A0A090KF68_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KF68, 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	34.6	Very low	42.1	Very low	246 Å²	246	152.5 Å²	152.5	100%	1.212	77%	0.774	S	S	*	*				0	135.9	0	-69	149.7	169.2	0	0	108.4
2	R	32.6	Very low	42.3	Very low	249 Å²	249	152 Å²	152	94%	0.94	77%	0.773	S	S	*	*			trans	-107.1	118.7	165.4	-90.2	-177.9	169.8	164.4	-3.1	107.2	M4	R2-M4 PolarHBondContact O-N 3.09Å
3	V	35.9	Very low	42	Very low	144 Å²	144	148.3 Å²	148.3	87%	0.873	76%	0.756	S	S	*	*			trans	-74.6	118.9	172.2	179.3	0	0	0	0	107.3
4	M	38.7	Very low	42	Very low	180 Å²	180	142 Å²	142	89%	0.887	73%	0.732	S	S	*	*			trans	-95.7	100	180	-167.3	170.3	69	0	0	108.7	R2	R2-M4 PolarHBondContact O-N 3.09Å
5	A	41.2	Very low	42	Very low	76 Å²	76	135.1 Å²	135.1	63%	0.628	71%	0.709	S	S	*	*			trans	-63.4	142.3	179.5	0	0	0	0	0	111.4	R7	A5-R7 PolarHBondContact O-N 3.24Å; A5-R7 VanDerWaalsContact O-N 3.12Å
6	P	43.2	Very low	42.1	Very low	91 Å²	91	130.1 Å²	130.1	59%	0.591	69%	0.694	S	S	*	*			trans	-71.2	107.6	-176.6	28.3	-34.1	0	0	0	111.2	T8 L9	P6-T8 PolarHBondContact O-N 2.68Å; P6-T8 VanDerWaalsContact O-N 3.11Å; P6-L9 PolarHBondContact O-N 3.22Å
7	R	50.3	Low	41.9	Very low	221 Å²	221	128.7 Å²	128.7	83%	0.834	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-13.5	179	-81.9	179.1	162.3	156.4	-6.8	114.7	A5	A5-R7 PolarHBondContact O-N 3.24Å; A5-R7 VanDerWaalsContact O-N 3.12Å
8	T	51.1	Low	41.8	Very low	106 Å²	106	124.6 Å²	124.6	65%	0.65	67%	0.672	S	S	*	*	H	α-helix	trans	-70.2	-30.2	-179.3	38.2	0	0	0	0	113.9	P6 I10	P6-T8 PolarHBondContact O-N 2.68Å; P6-T8 VanDerWaalsContact O-N 3.11Å; T8-I10 VanDerWaalsContact C-N 3.32Å; T8-I10 PolarHBondContact O-N 3.02Å
9	L	44	Very low	41.7	Very low	120 Å²	120	123.2 Å²	123.2	63%	0.628	66%	0.664	S	S	*	*	H	α-helix	trans	-71.4	-27.2	-176.5	-136.8	86.6	0	0	0	113.4	P6	P6-L9 PolarHBondContact O-N 3.22Å
10	I	45.4	Very low	41.5	Very low	111 Å²	111	121 Å²	121	57%	0.569	66%	0.655	S	S	*	*	H	α-helix	trans	-72	-37	-173.2	-61.8	175.2	0	0	0	111.1	T8 L13 S14	T8-I10 VanDerWaalsContact C-N 3.32Å; T8-I10 PolarHBondContact O-N 3.02Å; I10-L13 PolarHBondContact O-N 3.24Å; I10-S14 PolarHBondContact O-N 3.3Å; I10-S14 PolarHBondContact O-OG 3.28Å
11	L	46.4	Very low	41.4	Very low	134 Å²	134	123 Å²	123	70%	0.702	66%	0.66	S	S	*	*	H	α-helix	trans	-68.7	-36.2	-174.1	-73.3	167	0	0	0	113.6	S14 G15	L11-S14 WeakPolarHBondContact O-CB 3.42Å; L11-S14 PolarHBondContact O-N 3.41Å; L11-G15 PolarHBondContact O-N 2.9Å; L11-G15 VanDerWaalsContact O-N 3.12Å
12	L	43.9	Very low	41.8	Very low	146 Å²	146	115.4 Å²	115.4	76%	0.764	63%	0.628	S	S	*	*	H	α-helix	trans	-69.1	-41.7	177.4	-69.7	170	0	0	0	111.4	S14 G15 A16	L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 2.9Å; L12-G15 PolarHBondContact O-N 3.01Å; L12-A16 PolarHBondContact O-N 2.93Å
13	L	38.9	Very low	42.5	Very low	104 Å²	104	106.1 Å²	106.1	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-63.4	-37.1	172.2	-74.5	165.4	0	0	0	111.9	I10 G15 A16 L17	I10-L13 PolarHBondContact O-N 3.24Å; L13-G15 VanDerWaalsContact C-N 3.34Å; L13-G15 PolarHBondContact O-N 2.88Å; L13-A16 PolarHBondContact O-N 3.29Å; L13-L17 VanDerWaalsContact O-CB 3.32Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.12Å
14	S	41.5	Very low	43.4	Very low	60 Å²	60	102.1 Å²	102.1	42%	0.42	57%	0.574	S	S	.	*	H	α-helix	trans	-61.5	-39.5	174.1	-57.6	0	0	0	0	112.8	I10 L11 L12 A18	I10-S14 PolarHBondContact O-N 3.3Å; I10-S14 PolarHBondContact O-OG 3.28Å; L11-S14 WeakPolarHBondContact O-CB 3.42Å; L11-S14 PolarHBondContact O-N 3.41Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 2.9Å; S14-A18 WeakPolarHBondContact O-CB 3.38Å; S14-A18 PolarHBondContact O-N 2.8Å
15	G	42.5	Very low	45.2	Very low	38 Å²	38	94.8 Å²	94.8	39%	0.392	55%	0.545	S	S	.	.	H	α-helix	trans	-65.9	-44.8	178.3	0	0	0	0	0	113	L11 L12 L13 L19	L11-G15 PolarHBondContact O-N 2.9Å; L11-G15 VanDerWaalsContact O-N 3.12Å; L12-G15 PolarHBondContact O-N 3.01Å; L13-G15 VanDerWaalsContact C-N 3.34Å; L13-G15 PolarHBondContact O-N 2.88Å; G15-L19 PolarHBondContact O-N 3.3Å
16	A	43.8	Very low	47.5	Very low	56 Å²	56	93.6 Å²	93.6	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-66.1	-46.6	176.6	0	0	0	0	0	112.1	L12 L13 A18 L19 T20	L12-A16 PolarHBondContact O-N 2.93Å; L13-A16 PolarHBondContact O-N 3.29Å; A16-A18 PolarHBondContact O-N 2.89Å; A16-L19 PolarHBondContact O-N 2.69Å; A16-T20 PolarHBondContact O-N 3.49Å; A16-T20 PolarHBondContact O-OG1 2.85Å
17	L	38.7	Very low	50	Low	106 Å²	106	90.9 Å²	90.9	56%	0.555	51%	0.512	S	S	*	.	H	α-helix	trans	-64.1	-41.2	-179.4	-75.5	166.3	0	0	0	112.5	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.32Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.12Å; L17-L19 PolarHBondContact O-N 2.8Å; L17-T20 WeakPolarHBondContact CA-OG1 3.2Å; L17-T20 PolarHBondContact O-N 3.38Å; L17-T20 VanDerWaalsContact O-N 3.15Å; L17-T20 PolarHBondContact O-OG1 3.33Å; L17-E21 PolarHBondContact O-N 3.34Å
18	A	40.2	Very low	52.2	Low	54 Å²	54	81.3 Å²	81.3	45%	0.446	48%	0.479	S	S	.	.	H	α-helix	trans	-64.3	-28.7	177.3	0	0	0	0	0	113	S14 A16 T22	S14-A18 WeakPolarHBondContact O-CB 3.38Å; S14-A18 PolarHBondContact O-N 2.8Å; A16-A18 PolarHBondContact O-N 2.89Å; A18-T22 WeakPolarHBondContact O-CG2 3.2Å; A18-T22 PolarHBondContact O-OG1 3.33Å
19	L	38.9	Very low	54.5	Low	98 Å²	98	76.2 Å²	76.2	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-77.9	-34.8	172	-82.8	163.1	0	0	0	112.3	G15 A16 L17 T22 W23	G15-L19 PolarHBondContact O-N 3.3Å; A16-L19 PolarHBondContact O-N 2.69Å; L17-L19 PolarHBondContact O-N 2.8Å; L19-T22 PolarHBondContact O-OG1 2.91Å; L19-T22 VanDerWaalsContact O-OG1 3.14Å; L19-W23 PolarHBondContact O-NE1 2.8Å
20	T	39	Very low	57.1	Low	79 Å²	79	73 Å²	73	49%	0.485	43%	0.427	S	S	.	.	H	α-helix	trans	-70.6	-32.1	174.7	51.2	0	0	0	0	113.4	A16 L17	A16-T20 PolarHBondContact O-N 3.49Å; A16-T20 PolarHBondContact O-OG1 2.85Å; L17-T20 WeakPolarHBondContact CA-OG1 3.2Å; L17-T20 PolarHBondContact O-N 3.38Å; L17-T20 VanDerWaalsContact O-N 3.15Å; L17-T20 PolarHBondContact O-OG1 3.33Å
21	E	37.7	Very low	59.6	Low	163 Å²	163	68.3 Å²	68.3	76%	0.762	40%	0.402	S	S	*	.	H	α-helix	trans	-72.9	-22.6	177.1	-88	-169.1	139.2	0	0	113.9	L17	L17-E21 PolarHBondContact O-N 3.34Å
22	T	44	Very low	62.1	Low	87 Å²	87	66 Å²	66	53%	0.534	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-10	-175.4	48.2	0	0	0	0	115.1	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.2Å; A18-T22 PolarHBondContact O-OG1 3.33Å; L19-T22 PolarHBondContact O-OG1 2.91Å; L19-T22 VanDerWaalsContact O-OG1 3.14Å
23	W	46.6	Very low	64.7	Low	55 Å²	55	59.2 Å²	59.2	21%	0.208	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-52.2	-174.7	-66.9	42.4	0	0	0	111.3	L19 G25 S26 E236 E288	L19-W23 PolarHBondContact O-NE1 2.8Å; W23-G25 PolarHBondContact O-N 2.93Å; W23-S26 PolarHBondContact O-N 2.96Å; W23-S26 PolarHBondContact O-OG 2.84Å; W23-E236 HydrophobicContact CH2-CB 4.26Å; W23-E236 HydrophobicContact CH2-CG 3.58Å; W23-E236 HydrophobicContact CZ2-CG 3.99Å; W23-E236 HydrophobicContact CZ3-CB 4.07Å; W23-E236 HydrophobicContact CZ3-CG 3.87Å; W23-E236 WeakPolarHBondContact CZ3-O 3.38Å; W23-E288 HydrophobicContact CE3-CB 4.36Å
24	A	55.4	Low	67.5	Low	59 Å²	59	56.5 Å²	56.5	49%	0.488	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	102.8	-171.5	0	0	0	0	0	113.6	P129 E288	A24-P129 WeakPolarHBondContact O-CG 3.46Å; A24-E288 WeakPolarHBondContact CA-OE1 3.5Å
25	G	75.6	Confident	70.2	Confident	27 Å²	27	53.8 Å²	53.8	28%	0.278	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	18.2	174.6	0	0	0	0	0	116.3	W23 P129	W23-G25 PolarHBondContact O-N 2.93Å; G25-P129 WeakPolarHBondContact O-CA 3.34Å
26	S	90.2	Very high	72.9	Confident	51 Å²	51	54.1 Å²	54.1	36%	0.357	32%	0.315	S	S	.	.			trans	-83	140.7	160.4	76.8	0	0	0	0	110.1	W23 L127	W23-S26 PolarHBondContact O-N 2.96Å; W23-S26 PolarHBondContact O-OG 2.84Å; S26-L127 WeakPolarHBondContact CA-O 3.13Å
27	H	94.9	Very high	75.3	Confident	33 Å²	33	52.4 Å²	52.4	15%	0.153	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.3	-174.6	-69.9	-73.1	0	0	0	112	D53 D126 L127 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.32Å; H27-D53 IonicContact CE1-OD2 3.51Å; H27-D53 IonicContact CG-OD2 3.86Å; H27-D53 IonicContact ND1-OD2 2.66Å; H27-D53 PolarHBondContact ND1-OD2 3.32Å; H27-D126 CarbonylContact O-C 3.49Å; H27-D126 WeakPolarHBondContact O-CA 3.4Å; H27-L127 PolarHBondContact N-O 2.59Å; H27-L127 PolarHBondContact O-N 3.44Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.47Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.33Å
28	S	97.3	Very high	77.6	Confident	20 Å²	20	54.1 Å²	54.1	14%	0.14	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.8	-174.8	67.2	0	0	0	0	112.5	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; S28-D53 PolarHBondContact N-OD1 2.72Å; S28-D53 PolarHBondContact O-N 2.91Å; S28-D53 PolarHBondContact OG-OD1 2.94Å; S28-C125 WeakPolarHBondContact CA-O 3.5Å; S28-D126 WeakPolarHBondContact CB-OD1 3.28Å
29	M	98.5	Very high	79.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.3	168.4	-179	173.5	59.1	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CD2 4.48Å; M29-Y31 HydrophobicContact CG-CE2 4.03Å; M29-Y31 HydrophobicContact SD-CE2 3.87Å; M29-Y51 WeakPolarHBondContact CA-O 3.38Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.33Å; M29-G124 CarbonylContact O-C 3.5Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; M29-C125 PolarHBondContact N-O 3.37Å; M29-C125 PolarHBondContact O-N 2.95Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.39Å; M29-C188 WeakPolarHBondContact CE-SG 3.39Å; M29-W191 HydrophobicContact CE-CB 4.18Å; M29-L192 HydrophobicContact CB-CB 3.98Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.19Å; M29-L192 HydrophobicContact CE-CB 4.23Å; M29-L192 HydrophobicContact SD-CB 4.45Å; M29-Y195 HydrophobicContact SD-CD2 3.78Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	R	98.6	Very high	81.4	Confident	51 Å²	51	53.3 Å²	53.3	19%	0.192	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.3	-172.6	-55.1	-63.6	-171.3	70.8	-1.4	110.2	F32 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CE2 3.7Å; R30-F32 HydrophobicContact CB-CZ 4.04Å; R30-Y51 PolarHBondContact N-O 2.83Å; R30-Y51 PolarHBondContact O-N 3.41Å; R30-D126 IonicContact CZ-OD1 3.66Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 3.23Å; R30-D126 IonicContact NE-OD1 3.45Å; R30-D126 PolarHBondContact NE-OD1 2.81Å; R30-D126 IonicContact NH2-OD1 3.77Å; R30-D126 PolarHBondContact NH2-OD1 3.44Å; R30-D126 IonicContact NH2-OD2 2.8Å; R30-D126 PolarHBondContact NH2-OD2 2.92Å; R30-Y137 PolarHBondContact NH2-OH 3Å
31	Y	98.7	Very high	83.4	Confident	14 Å²	14	59 Å²	59	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.8	172.1	-71.3	-86.3	0	0	0	110	M29 V49 F57 V58 M122 F123	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CD2 4.48Å; M29-Y31 HydrophobicContact CG-CE2 4.03Å; M29-Y31 HydrophobicContact SD-CE2 3.87Å; Y31-V49 WeakPolarHBondContact CA-O 3.37Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 AromaticContact CZ-CZ 3.83Å; Y31-V58 HydrophobicContact CE1-CG1 4.07Å; Y31-M122 WeakPolarHBondContact O-CA 3.21Å; Y31-F123 VanDerWaalsContact CB-CE1 3.47Å; Y31-F123 VanDerWaalsContact CB-CZ 3.49Å; Y31-F123 HydrophobicContact CD2-CD2 4.44Å; Y31-F123 AromaticContact CD2-CE2 3.77Å; Y31-F123 HydrophobicContact CD2-CE2 3.77Å; Y31-F123 AromaticContact CD2-CZ 3.94Å; Y31-F123 HydrophobicContact CD2-CZ 3.94Å; Y31-F123 HydrophobicContact CG-CE1 4.28Å; Y31-F123 HydrophobicContact CG-CE2 4.1Å; Y31-F123 AromaticContact CG-CZ 3.79Å; Y31-F123 HydrophobicContact CG-CZ 3.79Å; Y31-F123 PolarHBondContact N-O 3.46Å; Y31-F123 PolarHBondContact O-N 3.39Å
32	F	98.8	Very high	85.7	Confident	84 Å²	84	54 Å²	54	37%	0.368	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.1	175.5	-54.7	-97.7	0	0	0	108.8	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CE2 3.7Å; R30-F32 HydrophobicContact CB-CZ 4.04Å; F32-A48 CarbonylContact O-C 3.59Å; F32-A48 VanDerWaalsContact O-CA 3.32Å; F32-A48 WeakPolarHBondContact O-CA 3.5Å; F32-V49 HydrophobicContact CB-CG2 3.91Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.33Å; F32-V49 PolarHBondContact O-N 3.21Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.1Å; F32-R121 WeakPolarHBondContact CA-O 3.38Å; F32-M122 HydrophobicContact CD1-CB 3.95Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 4.05Å
33	S	98.6	Very high	87.9	Confident	5 Å²	5	54.9 Å²	54.9	4%	0.035	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.9	171	63	0	0	0	0	111.8	I47 Q120 R121	S33-I47 CarbonylContact C-O 3.54Å; S33-I47 VanDerWaalsContact CA-O 3.27Å; S33-I47 WeakPolarHBondContact CA-O 3.38Å; S33-Q120 CarbonylContact O-C 3.59Å; S33-Q120 WeakPolarHBondContact O-CA 3.35Å; S33-R121 PolarHBondContact N-O 3.04Å; S33-R121 PolarHBondContact O-N 3.44Å
34	T	98.8	Very high	90.1	Very high	47 Å²	47	53.4 Å²	53.4	29%	0.288	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.5	-177.4	-57.2	0	0	0	0	109.4	V36 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 4Å; T34-I47 PolarHBondContact N-O 2.97Å; T34-I47 PolarHBondContact O-N 2.92Å; T34-T118 HydrophobicContact CG2-CG2 3.95Å; T34-Q120 HydrophobicContact CG2-CG 3.94Å
35	S	98.4	Very high	92.1	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.8	-179.5	-70.8	0	0	0	0	110	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.55Å; S35-R45 VanDerWaalsContact CA-O 3.3Å; S35-R45 WeakPolarHBondContact CA-O 3.38Å; S35-F46 VanDerWaalsContact OG-CD2 3.3Å; S35-F46 WeakPolarHBondContact OG-CD2 3.31Å; S35-D98 WeakPolarHBondContact OG-CB 3.2Å; S35-D98 PolarHBondContact OG-OD2 3.48Å; S35-T118 WeakPolarHBondContact O-CA 3.39Å; S35-L119 PolarHBondContact N-O 3.05Å; S35-L119 PolarHBondContact O-N 2.84Å
36	V	97.6	Very high	93.2	Very high	45 Å²	45	54 Å²	54	27%	0.273	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.3	-177.4	-173.2	0	0	0	0	110	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4Å; V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.47Å; V36-R45 PolarHBondContact N-O 2.89Å; V36-R45 PolarHBondContact O-N 2.85Å; V36-H117 WeakPolarHBondContact CA-O 3.19Å; V36-T118 HydrophobicContact CG2-CG2 4.29Å
37	S	94.6	Very high	93.6	Very high	20 Å²	20	54 Å²	54	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.9	174.1	56.7	0	0	0	0	111.2	P39 S116 H117	S37-P39 WeakPolarHBondContact O-CD 3.44Å; S37-S116 WeakPolarHBondContact O-CA 3.27Å; S37-S116 PolarHBondContact O-OG 3.31Å; S37-H117 PolarHBondContact N-O 3.34Å; S37-H117 PolarHBondContact O-N 3.01Å; S37-H117 PolarHBondContact OG-N 3.35Å; S37-H117 PolarHBondContact OG-O 3.22Å
38	W	87.9	Confident	93.8	Very high	142 Å²	142	52.7 Å²	52.7	54%	0.538	28%	0.283	S	S	.	.			trans	-115.9	98.8	174.3	-158.3	-51.3	0	0	0	111.3	G40 R41	W38-G40 PolarHBondContact O-N 3.33Å; W38-R41 HydrophobicContact CB-CB 4.15Å; W38-R41 VanDerWaalsContact CD1-CG 3.49Å; W38-R41 HydrophobicContact CG-CB 3.97Å; W38-R41 HydrophobicContact CG-CG 4.13Å; W38-R41 PolarHBondContact O-N 2.93Å; W38-R41 VanDerWaalsContact O-N 3.1Å
39	P	80.4	Confident	93.8	Very high	46 Å²	46	53.1 Å²	53.1	30%	0.299	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	134.5	178	-29.3	37.7	0	0	0	112.9	S37 R41 E113 G115	S37-P39 WeakPolarHBondContact O-CD 3.44Å; P39-R41 PolarHBondContact O-N 3.45Å; P39-E113 WeakPolarHBondContact CG-O 3.25Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å
40	G	78	Confident	93.8	Very high	90 Å²	90	53.1 Å²	53.1	93%	0.928	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	0.2	-178.5	0	0	0	0	0	116.3	W38	W38-G40 PolarHBondContact O-N 3.33Å
41	R	81.7	Confident	93.8	Very high	198 Å²	198	54 Å²	54	75%	0.747	29%	0.288	S	S	*	.	S	Bend	trans	-112.8	2.3	177.1	-67.2	-163.4	-179.9	-152.3	-1.3	115.6	W38 P39	W38-R41 HydrophobicContact CB-CB 4.15Å; W38-R41 VanDerWaalsContact CD1-CG 3.49Å; W38-R41 HydrophobicContact CG-CB 3.97Å; W38-R41 HydrophobicContact CG-CG 4.13Å; W38-R41 PolarHBondContact O-N 2.93Å; W38-R41 VanDerWaalsContact O-N 3.1Å; P39-R41 PolarHBondContact O-N 3.45Å
42	G	84.2	Confident	93.8	Very high	58 Å²	58	53.3 Å²	53.3	60%	0.598	29%	0.286	S	S	*	.	S	Bend	trans	126.4	-141.4	174.7	0	0	0	0	0	112
43	E	90.3	Very high	93.6	Very high	105 Å²	105	50.9 Å²	50.9	49%	0.491	28%	0.276	S	S	.	.	S	Bend	trans	-86.3	161.5	175.6	-61.3	-57.9	170.8	0	0	111.8	R45 R99 R103	E43-R45 PolarHBondContact O-N 3.41Å; E43-R99 VanDerWaalsContact CD-CZ 3.5Å; E43-R99 IonicContact OE1-CZ 3.11Å; E43-R99 VanDerWaalsContact OE1-CZ 3.31Å; E43-R99 IonicContact OE1-NE 2.83Å; E43-R99 IonicContact OE1-NH2 2.74Å; E43-R99 PolarHBondContact OE1-NH2 3.15Å; E43-R99 IonicContact OE2-CZ 3.4Å; E43-R99 VanDerWaalsContact OE2-CZ 3.31Å; E43-R99 IonicContact OE2-NE 3.87Å; E43-R99 PolarHBondContact OE2-NE 3.36Å; E43-R99 IonicContact OE2-NH2 2.72Å; E43-R99 PolarHBondContact OE2-NH2 3.03Å; E43-R103 IonicContact OE2-NH2 3.47Å; E43-R103 PolarHBondContact OE2-NH2 3.12Å
44	P	94.4	Very high	93.5	Very high	24 Å²	24	53.5 Å²	53.5	16%	0.156	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-60	129.2	173.7	-23.3	35.4	0	0	0	111.7	V36 F46 R99 L102	V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.47Å; P44-F46 PolarHBondContact O-N 3.33Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.31Å; P44-L102 HydrophobicContact CB-CD1 3.66Å; P44-L102 HydrophobicContact CG-CD1 3.83Å
45	R	96.9	Very high	93.3	Very high	96 Å²	96	52.1 Å²	52.1	36%	0.362	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.2	173.2	178.1	176.8	-167.4	170.9	-5.3	109.1	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.55Å; S35-R45 VanDerWaalsContact CA-O 3.3Å; S35-R45 WeakPolarHBondContact CA-O 3.38Å; V36-R45 PolarHBondContact N-O 2.89Å; V36-R45 PolarHBondContact O-N 2.85Å; E43-R45 PolarHBondContact O-N 3.41Å; R45-I47 HydrophobicContact CG-CG1 4.16Å; R45-D61 IonicContact CZ-OD1 3.65Å; R45-D61 VanDerWaalsContact CZ-OD1 3.32Å; R45-D61 IonicContact CZ-OD2 3.31Å; R45-D61 IonicContact NE-OD1 2.73Å; R45-D61 PolarHBondContact NE-OD1 3.32Å; R45-D61 IonicContact NE-OD2 3.31Å; R45-D61 IonicContact NH2-OD1 3.9Å; R45-D61 PolarHBondContact NH2-OD1 2.92Å; R45-D61 IonicContact NH2-OD2 3.27Å; R45-D61 PolarHBondContact NH2-OD2 2.88Å; R45-S62 WeakPolarHBondContact CA-OG 3.49Å; R45-S62 WeakPolarHBondContact CG-OG 3.39Å; R45-D63 WeakPolarHBondContact CD-OD2 3.36Å; R45-D63 WeakPolarHBondContact CG-OD1 3.45Å; R45-D63 IonicContact CZ-OD2 3.82Å; R45-D63 IonicContact NE-OD2 3.63Å; R45-D63 PolarHBondContact NE-OD2 2.98Å; R45-D63 IonicContact NH1-OD2 3.43Å
46	F	98.4	Very high	93.3	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.013	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.7	175.2	176.6	-86.9	0	0	0	109.5	S35 P44 A48 F60 S62 Y91 Q94 A95	S35-F46 VanDerWaalsContact OG-CD2 3.3Å; S35-F46 WeakPolarHBondContact OG-CD2 3.31Å; P44-F46 PolarHBondContact O-N 3.33Å; F46-A48 HydrophobicContact CE1-CB 3.61Å; F46-A48 HydrophobicContact CZ-CB 3.79Å; F46-F60 AromaticContact CD1-CD1 3.63Å; F46-F60 HydrophobicContact CD1-CD1 3.63Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 3.85Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; F46-S62 PolarHBondContact N-OG 3.5Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 2.91Å; F46-Y91 HydrophobicContact CE1-CD1 4.18Å; F46-Y91 HydrophobicContact CZ-CD1 4.47Å; F46-Q94 HydrophobicContact CE2-CB 3.94Å; F46-Q94 HydrophobicContact CE2-CG 3.55Å; F46-Q94 HydrophobicContact CZ-CB 3.87Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; F46-A95 HydrophobicContact CB-CB 3.58Å; F46-A95 HydrophobicContact CD1-CB 3.94Å; F46-A95 HydrophobicContact CD2-CB 3.87Å; F46-A95 HydrophobicContact CG-CB 3.52Å
47	I	98.6	Very high	93.3	Very high	52 Å²	52	52.4 Å²	52.4	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.1	169.6	-55.5	178.6	0	0	0	107.6	S33 T34 R45 F60	S33-I47 CarbonylContact C-O 3.54Å; S33-I47 VanDerWaalsContact CA-O 3.27Å; S33-I47 WeakPolarHBondContact CA-O 3.38Å; T34-I47 PolarHBondContact N-O 2.97Å; T34-I47 PolarHBondContact O-N 2.92Å; R45-I47 HydrophobicContact CG-CG1 4.16Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å
48	A	98.6	Very high	93.4	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.1	167.6	0	0	0	0	0	111.2	F32 F46 R59 F60 Y91	F32-A48 CarbonylContact O-C 3.59Å; F32-A48 VanDerWaalsContact O-CA 3.32Å; F32-A48 WeakPolarHBondContact O-CA 3.5Å; F46-A48 HydrophobicContact CE1-CB 3.61Å; F46-A48 HydrophobicContact CZ-CB 3.79Å; A48-R59 CarbonylContact O-C 3.38Å; A48-R59 WeakPolarHBondContact O-CA 3.39Å; A48-F60 HydrophobicContact CB-CB 4.4Å; A48-F60 PolarHBondContact N-O 3.02Å; A48-F60 PolarHBondContact O-N 3.35Å; A48-Y91 HydrophobicContact CB-CD1 3.66Å; A48-Y91 HydrophobicContact CB-CE1 3.61Å
49	V	98.8	Very high	93.9	Very high	30 Å²	30	48.8 Å²	48.8	18%	0.182	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.8	176.1	-63.4	0	0	0	0	109.5	Y31 F32 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.37Å; F32-V49 HydrophobicContact CB-CG2 3.91Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.33Å; F32-V49 PolarHBondContact O-N 3.21Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.39Å; V49-R59 HydrophobicContact CG1-CG 4.36Å
50	G	98.5	Very high	94.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.7	175.5	0	0	0	0	0	110.5	F57 V58	G50-F57 VanDerWaalsContact C-CD1 3.43Å; G50-F57 VanDerWaalsContact C-CE1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 3.4Å; G50-V58 PolarHBondContact N-O 2.93Å; G50-V58 PolarHBondContact O-N 3.46Å
51	Y	98.4	Very high	95.8	Very high	68 Å²	68	43.1 Å²	43.1	27%	0.267	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.2	-179.1	-75.8	-104.1	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.38Å; R30-Y51 PolarHBondContact N-O 2.83Å; R30-Y51 PolarHBondContact O-N 3.41Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.1Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; Y51-T55 VanDerWaalsContact CA-O 3.29Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 HydrophobicContact CD2-CB 4.47Å; Y51-Q56 HydrophobicContact CD2-CG 4.22Å; Y51-Q56 HydrophobicContact CE1-CB 3.57Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.42Å
52	V	97.9	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.3	155.5	175.9	0	0	0	0	105.5	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; V52-D54 PolarHBondContact O-N 2.95Å; V52-T55 PolarHBondContact N-O 3Å; V52-T55 WeakPolarHBondContact O-CB 3.25Å; V52-T55 PolarHBondContact O-N 3.49Å; V52-F57 HydrophobicContact CG2-CD1 3.91Å; V52-F57 HydrophobicContact CG2-CE1 3.91Å; V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CG2-CH2 3.94Å; V52-L192 HydrophobicContact CG1-CD1 3.63Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.84Å; V52-Y195 HydrophobicContact CG2-CG 4.38Å; V52-L196 HydrophobicContact CG1-CD2 4.03Å; V52-L203 HydrophobicContact CB-CD1 4.33Å; V52-L203 HydrophobicContact CB-CD2 4.25Å; V52-L203 HydrophobicContact CG1-CD1 3.94Å; V52-L203 HydrophobicContact CG1-CD2 4.15Å
53	D	95.4	Very high	97	Very high	33 Å²	33	37.3 Å²	37.3	18%	0.176	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-127.7	-166.7	-55.3	-45.1	0	0	0	111	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.32Å; H27-D53 IonicContact CE1-OD2 3.51Å; H27-D53 IonicContact CG-OD2 3.86Å; H27-D53 IonicContact ND1-OD2 2.66Å; H27-D53 PolarHBondContact ND1-OD2 3.32Å; S28-D53 PolarHBondContact N-OD1 2.72Å; S28-D53 PolarHBondContact O-N 2.91Å; S28-D53 PolarHBondContact OG-OD1 2.94Å; D53-T55 VanDerWaalsContact C-N 3.31Å
54	D	95.2	Very high	97.3	Very high	60 Å²	60	34 Å²	34	32%	0.321	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-3.9	177.8	-67.9	-59.8	0	0	0	114	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.95Å; D54-Y233 HydrophobicContact CB-CE2 3.96Å; D54-P234 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 VanDerWaalsContact CG-CB 3.43Å; D54-A235 WeakPolarHBondContact OD1-CB 3.27Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 3.35Å; D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.8Å
55	T	95.9	Very high	97.3	Very high	18 Å²	18	38.5 Å²	38.5	11%	0.11	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.1	-174	-61.8	0	0	0	0	112	Y51 V52 D53 F57 E73 L203 Y233	Y51-T55 VanDerWaalsContact CA-O 3.29Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; V52-T55 PolarHBondContact N-O 3Å; V52-T55 WeakPolarHBondContact O-CB 3.25Å; V52-T55 PolarHBondContact O-N 3.49Å; D53-T55 VanDerWaalsContact C-N 3.31Å; T55-F57 PolarHBondContact O-N 3.33Å; T55-E73 HydrophobicContact CG2-CG 3.53Å; T55-E73 WeakPolarHBondContact CG2-OE1 3.43Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.13Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å
56	Q	97	Very high	97.2	Very high	53 Å²	53	38 Å²	38	25%	0.248	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	111.6	177.1	-167.5	-166.7	-15.1	0	0	111.2	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 HydrophobicContact CD2-CB 4.47Å; Y51-Q56 HydrophobicContact CD2-CG 4.22Å; Y51-Q56 HydrophobicContact CE1-CB 3.57Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.42Å; Q56-V58 PolarHBondContact NE2-O 3.4Å; Q56-R72 WeakPolarHBondContact O-CB 3.39Å
57	F	97.5	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-19.8	-178.4	74.6	-87.3	0	0	0	115.4	M29 Y31 G50 V52 T55 R72 E73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.33Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 AromaticContact CZ-CZ 3.83Å; G50-F57 VanDerWaalsContact C-CD1 3.43Å; G50-F57 VanDerWaalsContact C-CE1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 3.4Å; V52-F57 HydrophobicContact CG2-CD1 3.91Å; V52-F57 HydrophobicContact CG2-CE1 3.91Å; T55-F57 PolarHBondContact O-N 3.33Å; F57-R72 PolarHBondContact O-N 2.87Å; F57-E73 HydrophobicContact CB-CB 4.39Å; F57-E73 HydrophobicContact CB-CG 4.29Å; F57-W75 HydrophobicContact CB-CH2 3.19Å; F57-W75 HydrophobicContact CB-CZ2 3.46Å; F57-W75 VanDerWaalsContact CB-CZ2 3.46Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.02Å; F57-W75 HydrophobicContact CD2-CH2 4.07Å; F57-W75 HydrophobicContact CD2-CZ3 4.29Å; F57-W75 AromaticContact CG-CH2 3.54Å; F57-W75 HydrophobicContact CG-CH2 3.54Å; F57-W75 HydrophobicContact CG-CZ2 4.26Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; F57-V76 HydrophobicContact CB-CG1 4.32Å; F57-V76 HydrophobicContact CD2-CB 4.46Å; F57-V76 HydrophobicContact CD2-CG1 4.36Å; F57-V76 HydrophobicContact CD2-CG2 4.2Å; F57-V76 WeakPolarHBondContact O-CG1 3.33Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE1-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.32Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.79Å; F57-Y195 HydrophobicContact CZ-CD2 4.17Å; F57-Y195 AromaticContact CZ-CE2 3.57Å; F57-Y195 HydrophobicContact CZ-CE2 3.57Å
58	V	98.1	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149.1	-177	63.7	0	0	0	0	113.2	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.07Å; V49-V58 WeakPolarHBondContact CA-O 3.39Å; G50-V58 PolarHBondContact N-O 2.93Å; G50-V58 PolarHBondContact O-N 3.46Å; Q56-V58 PolarHBondContact NE2-O 3.4Å; V58-E70 WeakPolarHBondContact CA-O 3.35Å; V58-W84 HydrophobicContact CG2-CZ3 4.11Å; V58-Y91 HydrophobicContact CG2-CE2 4.34Å
59	R	98.3	Very high	97	Very high	86 Å²	86	44.4 Å²	44.4	33%	0.325	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.8	169.8	-177.5	171.5	171.2	167.2	-4.1	111.5	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.38Å; A48-R59 WeakPolarHBondContact O-CA 3.39Å; V49-R59 HydrophobicContact CG1-CG 4.36Å; R59-D61 IonicContact CZ-OD2 2.63Å; R59-D61 IonicContact NE-OD2 2.69Å; R59-D61 IonicContact NH2-OD2 3.83Å; R59-D61 PolarHBondContact NH2-OD2 2.93Å; R59-E70 PolarHBondContact N-O 3.43Å; R59-E70 PolarHBondContact O-N 2.91Å; R59-R72 HydrophobicContact CB-CG 4.22Å
60	F	98.6	Very high	96.9	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.8	161.5	179.7	-80.3	0	0	0	108.9	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.63Å; F46-F60 HydrophobicContact CD1-CD1 3.63Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 3.85Å; F46-F60 HydrophobicContact CE1-CE1 4.29Å; I47-F60 WeakPolarHBondContact CA-O 3.35Å; A48-F60 HydrophobicContact CB-CB 4.4Å; A48-F60 PolarHBondContact N-O 3.02Å; A48-F60 PolarHBondContact O-N 3.35Å; F60-P67 HydrophobicContact CE1-CB 4.41Å; F60-P67 HydrophobicContact CE2-CB 4.01Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; F60-R68 VanDerWaalsContact CD2-C 3.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; F60-Y91 HydrophobicContact CB-CD1 4.18Å; F60-Y91 HydrophobicContact CB-CD2 3.65Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.43Å; F60-Y91 VanDerWaalsContact CD2-CB 3.46Å; F60-Y91 AromaticContact CD2-CD2 3.65Å; F60-Y91 HydrophobicContact CD2-CD2 3.65Å; F60-Y91 AromaticContact CD2-CG 3.82Å; F60-Y91 HydrophobicContact CD2-CG 3.82Å; F60-Y91 AromaticContact CG-CD2 3.86Å; F60-Y91 HydrophobicContact CG-CD2 3.86Å; F60-Y91 AromaticContact CG-CG 3.74Å; F60-Y91 HydrophobicContact CG-CG 3.74Å; F60-K92 HydrophobicContact CE2-CG 4.17Å; F60-K92 HydrophobicContact CZ-CG 3.94Å
61	D	98.3	Very high	96.8	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	125	176.8	-154	-37	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.65Å; R45-D61 VanDerWaalsContact CZ-OD1 3.32Å; R45-D61 IonicContact CZ-OD2 3.31Å; R45-D61 IonicContact NE-OD1 2.73Å; R45-D61 PolarHBondContact NE-OD1 3.32Å; R45-D61 IonicContact NE-OD2 3.31Å; R45-D61 IonicContact NH2-OD1 3.9Å; R45-D61 PolarHBondContact NH2-OD1 2.92Å; R45-D61 IonicContact NH2-OD2 3.27Å; R45-D61 PolarHBondContact NH2-OD2 2.88Å; R59-D61 IonicContact CZ-OD2 2.63Å; R59-D61 IonicContact NE-OD2 2.69Å; R59-D61 IonicContact NH2-OD2 3.83Å; R59-D61 PolarHBondContact NH2-OD2 2.93Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-A64 HydrophobicContact CB-CB 4.48Å; D61-A64 PolarHBondContact O-N 3.38Å
62	S	97.1	Very high	96.8	Very high	34 Å²	34	49.8 Å²	49.8	24%	0.238	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.3	-179.2	56	0	0	0	0	113.7	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.49Å; R45-S62 WeakPolarHBondContact CG-OG 3.39Å; F46-S62 PolarHBondContact N-OG 3.5Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 2.91Å; S62-P67 VanDerWaalsContact O-CG 3.29Å; S62-P67 WeakPolarHBondContact O-CG 3.38Å
63	D	95.6	Very high	96.6	Very high	101 Å²	101	52.2 Å²	52.2	54%	0.54	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	0.9	-170.9	-62.9	16	0	0	0	111.7	R45 D61	R45-D63 WeakPolarHBondContact CD-OD2 3.36Å; R45-D63 WeakPolarHBondContact CG-OD1 3.45Å; R45-D63 IonicContact CZ-OD2 3.82Å; R45-D63 IonicContact NE-OD2 3.63Å; R45-D63 PolarHBondContact NE-OD2 2.98Å; R45-D63 IonicContact NH1-OD2 3.43Å; D61-D63 PolarHBondContact O-N 2.91Å
64	A	95.6	Very high	96.6	Very high	35 Å²	35	55 Å²	55	29%	0.289	30%	0.304	S	S	.	.	S	Bend	trans	-64.8	146.7	170.3	0	0	0	0	0	110.9	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.48Å; D61-A64 PolarHBondContact O-N 3.38Å; A64-S66 PolarHBondContact O-N 3.48Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.25Å; A64-P67 VanDerWaalsContact O-CG 3.32Å; A64-P67 WeakPolarHBondContact O-CG 3.4Å
65	A	95.1	Very high	96.6	Very high	119 Å²	119	52.8 Å²	52.8	98%	0.983	29%	0.291	S	S	*	.	S	Bend	trans	-60.9	-19.9	-179.2	0	0	0	0	0	114.2
66	S	94.9	Very high	96.6	Very high	85 Å²	85	52 Å²	52	59%	0.594	29%	0.286	S	S	*	.	S	Bend	trans	-143.1	91.2	167.9	-173.4	0	0	0	0	109.1	A64 R68	A64-S66 PolarHBondContact O-N 3.48Å; S66-R68 PolarHBondContact O-N 3.32Å; S66-R68 VanDerWaalsContact O-N 3.15Å
67	P	96.3	Very high	96.5	Very high	35 Å²	35	55.4 Å²	55.4	23%	0.227	30%	0.302	C	S	.	.			trans	-65.2	115.8	-173.6	-25.1	36.4	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.41Å; F60-P67 HydrophobicContact CE2-CB 4.01Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; S62-P67 VanDerWaalsContact O-CG 3.29Å; S62-P67 WeakPolarHBondContact O-CG 3.38Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.25Å; A64-P67 VanDerWaalsContact O-CG 3.32Å; A64-P67 WeakPolarHBondContact O-CG 3.4Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 3.4Å
68	R	97.3	Very high	96.3	Very high	153 Å²	153	61.4 Å²	61.4	58%	0.577	33%	0.33	S	S	*	.			trans	-146.7	163.3	178.2	61.8	-177.6	174.6	174.9	0.8	110	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; S66-R68 PolarHBondContact O-N 3.32Å; S66-R68 VanDerWaalsContact O-N 3.15Å; R68-E70 HydrophobicContact CG-CG 4.23Å; R68-T88 HydrophobicContact CB-CG2 4.28Å
69	G	96.8	Very high	96.1	Very high	5 Å²	5	61.9 Å²	61.9	5%	0.052	33%	0.333	C	S	.	.			trans	-65.7	131.8	163.5	0	0	0	0	0	109.1	T88	G69-T88 PolarHBondContact N-OG1 3.44Å
70	E	96.9	Very high	96	Very high	53 Å²	53	59.6 Å²	59.6	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.4	178.8	-61.8	-177.8	147.6	0	0	109.4	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.35Å; R59-E70 PolarHBondContact N-O 3.43Å; R59-E70 PolarHBondContact O-N 2.91Å; R68-E70 HydrophobicContact CG-CG 4.23Å; E70-R72 IonicContact OE2-CZ 2.74Å; E70-R72 IonicContact OE2-NH2 3.08Å; E70-R72 PolarHBondContact OE2-NH2 2.89Å
71	P	97.4	Very high	95.8	Very high	43 Å²	43	64.1 Å²	64.1	28%	0.279	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	155.4	169.9	28.7	-34.5	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.99Å; P71-E77 HydrophobicContact CB-CG 3.63Å; P71-E77 HydrophobicContact CG-CG 3.83Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.83Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.29Å
72	R	96.8	Very high	95.8	Very high	116 Å²	116	71.3 Å²	71.3	44%	0.438	40%	0.398	S	S	.	.			trans	-130.2	-13.2	171.6	-62.9	-69	154.9	178.3	-5.2	112.7	Q56 F57 R59 E70	Q56-R72 WeakPolarHBondContact O-CB 3.39Å; F57-R72 PolarHBondContact O-N 2.87Å; R59-R72 HydrophobicContact CB-CG 4.22Å; E70-R72 IonicContact OE2-CZ 2.74Å; E70-R72 IonicContact OE2-NH2 3.08Å; E70-R72 PolarHBondContact OE2-NH2 2.89Å
73	E	95.3	Very high	95.7	Very high	50 Å²	50	70 Å²	70	23%	0.234	39%	0.388	C	S	.	.	S	Bend	trans	-128	143.6	175.5	-72.6	-57.5	147.9	0	0	112.3	T55 F57 W75 V76	T55-E73 HydrophobicContact CG2-CG 3.53Å; T55-E73 WeakPolarHBondContact CG2-OE1 3.43Å; F57-E73 HydrophobicContact CB-CB 4.39Å; F57-E73 HydrophobicContact CB-CG 4.29Å; E73-W75 VanDerWaalsContact C-N 3.27Å; E73-W75 HydrophobicContact CB-CD2 4.12Å; E73-W75 HydrophobicContact CB-CG 4.23Å; E73-W75 HydrophobicContact CB-CZ2 4.11Å; E73-W75 HydrophobicContact CG-CZ2 4.1Å; E73-W75 PolarHBondContact O-N 3.1Å; E73-V76 VanDerWaalsContact O-CG1 3.3Å; E73-V76 WeakPolarHBondContact O-CG1 3.5Å; E73-V76 PolarHBondContact O-N 3.27Å
74	P	95.1	Very high	95.8	Very high	92 Å²	92	67 Å²	67	60%	0.597	37%	0.369	S	S	*	.	H	α-helix	trans	-58.2	-35.2	180	-25.1	34.7	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 2.96Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.39Å
75	W	94.9	Very high	95.9	Very high	14 Å²	14	70.3 Å²	70.3	5%	0.053	38%	0.382	C	S	.	.	H	α-helix	trans	-70	-11.5	-176.1	56.6	-107.2	0	0	0	114.5	V52 F57 E73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CG2-CH2 3.94Å; F57-W75 HydrophobicContact CB-CH2 3.19Å; F57-W75 HydrophobicContact CB-CZ2 3.46Å; F57-W75 VanDerWaalsContact CB-CZ2 3.46Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.02Å; F57-W75 HydrophobicContact CD2-CH2 4.07Å; F57-W75 HydrophobicContact CD2-CZ3 4.29Å; F57-W75 AromaticContact CG-CH2 3.54Å; F57-W75 HydrophobicContact CG-CH2 3.54Å; F57-W75 HydrophobicContact CG-CZ2 4.26Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; E73-W75 VanDerWaalsContact C-N 3.27Å; E73-W75 HydrophobicContact CB-CD2 4.12Å; E73-W75 HydrophobicContact CB-CG 4.23Å; E73-W75 HydrophobicContact CB-CZ2 4.11Å; E73-W75 HydrophobicContact CG-CZ2 4.1Å; E73-W75 PolarHBondContact O-N 3.1Å; W75-Q78 WeakPolarHBondContact O-CG 3.5Å; W75-Q78 PolarHBondContact O-NE2 2.86Å; W75-Y195 HydrophobicContact CE3-CD1 4.31Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; W75-Y195 HydrophobicContact CZ3-CE1 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.57Å; W75-Y195 HydrophobicContact CZ3-CG 3.57Å; W75-N198 HydrophobicContact CB-CB 4.42Å; W75-N198 WeakPolarHBondContact CB-O 3.4Å; W75-G199 VanDerWaalsContact CB-CA 3.46Å; W75-T202 VanDerWaalsContact CD1-OG1 3.27Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.2Å; W75-L203 HydrophobicContact CZ2-CD1 3.73Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	V	96.3	Very high	96	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-102.2	-16.6	169.2	72.6	0	0	0	0	112.8	F57 P71 E73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.32Å; F57-V76 HydrophobicContact CD2-CB 4.46Å; F57-V76 HydrophobicContact CD2-CG1 4.36Å; F57-V76 HydrophobicContact CD2-CG2 4.2Å; F57-V76 WeakPolarHBondContact O-CG1 3.33Å; P71-V76 HydrophobicContact CB-CG1 3.99Å; E73-V76 VanDerWaalsContact O-CG1 3.3Å; E73-V76 WeakPolarHBondContact O-CG1 3.5Å; E73-V76 PolarHBondContact O-N 3.27Å; P74-V76 PolarHBondContact O-N 2.96Å; V76-Q78 PolarHBondContact O-N 3.22Å; V76-E79 HydrophobicContact CG2-CB 4.49Å; V76-E79 HydrophobicContact CG2-CG 3.83Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.43Å; V76-E79 WeakPolarHBondContact O-CG 3.4Å; V76-E79 PolarHBondContact O-N 3.41Å; V76-Y83 HydrophobicContact CG2-CE1 4.09Å; V76-W84 HydrophobicContact CG1-CH2 4.13Å; V76-W84 HydrophobicContact CG1-CZ2 4.29Å; V76-W84 HydrophobicContact CG2-CH2 4.08Å; V76-W84 HydrophobicContact CG2-CZ2 4Å; V76-W84 WeakPolarHBondContact O-CZ2 3.25Å; V76-Y195 HydrophobicContact CG2-CE1 4.28Å
77	E	94.1	Very high	96.1	Very high	125 Å²	125	65.7 Å²	65.7	58%	0.584	33%	0.327	S	S	*	.	H	α-helix	trans	-60.5	-28.5	176.1	-64.4	-164.9	151.5	0	0	113	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.63Å; P71-E77 HydrophobicContact CG-CG 3.83Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.39Å; E77-E79 PolarHBondContact O-N 3.32Å
78	Q	92.9	Very high	96.2	Very high	126 Å²	126	64.4 Å²	64.4	59%	0.589	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-8.2	173.6	62.8	-179.5	-17.2	0	0	114.8	W75 V76	W75-Q78 WeakPolarHBondContact O-CG 3.5Å; W75-Q78 PolarHBondContact O-NE2 2.86Å; V76-Q78 PolarHBondContact O-N 3.22Å
79	E	95.4	Very high	96.2	Very high	11 Å²	11	62 Å²	62	5%	0.051	31%	0.313	C	S	.	.	S	Bend	trans	-68.8	132.2	173.3	-69.4	-61.6	156.9	0	0	111.3	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.49Å; V76-E79 HydrophobicContact CG2-CG 3.83Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.43Å; V76-E79 WeakPolarHBondContact O-CG 3.4Å; V76-E79 PolarHBondContact O-N 3.41Å; E77-E79 PolarHBondContact O-N 3.32Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CD2 4.44Å; E79-Y83 HydrophobicContact CB-CE1 4.05Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CD2 4.4Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 PolarHBondContact O-NE1 2.88Å; E79-R194 IonicContact OE1-CZ 3.25Å; E79-R194 VanDerWaalsContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 2.79Å; E79-R194 PolarHBondContact OE1-NE 2.96Å; E79-R194 IonicContact OE1-NH2 2.95Å; E79-R194 PolarHBondContact OE1-NH2 2.98Å; E79-R194 IonicContact OE2-CZ 3.56Å; E79-R194 IonicContact OE2-NE 3.23Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 3.47Å; E79-N198 PolarHBondContact OE1-ND2 3.25Å
80	G	94.6	Very high	96.2	Very high	37 Å²	37	65.3 Å²	65.3	38%	0.381	33%	0.327	S	S	.	.			trans	-66	165.7	-173.4	0	0	0	0	0	114.5	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.89Å; G80-E82 VanDerWaalsContact O-N 3.13Å; G80-Y83 WeakPolarHBondContact O-CB 3.43Å; G80-Y83 PolarHBondContact O-N 3.23Å; G80-W84 PolarHBondContact O-N 3.28Å
81	P	96.1	Very high	96.3	Very high	100 Å²	100	63.7 Å²	63.7	65%	0.649	32%	0.318	S	S	*	.	H	α-helix	trans	-57	-34.3	-176.7	22.4	-33.5	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.98Å; P81-W84 PolarHBondContact O-N 2.71Å; P81-W84 VanDerWaalsContact O-N 3.14Å; P81-D85 PolarHBondContact O-N 2.83Å
82	E	96.8	Very high	96.3	Very high	163 Å²	163	65.1 Å²	65.1	76%	0.762	32%	0.32	S	S	*	.	H	α-helix	trans	-59.6	-33.2	175.9	-61.3	-175.5	-179.2	0	0	113.5	G80 R86	G80-E82 PolarHBondContact O-N 2.89Å; G80-E82 VanDerWaalsContact O-N 3.13Å; E82-R86 WeakPolarHBondContact O-CB 3.26Å; E82-R86 PolarHBondContact O-N 2.78Å; E82-R86 VanDerWaalsContact O-N 3.11Å
83	Y	96.7	Very high	96.4	Very high	6 Å²	6	66.8 Å²	66.8	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-53.6	172.5	166.1	-89.9	0	0	0	109.7	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CD2 4.44Å; E79-Y83 HydrophobicContact CB-CE1 4.05Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CD2 4.4Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.43Å; G80-Y83 PolarHBondContact O-N 3.23Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.98Å; Y83-D85 PolarHBondContact O-N 2.87Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.34Å; Y83-R86 PolarHBondContact O-N 2.92Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4Å; Y83-E87 HydrophobicContact CE1-CG 4.1Å; Y83-E87 HydrophobicContact CE2-CG 3.63Å; Y83-E87 HydrophobicContact CG-CG 4.34Å; Y83-E87 WeakPolarHBondContact O-CG 3.16Å; Y83-E87 PolarHBondContact O-N 2.86Å; Y83-W191 HydrophobicContact CD2-CE3 4.49Å; Y83-W191 AromaticContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CZ2 4.38Å; Y83-W191 AromaticContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CE3 4.18Å; Y83-W191 HydrophobicContact CE2-CH2 4.14Å; Y83-W191 AromaticContact CE2-CZ3 3.77Å; Y83-W191 HydrophobicContact CE2-CZ3 3.77Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.32Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.46Å; Y83-Y195 PolarHBondContact OH-OH 2.78Å
84	W	97.5	Very high	96.5	Very high	38 Å²	38	66.4 Å²	66.4	14%	0.144	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-39.1	-176.8	-68	108.6	0	0	0	113.3	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.11Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.83Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.29Å; V76-W84 HydrophobicContact CG1-CH2 4.13Å; V76-W84 HydrophobicContact CG1-CZ2 4.29Å; V76-W84 HydrophobicContact CG2-CH2 4.08Å; V76-W84 HydrophobicContact CG2-CZ2 4Å; V76-W84 WeakPolarHBondContact O-CZ2 3.25Å; E79-W84 PolarHBondContact O-NE1 2.88Å; G80-W84 PolarHBondContact O-N 3.28Å; P81-W84 PolarHBondContact O-N 2.71Å; P81-W84 VanDerWaalsContact O-N 3.14Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 3.41Å; W84-T88 PolarHBondContact O-OG1 3.14Å
85	D	97.6	Very high	96.6	Very high	105 Å²	105	63.1 Å²	63.1	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-65.1	-47.2	172.6	-82.1	-32.4	0	0	0	111.5	P81 Y83 E87 T88 Q89	P81-D85 PolarHBondContact O-N 2.83Å; Y83-D85 PolarHBondContact O-N 2.87Å; D85-E87 PolarHBondContact O-N 3.08Å; D85-T88 WeakPolarHBondContact O-CB 3.39Å; D85-T88 PolarHBondContact O-N 3.4Å; D85-Q89 WeakPolarHBondContact O-CB 3.42Å; D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.17Å; D85-Q89 PolarHBondContact O-N 2.88Å
86	R	96.9	Very high	96.7	Very high	99 Å²	99	68.6 Å²	68.6	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-43.4	-179.6	-175.8	-173.2	68.3	-146.6	-1.2	112.5	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.26Å; E82-R86 PolarHBondContact O-N 2.78Å; E82-R86 VanDerWaalsContact O-N 3.11Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.34Å; Y83-R86 PolarHBondContact O-N 2.92Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; R86-Q89 PolarHBondContact O-N 3.43Å; R86-K90 WeakPolarHBondContact O-CG 3.43Å; R86-K90 PolarHBondContact O-N 2.95Å
87	E	96.8	Very high	96.8	Very high	9 Å²	9	70.6 Å²	70.6	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-69.1	-41.3	176.2	-57.1	-39.4	117.2	0	0	111	Y83 D85 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4Å; Y83-E87 HydrophobicContact CE1-CG 4.1Å; Y83-E87 HydrophobicContact CE2-CG 3.63Å; Y83-E87 HydrophobicContact CG-CG 4.34Å; Y83-E87 WeakPolarHBondContact O-CG 3.16Å; Y83-E87 PolarHBondContact O-N 2.86Å; D85-E87 PolarHBondContact O-N 3.08Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.85Å; E87-K90 WeakPolarHBondContact O-CB 3.46Å; E87-K90 PolarHBondContact O-N 2.96Å; E87-K90 IonicContact OE1-NZ 3.82Å; E87-K90 PolarHBondContact OE1-NZ 2.72Å; E87-K90 WeakPolarHBondContact OE2-CD 3.19Å; E87-K90 WeakPolarHBondContact OE2-CE 3.46Å; E87-K90 IonicContact OE2-NZ 3.6Å; E87-K90 PolarHBondContact OE2-NZ 3.37Å; E87-Y91 HydrophobicContact CB-CE2 4.15Å; E87-Y91 WeakPolarHBondContact O-CD2 3.31Å; E87-Y91 PolarHBondContact O-N 2.78Å
88	T	98.1	Very high	96.9	Very high	8 Å²	8	64.6 Å²	64.6	5%	0.049	32%	0.32	C	S	.	.	H	α-helix	trans	-54.7	-43.3	170.8	-66.3	0	0	0	0	112.2	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.28Å; G69-T88 PolarHBondContact N-OG1 3.44Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 3.41Å; W84-T88 PolarHBondContact O-OG1 3.14Å; D85-T88 WeakPolarHBondContact O-CB 3.39Å; D85-T88 PolarHBondContact O-N 3.4Å; T88-Y91 PolarHBondContact O-N 3.17Å; T88-K92 HydrophobicContact CG2-CD 3.95Å; T88-K92 WeakPolarHBondContact O-CB 3.41Å; T88-K92 WeakPolarHBondContact O-CG 3.18Å; T88-K92 PolarHBondContact O-N 2.83Å
89	Q	98.1	Very high	97.1	Very high	101 Å²	101	62.7 Å²	62.7	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-75.7	-20.8	177.7	-64.6	-63.4	-7.1	0	0	113.4	D85 R86 E87 R93	D85-Q89 WeakPolarHBondContact O-CB 3.42Å; D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.17Å; D85-Q89 PolarHBondContact O-N 2.88Å; R86-Q89 PolarHBondContact O-N 3.43Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.85Å; Q89-R93 WeakPolarHBondContact O-CB 3.34Å; Q89-R93 WeakPolarHBondContact O-CG 3.01Å; Q89-R93 PolarHBondContact O-N 2.97Å; Q89-R93 PolarHBondContact O-NE 2.82Å
90	K	97.1	Very high	97.1	Very high	76 Å²	76	65.3 Å²	65.3	33%	0.33	32%	0.324	S	S	.	.	H	α-helix	trans	-70.7	-50.6	166.6	-76.7	159.7	164.6	178.8	0	110.4	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.43Å; R86-K90 PolarHBondContact O-N 2.95Å; E87-K90 WeakPolarHBondContact O-CB 3.46Å; E87-K90 PolarHBondContact O-N 2.96Å; E87-K90 IonicContact OE1-NZ 3.82Å; E87-K90 PolarHBondContact OE1-NZ 2.72Å; E87-K90 WeakPolarHBondContact OE2-CD 3.19Å; E87-K90 WeakPolarHBondContact OE2-CE 3.46Å; E87-K90 IonicContact OE2-NZ 3.6Å; E87-K90 PolarHBondContact OE2-NZ 3.37Å; K90-K92 PolarHBondContact O-N 3.1Å; K90-R93 PolarHBondContact O-N 2.89Å; K90-Q94 PolarHBondContact O-N 2.86Å
91	Y	98.3	Very high	97.3	Very high	18 Å²	18	65.6 Å²	65.6	7%	0.071	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-46	178.8	-64	-53.8	0	0	0	112.3	F46 A48 V58 F60 E87 T88 R93 Q94 A95	F46-Y91 HydrophobicContact CE1-CD1 4.18Å; F46-Y91 HydrophobicContact CZ-CD1 4.47Å; A48-Y91 HydrophobicContact CB-CD1 3.66Å; A48-Y91 HydrophobicContact CB-CE1 3.61Å; V58-Y91 HydrophobicContact CG2-CE2 4.34Å; F60-Y91 HydrophobicContact CB-CD1 4.18Å; F60-Y91 HydrophobicContact CB-CD2 3.65Å; F60-Y91 HydrophobicContact CB-CE2 4.05Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.43Å; F60-Y91 VanDerWaalsContact CD2-CB 3.46Å; F60-Y91 AromaticContact CD2-CD2 3.65Å; F60-Y91 HydrophobicContact CD2-CD2 3.65Å; F60-Y91 AromaticContact CD2-CG 3.82Å; F60-Y91 HydrophobicContact CD2-CG 3.82Å; F60-Y91 AromaticContact CG-CD2 3.86Å; F60-Y91 HydrophobicContact CG-CD2 3.86Å; F60-Y91 AromaticContact CG-CG 3.74Å; F60-Y91 HydrophobicContact CG-CG 3.74Å; E87-Y91 HydrophobicContact CB-CE2 4.15Å; E87-Y91 WeakPolarHBondContact O-CD2 3.31Å; E87-Y91 PolarHBondContact O-N 2.78Å; T88-Y91 PolarHBondContact O-N 3.17Å; Y91-R93 VanDerWaalsContact C-N 3.32Å; Y91-R93 PolarHBondContact O-N 3.13Å; Y91-Q94 PolarHBondContact O-N 2.84Å; Y91-Q94 VanDerWaalsContact O-N 3.17Å; Y91-A95 PolarHBondContact O-N 2.92Å
92	K	98.1	Very high	97.3	Very high	73 Å²	73	61 Å²	61	32%	0.317	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-36.6	176.6	-74.1	172.7	180	168.2	0	113.2	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.17Å; F60-K92 HydrophobicContact CZ-CG 3.94Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 3.4Å; T88-K92 HydrophobicContact CG2-CD 3.95Å; T88-K92 WeakPolarHBondContact O-CB 3.41Å; T88-K92 WeakPolarHBondContact O-CG 3.18Å; T88-K92 PolarHBondContact O-N 2.83Å; K90-K92 PolarHBondContact O-N 3.1Å; K92-Q96 WeakPolarHBondContact O-CG 3.41Å; K92-Q96 PolarHBondContact O-N 2.84Å
93	R	97.9	Very high	97.2	Very high	151 Å²	151	59.3 Å²	59.3	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-72	-38.4	173.9	-76.3	180	-68.5	165.4	-1.8	112.7	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.34Å; Q89-R93 WeakPolarHBondContact O-CG 3.01Å; Q89-R93 PolarHBondContact O-N 2.97Å; Q89-R93 PolarHBondContact O-NE 2.82Å; K90-R93 PolarHBondContact O-N 2.89Å; Y91-R93 VanDerWaalsContact C-N 3.32Å; Y91-R93 PolarHBondContact O-N 3.13Å; R93-Q96 PolarHBondContact O-N 2.92Å; R93-A97 PolarHBondContact O-N 3.34Å
94	Q	97.9	Very high	97.2	Very high	43 Å²	43	63.6 Å²	63.6	20%	0.201	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-43.7	175.2	-171.1	69.8	64.8	0	0	111.1	F46 K90 Y91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 3.94Å; F46-Q94 HydrophobicContact CE2-CG 3.55Å; F46-Q94 HydrophobicContact CZ-CB 3.87Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; K90-Q94 PolarHBondContact O-N 2.86Å; Y91-Q94 PolarHBondContact O-N 2.84Å; Y91-Q94 VanDerWaalsContact O-N 3.17Å; Q94-Q96 VanDerWaalsContact C-N 3.31Å; Q94-Q96 PolarHBondContact O-N 2.83Å; Q94-A97 WeakPolarHBondContact O-CB 3.49Å; Q94-A97 PolarHBondContact O-N 3.13Å; Q94-A97 VanDerWaalsContact O-N 3.09Å; Q94-D98 PolarHBondContact NE2-OD1 3.42Å; Q94-D98 WeakPolarHBondContact O-CB 3.37Å; Q94-D98 PolarHBondContact O-N 3.41Å
95	A	97.8	Very high	97.2	Very high	23 Å²	23	62.1 Å²	62.1	19%	0.19	29%	0.287	C	S	.	.	H	α-helix	trans	-56.7	-42.6	174.7	0	0	0	0	0	112.6	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.58Å; F46-A95 HydrophobicContact CD1-CB 3.94Å; F46-A95 HydrophobicContact CD2-CB 3.87Å; F46-A95 HydrophobicContact CG-CB 3.52Å; Y91-A95 PolarHBondContact O-N 2.92Å; A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.42Å; A95-R99 PolarHBondContact O-N 3.11Å
96	Q	97.1	Very high	97.1	Very high	129 Å²	129	60 Å²	60	60%	0.603	27%	0.271	S	S	*	.	H	α-helix	trans	-66.8	-38.6	174.6	-72.4	-179.5	-5.1	0	0	112.8	K92 R93 Q94 V100	K92-Q96 WeakPolarHBondContact O-CG 3.41Å; K92-Q96 PolarHBondContact O-N 2.84Å; R93-Q96 PolarHBondContact O-N 2.92Å; Q94-Q96 VanDerWaalsContact C-N 3.31Å; Q94-Q96 PolarHBondContact O-N 2.83Å; Q96-V100 WeakPolarHBondContact O-CG2 3.48Å; Q96-V100 PolarHBondContact O-N 2.03Å
97	A	97	Very high	97	Very high	41 Å²	41	57.5 Å²	57.5	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-45.5	175.8	0	0	0	0	0	111.5	R93 Q94 V100 N101	R93-A97 PolarHBondContact O-N 3.34Å; Q94-A97 WeakPolarHBondContact O-CB 3.49Å; Q94-A97 PolarHBondContact O-N 3.13Å; Q94-A97 VanDerWaalsContact O-N 3.09Å; A97-V100 CarbonylContact O-C 3.59Å; A97-V100 WeakPolarHBondContact O-CB 2.96Å; A97-V100 PolarHBondContact O-N 2.79Å; A97-V100 VanDerWaalsContact O-N 3.11Å; A97-N101 PolarHBondContact O-N 2.89Å; A97-N101 PolarHBondContact O-ND2 2.95Å
98	D	97.5	Very high	97.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-41	-179.7	-74.7	11.2	0	0	0	112	S35 Q94 V100 N101 L102 L119	S35-D98 WeakPolarHBondContact OG-CB 3.2Å; S35-D98 PolarHBondContact OG-OD2 3.48Å; Q94-D98 PolarHBondContact NE2-OD1 3.42Å; Q94-D98 WeakPolarHBondContact O-CB 3.37Å; Q94-D98 PolarHBondContact O-N 3.41Å; D98-V100 PolarHBondContact O-N 3.12Å; D98-N101 CarbonylContact O-C 3.57Å; D98-N101 PolarHBondContact O-N 3.26Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 WeakPolarHBondContact O-CG 3.15Å; D98-L102 PolarHBondContact O-N 2.9Å; D98-L119 HydrophobicContact CB-CD2 4.13Å
99	R	96	Very high	97.1	Very high	86 Å²	86	62.5 Å²	62.5	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-51.9	-40.9	169.1	175.5	-169.3	-176.5	-147.6	2.6	112.5	E43 P44 A95 R103	E43-R99 VanDerWaalsContact CD-CZ 3.5Å; E43-R99 IonicContact OE1-CZ 3.11Å; E43-R99 VanDerWaalsContact OE1-CZ 3.31Å; E43-R99 IonicContact OE1-NE 2.83Å; E43-R99 IonicContact OE1-NH2 2.74Å; E43-R99 PolarHBondContact OE1-NH2 3.15Å; E43-R99 IonicContact OE2-CZ 3.4Å; E43-R99 VanDerWaalsContact OE2-CZ 3.31Å; E43-R99 IonicContact OE2-NE 3.87Å; E43-R99 PolarHBondContact OE2-NE 3.36Å; E43-R99 IonicContact OE2-NH2 2.72Å; E43-R99 PolarHBondContact OE2-NH2 3.03Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.31Å; A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.42Å; A95-R99 PolarHBondContact O-N 3.11Å; R99-R103 WeakPolarHBondContact O-CG 3.14Å
100	V	96.4	Very high	97	Very high	66 Å²	66	64.8 Å²	64.8	40%	0.4	31%	0.31	S	S	.	.	H	α-helix	trans	-76.7	-34.2	177.1	170.4	0	0	0	0	111.5	Q96 A97 D98 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.48Å; Q96-V100 PolarHBondContact O-N 2.03Å; A97-V100 CarbonylContact O-C 3.59Å; A97-V100 WeakPolarHBondContact O-CB 2.96Å; A97-V100 PolarHBondContact O-N 2.79Å; A97-V100 VanDerWaalsContact O-N 3.11Å; D98-V100 PolarHBondContact O-N 3.12Å; V100-K104 HydrophobicContact CG1-CD 4.49Å; V100-K104 WeakPolarHBondContact O-CG 3.33Å; V100-K104 PolarHBondContact O-N 3.26Å
101	N	97.2	Very high	96.9	Very high	42 Å²	42	64.1 Å²	64.1	23%	0.225	31%	0.308	C	S	.	.	H	α-helix	trans	-72.7	-41.8	179.4	-66.5	-25.9	0	0	0	112.3	A97 D98 R103 K104 L105 L119	A97-N101 PolarHBondContact O-N 2.89Å; A97-N101 PolarHBondContact O-ND2 2.95Å; D98-N101 CarbonylContact O-C 3.57Å; D98-N101 PolarHBondContact O-N 3.26Å; N101-R103 VanDerWaalsContact C-N 3.28Å; N101-R103 PolarHBondContact O-N 2.86Å; N101-K104 WeakPolarHBondContact O-CA 3.22Å; N101-K104 WeakPolarHBondContact O-CB 3.48Å; N101-K104 PolarHBondContact O-N 3.47Å; N101-K104 PolarHBondContact OD1-NZ 3.34Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.32Å; N101-L105 PolarHBondContact O-N 3.48Å; N101-L119 HydrophobicContact CB-CD2 3.81Å
102	L	97	Very high	96.6	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-52.3	-45.3	172.2	-77.1	164.1	0	0	0	111.7	P44 D98 K104 L105 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.66Å; P44-L102 HydrophobicContact CG-CD1 3.83Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 WeakPolarHBondContact O-CG 3.15Å; D98-L102 PolarHBondContact O-N 2.9Å; L102-K104 PolarHBondContact O-N 3.23Å; L102-L105 PolarHBondContact O-N 2.96Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.22Å; L102-H117 HydrophobicContact CD2-CB 4.25Å; L102-L119 HydrophobicContact CD2-CB 3.6Å; L102-L119 HydrophobicContact CG-CB 4Å; L102-L119 HydrophobicContact CG-CD2 4.44Å; L102-Y142 HydrophobicContact CD2-CE2 3.98Å
103	R	94.8	Very high	96.1	Very high	127 Å²	127	69.8 Å²	69.8	48%	0.479	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-36	175.8	-67.3	175.2	-175.4	167.3	2.3	113.1	E43 R99 N101 G107	E43-R103 IonicContact OE2-NH2 3.47Å; E43-R103 PolarHBondContact OE2-NH2 3.12Å; R99-R103 WeakPolarHBondContact O-CG 3.14Å; N101-R103 VanDerWaalsContact C-N 3.28Å; N101-R103 PolarHBondContact O-N 2.86Å; R103-G107 PolarHBondContact O-N 3.48Å
104	K	96.1	Very high	95.5	Very high	95 Å²	95	69.3 Å²	69.3	41%	0.413	35%	0.354	S	S	.	.	H	α-helix	trans	-70.7	-45.2	175.4	-68.2	167.6	-171.3	158.7	0	111.7	V100 N101 L102 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.49Å; V100-K104 WeakPolarHBondContact O-CG 3.33Å; V100-K104 PolarHBondContact O-N 3.26Å; N101-K104 WeakPolarHBondContact O-CA 3.22Å; N101-K104 WeakPolarHBondContact O-CB 3.48Å; N101-K104 PolarHBondContact O-N 3.47Å; N101-K104 PolarHBondContact OD1-NZ 3.34Å; L102-K104 PolarHBondContact O-N 3.23Å; K104-G107 CarbonylContact O-C 3.59Å; K104-G107 WeakPolarHBondContact O-CA 3.37Å; K104-G107 PolarHBondContact O-N 2.94Å; K104-G107 VanDerWaalsContact O-N 3.15Å; K104-Y108 WeakPolarHBondContact O-CD1 3.35Å; K104-Y108 PolarHBondContact O-N 3.34Å
105	L	97.5	Very high	95.1	Very high	7 Å²	7	68 Å²	68	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-52.4	-179.2	-69.2	163.8	0	0	0	110.4	N101 L102 G107 Y108 Y109 L119 Y142 Y147	N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.32Å; N101-L105 PolarHBondContact O-N 3.48Å; L102-L105 PolarHBondContact O-N 2.96Å; L105-G107 PolarHBondContact O-N 3.44Å; L105-G107 VanDerWaalsContact O-N 3.12Å; L105-Y108 PolarHBondContact O-N 2.96Å; L105-Y109 HydrophobicContact CD2-CE2 4.37Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.39Å; L105-Y109 PolarHBondContact O-N 2.93Å; L105-L119 HydrophobicContact CD1-CD1 3.86Å; L105-L119 HydrophobicContact CD1-CD2 4.13Å; L105-L119 HydrophobicContact CD1-CG 4.42Å; L105-Y142 HydrophobicContact CB-CD1 4.23Å; L105-Y142 HydrophobicContact CB-CD2 4.25Å; L105-Y142 HydrophobicContact CB-CE1 3.83Å; L105-Y142 HydrophobicContact CB-CE2 3.89Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.68Å; L105-Y142 HydrophobicContact CD1-CE2 3.97Å; L105-Y142 HydrophobicContact CD1-CG 4.08Å; L105-Y142 HydrophobicContact CG-CD2 4.48Å; L105-Y147 HydrophobicContact CD2-CD1 4.32Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 HydrophobicContact CD2-CG 4.45Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å
106	R	95.7	Very high	95	Very high	61 Å²	61	70.1 Å²	70.1	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-50.1	-39.3	172.4	-167.3	-166.9	68	171.3	7.4	112.4	L102 N110 Q111 S112 E113 Y142	L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.22Å; R106-N110 PolarHBondContact O-N 2.83Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.73Å; R106-Q111 PolarHBondContact O-N 2.99Å; R106-S112 WeakPolarHBondContact CD-O 3.49Å; R106-E113 IonicContact CZ-OE1 3.32Å; R106-E113 IonicContact NH1-OE1 3.46Å; R106-E113 PolarHBondContact NH1-OE1 3.32Å; R106-E113 IonicContact NH2-OE1 2.65Å; R106-E113 PolarHBondContact NH2-OE1 2.85Å; R106-Y142 PolarHBondContact N-OH 2.99Å
107	G	96	Very high	95	Very high	46 Å²	46	64.6 Å²	64.6	47%	0.474	34%	0.339	S	S	.	.	H	α-helix	trans	-70.4	-41.8	174.1	0	0	0	0	0	114.6	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.48Å; K104-G107 CarbonylContact O-C 3.59Å; K104-G107 WeakPolarHBondContact O-CA 3.37Å; K104-G107 PolarHBondContact O-N 2.94Å; K104-G107 VanDerWaalsContact O-N 3.15Å; L105-G107 PolarHBondContact O-N 3.44Å; L105-G107 VanDerWaalsContact O-N 3.12Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; G107-Y109 PolarHBondContact O-N 3.43Å; G107-N110 PolarHBondContact O-N 2.95Å
108	Y	97.6	Very high	95.1	Very high	54 Å²	54	64.4 Å²	64.4	21%	0.212	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-36.5	176.7	-63.3	-12.5	0	0	0	112.1	K104 L105 A163 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.35Å; K104-Y108 PolarHBondContact O-N 3.34Å; L105-Y108 PolarHBondContact O-N 2.96Å; Y108-A163 HydrophobicContact CD2-CB 4.37Å; Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4Å; Y108-I166 HydrophobicContact CE2-CB 4.09Å; Y108-I166 HydrophobicContact CE2-CG2 4.08Å; Y108-I166 HydrophobicContact CG-CD1 4.2Å; Y108-K170 PolarHBondContact OH-NZ 3.15Å
109	Y	97.4	Very high	95.1	Very high	69 Å²	69	64.5 Å²	64.5	27%	0.271	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.1	178.5	-68.9	-70.3	0	0	0	114.2	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.37Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.39Å; L105-Y109 PolarHBondContact O-N 2.93Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; G107-Y109 PolarHBondContact O-N 3.43Å; Y109-Q111 PolarHBondContact O-N 2.99Å; 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 3.46Å; Y109-Y142 HydrophobicContact CE2-CD1 3.46Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.46Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.34Å; Y109-Y147 HydrophobicContact CE2-CE2 4.06Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.45Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.36Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.3Å; Y109-D161 PolarHBondContact OH-OD1 3.26Å; Y109-D161 PolarHBondContact OH-OD2 3.45Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CE1-CB 3.69Å; Y109-A163 HydrophobicContact CE2-CB 4.02Å
110	N	96.1	Very high	95.3	Very high	148 Å²	148	64 Å²	64	79%	0.791	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	35.6	-177.5	-52	-82.4	0	0	0	113.8	R106 G107	R106-N110 PolarHBondContact O-N 2.83Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.95Å
111	Q	95.7	Very high	95.4	Very high	62 Å²	62	61.7 Å²	61.7	29%	0.29	32%	0.32	S	S	.	.			trans	-80.2	153.6	-179.2	-70.2	162.4	-50.1	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.73Å; R106-Q111 PolarHBondContact O-N 2.99Å; Y109-Q111 PolarHBondContact O-N 2.99Å; Q111-H117 PolarHBondContact NE2-CE1 3.15Å; Q111-Y142 PolarHBondContact OE1-OH 3.06Å; Q111-D143 PolarHBondContact NE2-OD2 3.48Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.09Å
112	S	92.1	Very high	95.4	Very high	77 Å²	77	61 Å²	61	54%	0.538	32%	0.315	S	S	.	.			trans	-70	156	-178.4	52	0	0	0	0	113.2	R106 D114 G115	R106-S112 WeakPolarHBondContact CD-O 3.49Å; S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 2.95Å; S112-G115 PolarHBondContact O-N 3.09Å
113	E	86.7	Confident	95.5	Very high	133 Å²	133	62.2 Å²	62.2	62%	0.621	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.7	180	-63.3	-136.7	91.5	0	0	113.8	P39 R106 G115	P39-E113 WeakPolarHBondContact CG-O 3.25Å; R106-E113 IonicContact CZ-OE1 3.32Å; R106-E113 IonicContact NH1-OE1 3.46Å; R106-E113 PolarHBondContact NH1-OE1 3.32Å; R106-E113 IonicContact NH2-OE1 2.65Å; R106-E113 PolarHBondContact NH2-OE1 2.85Å; E113-G115 PolarHBondContact O-N 2.94Å
114	D	86.6	Confident	95.7	Very high	142 Å²	142	56.2 Å²	56.2	76%	0.759	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-2	179.2	-48.4	-70	0	0	0	113.6	S112	S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 2.95Å
115	G	89.8	Confident	95.8	Very high	16 Å²	16	51.7 Å²	51.7	17%	0.165	28%	0.278	C	S	.	.			trans	-70.9	128.2	176.9	0	0	0	0	0	113.1	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.37Å; S112-G115 PolarHBondContact O-N 3.09Å; E113-G115 PolarHBondContact O-N 2.94Å; G115-H117 PolarHBondContact O-CD2 3.48Å
116	S	95.1	Very high	95.8	Very high	67 Å²	67	52.7 Å²	52.7	47%	0.469	28%	0.284	S	S	.	.			trans	-76.6	132.2	161.3	-175.8	0	0	0	0	108.9	S37	S37-S116 WeakPolarHBondContact O-CA 3.27Å; S37-S116 PolarHBondContact O-OG 3.31Å
117	H	97.3	Very high	95.9	Very high	13 Å²	13	50 Å²	50	6%	0.06	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147.8	-174.6	-65.7	-71.9	0	0	0	111.1	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.19Å; S37-H117 PolarHBondContact N-O 3.34Å; S37-H117 PolarHBondContact O-N 3.01Å; S37-H117 PolarHBondContact OG-N 3.35Å; S37-H117 PolarHBondContact OG-O 3.22Å; L102-H117 HydrophobicContact CD2-CB 4.25Å; Q111-H117 PolarHBondContact NE2-CE1 3.15Å; G115-H117 PolarHBondContact O-CD2 3.48Å; H117-Y142 HydrophobicContact CB-CE2 3.9Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 2.69Å; H117-D143 IonicContact CG-OD1 2.88Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 3.82Å; H117-D143 PolarHBondContact ND1-OD1 2.79Å; H117-D143 IonicContact ND1-OD2 3.7Å; H117-D143 PolarHBondContact ND1-OD2 2.83Å
118	T	98.3	Very high	95.7	Very high	36 Å²	36	48 Å²	48	22%	0.221	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.9	-175.5	-60.1	0	0	0	0	110.8	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.95Å; S35-T118 WeakPolarHBondContact O-CA 3.39Å; V36-T118 HydrophobicContact CG2-CG2 4.29Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.17Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.38Å; T118-D143 PolarHBondContact N-OD1 3.47Å; T118-D143 PolarHBondContact O-N 3.09Å
119	L	98.6	Very high	95.3	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.8	169.7	173.9	60.7	0	0	0	108.6	S35 D98 N101 L102 L105 F140	S35-L119 PolarHBondContact N-O 3.05Å; S35-L119 PolarHBondContact O-N 2.84Å; D98-L119 HydrophobicContact CB-CD2 4.13Å; N101-L119 HydrophobicContact CB-CD2 3.81Å; L102-L119 HydrophobicContact CD2-CB 3.6Å; L102-L119 HydrophobicContact CG-CB 4Å; L102-L119 HydrophobicContact CG-CD2 4.44Å; L105-L119 HydrophobicContact CD1-CD1 3.86Å; L105-L119 HydrophobicContact CD1-CD2 4.13Å; L105-L119 HydrophobicContact CD1-CG 4.42Å; L119-F140 HydrophobicContact CD1-CD1 4.14Å
120	Q	98.8	Very high	94.9	Very high	76 Å²	76	51.1 Å²	51.1	36%	0.355	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148.7	176.4	-74	164.5	-83.6	0	0	110.3	S33 T34 T118 F140 A141	S33-Q120 CarbonylContact O-C 3.59Å; S33-Q120 WeakPolarHBondContact O-CA 3.35Å; T34-Q120 HydrophobicContact CG2-CG 3.94Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-F140 CarbonylContact O-C 3.56Å; Q120-F140 VanDerWaalsContact O-CA 3.25Å; Q120-F140 WeakPolarHBondContact O-CA 3.49Å; Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 3.03Å
121	R	98.6	Very high	94.6	Very high	16 Å²	16	45 Å²	45	6%	0.06	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135	172	-174.6	-170.8	178.6	-142.1	-19.3	109.6	F32 S33 F123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.38Å; S33-R121 PolarHBondContact N-O 3.04Å; S33-R121 PolarHBondContact O-N 3.44Å; R121-F123 HydrophobicContact CG-CD1 4.26Å; R121-F123 VanDerWaalsContact NH2-CD1 3.34Å; R121-N138 PolarHBondContact NE-OD1 3.31Å; R121-N138 VanDerWaalsContact NE-OD1 3.11Å; R121-N138 PolarHBondContact NH2-OD1 2.96Å; R121-Q139 WeakPolarHBondContact CA-O 3.18Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.81Å; R121-F140 HydrophobicContact CB-CG 4.38Å; R121-F140 HydrophobicContact CB-CZ 4.4Å; R121-F140 VanDerWaalsContact CD-CE1 3.46Å; R121-F140 HydrophobicContact CG-CD1 3.85Å; R121-F140 HydrophobicContact CG-CD2 4.25Å; R121-F140 HydrophobicContact CG-CE1 3.57Å; R121-F140 HydrophobicContact CG-CE2 3.97Å; R121-F140 HydrophobicContact CG-CG 4.2Å; R121-F140 HydrophobicContact CG-CZ 3.65Å
122	M	98.6	Very high	94.5	Very high	27 Å²	27	50 Å²	50	13%	0.133	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.8	163.1	-174.2	-80.8	-81	0	0	108.7	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.21Å; F32-M122 HydrophobicContact CD1-CB 3.95Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 4.05Å; M122-Y137 HydrophobicContact CE-CD1 3.77Å; M122-Y137 HydrophobicContact CE-CE1 4.46Å; M122-Y137 HydrophobicContact CE-CG 4.02Å; M122-Y137 HydrophobicContact SD-CG 4.41Å; M122-N138 WeakPolarHBondContact O-CA 3.25Å; M122-Q139 HydrophobicContact CB-CG 4.19Å; M122-Q139 HydrophobicContact CE-CG 4.33Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 3.12Å; M122-Q139 PolarHBondContact O-N 3.2Å
123	F	98.6	Very high	94.7	Very high	32 Å²	32	48.7 Å²	48.7	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.6	171	70.5	-81.8	0	0	0	111	Y31 R121 Y137 N138 Y183	Y31-F123 VanDerWaalsContact CB-CE1 3.47Å; Y31-F123 VanDerWaalsContact CB-CZ 3.49Å; Y31-F123 HydrophobicContact CD2-CD2 4.44Å; Y31-F123 AromaticContact CD2-CE2 3.77Å; Y31-F123 HydrophobicContact CD2-CE2 3.77Å; Y31-F123 AromaticContact CD2-CZ 3.94Å; Y31-F123 HydrophobicContact CD2-CZ 3.94Å; Y31-F123 HydrophobicContact CG-CE1 4.28Å; Y31-F123 HydrophobicContact CG-CE2 4.1Å; Y31-F123 AromaticContact CG-CZ 3.79Å; Y31-F123 HydrophobicContact CG-CZ 3.79Å; Y31-F123 PolarHBondContact N-O 3.46Å; Y31-F123 PolarHBondContact O-N 3.39Å; R121-F123 HydrophobicContact CG-CD1 4.26Å; R121-F123 VanDerWaalsContact NH2-CD1 3.34Å; F123-Y137 WeakPolarHBondContact CA-O 3.47Å; F123-Y137 WeakPolarHBondContact CB-O 3.38Å; F123-N138 HydrophobicContact CB-CB 4.15Å; F123-Y183 AromaticContact CD2-CE1 3.86Å; F123-Y183 HydrophobicContact CD2-CE1 3.86Å; F123-Y183 AromaticContact CE2-CE1 3.84Å; F123-Y183 HydrophobicContact CE2-CE1 3.84Å
124	G	98.5	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	178.5	-172.4	0	0	0	0	0	113.8	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.5Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; G124-Y137 PolarHBondContact N-O 2.78Å; G124-Y137 PolarHBondContact O-N 3.48Å; G124-L184 WeakPolarHBondContact O-CD2 3.46Å
125	C	98.4	Very high	95.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.1	-179.4	51.8	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.5Å; M29-C125 PolarHBondContact N-O 3.37Å; M29-C125 PolarHBondContact O-N 2.95Å; C125-L133 HydrophobicContact CB-CD1 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.46Å; C125-C188 HydrophobicContact CB-CB 3.84Å; C125-C188 WeakPolarHBondContact CB-SG 3.37Å; C125-C188 PolarHBondContact N-SG 3.08Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 PolarHBondContact SG-O 3.14Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 2.94Å
126	D	97.9	Very high	96	Very high	28 Å²	28	45.4 Å²	45.4	15%	0.15	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136	177.1	-57.9	0.9	0	0	0	109	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.49Å; H27-D126 WeakPolarHBondContact O-CA 3.4Å; S28-D126 WeakPolarHBondContact CB-OD1 3.28Å; R30-D126 IonicContact CZ-OD1 3.66Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 3.23Å; R30-D126 IonicContact NE-OD1 3.45Å; R30-D126 PolarHBondContact NE-OD1 2.81Å; R30-D126 IonicContact NH2-OD1 3.77Å; R30-D126 PolarHBondContact NH2-OD1 3.44Å; R30-D126 IonicContact NH2-OD2 2.8Å; R30-D126 PolarHBondContact NH2-OD2 2.92Å; D126-L134 PolarHBondContact O-N 3.32Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 2.95Å; D126-R135 PolarHBondContact O-N 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.34Å; D126-Y137 PolarHBondContact OD2-OH 3.13Å
127	L	96.7	Very high	96.2	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.2	178	-51.5	-178.5	0	0	0	110.6	S26 H27 R132 V189 L192 R193	S26-L127 WeakPolarHBondContact CA-O 3.13Å; H27-L127 PolarHBondContact N-O 2.59Å; H27-L127 PolarHBondContact O-N 3.44Å; L127-R132 WeakPolarHBondContact CA-O 3.44Å; L127-V189 HydrophobicContact CD1-CG1 4.47Å; L127-V189 HydrophobicContact CD2-CB 4.24Å; L127-V189 HydrophobicContact CD2-CG1 3.84Å; L127-V189 HydrophobicContact CD2-CG2 3.93Å; L127-L192 HydrophobicContact CD1-CB 4.32Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CG-CD2 3.61Å; L127-L192 HydrophobicContact CG-CG 4.28Å; L127-R193 HydrophobicContact CD1-CG 3.93Å
128	G	93.3	Very high	96.2	Very high	5 Å²	5	43.8 Å²	43.8	5%	0.052	22%	0.219	C	C	.	.			trans	-84.4	177.8	169.3	0	0	0	0	0	112.3	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 3.26Å; G128-D130 VanDerWaalsContact O-N 3.07Å; G128-G131 WeakPolarHBondContact O-CA 3.49Å; G128-G131 PolarHBondContact O-N 3.29Å; G128-R132 PolarHBondContact N-O 3.38Å; G128-L134 VanDerWaalsContact CA-CD1 3.49Å
129	P	88.9	Confident	96.2	Very high	99 Å²	99	45 Å²	45	64%	0.643	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.7	177.7	-25.7	35.8	0	0	0	115.2	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.46Å; G25-P129 WeakPolarHBondContact O-CA 3.34Å; P129-G131 VanDerWaalsContact C-N 3.26Å
130	D	88.9	Confident	96.2	Very high	89 Å²	89	45.8 Å²	45.8	48%	0.476	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5	170.4	77.1	-14.9	0	0	0	113.4	G128 R132	G128-D130 PolarHBondContact O-N 3.26Å; G128-D130 VanDerWaalsContact O-N 3.07Å; D130-R132 PolarHBondContact O-N 3.07Å; D130-R132 VanDerWaalsContact OD1-CB 3.27Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 WeakPolarHBondContact OD1-CG 3.21Å; D130-R132 PolarHBondContact OD1-N 2.82Å; D130-R132 WeakPolarHBondContact OD2-CD 3.4Å; D130-R132 WeakPolarHBondContact OD2-CG 3.08Å; D130-R132 IonicContact OD2-CZ 3.11Å; D130-R132 VanDerWaalsContact OD2-CZ 3.32Å; D130-R132 IonicContact OD2-NE 3.27Å; D130-R132 PolarHBondContact OD2-NE 2.87Å; D130-R132 IonicContact OD2-NH1 2.94Å; D130-R132 PolarHBondContact OD2-NH1 3.44Å
131	G	88.8	Confident	96.2	Very high	20 Å²	20	43 Å²	43	21%	0.206	22%	0.215	C	C	.	.	S	Bend	trans	69.1	9.5	-178	0	0	0	0	0	114.8	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.49Å; G128-G131 PolarHBondContact O-N 3.29Å; P129-G131 VanDerWaalsContact C-N 3.26Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.8Å; G131-R193 PolarHBondContact O-NH2 2.79Å
132	R	93.8	Very high	96.2	Very high	167 Å²	167	42.8 Å²	42.8	63%	0.63	22%	0.215	S	C	*	.			trans	-90.4	153.2	178.4	-60.2	-174.3	-175.4	125.4	-6.9	111.8	L127 G128 D130 L134	L127-R132 WeakPolarHBondContact CA-O 3.44Å; G128-R132 PolarHBondContact N-O 3.38Å; D130-R132 PolarHBondContact O-N 3.07Å; D130-R132 VanDerWaalsContact OD1-CB 3.27Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 WeakPolarHBondContact OD1-CG 3.21Å; D130-R132 PolarHBondContact OD1-N 2.82Å; D130-R132 WeakPolarHBondContact OD2-CD 3.4Å; D130-R132 WeakPolarHBondContact OD2-CG 3.08Å; D130-R132 IonicContact OD2-CZ 3.11Å; D130-R132 VanDerWaalsContact OD2-CZ 3.32Å; D130-R132 IonicContact OD2-NE 3.27Å; D130-R132 PolarHBondContact OD2-NE 2.87Å; D130-R132 IonicContact OD2-NH1 2.94Å; D130-R132 PolarHBondContact OD2-NH1 3.44Å; R132-L134 PolarHBondContact O-N 3.14Å
133	L	96.6	Very high	96.2	Very high	49 Å²	49	44.2 Å²	44.2	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	116.4	174.5	-174.8	75.5	0	0	0	110.7	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.53Å; L133-R135 VanDerWaalsContact CD1-O 3.26Å; L133-R135 WeakPolarHBondContact CD1-O 3.22Å; L133-L154 HydrophobicContact CD2-CD1 4.19Å; L133-E185 HydrophobicContact CD2-CG 3.83Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.19Å
134	L	96.1	Very high	96.1	Very high	121 Å²	121	45.6 Å²	45.6	63%	0.634	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	-44.3	165.7	-68.8	176.1	0	0	0	110.7	D126 G128 R132	D126-L134 PolarHBondContact O-N 3.32Å; G128-L134 VanDerWaalsContact CA-CD1 3.49Å; R132-L134 PolarHBondContact O-N 3.14Å
135	R	96.6	Very high	96.1	Very high	95 Å²	95	53.3 Å²	53.3	36%	0.358	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	143	-171.7	-167.1	165.4	172.3	125	7.4	112.2	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.46Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 2.95Å; D126-R135 PolarHBondContact O-N 3.32Å; L133-R135 VanDerWaalsContact CD1-O 3.26Å; L133-R135 WeakPolarHBondContact CD1-O 3.22Å; R135-Y137 HydrophobicContact CB-CE2 4.06Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.47Å; R135-Y137 HydrophobicContact CG-CD2 4.29Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 PolarHBondContact NE-OH 3.36Å; R135-E152 VanDerWaalsContact CZ-CD 3.46Å; R135-E152 IonicContact CZ-OE1 2.97Å; R135-E152 IonicContact NH1-OE1 3.84Å; R135-E152 PolarHBondContact NH1-OE1 2.62Å; R135-E152 IonicContact NH1-OE2 3.32Å; R135-E152 PolarHBondContact NH1-OE2 2.83Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 3.46Å; R135-E152 PolarHBondContact NH2-OE1 2.76Å
136	G	97.9	Very high	96.2	Very high	6 Å²	6	58.6 Å²	58.6	6%	0.062	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.7	172.4	0	0	0	0	0	111.3
137	Y	98.3	Very high	96.2	Very high	44 Å²	44	57.7 Å²	57.7	17%	0.173	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.4	-175.9	-62.7	-99.7	0	0	0	111	R30 M122 F123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3Å; M122-Y137 HydrophobicContact CE-CD1 3.77Å; M122-Y137 HydrophobicContact CE-CE1 4.46Å; M122-Y137 HydrophobicContact CE-CG 4.02Å; M122-Y137 HydrophobicContact SD-CG 4.41Å; F123-Y137 WeakPolarHBondContact CA-O 3.47Å; F123-Y137 WeakPolarHBondContact CB-O 3.38Å; G124-Y137 PolarHBondContact N-O 2.78Å; G124-Y137 PolarHBondContact O-N 3.48Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.34Å; D126-Y137 PolarHBondContact OD2-OH 3.13Å; R135-Y137 HydrophobicContact CB-CE2 4.06Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.47Å; R135-Y137 HydrophobicContact CG-CD2 4.29Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 PolarHBondContact NE-OH 3.36Å
138	N	98.4	Very high	96.3	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	95.9	164.7	176.2	79.3	0	0	0	109.3	R121 M122 F123 L150 W157	R121-N138 PolarHBondContact NE-OD1 3.31Å; R121-N138 VanDerWaalsContact NE-OD1 3.11Å; R121-N138 PolarHBondContact NH2-OD1 2.96Å; M122-N138 WeakPolarHBondContact O-CA 3.25Å; F123-N138 HydrophobicContact CB-CB 4.15Å; N138-L150 HydrophobicContact CB-CB 4.1Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.37Å; N138-L150 PolarHBondContact O-N 3.33Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.25Å; N138-W157 WeakPolarHBondContact ND2-CZ3 3.37Å
139	Q	98.6	Very high	96.6	Very high	62 Å²	62	58.8 Å²	58.8	29%	0.29	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152	-175.7	66.8	-164.5	83.7	0	0	112	R121 M122 I148 A149	R121-Q139 WeakPolarHBondContact CA-O 3.18Å; M122-Q139 HydrophobicContact CB-CG 4.19Å; M122-Q139 HydrophobicContact CE-CG 4.33Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 3.12Å; M122-Q139 PolarHBondContact O-N 3.2Å; Q139-I148 WeakPolarHBondContact CA-O 3.39Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	F	98.8	Very high	97	Very high	18 Å²	18	54.7 Å²	54.7	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.7	-179.4	-66.9	-105.3	0	0	0	110.3	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.14Å; Q120-F140 CarbonylContact O-C 3.56Å; Q120-F140 VanDerWaalsContact O-CA 3.25Å; Q120-F140 WeakPolarHBondContact O-CA 3.49Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.81Å; R121-F140 HydrophobicContact CB-CG 4.38Å; R121-F140 HydrophobicContact CB-CZ 4.4Å; R121-F140 VanDerWaalsContact CD-CE1 3.46Å; R121-F140 HydrophobicContact CG-CD1 3.85Å; R121-F140 HydrophobicContact CG-CD2 4.25Å; R121-F140 HydrophobicContact CG-CE1 3.57Å; R121-F140 HydrophobicContact CG-CE2 3.97Å; R121-F140 HydrophobicContact CG-CG 4.2Å; R121-F140 HydrophobicContact CG-CZ 3.65Å; F140-Y147 WeakPolarHBondContact O-CB 3.46Å; F140-Y147 PolarHBondContact O-N 2.82Å; F140-I148 HydrophobicContact CB-CG2 4.29Å; F140-I148 HydrophobicContact CD2-CG2 4.2Å; F140-I148 PolarHBondContact N-O 3.4Å; F140-I148 PolarHBondContact O-N 3.14Å; F140-W171 AromaticContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CZ3 4.23Å; F140-W171 AromaticContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CH2 3.45Å; F140-W171 VanDerWaalsContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CZ2 4.45Å; F140-W171 HydrophobicContact CE2-CZ3 4.03Å; F140-W171 AromaticContact CZ-CH2 3.9Å; F140-W171 HydrophobicContact CZ-CH2 3.9Å
141	A	98.8	Very high	97.5	Very high	17 Å²	17	52.5 Å²	52.5	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.2	172.5	0	0	0	0	0	110.2	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 3.03Å; A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.45Å; A141-K145 WeakPolarHBondContact CB-O 3.4Å
142	Y	98.7	Very high	97.9	Very high	12 Å²	12	58 Å²	58	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.9	178.1	-174.2	-123.1	0	0	0	110.3	L102 L105 R106 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 3.98Å; L105-Y142 HydrophobicContact CB-CD1 4.23Å; L105-Y142 HydrophobicContact CB-CD2 4.25Å; L105-Y142 HydrophobicContact CB-CE1 3.83Å; L105-Y142 HydrophobicContact CB-CE2 3.89Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.68Å; L105-Y142 HydrophobicContact CD1-CE2 3.97Å; L105-Y142 HydrophobicContact CD1-CG 4.08Å; L105-Y142 HydrophobicContact CG-CD2 4.48Å; R106-Y142 PolarHBondContact N-OH 2.99Å; 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 3.46Å; Y109-Y142 HydrophobicContact CE2-CD1 3.46Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.46Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Q111-Y142 PolarHBondContact OE1-OH 3.06Å; H117-Y142 HydrophobicContact CB-CE2 3.9Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.17Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.38Å; Y142-G144 PolarHBondContact O-N 3.21Å; Y142-G144 VanDerWaalsContact O-N 3.13Å; Y142-K145 PolarHBondContact N-O 2.84Å; Y142-K145 PolarHBondContact O-N 3.28Å
143	D	97.9	Very high	98	Very high	58 Å²	58	53.5 Å²	53.5	31%	0.31	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	41.4	-174.8	-63.9	-19.8	0	0	0	113.1	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 3.48Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.09Å; H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 2.69Å; H117-D143 IonicContact CG-OD1 2.88Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 3.82Å; H117-D143 PolarHBondContact ND1-OD1 2.79Å; H117-D143 IonicContact ND1-OD2 3.7Å; H117-D143 PolarHBondContact ND1-OD2 2.83Å; T118-D143 PolarHBondContact N-OD1 3.47Å; T118-D143 PolarHBondContact O-N 3.09Å
144	G	97.3	Very high	98.1	Very high	60 Å²	60	51.7 Å²	51.7	62%	0.619	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	9	178	0	0	0	0	0	116	Y142	Y142-G144 PolarHBondContact O-N 3.21Å; Y142-G144 VanDerWaalsContact O-N 3.13Å
145	K	98.4	Very high	98.2	Very high	162 Å²	162	53.7 Å²	53.7	70%	0.704	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	147	179.9	-61.1	175.9	-176.1	174.6	0	111.2	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.45Å; A141-K145 WeakPolarHBondContact CB-O 3.4Å; Y142-K145 PolarHBondContact N-O 2.84Å; Y142-K145 PolarHBondContact O-N 3.28Å; K145-Y147 PolarHBondContact O-N 3.43Å
146	D	98.7	Very high	98.2	Very high	112 Å²	112	51.1 Å²	51.1	60%	0.599	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	137.5	173.5	-71.1	-55.1	0	0	0	111.6	A160	D146-A160 WeakPolarHBondContact O-CB 3.46Å
147	Y	98.8	Very high	98.2	Very high	8 Å²	8	51.3 Å²	51.3	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-62.1	179.5	179.4	-105.7	0	0	0	110.5	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.32Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 HydrophobicContact CD2-CG 4.45Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.34Å; Y109-Y147 HydrophobicContact CE2-CE2 4.06Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.45Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.36Å; F140-Y147 WeakPolarHBondContact O-CB 3.46Å; F140-Y147 PolarHBondContact O-N 2.82Å; K145-Y147 PolarHBondContact O-N 3.43Å; Y147-A160 WeakPolarHBondContact O-CB 3.33Å; Y147-A160 PolarHBondContact O-N 2.87Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.81Å; Y147-A164 HydrophobicContact CD2-CB 3.92Å; Y147-A164 HydrophobicContact CE1-CB 4.45Å; Y147-A164 HydrophobicContact CE2-CB 3.79Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.33Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.36Å
148	I	98.8	Very high	98.3	Very high	4 Å²	4	53 Å²	53	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	138.2	177.7	-161.2	175.4	0	0	0	111.2	Q139 F140 W157 T158 A159 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.39Å; F140-I148 HydrophobicContact CB-CG2 4.29Å; F140-I148 HydrophobicContact CD2-CG2 4.2Å; F140-I148 PolarHBondContact N-O 3.4Å; F140-I148 PolarHBondContact O-N 3.14Å; I148-W157 HydrophobicContact CD1-CB 4.13Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.24Å; I148-W157 HydrophobicContact CD1-CG 4.38Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.16Å; I148-T158 WeakPolarHBondContact CA-O 3.28Å; I148-T158 WeakPolarHBondContact CG1-O 3.18Å; I148-A159 HydrophobicContact CG1-CB 4.45Å; I148-T167 HydrophobicContact CD1-CG2 4.04Å; I148-T167 HydrophobicContact CG2-CG2 4.43Å; I148-Q168 HydrophobicContact CD1-CB 3.89Å; I148-W171 HydrophobicContact CD1-CE3 4Å; I148-W171 HydrophobicContact CD1-CZ3 4.19Å; I148-W171 HydrophobicContact CG2-CE3 4.34Å; I148-W171 HydrophobicContact CG2-CH2 3.89Å; I148-W171 HydrophobicContact CG2-CZ3 3.49Å; I148-W171 VanDerWaalsContact CG2-CZ3 3.49Å
149	A	98.8	Very high	98.3	Very high	29 Å²	29	53.9 Å²	53.9	24%	0.24	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.3	177.7	0	0	0	0	0	111.4	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 CarbonylContact O-C 3.5Å; A149-W157 WeakPolarHBondContact O-CA 3.28Å; A149-T158 PolarHBondContact N-O 2.91Å; A149-T158 PolarHBondContact O-N 2.74Å
150	L	98.8	Very high	98.3	Very high	13 Å²	13	54 Å²	54	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.7	164.8	-175.4	68.8	0	0	0	108.3	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.1Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.37Å; N138-L150 PolarHBondContact O-N 3.33Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 3.99Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.71Å; L150-W157 HydrophobicContact CD1-CD2 4.15Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-A177 HydrophobicContact CD1-CB 3.96Å; L150-R180 HydrophobicContact CD2-CB 3.94Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.4	Very high	98.2	Very high	42 Å²	42	55.6 Å²	55.6	23%	0.225	31%	0.309	C	S	.	.			trans	-76.8	166.2	-178.9	-66	-21.5	0	0	0	111.8	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.46Å; N151-D153 VanDerWaalsContact O-N 3.12Å; N151-L154 WeakPolarHBondContact O-CA 3.24Å; N151-L154 PolarHBondContact O-N 3.11Å; N151-S156 WeakPolarHBondContact CB-O 3.33Å; N151-S156 PolarHBondContact N-O 2.88Å; N151-S156 PolarHBondContact ND2-OG 2.81Å; N151-T158 PolarHBondContact ND2-OG1 3.2Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-N 3.38Å; N151-T158 PolarHBondContact OD1-OG1 3.33Å
152	E	97.2	Very high	98.2	Very high	137 Å²	137	60 Å²	60	64%	0.64	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.9	-177.6	-59.4	-179.2	-167.6	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.46Å; R135-E152 IonicContact CZ-OE1 2.97Å; R135-E152 IonicContact NH1-OE1 3.84Å; R135-E152 PolarHBondContact NH1-OE1 2.62Å; R135-E152 IonicContact NH1-OE2 3.32Å; R135-E152 PolarHBondContact NH1-OE2 2.83Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 3.46Å; R135-E152 PolarHBondContact NH2-OE1 2.76Å; E152-L154 PolarHBondContact O-N 2.91Å
153	D	97.1	Very high	98.2	Very high	72 Å²	72	59.7 Å²	59.7	39%	0.385	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.4	172.8	70.9	-3.3	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.46Å; N151-D153 VanDerWaalsContact O-N 3.12Å; D153-R155 HydrophobicContact CB-CB 4.49Å; D153-R155 WeakPolarHBondContact O-CD 3.44Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.42Å; D153-R155 PolarHBondContact O-N 3.4Å; D153-R155 PolarHBondContact OD1-N 3.21Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 3.29Å; D153-S156 PolarHBondContact OD1-OG 3.4Å; D153-S156 WeakPolarHBondContact OD2-CB 3.01Å; D153-S156 PolarHBondContact OD2-N 2.66Å; D153-S156 PolarHBondContact OD2-OG 3.45Å
154	L	97.8	Very high	98.2	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.052	32%	0.32	C	S	.	.	S	Bend	trans	52.3	28.2	-172.6	-54.3	-178.6	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.19Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 WeakPolarHBondContact O-CA 3.24Å; N151-L154 PolarHBondContact O-N 3.11Å; E152-L154 PolarHBondContact O-N 2.91Å; L154-R181 HydrophobicContact CB-CB 4.01Å; L154-R181 HydrophobicContact CB-CG 3.74Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; L154-R181 WeakPolarHBondContact O-CD 3.48Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L154-E185 HydrophobicContact CD1-CG 4.18Å
155	R	97.4	Very high	98.3	Very high	163 Å²	163	57.3 Å²	57.3	62%	0.615	31%	0.306	S	S	*	.	S	Bend	trans	-135.2	-37.6	-172.5	-69.7	159.3	-175.8	-93.7	5.3	113.2	D153 A177	D153-R155 HydrophobicContact CB-CB 4.49Å; D153-R155 WeakPolarHBondContact O-CD 3.44Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.42Å; D153-R155 PolarHBondContact O-N 3.4Å; D153-R155 PolarHBondContact OD1-N 3.21Å; R155-A177 WeakPolarHBondContact O-CB 3.43Å
156	S	97.8	Very high	98.3	Very high	42 Å²	42	52.4 Å²	52.4	29%	0.294	29%	0.286	S	S	.	.			trans	-107.8	165.2	-179.5	61.7	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.33Å; N151-S156 PolarHBondContact N-O 2.88Å; N151-S156 PolarHBondContact ND2-OG 2.81Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 3.29Å; D153-S156 PolarHBondContact OD1-OG 3.4Å; D153-S156 WeakPolarHBondContact OD2-CB 3.01Å; D153-S156 PolarHBondContact OD2-N 2.66Å; D153-S156 PolarHBondContact OD2-OG 3.45Å
157	W	98.6	Very high	98.2	Very high	9 Å²	9	48 Å²	48	3%	0.034	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.9	-178.9	-59.1	91.2	0	0	0	110.7	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.25Å; N138-W157 WeakPolarHBondContact ND2-CZ3 3.37Å; I148-W157 HydrophobicContact CD1-CB 4.13Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.24Å; I148-W157 HydrophobicContact CD1-CG 4.38Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.16Å; A149-W157 CarbonylContact O-C 3.5Å; A149-W157 WeakPolarHBondContact O-CA 3.28Å; L150-W157 HydrophobicContact CB-CE3 3.99Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.71Å; L150-W157 HydrophobicContact CD1-CD2 4.15Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; W157-Q168 HydrophobicContact CB-CG 4.24Å; W157-Q168 PolarHBondContact O-NE2 2.72Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.92Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CH2-CD2 4.49Å; W157-W171 AromaticContact CH2-CE3 3.48Å; W157-W171 HydrophobicContact CH2-CE3 3.48Å; W157-W171 VanDerWaalsContact CH2-CE3 3.48Å; W157-W171 AromaticContact CH2-CZ3 3.64Å; W157-W171 HydrophobicContact CH2-CZ3 3.64Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.68Å; W157-W171 HydrophobicContact CZ2-CE3 3.68Å; W157-W171 HydrophobicContact CZ2-CZ3 4.32Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; 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 4.1Å; W157-A177 HydrophobicContact CZ2-CB 4.22Å; W157-R180 HydrophobicContact CH2-CG 4.15Å
158	T	98.6	Very high	98.2	Very high	81 Å²	81	49.4 Å²	49.4	50%	0.497	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.7	165	-64.6	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.28Å; I148-T158 WeakPolarHBondContact CG1-O 3.18Å; A149-T158 PolarHBondContact N-O 2.91Å; A149-T158 PolarHBondContact O-N 2.74Å; N151-T158 PolarHBondContact ND2-OG1 3.2Å; N151-T158 WeakPolarHBondContact OD1-CB 3.22Å; N151-T158 PolarHBondContact OD1-N 3.38Å; N151-T158 PolarHBondContact OD1-OG1 3.33Å
159	A	98.6	Very high	98.2	Very high	21 Å²	21	56.4 Å²	56.4	17%	0.174	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.7	176.1	0	0	0	0	0	110	I148 A164 Q165 Q168	I148-A159 HydrophobicContact CG1-CB 4.45Å; A159-A164 HydrophobicContact CB-CB 3.66Å; A159-Q165 HydrophobicContact CB-CG 4.08Å; A159-Q168 HydrophobicContact CB-CB 4.36Å; A159-Q168 VanDerWaalsContact CB-OE1 3.31Å
160	A	98.4	Very high	98.2	Very high	64 Å²	64	60.4 Å²	60.4	53%	0.529	31%	0.308	S	S	.	.	S	Bend	trans	-72.1	-31.2	-174.9	0	0	0	0	0	113.6	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.46Å; Y147-A160 WeakPolarHBondContact O-CB 3.33Å; Y147-A160 PolarHBondContact O-N 2.87Å
161	D	98.3	Very high	98.2	Very high	51 Å²	51	62 Å²	62	27%	0.273	31%	0.313	S	S	.	.	S	Bend	trans	-148.9	-173.6	-177.2	68.9	31.4	0	0	0	113.7	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.3Å; Y109-D161 PolarHBondContact OH-OD1 3.26Å; Y109-D161 PolarHBondContact OH-OD2 3.45Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.98Å; D161-A163 WeakPolarHBondContact OD1-CA 3.37Å; D161-A163 WeakPolarHBondContact OD1-CB 3.35Å; D161-A163 PolarHBondContact OD1-N 3.25Å; D161-A164 PolarHBondContact O-N 2.94Å; D161-A164 PolarHBondContact OD1-N 3.41Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 2.9Å
162	T	98.1	Very high	98.2	Very high	111 Å²	111	64.1 Å²	64.1	68%	0.681	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.1	-179.2	50.6	0	0	0	0	114.5
163	A	98	Very high	98.2	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.033	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-42.7	172.2	0	0	0	0	0	110.5	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CE1-CB 3.69Å; Y109-A163 HydrophobicContact CE2-CB 4.02Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.81Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.98Å; D161-A163 WeakPolarHBondContact OD1-CA 3.37Å; D161-A163 WeakPolarHBondContact OD1-CB 3.35Å; D161-A163 PolarHBondContact OD1-N 3.25Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.74Å; A163-I166 WeakPolarHBondContact O-CA 3.17Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 2.86Å
164	A	98.4	Very high	98.2	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.1	-37.2	172.7	0	0	0	0	0	112.6	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.92Å; Y147-A164 HydrophobicContact CE1-CB 4.45Å; Y147-A164 HydrophobicContact CE2-CB 3.79Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.33Å; A159-A164 HydrophobicContact CB-CB 3.66Å; D161-A164 PolarHBondContact O-N 2.94Å; D161-A164 PolarHBondContact OD1-N 3.41Å; A164-I166 PolarHBondContact O-N 3.48Å; A164-T167 WeakPolarHBondContact O-CA 3.21Å; A164-T167 WeakPolarHBondContact O-CB 3.5Å; A164-T167 PolarHBondContact O-N 2.85Å; A164-Q168 PolarHBondContact O-N 3.25Å
165	Q	98.6	Very high	98.2	Very high	69 Å²	69	68 Å²	68	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-26.2	171.8	-73.7	175.3	25.9	0	0	113.7	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.08Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 2.9Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.74Å; Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 3.12Å; Q165-R169 VanDerWaalsContact O-N 3.16Å
166	I	98.3	Very high	98.2	Very high	59 Å²	59	62 Å²	62	30%	0.303	33%	0.334	S	S	.	.	H	α-helix	trans	-71.4	-36.4	174	-53.3	172.1	0	0	0	110.4	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4Å; Y108-I166 HydrophobicContact CE2-CB 4.09Å; Y108-I166 HydrophobicContact CE2-CG2 4.08Å; Y108-I166 HydrophobicContact CG-CD1 4.2Å; A163-I166 WeakPolarHBondContact O-CA 3.17Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 2.86Å; A164-I166 PolarHBondContact O-N 3.48Å; I166-K170 HydrophobicContact CG2-CD 4.45Å; I166-K170 WeakPolarHBondContact O-CD 3.3Å; I166-K170 VanDerWaalsContact O-CG 3.25Å; I166-K170 WeakPolarHBondContact O-CG 3.37Å
167	T	98.3	Very high	98.3	Very high	18 Å²	18	60.4 Å²	60.4	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-70.2	-47	171.5	-72.5	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 PolarHBondContact OH-OG1 3.36Å; I148-T167 HydrophobicContact CD1-CG2 4.04Å; I148-T167 HydrophobicContact CG2-CG2 4.43Å; A164-T167 WeakPolarHBondContact O-CA 3.21Å; A164-T167 WeakPolarHBondContact O-CB 3.5Å; A164-T167 PolarHBondContact O-N 2.85Å; T167-R169 PolarHBondContact O-N 2.83Å; T167-K170 WeakPolarHBondContact O-CB 3.16Å; T167-K170 PolarHBondContact O-N 3.19Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.52Å; T167-W171 VanDerWaalsContact CG2-CE2 3.44Å; T167-W171 HydrophobicContact CG2-CE3 3.84Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 3.96Å; T167-W171 HydrophobicContact CG2-CZ2 3.68Å; T167-W171 HydrophobicContact CG2-CZ3 4.05Å; T167-W171 PolarHBondContact O-N 2.97Å
168	Q	98.6	Very high	98.2	Very high	38 Å²	38	65.2 Å²	65.2	18%	0.178	35%	0.346	C	S	.	.	H	α-helix	trans	-50.3	-56.9	179.2	175.6	172.2	7.7	0	0	112	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.89Å; W157-Q168 HydrophobicContact CB-CG 4.24Å; W157-Q168 PolarHBondContact O-NE2 2.72Å; A159-Q168 HydrophobicContact CB-CB 4.36Å; A159-Q168 VanDerWaalsContact CB-OE1 3.31Å; A164-Q168 PolarHBondContact O-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.18Å; Q168-K170 VanDerWaalsContact O-N 3.15Å; Q168-W171 PolarHBondContact O-N 2.94Å; Q168-E172 VanDerWaalsContact CG-CD 3.43Å; Q168-E172 HydrophobicContact CG-CG 4.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.25Å; Q168-E172 PolarHBondContact NE2-OE1 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.32Å; Q168-E172 PolarHBondContact O-N 2.85Å
169	R	98.6	Very high	98.1	Very high	152 Å²	152	67.1 Å²	67.1	57%	0.574	35%	0.35	S	S	*	.	H	α-helix	trans	-59.1	-31.8	-178.6	-65.9	168.1	-163.3	155.8	10.1	112.9	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 3.12Å; Q165-R169 VanDerWaalsContact O-N 3.16Å; T167-R169 PolarHBondContact O-N 2.83Å; R169-A173 VanDerWaalsContact O-CB 3.28Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 3.01Å; R169-A173 VanDerWaalsContact O-N 3.16Å
170	K	98	Very high	98.1	Very high	112 Å²	112	69.4 Å²	69.4	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-74.6	-38.9	176.4	-69.1	172.7	-174	179.5	0	111.8	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.15Å; I166-K170 HydrophobicContact CG2-CD 4.45Å; I166-K170 WeakPolarHBondContact O-CD 3.3Å; I166-K170 VanDerWaalsContact O-CG 3.25Å; I166-K170 WeakPolarHBondContact O-CG 3.37Å; T167-K170 WeakPolarHBondContact O-CB 3.16Å; T167-K170 PolarHBondContact O-N 3.19Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 PolarHBondContact O-N 3.18Å; Q168-K170 VanDerWaalsContact O-N 3.15Å; K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 3.41Å
171	W	98.2	Very high	98.1	Very high	47 Å²	47	69.9 Å²	69.9	18%	0.178	34%	0.342	C	S	.	.	H	α-helix	trans	-74.5	-33.6	178.4	-75.7	2.2	0	0	0	113	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CZ3 4.23Å; F140-W171 AromaticContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CH2 3.45Å; F140-W171 VanDerWaalsContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CZ2 4.45Å; F140-W171 HydrophobicContact CE2-CZ3 4.03Å; F140-W171 AromaticContact CZ-CH2 3.9Å; F140-W171 HydrophobicContact CZ-CH2 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4Å; I148-W171 HydrophobicContact CD1-CZ3 4.19Å; I148-W171 HydrophobicContact CG2-CE3 4.34Å; I148-W171 HydrophobicContact CG2-CH2 3.89Å; I148-W171 HydrophobicContact CG2-CZ3 3.49Å; I148-W171 VanDerWaalsContact CG2-CZ3 3.49Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.92Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CH2-CD2 4.49Å; W157-W171 AromaticContact CH2-CE3 3.48Å; W157-W171 HydrophobicContact CH2-CE3 3.48Å; W157-W171 VanDerWaalsContact CH2-CE3 3.48Å; W157-W171 AromaticContact CH2-CZ3 3.64Å; W157-W171 HydrophobicContact CH2-CZ3 3.64Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.68Å; W157-W171 HydrophobicContact CZ2-CE3 3.68Å; W157-W171 HydrophobicContact CZ2-CZ3 4.32Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; 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 3.52Å; T167-W171 VanDerWaalsContact CG2-CE2 3.44Å; T167-W171 HydrophobicContact CG2-CE3 3.84Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 3.96Å; T167-W171 HydrophobicContact CG2-CZ2 3.68Å; T167-W171 HydrophobicContact CG2-CZ3 4.05Å; T167-W171 PolarHBondContact O-N 2.97Å; Q168-W171 PolarHBondContact O-N 2.94Å; W171-A174 CarbonylContact O-C 3.55Å; W171-R175 PolarHBondContact O-N 2.86Å; W171-E176 HydrophobicContact CB-CB 3.91Å; W171-E176 HydrophobicContact CB-CG 4.05Å; W171-E176 HydrophobicContact CG-CB 4.07Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 2.93Å
172	E	98.4	Very high	98.1	Very high	87 Å²	87	70.6 Å²	70.6	41%	0.407	36%	0.355	S	S	.	.	H	α-helix	trans	-65.6	-49.6	170.2	-70.7	166.4	165.5	0	0	110.8	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.43Å; Q168-E172 HydrophobicContact CG-CG 4.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.25Å; Q168-E172 PolarHBondContact NE2-OE1 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.32Å; Q168-E172 PolarHBondContact O-N 2.85Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.78Å; E172-R175 PolarHBondContact O-N 3.34Å
173	A	98.3	Very high	98.1	Very high	89 Å²	89	68.1 Å²	68.1	74%	0.736	33%	0.334	S	S	*	.	H	α-helix	trans	-61.5	-33	176	0	0	0	0	0	113.3	R169	R169-A173 VanDerWaalsContact O-CB 3.28Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 3.01Å; R169-A173 VanDerWaalsContact O-N 3.16Å
174	A	97.9	Very high	98.1	Very high	54 Å²	54	68 Å²	68	45%	0.446	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.3	175.8	0	0	0	0	0	114.4	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 3.41Å; W171-A174 CarbonylContact O-C 3.55Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.78Å; A174-E176 HydrophobicContact CB-CG 4.26Å; A174-E176 PolarHBondContact O-N 3.45Å
175	R	97.6	Very high	98.1	Very high	156 Å²	156	71.9 Å²	71.9	59%	0.589	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	34.3	-175.9	-61.7	172.1	173	-122.5	8.8	114.4	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 3.34Å; R175-A177 PolarHBondContact O-N 2.87Å; R175-A177 VanDerWaalsContact O-N 3.12Å; R175-E178 HydrophobicContact CB-CG 4.15Å; R175-E178 WeakPolarHBondContact CD-OE1 3.47Å; R175-E178 IonicContact CZ-OE1 2.77Å; R175-E178 IonicContact NE-OE1 3.38Å; R175-E178 IonicContact NH1-OE1 2.7Å; R175-E178 PolarHBondContact NH1-OE1 2.66Å; R175-E178 IonicContact NH1-OE2 2.73Å; R175-E178 WeakPolarHBondContact O-CB 3.33Å; R175-E178 PolarHBondContact O-N 2.92Å
176	E	97.4	Very high	98	Very high	38 Å²	38	69.7 Å²	69.7	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-54.1	-35.6	-179.2	-81.2	-83.8	169.2	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.1Å; W171-E176 HydrophobicContact CB-CB 3.91Å; W171-E176 HydrophobicContact CB-CG 4.05Å; W171-E176 HydrophobicContact CG-CB 4.07Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 2.93Å; A174-E176 HydrophobicContact CB-CG 4.26Å; A174-E176 PolarHBondContact O-N 3.45Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 3.12Å; E176-Q179 PolarHBondContact O-N 2.77Å; E176-Q179 VanDerWaalsContact O-N 3.09Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.81Å; E176-R180 IonicContact OE2-CZ 3.11Å; E176-R180 IonicContact OE2-NE 2.79Å; E176-R180 PolarHBondContact OE2-NE 3.42Å; E176-R180 IonicContact OE2-NH2 2.66Å; E176-R180 PolarHBondContact OE2-NH2 2.97Å
177	A	98.2	Very high	98	Very high	9 Å²	9	69.2 Å²	69.2	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-58.3	-37.6	176.9	0	0	0	0	0	112.8	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 3.96Å; R155-A177 WeakPolarHBondContact O-CB 3.43Å; W157-A177 HydrophobicContact CZ2-CB 4.22Å; R175-A177 PolarHBondContact O-N 2.87Å; R175-A177 VanDerWaalsContact O-N 3.12Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 3.28Å; A177-R180 PolarHBondContact O-N 2.92Å; A177-R181 WeakPolarHBondContact O-CB 3.4Å; A177-R181 PolarHBondContact O-N 3.22Å
178	E	97.9	Very high	98	Very high	109 Å²	109	68.4 Å²	68.4	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-39.8	176.5	-62.2	178	-175	0	0	111.1	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.15Å; R175-E178 WeakPolarHBondContact CD-OE1 3.47Å; R175-E178 IonicContact CZ-OE1 2.77Å; R175-E178 IonicContact NE-OE1 3.38Å; R175-E178 IonicContact NH1-OE1 2.7Å; R175-E178 PolarHBondContact NH1-OE1 2.66Å; R175-E178 IonicContact NH1-OE2 2.73Å; R175-E178 WeakPolarHBondContact O-CB 3.33Å; R175-E178 PolarHBondContact O-N 2.92Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 3.12Å; E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 2.79Å
179	Q	96.6	Very high	98	Very high	121 Å²	121	67 Å²	67	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-71.6	-41.4	177.4	-58.1	-175.8	31.2	0	0	112.4	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 2.77Å; E176-Q179 VanDerWaalsContact O-N 3.09Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 3.28Å; Q179-A182 PolarHBondContact O-N 2.91Å; Q179-Y183 PolarHBondContact O-N 2.91Å; Q179-Y183 VanDerWaalsContact O-N 3.15Å
180	R	97.8	Very high	97.9	Very high	70 Å²	70	65.5 Å²	65.5	26%	0.264	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-44.4	176	-56.9	-56	152.9	-171.4	-8.3	110.7	L150 W157 E176 A177 Y183 L184	L150-R180 HydrophobicContact CD2-CB 3.94Å; W157-R180 HydrophobicContact CH2-CG 4.15Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.81Å; E176-R180 IonicContact OE2-CZ 3.11Å; E176-R180 IonicContact OE2-NE 2.79Å; E176-R180 PolarHBondContact OE2-NE 3.42Å; E176-R180 IonicContact OE2-NH2 2.66Å; E176-R180 PolarHBondContact OE2-NH2 2.97Å; A177-R180 PolarHBondContact O-N 2.92Å; R180-Y183 PolarHBondContact O-N 2.92Å; R180-L184 WeakPolarHBondContact O-CB 3.43Å; R180-L184 VanDerWaalsContact O-CG 3.22Å; R180-L184 WeakPolarHBondContact O-CG 3.26Å; R180-L184 PolarHBondContact O-N 3.1Å
181	R	98.3	Very high	97.9	Very high	74 Å²	74	62.4 Å²	62.4	28%	0.279	32%	0.32	S	S	.	.	H	α-helix	trans	-60	-46.1	176.1	-173.9	169.8	176.9	-103.2	-17.7	112.1	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.01Å; L154-R181 HydrophobicContact CB-CG 3.74Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; L154-R181 WeakPolarHBondContact O-CD 3.48Å; A177-R181 WeakPolarHBondContact O-CB 3.4Å; A177-R181 PolarHBondContact O-N 3.22Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.65Å; R181-L184 PolarHBondContact O-N 3.36Å; R181-L184 VanDerWaalsContact O-N 3.14Å; R181-E185 VanDerWaalsContact CG-CD 3.47Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 WeakPolarHBondContact CG-OE2 3.32Å; R181-E185 VanDerWaalsContact CZ-CD 3.49Å; R181-E185 IonicContact CZ-OE1 2.66Å; R181-E185 IonicContact CZ-OE2 2.69Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 2.74Å; R181-E185 PolarHBondContact NE-OE1 2.92Å; R181-E185 IonicContact NE-OE2 3.03Å; R181-E185 PolarHBondContact NE-OE2 3.33Å; R181-E185 IonicContact NH1-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 3.12Å; R181-E185 IonicContact NH2-OE2 2.76Å; R181-E185 PolarHBondContact NH2-OE2 3.16Å; R181-E185 WeakPolarHBondContact O-CB 3.35Å; R181-E185 WeakPolarHBondContact O-CG 3.2Å; R181-E185 PolarHBondContact O-N 2.82Å
182	A	98.3	Very high	97.9	Very high	66 Å²	66	60.1 Å²	60.1	55%	0.545	31%	0.312	S	S	.	.	H	α-helix	trans	-60.4	-38.7	176.6	0	0	0	0	0	113.1	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 2.79Å; Q179-A182 PolarHBondContact O-N 2.91Å; A182-G186 PolarHBondContact O-N 3.4Å
183	Y	98	Very high	97.8	Very high	58 Å²	58	62 Å²	62	23%	0.227	32%	0.315	C	S	.	.	I	π-helix	trans	-67.5	-42.7	172.5	171.8	-96.7	0	0	0	112.3	F123 Q179 R180 R181 T187 C188	F123-Y183 AromaticContact CD2-CE1 3.86Å; F123-Y183 HydrophobicContact CD2-CE1 3.86Å; F123-Y183 AromaticContact CE2-CE1 3.84Å; F123-Y183 HydrophobicContact CE2-CE1 3.84Å; Q179-Y183 PolarHBondContact O-N 2.91Å; Q179-Y183 VanDerWaalsContact O-N 3.15Å; R180-Y183 PolarHBondContact O-N 2.92Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.65Å; Y183-T187 HydrophobicContact CD2-CG2 3.93Å; Y183-T187 HydrophobicContact CE2-CG2 3.74Å; Y183-T187 PolarHBondContact O-N 2.86Å; Y183-C188 HydrophobicContact CD1-CB 4.41Å; Y183-C188 HydrophobicContact CE1-CB 3.98Å; Y183-C188 WeakPolarHBondContact O-CB 3.42Å; Y183-C188 PolarHBondContact O-N 3.15Å
184	L	98.4	Very high	97.7	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	30%	0.301	C	S	.	.	I	π-helix	trans	-73.5	-38	-175.4	-71.2	171.7	0	0	0	113.4	G124 L150 L154 R180 R181 C188 V189	G124-L184 WeakPolarHBondContact O-CD2 3.46Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 4Å; R180-L184 WeakPolarHBondContact O-CB 3.43Å; R180-L184 VanDerWaalsContact O-CG 3.22Å; R180-L184 WeakPolarHBondContact O-CG 3.26Å; R180-L184 PolarHBondContact O-N 3.1Å; R181-L184 PolarHBondContact O-N 3.36Å; R181-L184 VanDerWaalsContact O-N 3.14Å; L184-C188 HydrophobicContact CD2-CB 4.46Å; L184-V189 WeakPolarHBondContact O-CG2 3.4Å
185	E	98	Very high	97.6	Very high	82 Å²	82	60.8 Å²	60.8	38%	0.383	28%	0.28	S	S	.	.	I	π-helix	trans	-81.3	-26.7	178.6	-66.8	-178.6	158.9	0	0	113.3	L133 L154 R181	L133-E185 HydrophobicContact CD2-CG 3.83Å; L154-E185 HydrophobicContact CD1-CG 4.18Å; R181-E185 VanDerWaalsContact CG-CD 3.47Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 WeakPolarHBondContact CG-OE2 3.32Å; R181-E185 VanDerWaalsContact CZ-CD 3.49Å; R181-E185 IonicContact CZ-OE1 2.66Å; R181-E185 IonicContact CZ-OE2 2.69Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 2.74Å; R181-E185 PolarHBondContact NE-OE1 2.92Å; R181-E185 IonicContact NE-OE2 3.03Å; R181-E185 PolarHBondContact NE-OE2 3.33Å; R181-E185 IonicContact NH1-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 3.12Å; R181-E185 IonicContact NH2-OE2 2.76Å; R181-E185 PolarHBondContact NH2-OE2 3.16Å; R181-E185 WeakPolarHBondContact O-CB 3.35Å; R181-E185 WeakPolarHBondContact O-CG 3.2Å; R181-E185 PolarHBondContact O-N 2.82Å
186	G	97.8	Very high	97.5	Very high	23 Å²	23	54 Å²	54	24%	0.237	26%	0.255	C	S	.	.	I	π-helix	trans	-105.4	-92.1	178.1	0	0	0	0	0	112.3	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.4Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.01Å; G186-C188 VanDerWaalsContact O-N 3.1Å; G186-V189 WeakPolarHBondContact O-CB 3.39Å; G186-V189 PolarHBondContact O-N 2.89Å; G186-E190 WeakPolarHBondContact O-CG 3.43Å; G186-E190 PolarHBondContact O-N 3.44Å
187	T	97.7	Very high	97.4	Very high	49 Å²	49	57.8 Å²	57.8	30%	0.301	27%	0.273	S	S	.	.	I	π-helix	trans	-52.5	-38.1	-169	-54	0	0	0	0	114.4	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.93Å; Y183-T187 HydrophobicContact CE2-CG2 3.74Å; Y183-T187 PolarHBondContact O-N 2.86Å; T187-E190 WeakPolarHBondContact CA-OE2 3.48Å; T187-E190 PolarHBondContact O-N 3.04Å; T187-W191 VanDerWaalsContact O-CD1 3.25Å; T187-W191 PolarHBondContact O-N 2.84Å
188	C	98.3	Very high	97.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65	-46.9	178.7	-166.3	0	0	0	0	111.4	M29 C125 Y183 L184 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.39Å; M29-C188 WeakPolarHBondContact CE-SG 3.39Å; C125-C188 HydrophobicContact CB-CB 3.84Å; C125-C188 WeakPolarHBondContact CB-SG 3.37Å; C125-C188 PolarHBondContact N-SG 3.08Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 PolarHBondContact SG-O 3.14Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 2.94Å; Y183-C188 HydrophobicContact CD1-CB 4.41Å; Y183-C188 HydrophobicContact CE1-CB 3.98Å; Y183-C188 WeakPolarHBondContact O-CB 3.42Å; Y183-C188 PolarHBondContact O-N 3.15Å; L184-C188 HydrophobicContact CD2-CB 4.46Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.01Å; G186-C188 VanDerWaalsContact O-N 3.1Å; C188-E190 PolarHBondContact O-N 2.88Å; C188-W191 PolarHBondContact O-N 3.15Å; C188-L192 WeakPolarHBondContact O-CB 3.42Å; C188-L192 PolarHBondContact O-N 2.92Å
189	V	98.1	Very high	97	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-43.4	175.6	-178.9	0	0	0	0	111.3	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD1-CG1 4.47Å; L127-V189 HydrophobicContact CD2-CB 4.24Å; L127-V189 HydrophobicContact CD2-CG1 3.84Å; L127-V189 HydrophobicContact CD2-CG2 3.93Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.19Å; L184-V189 WeakPolarHBondContact O-CG2 3.4Å; G186-V189 WeakPolarHBondContact O-CB 3.39Å; G186-V189 PolarHBondContact O-N 2.89Å; V189-R193 WeakPolarHBondContact O-CB 3.32Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 3.04Å; V189-R193 VanDerWaalsContact O-N 3.08Å
190	E	97.8	Very high	96.8	Very high	120 Å²	120	53.2 Å²	53.2	56%	0.561	25%	0.251	S	S	*	.	H	α-helix	trans	-61.8	-47.9	179.7	-68.8	170.5	159.2	0	0	112.4	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.43Å; G186-E190 PolarHBondContact O-N 3.44Å; T187-E190 WeakPolarHBondContact CA-OE2 3.48Å; T187-E190 PolarHBondContact O-N 3.04Å; C188-E190 PolarHBondContact O-N 2.88Å; E190-R194 PolarHBondContact O-N 2.7Å; E190-R194 VanDerWaalsContact O-N 3.15Å
191	W	97.7	Very high	96.3	Very high	47 Å²	47	58.7 Å²	58.7	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-73.6	-38.3	-178.8	-79.9	91.3	0	0	0	112.7	M29 Y83 T187 C188 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.18Å; Y83-W191 HydrophobicContact CD2-CE3 4.49Å; Y83-W191 AromaticContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CZ2 4.38Å; Y83-W191 AromaticContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CE3 4.18Å; Y83-W191 HydrophobicContact CE2-CH2 4.14Å; Y83-W191 AromaticContact CE2-CZ3 3.77Å; Y83-W191 HydrophobicContact CE2-CZ3 3.77Å; T187-W191 VanDerWaalsContact O-CD1 3.25Å; T187-W191 PolarHBondContact O-N 2.84Å; C188-W191 PolarHBondContact O-N 3.15Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 2.74Å; W191-Y195 HydrophobicContact CB-CE2 4.13Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE2 4.47Å; W191-Y195 AromaticContact CE3-CZ 3.55Å; W191-Y195 VanDerWaalsContact CE3-OH 3.31Å; W191-Y195 HydrophobicContact CZ3-CE1 4.02Å; W191-Y195 VanDerWaalsContact O-CD2 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 PolarHBondContact O-N 3.02Å
192	L	97.9	Very high	95.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-46.6	174.4	173.6	51.3	0	0	0	111.5	M29 V52 L127 C188 R194 Y195 L196	M29-L192 HydrophobicContact CB-CB 3.98Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.19Å; M29-L192 HydrophobicContact CE-CB 4.23Å; M29-L192 HydrophobicContact SD-CB 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.63Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; L127-L192 HydrophobicContact CD1-CB 4.32Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CG-CD2 3.61Å; L127-L192 HydrophobicContact CG-CG 4.28Å; C188-L192 WeakPolarHBondContact O-CB 3.42Å; C188-L192 PolarHBondContact O-N 2.92Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 2.94Å; L192-Y195 PolarHBondContact O-N 2.93Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.16Å; L192-L196 PolarHBondContact O-N 2.87Å
193	R	96.1	Very high	95.2	Very high	125 Å²	125	55.6 Å²	55.6	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-40	174.1	-72.2	172.9	-178.8	173.5	0.7	112.8	L127 G131 V189 E197	L127-R193 HydrophobicContact CD1-CG 3.93Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.8Å; G131-R193 PolarHBondContact O-NH2 2.79Å; V189-R193 WeakPolarHBondContact O-CB 3.32Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 3.04Å; V189-R193 VanDerWaalsContact O-N 3.08Å; R193-E197 PolarHBondContact O-N 3.31Å
194	R	96.2	Very high	94.6	Very high	117 Å²	117	57.1 Å²	57.1	44%	0.442	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-44.5	175.7	178.5	178.2	172.6	108	-5.7	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.25Å; E79-R194 VanDerWaalsContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 2.79Å; E79-R194 PolarHBondContact OE1-NE 2.96Å; E79-R194 IonicContact OE1-NH2 2.95Å; E79-R194 PolarHBondContact OE1-NH2 2.98Å; E79-R194 IonicContact OE2-CZ 3.56Å; E79-R194 IonicContact OE2-NE 3.23Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 3.47Å; E190-R194 PolarHBondContact O-N 2.7Å; E190-R194 VanDerWaalsContact O-N 3.15Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 2.74Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 2.94Å; R194-E197 PolarHBondContact O-N 2.79Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 PolarHBondContact O-N 2.83Å; R194-N198 PolarHBondContact O-OD1 2.99Å
195	Y	96.6	Very high	94.1	Very high	1 Å²	1	62 Å²	62	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-40.1	177.6	-62	-29.6	0	0	0	112.5	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.78Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.84Å; V52-Y195 HydrophobicContact CG2-CG 4.38Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE1-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.32Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.79Å; F57-Y195 HydrophobicContact CZ-CD2 4.17Å; F57-Y195 AromaticContact CZ-CE2 3.57Å; F57-Y195 HydrophobicContact CZ-CE2 3.57Å; W75-Y195 HydrophobicContact CE3-CD1 4.31Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; W75-Y195 HydrophobicContact CZ3-CE1 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.57Å; W75-Y195 HydrophobicContact CZ3-CG 3.57Å; V76-Y195 HydrophobicContact CG2-CE1 4.28Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.32Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.46Å; Y83-Y195 PolarHBondContact OH-OH 2.78Å; W191-Y195 HydrophobicContact CB-CE2 4.13Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE2 4.47Å; W191-Y195 AromaticContact CE3-CZ 3.55Å; W191-Y195 VanDerWaalsContact CE3-OH 3.31Å; W191-Y195 HydrophobicContact CZ3-CE1 4.02Å; W191-Y195 VanDerWaalsContact O-CD2 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 PolarHBondContact O-N 3.02Å; L192-Y195 PolarHBondContact O-N 2.93Å; Y195-E197 VanDerWaalsContact C-N 3.33Å; Y195-E197 PolarHBondContact O-N 3.03Å; Y195-N198 PolarHBondContact O-N 2.84Å; Y195-G199 PolarHBondContact O-N 2.74Å; Y195-L203 WeakPolarHBondContact O-CD1 3.29Å
196	L	95.1	Very high	93.8	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-36	176.2	-70.9	168.3	0	0	0	112.8	H27 V52 L192 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.47Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.33Å; V52-L196 HydrophobicContact CG1-CD2 4.03Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.16Å; L192-L196 PolarHBondContact O-N 2.87Å; L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.46Å; L196-K200 PolarHBondContact O-N 2.99Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.37Å; L196-Q204 PolarHBondContact O-NE2 3.26Å
197	E	94.5	Very high	93.6	Very high	116 Å²	116	61.6 Å²	61.6	54%	0.542	29%	0.29	S	S	.	.	H	α-helix	trans	-78.9	-40.1	174.5	-166.4	63.7	-163	0	0	111.8	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.31Å; R194-E197 PolarHBondContact O-N 2.79Å; Y195-E197 VanDerWaalsContact C-N 3.33Å; Y195-E197 PolarHBondContact O-N 3.03Å; E197-G199 PolarHBondContact O-N 2.92Å; E197-K200 VanDerWaalsContact CD-NZ 3.29Å; E197-K200 WeakPolarHBondContact O-CB 3.27Å; E197-K200 IonicContact OE1-NZ 3.88Å; E197-K200 PolarHBondContact OE1-NZ 2.87Å; E197-K200 IonicContact OE2-NZ 2.77Å; E197-K200 PolarHBondContact OE2-NZ 2.98Å
198	N	95	Very high	93.4	Very high	51 Å²	51	64.5 Å²	64.5	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-44	175.5	-78.5	8.9	0	0	0	112.5	W75 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.42Å; W75-N198 WeakPolarHBondContact CB-O 3.4Å; E79-N198 PolarHBondContact OE1-ND2 3.25Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 PolarHBondContact O-N 2.83Å; R194-N198 PolarHBondContact O-OD1 2.99Å; Y195-N198 PolarHBondContact O-N 2.84Å
199	G	93.4	Very high	93.4	Very high	4 Å²	4	64.6 Å²	64.6	4%	0.041	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	25.1	-175.3	0	0	0	0	0	113.3	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.46Å; Y195-G199 PolarHBondContact O-N 2.74Å; E197-G199 PolarHBondContact O-N 2.92Å; G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-N 2.91Å; G199-T202 PolarHBondContact O-OG1 2.96Å; G199-L203 WeakPolarHBondContact O-CB 3.45Å; G199-L203 WeakPolarHBondContact O-CG 3.32Å; G199-L203 PolarHBondContact O-N 2.89Å
200	K	90.9	Very high	93.4	Very high	89 Å²	89	69.1 Å²	69.1	39%	0.387	32%	0.32	S	S	.	.	H	α-helix	trans	-52.4	-43.3	-170.8	-172.6	169.6	-154.6	146.3	0	114.3	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.46Å; L196-K200 PolarHBondContact O-N 2.99Å; E197-K200 VanDerWaalsContact CD-NZ 3.29Å; E197-K200 WeakPolarHBondContact O-CB 3.27Å; E197-K200 IonicContact OE1-NZ 3.88Å; E197-K200 PolarHBondContact OE1-NZ 2.87Å; E197-K200 IonicContact OE2-NZ 2.77Å; E197-K200 PolarHBondContact OE2-NZ 2.98Å; K200-T202 PolarHBondContact O-N 3.34Å; K200-Q204 HydrophobicContact CG-CB 4.41Å; K200-Q204 HydrophobicContact CG-CG 4.41Å; K200-Q204 WeakPolarHBondContact O-CB 3.42Å; K200-Q204 PolarHBondContact O-N 3.36Å
201	E	87.5	Confident	93.4	Very high	185 Å²	185	65.1 Å²	65.1	86%	0.864	30%	0.304	S	S	*	.	H	α-helix	trans	-66.6	-24.2	-179.1	-59.4	-174.2	158.6	0	0	113.3	G199	G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 2.88Å
202	T	86.1	Confident	93.3	Very high	69 Å²	69	66.8 Å²	66.8	42%	0.423	31%	0.313	S	S	.	.	H	α-helix	trans	-102.3	-34.9	179.3	47.5	0	0	0	0	113.6	W75 G199 K200	W75-T202 VanDerWaalsContact CD1-OG1 3.27Å; G199-T202 PolarHBondContact O-N 2.91Å; G199-T202 PolarHBondContact O-OG1 2.96Å; K200-T202 PolarHBondContact O-N 3.34Å
203	L	88.2	Confident	93.3	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-96.2	-27.5	-171.9	-61.3	172.5	0	0	0	113.5	V52 T55 W75 Y195 L196 G199 H205	V52-L203 HydrophobicContact CB-CD1 4.33Å; V52-L203 HydrophobicContact CB-CD2 4.25Å; V52-L203 HydrophobicContact CG1-CD1 3.94Å; V52-L203 HydrophobicContact CG1-CD2 4.15Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; W75-L203 HydrophobicContact CD2-CD1 4.39Å; W75-L203 HydrophobicContact CH2-CD1 4.2Å; W75-L203 HydrophobicContact CZ2-CD1 3.73Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.29Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.37Å; G199-L203 WeakPolarHBondContact O-CB 3.45Å; G199-L203 WeakPolarHBondContact O-CG 3.32Å; G199-L203 PolarHBondContact O-N 2.89Å; L203-H205 VanDerWaalsContact C-N 3.34Å
204	Q	85.6	Confident	93.3	Very high	91 Å²	91	63.5 Å²	63.5	43%	0.425	31%	0.307	S	S	.	.	S	Bend	trans	-102.7	32.7	176.4	-56.8	178	34.1	0	0	110.8	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.26Å; K200-Q204 HydrophobicContact CG-CB 4.41Å; K200-Q204 HydrophobicContact CG-CG 4.41Å; K200-Q204 WeakPolarHBondContact O-CB 3.42Å; K200-Q204 PolarHBondContact O-N 3.36Å
205	H	87.4	Confident	93.3	Very high	103 Å²	103	60.4 Å²	60.4	48%	0.477	30%	0.298	S	S	.	.			trans	-120.2	148.8	174.2	-177.9	56.3	0	0	0	110.2	L203 Y233	L203-H205 VanDerWaalsContact C-N 3.34Å; H205-Y233 WeakPolarHBondContact O-CD1 3.44Å
206	A	91.4	Very high	93.2	Very high	27 Å²	27	64.3 Å²	64.3	22%	0.223	32%	0.316	C	S	.	.			trans	-126.7	118.8	171.9	0	0	0	0	0	110.3	Y233	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.4Å
207	E	93.2	Very high	93.1	Very high	70 Å²	70	68.5 Å²	68.5	33%	0.327	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-84.3	124.1	171	-85.8	-155.1	-138.2	0	0	109.9	K210 F232 Y233 H287	E207-K210 IonicContact OE2-NZ 3.16Å; E207-K210 PolarHBondContact OE2-NZ 2.86Å; E207-F232 WeakPolarHBondContact O-CA 3.16Å; E207-F232 VanDerWaalsContact O-CB 3.25Å; E207-F232 WeakPolarHBondContact O-CB 3.41Å; E207-Y233 PolarHBondContact N-O 3.18Å; E207-Y233 PolarHBondContact O-N 3.12Å; E207-Y233 VanDerWaalsContact O-N 3.12Å; E207-H287 PolarHBondContact O-CE1 2.73Å
208	H	94.8	Very high	92.9	Very high	110 Å²	110	67.4 Å²	67.4	51%	0.509	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-73.5	143.9	179.3	60.5	-99.7	0	0	0	112.5	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.96Å; H208-G289 WeakPolarHBondContact CB-O 3.37Å; H208-L290 HydrophobicContact CB-CD2 3.97Å
209	P	97.5	Very high	92.8	Very high	3 Å²	3	67.4 Å²	67.4	2%	0.019	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.4	124.9	-179.5	28.3	-36.7	0	0	0	112.3	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.94Å; P209-T211 HydrophobicContact CG-CG2 4.21Å; P209-T211 PolarHBondContact O-N 2.94Å; P209-T211 VanDerWaalsContact O-N 3.09Å; P209-A229 HydrophobicContact CB-CB 3.78Å; P209-F232 HydrophobicContact CB-CB 3.95Å; P209-F232 HydrophobicContact CB-CD1 3.85Å; P209-F232 HydrophobicContact CB-CG 4.14Å; P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; P209-V285 HydrophobicContact CG-CG1 3.91Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.38Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	97.8	Very high	92.6	Very high	104 Å²	104	74.4 Å²	74.4	45%	0.452	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	93.1	173.8	-55.3	169.5	-175	82.4	0	107	E207 H208 L230 G231	E207-K210 IonicContact OE2-NZ 3.16Å; E207-K210 PolarHBondContact OE2-NZ 2.86Å; H208-K210 PolarHBondContact O-N 2.96Å; K210-L230 VanDerWaalsContact CB-O 3.27Å; K210-L230 WeakPolarHBondContact CB-O 3.49Å; K210-L230 PolarHBondContact N-O 2.98Å; K210-L230 PolarHBondContact O-N 2.98Å; K210-G231 PolarHBondContact NZ-O 2.9Å
211	T	97.8	Very high	92.7	Very high	36 Å²	36	77.1 Å²	77.1	22%	0.221	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.7	-166.5	50.9	0	0	0	0	114.5	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.94Å; P209-T211 HydrophobicContact CG-CG2 4.21Å; P209-T211 PolarHBondContact O-N 2.94Å; P209-T211 VanDerWaalsContact O-N 3.09Å; T211-W228 VanDerWaalsContact CA-O 3.22Å; T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-A229 HydrophobicContact CG2-CB 4.2Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; T211-L294 HydrophobicContact CG2-CD1 4.44Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å
212	H	97.1	Very high	93	Very high	81 Å²	81	72.9 Å²	72.9	38%	0.375	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	159.2	171.7	64.9	-72.2	0	0	0	111.9	W228	H212-W228 AromaticContact CE1-CD1 3.86Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.46Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.88Å; H212-W228 PolarHBondContact O-N 2.65Å
213	V	97.9	Very high	93.4	Very high	24 Å²	24	69.7 Å²	69.7	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.4	175.1	178.9	0	0	0	0	109.8	L225 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.47Å; V213-L225 HydrophobicContact CG1-CD2 4.46Å; V213-C227 HydrophobicContact CG2-CB 4.28Å; V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.22Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.79Å
214	T	96.4	Very high	93.9	Very high	32 Å²	32	70.6 Å²	70.6	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	148.2	174.9	55	0	0	0	0	110.5	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.98Å; T214-L225 WeakPolarHBondContact O-CA 3.09Å; T214-R226 PolarHBondContact N-O 3.32Å; T214-R226 PolarHBondContact O-N 3.06Å; T214-R226 PolarHBondContact OG1-O 3.19Å; T214-W228 PolarHBondContact OG1-NE1 2.95Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å
215	H	95.5	Very high	94.4	Very high	53 Å²	53	66.2 Å²	66.2	25%	0.245	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.8	-176.7	164.7	-80.7	0	0	0	109.6	A223 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.36Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.09Å; H215-W298 HydrophobicContact CB-CZ2 4.11Å; H215-W298 VanDerWaalsContact CB-NE1 3.3Å; H215-W298 AromaticContact CD2-CE2 3.98Å; H215-W298 AromaticContact CD2-CZ2 3.94Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact CG-NE1 3.98Å
216	H	94.1	Very high	94.9	Very high	83 Å²	83	63.6 Å²	63.6	38%	0.384	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	109.6	-177.8	-54.6	82.8	0	0	0	109.1	T214 V218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 2.98Å; H216-V218 PolarHBondContact O-N 3.36Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.46Å; H216-T224 PolarHBondContact N-O 3.16Å; H216-T224 PolarHBondContact O-N 3.46Å
217	P	93.3	Very high	95.3	Very high	103 Å²	103	62.3 Å²	62.3	67%	0.669	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	134.8	171.8	-20.6	31.4	0	0	0	110.7
218	V	91	Very high	95.5	Very high	92 Å²	92	61.5 Å²	61.5	56%	0.558	32%	0.315	S	S	*	.			trans	-108.6	-39.3	175.5	-176.7	0	0	0	0	110.1	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.36Å; V218-E222 PolarHBondContact N-O 2.97Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.44Å
219	S	91.8	Very high	95.7	Very high	51 Å²	51	56.3 Å²	56.3	36%	0.357	29%	0.29	S	S	.	.	S	Bend	trans	-145.8	-177.5	172.1	72.1	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 2.88Å; S219-H221 PolarHBondContact OG-N 3.4Å; S219-H221 VanDerWaalsContact OG-N 3.09Å; S219-E222 PolarHBondContact N-O 2.89Å; S219-E222 PolarHBondContact OG-N 2.75Å; S219-E222 VanDerWaalsContact OG-N 3.12Å
220	D	89.1	Confident	95.7	Very high	152 Å²	152	58.9 Å²	58.9	81%	0.813	30%	0.304	S	S	*	.	S	Bend	trans	-63.8	-18.5	170	-63.7	-34.8	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 2.94Å
221	H	92.3	Very high	95.7	Very high	146 Å²	146	54.5 Å²	54.5	68%	0.676	29%	0.288	S	S	*	.	S	Bend	trans	-108.3	-15.9	-173.9	-55.3	-34.1	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.88Å; S219-H221 PolarHBondContact OG-N 3.4Å; S219-H221 VanDerWaalsContact OG-N 3.09Å; H221-P274 WeakPolarHBondContact O-CA 3.35Å; H221-S275 WeakPolarHBondContact CA-OG 3.3Å; H221-S275 PolarHBondContact O-N 3.45Å; H221-S275 PolarHBondContact O-OG 2.77Å
222	E	94.9	Very high	95.6	Very high	96 Å²	96	52.8 Å²	52.8	45%	0.449	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.3	-170.8	-66.3	175.7	170.7	0	0	112.4	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.97Å; S219-E222 PolarHBondContact N-O 2.89Å; S219-E222 PolarHBondContact OG-N 2.75Å; S219-E222 VanDerWaalsContact OG-N 3.12Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.3Å; E222-S275 PolarHBondContact N-OG 2.88Å
223	A	95.4	Very high	95.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.8	171	0	0	0	0	0	111.2	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.36Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.46Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.69Å; A223-V273 PolarHBondContact O-N 3.04Å
224	T	97	Very high	95.4	Very high	24 Å²	24	49.7 Å²	49.7	15%	0.147	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.6	169.4	-51.4	0	0	0	0	110.1	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.16Å; H216-T224 PolarHBondContact O-N 3.46Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.44Å; T224-A270 HydrophobicContact CG2-CB 3.89Å; T224-V271 WeakPolarHBondContact CA-O 3.42Å
225	L	97.7	Very high	95.3	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	-86	124.2	163.7	-63.2	-174.4	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 Y281 W298	V213-L225 HydrophobicContact CG1-CB 4.47Å; V213-L225 HydrophobicContact CG1-CD2 4.46Å; T214-L225 WeakPolarHBondContact O-CA 3.09Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.7Å; L225-W241 HydrophobicContact CD1-CH2 3.92Å; L225-W241 HydrophobicContact CD1-CZ3 4.11Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 2.83Å; L225-V271 PolarHBondContact O-N 3.31Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.08Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.37Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; L225-Y281 HydrophobicContact CD1-CG 4.49Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.5Å; L225-W298 HydrophobicContact CD2-CG 4.08Å
226	R	98.1	Very high	95.3	Very high	47 Å²	47	51.9 Å²	51.9	18%	0.177	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.8	173.9	179.3	178.5	-69	105.7	5.3	110.2	T214 W228 E253 W268 A269 A270	T214-R226 PolarHBondContact N-O 3.32Å; T214-R226 PolarHBondContact O-N 3.06Å; T214-R226 PolarHBondContact OG1-O 3.19Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-E253 IonicContact NH2-OE2 2.77Å; R226-E253 PolarHBondContact NH2-OE2 3.34Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.39Å; R226-A270 HydrophobicContact CB-CB 3.86Å; R226-A270 HydrophobicContact CG-CB 4.04Å
227	C	98.2	Very high	95.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127	174.5	-173.6	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.28Å; C227-W241 HydrophobicContact CB-CH2 4.39Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; C227-W268 CarbonylContact O-C 3.44Å; C227-W268 WeakPolarHBondContact O-CA 3.45Å; C227-W268 WeakPolarHBondContact O-CB 3.42Å; C227-A269 PolarHBondContact N-O 2.63Å; C227-A269 PolarHBondContact O-N 3.27Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 VanDerWaalsContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.41Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.5Å
228	W	98.4	Very high	95.6	Very high	54 Å²	54	45.6 Å²	45.6	21%	0.205	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142.1	-179.5	-66.9	88.1	0	0	0	111	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 3.86Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.46Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.88Å; H212-W228 PolarHBondContact O-N 2.65Å; T214-W228 PolarHBondContact OG1-NE1 2.95Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CB-CG 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.48Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.37Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.68Å; W228-W268 HydrophobicContact CE3-CG 4.05Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.72Å; W228-W268 HydrophobicContact CH2-CG 4.35Å; W228-W268 AromaticContact CH2-NE1 3.99Å; W228-W268 HydrophobicContact CZ3-CB 4.37Å; W228-W268 AromaticContact CZ3-CD1 3.31Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å; W228-W268 AromaticContact CZ3-NE1 3.97Å
229	A	98.4	Very high	95.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.9	159.2	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.78Å; T211-A229 HydrophobicContact CG2-CB 4.2Å; A229-F232 HydrophobicContact CB-CD1 4.03Å; A229-F232 HydrophobicContact CB-CE1 3.7Å; A229-F232 WeakPolarHBondContact O-CE1 3.34Å; A229-I237 HydrophobicContact CB-CD1 3.79Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.25Å; A229-Q266 WeakPolarHBondContact O-CA 3.45Å; A229-K267 PolarHBondContact N-O 2.8Å; A229-K267 PolarHBondContact O-N 2.9Å
230	L	98.1	Very high	96.1	Very high	57 Å²	57	40.8 Å²	40.8	30%	0.298	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.9	-176.3	-60.7	176.3	0	0	0	110.4	K210 W228 Q266	K210-L230 VanDerWaalsContact CB-O 3.27Å; K210-L230 WeakPolarHBondContact CB-O 3.49Å; K210-L230 PolarHBondContact N-O 2.98Å; K210-L230 PolarHBondContact O-N 2.98Å; W228-L230 HydrophobicContact CB-CG 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.48Å; L230-Q266 HydrophobicContact CD2-CB 3.63Å
231	G	97.1	Very high	96.6	Very high	13 Å²	13	33.6 Å²	33.6	13%	0.134	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.7	57.1	170.9	0	0	0	0	0	112.3	K210 T264 F265	K210-G231 PolarHBondContact NZ-O 2.9Å; G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; G231-F265 PolarHBondContact N-O 2.66Å
232	F	96.6	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.1	175.7	58	-91.9	0	0	0	112	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.16Å; E207-F232 VanDerWaalsContact O-CB 3.25Å; E207-F232 WeakPolarHBondContact O-CB 3.41Å; P209-F232 HydrophobicContact CB-CB 3.95Å; P209-F232 HydrophobicContact CB-CD1 3.85Å; P209-F232 HydrophobicContact CB-CG 4.14Å; A229-F232 HydrophobicContact CB-CD1 4.03Å; A229-F232 HydrophobicContact CB-CE1 3.7Å; A229-F232 WeakPolarHBondContact O-CE1 3.34Å; F232-P234 WeakPolarHBondContact CD2-O 3.48Å; F232-I237 HydrophobicContact CD1-CD1 3.96Å; F232-I237 HydrophobicContact CD2-CB 4.45Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE2-CB 3.88Å; F232-I237 HydrophobicContact CE2-CD1 3.82Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.63Å; F232-I237 HydrophobicContact CG-CD1 4.04Å; F232-I237 HydrophobicContact CZ-CB 4.27Å; F232-I237 HydrophobicContact CZ-CD1 3.77Å; F232-I237 HydrophobicContact CZ-CG2 3.63Å; F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; F232-T264 CarbonylContact O-C 3.48Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.91Å; F232-F265 HydrophobicContact CE1-CB 4.41Å; F232-F265 WeakPolarHBondContact CE1-O 3.27Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CZ-CB 3.75Å; F232-F265 PolarHBondContact N-O 3Å; F232-F265 PolarHBondContact O-N 2.99Å; F232-K267 HydrophobicContact CE1-CB 4.48Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.98Å; F232-H287 AromaticContact CD2-NE2 3.75Å
233	Y	94.6	Very high	96.8	Very high	20 Å²	20	27.6 Å²	27.6	8%	0.078	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-152.8	137.8	174.7	177.2	-82.9	0	0	0	108.3	D54 T55 H205 A206 E207 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.96Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.13Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å; H205-Y233 WeakPolarHBondContact O-CD1 3.44Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.4Å; E207-Y233 PolarHBondContact N-O 3.18Å; E207-Y233 PolarHBondContact O-N 3.12Å; E207-Y233 VanDerWaalsContact O-N 3.12Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; Y233-H287 PolarHBondContact O-CE1 3Å
234	P	94.4	Very high	96.7	Very high	19 Å²	19	32.5 Å²	32.5	12%	0.123	16%	0.164	C	C	.	.	S	Bend	cis	-68.8	177.3	-0.4	29.7	-36.8	0	0	0	113.2	D54 F232 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.34Å; F232-P234 WeakPolarHBondContact CD2-O 3.48Å; P234-H287 PolarHBondContact O-NE2 3.3Å
235	A	95.8	Very high	96.3	Very high	13 Å²	13	33.5 Å²	33.5	11%	0.107	18%	0.179	C	C	.	.	S	Bend	trans	-74.9	-25.8	-174.2	0	0	0	0	0	114.3	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 VanDerWaalsContact CG-CB 3.43Å; D54-A235 WeakPolarHBondContact OD1-CB 3.27Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 3.35Å; A235-I237 PolarHBondContact O-N 2.8Å; A235-T257 HydrophobicContact CB-CG2 4.38Å; A235-T257 WeakPolarHBondContact O-CG2 3.28Å; A235-F265 HydrophobicContact CB-CB 4.45Å; A235-F265 HydrophobicContact CB-CD1 3.61Å; A235-F265 HydrophobicContact CB-CD2 3.64Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.6Å; A235-F265 HydrophobicContact CB-CZ 3.74Å
236	E	95.1	Very high	96.1	Very high	119 Å²	119	39.9 Å²	39.9	56%	0.556	21%	0.208	S	C	*	.			trans	-65.9	125.8	178.8	-167.4	52.5	-124.3	0	0	109.7	W23 H287	W23-E236 HydrophobicContact CH2-CB 4.26Å; W23-E236 HydrophobicContact CH2-CG 3.58Å; W23-E236 HydrophobicContact CZ2-CG 3.99Å; W23-E236 HydrophobicContact CZ3-CB 4.07Å; W23-E236 HydrophobicContact CZ3-CG 3.87Å; W23-E236 WeakPolarHBondContact CZ3-O 3.38Å; E236-H287 PolarHBondContact O-CD2 3Å; E236-H287 VanDerWaalsContact O-CD2 3.31Å
237	I	96.1	Very high	95.9	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	22%	0.224	C	C	.	.			trans	-161.7	134.9	-172.8	-166	172.5	0	0	0	110.7	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; A229-I237 HydrophobicContact CB-CD1 3.79Å; F232-I237 HydrophobicContact CD1-CD1 3.96Å; F232-I237 HydrophobicContact CD2-CB 4.45Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE2-CB 3.88Å; F232-I237 HydrophobicContact CE2-CD1 3.82Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.63Å; F232-I237 HydrophobicContact CG-CD1 4.04Å; F232-I237 HydrophobicContact CZ-CB 4.27Å; F232-I237 HydrophobicContact CZ-CD1 3.77Å; F232-I237 HydrophobicContact CZ-CG2 3.63Å; A235-I237 PolarHBondContact O-N 2.8Å; I237-L239 HydrophobicContact CD1-CD1 3.76Å; I237-L239 HydrophobicContact CG1-CD1 3.74Å; I237-L239 HydrophobicContact CG2-CD1 4.26Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.52Å; I237-V285 HydrophobicContact CD1-CG1 4.09Å; I237-V285 HydrophobicContact CG1-CG1 4.4Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; I237-H287 HydrophobicContact CD1-CB 4.22Å; I237-H287 HydrophobicContact CG1-CB 4.04Å
238	T	96.9	Very high	95.6	Very high	48 Å²	48	43.8 Å²	43.8	29%	0.294	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	175.3	-62.7	0	0	0	0	110.7	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; T238-Q286 PolarHBondContact N-O 3.07Å; T238-Q286 PolarHBondContact O-N 2.83Å
239	L	97.6	Very high	95.1	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.9	169.6	-89.2	62.4	0	0	0	108.2	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.25Å; I237-L239 HydrophobicContact CD1-CD1 3.76Å; I237-L239 HydrophobicContact CG1-CD1 3.74Å; I237-L239 HydrophobicContact CG2-CD1 4.26Å; L239-L254 HydrophobicContact CB-CD1 4.09Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.19Å; L239-V285 HydrophobicContact CD1-CG1 3.97Å; L239-V285 HydrophobicContact CD1-CG2 4.36Å; L239-V285 HydrophobicContact CG-CG2 4.22Å
240	T	97.1	Very high	94.6	Very high	37 Å²	37	55.3 Å²	55.3	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.2	173.7	55.6	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.21Å; T240-H284 PolarHBondContact N-O 2.84Å; T240-H284 PolarHBondContact O-N 3.23Å
241	W	97.9	Very high	94	Very high	2 Å²	2	58 Å²	58	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.9	166.9	-82.2	107.7	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.22Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.7Å; L225-W241 HydrophobicContact CD1-CH2 3.92Å; L225-W241 HydrophobicContact CD1-CZ3 4.11Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; C227-W241 HydrophobicContact CB-CH2 4.39Å; C227-W241 HydrophobicContact CB-CZ2 3.6Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.32Å; W241-A269 PolarHBondContact NE1-O 2.77Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4.1Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.7Å; W241-V271 HydrophobicContact CZ2-CG1 4.29Å; W241-T282 CarbonylContact C-O 3.59Å; W241-T282 WeakPolarHBondContact CA-O 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.04Å; W241-C283 HydrophobicContact CE3-CB 3.93Å; W241-C283 HydrophobicContact CH2-CB 3.93Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.87Å
242	Q	97.1	Very high	93.9	Very high	40 Å²	40	58.5 Å²	58.5	19%	0.187	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149	171.8	-71.8	-175.5	-6.5	0	0	110.6	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.21Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.36Å; Q242-D247 PolarHBondContact NE2-OD1 3.11Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.4Å; Q242-T282 PolarHBondContact N-O 3.11Å; Q242-T282 PolarHBondContact O-N 3.01Å; Q242-H284 PolarHBondContact OE1-NE2 2.03Å
243	W	95.2	Very high	93.9	Very high	75 Å²	75	63.7 Å²	63.7	28%	0.284	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.9	170.9	175	82.9	0	0	0	108	G245 E246 Q248 E277 R280 Y281	W243-G245 PolarHBondContact O-N 3.5Å; W243-E246 PolarHBondContact N-O 3.05Å; W243-E246 PolarHBondContact O-N 2.89Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; W243-E277 PolarHBondContact NE1-OE2 3.4Å; W243-R280 VanDerWaalsContact CE2-CZ 3.41Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.41Å; W243-Y281 HydrophobicContact CB-CD1 4.12Å; W243-Y281 HydrophobicContact CB-CE1 3.91Å; W243-Y281 AromaticContact CD1-CD2 3.97Å; W243-Y281 AromaticContact CD1-CE1 3.82Å; W243-Y281 AromaticContact CD1-CE2 3.47Å; W243-Y281 VanDerWaalsContact CD1-CE2 3.47Å; W243-Y281 AromaticContact CD1-CZ 3.4Å; W243-Y281 HydrophobicContact CG-CE1 4.18Å
244	D	92.6	Very high	94	Very high	104 Å²	104	67.1 Å²	67.1	56%	0.556	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	18.4	-171.2	-69.1	-22.3	0	0	0	116	R280	D244-R280 PolarHBondContact N-O 3.32Å; D244-R280 VanDerWaalsContact N-O 3.08Å; D244-R280 IonicContact OD1-NE 3.8Å; D244-R280 IonicContact OD2-CZ 3.98Å; D244-R280 IonicContact OD2-NE 3.79Å; D244-R280 PolarHBondContact OD2-NE 3.37Å; D244-R280 IonicContact OD2-NH2 3.55Å; D244-R280 PolarHBondContact OD2-NH2 2.96Å
245	G	88.9	Confident	94.1	Very high	45 Å²	45	67.8 Å²	67.8	46%	0.464	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.1	-3.5	179.9	0	0	0	0	0	115.6	W243	W243-G245 PolarHBondContact O-N 3.5Å
246	E	93.4	Very high	94.1	Very high	134 Å²	134	75.5 Å²	75.5	63%	0.626	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.9	177.2	-61.6	-170.1	160.9	0	0	111.6	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.21Å; W243-E246 PolarHBondContact N-O 3.05Å; W243-E246 PolarHBondContact O-N 2.89Å; E246-Q248 PolarHBondContact O-N 3.2Å; E246-Q248 PolarHBondContact O-NE2 3.23Å
247	D	93.5	Very high	94.2	Very high	96 Å²	96	72 Å²	72	51%	0.513	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.2	-176.8	-68.3	-43.1	0	0	0	113	Q242 T249	Q242-D247 WeakPolarHBondContact CG-OD1 3.36Å; Q242-D247 PolarHBondContact NE2-OD1 3.11Å; D247-T249 VanDerWaalsContact C-N 3.34Å; D247-T249 PolarHBondContact O-N 3.04Å
248	Q	93.3	Very high	94.3	Very high	33 Å²	33	76.8 Å²	76.8	15%	0.154	40%	0.396	C	S	.	.			trans	-95.3	39.8	-174.4	-56.1	-61.9	-75.9	0	0	112.4	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.32Å; W243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-N 3.2Å; E246-Q248 PolarHBondContact O-NE2 3.23Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.09Å; Q248-D251 PolarHBondContact O-N 2.76Å; Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 2.82Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 2.97Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å
249	T	87.3	Confident	94.3	Very high	105 Å²	105	78.7 Å²	78.7	64%	0.644	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.5	-165.1	-48.7	0	0	0	0	114.6	D247	D247-T249 VanDerWaalsContact C-N 3.34Å; D247-T249 PolarHBondContact O-N 3.04Å
250	Q	88	Confident	94.2	Very high	192 Å²	192	80.9 Å²	80.9	90%	0.897	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-33.8	179.2	-62.6	-172.5	22.6	0	0	112.4	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.09Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	86.2	Confident	94	Very high	113 Å²	113	82.8 Å²	82.8	60%	0.604	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	4	-177.4	-50.1	-83.5	0	0	0	112.7	Q248	Q248-D251 PolarHBondContact O-N 2.76Å
252	T	94.2	Very high	93.7	Very high	23 Å²	23	88.3 Å²	88.3	14%	0.141	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.5	178	-64.5	0	0	0	0	111.9	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 2.82Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 2.97Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.29Å; T252-L254 PolarHBondContact O-N 2.94Å; T252-L254 VanDerWaalsContact O-N 3.13Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.13Å
253	E	96.3	Very high	93.3	Very high	110 Å²	110	89 Å²	89	51%	0.514	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	96.9	162.8	-176.1	-171.8	-153.3	0	0	109.2	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 2.77Å; R226-E253 PolarHBondContact NH2-OE2 3.34Å; E253-W268 HydrophobicContact CB-CZ3 4.31Å; E253-W268 HydrophobicContact CG-CH2 3.95Å; E253-W268 HydrophobicContact CG-CZ3 3.76Å; E253-W268 WeakPolarHBondContact OE2-CH2 2.97Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.01Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.31Å; E253-A270 HydrophobicContact CB-CB 4.31Å; E253-A270 PolarHBondContact N-O 3.34Å; E253-A270 PolarHBondContact O-N 3.48Å
254	L	96.5	Very high	93.3	Very high	91 Å²	91	85.9 Å²	85.9	48%	0.476	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.1	176.5	-175.2	69.3	0	0	0	110.4	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.09Å; T252-L254 HydrophobicContact CG2-CB 4.29Å; T252-L254 PolarHBondContact O-N 2.94Å; T252-L254 VanDerWaalsContact O-N 3.13Å; L254-A269 HydrophobicContact CD1-CB 3.76Å
255	V	96.5	Very high	93.6	Very high	34 Å²	34	82.2 Å²	82.2	21%	0.206	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-85.7	153.8	175.3	-63.6	0	0	0	0	112.8	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.21Å; V255-K267 WeakPolarHBondContact O-CG 3.46Å; V255-K267 PolarHBondContact O-NZ 2.99Å; V255-W268 HydrophobicContact CG1-CD2 4.05Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.75Å; V255-W268 HydrophobicContact CG1-CZ2 3.43Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.43Å; V255-W268 HydrophobicContact CG1-CZ3 4.16Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.83Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.06Å
256	E	96.4	Very high	94	Very high	174 Å²	174	82 Å²	82	81%	0.813	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-53.7	147.6	164.9	-66.2	-177.1	164.9	0	0	110.9	R258	E256-R258 PolarHBondContact O-N 2.88Å
257	T	97.6	Very high	94.3	Very high	46 Å²	46	76.7 Å²	76.7	28%	0.282	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-71.3	131.1	173.6	-53.2	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; A235-T257 HydrophobicContact CB-CG2 4.38Å; A235-T257 WeakPolarHBondContact O-CG2 3.28Å; T257-F265 HydrophobicContact CG2-CB 3.85Å; T257-F265 HydrophobicContact CG2-CD1 4.06Å; T257-F265 HydrophobicContact CG2-CG 4.28Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å
258	R	97.1	Very high	94.5	Very high	106 Å²	106	73.4 Å²	73.4	40%	0.4	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.4	-176.5	70.1	-165.1	-175.7	-174.6	3.8	110.7	E256 Q266	E256-R258 PolarHBondContact O-N 2.88Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.81Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.47Å; R258-Q266 PolarHBondContact O-N 3.27Å
259	P	96.8	Very high	94.7	Very high	88 Å²	88	71.8 Å²	71.8	57%	0.571	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	153.3	175.5	27.7	-34.7	0	0	0	111.4	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.37Å; P259-F265 HydrophobicContact CB-CE1 4.13Å; P259-Q266 PolarHBondContact O-NE2 3.01Å; P259-Q266 VanDerWaalsContact O-NE2 3.11Å
260	A	96.1	Very high	95.2	Very high	50 Å²	50	66.9 Å²	66.9	41%	0.413	38%	0.376	S	S	.	.			trans	-89.1	-26.1	167.8	0	0	0	0	0	112.2	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3Å; A260-T264 WeakPolarHBondContact CB-O 3.31Å; A260-T264 PolarHBondContact N-O 3.32Å; A260-Q266 HydrophobicContact CB-CG 4.45Å
261	G	92.2	Very high	95.7	Very high	77 Å²	77	57.9 Å²	57.9	79%	0.794	33%	0.334	S	S	*	.	S	Bend	trans	103.2	0.1	178.1	0	0	0	0	0	114.8
262	D	91.5	Very high	96.2	Very high	118 Å²	118	56.1 Å²	56.1	63%	0.631	33%	0.327	S	S	*	.	S	Bend	trans	-109.7	12.4	177.6	55.5	9.9	0	0	0	112.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3Å; D262-T264 WeakPolarHBondContact OD1-CB 3.37Å; D262-T264 PolarHBondContact OD1-N 3.23Å; D262-T264 PolarHBondContact OD1-OG1 3.45Å
263	G	90	Very high	96.2	Very high	54 Å²	54	55.1 Å²	55.1	56%	0.557	32%	0.321	S	S	*	.	S	Bend	trans	95.8	-19.5	-170.6	0	0	0	0	0	113.7
264	T	95.6	Very high	96.2	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.067	31%	0.312	C	S	.	.			trans	-94.2	169.6	-178.6	77.2	0	0	0	0	113.4	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; F232-T264 CarbonylContact O-C 3.48Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; A260-T264 WeakPolarHBondContact CB-O 3.31Å; A260-T264 PolarHBondContact N-O 3.32Å; D262-T264 WeakPolarHBondContact OD1-CB 3.37Å; D262-T264 PolarHBondContact OD1-N 3.23Å; D262-T264 PolarHBondContact OD1-OG1 3.45Å
265	F	97.8	Very high	95.9	Very high	26 Å²	26	50.9 Å²	50.9	11%	0.114	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	164.2	-177.5	-65.8	-86.1	0	0	0	113	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.8Å; G231-F265 PolarHBondContact N-O 2.66Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.91Å; F232-F265 HydrophobicContact CE1-CB 4.41Å; F232-F265 WeakPolarHBondContact CE1-O 3.27Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CZ-CB 3.75Å; F232-F265 PolarHBondContact N-O 3Å; F232-F265 PolarHBondContact O-N 2.99Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; A235-F265 HydrophobicContact CB-CB 4.45Å; A235-F265 HydrophobicContact CB-CD1 3.61Å; A235-F265 HydrophobicContact CB-CD2 3.64Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.6Å; A235-F265 HydrophobicContact CB-CZ 3.74Å; T257-F265 HydrophobicContact CG2-CB 3.85Å; T257-F265 HydrophobicContact CG2-CD1 4.06Å; T257-F265 HydrophobicContact CG2-CG 4.28Å; P259-F265 HydrophobicContact CB-CD1 4.37Å; P259-F265 HydrophobicContact CB-CE1 4.13Å
266	Q	98.1	Very high	95.6	Very high	41 Å²	41	52.2 Å²	52.2	19%	0.192	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	142.4	178.9	38.9	162.1	-25.7	0	0	110.3	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.45Å; L230-Q266 HydrophobicContact CD2-CB 3.63Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.81Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.47Å; R258-Q266 PolarHBondContact O-N 3.27Å; P259-Q266 PolarHBondContact O-NE2 3.01Å; P259-Q266 VanDerWaalsContact O-NE2 3.11Å; A260-Q266 HydrophobicContact CB-CG 4.45Å
267	K	98.5	Very high	95.5	Very high	23 Å²	23	46.8 Å²	46.8	10%	0.1	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.4	178.1	-160.5	-176.3	-168.8	65.8	0	109.5	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 2.8Å; A229-K267 PolarHBondContact O-N 2.9Å; F232-K267 HydrophobicContact CE1-CB 4.48Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.52Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.21Å; V255-K267 WeakPolarHBondContact O-CG 3.46Å; V255-K267 PolarHBondContact O-NZ 2.99Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å
268	W	98.2	Very high	95.3	Very high	26 Å²	26	45.7 Å²	45.7	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.2	168.9	56.7	-96.4	0	0	0	111.9	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.44Å; C227-W268 WeakPolarHBondContact O-CA 3.45Å; C227-W268 WeakPolarHBondContact O-CB 3.42Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.37Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.68Å; W228-W268 HydrophobicContact CE3-CG 4.05Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.72Å; W228-W268 HydrophobicContact CH2-CG 4.35Å; W228-W268 AromaticContact CH2-NE1 3.99Å; W228-W268 HydrophobicContact CZ3-CB 4.37Å; W228-W268 AromaticContact CZ3-CD1 3.31Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å; W228-W268 AromaticContact CZ3-NE1 3.97Å; E253-W268 HydrophobicContact CB-CZ3 4.31Å; E253-W268 HydrophobicContact CG-CH2 3.95Å; E253-W268 HydrophobicContact CG-CZ3 3.76Å; E253-W268 WeakPolarHBondContact OE2-CH2 2.97Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.01Å; V255-W268 HydrophobicContact CG1-CD2 4.05Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.75Å; V255-W268 HydrophobicContact CG1-CZ2 3.43Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.43Å; V255-W268 HydrophobicContact CG1-CZ3 4.16Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.83Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.06Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
269	A	98.2	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.2	173.6	0	0	0	0	0	108.3	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.39Å; C227-A269 PolarHBondContact N-O 2.63Å; C227-A269 PolarHBondContact O-N 3.27Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 2.77Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.31Å; L254-A269 HydrophobicContact CD1-CB 3.76Å
270	A	97.7	Very high	95.1	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.1	177.6	0	0	0	0	0	112.1	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.89Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; R226-A270 HydrophobicContact CB-CB 3.86Å; R226-A270 HydrophobicContact CG-CB 4.04Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.13Å; E253-A270 HydrophobicContact CB-CB 4.31Å; E253-A270 PolarHBondContact N-O 3.34Å; E253-A270 PolarHBondContact O-N 3.48Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
271	V	97.4	Very high	95.1	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.6	177.1	62.2	0	0	0	0	108.8	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.42Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 2.83Å; L225-V271 PolarHBondContact O-N 3.31Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4.1Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.7Å; W241-V271 HydrophobicContact CZ2-CG1 4.29Å; V271-V273 HydrophobicContact CG1-CG1 3.84Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V271-Y281 HydrophobicContact CG1-CD1 4.19Å; V271-Y281 HydrophobicContact CG2-CE1 4.19Å
272	V	96.7	Very high	95.4	Very high	77 Å²	77	39.5 Å²	39.5	47%	0.467	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130.3	171.9	-177.4	0	0	0	0	108.1	E222	E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	95.7	Very high	95.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147	-174.5	-50.5	0	0	0	0	110.8	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.3Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.69Å; A223-V273 PolarHBondContact O-N 3.04Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.08Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.84Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; V273-Y281 HydrophobicContact CB-CD2 3.88Å; V273-Y281 HydrophobicContact CB-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CD1 3.84Å; V273-Y281 HydrophobicContact CG1-CD2 3.52Å; V273-Y281 HydrophobicContact CG1-CE1 3.77Å; V273-Y281 HydrophobicContact CG1-CE2 3.46Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.46Å; V273-Y281 HydrophobicContact CG1-CG 3.71Å
274	P	95.4	Very high	96.1	Very high	53 Å²	53	32.9 Å²	32.9	34%	0.344	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	140.1	171	-20.5	32.5	0	0	0	112.1	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.35Å; P274-G276 PolarHBondContact O-N 2.73Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.19Å; P274-E277 PolarHBondContact O-N 2.77Å
275	S	91.4	Very high	96.2	Very high	59 Å²	59	32.4 Å²	32.4	41%	0.413	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	121.8	173.6	-65.9	0	0	0	0	111.3	D220 H221 E222	D220-S275 PolarHBondContact O-OG 2.94Å; H221-S275 WeakPolarHBondContact CA-OG 3.3Å; H221-S275 PolarHBondContact O-N 3.45Å; H221-S275 PolarHBondContact O-OG 2.77Å; E222-S275 PolarHBondContact N-OG 2.88Å
276	G	90.2	Very high	96.1	Very high	62 Å²	62	34.6 Å²	34.6	64%	0.639	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	92	-7.4	-178	0	0	0	0	0	115.6	P274 E278	P274-G276 PolarHBondContact O-N 2.73Å; G276-E278 VanDerWaalsContact C-OE2 3.24Å; G276-E278 WeakPolarHBondContact CA-OE2 3.29Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 2.7Å
277	E	93.8	Very high	96	Very high	61 Å²	61	33.2 Å²	33.2	29%	0.285	18%	0.184	S	C	.	.			trans	-95.4	1.1	175	-70.5	-154.3	-153.8	0	0	113.9	W243 P274 Q279 R280 Y281	W243-E277 PolarHBondContact NE1-OE2 3.4Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.19Å; P274-E277 PolarHBondContact O-N 2.77Å; E277-Q279 PolarHBondContact O-N 3.25Å; E277-R280 WeakPolarHBondContact O-CB 3.32Å; E277-R280 PolarHBondContact O-N 3.09Å; E277-R280 IonicContact OE1-NH1 3.75Å; E277-R280 WeakPolarHBondContact OE2-CD 3.23Å; E277-R280 IonicContact OE2-CZ 2.78Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 2.98Å; E277-Y281 HydrophobicContact CB-CE2 4.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.46Å
278	E	93.8	Very high	95.6	Very high	22 Å²	22	35.8 Å²	35.8	10%	0.103	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.2	-169	-48.2	84.6	177.9	0	0	113.8	L225 V273 G276 W298	L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.37Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; G276-E278 VanDerWaalsContact C-OE2 3.24Å; G276-E278 WeakPolarHBondContact CA-OE2 3.29Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 2.7Å; E278-W298 HydrophobicContact CB-CD2 4.49Å; E278-W298 HydrophobicContact CB-CE3 3.49Å; E278-W298 VanDerWaalsContact CB-CE3 3.49Å; E278-W298 HydrophobicContact CB-CZ3 3.88Å; E278-W298 HydrophobicContact CG-CE3 3.85Å; E278-W298 HydrophobicContact CG-CZ3 3.83Å
279	Q	93.9	Very high	95.3	Very high	86 Å²	86	35.5 Å²	35.5	40%	0.402	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.2	178.6	-61.8	-57.2	-53.9	0	0	114.2	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.25Å; Q279-R297 PolarHBondContact O-NE 3.01Å; Q279-W298 PolarHBondContact NE2-O 3.49Å
280	R	95.5	Very high	95	Very high	79 Å²	79	36.8 Å²	36.8	30%	0.298	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-24	171.8	-59.4	178.4	72.5	-167.3	-2.9	111.8	W243 D244 E277	W243-R280 VanDerWaalsContact CE2-CZ 3.41Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.41Å; D244-R280 PolarHBondContact N-O 3.32Å; D244-R280 VanDerWaalsContact N-O 3.08Å; D244-R280 IonicContact OD1-NE 3.8Å; D244-R280 IonicContact OD2-CZ 3.98Å; D244-R280 IonicContact OD2-NE 3.79Å; D244-R280 PolarHBondContact OD2-NE 3.37Å; D244-R280 IonicContact OD2-NH2 3.55Å; D244-R280 PolarHBondContact OD2-NH2 2.96Å; E277-R280 WeakPolarHBondContact O-CB 3.32Å; E277-R280 PolarHBondContact O-N 3.09Å; E277-R280 IonicContact OE1-NH1 3.75Å; E277-R280 WeakPolarHBondContact OE2-CD 3.23Å; E277-R280 IonicContact OE2-CZ 2.78Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 2.98Å
281	Y	96.7	Very high	94.7	Very high	17 Å²	17	43 Å²	43	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.7	-179.7	-69.1	-92	0	0	0	111.9	L225 Q242 W243 Q248 V271 V273 E277	L225-Y281 HydrophobicContact CD1-CG 4.49Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.4Å; W243-Y281 HydrophobicContact CB-CD1 4.12Å; W243-Y281 HydrophobicContact CB-CE1 3.91Å; W243-Y281 AromaticContact CD1-CD2 3.97Å; W243-Y281 AromaticContact CD1-CE1 3.82Å; W243-Y281 AromaticContact CD1-CE2 3.47Å; W243-Y281 VanDerWaalsContact CD1-CE2 3.47Å; W243-Y281 AromaticContact CD1-CZ 3.4Å; W243-Y281 HydrophobicContact CG-CE1 4.18Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å; V271-Y281 HydrophobicContact CG1-CD1 4.19Å; V271-Y281 HydrophobicContact CG2-CE1 4.19Å; V273-Y281 HydrophobicContact CB-CD2 3.88Å; V273-Y281 HydrophobicContact CB-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CD1 3.84Å; V273-Y281 HydrophobicContact CG1-CD2 3.52Å; V273-Y281 HydrophobicContact CG1-CE1 3.77Å; V273-Y281 HydrophobicContact CG1-CE2 3.46Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.46Å; V273-Y281 HydrophobicContact CG1-CG 3.71Å; E277-Y281 HydrophobicContact CB-CE2 4.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.46Å
282	T	97.6	Very high	94.5	Very high	10 Å²	10	50.4 Å²	50.4	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.8	173	42.5	0	0	0	0	111.1	W241 Q242 H284 T295 L296 R297	W241-T282 CarbonylContact C-O 3.59Å; W241-T282 WeakPolarHBondContact CA-O 3.43Å; Q242-T282 PolarHBondContact N-O 3.11Å; Q242-T282 PolarHBondContact O-N 3.01Å; T282-H284 WeakPolarHBondContact CB-NE2 3.22Å; T282-H284 PolarHBondContact OG1-NE2 3.34Å; T282-T295 HydrophobicContact CG2-CG2 3.79Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; T282-R297 HydrophobicContact CG2-CG 3.64Å
283	C	97.9	Very high	94.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.4	166.5	172.2	0	0	0	0	109	C227 T240 W241 L296	C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 VanDerWaalsContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.41Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.5Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.21Å; W241-C283 HydrophobicContact CD2-CB 4.04Å; W241-C283 HydrophobicContact CE3-CB 3.93Å; W241-C283 HydrophobicContact CH2-CB 3.93Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.87Å; C283-L296 HydrophobicContact CB-CB 4.23Å; C283-L296 PolarHBondContact N-O 3Å; C283-L296 PolarHBondContact O-N 3.48Å
284	H	97.5	Very high	94.4	Very high	33 Å²	33	53 Å²	53	15%	0.153	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.9	175.3	-63.1	-97.9	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.19Å; T240-H284 PolarHBondContact N-O 2.84Å; T240-H284 PolarHBondContact O-N 3.23Å; Q242-H284 PolarHBondContact OE1-NE2 2.03Å; T282-H284 WeakPolarHBondContact CB-NE2 3.22Å; T282-H284 PolarHBondContact OG1-NE2 3.34Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 WeakPolarHBondContact CA-O 3.4Å; H284-T295 VanDerWaalsContact CE1-CG2 3.41Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.21Å; H284-T295 PolarHBondContact CE1-OG1 3.27Å; H284-T295 PolarHBondContact ND1-OG1 2.9Å; H284-T295 VanDerWaalsContact ND1-OG1 3.15Å
285	V	97.8	Very high	94.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.5	-178.7	-175.4	0	0	0	0	109.6	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.91Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; I237-V285 HydrophobicContact CD1-CG1 4.09Å; I237-V285 HydrophobicContact CG1-CG1 4.4Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; L239-V285 HydrophobicContact CD1-CG1 3.97Å; L239-V285 HydrophobicContact CD1-CG2 4.36Å; L239-V285 HydrophobicContact CG-CG2 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; V285-P293 WeakPolarHBondContact O-CA 3.44Å; V285-L294 HydrophobicContact CB-CB 4.38Å; V285-L294 PolarHBondContact N-O 3.49Å; V285-L294 PolarHBondContact O-N 3.21Å; V285-L296 HydrophobicContact CG2-CD1 3.9Å
286	Q	96.7	Very high	94.7	Very high	73 Å²	73	53.3 Å²	53.3	34%	0.341	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	175.1	-51	179	16.5	0	0	109.2	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; T238-Q286 PolarHBondContact N-O 3.07Å; T238-Q286 PolarHBondContact O-N 2.83Å; Q286-P293 HydrophobicContact CG-CB 4.06Å; Q286-P293 HydrophobicContact CG-CG 4.15Å
287	H	95.1	Very high	95	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.056	29%	0.288	C	S	.	.			trans	-159.2	148.5	-175.8	-175.3	-103.9	0	0	0	109.1	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 2.73Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.98Å; F232-H287 AromaticContact CD2-NE2 3.75Å; Y233-H287 PolarHBondContact O-CE1 3Å; P234-H287 PolarHBondContact O-NE2 3.3Å; E236-H287 PolarHBondContact O-CD2 3Å; E236-H287 VanDerWaalsContact O-CD2 3.31Å; I237-H287 HydrophobicContact CD1-CB 4.22Å; I237-H287 HydrophobicContact CG1-CB 4.04Å; H287-G289 VanDerWaalsContact C-N 3.26Å; H287-G289 PolarHBondContact ND1-N 3.22Å; H287-G289 PolarHBondContact O-N 3.14Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.37Å
288	E	91.1	Very high	95	Very high	77 Å²	77	55.9 Å²	55.9	36%	0.36	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.5	-178.3	-171.6	-179.9	-179.9	0	0	113.2	W23 A24 L290	W23-E288 HydrophobicContact CE3-CB 4.36Å; A24-E288 WeakPolarHBondContact CA-OE1 3.5Å; E288-L290 PolarHBondContact O-N 2.69Å
289	G	90.8	Very high	94.8	Very high	20 Å²	20	63.2 Å²	63.2	21%	0.206	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.2	176.4	0	0	0	0	0	114.7	H208 H287	H208-G289 WeakPolarHBondContact CB-O 3.37Å; H287-G289 VanDerWaalsContact C-N 3.26Å; H287-G289 PolarHBondContact ND1-N 3.22Å; H287-G289 PolarHBondContact O-N 3.14Å
290	L	93.3	Very high	94.1	Very high	26 Å²	26	63 Å²	63	14%	0.136	32%	0.32	C	S	.	.			trans	-105.1	124.9	178.7	-63.9	172.9	0	0	0	110.9	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 3.97Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.38Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.37Å; E288-L290 PolarHBondContact O-N 2.69Å; L290-E292 VanDerWaalsContact C-N 3.26Å; L290-E292 PolarHBondContact O-N 3.15Å; L290-L294 HydrophobicContact CD1-CD1 4.06Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.9Å
291	P	91.1	Very high	92.6	Very high	134 Å²	134	64 Å²	64	87%	0.87	34%	0.34	S	S	*	.	S	Bend	trans	-70	-24.6	177.1	29.5	-35.4	0	0	0	112.9
292	E	92.1	Very high	90.4	Very high	156 Å²	156	68.7 Å²	68.7	73%	0.729	38%	0.375	S	S	*	.	S	Bend	trans	-142.9	146.3	172.2	-66.6	-175.3	175.1	0	0	109.1	L290 L294	L290-E292 VanDerWaalsContact C-N 3.26Å; L290-E292 PolarHBondContact O-N 3.15Å; E292-L294 PolarHBondContact O-N 2.81Å
293	P	94.8	Very high	87.9	Confident	73 Å²	73	75.9 Å²	75.9	47%	0.474	41%	0.407	S	S	.	.			trans	-55.2	131.9	175.5	-29.4	37.5	0	0	0	113.8	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.44Å; Q286-P293 HydrophobicContact CG-CB 4.06Å; Q286-P293 HydrophobicContact CG-CG 4.15Å
294	L	96.1	Very high	85.4	Confident	61 Å²	61	80.8 Å²	80.8	32%	0.319	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.4	177.3	-66.1	178	0	0	0	110.7	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.44Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 WeakPolarHBondContact CA-O 3.4Å; V285-L294 HydrophobicContact CB-CB 4.38Å; V285-L294 PolarHBondContact N-O 3.49Å; V285-L294 PolarHBondContact O-N 3.21Å; L290-L294 HydrophobicContact CD1-CD1 4.06Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.9Å; E292-L294 PolarHBondContact O-N 2.81Å
295	T	97.1	Very high	83.2	Confident	84 Å²	84	85.8 Å²	85.8	52%	0.515	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.1	169.9	-55.6	0	0	0	0	109.8	T282 H284	T282-T295 HydrophobicContact CG2-CG2 3.79Å; H284-T295 VanDerWaalsContact CE1-CG2 3.41Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.21Å; H284-T295 PolarHBondContact CE1-OG1 3.27Å; H284-T295 PolarHBondContact ND1-OG1 2.9Å; H284-T295 VanDerWaalsContact ND1-OG1 3.15Å
296	L	96.5	Very high	81.1	Confident	34 Å²	34	90.6 Å²	90.6	18%	0.178	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.3	-171.5	-61.8	159.1	0	0	0	110.3	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.13Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; C283-L296 HydrophobicContact CB-CB 4.23Å; C283-L296 PolarHBondContact N-O 3Å; C283-L296 PolarHBondContact O-N 3.48Å; V285-L296 HydrophobicContact CG2-CD1 3.9Å
297	R	95.6	Very high	79.2	Confident	133 Å²	133	91.1 Å²	91.1	50%	0.502	51%	0.507	S	S	.	.			trans	-121.5	155	166.6	-68.2	-172.4	177.7	170.2	-2.4	109.4	Q279 T282 K299	Q279-R297 PolarHBondContact O-NE 3.01Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; R297-K299 PolarHBondContact O-N 3.01Å
298	W	94.9	Very high	77.6	Confident	44 Å²	44	96.1 Å²	96.1	17%	0.167	53%	0.533	C	S	.	.			trans	-61.5	129	166.4	172.1	59.9	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.79Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.09Å; H215-W298 HydrophobicContact CB-CZ2 4.11Å; H215-W298 VanDerWaalsContact CB-NE1 3.3Å; H215-W298 AromaticContact CD2-CE2 3.98Å; H215-W298 AromaticContact CD2-CZ2 3.94Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact CG-NE1 3.98Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.5Å; L225-W298 HydrophobicContact CD2-CG 4.08Å; E278-W298 HydrophobicContact CB-CD2 4.49Å; E278-W298 HydrophobicContact CB-CE3 3.49Å; E278-W298 VanDerWaalsContact CB-CE3 3.49Å; E278-W298 HydrophobicContact CB-CZ3 3.88Å; E278-W298 HydrophobicContact CG-CE3 3.85Å; E278-W298 HydrophobicContact CG-CZ3 3.83Å; Q279-W298 PolarHBondContact NE2-O 3.49Å; W298-P300 HydrophobicContact CE3-CG 4.31Å; W298-P300 HydrophobicContact CH2-CB 4.29Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 3.97Å; W298-P300 HydrophobicContact CZ3-CG 3.98Å
299	K	88.4	Confident	76.2	Confident	176 Å²	176	98.4 Å²	98.4	77%	0.765	55%	0.552	S	S	*	*			trans	-108.5	120.6	169.5	-68.9	178.4	-179.1	174	0	107.5	R297 S301	R297-K299 PolarHBondContact O-N 3.01Å; K299-S301 PolarHBondContact O-N 3.1Å
300	P	80.7	Confident	75	Confident	80 Å²	80	99.6 Å²	99.6	52%	0.519	56%	0.564	S	S	.	*			trans	-52.2	136.6	170.2	-25.8	33.9	0	0	0	110.3	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.31Å; W298-P300 HydrophobicContact CH2-CB 4.29Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 3.97Å; W298-P300 HydrophobicContact CZ3-CG 3.98Å; P300-S302 PolarHBondContact O-N 3.03Å
301	S	63.9	Low	74.1	Confident	102 Å²	102	102.8 Å²	102.8	71%	0.713	58%	0.58	S	S	*	*			trans	-67	98	-179.5	-177.3	0	0	0	0	110	K299 Q303	K299-S301 PolarHBondContact O-N 3.1Å; S301-Q303 PolarHBondContact O-N 3.08Å
302	S	49.8	Very low	73.3	Confident	115 Å²	115	100.6 Å²	100.6	80%	0.804	56%	0.564	S	S	*	*			trans	-76.4	58.6	170.8	66.4	0	0	0	0	110.5	P300 P304	P300-S302 PolarHBondContact O-N 3.03Å; S302-P304 WeakPolarHBondContact O-CD 3.27Å
303	Q	45.7	Very low	72.5	Confident	160 Å²	160	95.6 Å²	95.6	75%	0.748	55%	0.549	S	S	*	.			trans	-62	115.5	154.2	-80.3	-171.2	-17.3	0	0	106.6	S301 T305	S301-Q303 PolarHBondContact O-N 3.08Å; Q303-T305 PolarHBondContact O-N 3.19Å; Q303-T305 VanDerWaalsContact O-N 3.1Å
304	P	44.5	Very low	71.8	Confident	104 Å²	104	93.7 Å²	93.7	68%	0.675	54%	0.543	S	S	*	.			trans	-64.6	118.5	168.5	27.8	-31.5	0	0	0	106.7	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.27Å; P304-I306 HydrophobicContact CB-CG1 4.41Å; P304-I306 HydrophobicContact CG-CG1 4.34Å; P304-I306 PolarHBondContact O-N 2.88Å
305	T	50.6	Low	71.3	Confident	137 Å²	137	96 Å²	96	84%	0.84	56%	0.555	S	S	*	*			trans	-68.3	75.5	166.3	-49.1	0	0	0	0	107.9	Q303 P307	Q303-T305 PolarHBondContact O-N 3.19Å; Q303-T305 VanDerWaalsContact O-N 3.1Å; T305-P307 WeakPolarHBondContact O-CD 3.46Å; T305-P307 VanDerWaalsContact O-N 3.11Å
306	I	54.8	Low	70.6	Confident	101 Å²	101	94.6 Å²	94.6	52%	0.518	55%	0.552	S	S	.	*			trans	-52	120.9	172	-63.5	175.4	0	0	0	105.2	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.41Å; P304-I306 HydrophobicContact CG-CG1 4.34Å; P304-I306 PolarHBondContact O-N 2.88Å; I306-I308 HydrophobicContact CG2-CG1 4.24Å; I306-I308 PolarHBondContact O-N 3.15Å; I306-I311 HydrophobicContact CG2-CD1 3.89Å
307	P	57.4	Low	70	Confident	85 Å²	85	97 Å²	97	55%	0.552	57%	0.568	S	S	*	*			trans	-76.8	73.1	-174.8	30.8	-34.9	0	0	0	108.9	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.46Å; T305-P307 VanDerWaalsContact O-N 3.11Å; P307-V309 PolarHBondContact O-N 3.34Å; P307-G310 CarbonylContact O-C 3.53Å; P307-G310 WeakPolarHBondContact O-CA 3.27Å; P307-G310 PolarHBondContact O-N 2.88Å; P307-I311 PolarHBondContact O-N 3.22Å
308	I	60.7	Low	69.5	Low	117 Å²	117	96 Å²	96	60%	0.6	57%	0.572	S	S	*	*	H	α-helix	trans	-54.1	-39.6	178.3	-65.5	167.7	0	0	0	109.3	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.24Å; I306-I308 PolarHBondContact O-N 3.15Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.42Å; I308-I311 PolarHBondContact O-N 3.17Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 VanDerWaalsContact O-CG2 3.25Å; I308-V312 WeakPolarHBondContact O-CG2 3.48Å; I308-V312 PolarHBondContact O-N 3.42Å
309	V	61.2	Low	69	Low	125 Å²	125	96.6 Å²	96.6	76%	0.758	59%	0.586	S	S	*	*	H	α-helix	trans	-57.3	-43.8	171.9	-178.1	0	0	0	0	112.1	P307 A313	P307-V309 PolarHBondContact O-N 3.34Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 2.82Å
310	G	66.1	Low	68.8	Low	44 Å²	44	92.4 Å²	92.4	45%	0.454	58%	0.575	S	S	.	*	H	α-helix	trans	-69.3	-39.2	178.2	0	0	0	0	0	113.2	P307 I308 G314	P307-G310 CarbonylContact O-C 3.53Å; P307-G310 WeakPolarHBondContact O-CA 3.27Å; P307-G310 PolarHBondContact O-N 2.88Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.42Å; G310-G314 PolarHBondContact O-N 3.23Å
311	I	73.4	Confident	69	Low	93 Å²	93	93.5 Å²	93.5	48%	0.477	58%	0.576	S	S	.	*	H	α-helix	trans	-66.5	-46.8	175.7	-63	171.1	0	0	0	110.2	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.89Å; P307-I311 PolarHBondContact O-N 3.22Å; I308-I311 PolarHBondContact O-N 3.17Å; I311-G314 PolarHBondContact O-N 2.9Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 WeakPolarHBondContact O-CB 3.24Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 3.17Å
312	V	75.1	Confident	69.9	Low	88 Å²	88	91.7 Å²	91.7	53%	0.533	57%	0.568	S	S	.	*	H	α-helix	trans	-63.4	-42.6	177.3	170.4	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 VanDerWaalsContact O-CG2 3.25Å; I308-V312 WeakPolarHBondContact O-CG2 3.48Å; I308-V312 PolarHBondContact O-N 3.42Å; V312-L315 PolarHBondContact O-N 2.91Å; V312-A316 WeakPolarHBondContact O-CB 3.4Å; V312-A316 PolarHBondContact O-N 3.25Å
313	A	75.1	Confident	71.4	Confident	51 Å²	51	90.8 Å²	90.8	42%	0.421	56%	0.557	S	S	.	*	H	α-helix	trans	-62.8	-44.3	174.9	0	0	0	0	0	112.1	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 2.82Å; A313-A316 PolarHBondContact O-N 3.18Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 2.8Å
314	G	80.7	Confident	73.1	Confident	34 Å²	34	88 Å²	88	35%	0.351	55%	0.547	S	S	.	.	H	α-helix	trans	-61.4	-44.3	176.5	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.23Å; I311-G314 PolarHBondContact O-N 2.9Å; G314-V317 PolarHBondContact O-N 2.76Å; G314-L318 WeakPolarHBondContact O-CG 2.99Å; G314-L318 PolarHBondContact O-N 3.03Å
315	L	85	Confident	74.9	Confident	109 Å²	109	85 Å²	85	57%	0.571	54%	0.535	S	S	*	.	H	α-helix	trans	-65.2	-39.6	175.7	-71.1	171.7	0	0	0	112.3	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 WeakPolarHBondContact O-CB 3.24Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 3.17Å; V312-L315 PolarHBondContact O-N 2.91Å; L315-L318 PolarHBondContact O-N 3.38Å; L315-A319 WeakPolarHBondContact O-CB 3.32Å; L315-A319 PolarHBondContact O-N 3.44Å
316	A	82.1	Confident	76.2	Confident	54 Å²	54	81.2 Å²	81.2	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-43.5	175.6	0	0	0	0	0	112	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.4Å; V312-A316 PolarHBondContact O-N 3.25Å; A313-A316 PolarHBondContact O-N 3.18Å; A316-A319 PolarHBondContact O-N 2.66Å; A316-V320 WeakPolarHBondContact O-CG2 3.48Å; A316-V320 PolarHBondContact O-N 3.04Å
317	V	85.1	Confident	77.2	Confident	86 Å²	86	82.1 Å²	82.1	52%	0.521	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.3	170.9	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 2.8Å; G314-V317 PolarHBondContact O-N 2.76Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3Å; V317-V320 PolarHBondContact O-N 3.49Å; V317-L321 HydrophobicContact CG1-CD1 3.92Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CB 3.47Å; V317-L321 WeakPolarHBondContact O-CG 3.08Å; V317-L321 PolarHBondContact O-N 3.35Å
318	L	84.7	Confident	78.1	Confident	112 Å²	112	82.2 Å²	82.2	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-61.2	-41	175.8	-76.6	168	0	0	0	112.4	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CG 2.99Å; G314-L318 PolarHBondContact O-N 3.03Å; L315-L318 PolarHBondContact O-N 3.38Å; L318-L321 PolarHBondContact O-N 3.34Å; L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.38Å
319	A	83.9	Confident	78.7	Confident	56 Å²	56	79.1 Å²	79.1	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-63.7	-44	176.1	0	0	0	0	0	112.1	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.32Å; L315-A319 PolarHBondContact O-N 3.44Å; A316-A319 PolarHBondContact O-N 2.66Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3Å; A319-A322 PolarHBondContact O-N 3.46Å; A319-V323 WeakPolarHBondContact O-CG2 3.37Å; A319-V323 PolarHBondContact O-N 2.93Å
320	V	84.7	Confident	79.3	Confident	88 Å²	88	76.8 Å²	76.8	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-44.3	175.7	170.6	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.48Å; A316-V320 PolarHBondContact O-N 3.04Å; V317-V320 PolarHBondContact O-N 3.49Å; V320-A322 PolarHBondContact O-N 3.03Å; V320-V323 PolarHBondContact O-N 3.3Å; V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 WeakPolarHBondContact O-CB 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.46Å; V320-L324 PolarHBondContact O-N 3.06Å
321	L	84.9	Confident	79.6	Confident	103 Å²	103	78.9 Å²	78.9	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-39.1	176.6	-70.9	172.1	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.92Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CB 3.47Å; V317-L321 WeakPolarHBondContact O-CG 3.08Å; V317-L321 PolarHBondContact O-N 3.35Å; L318-L321 PolarHBondContact O-N 3.34Å; L321-L324 PolarHBondContact O-N 3.18Å; L321-G325 PolarHBondContact O-N 3.15Å
322	A	82.5	Confident	79.5	Confident	64 Å²	64	80.5 Å²	80.5	53%	0.529	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-42.7	175.6	0	0	0	0	0	112.2	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.38Å; A319-A322 PolarHBondContact O-N 3.46Å; V320-A322 PolarHBondContact O-N 3.03Å; A322-G325 PolarHBondContact O-N 2.74Å; A322-A326 WeakPolarHBondContact O-CB 3.38Å; A322-A326 PolarHBondContact O-N 3.24Å
323	V	82.3	Confident	78.8	Confident	95 Å²	95	80.5 Å²	80.5	58%	0.576	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-43.4	175.2	171.3	0	0	0	0	111.3	A319 V320 A326 M327	A319-V323 WeakPolarHBondContact O-CG2 3.37Å; A319-V323 PolarHBondContact O-N 2.93Å; V320-V323 PolarHBondContact O-N 3.3Å; V323-A326 PolarHBondContact O-N 2.9Å; V323-M327 HydrophobicContact CG1-CG 4.46Å; V323-M327 WeakPolarHBondContact O-CB 3.43Å; V323-M327 VanDerWaalsContact O-CG 3.25Å; V323-M327 WeakPolarHBondContact O-CG 3.45Å; V323-M327 PolarHBondContact O-N 2.97Å
324	L	81.4	Confident	78.2	Confident	102 Å²	102	87.1 Å²	87.1	53%	0.534	53%	0.525	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175.6	-72	169.4	0	0	0	111.8	V320 L321 M327 V328	V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 WeakPolarHBondContact O-CB 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.46Å; V320-L324 PolarHBondContact O-N 3.06Å; L321-L324 PolarHBondContact O-N 3.18Å; L324-M327 PolarHBondContact O-N 3.23Å; L324-V328 WeakPolarHBondContact O-CG2 3.38Å; L324-V328 PolarHBondContact O-N 2.93Å
325	G	80.7	Confident	77	Confident	41 Å²	41	95.6 Å²	95.6	42%	0.423	55%	0.546	S	S	.	.	H	α-helix	trans	-60.5	-44.4	175	0	0	0	0	0	112.8	L321 A322 V328 A329	L321-G325 PolarHBondContact O-N 3.15Å; A322-G325 PolarHBondContact O-N 2.74Å; G325-V328 PolarHBondContact O-N 3.39Å; G325-A329 WeakPolarHBondContact O-CB 3.37Å; G325-A329 PolarHBondContact O-N 2.74Å
326	A	78.2	Confident	75.4	Confident	57 Å²	57	99 Å²	99	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-62.9	-42.1	175.1	0	0	0	0	0	112.2	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.38Å; A322-A326 PolarHBondContact O-N 3.24Å; V323-A326 PolarHBondContact O-N 2.9Å; A326-A329 PolarHBondContact O-N 2.95Å; A326-V330 WeakPolarHBondContact O-CB 2.95Å; A326-V330 WeakPolarHBondContact O-CG2 3.33Å; A326-V330 PolarHBondContact O-N 2.84Å
327	M	76	Confident	74	Confident	121 Å²	121	101 Å²	101	60%	0.596	57%	0.567	S	S	*	*	H	α-helix	trans	-63.2	-43.3	176	-73.5	-72.6	-79.8	0	0	112	V323 L324 V330 V331	V323-M327 HydrophobicContact CG1-CG 4.46Å; V323-M327 WeakPolarHBondContact O-CB 3.43Å; V323-M327 VanDerWaalsContact O-CG 3.25Å; V323-M327 WeakPolarHBondContact O-CG 3.45Å; V323-M327 PolarHBondContact O-N 2.97Å; L324-M327 PolarHBondContact O-N 3.23Å; M327-V330 PolarHBondContact O-N 3.33Å; M327-V331 WeakPolarHBondContact O-CB 3.48Å; M327-V331 VanDerWaalsContact O-CG2 3.31Å; M327-V331 WeakPolarHBondContact O-CG2 3.47Å; M327-V331 PolarHBondContact O-N 2.86Å
328	V	76.8	Confident	72.3	Confident	87 Å²	87	101.6 Å²	101.6	53%	0.527	58%	0.575	S	S	.	*	H	α-helix	trans	-62.2	-44.6	174.1	171.4	0	0	0	0	110.9	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.38Å; L324-V328 PolarHBondContact O-N 2.93Å; G325-V328 PolarHBondContact O-N 3.39Å; V328-V330 PolarHBondContact O-N 2.74Å; V328-V331 PolarHBondContact O-N 3.26Å; V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.15Å; V328-M332 WeakPolarHBondContact O-CB 3.33Å; V328-M332 WeakPolarHBondContact O-CG 3.46Å; V328-M332 PolarHBondContact O-N 2.73Å
329	A	72.9	Confident	70.4	Confident	51 Å²	51	99.5 Å²	99.5	42%	0.421	58%	0.58	S	S	.	*	H	α-helix	trans	-61.3	-44.4	176.9	0	0	0	0	0	112.3	G325 A326 V331 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.37Å; G325-A329 PolarHBondContact O-N 2.74Å; A326-A329 PolarHBondContact O-N 2.95Å; A329-V331 PolarHBondContact O-N 3.14Å; A329-M332 PolarHBondContact O-N 2.88Å; A329-C333 WeakPolarHBondContact O-CB 3.35Å; A329-C333 PolarHBondContact O-N 3.14Å; A329-C333 PolarHBondContact O-SG 2.87Å; A329-C333 VanDerWaalsContact O-SG 3.39Å
330	V	73.5	Confident	68.2	Low	76 Å²	76	100.7 Å²	100.7	46%	0.461	60%	0.598	S	S	.	*	H	α-helix	trans	-63.3	-41.1	175.8	168.7	0	0	0	0	111.6	A326 M327 V328 C333 R334	A326-V330 WeakPolarHBondContact O-CB 2.95Å; A326-V330 WeakPolarHBondContact O-CG2 3.33Å; A326-V330 PolarHBondContact O-N 2.84Å; M327-V330 PolarHBondContact O-N 3.33Å; V328-V330 PolarHBondContact O-N 2.74Å; V330-C333 PolarHBondContact O-N 3.48Å; V330-R334 WeakPolarHBondContact O-CB 3.11Å; V330-R334 WeakPolarHBondContact O-CG 3.27Å; V330-R334 PolarHBondContact O-N 2.94Å
331	V	72.5	Confident	65.9	Low	88 Å²	88	106.9 Å²	106.9	53%	0.533	62%	0.618	S	S	.	*	H	α-helix	trans	-65.1	-43.4	175.4	168.8	0	0	0	0	111.2	M327 V328 A329 R334 R335	M327-V331 WeakPolarHBondContact O-CB 3.48Å; M327-V331 VanDerWaalsContact O-CG2 3.31Å; M327-V331 WeakPolarHBondContact O-CG2 3.47Å; M327-V331 PolarHBondContact O-N 2.86Å; V328-V331 PolarHBondContact O-N 3.26Å; A329-V331 PolarHBondContact O-N 3.14Å; V331-R334 PolarHBondContact O-N 3.11Å; V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 PolarHBondContact O-N 3.37Å
332	M	70.9	Confident	63.5	Low	128 Å²	128	106 Å²	106	63%	0.631	63%	0.633	S	S	*	*	H	α-helix	trans	-64.3	-42.6	175.9	-72.9	-174.8	71.7	0	0	112.2	V328 A329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.15Å; V328-M332 WeakPolarHBondContact O-CB 3.33Å; V328-M332 WeakPolarHBondContact O-CG 3.46Å; V328-M332 PolarHBondContact O-N 2.73Å; A329-M332 PolarHBondContact O-N 2.88Å; M332-R335 PolarHBondContact O-N 2.69Å; M332-K336 WeakPolarHBondContact O-CB 3.14Å; M332-K336 PolarHBondContact O-N 3.44Å
333	C	62	Low	61	Low	87 Å²	87	106.9 Å²	106.9	59%	0.588	65%	0.649	S	S	*	*	H	α-helix	trans	-60.8	-44.7	173.6	-75.7	0	0	0	0	111.8	A329 V330 R335 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.35Å; A329-C333 PolarHBondContact O-N 3.14Å; A329-C333 PolarHBondContact O-SG 2.87Å; A329-C333 VanDerWaalsContact O-SG 3.39Å; V330-C333 PolarHBondContact O-N 3.48Å; C333-R335 VanDerWaalsContact C-N 3.34Å; C333-R335 PolarHBondContact O-N 2.95Å; C333-K336 CarbonylContact O-C 3.59Å; C333-K336 PolarHBondContact O-N 2.97Å; C333-K336 VanDerWaalsContact O-N 3.1Å; C333-S337 PolarHBondContact O-N 3.28Å; C333-S337 PolarHBondContact O-OG 3.2Å
334	R	60.7	Low	58.7	Low	190 Å²	190	107.7 Å²	107.7	72%	0.717	66%	0.659	S	S	*	*	H	α-helix	trans	-64.3	-34.6	175.2	-80.1	-177	162.5	-179.3	-4.9	113.3	V330 V331 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.11Å; V330-R334 WeakPolarHBondContact O-CG 3.27Å; V330-R334 PolarHBondContact O-N 2.94Å; V331-R334 PolarHBondContact O-N 3.11Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-S337 WeakPolarHBondContact CA-OG 3.3Å; R334-S337 PolarHBondContact O-OG 3.29Å
335	R	57	Low	56.3	Low	212 Å²	212	108.6 Å²	108.6	80%	0.8	67%	0.673	S	S	*	*	H	α-helix	trans	-71.1	-23.9	173.1	-131.3	176.9	-175.2	177.6	0.8	113	V331 M332 C333 S338	V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 PolarHBondContact O-N 3.37Å; M332-R335 PolarHBondContact O-N 2.69Å; C333-R335 VanDerWaalsContact C-N 3.34Å; C333-R335 PolarHBondContact O-N 2.95Å; R335-S338 PolarHBondContact O-OG 2.95Å
336	K	51	Low	53.9	Low	180 Å²	180	111.3 Å²	111.3	78%	0.783	69%	0.685	S	S	*	*	H	α-helix	trans	-89.3	-25.5	176.7	-164	171.9	-177.1	179.5	0	112.9	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.14Å; M332-K336 PolarHBondContact O-N 3.44Å; C333-K336 CarbonylContact O-C 3.59Å; C333-K336 PolarHBondContact O-N 2.97Å; C333-K336 VanDerWaalsContact O-N 3.1Å; R334-K336 VanDerWaalsContact C-N 3.3Å
337	S	51.9	Low	51.7	Low	96 Å²	96	117.7 Å²	117.7	67%	0.671	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-5.8	176.8	64.5	0	0	0	0	114.6	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.28Å; C333-S337 PolarHBondContact O-OG 3.2Å; R334-S337 WeakPolarHBondContact CA-OG 3.3Å; R334-S337 PolarHBondContact O-OG 3.29Å; S337-G339 VanDerWaalsContact C-N 3.28Å; S337-G339 PolarHBondContact O-N 3.13Å
338	S	48.9	Very low	49.5	Very low	100 Å²	100	116.1 Å²	116.1	70%	0.699	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	18.3	178.9	65.9	0	0	0	0	114.3	R335	R335-S338 PolarHBondContact O-OG 2.95Å
339	G	46.6	Very low	47.4	Very low	67 Å²	67	116.6 Å²	116.6	69%	0.691	72%	0.724	S	S	*	*	S	Bend	trans	-164.6	95.5	-179.9	0	0	0	0	0	113.5	S337	S337-G339 VanDerWaalsContact C-N 3.28Å; S337-G339 PolarHBondContact O-N 3.13Å
340	G	36.7	Very low	45.6	Very low	81 Å²	81	119.5 Å²	119.5	84%	0.835	74%	0.741	S	S	*	*			trans	162.5	128.5	175.4	0	0	0	0	0	111.3
341	K	36.1	Very low	43.6	Very low	218 Å²	218	121.4 Å²	121.4	95%	0.948	76%	0.758	S	S	*	*			trans	-139.1	126.7	-171.9	-179.2	179.6	179.5	179.5	0	111.4
342	G	34	Very low	41.9	Very low	84 Å²	84	124.8 Å²	124.8	87%	0.866	77%	0.773	S	S	*	*			trans	100.5	155.4	166.4	0	0	0	0	0	116
343	G	31.2	Very low	40.4	Very low	83 Å²	83	125 Å²	125	86%	0.856	79%	0.787	S	S	*	*			trans	130.8	129.3	-179.4	0	0	0	0	0	111.9
344	S	33.5	Very low	39.3	Very low	113 Å²	113	125 Å²	125	79%	0.79	79%	0.794	S	S	*	*			trans	-153	147.2	-178.1	-174.2	0	0	0	0	111.1
345	C	30.4	Very low	38.2	Very low	121 Å²	121	125.9 Å²	125.9	82%	0.818	81%	0.806	S	S	*	*			trans	63.7	156.7	170.9	-77.1	0	0	0	0	116.7
346	S	32	Very low	37.1	Very low	98 Å²	98	119 Å²	119	69%	0.685	80%	0.801	S	S	*	*			cis	-166.2	143.1	-5.5	36.4	0	0	0	0	112.8
347	Q	32.2	Very low	36.5	Very low	191 Å²	191	115.5 Å²	115.5	89%	0.893	80%	0.799	S	S	*	*			trans	60.8	152.7	134.6	-158.1	167.2	3.1	0	0	122.8
348	A	29.2	Very low	35.8	Very low	87 Å²	87	117.5 Å²	117.5	72%	0.719	80%	0.802	S	S	*	*			trans	73.1	133.3	175.8	0	0	0	0	0	116.2
349	A	32.7	Very low	35.1	Very low	97 Å²	97	120.9 Å²	120.9	80%	0.802	81%	0.807	S	S	*	*			cis	77.7	136	35	0	0	0	0	0	113.2
350	S	33.6	Very low	34.5	Very low	112 Å²	112	122.4 Å²	122.4	78%	0.783	81%	0.807	S	S	*	*			cis	-158.2	173.9	0	58.5	0	0	0	0	111.4
351	S	32.3	Very low	34.4	Very low	117 Å²	117	126 Å²	126	82%	0.818	81%	0.807	S	S	*	*			trans	-166.8	136.5	143.7	10.9	0	0	0	0	111.4
352	N	36.4	Very low	34.4	Very low	159 Å²	159	122.5 Å²	122.5	85%	0.85	80%	0.797	S	S	*	*			trans	-110.8	151.2	170.1	-73.3	-14.6	0	0	0	109.3
353	S	40.9	Very low	34.1	Very low	131 Å²	131	123.1 Å²	123.1	92%	0.916	79%	0.794	S	S	*	*			trans	-137.3	133.1	153.3	-66.7	0	0	0	0	107.4
354	A	39	Very low	34.1	Very low	89 Å²	89	124.9 Å²	124.9	74%	0.736	79%	0.792	S	S	*	*			trans	-147.4	143.6	-169.6	0	0	0	0	0	113.1
355	Q	37.5	Very low	34.1	Very low	207 Å²	207	128.8 Å²	128.8	97%	0.967	79%	0.794	S	S	*	*			trans	164.6	136.4	161.7	-95.3	158.1	-14.9	0	0	104.9
356	G	32.6	Very low	34.4	Very low	67 Å²	67	130.9 Å²	130.9	69%	0.691	82%	0.821	S	S	*	*			cis	149	143.4	5.2	0	0	0	0	0	107.3
357	S	39.1	Very low	34.5	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	83%	0.827	S	S	*	*			cis	-155.8	-150.2	-5.2	-59.2	0	0	0	0	107.2
358	D	37	Very low	34.7	Very low	138 Å²	138	129.5 Å²	129.5	74%	0.738	82%	0.824	S	S	*	*			cis	-160.9	-164.4	1	-134.3	-44.8	0	0	0	112
359	E	35	Very low	35	Very low	172 Å²	172	131.8 Å²	131.8	80%	0.804	83%	0.83	S	S	*	*			trans	-14.6	150.9	154.3	-73.2	-172.7	151.5	0	0	119.1
360	S	33.9	Very low	35.1	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	83%	0.831	S	S	*	*			cis	-171.2	174.4	-2.1	56.5	0	0	0	0	109.2
361	L	34.9	Very low	35.2	Very low	157 Å²	157	135.3 Å²	135.3	82%	0.822	83%	0.834	S	S	*	*			cis	-151.6	-153	-0.4	-132.3	165.7	0	0	0	110.9
362	I	35.2	Very low	35.4	Very low	143 Å²	143	136.5 Å²	136.5	73%	0.733	84%	0.836	S	S	*	*			trans	-95.5	149.2	-167.9	-76.6	160.7	0	0	0	115.5
363	A	28.1	Very low	35.3	Very low	98 Å²	98	134.9 Å²	134.9	81%	0.81	84%	0.835	S	S	*	*			trans	-152.5	108.9	140.4	0	0	0	0	0	113.5
364	C	30.3	Very low	34.9	Very low	120 Å²	120	135.2 Å²	135.2	81%	0.811	83%	0.828	S	S	*	*			trans	-166.4	144.6	166.5	-107.7	0	0	0	0	106.3
365	K	33.9	Very low	34.6	Very low	194 Å²	194	139 Å²	139	84%	0.843	84%	0.836	S	S	*	*			cis	-161.8	149.7	-0.2	179.4	-176.3	-179.2	-175.8	0	107.8
366	A	37.3	Very low	34.3	Very low	166 Å²	166	132.8 Å²	132.8	100%	1.372	82%	0.824	S	S	*	*			trans	-141	0	158.8	0	0	0	0	0	107.9

Retrieved 366 of 366 residues in 65.6 ms (Link to these results)

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