HydrophobicContact CG-CB 4.07Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	96.8	Very high	85.9	Confident	63 Å²	63	79.4 Å²	79.4	33%	0.33	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.1	175.6	-64.9	177.2	0	0	0	110.5	T211 H284 V285 L290 E292 L296	T211-L294 HydrophobicContact CG2-CD1 4.18Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.33Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.23Å; V285-L294 PolarHBondContact O-N 3.28Å; L290-L294 HydrophobicContact CD1-CD1 4.06Å; L290-L294 HydrophobicContact CD1-CG 3.93Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; E292-L294 PolarHBondContact O-N 2.95Å; L294-L296 HydrophobicContact CB-CD1 4.18Å
295	T	97.5	Very high	83.7	Confident	83 Å²	83	84.3 Å²	84.3	51%	0.509	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.5	169.8	-57.4	0	0	0	0	109.1	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.88Å; C283-T295 CarbonylContact O-C 3.48Å; C283-T295 WeakPolarHBondContact O-CA 3.12Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.44Å; H284-T295 PolarHBondContact CE1-OG1 3.15Å; H284-T295 PolarHBondContact ND1-OG1 2.97Å; H284-T295 VanDerWaalsContact ND1-OG1 3.08Å
296	L	97	Very high	81.7	Confident	33 Å²	33	89.3 Å²	89.3	17%	0.173	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.1	-177.3	-61.6	112.3	0	0	0	111.4	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.15Å; V213-L296 HydrophobicContact CG2-CB 3.88Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.32Å; C283-L296 HydrophobicContact CB-CB 4.39Å; C283-L296 PolarHBondContact N-O 3.18Å; C283-L296 PolarHBondContact O-N 3.43Å; V285-L296 HydrophobicContact CG2-CD1 3.83Å; L294-L296 HydrophobicContact CB-CD1 4.18Å
297	R	96	Very high	79.8	Confident	142 Å²	142	90.2 Å²	90.2	54%	0.536	51%	0.505	S	S	.	.			trans	-114.3	167.7	164.2	-72.8	-170.9	169.4	127.8	5.1	109.9	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 2.86Å; Q279-R297 VanDerWaalsContact O-NE 3.12Å; T282-R297 HydrophobicContact CG2-CG 3.74Å; R297-E299 PolarHBondContact O-N 3.04Å
298	W	95.7	Very high	78.2	Confident	46 Å²	46	95.9 Å²	95.9	17%	0.174	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-73	121.3	164	171.4	54.1	0	0	0	110.3	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.78Å; H215-W298 HydrophobicContact CB-CD2 3.99Å; H215-W298 HydrophobicContact CB-CG 4.04Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 VanDerWaalsContact CB-NE1 3.34Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.93Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.46Å; L225-W298 HydrophobicContact CD2-CG 4.06Å; E278-W298 HydrophobicContact CB-CE3 3.5Å; E278-W298 VanDerWaalsContact CB-CE3 3.5Å; E278-W298 HydrophobicContact CB-CZ3 3.95Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å; Q279-W298 PolarHBondContact NE2-O 3.16Å; W298-P300 HydrophobicContact CD2-CG 4.48Å; W298-P300 HydrophobicContact CE3-CG 4.28Å; W298-P300 HydrophobicContact CH2-CB 4.16Å; W298-P300 HydrophobicContact CH2-CG 3.85Å; W298-P300 HydrophobicContact CZ2-CB 3.96Å; W298-P300 HydrophobicContact CZ2-CG 3.99Å; W298-P300 HydrophobicContact CZ3-CG 3.99Å
299	E	89.5	Confident	76.8	Confident	165 Å²	165	98.6 Å²	98.6	77%	0.771	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-95.4	120.8	166.7	-65.4	-170.6	164.2	0	0	109.5	R297 S301	R297-E299 PolarHBondContact O-N 3.04Å; E299-S301 PolarHBondContact O-N 3.23Å
300	P	81.6	Confident	75.7	Confident	77 Å²	77	99.8 Å²	99.8	50%	0.5	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-58	132.8	170.3	-22.8	33.3	0	0	0	110.3	W298 S302	W298-P300 HydrophobicContact CD2-CG 4.48Å; W298-P300 HydrophobicContact CE3-CG 4.28Å; W298-P300 HydrophobicContact CH2-CB 4.16Å; W298-P300 HydrophobicContact CH2-CG 3.85Å; W298-P300 HydrophobicContact CZ2-CB 3.96Å; W298-P300 HydrophobicContact CZ2-CG 3.99Å; W298-P300 HydrophobicContact CZ3-CG 3.99Å; P300-S302 PolarHBondContact O-N 2.82Å
301	S	65.8	Low	74.8	Confident	104 Å²	104	103 Å²	103	73%	0.727	58%	0.584	S	S	*	*			trans	-61.5	105.2	-174.1	-171.2	0	0	0	0	111.4	E299 Q303	E299-S301 PolarHBondContact O-N 3.23Å; S301-Q303 PolarHBondContact O-N 3.36Å
302	S	49.8	Very low	74	Confident	110 Å²	110	100.9 Å²	100.9	77%	0.769	57%	0.568	S	S	*	*			trans	-78.4	47.7	176	52.9	0	0	0	0	111.5	P300 P304	P300-S302 PolarHBondContact O-N 2.82Å; S302-P304 WeakPolarHBondContact O-CD 3.19Å; S302-P304 VanDerWaalsContact O-N 3.1Å
303	Q	45.6	Very low	73.1	Confident	158 Å²	158	96 Å²	96	74%	0.738	55%	0.554	S	S	*	*			trans	-57.5	115.6	159.6	-77.8	-167.2	-4.5	0	0	107.2	S301 T305	S301-Q303 PolarHBondContact O-N 3.36Å; Q303-T305 PolarHBondContact O-N 3.07Å; Q303-T305 VanDerWaalsContact O-N 3.08Å
304	P	44.5	Very low	72.4	Confident	103 Å²	103	93.8 Å²	93.8	67%	0.669	55%	0.546	S	S	*	.			trans	-65.3	118.5	170.1	27.8	-31.4	0	0	0	106.3	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.19Å; S302-P304 VanDerWaalsContact O-N 3.1Å; P304-I306 HydrophobicContact CG-CG1 4.46Å; P304-I306 PolarHBondContact O-N 2.79Å
305	T	51.6	Low	71.8	Confident	138 Å²	138	96 Å²	96	85%	0.847	56%	0.557	S	S	*	*			trans	-66.7	78.6	166.2	-51.9	0	0	0	0	107.6	Q303 P307	Q303-T305 PolarHBondContact O-N 3.07Å; Q303-T305 VanDerWaalsContact O-N 3.08Å; T305-P307 WeakPolarHBondContact O-CD 3.41Å; T305-P307 VanDerWaalsContact O-N 3.09Å
306	I	55.9	Low	71.1	Confident	105 Å²	105	94.7 Å²	94.7	54%	0.538	56%	0.555	S	S	.	*			trans	-49.9	121.4	172.4	-64	175.2	0	0	0	105.1	P304 I308 I311	P304-I306 HydrophobicContact CG-CG1 4.46Å; P304-I306 PolarHBondContact O-N 2.79Å; I306-I308 HydrophobicContact CG2-CG1 4.42Å; I306-I308 PolarHBondContact O-N 3.17Å; I306-I311 HydrophobicContact CG2-CD1 3.87Å
307	P	57.3	Low	70.5	Confident	85 Å²	85	97.3 Å²	97.3	55%	0.552	57%	0.572	S	S	*	*			trans	-75.9	74.9	-173.1	29.8	-35	0	0	0	109.1	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.41Å; T305-P307 VanDerWaalsContact O-N 3.09Å; P307-V309 PolarHBondContact O-N 2.87Å; P307-G310 CarbonylContact O-C 3.59Å; P307-G310 WeakPolarHBondContact O-CA 3.42Å; P307-G310 PolarHBondContact O-N 2.82Å; P307-I311 PolarHBondContact O-N 2.67Å
308	I	61.3	Low	70	Confident	121 Å²	121	96 Å²	96	62%	0.621	58%	0.575	S	S	*	*	H	α-helix	trans	-54.4	-38.6	177.4	-67.2	161.9	0	0	0	109.2	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.42Å; I306-I308 PolarHBondContact O-N 3.17Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 2.9Å; I308-I311 PolarHBondContact O-N 2.87Å; I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.42Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.5Å; I308-V312 PolarHBondContact O-N 3.47Å
309	V	63.2	Low	69.5	Low	124 Å²	124	96.5 Å²	96.5	75%	0.752	59%	0.589	S	S	*	*	H	α-helix	trans	-56.7	-44	171.1	-178.5	0	0	0	0	112.1	P307 A313	P307-V309 PolarHBondContact O-N 2.87Å; V309-A313 WeakPolarHBondContact O-CB 3.34Å; V309-A313 PolarHBondContact O-N 3.25Å
310	G	67	Low	69.2	Low	45 Å²	45	93 Å²	93	46%	0.464	58%	0.579	S	S	.	*	H	α-helix	trans	-69.3	-39.8	178	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 CarbonylContact O-C 3.59Å; P307-G310 WeakPolarHBondContact O-CA 3.42Å; P307-G310 PolarHBondContact O-N 2.82Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 2.9Å; G310-G314 PolarHBondContact O-N 3.04Å
311	I	73.8	Confident	69.4	Low	93 Å²	93	94.2 Å²	94.2	48%	0.477	58%	0.581	S	S	.	*	H	α-helix	trans	-65.9	-46.7	175.7	-62.5	172	0	0	0	110.3	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.87Å; P307-I311 PolarHBondContact O-N 2.67Å; I308-I311 PolarHBondContact O-N 2.87Å; I311-G314 PolarHBondContact O-N 2.76Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.31Å; I311-L315 PolarHBondContact O-N 2.89Å
312	V	75	Confident	70.2	Confident	89 Å²	89	92.4 Å²	92.4	54%	0.539	57%	0.572	S	S	.	*	H	α-helix	trans	-63.2	-42.7	177.2	170	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.42Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.5Å; I308-V312 PolarHBondContact O-N 3.47Å; V312-L315 PolarHBondContact O-N 3.41Å; V312-A316 WeakPolarHBondContact O-CB 3.4Å; V312-A316 PolarHBondContact O-N 2.91Å
313	A	74.8	Confident	71.8	Confident	52 Å²	52	91.7 Å²	91.7	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-62.9	-44.2	174.9	0	0	0	0	0	112.2	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.34Å; V309-A313 PolarHBondContact O-N 3.25Å; A313-A316 PolarHBondContact O-N 3.43Å; A313-V317 WeakPolarHBondContact O-CG2 3.45Å; A313-V317 PolarHBondContact O-N 2.9Å
314	G	80.9	Confident	73.5	Confident	34 Å²	34	89 Å²	89	35%	0.351	55%	0.553	S	S	.	*	H	α-helix	trans	-61.3	-44.6	176.4	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.04Å; I311-G314 PolarHBondContact O-N 2.76Å; G314-V317 PolarHBondContact O-N 3.13Å; G314-L318 WeakPolarHBondContact O-CG 3.12Å; G314-L318 PolarHBondContact O-N 3.46Å
315	L	84.9	Confident	75.3	Confident	109 Å²	109	86 Å²	86	57%	0.571	54%	0.541	S	S	*	.	H	α-helix	trans	-65	-39.5	175.7	-71.2	171.7	0	0	0	112.3	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.31Å; I311-L315 PolarHBondContact O-N 2.89Å; V312-L315 PolarHBondContact O-N 3.41Å; L315-L318 PolarHBondContact O-N 3.21Å; L315-A319 WeakPolarHBondContact O-CB 3.19Å; L315-A319 PolarHBondContact O-N 2.84Å
316	A	82.1	Confident	76.6	Confident	56 Å²	56	82.1 Å²	82.1	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-43.4	175.6	0	0	0	0	0	112	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.4Å; V312-A316 PolarHBondContact O-N 2.91Å; A313-A316 PolarHBondContact O-N 3.43Å; A316-A319 PolarHBondContact O-N 2.81Å; A316-V320 WeakPolarHBondContact O-CG2 3.44Å; A316-V320 PolarHBondContact O-N 3.13Å
317	V	85	Confident	77.7	Confident	88 Å²	88	80.9 Å²	80.9	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-44.4	175.3	170.8	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.45Å; A313-V317 PolarHBondContact O-N 2.9Å; G314-V317 PolarHBondContact O-N 3.13Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.82Å; V317-V320 PolarHBondContact O-N 3.32Å; V317-L321 HydrophobicContact CG1-CD1 3.88Å; V317-L321 HydrophobicContact CG1-CG 4.38Å; V317-L321 WeakPolarHBondContact O-CB 3.47Å; V317-L321 VanDerWaalsContact O-CG 3.32Å; V317-L321 WeakPolarHBondContact O-CG 3.39Å; V317-L321 PolarHBondContact O-N 3.03Å
318	L	84.5	Confident	78.6	Confident	114 Å²	114	82.4 Å²	82.4	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-61.1	-41.2	176	-75.9	168.3	0	0	0	112.4	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CG 3.12Å; G314-L318 PolarHBondContact O-N 3.46Å; L315-L318 PolarHBondContact O-N 3.21Å; L318-L321 PolarHBondContact O-N 3Å; L318-A322 WeakPolarHBondContact O-CB 3.29Å; L318-A322 PolarHBondContact O-N 3.03Å
319	A	84.3	Confident	79.2	Confident	57 Å²	57	79.1 Å²	79.1	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-44.1	176	0	0	0	0	0	112.2	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.19Å; L315-A319 PolarHBondContact O-N 2.84Å; A316-A319 PolarHBondContact O-N 2.81Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.82Å; A319-A322 PolarHBondContact O-N 2.7Å; A319-V323 WeakPolarHBondContact O-CG2 3.46Å; A319-V323 PolarHBondContact O-N 3.36Å
320	V	85.1	Confident	79.7	Confident	90 Å²	90	77.1 Å²	77.1	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175.8	170.3	0	0	0	0	111.3	A316 V317 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.44Å; A316-V320 PolarHBondContact O-N 3.13Å; V317-V320 PolarHBondContact O-N 3.32Å; V320-V323 PolarHBondContact O-N 3.04Å; V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 HydrophobicContact CG1-CG 4.5Å; V320-L324 WeakPolarHBondContact O-CG 3.5Å; V320-L324 PolarHBondContact O-N 3.46Å
321	L	84.9	Confident	80	Confident	104 Å²	104	78.4 Å²	78.4	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-39.1	176.8	-70.7	172	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.88Å; V317-L321 HydrophobicContact CG1-CG 4.38Å; V317-L321 WeakPolarHBondContact O-CB 3.47Å; V317-L321 VanDerWaalsContact O-CG 3.32Å; V317-L321 WeakPolarHBondContact O-CG 3.39Å; V317-L321 PolarHBondContact O-N 3.03Å; L318-L321 PolarHBondContact O-N 3Å; L321-L324 PolarHBondContact O-N 3.46Å; L321-G325 PolarHBondContact O-N 3.14Å
322	A	83.1	Confident	79.9	Confident	65 Å²	65	80.2 Å²	80.2	54%	0.537	51%	0.507	S	S	.	.	H	α-helix	trans	-64.2	-42.7	175.4	0	0	0	0	0	112.1	L318 A319 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.29Å; L318-A322 PolarHBondContact O-N 3.03Å; A319-A322 PolarHBondContact O-N 2.7Å; A322-G325 PolarHBondContact O-N 3.01Å; A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 3Å
323	V	82.9	Confident	79.3	Confident	95 Å²	95	80.2 Å²	80.2	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-63.8	-44.9	175.1	171.1	0	0	0	0	111.2	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.46Å; A319-V323 PolarHBondContact O-N 3.36Å; V320-V323 PolarHBondContact O-N 3.04Å; V323-G325 PolarHBondContact O-N 3.04Å; V323-A326 PolarHBondContact O-N 3.35Å; V323-V327 WeakPolarHBondContact O-CG2 3.38Å; V323-V327 PolarHBondContact O-N 3.11Å
324	L	81.9	Confident	78.7	Confident	101 Å²	101	86.8 Å²	86.8	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-42.8	175.9	-72.8	169.1	0	0	0	111.9	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 HydrophobicContact CG1-CG 4.5Å; V320-L324 WeakPolarHBondContact O-CG 3.5Å; V320-L324 PolarHBondContact O-N 3.46Å; L321-L324 PolarHBondContact O-N 3.46Å; L324-V327 PolarHBondContact O-N 2.73Å; L324-M328 WeakPolarHBondContact O-CB 3.27Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.16Å; L324-M328 PolarHBondContact O-N 3.45Å
325	G	81.3	Confident	77.6	Confident	41 Å²	41	95.2 Å²	95.2	42%	0.423	54%	0.544	S	S	.	.	H	α-helix	trans	-60.4	-44.9	174.6	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.14Å; A322-G325 PolarHBondContact O-N 3.01Å; V323-G325 PolarHBondContact O-N 3.04Å; G325-M328 PolarHBondContact O-N 3.43Å; G325-A329 WeakPolarHBondContact O-CB 3.13Å; G325-A329 PolarHBondContact O-N 2.73Å
326	A	78.5	Confident	75.9	Confident	56 Å²	56	98.6 Å²	98.6	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-63.7	-43.2	176.3	0	0	0	0	0	112.4	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 3Å; V323-A326 PolarHBondContact O-N 3.35Å; A326-A329 PolarHBondContact O-N 2.79Å; A326-V330 WeakPolarHBondContact O-CG2 3.41Å; A326-V330 PolarHBondContact O-N 3.1Å
327	V	80	Confident	74.4	Confident	80 Å²	80	100.5 Å²	100.5	49%	0.485	57%	0.565	S	S	.	*	H	α-helix	trans	-61.7	-45.7	175.3	169.6	0	0	0	0	110.9	V323 L324 A329 V330 V331	V323-V327 WeakPolarHBondContact O-CG2 3.38Å; V323-V327 PolarHBondContact O-N 3.11Å; L324-V327 PolarHBondContact O-N 2.73Å; V327-A329 PolarHBondContact O-N 3.38Å; V327-V330 PolarHBondContact O-N 3.19Å; V327-V331 HydrophobicContact CG1-CG2 4.43Å; V327-V331 WeakPolarHBondContact O-CB 3.3Å; V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.43Å; V327-V331 PolarHBondContact O-N 2.92Å
328	M	75.4	Confident	72.7	Confident	116 Å²	116	101.2 Å²	101.2	57%	0.571	57%	0.574	S	S	*	*	H	α-helix	trans	-62.7	-41.5	177.2	-72.7	-64.6	-71.8	0	0	112.1	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.27Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.16Å; L324-M328 PolarHBondContact O-N 3.45Å; G325-M328 PolarHBondContact O-N 3.43Å; M328-V331 PolarHBondContact O-N 3.13Å; M328-M332 WeakPolarHBondContact O-CB 3.45Å; M328-M332 WeakPolarHBondContact O-CG 3.41Å; M328-M332 PolarHBondContact O-N 2.93Å
329	A	73.8	Confident	70.7	Confident	53 Å²	53	98.9 Å²	98.9	44%	0.438	58%	0.577	S	S	.	*	H	α-helix	trans	-61.6	-45.7	174.4	0	0	0	0	0	112	G325 A326 V327 V331 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.13Å; G325-A329 PolarHBondContact O-N 2.73Å; A326-A329 PolarHBondContact O-N 2.79Å; V327-A329 PolarHBondContact O-N 3.38Å; A329-V331 PolarHBondContact O-N 3.39Å; A329-M332 PolarHBondContact O-N 3.18Å; A329-C333 WeakPolarHBondContact O-CB 3.46Å; A329-C333 PolarHBondContact O-N 2.91Å; A329-C333 PolarHBondContact O-SG 2.93Å
330	V	73.8	Confident	68.3	Low	82 Å²	82	100.2 Å²	100.2	50%	0.497	60%	0.596	S	S	.	*	H	α-helix	trans	-62.9	-40.5	176.1	169.2	0	0	0	0	111.8	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.41Å; A326-V330 PolarHBondContact O-N 3.1Å; V327-V330 PolarHBondContact O-N 3.19Å; V330-C333 PolarHBondContact O-N 3.25Å; V330-R334 WeakPolarHBondContact O-CB 3.31Å; V330-R334 PolarHBondContact O-N 2.78Å
331	V	73.9	Confident	65.9	Low	72 Å²	72	106.3 Å²	106.3	44%	0.436	62%	0.615	S	S	.	*	H	α-helix	trans	-65.9	-41	175.9	169.5	0	0	0	0	111.4	V327 M328 A329 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.43Å; V327-V331 WeakPolarHBondContact O-CB 3.3Å; V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.43Å; V327-V331 PolarHBondContact O-N 2.92Å; M328-V331 PolarHBondContact O-N 3.13Å; A329-V331 PolarHBondContact O-N 3.39Å; V331-R334 PolarHBondContact O-N 3.07Å; V331-R335 PolarHBondContact O-N 3.3Å
332	M	71.9	Confident	63.4	Low	131 Å²	131	105.5 Å²	105.5	65%	0.645	63%	0.631	S	S	*	*	H	α-helix	trans	-66.2	-42.7	174.8	-73.8	-176.3	69.9	0	0	112	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.45Å; M328-M332 WeakPolarHBondContact O-CG 3.41Å; M328-M332 PolarHBondContact O-N 2.93Å; A329-M332 PolarHBondContact O-N 3.18Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 2.86Å; M332-R335 PolarHBondContact O-N 2.98Å; M332-K336 WeakPolarHBondContact O-CB 3.49Å; M332-K336 PolarHBondContact O-N 2.72Å
333	C	62.5	Low	60.9	Low	88 Å²	88	106.3 Å²	106.3	60%	0.595	65%	0.646	S	S	*	*	H	α-helix	trans	-61.1	-39.7	173.5	-75.7	0	0	0	0	112.1	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.46Å; A329-C333 PolarHBondContact O-N 2.91Å; A329-C333 PolarHBondContact O-SG 2.93Å; V330-C333 PolarHBondContact O-N 3.25Å; C333-K336 PolarHBondContact O-N 2.92Å; C333-S337 PolarHBondContact O-N 3.43Å; C333-S337 PolarHBondContact O-OG 2.7Å
334	R	61	Low	58.6	Low	191 Å²	191	107.3 Å²	107.3	72%	0.721	66%	0.658	S	S	*	*	H	α-helix	trans	-68.9	-36.4	174.4	-80.9	-177.1	158.7	171.6	-5	113.6	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.31Å; V330-R334 PolarHBondContact O-N 2.78Å; V331-R334 PolarHBondContact O-N 3.07Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 2.86Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-S337 PolarHBondContact O-OG 3.35Å
335	R	57.7	Low	56.1	Low	210 Å²	210	107.9 Å²	107.9	79%	0.792	67%	0.669	S	S	*	*	H	α-helix	trans	-67.2	-31.4	170.4	-97.6	-176.6	165.9	176.3	-3.8	112.9	V331 M332 S338	V331-R335 PolarHBondContact O-N 3.3Å; M332-R335 PolarHBondContact O-N 2.98Å; R335-S338 PolarHBondContact O-OG 3.22Å
336	K	50.7	Low	53.7	Low	181 Å²	181	110.8 Å²	110.8	79%	0.787	68%	0.682	S	S	*	*	H	α-helix	trans	-83.4	-16.9	-179.9	-162.3	171.3	-178.2	-179.3	0	113.6	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.49Å; M332-K336 PolarHBondContact O-N 2.72Å; C333-K336 PolarHBondContact O-N 2.92Å; R334-K336 VanDerWaalsContact C-N 3.33Å
337	S	50.9	Low	51.5	Low	96 Å²	96	116.6 Å²	116.6	67%	0.671	70%	0.7	S	S	*	*	S	Bend	trans	-95.4	-2.5	176.4	55.9	0	0	0	0	114.8	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.43Å; C333-S337 PolarHBondContact O-OG 2.7Å; R334-S337 PolarHBondContact O-OG 3.35Å; S337-G339 VanDerWaalsContact C-N 3.34Å; S337-G339 PolarHBondContact O-N 3.39Å
338	S	47.9	Very low	49.3	Very low	103 Å²	103	117.8 Å²	117.8	72%	0.72	72%	0.718	S	S	*	*	S	Bend	trans	-91.8	23.5	175.3	70.4	0	0	0	0	114.4	R335	R335-S338 PolarHBondContact O-OG 3.22Å
339	G	42.3	Very low	47.2	Very low	64 Å²	64	118.3 Å²	118.3	66%	0.66	73%	0.728	S	S	*	*	S	Bend	trans	-170.7	121.5	177.8	0	0	0	0	0	114.3	S337	S337-G339 VanDerWaalsContact C-N 3.34Å; S337-G339 PolarHBondContact O-N 3.39Å
340	G	35.7	Very low	45.3	Very low	85 Å²	85	120.8 Å²	120.8	88%	0.876	74%	0.742	S	S	*	*			trans	112.8	126.2	174.6	0	0	0	0	0	114
341	K	34.1	Very low	43.3	Very low	219 Å²	219	122.4 Å²	122.4	95%	0.952	76%	0.757	S	S	*	*			trans	-142	124.2	-179	-179.4	-179.7	178.5	178.2	0	110.3
342	G	32.8	Very low	41.4	Very low	86 Å²	86	126.7 Å²	126.7	89%	0.887	78%	0.777	S	S	*	*			trans	121.6	142.5	169.7	0	0	0	0	0	115.1
343	G	30.3	Very low	39.9	Very low	82 Å²	82	126.1 Å²	126.1	85%	0.845	79%	0.786	S	S	*	*			trans	144.9	137	176.3	0	0	0	0	0	112.7
344	S	33.4	Very low	38.6	Very low	117 Å²	117	126.5 Å²	126.5	82%	0.818	80%	0.796	S	S	*	*			trans	-165	155.1	-174.3	-168.1	0	0	0	0	110.3
345	C	29.7	Very low	37.5	Very low	113 Å²	113	127.1 Å²	127.1	76%	0.764	81%	0.807	S	S	*	*			cis	-112.8	-107.2	1.6	-169.4	0	0	0	0	111.9
346	S	32.2	Very low	36.2	Very low	101 Å²	101	120.4 Å²	120.4	71%	0.706	80%	0.803	S	S	*	*			cis	-149.2	172.8	4.2	-67.9	0	0	0	0	111.9
347	Q	32.6	Very low	35.6	Very low	178 Å²	178	117.9 Å²	117.9	83%	0.832	81%	0.809	S	S	*	*			trans	-32.3	137	178.2	-73.6	158.6	-76	0	0	117.5
348	A	33	Very low	34.8	Very low	105 Å²	105	120.9 Å²	120.9	87%	0.868	82%	0.817	S	S	*	*			trans	-97	134.8	152.8	0	0	0	0	0	109.9
349	V	30.9	Very low	34.1	Very low	128 Å²	128	125 Å²	125	78%	0.776	83%	0.825	S	S	*	*			trans	-136.7	152	174.1	174.4	0	0	0	0	108.8
350	S	33.4	Very low	33.6	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	83%	0.831	S	S	*	*			trans	-88.2	141.3	-164.1	55	0	0	0	0	116.7
351	S	32.8	Very low	33.4	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	83%	0.832	S	S	*	*				-173.2	139.8	128.7	43.6	0	0	0	0	109.2
352	N	33.9	Very low	33.5	Very low	161 Å²	161	128.4 Å²	128.4	86%	0.861	83%	0.825	S	S	*	*			cis	85	81.6	40.9	-89.7	17.1	0	0	0	116.5
353	S	39.7	Very low	33.4	Very low	119 Å²	119	128.8 Å²	128.8	83%	0.832	82%	0.819	S	S	*	*			trans	-167.9	133	139.7	44.1	0	0	0	0	108.5
354	A	36.2	Very low	33.4	Very low	97 Å²	97	130.7 Å²	130.7	80%	0.802	82%	0.818	S	S	*	*			cis	99.9	71.2	12.8	0	0	0	0	0	116.5
355	Q	37.7	Very low	33.5	Very low	203 Å²	203	135.1 Å²	135.1	95%	0.949	82%	0.823	S	S	*	*			trans	-167.2	140.4	152.5	-107.6	167.2	-9.7	0	0	108
356	G	30.4	Very low	33.8	Very low	70 Å²	70	138.1 Å²	138.1	72%	0.722	86%	0.856	S	S	*	*			cis	139	91.9	-8.7	0	0	0	0	0	112.9
357	S	37.6	Very low	33.9	Very low	128 Å²	128	140 Å²	140	90%	0.895	86%	0.863	S	S	*	*			trans	-162.3	115.2	165.5	-75.6	0	0	0	0	109.4
358	D	35.2	Very low	33.9	Very low	159 Å²	159	137.9 Å²	137.9	85%	0.85	87%	0.865	S	S	*	*			trans	-92.8	150.1	171.6	-68.6	-69.6	0	0	0	111.1
359	E	31.4	Very low	34	Very low	188 Å²	188	139.8 Å²	139.8	88%	0.879	87%	0.865	S	S	*	*				168.4	124.1	111.8	-91.1	-153	107.4	0	0	111.5
360	S	31.7	Very low	34.2	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	87%	0.87	S	S	*	*			trans	166.9	106	130.5	41.7	0	0	0	0	111.2
361	L	32.5	Very low	34.2	Very low	170 Å²	170	142.7 Å²	142.7	89%	0.89	88%	0.878	S	S	*	*			trans	171.2	109.1	143.5	-98.2	164.9	0	0	0	109.9
362	I	35	Very low	34.3	Very low	157 Å²	157	144.5 Å²	144.5	81%	0.805	88%	0.883	S	S	*	*			trans	-116.9	114.7	155.9	-67.1	-179.4	0	0	0	107.1
363	A	31.9	Very low	34.3	Very low	94 Å²	94	143.3 Å²	143.3	78%	0.777	88%	0.884	S	S	*	*			trans	-95.9	125.8	161	0	0	0	0	0	108.1
364	C	31.1	Very low	33.9	Very low	122 Å²	122	145.2 Å²	145.2	82%	0.824	89%	0.888	S	S	*	*			trans	-103.9	139.4	165.3	-79.6	0	0	0	0	109.3
365	K	34.2	Very low	33.7	Very low	210 Å²	210	149.2 Å²	149.2	91%	0.913	90%	0.896	S	S	*	*			trans	-141.3	113.8	177.3	-174.6	-175.1	-177.6	-176.8	0	109.5
366	A	35.9	Very low	33.4	Very low	176 Å²	176	144.3 Å²	144.3	100%	1.455	89%	0.891	S	S	*	*			trans	-149.1	0	163.7	0	0	0	0	0	106.5

Retrieved 366 of 366 residues in 502.4 ms (Link to these results)

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