A0A060VD27_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VD27, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	43.5	Very low	242 Å²	242	144.3 Å²	144.3	100%	1.192	74%	0.736	S	S	*	*				0	117.9	0	-72.1	157.4	163.7	0	0	108.3
2	R	35.7	Very low	43.8	Very low	251 Å²	251	143.3 Å²	143.3	95%	0.947	73%	0.733	S	S	*	*			trans	-97.1	111.7	166.2	-90.2	-177.7	170.7	164.9	-3.2	107	M4	R2-M4 PolarHBondContact O-N 3.22Å
3	V	37.6	Very low	43.4	Very low	141 Å²	141	140.5 Å²	140.5	86%	0.855	72%	0.719	S	S	*	*			trans	-74	108	171.9	179.2	0	0	0	0	107.1	A5	V3-A5 PolarHBondContact O-N 2.63Å
4	M	42.4	Very low	43.3	Very low	179 Å²	179	135.1 Å²	135.1	88%	0.882	70%	0.7	S	S	*	*			trans	-84.4	97.3	177.5	-167.1	167.8	70.2	0	0	108	R2	R2-M4 PolarHBondContact O-N 3.22Å
5	A	45.8	Very low	43.1	Very low	64 Å²	64	128.4 Å²	128.4	53%	0.529	68%	0.678	S	S	.	*			trans	-57.7	139	176.7	0	0	0	0	0	110.3	V3 R7	V3-A5 PolarHBondContact O-N 2.63Å; A5-R7 PolarHBondContact O-N 3.02Å
6	P	47.4	Very low	42.8	Very low	81 Å²	81	122.6 Å²	122.6	53%	0.526	66%	0.658	S	S	.	*			trans	-65.9	125.3	-176.9	-17	29.9	0	0	0	110.5	A8 L9	P6-A8 PolarHBondContact O-N 3.29Å; P6-A8 VanDerWaalsContact O-N 3.07Å; P6-L9 WeakPolarHBondContact O-CB 3.44Å; P6-L9 PolarHBondContact O-N 3.07Å
7	R	50.3	Low	42.3	Very low	220 Å²	220	121.9 Å²	121.9	83%	0.83	65%	0.654	S	S	*	*	H	α-helix	trans	-55.1	-26.4	175	-86	178.2	163.5	168.3	-6.9	113.3	A5 L9 L11	A5-R7 PolarHBondContact O-N 3.02Å; R7-L9 VanDerWaalsContact C-N 3.35Å; R7-L11 PolarHBondContact O-N 2.9Å
8	A	48.7	Very low	42	Very low	65 Å²	65	118.4 Å²	118.4	54%	0.537	64%	0.644	S	S	.	*	H	α-helix	trans	-64.2	-34.5	173.7	0	0	0	0	0	113.5	P6 L11 L12	P6-A8 PolarHBondContact O-N 3.29Å; P6-A8 VanDerWaalsContact O-N 3.07Å; A8-L11 PolarHBondContact O-N 3.28Å; A8-L12 PolarHBondContact O-N 2.92Å
9	L	42.7	Very low	41.8	Very low	108 Å²	108	118 Å²	118	57%	0.565	64%	0.641	S	S	*	*	H	α-helix	trans	-70.5	-35.5	-179.3	-139.5	83.4	0	0	0	111.7	P6 R7 L13	P6-L9 WeakPolarHBondContact O-CB 3.44Å; P6-L9 PolarHBondContact O-N 3.07Å; R7-L9 VanDerWaalsContact C-N 3.35Å; L9-L13 WeakPolarHBondContact O-CG 3.26Å; L9-L13 PolarHBondContact O-N 3.35Å
10	L	44.8	Very low	41.5	Very low	114 Å²	114	116.6 Å²	116.6	60%	0.597	64%	0.636	S	S	*	*	H	α-helix	trans	-67.6	-37.7	175.5	-88.4	149.3	0	0	0	112.3	L13 S14	L10-L13 PolarHBondContact O-N 3.22Å; L10-S14 PolarHBondContact O-N 3.42Å; L10-S14 PolarHBondContact O-OG 2.89Å
11	L	48.8	Very low	41.2	Very low	122 Å²	122	118.6 Å²	118.6	64%	0.639	64%	0.641	S	S	*	*	H	α-helix	trans	-68.6	-39.2	177.8	-74.7	167.7	0	0	0	112.5	R7 A8 L13 S14 G15	R7-L11 PolarHBondContact O-N 2.9Å; A8-L11 PolarHBondContact O-N 3.28Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-S14 WeakPolarHBondContact CA-OG 3.41Å; L11-S14 PolarHBondContact O-N 2.91Å; L11-S14 PolarHBondContact O-OG 3.14Å; L11-G15 PolarHBondContact O-N 3.03Å
12	L	47.2	Very low	41.6	Very low	132 Å²	132	112.1 Å²	112.1	69%	0.691	62%	0.616	S	S	*	*	H	α-helix	trans	-63.5	-39.5	173.8	-74.9	164.4	0	0	0	112	A8 G15 G16	A8-L12 PolarHBondContact O-N 2.92Å; L12-G15 PolarHBondContact O-N 2.98Å; L12-G16 PolarHBondContact O-N 2.88Å
13	L	39.4	Very low	42.2	Very low	107 Å²	107	105.9 Å²	105.9	56%	0.56	59%	0.592	S	S	*	*	H	α-helix	trans	-67.3	-37.3	175.8	-73.9	165.2	0	0	0	112.6	L9 L10 L11 L17	L9-L13 WeakPolarHBondContact O-CG 3.26Å; L9-L13 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 3.22Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.13Å
14	S	41.5	Very low	42.9	Very low	65 Å²	65	101.3 Å²	101.3	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-69.5	-34.3	173.5	47.8	0	0	0	0	113.5	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.42Å; L10-S14 PolarHBondContact O-OG 2.89Å; L11-S14 WeakPolarHBondContact CA-OG 3.41Å; L11-S14 PolarHBondContact O-N 2.91Å; L11-S14 PolarHBondContact O-OG 3.14Å; S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.5Å; S14-A18 VanDerWaalsContact O-N 3.1Å
15	G	40.9	Very low	44.3	Very low	35 Å²	35	95.7 Å²	95.7	36%	0.361	55%	0.547	S	S	.	.	H	α-helix	trans	-66.4	-43.5	173.4	0	0	0	0	0	112.2	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.03Å; L12-G15 PolarHBondContact O-N 2.98Å; G15-A18 PolarHBondContact O-N 3.3Å; G15-L19 PolarHBondContact O-N 2.93Å; G15-L19 VanDerWaalsContact O-N 3.09Å
16	G	38.1	Very low	46.5	Very low	35 Å²	35	96.1 Å²	96.1	36%	0.361	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-42.8	175	0	0	0	0	0	113.3	L12 L19 T20	L12-G16 PolarHBondContact O-N 2.88Å; G16-L19 PolarHBondContact O-N 2.96Å; G16-T20 PolarHBondContact O-N 2.88Å; G16-T20 VanDerWaalsContact O-N 3.08Å; G16-T20 PolarHBondContact O-OG1 3.41Å
17	L	34	Very low	48.8	Very low	112 Å²	112	93.7 Å²	93.7	59%	0.586	53%	0.528	S	S	*	.	H	α-helix	trans	-64.3	-42.9	177.5	-80.2	163.3	0	0	0	112.4	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.13Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.03Å; L17-T20 WeakPolarHBondContact CA-OG1 3.1Å; L17-T20 PolarHBondContact O-N 3.02Å; L17-T20 VanDerWaalsContact O-N 3.08Å; L17-T20 PolarHBondContact O-OG1 3.16Å; L17-E21 PolarHBondContact O-N 3.15Å
18	A	36.7	Very low	51	Low	59 Å²	59	84.3 Å²	84.3	49%	0.488	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-32.9	175.3	0	0	0	0	0	112.9	S14 G15 T20	S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.5Å; S14-A18 VanDerWaalsContact O-N 3.1Å; G15-A18 PolarHBondContact O-N 3.3Å; A18-T20 VanDerWaalsContact C-N 3.35Å
19	L	37.7	Very low	53.4	Low	110 Å²	110	81.3 Å²	81.3	58%	0.576	47%	0.47	S	S	*	.	H	α-helix	trans	-74.9	-18.9	173.3	-86.9	158.9	0	0	0	113.8	G15 G16 L17 T22	G15-L19 PolarHBondContact O-N 2.93Å; G15-L19 VanDerWaalsContact O-N 3.09Å; G16-L19 PolarHBondContact O-N 2.96Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 2.85Å
20	T	35.8	Very low	56.1	Low	89 Å²	89	78.5 Å²	78.5	55%	0.546	45%	0.452	S	S	.	.	H	α-helix	trans	-93.1	-26.5	175.5	52.1	0	0	0	0	114.1	G16 L17 A18 T22 W23	G16-T20 PolarHBondContact O-N 2.88Å; G16-T20 VanDerWaalsContact O-N 3.08Å; G16-T20 PolarHBondContact O-OG1 3.41Å; L17-T20 WeakPolarHBondContact CA-OG1 3.1Å; L17-T20 PolarHBondContact O-N 3.02Å; L17-T20 VanDerWaalsContact O-N 3.08Å; L17-T20 PolarHBondContact O-OG1 3.16Å; A18-T20 VanDerWaalsContact C-N 3.35Å; T20-T22 VanDerWaalsContact C-N 3.32Å; T20-W23 PolarHBondContact O-N 3.47Å
21	E	36.3	Very low	58.6	Low	160 Å²	160	73.5 Å²	73.5	75%	0.748	43%	0.426	S	S	*	.	H	α-helix	trans	-71.9	-24.4	176.2	-81	-172.8	145.2	0	0	113	L17 W23	L17-E21 PolarHBondContact O-N 3.15Å; E21-W23 PolarHBondContact O-N 3.21Å
22	T	41.2	Very low	61	Low	106 Å²	106	71.8 Å²	71.8	65%	0.65	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.6	176.5	50.3	0	0	0	0	114.6	L19 T20	L19-T22 PolarHBondContact O-OG1 2.85Å; T20-T22 VanDerWaalsContact C-N 3.32Å
23	W	48.5	Very low	63.5	Low	119 Å²	119	65.6 Å²	65.6	45%	0.451	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	5.5	-175.8	-80.2	74.2	0	0	0	114.1	T20 E21 C25 H287 E288 L290	T20-W23 PolarHBondContact O-N 3.47Å; E21-W23 PolarHBondContact O-N 3.21Å; W23-C25 PolarHBondContact O-N 3.2Å; W23-H287 WeakPolarHBondContact CH2-O 3.38Å; W23-E288 VanDerWaalsContact CH2-O 3.25Å; W23-E288 WeakPolarHBondContact CH2-O 3.34Å; W23-E288 HydrophobicContact CZ3-CB 4.45Å; W23-E288 WeakPolarHBondContact CZ3-O 3.36Å; W23-L290 WeakPolarHBondContact CH2-O 3.5Å; W23-L290 WeakPolarHBondContact CZ2-O 3.24Å
24	A	53.1	Low	66.3	Low	45 Å²	45	62.4 Å²	62.4	37%	0.372	37%	0.366	S	S	.	.	S	Bend	trans	-89.4	101.8	175.6	0	0	0	0	0	108.1	S26 P129	A24-S26 PolarHBondContact O-N 3.13Å; A24-P129 HydrophobicContact CB-CB 3.69Å; A24-P129 HydrophobicContact CB-CG 3.27Å; A24-P129 WeakPolarHBondContact O-CG 3.33Å
25	C	72.3	Confident	69	Low	61 Å²	61	59.4 Å²	59.4	41%	0.412	35%	0.345	S	S	.	.			trans	-55.1	109.8	-172.1	-59.9	0	0	0	0	112	W23	W23-C25 PolarHBondContact O-N 3.2Å
26	S	90.9	Very high	71.8	Confident	73 Å²	73	59.6 Å²	59.6	51%	0.51	34%	0.339	S	S	.	.			trans	-85.5	143.4	164.8	56.3	0	0	0	0	109.6	A24 L127	A24-S26 PolarHBondContact O-N 3.13Å; S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.4Å; S26-L127 WeakPolarHBondContact CB-O 3.35Å
27	H	95.4	Very high	74.6	Confident	31 Å²	31	58.8 Å²	58.8	14%	0.144	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.8	178.3	-68.8	-75	0	0	0	111	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.21Å; H27-D53 IonicContact CE1-OD2 3.95Å; H27-D53 IonicContact CG-OD2 3.5Å; H27-D53 IonicContact ND1-OD2 2.76Å; H27-D53 PolarHBondContact ND1-OD2 2.84Å; H27-D126 CarbonylContact O-C 3.5Å; H27-D126 WeakPolarHBondContact O-CA 3.41Å; H27-L127 PolarHBondContact N-O 3.01Å; H27-L127 PolarHBondContact O-N 3.42Å; H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L196 HydrophobicContact CB-CD1 3.64Å; H27-L196 HydrophobicContact CB-CD2 3.93Å; H27-L196 HydrophobicContact CB-CG 4.38Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å
28	S	97.6	Very high	77.4	Confident	23 Å²	23	57 Å²	57	16%	0.161	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.1	-175.6	64.6	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.16Å; S28-D53 PolarHBondContact N-OD1 3.21Å; S28-D53 PolarHBondContact O-N 3.4Å; S28-D53 PolarHBondContact OG-OD1 3Å; S28-C125 WeakPolarHBondContact CA-O 3.41Å; S28-D126 VanDerWaalsContact CB-OD1 3.24Å; S28-D126 WeakPolarHBondContact CB-OD1 3.24Å
29	M	98.6	Very high	79.9	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.1	167.9	-176.3	173.4	62.4	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.23Å; M29-Y31 HydrophobicContact CG-CE2 4.07Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; M29-Y51 WeakPolarHBondContact CA-O 3.45Å; M29-V52 HydrophobicContact CG-CG2 4.26Å; M29-F57 HydrophobicContact CG-CE1 4.35Å; M29-F57 HydrophobicContact CG-CZ 4.47Å; M29-F57 HydrophobicContact SD-CZ 4.2Å; M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 3.46Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.28Å; M29-C188 WeakPolarHBondContact CE-SG 3.37Å; M29-W191 HydrophobicContact CE-CB 4.07Å; M29-W191 HydrophobicContact SD-CB 4.38Å; M29-L192 HydrophobicContact CB-CB 4Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.91Å; M29-L192 HydrophobicContact CB-CG 4.2Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.43Å; M29-Y195 HydrophobicContact SD-CD2 3.74Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	82.3	Confident	50 Å²	50	55.7 Å²	55.7	19%	0.189	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.1	-174.3	-54.1	-62	-173.5	73.8	3	110.2	F32 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; R30-Y51 PolarHBondContact N-O 3.35Å; R30-Y51 PolarHBondContact O-N 3.06Å; R30-D126 IonicContact CZ-OD1 3.47Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 3.39Å; R30-D126 IonicContact NE-OD1 2.87Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 IonicContact NH2-OD1 2.9Å; R30-D126 PolarHBondContact NH2-OD1 3.41Å; R30-D126 IonicContact NH2-OD2 2.79Å; R30-D126 PolarHBondContact NH2-OD2 3.47Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.43Å
31	Y	98.8	Very high	84.8	Confident	9 Å²	9	61.9 Å²	61.9	4%	0.035	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.8	170.5	-72.1	-95.2	0	0	0	109.4	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.23Å; M29-Y31 HydrophobicContact CG-CE2 4.07Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; Y31-V49 WeakPolarHBondContact CA-O 3.3Å; Y31-F57 HydrophobicContact CE1-CZ 4.28Å; Y31-F57 HydrophobicContact CE2-CZ 4.45Å; Y31-F57 AromaticContact CZ-CZ 3.83Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.44Å; Y31-V58 HydrophobicContact CE1-CG2 3.97Å; Y31-M122 WeakPolarHBondContact O-CA 3.39Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.49Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CG-CE1 4.32Å; Y31-Y123 AromaticContact CG-CE2 3.97Å; Y31-Y123 HydrophobicContact CG-CE2 3.97Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.06Å; Y31-Y123 PolarHBondContact O-N 3.34Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å
32	F	98.9	Very high	87.2	Confident	85 Å²	85	57.4 Å²	57.4	37%	0.373	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	108.7	177.9	-57.1	-96.6	0	0	0	109	R30 S48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; F32-S48 WeakPolarHBondContact O-CA 3.3Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 2.99Å; F32-V49 PolarHBondContact O-N 2.99Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; F32-R121 WeakPolarHBondContact CA-O 3.31Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 3.99Å
33	D	98.8	Very high	89.5	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.011	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.4	174.2	-64.3	-29.1	0	0	0	109.5	F46 I47 S48 Q120 R121 Y123	D33-F46 HydrophobicContact CB-CE2 3.82Å; D33-F46 HydrophobicContact CB-CZ 4.1Å; D33-I47 CarbonylContact C-O 3.5Å; D33-S48 WeakPolarHBondContact OD1-CB 3.38Å; D33-S48 PolarHBondContact OD1-OG 3.39Å; D33-Q120 WeakPolarHBondContact O-CA 3.49Å; D33-R121 HydrophobicContact CB-CB 4.27Å; D33-R121 PolarHBondContact N-O 3.17Å; D33-R121 PolarHBondContact O-N 3.43Å; D33-R121 IonicContact OD2-NH1 3.35Å; D33-Y123 WeakPolarHBondContact OD2-CE1 3.43Å
34	T	98.8	Very high	91.7	Very high	41 Å²	41	53.3 Å²	53.3	25%	0.252	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	116.5	174.8	-64.2	0	0	0	0	110.2	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.13Å; T34-F46 WeakPolarHBondContact O-CA 2.95Å; T34-I47 PolarHBondContact N-O 3.32Å; T34-I47 PolarHBondContact O-N 3.41Å; T34-T118 HydrophobicContact CG2-CG2 4.16Å; T34-L119 WeakPolarHBondContact CA-O 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å
35	A	98.6	Very high	93.8	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.1	176.1	0	0	0	0	0	110.7	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.23Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; A35-D98 HydrophobicContact CB-CB 3.6Å; A35-L102 HydrophobicContact CB-CD1 3.85Å; A35-T118 WeakPolarHBondContact O-CA 3.37Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3Å; A35-L119 PolarHBondContact O-N 3.33Å
36	V	98.3	Very high	95	Very high	39 Å²	39	51.6 Å²	51.6	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.1	-179.3	-174.1	0	0	0	0	109.6	T34 S44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.13Å; V36-S44 CarbonylContact O-C 3.49Å; V36-S44 WeakPolarHBondContact O-CA 3.41Å; V36-S44 WeakPolarHBondContact O-CB 3.42Å; V36-R45 PolarHBondContact N-O 2.81Å; V36-R45 PolarHBondContact O-N 2.83Å; V36-H117 WeakPolarHBondContact CA-O 3.49Å; V36-T118 HydrophobicContact CG2-CG2 4.19Å
37	S	96.9	Very high	95.4	Very high	17 Å²	17	50.2 Å²	50.2	12%	0.119	28%	0.277	C	S	.	.			trans	-69.7	147.7	173.1	79.6	0	0	0	0	110.6	G115 S116 H117	S37-G115 PolarHBondContact OG-O 2.48Å; S37-S116 PolarHBondContact O-OG 2.86Å; S37-S116 VanDerWaalsContact O-OG 3.05Å; S37-H117 PolarHBondContact N-O 3.38Å; S37-H117 PolarHBondContact OG-N 2.91Å
38	R	94.4	Very high	95.6	Very high	75 Å²	75	48.7 Å²	48.7	28%	0.283	27%	0.27	S	S	.	.			trans	-140.8	71.8	-173	-68.9	175	168.1	-177.9	-6.9	111.8	G40 R41 R45 D63	R38-G40 PolarHBondContact O-N 3.17Å; R38-R41 HydrophobicContact CB-CB 4.22Å; R38-R41 PolarHBondContact O-N 2.71Å; R38-R45 VanDerWaalsContact NH2-CD 3.29Å; R38-D63 IonicContact CZ-OD2 2.77Å; R38-D63 IonicContact NH1-OD1 3.17Å; R38-D63 IonicContact NH1-OD2 3.62Å; R38-D63 PolarHBondContact NH1-OD2 3.11Å; R38-D63 IonicContact NH2-OD2 3.83Å; R38-D63 PolarHBondContact NH2-OD2 3.11Å
39	P	89.4	Confident	95.6	Very high	48 Å²	48	49 Å²	49	31%	0.312	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	132	180	-27.4	36.6	0	0	0	112.1	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.82Å; P39-R41 VanDerWaalsContact O-N 3.12Å; P39-E113 WeakPolarHBondContact CB-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.28Å
40	G	86.8	Confident	95.6	Very high	93 Å²	93	49 Å²	49	96%	0.959	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	1.9	-178.3	0	0	0	0	0	116.6	R38	R38-G40 PolarHBondContact O-N 3.17Å
41	R	88.4	Confident	95.6	Very high	220 Å²	220	50 Å²	50	83%	0.83	28%	0.275	S	S	*	.	S	Bend	trans	-124.3	22.9	-176.8	-58.8	-174.7	-177.2	-164	1.9	114.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.22Å; R38-R41 PolarHBondContact O-N 2.71Å; P39-R41 PolarHBondContact O-N 2.82Å; P39-R41 VanDerWaalsContact O-N 3.12Å
42	G	86.4	Confident	95.6	Very high	66 Å²	66	49.6 Å²	49.6	68%	0.68	27%	0.273	S	S	*	.	S	Bend	trans	104.8	-151.8	176.7	0	0	0	0	0	113.4
43	E	90.4	Very high	95.5	Very high	109 Å²	109	47 Å²	47	51%	0.509	26%	0.263	S	S	.	.	S	Bend	trans	-77.5	168.3	177.9	-52	-149.7	147.9	0	0	111.8	R45 R99	E43-R45 PolarHBondContact O-N 2.86Å; E43-R99 VanDerWaalsContact CD-NH2 3.27Å; E43-R99 IonicContact OE1-CZ 3.95Å; E43-R99 IonicContact OE1-NH1 2.7Å; E43-R99 PolarHBondContact OE1-NH1 3.31Å; E43-R99 IonicContact OE1-NH2 2.85Å; E43-R99 PolarHBondContact OE1-NH2 2.93Å; E43-R99 IonicContact OE2-CZ 3.44Å; E43-R99 IonicContact OE2-NH1 2.79Å; E43-R99 PolarHBondContact OE2-NH1 2.91Å; E43-R99 IonicContact OE2-NH2 3.16Å
44	S	93.9	Very high	95.3	Very high	29 Å²	29	49.9 Å²	49.9	20%	0.203	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-67.7	131.2	173.6	-48.7	0	0	0	0	109.3	V36	V36-S44 CarbonylContact O-C 3.49Å; V36-S44 WeakPolarHBondContact O-CA 3.41Å; V36-S44 WeakPolarHBondContact O-CB 3.42Å
45	R	97.7	Very high	95.3	Very high	67 Å²	67	49.4 Å²	49.4	25%	0.253	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.4	173.1	179.8	-176.3	-166.4	174.2	10.4	109	A35 V36 R38 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.23Å; V36-R45 PolarHBondContact N-O 2.81Å; V36-R45 PolarHBondContact O-N 2.83Å; R38-R45 VanDerWaalsContact NH2-CD 3.29Å; E43-R45 PolarHBondContact O-N 2.86Å; R45-I47 HydrophobicContact CG-CG1 4.13Å; R45-D61 IonicContact CZ-OD1 3.24Å; R45-D61 IonicContact CZ-OD2 2.75Å; R45-D61 IonicContact NE-OD1 2.73Å; R45-D61 PolarHBondContact NE-OD1 2.77Å; R45-D61 IonicContact NE-OD2 3.51Å; R45-D61 VanDerWaalsContact NH2-CG 3.3Å; R45-D61 IonicContact NH2-OD1 3.11Å; R45-D61 PolarHBondContact NH2-OD1 2.95Å; R45-D61 VanDerWaalsContact NH2-OD1 3.12Å; R45-D61 IonicContact NH2-OD2 2.9Å; R45-D61 PolarHBondContact NH2-OD2 2.83Å; R45-S62 WeakPolarHBondContact CA-OG 3.44Å; R45-S62 WeakPolarHBondContact CG-OG 3.39Å; R45-D63 VanDerWaalsContact CD-OD2 3.24Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 WeakPolarHBondContact CG-OD1 3.5Å; R45-D63 IonicContact CZ-OD2 2.89Å; R45-D63 IonicContact NE-OD2 2.78Å; R45-D63 PolarHBondContact NE-OD2 2.83Å
46	F	98.6	Very high	95.2	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128	171.6	175.5	-93.8	0	0	0	109.5	D33 T34 A35 F60 S62 Y91 Q94 A95 D98	D33-F46 HydrophobicContact CB-CE2 3.82Å; D33-F46 HydrophobicContact CB-CZ 4.1Å; T34-F46 WeakPolarHBondContact O-CA 2.95Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.84Å; F46-F60 HydrophobicContact CD1-CE1 3.84Å; F46-F60 AromaticContact CE1-CD1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 3.93Å; F46-F60 HydrophobicContact CE1-CE1 4.37Å; F46-S62 PolarHBondContact N-OG 2.81Å; F46-S62 PolarHBondContact O-N 3.04Å; F46-S62 PolarHBondContact O-OG 2.91Å; F46-Y91 HydrophobicContact CE1-CD1 4.47Å; F46-Q94 HydrophobicContact CE2-CB 4.18Å; F46-Q94 HydrophobicContact CE2-CG 3.66Å; F46-Q94 HydrophobicContact CZ-CB 3.87Å; F46-Q94 HydrophobicContact CZ-CG 3.68Å; F46-A95 HydrophobicContact CB-CB 3.6Å; F46-A95 HydrophobicContact CD1-CB 3.72Å; F46-A95 HydrophobicContact CD2-CB 4.14Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CG-CB 3.55Å; F46-D98 VanDerWaalsContact CE2-OD2 3.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.28Å
47	I	98.8	Very high	95.2	Very high	44 Å²	44	49.8 Å²	49.8	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.9	171.4	-54.1	177.9	0	0	0	106.9	D33 T34 R45 V49 F60	D33-I47 CarbonylContact C-O 3.5Å; T34-I47 PolarHBondContact N-O 3.32Å; T34-I47 PolarHBondContact O-N 3.41Å; R45-I47 HydrophobicContact CG-CG1 4.13Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å
48	S	98.7	Very high	95.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.4	169.5	-173.1	0	0	0	0	109.3	F32 D33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.3Å; D33-S48 WeakPolarHBondContact OD1-CB 3.38Å; D33-S48 PolarHBondContact OD1-OG 3.39Å; S48-R59 CarbonylContact O-C 3.57Å; S48-R59 WeakPolarHBondContact O-CA 3.01Å; S48-F60 PolarHBondContact N-O 2.82Å; S48-F60 PolarHBondContact O-N 3.1Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.48Å
49	V	98.8	Very high	95.5	Very high	29 Å²	29	49.2 Å²	49.2	18%	0.176	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.2	173.9	-63.2	0	0	0	0	110.1	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.3Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 2.99Å; F32-V49 PolarHBondContact O-N 2.99Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; V49-Y51 HydrophobicContact CB-CE2 4.18Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.89Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.36Å; V49-R59 HydrophobicContact CG1-CG 4.26Å
50	G	98.7	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.9	177.3	0	0	0	0	0	110.8	F57 V58	G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 3.09Å; G50-V58 PolarHBondContact N-O 3.5Å; G50-V58 PolarHBondContact O-N 2.8Å
51	Y	98.6	Very high	96.5	Very high	72 Å²	72	43.4 Å²	43.4	28%	0.282	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.3	178.4	-78.1	-104.3	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.45Å; R30-Y51 PolarHBondContact N-O 3.35Å; R30-Y51 PolarHBondContact O-N 3.06Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; V49-Y51 HydrophobicContact CB-CE2 4.18Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.89Å; Y51-T55 WeakPolarHBondContact CA-O 3.34Å; Y51-Q56 HydrophobicContact CD1-CB 4.12Å; Y51-Q56 HydrophobicContact CD2-CB 4.45Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.65Å; Y51-Q56 HydrophobicContact CE1-CG 4.4Å; Y51-Q56 HydrophobicContact CE2-CB 4.01Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.3	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.1	156.1	175.7	0	0	0	0	105.6	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.16Å; M29-V52 HydrophobicContact CG-CG2 4.26Å; V52-D54 PolarHBondContact O-N 2.86Å; V52-T55 PolarHBondContact N-O 3.5Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 2.8Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 3.95Å; V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.37Å; V52-W75 HydrophobicContact CG2-CH2 3.82Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.9Å; V52-Y195 HydrophobicContact CG2-CG 4.41Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.24Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.13Å
53	D	96.1	Very high	97.4	Very high	31 Å²	31	35.3 Å²	35.3	17%	0.166	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	-129.9	-166.5	-55.2	-45.8	0	0	0	110.8	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.21Å; H27-D53 IonicContact CE1-OD2 3.95Å; H27-D53 IonicContact CG-OD2 3.5Å; H27-D53 IonicContact ND1-OD2 2.76Å; H27-D53 PolarHBondContact ND1-OD2 2.84Å; S28-D53 PolarHBondContact N-OD1 3.21Å; S28-D53 PolarHBondContact O-N 3.4Å; S28-D53 PolarHBondContact OG-OD1 3Å; D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.95Å
54	D	95.9	Very high	97.7	Very high	62 Å²	62	31.8 Å²	31.8	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	6	178.7	-64.9	-57.7	0	0	0	114.1	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.86Å; D54-Y233 HydrophobicContact CB-CE2 4.1Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.43Å; D54-A235 PolarHBondContact OD2-N 2.85Å; D54-F265 HydrophobicContact CB-CE2 3.72Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	96.9	Very high	97.8	Very high	31 Å²	31	36 Å²	36	19%	0.19	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112	-174.4	-58.3	0	0	0	0	112.2	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.34Å; V52-T55 PolarHBondContact N-O 3.5Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 2.8Å; D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.95Å; T55-F57 PolarHBondContact O-N 2.84Å; T55-A73 HydrophobicContact CG2-CB 4.42Å; T55-L203 HydrophobicContact CG2-CD2 4.06Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.44Å; T55-Y233 PolarHBondContact OG1-OH 2.85Å
56	Q	97.8	Very high	97.7	Very high	50 Å²	50	36.7 Å²	36.7	23%	0.234	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	126.1	172.3	-165.9	-177.7	2.2	0	0	110.6	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; Y51-Q56 HydrophobicContact CD1-CB 4.12Å; Y51-Q56 HydrophobicContact CD2-CB 4.45Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.65Å; Y51-Q56 HydrophobicContact CE1-CG 4.4Å; Y51-Q56 HydrophobicContact CE2-CB 4.01Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.2Å; Q56-R72 HydrophobicContact CB-CB 4.5Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.58Å
57	F	98.1	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-24.3	179.6	76.8	-82.1	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.35Å; M29-F57 HydrophobicContact CG-CZ 4.47Å; M29-F57 HydrophobicContact SD-CZ 4.2Å; Y31-F57 HydrophobicContact CE1-CZ 4.28Å; Y31-F57 HydrophobicContact CE2-CZ 4.45Å; Y31-F57 AromaticContact CZ-CZ 3.83Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.44Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 3.09Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 3.95Å; T55-F57 PolarHBondContact O-N 2.84Å; F57-R72 PolarHBondContact O-N 2.03Å; F57-A73 HydrophobicContact CB-CB 4.1Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.42Å; F57-W75 VanDerWaalsContact CB-CZ2 3.42Å; F57-W75 HydrophobicContact CB-CZ3 3.85Å; F57-W75 HydrophobicContact CD1-CH2 4.01Å; F57-W75 AromaticContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CH2 3.77Å; F57-W75 AromaticContact CD2-CZ3 3.91Å; F57-W75 HydrophobicContact CD2-CZ3 3.91Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.15Å; F57-W75 HydrophobicContact CG-CZ3 4.02Å; F57-V76 HydrophobicContact CB-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CB 4.34Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.14Å; F57-V76 VanDerWaalsContact O-CG1 3.25Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; F57-Y195 HydrophobicContact CD2-CE2 4.33Å; F57-Y195 HydrophobicContact CE2-CD2 4.12Å; F57-Y195 HydrophobicContact CE2-CE1 4.48Å; F57-Y195 AromaticContact CE2-CE2 3.48Å; F57-Y195 HydrophobicContact CE2-CE2 3.48Å; F57-Y195 VanDerWaalsContact CE2-CE2 3.48Å; F57-Y195 AromaticContact CE2-CZ 3.7Å; F57-Y195 HydrophobicContact CZ-CD2 4.18Å; F57-Y195 AromaticContact CZ-CE2 3.65Å; F57-Y195 HydrophobicContact CZ-CE2 3.65Å
58	V	98.4	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.6	176.2	-73.8	0	0	0	0	113.4	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.97Å; V49-V58 WeakPolarHBondContact CA-O 3.36Å; G50-V58 PolarHBondContact N-O 3.5Å; G50-V58 PolarHBondContact O-N 2.8Å; Q56-V58 PolarHBondContact NE2-O 3.2Å; V58-E70 WeakPolarHBondContact CA-O 3.33Å; V58-W84 HydrophobicContact CG1-CH2 3.91Å; V58-W84 HydrophobicContact CG1-CZ3 3.88Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.29Å
59	R	98.4	Very high	97.5	Very high	79 Å²	79	43.7 Å²	43.7	30%	0.298	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.1	169.4	-179.5	174.1	174	133.6	2	111.1	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.57Å; S48-R59 WeakPolarHBondContact O-CA 3.01Å; V49-R59 HydrophobicContact CG1-CG 4.26Å; R59-D61 IonicContact CZ-OD2 3.79Å; R59-D61 IonicContact NE-OD2 2.75Å; R59-D61 IonicContact NH2-OD2 3.49Å; R59-D61 PolarHBondContact NH2-OD2 2.88Å; R59-E70 PolarHBondContact N-O 2.8Å; R59-E70 PolarHBondContact O-N 2.89Å; R59-R72 HydrophobicContact CB-CG 3.97Å
60	F	98.8	Very high	97.4	Very high	4 Å²	4	45 Å²	45	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146	161.6	-179.9	-85.5	0	0	0	109.5	F46 I47 S48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.84Å; F46-F60 HydrophobicContact CD1-CE1 3.84Å; F46-F60 AromaticContact CE1-CD1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 3.93Å; F46-F60 HydrophobicContact CE1-CE1 4.37Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å; S48-F60 PolarHBondContact N-O 2.82Å; S48-F60 PolarHBondContact O-N 3.1Å; F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.5Å; F60-Y91 HydrophobicContact CB-CD1 4.06Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE1 4.46Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.61Å; F60-Y91 HydrophobicContact CD1-CG 4.39Å; F60-Y91 VanDerWaalsContact CD2-CB 3.47Å; F60-Y91 AromaticContact CD2-CD2 3.59Å; F60-Y91 HydrophobicContact CD2-CD2 3.59Å; F60-Y91 AromaticContact CD2-CG 3.8Å; F60-Y91 HydrophobicContact CD2-CG 3.8Å; F60-Y91 VanDerWaalsContact CG-CB 3.48Å; F60-Y91 HydrophobicContact CG-CD1 4.47Å; F60-Y91 AromaticContact CG-CD2 3.81Å; F60-Y91 HydrophobicContact CG-CD2 3.81Å; F60-Y91 AromaticContact CG-CG 3.69Å; F60-Y91 HydrophobicContact CG-CG 3.69Å; F60-K92 HydrophobicContact CE2-CG 4.28Å; F60-K92 HydrophobicContact CZ-CG 4.04Å
61	D	98.6	Very high	97.4	Very high	16 Å²	16	47.2 Å²	47.2	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	119.9	176.4	-158.9	-34.5	0	0	0	109.6	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.24Å; R45-D61 IonicContact CZ-OD2 2.75Å; R45-D61 IonicContact NE-OD1 2.73Å; R45-D61 PolarHBondContact NE-OD1 2.77Å; R45-D61 IonicContact NE-OD2 3.51Å; R45-D61 VanDerWaalsContact NH2-CG 3.3Å; R45-D61 IonicContact NH2-OD1 3.11Å; R45-D61 PolarHBondContact NH2-OD1 2.95Å; R45-D61 VanDerWaalsContact NH2-OD1 3.12Å; R45-D61 IonicContact NH2-OD2 2.9Å; R45-D61 PolarHBondContact NH2-OD2 2.83Å; R59-D61 IonicContact CZ-OD2 3.79Å; R59-D61 IonicContact NE-OD2 2.75Å; R59-D61 IonicContact NH2-OD2 3.49Å; R59-D61 PolarHBondContact NH2-OD2 2.88Å; D61-D63 PolarHBondContact O-N 2.94Å; D61-D63 PolarHBondContact OD1-N 3.28Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.39Å; D61-A64 PolarHBondContact O-N 2.89Å
62	S	97.8	Very high	97.3	Very high	36 Å²	36	49.7 Å²	49.7	25%	0.252	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.6	-178.6	66.1	0	0	0	0	113.6	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.44Å; R45-S62 WeakPolarHBondContact CG-OG 3.39Å; F46-S62 PolarHBondContact N-OG 2.81Å; F46-S62 PolarHBondContact O-N 3.04Å; F46-S62 PolarHBondContact O-OG 2.91Å; S62-A64 VanDerWaalsContact C-N 3.28Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å
63	D	96.6	Very high	97.3	Very high	80 Å²	80	49.9 Å²	49.9	43%	0.428	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.5	-179.7	-71.3	9.9	0	0	0	112.1	R38 R45 D61	R38-D63 IonicContact CZ-OD2 2.77Å; R38-D63 IonicContact NH1-OD1 3.17Å; R38-D63 IonicContact NH1-OD2 3.62Å; R38-D63 PolarHBondContact NH1-OD2 3.11Å; R38-D63 IonicContact NH2-OD2 3.83Å; R38-D63 PolarHBondContact NH2-OD2 3.11Å; R45-D63 VanDerWaalsContact CD-OD2 3.24Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 WeakPolarHBondContact CG-OD1 3.5Å; R45-D63 IonicContact CZ-OD2 2.89Å; R45-D63 IonicContact NE-OD2 2.78Å; R45-D63 PolarHBondContact NE-OD2 2.83Å; D61-D63 PolarHBondContact O-N 2.94Å; D61-D63 PolarHBondContact OD1-N 3.28Å
64	A	96.6	Very high	97.3	Very high	35 Å²	35	53.2 Å²	53.2	29%	0.289	30%	0.298	S	S	.	.	S	Bend	trans	-65.3	148.2	175.8	0	0	0	0	0	111.4	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.39Å; D61-A64 PolarHBondContact O-N 2.89Å; S62-A64 VanDerWaalsContact C-N 3.28Å; A64-S66 PolarHBondContact O-N 2.87Å; A64-S66 VanDerWaalsContact O-N 3.11Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.3Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.23Å
65	A	95.8	Very high	97.3	Very high	118 Å²	118	51 Å²	51	98%	0.975	29%	0.285	S	S	*	.	S	Bend	trans	-61.5	-23.6	-179.8	0	0	0	0	0	113.8
66	S	95.5	Very high	97.3	Very high	81 Å²	81	49.5 Å²	49.5	57%	0.566	28%	0.276	S	S	*	.	S	Bend	trans	-140.5	90.4	169.4	-173.6	0	0	0	0	108.9	A64 R68	A64-S66 PolarHBondContact O-N 2.87Å; A64-S66 VanDerWaalsContact O-N 3.11Å; S66-R68 PolarHBondContact O-N 2.83Å; S66-R68 VanDerWaalsContact O-N 3.14Å
67	P	96.7	Very high	97.2	Very high	37 Å²	37	53 Å²	53	24%	0.24	29%	0.292	C	S	.	.			trans	-66.3	113.7	-174.5	-23.8	35.5	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.3Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.23Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å; P67-K92 PolarHBondContact O-NZ 3Å
68	R	97.7	Very high	97	Very high	152 Å²	152	59 Å²	59	57%	0.574	32%	0.32	S	S	*	.			trans	-147.6	162.7	177.4	62	-177.2	171.6	177.4	-0.6	110.1	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.5Å; S66-R68 PolarHBondContact O-N 2.83Å; S66-R68 VanDerWaalsContact O-N 3.14Å; R68-E70 HydrophobicContact CG-CG 4.4Å; R68-T88 WeakPolarHBondContact CA-OG1 3.23Å; R68-T88 HydrophobicContact CB-CG2 4.14Å
69	G	97.4	Very high	96.9	Very high	5 Å²	5	59.6 Å²	59.6	5%	0.052	32%	0.323	C	S	.	.			trans	-64.6	132.7	166.6	0	0	0	0	0	109.8	T88	G69-T88 PolarHBondContact N-OG1 3.27Å
70	E	97.8	Very high	96.8	Very high	56 Å²	56	57.5 Å²	57.5	26%	0.262	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.7	-180	-62.8	-179.5	151.1	0	0	110	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.33Å; R59-E70 PolarHBondContact N-O 2.8Å; R59-E70 PolarHBondContact O-N 2.89Å; R68-E70 HydrophobicContact CG-CG 4.4Å; E70-R72 IonicContact OE2-CZ 2.7Å; E70-R72 IonicContact OE2-NH2 3.66Å; E70-R72 PolarHBondContact OE2-NH2 3.43Å
71	P	97.9	Very high	96.7	Very high	47 Å²	47	62 Å²	62	31%	0.305	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	148.2	172.2	28.5	-34.4	0	0	0	111.2	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.86Å; P71-E77 HydrophobicContact CB-CG 3.66Å; P71-E77 HydrophobicContact CG-CG 3.91Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.89Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.31Å
72	R	97.4	Very high	96.7	Very high	123 Å²	123	69.3 Å²	69.3	46%	0.464	39%	0.389	S	S	.	.			trans	-131.1	-5	175.3	-60	-65.9	166.5	178.6	-3.4	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.5Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.58Å; F57-R72 PolarHBondContact O-N 2.03Å; R59-R72 HydrophobicContact CB-CG 3.97Å; E70-R72 IonicContact OE2-CZ 2.7Å; E70-R72 IonicContact OE2-NH2 3.66Å; E70-R72 PolarHBondContact OE2-NH2 3.43Å
73	A	96.2	Very high	96.7	Very high	5 Å²	5	68.1 Å²	68.1	4%	0.041	38%	0.379	C	S	.	.	S	Bend	trans	-134	143.3	171.4	0	0	0	0	0	110.7	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.42Å; F57-A73 HydrophobicContact CB-CB 4.1Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 3Å; A73-V76 VanDerWaalsContact O-CG1 3.28Å; A73-V76 WeakPolarHBondContact O-CG1 3.39Å; A73-V76 PolarHBondContact O-N 2.95Å
74	P	96.1	Very high	96.8	Very high	101 Å²	101	66.1 Å²	66.1	66%	0.656	37%	0.366	S	S	*	.	H	α-helix	trans	-58.8	-35.1	-176.1	-26.7	35.3	0	0	0	114.2	V76 E77	P74-V76 PolarHBondContact O-N 2.92Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.46Å
75	W	95.9	Very high	96.8	Very high	15 Å²	15	69.7 Å²	69.7	6%	0.057	38%	0.38	C	S	.	.	H	α-helix	trans	-70.7	-10.8	-176.2	53.9	-108.9	0	0	0	114.9	V52 F57 A73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.37Å; V52-W75 HydrophobicContact CG2-CH2 3.82Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.42Å; F57-W75 VanDerWaalsContact CB-CZ2 3.42Å; F57-W75 HydrophobicContact CB-CZ3 3.85Å; F57-W75 HydrophobicContact CD1-CH2 4.01Å; F57-W75 AromaticContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CH2 3.77Å; F57-W75 AromaticContact CD2-CZ3 3.91Å; F57-W75 HydrophobicContact CD2-CZ3 3.91Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.15Å; F57-W75 HydrophobicContact CG-CZ3 4.02Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 3Å; W75-Q78 WeakPolarHBondContact O-CG 3.3Å; W75-Y195 HydrophobicContact CE3-CD1 4.2Å; W75-Y195 HydrophobicContact CE3-CG 4.42Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.1Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.25Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.53Å; W75-Y195 HydrophobicContact CZ3-CG 3.53Å; W75-N198 HydrophobicContact CB-CB 4.36Å; W75-N198 WeakPolarHBondContact CB-O 3.34Å; W75-G199 VanDerWaalsContact CG-CA 3.46Å; W75-T202 PolarHBondContact NE1-OG1 3.21Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.73Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å
76	V	97.3	Very high	96.9	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-97.2	-16.3	170	72.4	0	0	0	0	112.3	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CB 4.34Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.14Å; F57-V76 VanDerWaalsContact O-CG1 3.25Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; P71-V76 HydrophobicContact CB-CG1 3.86Å; A73-V76 VanDerWaalsContact O-CG1 3.28Å; A73-V76 WeakPolarHBondContact O-CG1 3.39Å; A73-V76 PolarHBondContact O-N 2.95Å; P74-V76 PolarHBondContact O-N 2.92Å; V76-Q78 PolarHBondContact O-N 2.82Å; V76-E79 HydrophobicContact CG2-CB 4.49Å; V76-E79 HydrophobicContact CG2-CG 3.84Å; V76-E79 WeakPolarHBondContact O-CB 3.33Å; V76-E79 WeakPolarHBondContact O-CG 3.48Å; V76-E79 PolarHBondContact O-N 3.36Å; V76-Y83 HydrophobicContact CG2-CE1 3.96Å; V76-W84 HydrophobicContact CG1-CH2 4.04Å; V76-W84 HydrophobicContact CG1-CZ2 4.27Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 3.97Å; V76-W84 WeakPolarHBondContact O-CZ2 3.44Å; V76-Y195 HydrophobicContact CG2-CE1 4.34Å
77	E	95.6	Very high	97	Very high	123 Å²	123	66 Å²	66	58%	0.575	33%	0.329	S	S	*	.	H	α-helix	trans	-62.6	-25.5	179.1	-63.8	-176.3	-175.9	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.66Å; P71-E77 HydrophobicContact CG-CG 3.91Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.46Å; E77-E79 PolarHBondContact O-N 3.33Å
78	Q	94.6	Very high	97.1	Very high	126 Å²	126	64.8 Å²	64.8	59%	0.589	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.7	174.4	67.3	179.3	18.8	0	0	114.5	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.3Å; V76-Q78 PolarHBondContact O-N 2.82Å; Q78-N198 PolarHBondContact NE2-ND2 2.04Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.14Å; Q78-N198 PolarHBondContact NE2-OD1 2.85Å
79	E	96.9	Very high	97.1	Very high	13 Å²	13	62.8 Å²	62.8	6%	0.061	32%	0.318	C	S	.	.	S	Bend	trans	-68.9	136.4	175.6	-66.9	-61.7	162.4	0	0	111.4	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.49Å; V76-E79 HydrophobicContact CG2-CG 3.84Å; V76-E79 WeakPolarHBondContact O-CB 3.33Å; V76-E79 WeakPolarHBondContact O-CG 3.48Å; V76-E79 PolarHBondContact O-N 3.36Å; E77-E79 PolarHBondContact O-N 3.33Å; E79-Y83 HydrophobicContact CB-CD1 3.43Å; E79-Y83 VanDerWaalsContact CB-CD1 3.43Å; E79-Y83 HydrophobicContact CB-CE1 4.01Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.26Å; E79-W84 VanDerWaalsContact O-CD1 3.28Å; E79-W84 PolarHBondContact O-NE1 3Å; E79-R194 VanDerWaalsContact CD-NH2 3.33Å; E79-R194 IonicContact OE1-CZ 3.66Å; E79-R194 IonicContact OE1-NE 3.88Å; E79-R194 PolarHBondContact OE1-NE 3.19Å; E79-R194 IonicContact OE1-NH2 3.76Å; E79-R194 PolarHBondContact OE1-NH2 3.39Å; E79-R194 VanDerWaalsContact OE1-NH2 3.17Å; E79-R194 IonicContact OE2-CZ 3.16Å; E79-R194 IonicContact OE2-NE 3.46Å; E79-R194 PolarHBondContact OE2-NE 3.18Å; E79-R194 IonicContact OE2-NH2 3.94Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; E79-N198 PolarHBondContact OE1-ND2 3.36Å; E79-N198 VanDerWaalsContact OE1-ND2 3.17Å
80	G	96.3	Very high	97.1	Very high	34 Å²	34	64.8 Å²	64.8	35%	0.351	33%	0.328	S	S	.	.			trans	-69.3	167.6	-172.9	0	0	0	0	0	114.5	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.87Å; G80-Y83 WeakPolarHBondContact O-CB 3.38Å; G80-Y83 PolarHBondContact O-N 3.08Å; G80-W84 PolarHBondContact O-N 3.34Å
81	P	97.1	Very high	97.2	Very high	100 Å²	100	62.4 Å²	62.4	65%	0.649	32%	0.316	S	S	*	.	H	α-helix	trans	-57.6	-35	-178.6	23.3	-33.8	0	0	0	113	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.39Å; P81-W84 PolarHBondContact O-N 3.28Å; P81-W84 VanDerWaalsContact O-N 3.17Å; P81-D85 WeakPolarHBondContact O-CB 3.13Å; P81-D85 PolarHBondContact O-N 2.97Å
82	E	97.6	Very high	97.2	Very high	169 Å²	169	64 Å²	64	79%	0.79	32%	0.318	S	S	*	.	H	α-helix	trans	-59.6	-35.1	176.9	-61.8	-177.6	176.3	0	0	113.1	G80 R86	G80-E82 PolarHBondContact O-N 2.87Å; E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 3.05Å
83	Y	97.6	Very high	97.2	Very high	10 Å²	10	66 Å²	66	4%	0.039	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-52	173.8	166.8	-94.8	0	0	0	110.2	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 3.96Å; E79-Y83 HydrophobicContact CB-CD1 3.43Å; E79-Y83 VanDerWaalsContact CB-CD1 3.43Å; E79-Y83 HydrophobicContact CB-CE1 4.01Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.26Å; G80-Y83 WeakPolarHBondContact O-CB 3.38Å; G80-Y83 PolarHBondContact O-N 3.08Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.39Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.08Å; Y83-R86 PolarHBondContact O-N 2.96Å; Y83-E87 HydrophobicContact CD2-CG 4.01Å; Y83-E87 HydrophobicContact CE1-CG 4.22Å; Y83-E87 HydrophobicContact CE2-CG 3.59Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.48Å; Y83-E87 PolarHBondContact O-N 3.01Å; Y83-W191 AromaticContact CD2-CH2 3.64Å; Y83-W191 HydrophobicContact CD2-CH2 3.64Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.3Å; Y83-W191 HydrophobicContact CE2-CH2 4.13Å; Y83-W191 AromaticContact CE2-CZ3 3.89Å; Y83-W191 HydrophobicContact CE2-CZ3 3.89Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.21Å; Y83-Y195 PolarHBondContact OH-OH 3.42Å
84	W	98.1	Very high	97.3	Very high	39 Å²	39	67.9 Å²	67.9	15%	0.148	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-37.4	-178.1	-67.5	110.4	0	0	0	113.4	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.91Å; V58-W84 HydrophobicContact CG1-CZ3 3.88Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.89Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.31Å; V76-W84 HydrophobicContact CG1-CH2 4.04Å; V76-W84 HydrophobicContact CG1-CZ2 4.27Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 3.97Å; V76-W84 WeakPolarHBondContact O-CZ2 3.44Å; E79-W84 VanDerWaalsContact O-CD1 3.28Å; E79-W84 PolarHBondContact O-NE1 3Å; G80-W84 PolarHBondContact O-N 3.34Å; P81-W84 PolarHBondContact O-N 3.28Å; P81-W84 VanDerWaalsContact O-N 3.17Å; W84-T88 WeakPolarHBondContact O-CB 3.44Å; W84-T88 PolarHBondContact O-N 2.99Å; W84-T88 PolarHBondContact O-OG1 3.27Å
85	D	98.1	Very high	97.4	Very high	109 Å²	109	64 Å²	64	58%	0.583	31%	0.311	S	S	*	.	H	α-helix	trans	-66.5	-46.7	173.8	-78.3	-26.1	0	0	0	111	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.13Å; P81-D85 PolarHBondContact O-N 2.97Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.08Å; D85-T88 PolarHBondContact O-N 3.42Å; D85-Q89 WeakPolarHBondContact O-CG 3.18Å; D85-Q89 PolarHBondContact O-N 2.89Å
86	R	97.6	Very high	97.5	Very high	104 Å²	104	68 Å²	68	39%	0.392	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-49	178	-172.5	-173.1	70.5	-150	-2.4	111.8	E82 Y83 T88 Q89 N90	E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 3.05Å; Y83-R86 PolarHBondContact O-N 2.96Å; R86-T88 PolarHBondContact O-N 2.97Å; R86-Q89 PolarHBondContact O-N 2.86Å; R86-Q89 VanDerWaalsContact O-N 3.17Å; R86-N90 VanDerWaalsContact O-CG 3.23Å; R86-N90 PolarHBondContact O-N 2.84Å; R86-N90 PolarHBondContact O-OD1 2.91Å
87	E	97.8	Very high	97.5	Very high	19 Å²	19	70.2 Å²	70.2	9%	0.089	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-38.1	178.9	-60.9	-38	127.1	0	0	111.7	Y83 Q89 N90 Y91	Y83-E87 HydrophobicContact CD2-CG 4.01Å; Y83-E87 HydrophobicContact CE1-CG 4.22Å; Y83-E87 HydrophobicContact CE2-CG 3.59Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.48Å; Y83-E87 PolarHBondContact O-N 3.01Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 3.44Å; E87-N90 WeakPolarHBondContact O-CA 3.36Å; E87-N90 WeakPolarHBondContact O-CB 3.44Å; E87-N90 PolarHBondContact O-N 3.24Å; E87-N90 PolarHBondContact OE1-ND2 2.85Å; E87-N90 PolarHBondContact OE2-ND2 3.33Å; E87-Y91 HydrophobicContact CB-CE2 3.95Å; E87-Y91 WeakPolarHBondContact O-CD2 3.12Å; E87-Y91 PolarHBondContact O-N 3.45Å
88	T	98.4	Very high	97.5	Very high	11 Å²	11	64.8 Å²	64.8	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-40.1	171.5	-66	0	0	0	0	112.4	R68 G69 W84 D85 R86 K92	R68-T88 WeakPolarHBondContact CA-OG1 3.23Å; R68-T88 HydrophobicContact CB-CG2 4.14Å; G69-T88 PolarHBondContact N-OG1 3.27Å; W84-T88 WeakPolarHBondContact O-CB 3.44Å; W84-T88 PolarHBondContact O-N 2.99Å; W84-T88 PolarHBondContact O-OG1 3.27Å; D85-T88 PolarHBondContact O-N 3.42Å; R86-T88 PolarHBondContact O-N 2.97Å; T88-K92 HydrophobicContact CG2-CD 4.07Å; T88-K92 WeakPolarHBondContact O-CB 3.38Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.38Å; T88-K92 PolarHBondContact O-N 3.42Å; T88-K92 VanDerWaalsContact O-N 3.11Å
89	Q	98.3	Very high	97.6	Very high	110 Å²	110	62 Å²	62	51%	0.514	31%	0.307	S	S	.	.	H	α-helix	trans	-72.5	-31.9	174.5	-64.8	-61.9	-17	0	0	112.5	D85 R86 E87 R93	D85-Q89 WeakPolarHBondContact O-CG 3.18Å; D85-Q89 PolarHBondContact O-N 2.89Å; R86-Q89 PolarHBondContact O-N 2.86Å; R86-Q89 VanDerWaalsContact O-N 3.17Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 3.44Å; Q89-R93 WeakPolarHBondContact O-CB 3.47Å; Q89-R93 VanDerWaalsContact O-CG 3.28Å; Q89-R93 WeakPolarHBondContact O-CG 3.35Å; Q89-R93 PolarHBondContact O-N 3.34Å
90	N	97.6	Very high	97.6	Very high	47 Å²	47	64.7 Å²	64.7	25%	0.251	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-53.1	172.4	-66.7	-19.2	0	0	0	110.7	R86 E87 K92 R93 Q94	R86-N90 VanDerWaalsContact O-CG 3.23Å; R86-N90 PolarHBondContact O-N 2.84Å; R86-N90 PolarHBondContact O-OD1 2.91Å; E87-N90 WeakPolarHBondContact O-CA 3.36Å; E87-N90 WeakPolarHBondContact O-CB 3.44Å; E87-N90 PolarHBondContact O-N 3.24Å; E87-N90 PolarHBondContact OE1-ND2 2.85Å; E87-N90 PolarHBondContact OE2-ND2 3.33Å; N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 2.7Å; N90-R93 PolarHBondContact O-N 2.69Å; N90-R93 VanDerWaalsContact O-N 3.15Å; N90-R93 PolarHBondContact OD1-NH2 3.3Å; N90-Q94 PolarHBondContact O-N 2.92Å
91	Y	98.4	Very high	97.7	Very high	5 Å²	5	65 Å²	65	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-59.1	-41.8	177.5	-59.6	-52	0	0	0	112.5	F46 S48 V58 F60 E87 R93 Q94 A95	F46-Y91 HydrophobicContact CE1-CD1 4.47Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.48Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.29Å; F60-Y91 HydrophobicContact CB-CD1 4.06Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE1 4.46Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.61Å; F60-Y91 HydrophobicContact CD1-CG 4.39Å; F60-Y91 VanDerWaalsContact CD2-CB 3.47Å; F60-Y91 AromaticContact CD2-CD2 3.59Å; F60-Y91 HydrophobicContact CD2-CD2 3.59Å; F60-Y91 AromaticContact CD2-CG 3.8Å; F60-Y91 HydrophobicContact CD2-CG 3.8Å; F60-Y91 VanDerWaalsContact CG-CB 3.48Å; F60-Y91 HydrophobicContact CG-CD1 4.47Å; F60-Y91 AromaticContact CG-CD2 3.81Å; F60-Y91 HydrophobicContact CG-CD2 3.81Å; F60-Y91 AromaticContact CG-CG 3.69Å; F60-Y91 HydrophobicContact CG-CG 3.69Å; E87-Y91 HydrophobicContact CB-CE2 3.95Å; E87-Y91 WeakPolarHBondContact O-CD2 3.12Å; E87-Y91 PolarHBondContact O-N 3.45Å; Y91-R93 PolarHBondContact O-N 3.29Å; Y91-Q94 PolarHBondContact O-N 3.47Å; Y91-A95 WeakPolarHBondContact O-CB 3.37Å; Y91-A95 PolarHBondContact O-N 3.47Å
92	K	98.2	Very high	97.7	Very high	81 Å²	81	60.6 Å²	60.6	35%	0.352	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-36.4	176.8	-75.4	172.3	-178.4	169.6	0	112.9	F60 P67 T88 N90 Q96	F60-K92 HydrophobicContact CE2-CG 4.28Å; F60-K92 HydrophobicContact CZ-CG 4.04Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å; P67-K92 PolarHBondContact O-NZ 3Å; T88-K92 HydrophobicContact CG2-CD 4.07Å; T88-K92 WeakPolarHBondContact O-CB 3.38Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.38Å; T88-K92 PolarHBondContact O-N 3.42Å; T88-K92 VanDerWaalsContact O-N 3.11Å; N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 2.7Å; K92-Q96 WeakPolarHBondContact O-CG 3.38Å; K92-Q96 PolarHBondContact O-N 2.92Å
93	R	98.1	Very high	97.5	Very high	164 Å²	164	58.8 Å²	58.8	62%	0.619	28%	0.278	S	S	*	.	H	α-helix	trans	-68.8	-43.7	173.7	-73.9	-173.9	-64.2	167.2	-0.5	111.6	Q89 N90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.47Å; Q89-R93 VanDerWaalsContact O-CG 3.28Å; Q89-R93 WeakPolarHBondContact O-CG 3.35Å; Q89-R93 PolarHBondContact O-N 3.34Å; N90-R93 PolarHBondContact O-N 2.69Å; N90-R93 VanDerWaalsContact O-N 3.15Å; N90-R93 PolarHBondContact OD1-NH2 3.3Å; Y91-R93 PolarHBondContact O-N 3.29Å; R93-Q96 PolarHBondContact O-N 3.3Å; R93-A97 PolarHBondContact O-N 2.87Å
94	Q	98.1	Very high	97.5	Very high	45 Å²	45	61.7 Å²	61.7	21%	0.21	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-45.4	177.1	-170.3	61.9	43.3	0	0	111.5	F46 N90 Y91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 4.18Å; F46-Q94 HydrophobicContact CE2-CG 3.66Å; F46-Q94 HydrophobicContact CZ-CB 3.87Å; F46-Q94 HydrophobicContact CZ-CG 3.68Å; N90-Q94 PolarHBondContact O-N 2.92Å; Y91-Q94 PolarHBondContact O-N 3.47Å; Q94-Q96 VanDerWaalsContact C-N 3.29Å; Q94-Q96 PolarHBondContact O-N 2.91Å; Q94-A97 WeakPolarHBondContact O-CA 3.34Å; Q94-A97 WeakPolarHBondContact O-CB 3.34Å; Q94-A97 PolarHBondContact O-N 2.95Å; Q94-D98 PolarHBondContact NE2-OD1 3.38Å; Q94-D98 PolarHBondContact NE2-OD2 3.37Å; Q94-D98 PolarHBondContact O-N 3.01Å
95	A	98	Very high	97.4	Very high	21 Å²	21	60.2 Å²	60.2	17%	0.174	29%	0.289	C	S	.	.	H	α-helix	trans	-56	-40.4	176.1	0	0	0	0	0	113.2	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.6Å; F46-A95 HydrophobicContact CD1-CB 3.72Å; F46-A95 HydrophobicContact CD2-CB 4.14Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CG-CB 3.55Å; Y91-A95 WeakPolarHBondContact O-CB 3.37Å; Y91-A95 PolarHBondContact O-N 3.47Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 2.95Å
96	Q	97.5	Very high	97.3	Very high	99 Å²	99	58 Å²	58	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-71.1	-38.6	175.3	-69.8	-65.3	-15.8	0	0	112.3	K92 R93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.38Å; K92-Q96 PolarHBondContact O-N 2.92Å; R93-Q96 PolarHBondContact O-N 3.3Å; Q94-Q96 VanDerWaalsContact C-N 3.29Å; Q94-Q96 PolarHBondContact O-N 2.91Å; Q96-R99 PolarHBondContact O-N 3.48Å; Q96-V100 WeakPolarHBondContact O-CG2 3.4Å; Q96-V100 PolarHBondContact O-N 3.5Å
97	A	96.9	Very high	97.3	Very high	45 Å²	45	55.1 Å²	55.1	37%	0.372	28%	0.275	S	S	.	.	H	α-helix	trans	-61.2	-48.5	174.2	0	0	0	0	0	111	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 2.87Å; Q94-A97 WeakPolarHBondContact O-CA 3.34Å; Q94-A97 WeakPolarHBondContact O-CB 3.34Å; Q94-A97 PolarHBondContact O-N 2.95Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 3.44Å; A97-V100 CarbonylContact O-C 3.57Å; A97-V100 WeakPolarHBondContact O-CA 3.33Å; A97-V100 WeakPolarHBondContact O-CB 3.36Å; A97-V100 PolarHBondContact O-N 3.42Å; A97-S101 PolarHBondContact O-N 2.93Å; A97-S101 PolarHBondContact O-OG 3.38Å
98	D	97.6	Very high	97.2	Very high	9 Å²	9	56.8 Å²	56.8	5%	0.048	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-35	-179.8	-69.6	-12.9	0	0	0	112.5	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.6Å; F46-D98 VanDerWaalsContact CE2-OD2 3.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.28Å; Q94-D98 PolarHBondContact NE2-OD1 3.38Å; Q94-D98 PolarHBondContact NE2-OD2 3.37Å; Q94-D98 PolarHBondContact O-N 3.01Å; D98-V100 VanDerWaalsContact C-N 3.25Å; D98-V100 PolarHBondContact O-N 3.41Å; D98-S101 PolarHBondContact O-N 2.89Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 WeakPolarHBondContact O-CG 3.02Å; D98-L102 PolarHBondContact O-N 3.48Å; D98-L119 HydrophobicContact CB-CD2 4.1Å
99	R	96.3	Very high	97.2	Very high	69 Å²	69	59.5 Å²	59.5	26%	0.26	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-31.4	170.3	-176.1	-169.4	175.6	174.6	13.4	112.8	E43 A95 Q96 A97 R103	E43-R99 VanDerWaalsContact CD-NH2 3.27Å; E43-R99 IonicContact OE1-CZ 3.95Å; E43-R99 IonicContact OE1-NH1 2.7Å; E43-R99 PolarHBondContact OE1-NH1 3.31Å; E43-R99 IonicContact OE1-NH2 2.85Å; E43-R99 PolarHBondContact OE1-NH2 2.93Å; E43-R99 IonicContact OE2-CZ 3.44Å; E43-R99 IonicContact OE2-NH1 2.79Å; E43-R99 PolarHBondContact OE2-NH1 2.91Å; E43-R99 IonicContact OE2-NH2 3.16Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 2.95Å; Q96-R99 PolarHBondContact O-N 3.48Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 3.44Å; R99-R103 PolarHBondContact O-NE 2.93Å
100	V	96.4	Very high	97.1	Very high	68 Å²	68	61.4 Å²	61.4	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-76.5	-43.7	171.9	173.5	0	0	0	0	110.1	Q96 A97 D98 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.4Å; Q96-V100 PolarHBondContact O-N 3.5Å; A97-V100 CarbonylContact O-C 3.57Å; A97-V100 WeakPolarHBondContact O-CA 3.33Å; A97-V100 WeakPolarHBondContact O-CB 3.36Å; A97-V100 PolarHBondContact O-N 3.42Å; D98-V100 VanDerWaalsContact C-N 3.25Å; D98-V100 PolarHBondContact O-N 3.41Å; V100-R103 PolarHBondContact O-N 3.28Å; V100-N104 PolarHBondContact O-N 2.87Å; V100-N104 PolarHBondContact O-ND2 3.34Å
101	S	97.3	Very high	97	Very high	42 Å²	42	62.1 Å²	62.1	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-49.1	176.7	-61.4	0	0	0	0	112.4	A97 D98 R103 N104 L105 L119	A97-S101 PolarHBondContact O-N 2.93Å; A97-S101 PolarHBondContact O-OG 3.38Å; D98-S101 PolarHBondContact O-N 2.89Å; S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 3.31Å; S101-N104 WeakPolarHBondContact O-CB 2.99Å; S101-N104 PolarHBondContact O-N 3.23Å; S101-L105 WeakPolarHBondContact O-CB 3.49Å; S101-L105 WeakPolarHBondContact O-CG 3.48Å; S101-L105 PolarHBondContact O-N 2.85Å; S101-L119 VanDerWaalsContact CB-CD2 3.49Å
102	L	97.4	Very high	96.8	Very high	7 Å²	7	65.5 Å²	65.5	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-54.1	-40.5	175.8	-76.6	167.7	0	0	0	112.5	A35 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.85Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 WeakPolarHBondContact O-CG 3.02Å; D98-L102 PolarHBondContact O-N 3.48Å; L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 2.71Å; L102-R106 VanDerWaalsContact O-N 3.14Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L102-Y142 HydrophobicContact CD2-CE2 4.05Å
103	R	94.8	Very high	96.3	Very high	130 Å²	130	67.9 Å²	67.9	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-69.7	-39.3	176.3	-76	178.9	-76.6	168.7	-5.1	112.4	R99 V100 S101 G107	R99-R103 PolarHBondContact O-NE 2.93Å; V100-R103 PolarHBondContact O-N 3.28Å; S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 3.31Å; R103-G107 PolarHBondContact O-N 2.66Å
104	N	96.2	Very high	95.9	Very high	72 Å²	72	66.9 Å²	66.9	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-67.7	-45.7	177	-68.2	-26.6	0	0	0	111.8	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 2.87Å; V100-N104 PolarHBondContact O-ND2 3.34Å; S101-N104 WeakPolarHBondContact O-CB 2.99Å; S101-N104 PolarHBondContact O-N 3.23Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.25Å; N104-G107 PolarHBondContact O-N 2.86Å; N104-G107 VanDerWaalsContact O-N 3.11Å; N104-Y108 WeakPolarHBondContact O-CD1 3.45Å; N104-Y108 PolarHBondContact O-N 3.05Å
105	L	97.5	Very high	95.6	Very high	7 Å²	7	65.5 Å²	65.5	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-60.8	-49.2	179.9	-69	165.3	0	0	0	111	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.49Å; S101-L105 WeakPolarHBondContact O-CG 3.48Å; S101-L105 PolarHBondContact O-N 2.85Å; L105-G107 PolarHBondContact O-N 3.33Å; L105-G107 VanDerWaalsContact O-N 3.16Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 3.16Å; L105-Y109 HydrophobicContact CD2-CE2 4.32Å; L105-Y109 VanDerWaalsContact O-CD2 3.28Å; L105-Y109 WeakPolarHBondContact O-CD2 3.46Å; L105-Y109 PolarHBondContact O-N 3.46Å; L105-L119 HydrophobicContact CD1-CD1 3.95Å; L105-L119 HydrophobicContact CD1-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CD1 4.32Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.93Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.06Å; L105-Y147 HydrophobicContact CD2-CE1 3.74Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å
106	R	95.8	Very high	95.6	Very high	63 Å²	63	68.3 Å²	68.3	24%	0.238	37%	0.366	C	S	.	.	H	α-helix	trans	-51.7	-39.7	173	-169.8	-169.4	67.4	166.9	9.8	112.1	L102 N110 Q111 S112 E113 Y142	L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 2.71Å; L102-R106 VanDerWaalsContact O-N 3.14Å; R106-N110 PolarHBondContact O-N 3.23Å; R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 PolarHBondContact O-N 2.99Å; R106-S112 WeakPolarHBondContact CD-O 3.38Å; R106-E113 IonicContact CZ-OE1 2.76Å; R106-E113 IonicContact NH1-OE1 3.38Å; R106-E113 PolarHBondContact NH1-OE1 2.72Å; R106-E113 IonicContact NH2-OE1 3.62Å; R106-E113 PolarHBondContact NH2-OE1 2.76Å; R106-Y142 PolarHBondContact N-OH 3.18Å
107	G	95.9	Very high	95.6	Very high	44 Å²	44	64.3 Å²	64.3	45%	0.454	35%	0.347	S	S	.	.	H	α-helix	trans	-68.4	-45.7	174.2	0	0	0	0	0	113.7	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.66Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.25Å; N104-G107 PolarHBondContact O-N 2.86Å; N104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 3.33Å; L105-G107 VanDerWaalsContact O-N 3.16Å; G107-Y109 VanDerWaalsContact C-N 3.3Å; G107-Y109 PolarHBondContact O-N 3.5Å; G107-N110 PolarHBondContact O-N 3.45Å
108	Y	97.6	Very high	95.7	Very high	54 Å²	54	64 Å²	64	21%	0.212	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-36.8	178.8	-62.8	-11	0	0	0	112.5	N104 L105 A163 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.45Å; N104-Y108 PolarHBondContact O-N 3.05Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 3.16Å; Y108-A163 HydrophobicContact CD2-CB 4.46Å; Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.07Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; Y108-K170 PolarHBondContact OH-NZ 2.83Å
109	Y	97.4	Very high	95.7	Very high	68 Å²	68	64 Å²	64	27%	0.267	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2	178.1	-69.2	-70.2	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.32Å; L105-Y109 VanDerWaalsContact O-CD2 3.28Å; L105-Y109 WeakPolarHBondContact O-CD2 3.46Å; L105-Y109 PolarHBondContact O-N 3.46Å; G107-Y109 VanDerWaalsContact C-N 3.3Å; G107-Y109 PolarHBondContact O-N 3.5Å; Y109-Q111 PolarHBondContact O-N 3.26Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Y109-Y147 HydrophobicContact CE2-CD2 4.3Å; Y109-Y147 HydrophobicContact CE2-CE2 4.01Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.33Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 3.33Å; Y109-D161 PolarHBondContact OH-OD2 3.19Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CE1-CB 3.67Å; Y109-A163 HydrophobicContact CE2-CB 4Å
110	N	96.3	Very high	95.8	Very high	150 Å²	150	64.5 Å²	64.5	80%	0.802	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	38	-177.7	-54.5	-76.5	0	0	0	113.6	R106 G107	R106-N110 PolarHBondContact O-N 3.23Å; G107-N110 PolarHBondContact O-N 3.45Å
111	Q	96.3	Very high	95.9	Very high	61 Å²	61	63.1 Å²	63.1	29%	0.285	33%	0.334	S	S	.	.			trans	-83.7	154.5	-177.9	-70	164.1	-42.2	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 PolarHBondContact O-N 2.99Å; Y109-Q111 PolarHBondContact O-N 3.26Å; Q111-H117 PolarHBondContact NE2-CE1 2.82Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; Q111-Y142 PolarHBondContact OE1-OH 3.05Å; Q111-D143 PolarHBondContact NE2-OD2 2.8Å
112	S	93.4	Very high	96	Very high	76 Å²	76	62.3 Å²	62.3	53%	0.531	33%	0.325	S	S	.	.			trans	-72	158.2	-178.5	60.2	0	0	0	0	113.1	R106 D114 G115	R106-S112 WeakPolarHBondContact CD-O 3.38Å; S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact O-N 2.88Å; S112-G115 PolarHBondContact O-N 3.46Å
113	E	88.4	Confident	96.1	Very high	131 Å²	131	63.5 Å²	63.5	61%	0.612	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.3	-179.6	-60.9	-140.3	102.3	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; R106-E113 IonicContact CZ-OE1 2.76Å; R106-E113 IonicContact NH1-OE1 3.38Å; R106-E113 PolarHBondContact NH1-OE1 2.72Å; R106-E113 IonicContact NH2-OE1 3.62Å; R106-E113 PolarHBondContact NH2-OE1 2.76Å; E113-G115 PolarHBondContact O-N 2.91Å
114	D	89.3	Confident	96.2	Very high	143 Å²	143	57.3 Å²	57.3	77%	0.765	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.1	-179.6	-53.1	-56.7	0	0	0	113.3	S112	S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact O-N 2.88Å
115	G	91.9	Very high	96.3	Very high	16 Å²	16	53.9 Å²	53.9	17%	0.165	29%	0.288	C	S	.	.			trans	-71.1	125.2	177.9	0	0	0	0	0	113.5	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 2.48Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.28Å; S112-G115 PolarHBondContact O-N 3.46Å; E113-G115 PolarHBondContact O-N 2.91Å; G115-H117 PolarHBondContact O-CD2 3.36Å
116	S	96.4	Very high	96.4	Very high	80 Å²	80	54.6 Å²	54.6	56%	0.559	29%	0.292	S	S	*	.			trans	-78.9	123.5	163.7	-174.6	0	0	0	0	108.6	S37	S37-S116 PolarHBondContact O-OG 2.86Å; S37-S116 VanDerWaalsContact O-OG 3.05Å
117	H	97.9	Very high	96.4	Very high	15 Å²	15	51.8 Å²	51.8	7%	0.069	28%	0.282	C	S	.	.			trans	-126.4	151.4	-175.9	-65.7	-72.2	0	0	0	111.1	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.49Å; S37-H117 PolarHBondContact N-O 3.38Å; S37-H117 PolarHBondContact OG-N 2.91Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; Q111-H117 PolarHBondContact NE2-CE1 2.82Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; G115-H117 PolarHBondContact O-CD2 3.36Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.38Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.99Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 2.65Å; H117-D143 IonicContact CG-OD1 3.39Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 3.21Å; H117-D143 PolarHBondContact ND1-OD1 2.87Å; H117-D143 IonicContact ND1-OD2 3.49Å; H117-D143 PolarHBondContact ND1-OD2 3.1Å
118	T	98.5	Very high	96.3	Very high	39 Å²	39	50.1 Å²	50.1	24%	0.239	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127	-175.8	-55	0	0	0	0	110.6	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.16Å; A35-T118 WeakPolarHBondContact O-CA 3.37Å; V36-T118 HydrophobicContact CG2-CG2 4.19Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.17Å; T118-Y142 VanDerWaalsContact O-CD2 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 2.99Å; T118-D143 PolarHBondContact N-OD1 2.77Å; T118-D143 PolarHBondContact O-N 3Å
119	L	98.7	Very high	95.8	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.4	170.3	173.5	61.6	0	0	0	107.7	T34 A35 D98 S101 L102 L105	T34-L119 WeakPolarHBondContact CA-O 3.39Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3Å; A35-L119 PolarHBondContact O-N 3.33Å; D98-L119 HydrophobicContact CB-CD2 4.1Å; S101-L119 VanDerWaalsContact CB-CD2 3.49Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L105-L119 HydrophobicContact CD1-CD1 3.95Å; L105-L119 HydrophobicContact CD1-CD2 4.19Å
120	Q	98.8	Very high	95.4	Very high	80 Å²	80	53 Å²	53	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146	177.2	-62.3	173.8	-92.7	0	0	109	D33 T34 T118 S140 A141	D33-Q120 WeakPolarHBondContact O-CA 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; Q120-S140 CarbonylContact O-C 3.56Å; Q120-S140 WeakPolarHBondContact O-CA 3.35Å; Q120-A141 HydrophobicContact CB-CB 4.47Å; Q120-A141 PolarHBondContact N-O 2.98Å; Q120-A141 PolarHBondContact O-N 3.21Å
121	R	98.6	Very high	95	Very high	39 Å²	39	46.9 Å²	46.9	15%	0.147	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.8	173.5	178.5	-179.1	172.2	-126.6	-0	109.7	F32 D33 Y123 D138 Q139	F32-R121 WeakPolarHBondContact CA-O 3.31Å; D33-R121 HydrophobicContact CB-CB 4.27Å; D33-R121 PolarHBondContact N-O 3.17Å; D33-R121 PolarHBondContact O-N 3.43Å; D33-R121 IonicContact OD2-NH1 3.35Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; R121-D138 IonicContact CZ-OD1 3.47Å; R121-D138 IonicContact NE-OD1 3.85Å; R121-D138 PolarHBondContact NE-OD1 3.39Å; R121-D138 IonicContact NH2-OD1 2.71Å; R121-D138 PolarHBondContact NH2-OD1 2.85Å; R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.31Å
122	M	98.7	Very high	94.9	Very high	25 Å²	25	52 Å²	52	12%	0.123	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.8	168.7	-174	-78.6	-74	0	0	108.3	Y31 F32 Y137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.39Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 3.99Å; M122-Y137 HydrophobicContact CE-CD1 3.98Å; M122-Y137 HydrophobicContact CE-CG 4.11Å; M122-Q139 HydrophobicContact CB-CG 4.12Å; M122-Q139 HydrophobicContact CE-CG 3.98Å; M122-Q139 PolarHBondContact N-O 2.84Å; M122-Q139 PolarHBondContact O-N 2.76Å
123	Y	98.6	Very high	95	Very high	33 Å²	33	50.8 Å²	50.8	13%	0.129	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.7	173.5	68.6	-85.8	0	0	0	110.7	Y31 D33 R121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.49Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CG-CE1 4.32Å; Y31-Y123 AromaticContact CG-CE2 3.97Å; Y31-Y123 HydrophobicContact CG-CE2 3.97Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.06Å; Y31-Y123 PolarHBondContact O-N 3.34Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å; D33-Y123 WeakPolarHBondContact OD2-CE1 3.43Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; Y123-Y137 WeakPolarHBondContact CA-O 3.41Å; Y123-Y137 WeakPolarHBondContact CB-O 3.38Å; Y123-Y183 AromaticContact CD2-CE1 3.98Å; Y123-Y183 HydrophobicContact CD2-CE1 3.98Å; Y123-Y183 HydrophobicContact CE2-CE1 4.1Å
124	G	98.5	Very high	95.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.7	-178.4	-175.3	0	0	0	0	0	114.4	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; G124-Y137 PolarHBondContact N-O 2.89Å; G124-Y137 PolarHBondContact O-N 2.85Å; G124-L184 WeakPolarHBondContact O-CD2 3.5Å
125	C	98.4	Very high	95.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.1	-177.9	53.3	0	0	0	0	111.2	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.41Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 3.46Å; C125-L133 HydrophobicContact CB-CD1 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.24Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.23Å; C125-C188 PolarHBondContact N-SG 3.25Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.41Å
126	D	97.9	Very high	96	Very high	22 Å²	22	47.4 Å²	47.4	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.1	172.1	-60.7	-4	0	0	0	108.9	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.5Å; H27-D126 WeakPolarHBondContact O-CA 3.41Å; S28-D126 VanDerWaalsContact CB-OD1 3.24Å; S28-D126 WeakPolarHBondContact CB-OD1 3.24Å; R30-D126 IonicContact CZ-OD1 3.47Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 3.39Å; R30-D126 IonicContact NE-OD1 2.87Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 IonicContact NH2-OD1 2.9Å; R30-D126 PolarHBondContact NH2-OD1 3.41Å; R30-D126 IonicContact NH2-OD2 2.79Å; R30-D126 PolarHBondContact NH2-OD2 3.47Å; D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 3.42Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.49Å; D126-R135 PolarHBondContact O-N 2.8Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.47Å; D126-Y137 PolarHBondContact OD2-OH 3.03Å
127	L	96.6	Very high	96.1	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.2	173.9	-55.4	-176.9	0	0	0	110.3	S26 H27 R132 V189 L192 R193 L196	S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.4Å; S26-L127 WeakPolarHBondContact CB-O 3.35Å; H27-L127 PolarHBondContact N-O 3.01Å; H27-L127 PolarHBondContact O-N 3.42Å; L127-R132 CarbonylContact C-O 3.52Å; L127-R132 WeakPolarHBondContact CA-O 3.38Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.82Å; L127-L192 HydrophobicContact CD1-CB 4.35Å; L127-L192 HydrophobicContact CD1-CD2 3.77Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CD2-CD2 4.45Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.19Å; L127-R193 HydrophobicContact CD1-CG 3.91Å; L127-L196 HydrophobicContact CD1-CD1 4.46Å
128	G	93.1	Very high	96.1	Very high	9 Å²	9	45.3 Å²	45.3	9%	0.093	23%	0.225	C	C	.	.			trans	-70.5	173.9	163.7	0	0	0	0	0	111.8	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.66Å; G128-G131 WeakPolarHBondContact O-CA 3.3Å; G128-G131 PolarHBondContact O-N 2.85Å; G128-R132 PolarHBondContact N-O 3.05Å
129	P	88.4	Confident	96.1	Very high	87 Å²	87	47.1 Å²	47.1	57%	0.565	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.9	-178.8	-18.2	30.9	0	0	0	113.8	A24 G131	A24-P129 HydrophobicContact CB-CB 3.69Å; A24-P129 HydrophobicContact CB-CG 3.27Å; A24-P129 WeakPolarHBondContact O-CG 3.33Å; P129-G131 PolarHBondContact O-N 2.82Å
130	D	88.1	Confident	96.1	Very high	96 Å²	96	47.8 Å²	47.8	51%	0.513	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	5.2	171.4	75.3	-17.6	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.66Å; D130-R132 PolarHBondContact O-N 3.14Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.21Å; D130-R132 PolarHBondContact OD1-N 2.87Å; D130-R132 WeakPolarHBondContact OD2-CD 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.44Å; D130-R132 IonicContact OD2-CZ 3.99Å; D130-R132 IonicContact OD2-NE 2.71Å; D130-R132 PolarHBondContact OD2-NE 3.34Å; D130-R132 IonicContact OD2-NH1 3.55Å; D130-R132 PolarHBondContact OD2-NH1 2.9Å
131	G	88.3	Confident	96.1	Very high	21 Å²	21	44.7 Å²	44.7	22%	0.216	22%	0.224	C	C	.	.	S	Bend	trans	70.7	10.2	-178.9	0	0	0	0	0	114.3	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.3Å; G128-G131 PolarHBondContact O-N 2.85Å; P129-G131 PolarHBondContact O-N 2.82Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 2.93Å; G131-R193 PolarHBondContact O-NH2 3.11Å
132	R	93.4	Very high	96.2	Very high	168 Å²	168	43.3 Å²	43.3	63%	0.634	22%	0.219	S	C	*	.	S	Bend	trans	-90.9	157	178	-60.6	-173.5	-174.5	146.8	-6.3	111.6	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.52Å; L127-R132 WeakPolarHBondContact CA-O 3.38Å; G128-R132 PolarHBondContact N-O 3.05Å; D130-R132 PolarHBondContact O-N 3.14Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.21Å; D130-R132 PolarHBondContact OD1-N 2.87Å; D130-R132 WeakPolarHBondContact OD2-CD 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.44Å; D130-R132 IonicContact OD2-CZ 3.99Å; D130-R132 IonicContact OD2-NE 2.71Å; D130-R132 PolarHBondContact OD2-NE 3.34Å; D130-R132 IonicContact OD2-NH1 3.55Å; D130-R132 PolarHBondContact OD2-NH1 2.9Å; R132-L134 PolarHBondContact O-N 3.43Å; R132-L134 VanDerWaalsContact O-N 3.09Å
133	L	96.6	Very high	96.1	Very high	50 Å²	50	45.1 Å²	45.1	26%	0.262	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	116.6	173.7	-174.9	73.6	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.54Å; L133-R135 VanDerWaalsContact CD1-O 3.27Å; L133-R135 WeakPolarHBondContact CD1-O 3.3Å; L133-L154 HydrophobicContact CD2-CD1 4.1Å; L133-E185 HydrophobicContact CD2-CB 4.44Å; L133-E185 HydrophobicContact CD2-CG 3.73Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 4.06Å
134	L	96.3	Very high	96.1	Very high	122 Å²	122	46.4 Å²	46.4	64%	0.639	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	-44.8	169.4	179.1	62.7	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 3.42Å; R132-L134 PolarHBondContact O-N 3.43Å; R132-L134 VanDerWaalsContact O-N 3.09Å
135	R	96.6	Very high	96.1	Very high	93 Å²	93	54 Å²	54	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	144.4	-177.5	-172.1	162.1	170.6	138	9.5	112	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.24Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.49Å; D126-R135 PolarHBondContact O-N 2.8Å; L133-R135 VanDerWaalsContact CD1-O 3.27Å; L133-R135 WeakPolarHBondContact CD1-O 3.3Å; R135-Y137 HydrophobicContact CB-CE2 4.03Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.43Å; R135-Y137 HydrophobicContact CG-CD2 4.34Å; R135-Y137 HydrophobicContact CG-CE1 4.23Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 VanDerWaalsContact NE-CE1 3.32Å; R135-Y137 PolarHBondContact NE-OH 3.46Å; R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 IonicContact CZ-OE1 2.71Å; R135-E152 IonicContact NH1-OE1 3.6Å; R135-E152 PolarHBondContact NH1-OE1 2.9Å; R135-E152 IonicContact NH1-OE2 2.66Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 3.74Å; R135-E152 PolarHBondContact NH2-OE1 3.4Å
136	G	98	Very high	96.1	Very high	5 Å²	5	59.9 Å²	59.9	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.4	170	0	0	0	0	0	111.2
137	Y	98.3	Very high	96.1	Very high	39 Å²	39	59.2 Å²	59.2	15%	0.153	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.3	-177.7	-56.9	-98.9	0	0	0	110.9	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.43Å; M122-Y137 HydrophobicContact CE-CD1 3.98Å; M122-Y137 HydrophobicContact CE-CG 4.11Å; Y123-Y137 WeakPolarHBondContact CA-O 3.41Å; Y123-Y137 WeakPolarHBondContact CB-O 3.38Å; G124-Y137 PolarHBondContact N-O 2.89Å; G124-Y137 PolarHBondContact O-N 2.85Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.47Å; D126-Y137 PolarHBondContact OD2-OH 3.03Å; R135-Y137 HydrophobicContact CB-CE2 4.03Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.43Å; R135-Y137 HydrophobicContact CG-CD2 4.34Å; R135-Y137 HydrophobicContact CG-CE1 4.23Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 VanDerWaalsContact NE-CE1 3.32Å; R135-Y137 PolarHBondContact NE-OH 3.46Å
138	D	98.5	Very high	96.2	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.059	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	108.7	160.4	-177.1	71.7	0	0	0	107.4	R121 L150 L180	R121-D138 IonicContact CZ-OD1 3.47Å; R121-D138 IonicContact NE-OD1 3.85Å; R121-D138 PolarHBondContact NE-OD1 3.39Å; R121-D138 IonicContact NH2-OD1 2.71Å; R121-D138 PolarHBondContact NH2-OD1 2.85Å; D138-L150 HydrophobicContact CB-CB 3.95Å; D138-L150 HydrophobicContact CB-CD2 4.14Å; D138-L150 WeakPolarHBondContact O-CB 3.22Å; D138-L150 PolarHBondContact O-N 3.22Å; D138-L180 HydrophobicContact CB-CD1 4.25Å
139	Q	98.6	Very high	96.5	Very high	77 Å²	77	60.6 Å²	60.6	36%	0.36	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.7	-177.3	61.8	-173.7	76.4	0	0	110.9	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.31Å; M122-Q139 HydrophobicContact CB-CG 4.12Å; M122-Q139 HydrophobicContact CE-CG 3.98Å; M122-Q139 PolarHBondContact N-O 2.84Å; M122-Q139 PolarHBondContact O-N 2.76Å; Q139-I148 WeakPolarHBondContact CA-O 3.43Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140	S	98.7	Very high	97	Very high	22 Å²	22	57.1 Å²	57.1	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.4	-179.8	-57.9	0	0	0	0	111.6	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.56Å; Q120-S140 WeakPolarHBondContact O-CA 3.35Å; S140-Y147 WeakPolarHBondContact O-CA 3.1Å; S140-Y147 WeakPolarHBondContact O-CB 3.49Å; S140-Y147 PolarHBondContact O-N 2.84Å; S140-I148 PolarHBondContact N-O 3.46Å; S140-I148 PolarHBondContact O-N 2.82Å
141	A	98.8	Very high	97.5	Very high	15 Å²	15	54.6 Å²	54.6	12%	0.124	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.1	176.9	0	0	0	0	0	110.6	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.47Å; Q120-A141 PolarHBondContact N-O 2.98Å; Q120-A141 PolarHBondContact O-N 3.21Å; A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.44Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.31Å
142	Y	98.7	Very high	97.9	Very high	11 Å²	11	60 Å²	60	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.6	177.9	-173.5	-120.8	0	0	0	110.4	L102 L105 R106 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.05Å; L105-Y142 HydrophobicContact CB-CD1 4.32Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.93Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; R106-Y142 PolarHBondContact N-OH 3.18Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Q111-Y142 PolarHBondContact OE1-OH 3.05Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.38Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.99Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.17Å; T118-Y142 VanDerWaalsContact O-CD2 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 2.99Å; Y142-G144 PolarHBondContact O-N 3.49Å; Y142-G144 VanDerWaalsContact O-N 3.15Å; Y142-K145 PolarHBondContact N-O 3.31Å; Y142-K145 PolarHBondContact O-N 3.07Å
143	D	98.1	Very high	98.1	Very high	63 Å²	63	55.5 Å²	55.5	34%	0.337	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	40.9	-173.9	-65.7	-22.8	0	0	0	113.3	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 2.8Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 2.65Å; H117-D143 IonicContact CG-OD1 3.39Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 3.21Å; H117-D143 PolarHBondContact ND1-OD1 2.87Å; H117-D143 IonicContact ND1-OD2 3.49Å; H117-D143 PolarHBondContact ND1-OD2 3.1Å; T118-D143 PolarHBondContact N-OD1 2.77Å; T118-D143 PolarHBondContact O-N 3Å
144	G	97.3	Very high	98.1	Very high	59 Å²	59	53.5 Å²	53.5	61%	0.608	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	12.6	177.9	0	0	0	0	0	115.5	Y142	Y142-G144 PolarHBondContact O-N 3.49Å; Y142-G144 VanDerWaalsContact O-N 3.15Å
145	K	98.4	Very high	98.2	Very high	160 Å²	160	55.7 Å²	55.7	70%	0.696	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.1	177	-62.3	178.4	-177.4	176.4	0	111	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.44Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.31Å; Y142-K145 PolarHBondContact N-O 3.31Å; Y142-K145 PolarHBondContact O-N 3.07Å; K145-Y147 PolarHBondContact O-N 3.38Å
146	D	98.6	Very high	98.3	Very high	124 Å²	124	53.2 Å²	53.2	66%	0.663	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.7	135.7	174.2	-64.5	-27.2	0	0	0	111	A160	D146-A160 HydrophobicContact CB-CB 4.33Å; D146-A160 WeakPolarHBondContact O-CB 3.49Å
147	Y	98.8	Very high	98.3	Very high	8 Å²	8	53.6 Å²	53.6	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-60.6	178.4	-179.9	-106.5	0	0	0	110.2	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.06Å; L105-Y147 HydrophobicContact CD2-CE1 3.74Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.3Å; Y109-Y147 HydrophobicContact CE2-CE2 4.01Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.33Å; S140-Y147 WeakPolarHBondContact O-CA 3.1Å; S140-Y147 WeakPolarHBondContact O-CB 3.49Å; S140-Y147 PolarHBondContact O-N 2.84Å; K145-Y147 PolarHBondContact O-N 3.38Å; Y147-A160 WeakPolarHBondContact O-CB 3.27Å; Y147-A160 PolarHBondContact O-N 3.04Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 3.01Å; Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.74Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.42Å; Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.14Å; Y147-T167 PolarHBondContact OH-OG1 2.74Å
148	I	98.7	Very high	98.3	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.056	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	142.4	179.8	-160.6	169.1	0	0	0	111.1	Q139 S140 W157 T158 T167 Q168 L171	Q139-I148 WeakPolarHBondContact CA-O 3.43Å; S140-I148 PolarHBondContact N-O 3.46Å; S140-I148 PolarHBondContact O-N 2.82Å; I148-W157 HydrophobicContact CD1-CB 4.42Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CG1-CB 4.48Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.22Å; I148-T158 WeakPolarHBondContact CG1-O 3.36Å; I148-T167 HydrophobicContact CD1-CG2 4.01Å; I148-Q168 HydrophobicContact CD1-CB 3.95Å; I148-L171 HydrophobicContact CD1-CD1 3.8Å
149	A	98.8	Very high	98.3	Very high	30 Å²	30	56 Å²	56	25%	0.248	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.2	176.4	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 CarbonylContact O-C 3.54Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; A149-T158 PolarHBondContact N-O 3.3Å; A149-T158 PolarHBondContact O-N 3.02Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	55.3 Å²	55.3	7%	0.073	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.7	166	-176.1	68.2	0	0	0	108.5	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 3.95Å; D138-L150 HydrophobicContact CB-CD2 4.14Å; D138-L150 WeakPolarHBondContact O-CB 3.22Å; D138-L150 PolarHBondContact O-N 3.22Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.32Å; L150-W157 HydrophobicContact CB-CE3 4.11Å; L150-W157 HydrophobicContact CB-CH2 4.25Å; L150-W157 HydrophobicContact CB-CZ3 3.82Å; L150-W157 HydrophobicContact CD1-CD2 4.26Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.14Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.33Å; L150-A177 HydrophobicContact CD1-CB 3.9Å; L150-L180 HydrophobicContact CD2-CB 4.22Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å
151	N	98.5	Very high	98.3	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	32%	0.315	C	S	.	.			trans	-75.6	163.6	-179.6	-66.6	-26	0	0	0	111.6	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.94Å; N151-L154 PolarHBondContact O-N 2.94Å; N151-S156 WeakPolarHBondContact CB-O 3.3Å; N151-S156 WeakPolarHBondContact CB-OG 3.28Å; N151-S156 PolarHBondContact N-O 2.6Å; N151-S156 PolarHBondContact ND2-OG 2.79Å; N151-T158 PolarHBondContact ND2-OG1 3.21Å; N151-T158 WeakPolarHBondContact OD1-CB 3.1Å; N151-T158 PolarHBondContact OD1-N 3.41Å; N151-T158 PolarHBondContact OD1-OG1 3.39Å
152	E	97.4	Very high	98.3	Very high	135 Å²	135	61.4 Å²	61.4	63%	0.631	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20	-178.9	-63.4	178	-162.3	0	0	113.9	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 IonicContact CZ-OE1 2.71Å; R135-E152 IonicContact NH1-OE1 3.6Å; R135-E152 PolarHBondContact NH1-OE1 2.9Å; R135-E152 IonicContact NH1-OE2 2.66Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 3.74Å; R135-E152 PolarHBondContact NH2-OE1 3.4Å; E152-L154 PolarHBondContact O-N 3.17Å
153	D	97.3	Very high	98.2	Very high	74 Å²	74	61.2 Å²	61.2	40%	0.396	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-8.1	173.8	70.9	0.4	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.94Å; D153-R155 WeakPolarHBondContact O-CD 3.31Å; D153-R155 VanDerWaalsContact O-CG 3.28Å; D153-R155 WeakPolarHBondContact O-CG 3.33Å; D153-R155 PolarHBondContact O-N 3.33Å; D153-R155 PolarHBondContact OD1-N 2.89Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.83Å; D153-S156 PolarHBondContact OD1-OG 3.02Å; D153-S156 VanDerWaalsContact OD1-OG 3.14Å; D153-S156 WeakPolarHBondContact OD2-CB 3.4Å; D153-S156 PolarHBondContact OD2-OG 3.15Å
154	L	97.8	Very high	98.2	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.042	33%	0.326	C	S	.	.	S	Bend	trans	52.1	30.4	-173.8	-53.9	-178.3	0	0	0	113.4	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.1Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.32Å; N151-L154 PolarHBondContact O-N 2.94Å; E152-L154 PolarHBondContact O-N 3.17Å; L154-R181 HydrophobicContact CB-CB 4.01Å; L154-R181 HydrophobicContact CB-CG 3.76Å; L154-R181 HydrophobicContact CD1-CG 4.13Å; L154-R181 WeakPolarHBondContact O-CD 3.44Å; L154-L184 HydrophobicContact CD1-CB 4.45Å; L154-L184 HydrophobicContact CD2-CD1 3.94Å; L154-E185 HydrophobicContact CD1-CG 4.22Å
155	R	97.5	Very high	98.3	Very high	167 Å²	167	59 Å²	59	63%	0.63	31%	0.314	S	S	*	.	S	Bend	trans	-137.3	-34.9	-173.1	-70.1	161.2	-174.8	-98.8	7.7	113.2	D153 A177	D153-R155 WeakPolarHBondContact O-CD 3.31Å; D153-R155 VanDerWaalsContact O-CG 3.28Å; D153-R155 WeakPolarHBondContact O-CG 3.33Å; D153-R155 PolarHBondContact O-N 3.33Å; D153-R155 PolarHBondContact OD1-N 2.89Å; R155-A177 WeakPolarHBondContact O-CB 3.46Å
156	S	97.9	Very high	98.3	Very high	42 Å²	42	54.2 Å²	54.2	29%	0.294	30%	0.295	S	S	.	.			trans	-113	165.4	-177.7	63.8	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.3Å; N151-S156 WeakPolarHBondContact CB-OG 3.28Å; N151-S156 PolarHBondContact N-O 2.6Å; N151-S156 PolarHBondContact ND2-OG 2.79Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.83Å; D153-S156 PolarHBondContact OD1-OG 3.02Å; D153-S156 VanDerWaalsContact OD1-OG 3.14Å; D153-S156 WeakPolarHBondContact OD2-CB 3.4Å; D153-S156 PolarHBondContact OD2-OG 3.15Å
157	W	98.7	Very high	98.3	Very high	13 Å²	13	49.7 Å²	49.7	5%	0.049	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144	-175.5	-61.8	92.1	0	0	0	110.9	I148 A149 L150 Q168 L171 A176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.42Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CG1-CB 4.48Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 CarbonylContact O-C 3.54Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; L150-W157 HydrophobicContact CB-CE3 4.11Å; L150-W157 HydrophobicContact CB-CH2 4.25Å; L150-W157 HydrophobicContact CB-CZ3 3.82Å; L150-W157 HydrophobicContact CD1-CD2 4.26Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.14Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.33Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 3.05Å; W157-L171 HydrophobicContact CD2-CD1 3.99Å; W157-L171 HydrophobicContact CE3-CD1 4.02Å; W157-L171 HydrophobicContact CH2-CD1 3.8Å; W157-L171 HydrophobicContact CZ2-CB 4.13Å; W157-L171 HydrophobicContact CZ2-CD1 3.78Å; W157-L171 HydrophobicContact CZ2-CG 4.4Å; W157-L171 HydrophobicContact CZ3-CD1 3.93Å; W157-A176 HydrophobicContact CZ2-CB 4.28Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; W157-L180 HydrophobicContact CH2-CD1 3.42Å; W157-L180 VanDerWaalsContact CH2-CD1 3.42Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å
158	T	98.7	Very high	98.2	Very high	79 Å²	79	51.3 Å²	51.3	49%	0.485	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.2	165.5	-66.5	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.22Å; I148-T158 WeakPolarHBondContact CG1-O 3.36Å; A149-T158 PolarHBondContact N-O 3.3Å; A149-T158 PolarHBondContact O-N 3.02Å; N151-T158 PolarHBondContact ND2-OG1 3.21Å; N151-T158 WeakPolarHBondContact OD1-CB 3.1Å; N151-T158 PolarHBondContact OD1-N 3.41Å; N151-T158 PolarHBondContact OD1-OG1 3.39Å
159	A	98.7	Very high	98.2	Very high	22 Å²	22	57.9 Å²	57.9	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.5	174.7	0	0	0	0	0	110.1	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 4.04Å; A159-Q168 HydrophobicContact CB-CB 4.37Å
160	A	98.5	Very high	98.2	Very high	61 Å²	61	62 Å²	62	50%	0.504	32%	0.317	S	S	.	.	S	Bend	trans	-72.7	-30.7	-175.8	0	0	0	0	0	113.5	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.33Å; D146-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 WeakPolarHBondContact O-CB 3.27Å; Y147-A160 PolarHBondContact O-N 3.04Å
161	D	98.3	Very high	98.2	Very high	53 Å²	53	63.3 Å²	63.3	28%	0.283	32%	0.323	S	S	.	.	S	Bend	trans	-148.8	-174.1	-178.9	70.1	28.7	0	0	0	113.7	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 3.33Å; Y109-D161 PolarHBondContact OH-OD2 3.19Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.71Å; D161-A163 WeakPolarHBondContact OD1-CA 3.33Å; D161-A163 WeakPolarHBondContact OD1-CB 3.39Å; D161-A163 PolarHBondContact OD1-N 2.76Å; D161-A164 PolarHBondContact O-N 3.35Å; D161-A164 PolarHBondContact OD1-N 3.2Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.88Å; D161-Q165 VanDerWaalsContact O-N 3.07Å
162	T	98.1	Very high	98.1	Very high	112 Å²	112	65.6 Å²	65.6	69%	0.687	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.4	-179.4	50.3	0	0	0	0	114.5
163	A	97.8	Very high	98.2	Very high	7 Å²	7	63.4 Å²	63.4	6%	0.058	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-42.9	172.9	0	0	0	0	0	110.1	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CE1-CB 3.67Å; Y109-A163 HydrophobicContact CE2-CB 4Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 3.01Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.71Å; D161-A163 WeakPolarHBondContact OD1-CA 3.33Å; D161-A163 WeakPolarHBondContact OD1-CB 3.39Å; D161-A163 PolarHBondContact OD1-N 2.76Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.85Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.38Å
164	A	98.4	Very high	98.2	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-58.1	-36.4	173.3	0	0	0	0	0	113	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.74Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.42Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 PolarHBondContact O-N 3.35Å; D161-A164 PolarHBondContact OD1-N 3.2Å; A164-I166 PolarHBondContact O-N 3.09Å; A164-T167 CarbonylContact O-C 3.57Å; A164-T167 WeakPolarHBondContact O-CA 3.22Å; A164-T167 WeakPolarHBondContact O-CB 3.24Å; A164-T167 PolarHBondContact O-N 2.81Å; A164-Q168 PolarHBondContact O-N 2.75Å
165	Q	98.6	Very high	98.2	Very high	75 Å²	75	70 Å²	70	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-58.6	-26.2	172.4	-73	175.3	19.6	0	0	113.6	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.04Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.88Å; D161-Q165 VanDerWaalsContact O-N 3.07Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.85Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 3.19Å
166	I	98.1	Very high	98.2	Very high	60 Å²	60	62.8 Å²	62.8	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-70	-40.9	174	-53.5	172.4	0	0	0	110	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CB 4.47Å; Y108-I166 HydrophobicContact CD2-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.07Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.38Å; A164-I166 PolarHBondContact O-N 3.09Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 2.85Å
167	T	98.1	Very high	98.2	Very high	30 Å²	30	61.1 Å²	61.1	18%	0.184	34%	0.336	C	S	.	.	H	α-helix	trans	-67.9	-45.2	173.3	-70.5	0	0	0	0	111.3	Y147 I148 A164 R169 K170 L171	Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.14Å; Y147-T167 PolarHBondContact OH-OG1 2.74Å; I148-T167 HydrophobicContact CD1-CG2 4.01Å; A164-T167 CarbonylContact O-C 3.57Å; A164-T167 WeakPolarHBondContact O-CA 3.22Å; A164-T167 WeakPolarHBondContact O-CB 3.24Å; A164-T167 PolarHBondContact O-N 2.81Å; T167-R169 PolarHBondContact O-N 2.8Å; T167-K170 WeakPolarHBondContact O-CA 3.24Å; T167-K170 WeakPolarHBondContact O-CB 3.4Å; T167-K170 PolarHBondContact O-N 3.22Å; T167-L171 HydrophobicContact CG2-CD1 3.74Å; T167-L171 HydrophobicContact CG2-CG 4.01Å; T167-L171 WeakPolarHBondContact O-CG 3.28Å; T167-L171 PolarHBondContact O-N 2.89Å
168	Q	98.6	Very high	98.1	Very high	41 Å²	41	66 Å²	66	19%	0.192	36%	0.359	C	S	.	.	H	α-helix	trans	-50.6	-53.9	177.6	174	172.9	6.8	0	0	111.9	I148 W157 A159 A164 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 3.95Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 3.05Å; A159-Q168 HydrophobicContact CB-CB 4.37Å; A164-Q168 PolarHBondContact O-N 2.75Å; Q168-K170 PolarHBondContact O-N 3.06Å; Q168-L171 PolarHBondContact O-N 2.87Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.48Å; Q168-E172 PolarHBondContact NE2-OE1 2.7Å; Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 2.9Å
169	R	98.6	Very high	98	Very high	149 Å²	149	69.2 Å²	69.2	56%	0.562	37%	0.369	S	S	*	.	H	α-helix	trans	-59	-32.9	179.5	-67	168.9	-163.3	148.5	11	112.9	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.42Å; Q165-R169 PolarHBondContact O-N 3.19Å; T167-R169 PolarHBondContact O-N 2.8Å; R169-A173 VanDerWaalsContact O-CB 3.24Å; R169-A173 WeakPolarHBondContact O-CB 3.31Å; R169-A173 PolarHBondContact O-N 3.05Å
170	K	97.8	Very high	97.9	Very high	117 Å²	117	69.8 Å²	69.8	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-71.5	-42.3	175.3	-71	176	176.8	-176	0	111.7	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.83Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CA 3.24Å; T167-K170 WeakPolarHBondContact O-CB 3.4Å; T167-K170 PolarHBondContact O-N 3.22Å; Q168-K170 PolarHBondContact O-N 3.06Å; K170-A174 VanDerWaalsContact O-CB 3.24Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 2.88Å
171	L	97.9	Very high	97.9	Very high	41 Å²	41	70.4 Å²	70.4	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-66.8	-40.3	177.4	-65.7	174.8	0	0	0	111.9	I148 W157 T167 Q168 A174 R175 A176	I148-L171 HydrophobicContact CD1-CD1 3.8Å; W157-L171 HydrophobicContact CD2-CD1 3.99Å; W157-L171 HydrophobicContact CE3-CD1 4.02Å; W157-L171 HydrophobicContact CH2-CD1 3.8Å; W157-L171 HydrophobicContact CZ2-CB 4.13Å; W157-L171 HydrophobicContact CZ2-CD1 3.78Å; W157-L171 HydrophobicContact CZ2-CG 4.4Å; W157-L171 HydrophobicContact CZ3-CD1 3.93Å; T167-L171 HydrophobicContact CG2-CD1 3.74Å; T167-L171 HydrophobicContact CG2-CG 4.01Å; T167-L171 WeakPolarHBondContact O-CG 3.28Å; T167-L171 PolarHBondContact O-N 2.89Å; Q168-L171 PolarHBondContact O-N 2.87Å; L171-A174 CarbonylContact O-C 3.59Å; L171-A174 PolarHBondContact O-N 3.2Å; L171-R175 WeakPolarHBondContact O-CA 3.47Å; L171-R175 PolarHBondContact O-N 3.47Å; L171-A176 HydrophobicContact CB-CB 4.05Å; L171-A176 HydrophobicContact CD2-CB 3.65Å; L171-A176 HydrophobicContact CG-CB 4.43Å; L171-A176 PolarHBondContact O-N 3.18Å
172	E	98.3	Very high	97.9	Very high	91 Å²	91	70.9 Å²	70.9	43%	0.425	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-49.2	174.3	-71.2	168.5	170.8	0	0	111.4	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.48Å; Q168-E172 PolarHBondContact NE2-OE1 2.7Å; Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 2.9Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.04Å; E172-R175 PolarHBondContact O-N 2.86Å
173	A	98.2	Very high	97.9	Very high	89 Å²	89	68.6 Å²	68.6	74%	0.736	35%	0.348	S	S	*	.	H	α-helix	trans	-61.8	-34.3	176.8	0	0	0	0	0	113	R169 R175	R169-A173 VanDerWaalsContact O-CB 3.24Å; R169-A173 WeakPolarHBondContact O-CB 3.31Å; R169-A173 PolarHBondContact O-N 3.05Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	97.5	Very high	97.9	Very high	66 Å²	66	68.3 Å²	68.3	55%	0.545	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.9	175.2	0	0	0	0	0	114.1	K170 L171 E172 A176	K170-A174 VanDerWaalsContact O-CB 3.24Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 2.88Å; L171-A174 CarbonylContact O-C 3.59Å; L171-A174 PolarHBondContact O-N 3.2Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.04Å; A174-A176 PolarHBondContact O-N 3.35Å
175	R	97.4	Very high	97.9	Very high	155 Å²	155	72.4 Å²	72.4	59%	0.585	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	35.1	-173.5	-58.7	172.5	168.3	-128.8	-0.5	113.9	L171 E172 A173 A177 E178	L171-R175 WeakPolarHBondContact O-CA 3.47Å; L171-R175 PolarHBondContact O-N 3.47Å; E172-R175 PolarHBondContact O-N 2.86Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.02Å; R175-A177 VanDerWaalsContact O-N 3.11Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 IonicContact CZ-OE1 3.11Å; R175-E178 IonicContact NE-OE1 2.71Å; R175-E178 IonicContact NH1-OE1 3.06Å; R175-E178 PolarHBondContact NH1-OE1 3.37Å; R175-E178 IonicContact NH1-OE2 3.73Å; R175-E178 PolarHBondContact NH1-OE2 2.73Å; R175-E178 WeakPolarHBondContact O-CB 3.5Å; R175-E178 PolarHBondContact O-N 2.99Å
176	A	97.4	Very high	97.8	Very high	15 Å²	15	69.9 Å²	69.9	12%	0.124	36%	0.359	C	S	.	.	H	α-helix	trans	-57.5	-31.4	-174.1	0	0	0	0	0	113.4	W157 L171 A174 E178 Q179 L180	W157-A176 HydrophobicContact CZ2-CB 4.28Å; L171-A176 HydrophobicContact CB-CB 4.05Å; L171-A176 HydrophobicContact CD2-CB 3.65Å; L171-A176 HydrophobicContact CG-CB 4.43Å; L171-A176 PolarHBondContact O-N 3.18Å; A174-A176 PolarHBondContact O-N 3.35Å; A176-E178 VanDerWaalsContact C-N 3.31Å; A176-E178 PolarHBondContact O-N 2.87Å; A176-Q179 PolarHBondContact O-N 2.78Å; A176-L180 PolarHBondContact O-N 2.78Å
177	A	97.9	Very high	97.8	Very high	8 Å²	8	69.8 Å²	69.8	7%	0.066	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-34.7	174.9	0	0	0	0	0	112.9	L150 R155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.9Å; R155-A177 WeakPolarHBondContact O-CB 3.46Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; R175-A177 PolarHBondContact O-N 3.02Å; R175-A177 VanDerWaalsContact O-N 3.11Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 2.93Å; A177-L180 PolarHBondContact O-N 2.83Å; A177-R181 WeakPolarHBondContact O-CB 3.3Å; A177-R181 PolarHBondContact O-N 2.85Å
178	E	97.5	Very high	97.8	Very high	115 Å²	115	68.3 Å²	68.3	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-38	176.5	-63.5	178.3	-176	0	0	111.1	R175 A176 A182	R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 IonicContact CZ-OE1 3.11Å; R175-E178 IonicContact NE-OE1 2.71Å; R175-E178 IonicContact NH1-OE1 3.06Å; R175-E178 PolarHBondContact NH1-OE1 3.37Å; R175-E178 IonicContact NH1-OE2 3.73Å; R175-E178 PolarHBondContact NH1-OE2 2.73Å; R175-E178 WeakPolarHBondContact O-CB 3.5Å; R175-E178 PolarHBondContact O-N 2.99Å; A176-E178 VanDerWaalsContact C-N 3.31Å; A176-E178 PolarHBondContact O-N 2.87Å; E178-A182 PolarHBondContact O-N 3.38Å
179	Q	96.1	Very high	97.8	Very high	147 Å²	147	66.7 Å²	66.7	69%	0.687	35%	0.345	S	S	*	.	H	α-helix	trans	-73.9	-45.5	178.7	-62	-178.9	-3.3	0	0	112.2	A176 A177 A182 Y183	A176-Q179 PolarHBondContact O-N 2.78Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 2.93Å; Q179-A182 PolarHBondContact O-N 3Å; Q179-Y183 PolarHBondContact O-N 2.95Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180	L	97.3	Very high	97.7	Very high	33 Å²	33	65.4 Å²	65.4	17%	0.173	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-42.7	176.8	-73.1	167.2	0	0	0	111.1	D138 L150 W157 A176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.25Å; L150-L180 HydrophobicContact CD2-CB 4.22Å; W157-L180 HydrophobicContact CH2-CD1 3.42Å; W157-L180 VanDerWaalsContact CH2-CD1 3.42Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å; A176-L180 PolarHBondContact O-N 2.78Å; A177-L180 PolarHBondContact O-N 2.83Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.16Å; L180-Y183 PolarHBondContact O-N 3.3Å; L180-L184 WeakPolarHBondContact O-CB 3.33Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 2.86Å
181	R	98	Very high	97.7	Very high	74 Å²	74	62 Å²	62	28%	0.279	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-42.6	174.9	-174.7	170.9	178.3	-113	-18.6	112.3	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.01Å; L154-R181 HydrophobicContact CB-CG 3.76Å; L154-R181 HydrophobicContact CD1-CG 4.13Å; L154-R181 WeakPolarHBondContact O-CD 3.44Å; A177-R181 WeakPolarHBondContact O-CB 3.3Å; A177-R181 PolarHBondContact O-N 2.85Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 2.82Å; R181-L184 PolarHBondContact O-N 2.92Å; R181-E185 HydrophobicContact CG-CG 4.04Å; R181-E185 IonicContact CZ-OE1 3.81Å; R181-E185 IonicContact CZ-OE2 3.08Å; R181-E185 VanDerWaalsContact CZ-OE2 3.28Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 2.82Å; R181-E185 PolarHBondContact NE-OE1 3.18Å; R181-E185 IonicContact NE-OE2 2.85Å; R181-E185 PolarHBondContact NE-OE2 2.63Å; R181-E185 VanDerWaalsContact NH2-CD 3.28Å; R181-E185 IonicContact NH2-OE1 3.12Å; R181-E185 PolarHBondContact NH2-OE1 3.19Å; R181-E185 IonicContact NH2-OE2 2.76Å; R181-E185 PolarHBondContact NH2-OE2 2.89Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.49Å; R181-E185 PolarHBondContact O-N 2.89Å
182	A	98.1	Very high	97.8	Very high	64 Å²	64	60.1 Å²	60.1	53%	0.529	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-37.6	176.2	0	0	0	0	0	112.9	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 3.38Å; Q179-A182 PolarHBondContact O-N 3Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.16Å; A182-G186 PolarHBondContact O-N 3.4Å
183	Y	97.8	Very high	97.7	Very high	63 Å²	63	61.5 Å²	61.5	25%	0.247	32%	0.321	C	S	.	.	I	π-helix	trans	-67	-47.1	171.8	169.2	-96.7	0	0	0	112	Y123 Q179 L180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.98Å; Y123-Y183 HydrophobicContact CD2-CE1 3.98Å; Y123-Y183 HydrophobicContact CE2-CE1 4.1Å; Q179-Y183 PolarHBondContact O-N 2.95Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 3.3Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 2.82Å; Y183-G186 CarbonylContact O-C 3.52Å; Y183-T187 HydrophobicContact CD2-CG2 3.96Å; Y183-T187 HydrophobicContact CE2-CG2 3.93Å; Y183-T187 PolarHBondContact O-N 2.91Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.39Å; Y183-C188 PolarHBondContact O-N 2.82Å
184	L	98.4	Very high	97.6	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	31%	0.307	C	S	.	.	I	π-helix	trans	-69.7	-39.7	-175.2	-70.2	172.1	0	0	0	113.1	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.5Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å; L154-L184 HydrophobicContact CD1-CB 4.45Å; L154-L184 HydrophobicContact CD2-CD1 3.94Å; L180-L184 WeakPolarHBondContact O-CB 3.33Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 2.92Å; L184-V189 WeakPolarHBondContact O-CG2 3.19Å
185	E	97.7	Very high	97.6	Very high	87 Å²	87	59.9 Å²	59.9	41%	0.407	28%	0.281	S	S	.	.	I	π-helix	trans	-79.8	-23.4	177.4	-67.6	-178.4	163.8	0	0	113.3	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.44Å; L133-E185 HydrophobicContact CD2-CG 3.73Å; L154-E185 HydrophobicContact CD1-CG 4.22Å; R181-E185 HydrophobicContact CG-CG 4.04Å; R181-E185 IonicContact CZ-OE1 3.81Å; R181-E185 IonicContact CZ-OE2 3.08Å; R181-E185 VanDerWaalsContact CZ-OE2 3.28Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 2.82Å; R181-E185 PolarHBondContact NE-OE1 3.18Å; R181-E185 IonicContact NE-OE2 2.85Å; R181-E185 PolarHBondContact NE-OE2 2.63Å; R181-E185 VanDerWaalsContact NH2-CD 3.28Å; R181-E185 IonicContact NH2-OE1 3.12Å; R181-E185 PolarHBondContact NH2-OE1 3.19Å; R181-E185 IonicContact NH2-OE2 2.76Å; R181-E185 PolarHBondContact NH2-OE2 2.89Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.49Å; R181-E185 PolarHBondContact O-N 2.89Å
186	G	97.6	Very high	97.6	Very high	22 Å²	22	53.1 Å²	53.1	23%	0.227	26%	0.257	C	S	.	.	I	π-helix	trans	-111.8	-91.7	-178	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.4Å; Y183-G186 CarbonylContact O-C 3.52Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.43Å; G186-V189 WeakPolarHBondContact O-CB 3.1Å; G186-V189 PolarHBondContact O-N 2.88Å; G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.46Å
187	T	97.5	Very high	97.5	Very high	57 Å²	57	58.1 Å²	58.1	35%	0.35	28%	0.278	S	S	.	.	I	π-helix	trans	-53.3	-41.6	-169.7	-56.4	0	0	0	0	113.9	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.96Å; Y183-T187 HydrophobicContact CE2-CG2 3.93Å; Y183-T187 PolarHBondContact O-N 2.91Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; T187-E190 PolarHBondContact O-N 3.24Å; T187-W191 PolarHBondContact O-N 2.73Å
188	C	98.3	Very high	97.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-47.4	178.2	-170.5	0	0	0	0	111.6	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.28Å; M29-C188 WeakPolarHBondContact CE-SG 3.37Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.23Å; C125-C188 PolarHBondContact N-SG 3.25Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.41Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.39Å; Y183-C188 PolarHBondContact O-N 2.82Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.43Å; C188-E190 PolarHBondContact O-N 2.83Å; C188-W191 PolarHBondContact O-N 3.44Å; C188-L192 WeakPolarHBondContact O-CB 3.34Å; C188-L192 PolarHBondContact O-N 2.77Å
189	V	98.1	Very high	97.3	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-42.4	177.1	174.6	0	0	0	0	111.4	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.82Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 4.06Å; L184-V189 WeakPolarHBondContact O-CG2 3.19Å; G186-V189 WeakPolarHBondContact O-CB 3.1Å; G186-V189 PolarHBondContact O-N 2.88Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.28Å; V189-R193 PolarHBondContact O-N 3.48Å
190	E	97.9	Very high	97.2	Very high	121 Å²	121	52.4 Å²	52.4	57%	0.565	25%	0.25	S	S	*	.	H	α-helix	trans	-63.6	-46.5	178.7	-70.4	173.8	165.3	0	0	112.4	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.46Å; T187-E190 PolarHBondContact O-N 3.24Å; C188-E190 PolarHBondContact O-N 2.83Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 VanDerWaalsContact O-N 3.11Å
191	W	97.9	Very high	96.9	Very high	47 Å²	47	59.4 Å²	59.4	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-42.2	178.5	-80	103.1	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.07Å; M29-W191 HydrophobicContact SD-CB 4.38Å; Y83-W191 AromaticContact CD2-CH2 3.64Å; Y83-W191 HydrophobicContact CD2-CH2 3.64Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.3Å; Y83-W191 HydrophobicContact CE2-CH2 4.13Å; Y83-W191 AromaticContact CE2-CZ3 3.89Å; Y83-W191 HydrophobicContact CE2-CZ3 3.89Å; T187-W191 PolarHBondContact O-N 2.73Å; C188-W191 PolarHBondContact O-N 3.44Å; W191-R193 PolarHBondContact O-N 3Å; W191-R194 WeakPolarHBondContact O-CB 3.36Å; W191-R194 PolarHBondContact O-N 2.95Å; W191-R194 VanDerWaalsContact O-N 3.16Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 AromaticContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE2 4.33Å; W191-Y195 AromaticContact CE3-CZ 3.48Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.48Å; W191-Y195 VanDerWaalsContact CE3-OH 3.22Å; W191-Y195 HydrophobicContact CZ3-CE1 4.05Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 2.85Å
192	L	98.1	Very high	96.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-45.9	176.3	174.4	50.4	0	0	0	111.5	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.45Å; M29-L192 HydrophobicContact CB-CB 4Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.91Å; M29-L192 HydrophobicContact CB-CG 4.2Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; L127-L192 HydrophobicContact CD1-CB 4.35Å; L127-L192 HydrophobicContact CD1-CD2 3.77Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CD2-CD2 4.45Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.19Å; C188-L192 WeakPolarHBondContact O-CB 3.34Å; C188-L192 PolarHBondContact O-N 2.77Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.34Å; L192-Y195 PolarHBondContact O-N 3.2Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.84Å
193	R	96.8	Very high	96.3	Very high	121 Å²	121	55 Å²	55	46%	0.457	26%	0.257	S	S	.	.	H	α-helix	trans	-58.7	-41.6	173.8	-72.1	174.3	-174.2	158.4	-0.1	112.7	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.91Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 2.93Å; G131-R193 PolarHBondContact O-NH2 3.11Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.28Å; V189-R193 PolarHBondContact O-N 3.48Å; W191-R193 PolarHBondContact O-N 3Å; R193-L196 PolarHBondContact O-N 3.3Å; R193-E197 PolarHBondContact O-N 3.45Å; R193-E197 VanDerWaalsContact O-N 3.12Å
194	R	97.1	Very high	95.9	Very high	118 Å²	118	56.4 Å²	56.4	45%	0.445	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-44.1	176.2	179.1	-179.3	174.3	105.6	-6	111.5	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.33Å; E79-R194 IonicContact OE1-CZ 3.66Å; E79-R194 IonicContact OE1-NE 3.88Å; E79-R194 PolarHBondContact OE1-NE 3.19Å; E79-R194 IonicContact OE1-NH2 3.76Å; E79-R194 PolarHBondContact OE1-NH2 3.39Å; E79-R194 VanDerWaalsContact OE1-NH2 3.17Å; E79-R194 IonicContact OE2-CZ 3.16Å; E79-R194 IonicContact OE2-NE 3.46Å; E79-R194 PolarHBondContact OE2-NE 3.18Å; E79-R194 IonicContact OE2-NH2 3.94Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 VanDerWaalsContact O-N 3.11Å; W191-R194 WeakPolarHBondContact O-CB 3.36Å; W191-R194 PolarHBondContact O-N 2.95Å; W191-R194 VanDerWaalsContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.34Å; R194-E197 PolarHBondContact O-N 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.83Å; R194-N198 PolarHBondContact O-OD1 3.4Å
195	Y	97.4	Very high	95.6	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-39.1	178.2	-61.8	-31.7	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.74Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.9Å; V52-Y195 HydrophobicContact CG2-CG 4.41Å; F57-Y195 HydrophobicContact CD2-CE2 4.33Å; F57-Y195 HydrophobicContact CE2-CD2 4.12Å; F57-Y195 HydrophobicContact CE2-CE1 4.48Å; F57-Y195 AromaticContact CE2-CE2 3.48Å; F57-Y195 HydrophobicContact CE2-CE2 3.48Å; F57-Y195 VanDerWaalsContact CE2-CE2 3.48Å; F57-Y195 AromaticContact CE2-CZ 3.7Å; F57-Y195 HydrophobicContact CZ-CD2 4.18Å; F57-Y195 AromaticContact CZ-CE2 3.65Å; F57-Y195 HydrophobicContact CZ-CE2 3.65Å; W75-Y195 HydrophobicContact CE3-CD1 4.2Å; W75-Y195 HydrophobicContact CE3-CG 4.42Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.1Å; W75-Y195 AromaticContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD1 3.57Å; W75-Y195 HydrophobicContact CZ3-CD2 4.25Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.53Å; W75-Y195 HydrophobicContact CZ3-CG 3.53Å; V76-Y195 HydrophobicContact CG2-CE1 4.34Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.21Å; Y83-Y195 PolarHBondContact OH-OH 3.42Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 AromaticContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE2 4.33Å; W191-Y195 AromaticContact CE3-CZ 3.48Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.48Å; W191-Y195 VanDerWaalsContact CE3-OH 3.22Å; W191-Y195 HydrophobicContact CZ3-CE1 4.05Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 2.85Å; L192-Y195 PolarHBondContact O-N 3.2Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 3.19Å; Y195-N198 PolarHBondContact O-N 3.03Å; Y195-G199 WeakPolarHBondContact O-CA 3.42Å; Y195-G199 PolarHBondContact O-N 3.49Å; Y195-L203 WeakPolarHBondContact O-CD1 3.45Å
196	L	96.1	Very high	95.4	Very high	13 Å²	13	58.1 Å²	58.1	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-35.7	175.1	-70.4	167.4	0	0	0	112.6	H27 V52 L127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.64Å; H27-L196 HydrophobicContact CB-CD2 3.93Å; H27-L196 HydrophobicContact CB-CG 4.38Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L127-L196 HydrophobicContact CD1-CD1 4.46Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.84Å; R193-L196 PolarHBondContact O-N 3.3Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.43Å; L196-K200 PolarHBondContact O-N 3.14Å; L196-K200 VanDerWaalsContact O-N 3.16Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 2.85Å
197	E	95.6	Very high	95.3	Very high	120 Å²	120	59.8 Å²	59.8	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-75.8	-45.4	174.3	-169.2	61.6	-158.7	0	0	111.5	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.45Å; R193-E197 VanDerWaalsContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 3.28Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 3.19Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.09Å; E197-K200 WeakPolarHBondContact O-CB 3.29Å; E197-K200 PolarHBondContact O-N 3.44Å; E197-K200 IonicContact OE1-NZ 3.01Å; E197-K200 IonicContact OE2-NZ 3.28Å
198	N	96.6	Very high	95.3	Very high	50 Å²	50	60.2 Å²	60.2	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-41.5	176.6	-71.9	-0.3	0	0	0	112.5	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.36Å; W75-N198 WeakPolarHBondContact CB-O 3.34Å; Q78-N198 PolarHBondContact NE2-ND2 2.04Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.14Å; Q78-N198 PolarHBondContact NE2-OD1 2.85Å; E79-N198 PolarHBondContact OE1-ND2 3.36Å; E79-N198 VanDerWaalsContact OE1-ND2 3.17Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.83Å; R194-N198 PolarHBondContact O-OD1 3.4Å; Y195-N198 PolarHBondContact O-N 3.03Å
199	G	95.5	Very high	95.2	Very high	2 Å²	2	60.7 Å²	60.7	2%	0.021	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	17.1	-174.4	0	0	0	0	0	114	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CG-CA 3.46Å; Y195-G199 WeakPolarHBondContact O-CA 3.42Å; Y195-G199 PolarHBondContact O-N 3.49Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.09Å; G199-E201 VanDerWaalsContact C-N 3.33Å; G199-E201 PolarHBondContact O-N 2.88Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.41Å; G199-T202 PolarHBondContact O-N 2.93Å; G199-T202 PolarHBondContact O-OG1 3.03Å; G199-L203 PolarHBondContact O-N 2.95Å
200	K	93.4	Very high	95.2	Very high	98 Å²	98	67.4 Å²	67.4	43%	0.426	32%	0.315	S	S	.	.	H	α-helix	trans	-48.2	-46.3	-170.6	-174.9	168.3	-165.3	161.5	0	114.8	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.43Å; L196-K200 PolarHBondContact O-N 3.14Å; L196-K200 VanDerWaalsContact O-N 3.16Å; E197-K200 WeakPolarHBondContact O-CB 3.29Å; E197-K200 PolarHBondContact O-N 3.44Å; E197-K200 IonicContact OE1-NZ 3.01Å; E197-K200 IonicContact OE2-NZ 3.28Å; K200-T202 PolarHBondContact O-N 2.97Å; K200-T202 VanDerWaalsContact O-N 3.14Å; K200-Q204 HydrophobicContact CG-CB 4.43Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 WeakPolarHBondContact O-CB 3.5Å; K200-Q204 PolarHBondContact O-N 2.91Å; K200-Q204 VanDerWaalsContact O-N 3.09Å
201	E	91.1	Very high	95.2	Very high	180 Å²	180	63.7 Å²	63.7	84%	0.841	30%	0.3	S	S	*	.	H	α-helix	trans	-64.4	-15.8	178.3	-60	-173.8	162.5	0	0	113.9	G199 R205	G199-E201 VanDerWaalsContact C-N 3.33Å; G199-E201 PolarHBondContact O-N 2.88Å; E201-R205 WeakPolarHBondContact O-CD 3.24Å
202	T	91.1	Very high	95.1	Very high	42 Å²	42	65.3 Å²	65.3	26%	0.258	31%	0.31	S	S	.	.	H	α-helix	trans	-113.8	-31.5	-177.6	59.7	0	0	0	0	114.6	W75 G199 K200	W75-T202 PolarHBondContact NE1-OG1 3.21Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.41Å; G199-T202 PolarHBondContact O-N 2.93Å; G199-T202 PolarHBondContact O-OG1 3.03Å; K200-T202 PolarHBondContact O-N 2.97Å; K200-T202 VanDerWaalsContact O-N 3.14Å
203	L	92.3	Very high	95.1	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-101.6	-26.2	-174	-60.9	172.3	0	0	0	113	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.24Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.13Å; T55-L203 HydrophobicContact CG2-CD2 4.06Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.73Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å; Y195-L203 WeakPolarHBondContact O-CD1 3.45Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 PolarHBondContact O-N 2.95Å
204	Q	90.3	Very high	95	Very high	91 Å²	91	62.2 Å²	62.2	43%	0.425	30%	0.304	S	S	.	.	S	Bend	trans	-104.3	30.7	176.9	-58	177.4	35.5	0	0	110.8	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.85Å; K200-Q204 HydrophobicContact CG-CB 4.43Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 WeakPolarHBondContact O-CB 3.5Å; K200-Q204 PolarHBondContact O-N 2.91Å; K200-Q204 VanDerWaalsContact O-N 3.09Å
205	R	91.2	Very high	95	Very high	82 Å²	82	59.2 Å²	59.2	31%	0.309	30%	0.295	S	S	.	.			trans	-110.5	142.3	174.9	82	-176.9	-171.3	-138.6	1.8	109.4	E201 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.24Å; R205-E207 IonicContact CZ-OE1 3.45Å; R205-E207 IonicContact NE-OE1 2.7Å; R205-E207 PolarHBondContact NE-OE1 2.81Å; R205-E207 IonicContact NH2-OE1 3.33Å; R205-E207 PolarHBondContact NH2-OE1 2.7Å; R205-Y233 HydrophobicContact CG-CD1 4.25Å; R205-Y233 VanDerWaalsContact O-CD1 3.28Å; R205-Y233 WeakPolarHBondContact O-CD1 3.13Å
206	A	93.7	Very high	94.9	Very high	43 Å²	43	62.8 Å²	62.8	36%	0.355	31%	0.312	S	S	.	.			trans	-111.5	122.2	166	0	0	0	0	0	108.8	Y233 E288	A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; A206-E288 HydrophobicContact CB-CG 3.68Å
207	E	95.3	Very high	94.8	Very high	57 Å²	57	66.8 Å²	66.8	27%	0.266	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-100.5	113	172.8	-69.8	-175.6	-112.5	0	0	108.8	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.45Å; R205-E207 IonicContact NE-OE1 2.7Å; R205-E207 PolarHBondContact NE-OE1 2.81Å; R205-E207 IonicContact NH2-OE1 3.33Å; R205-E207 PolarHBondContact NH2-OE1 2.7Å; E207-F232 WeakPolarHBondContact O-CA 3.41Å; E207-F232 VanDerWaalsContact O-CB 3.31Å; E207-F232 WeakPolarHBondContact O-CB 3.42Å; E207-Y233 PolarHBondContact N-O 3.42Å; E207-Y233 PolarHBondContact O-N 3.14Å; E207-Y233 VanDerWaalsContact O-N 3.1Å; E207-H287 PolarHBondContact O-CE1 2.88Å
208	P	96.8	Very high	94.6	Very high	66 Å²	66	65.9 Å²	65.9	43%	0.429	34%	0.337	S	S	.	.			trans	-69.3	146.2	-179.3	25	-32.5	0	0	0	112.1	K210 L290	P208-K210 PolarHBondContact O-N 2.79Å; P208-L290 HydrophobicContact CB-CD2 3.83Å; P208-L290 HydrophobicContact CB-CG 4.48Å
209	P	97.7	Very high	94.4	Very high	10 Å²	10	66.2 Å²	66.2	7%	0.065	34%	0.343	C	S	.	.			trans	-63.8	135.6	179	25.9	-34.8	0	0	0	112.5	T211 A229 F232 I237 M285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-T211 PolarHBondContact O-N 2.85Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.93Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.22Å; P209-I237 HydrophobicContact CB-CD1 4.24Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; P209-M285 HydrophobicContact CB-SD 3.93Å; P209-M285 HydrophobicContact CG-SD 3.48Å; P209-M285 WeakPolarHBondContact CG-SD 3.18Å; P209-H287 HydrophobicContact CG-CB 4.38Å; P209-L290 HydrophobicContact CG-CD1 3.91Å; P209-L290 HydrophobicContact CG-CD2 4.31Å; P209-L290 HydrophobicContact CG-CG 4.26Å
210	K	97.7	Very high	94.1	Very high	148 Å²	148	73.4 Å²	73.4	64%	0.643	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	113.3	162.8	-65.9	160.8	-172.3	154	0	107.6	P208 L230	P208-K210 PolarHBondContact O-N 2.79Å; K210-L230 HydrophobicContact CB-CB 4.5Å; K210-L230 WeakPolarHBondContact CB-O 3.31Å; K210-L230 PolarHBondContact N-O 2.82Å; K210-L230 PolarHBondContact O-N 2.86Å
211	T	97.1	Very high	94	Very high	42 Å²	42	75.5 Å²	75.5	26%	0.258	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	147.6	-169.8	61.6	0	0	0	0	113.1	P209 W228 M285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-T211 PolarHBondContact O-N 2.85Å; T211-W228 VanDerWaalsContact CA-O 3.28Å; T211-W228 WeakPolarHBondContact CA-O 3.46Å; T211-M285 HydrophobicContact CG2-CE 3.5Å; T211-M285 HydrophobicContact CG2-SD 3.38Å; T211-M285 WeakPolarHBondContact CG2-SD 3.24Å; T211-L294 HydrophobicContact CG2-CD1 4.24Å; T211-L296 HydrophobicContact CG2-CD1 4.09Å
212	H	95.9	Very high	94.2	Very high	82 Å²	82	71.5 Å²	71.5	38%	0.38	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	159.5	168.8	62.1	-70.6	0	0	0	110.4	W228	H212-W228 AromaticContact CD2-CD1 3.98Å; H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.49Å; H212-W228 AromaticContact CE1-CD1 3.85Å; H212-W228 AromaticContact CE1-CG 3.65Å; H212-W228 PolarHBondContact N-O 3.09Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.78Å; H212-W228 PolarHBondContact O-N 2.78Å
213	V	97.7	Very high	94.5	Very high	23 Å²	23	69.5 Å²	69.5	14%	0.139	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.4	174.5	-179.1	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.45Å; V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.28Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.41Å; V213-L296 HydrophobicContact CG2-CB 3.99Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.4	Very high	94.7	Very high	33 Å²	33	70.1 Å²	70.1	20%	0.202	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	144.7	172.7	62.3	0	0	0	0	110.9	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.38Å; T214-H216 PolarHBondContact OG1-NE2 3.01Å; T214-L225 CarbonylContact O-C 3.55Å; T214-L225 WeakPolarHBondContact O-CA 3.35Å; T214-R226 PolarHBondContact N-O 3.01Å; T214-R226 PolarHBondContact O-N 3.11Å; T214-W228 PolarHBondContact OG1-NE1 3.25Å
215	H	95.9	Very high	95.1	Very high	55 Å²	55	65.8 Å²	65.8	26%	0.255	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.8	177.7	167.5	-90.8	0	0	0	109.7	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.47Å; H215-T224 WeakPolarHBondContact CA-O 3.04Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 HydrophobicContact CB-CG 4.19Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 VanDerWaalsContact CB-NE1 3.33Å; H215-W298 AromaticContact CG-CE2 3.84Å; H215-W298 AromaticContact CG-CZ2 3.85Å
216	H	94.9	Very high	95.4	Very high	76 Å²	76	64.1 Å²	64.1	35%	0.352	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	105.2	-177.9	-54.5	-72	0	0	0	109.6	T214 L218 A223 T224 R226	T214-H216 WeakPolarHBondContact CB-NE2 3.38Å; T214-H216 PolarHBondContact OG1-NE2 3.01Å; H216-L218 PolarHBondContact O-N 3.36Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.03Å; H216-T224 PolarHBondContact N-O 2.81Å; H216-T224 PolarHBondContact O-N 3Å; H216-R226 PolarHBondContact CD2-NH1 2.84Å; H216-R226 PolarHBondContact NE2-NH1 3.04Å
217	P	94.1	Very high	95.6	Very high	97 Å²	97	62.1 Å²	62.1	63%	0.63	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	133.1	174.5	-21.8	31.9	0	0	0	111.3
218	L	91.3	Very high	95.7	Very high	102 Å²	102	61.8 Å²	61.8	53%	0.534	32%	0.318	S	S	.	.			trans	-103.3	-38.9	172	-62.7	179.3	0	0	0	111	H216 E222 T224 V272	H216-L218 PolarHBondContact O-N 3.36Å; L218-E222 PolarHBondContact N-O 2.97Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.39Å; L218-V272 HydrophobicContact CD1-CG1 4.19Å; L218-V272 HydrophobicContact CD1-CG2 4.19Å
219	S	92.4	Very high	95.8	Very high	56 Å²	56	58.6 Å²	58.6	39%	0.392	30%	0.298	S	S	.	.	S	Bend	trans	-152.7	-177.8	177.9	70.3	0	0	0	0	110.7	H221 E222	S219-H221 PolarHBondContact O-N 2.84Å; S219-H221 VanDerWaalsContact O-N 3.13Å; S219-H221 PolarHBondContact OG-N 2.93Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 2.85Å; S219-E222 PolarHBondContact OG-N 2.86Å; S219-E222 VanDerWaalsContact OG-N 3.16Å
220	D	89.1	Confident	95.8	Very high	153 Å²	153	60.7 Å²	60.7	82%	0.818	31%	0.308	S	S	*	.	S	Bend	trans	-67.4	-2.6	171.1	-62.9	-26.6	0	0	0	113.5
221	H	93	Very high	95.8	Very high	143 Å²	143	54.3 Å²	54.3	66%	0.662	28%	0.284	S	S	*	.	S	Bend	trans	-125.3	-16.8	-174.6	-56.5	-25.8	0	0	0	113.6	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.84Å; S219-H221 VanDerWaalsContact O-N 3.13Å; S219-H221 PolarHBondContact OG-N 2.93Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.43Å; H221-S275 PolarHBondContact O-N 2.78Å; H221-S275 PolarHBondContact O-OG 2.89Å
222	E	95.3	Very high	95.8	Very high	95 Å²	95	52.3 Å²	52.3	44%	0.444	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.4	-172	-66.8	-179.5	167.1	0	0	112.2	L218 S219 V272 V273 S275	L218-E222 PolarHBondContact N-O 2.97Å; S219-E222 PolarHBondContact N-O 2.85Å; S219-E222 PolarHBondContact OG-N 2.86Å; S219-E222 VanDerWaalsContact OG-N 3.16Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.25Å; E222-S275 PolarHBondContact N-OG 3.4Å
223	A	95.9	Very high	95.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157	171.2	0	0	0	0	0	110.9	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.47Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.03Å; A223-V272 WeakPolarHBondContact O-CA 3.16Å; A223-V273 PolarHBondContact N-O 2.77Å; A223-V273 PolarHBondContact O-N 3.39Å
224	T	97.3	Very high	95.7	Very high	18 Å²	18	48.5 Å²	48.5	11%	0.11	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.4	167.8	-52.3	0	0	0	0	109.8	H215 H216 L218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.04Å; H216-T224 PolarHBondContact N-O 2.81Å; H216-T224 PolarHBondContact O-N 3Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.39Å; T224-A270 HydrophobicContact CG2-CB 3.85Å; T224-V271 WeakPolarHBondContact CA-O 3.48Å
225	L	97.8	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.5	161.3	-62.5	-176.1	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.45Å; T214-L225 CarbonylContact O-C 3.55Å; T214-L225 WeakPolarHBondContact O-CA 3.35Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; L225-V271 HydrophobicContact CB-CG2 4.22Å; L225-V271 PolarHBondContact N-O 3.18Å; L225-V271 PolarHBondContact O-N 3.39Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.1Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.4Å; L225-W298 HydrophobicContact CD1-CB 4.27Å; L225-W298 HydrophobicContact CD2-CB 3.77Å; L225-W298 HydrophobicContact CD2-CD2 4.35Å; L225-W298 HydrophobicContact CD2-CG 3.91Å
226	R	98	Very high	95.7	Very high	47 Å²	47	51.9 Å²	51.9	18%	0.177	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.2	175.5	-178.5	178.1	-69.9	109.3	1.2	110.3	V213 T214 H216 W228 E253 W268 A269 A270	V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.28Å; T214-R226 PolarHBondContact N-O 3.01Å; T214-R226 PolarHBondContact O-N 3.11Å; H216-R226 PolarHBondContact CD2-NH1 2.84Å; H216-R226 PolarHBondContact NE2-NH1 3.04Å; R226-W228 VanDerWaalsContact CD-CE2 3.45Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; R226-E253 IonicContact NH2-OE2 3.94Å; R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.79Å; R226-W268 HydrophobicContact CG-CG 4.16Å; R226-W268 VanDerWaalsContact NE-CE3 3.35Å; R226-A269 WeakPolarHBondContact CA-O 3.44Å; R226-A270 HydrophobicContact CB-CB 3.98Å; R226-A270 HydrophobicContact CG-CB 4.1Å
227	C	98	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.3	175.4	-176.8	0	0	0	0	109.3	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.41Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; C227-A269 PolarHBondContact N-O 2.78Å; C227-A269 PolarHBondContact O-N 3.48Å; C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.06Å
228	W	98.3	Very high	95.9	Very high	50 Å²	50	47.1 Å²	47.1	19%	0.189	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.7	-178.5	-68.6	88.6	0	0	0	111.5	T211 H212 T214 R226 L230 W268	T211-W228 VanDerWaalsContact CA-O 3.28Å; T211-W228 WeakPolarHBondContact CA-O 3.46Å; H212-W228 AromaticContact CD2-CD1 3.98Å; H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.49Å; H212-W228 AromaticContact CE1-CD1 3.85Å; H212-W228 AromaticContact CE1-CG 3.65Å; H212-W228 PolarHBondContact N-O 3.09Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.78Å; H212-W228 PolarHBondContact O-N 2.78Å; T214-W228 PolarHBondContact OG1-NE1 3.25Å; R226-W228 VanDerWaalsContact CD-CE2 3.45Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.42Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.76Å; W228-W268 HydrophobicContact CE3-CG 4.11Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.33Å; W228-W268 HydrophobicContact CZ3-CB 4.36Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.07Å
229	A	98.3	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.3	162	0	0	0	0	0	108	P209 F232 I237 L239 Q266 K267 M285	P209-A229 HydrophobicContact CB-CB 3.86Å; A229-F232 HydrophobicContact CB-CD1 3.91Å; A229-F232 HydrophobicContact CB-CE1 3.62Å; A229-F232 WeakPolarHBondContact O-CE1 3.24Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; A229-L239 HydrophobicContact CB-CD1 4.14Å; A229-L239 HydrophobicContact CB-CD2 4.3Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.03Å; A229-K267 PolarHBondContact N-O 2.81Å; A229-K267 PolarHBondContact O-N 3.43Å; A229-K267 VanDerWaalsContact O-O 3.06Å; A229-M285 HydrophobicContact CB-CE 3.79Å; A229-M285 HydrophobicContact CB-SD 3.86Å
230	L	98.2	Very high	96.4	Very high	53 Å²	53	42 Å²	42	28%	0.277	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.6	-176.8	-60.6	177.6	0	0	0	111.3	K210 W228 Q266	K210-L230 HydrophobicContact CB-CB 4.5Å; K210-L230 WeakPolarHBondContact CB-O 3.31Å; K210-L230 PolarHBondContact N-O 2.82Å; K210-L230 PolarHBondContact O-N 2.86Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; L230-Q266 HydrophobicContact CD2-CB 3.61Å
231	G	97.5	Very high	96.8	Very high	14 Å²	14	34.8 Å²	34.8	14%	0.144	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.3	37.4	169.2	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.37Å; G231-F265 PolarHBondContact N-O 3.21Å
232	F	97.4	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	157.4	178.4	60.1	-90	0	0	0	112.6	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.41Å; E207-F232 VanDerWaalsContact O-CB 3.31Å; E207-F232 WeakPolarHBondContact O-CB 3.42Å; P209-F232 HydrophobicContact CB-CB 3.93Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.22Å; A229-F232 HydrophobicContact CB-CD1 3.91Å; A229-F232 HydrophobicContact CB-CE1 3.62Å; A229-F232 WeakPolarHBondContact O-CE1 3.24Å; F232-P234 WeakPolarHBondContact CD2-O 3.4Å; F232-I237 HydrophobicContact CD1-CD1 4Å; F232-I237 HydrophobicContact CD2-CB 4.36Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.9Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.81Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.06Å; F232-I237 HydrophobicContact CZ-CB 4.2Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.46Å; F232-F265 WeakPolarHBondContact CD1-O 3.48Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.4Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.7Å; F232-F265 PolarHBondContact N-O 2.86Å; F232-F265 PolarHBondContact O-N 3.32Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.92Å; F232-H287 AromaticContact CD2-NE2 3.74Å
233	Y	96.2	Very high	97.1	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.02	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-153.9	138	174.3	176.5	-83.1	0	0	0	108.6	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.1Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.44Å; T55-Y233 PolarHBondContact OG1-OH 2.85Å; R205-Y233 HydrophobicContact CG-CD1 4.25Å; R205-Y233 VanDerWaalsContact O-CD1 3.28Å; R205-Y233 WeakPolarHBondContact O-CD1 3.13Å; A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; E207-Y233 PolarHBondContact N-O 3.42Å; E207-Y233 PolarHBondContact O-N 3.14Å; E207-Y233 VanDerWaalsContact O-N 3.1Å; Y233-G263 WeakPolarHBondContact CD2-O 3.42Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.09Å; Y233-H287 PolarHBondContact O-CE1 2.86Å
234	P	95.4	Very high	97	Very high	21 Å²	21	33.3 Å²	33.3	14%	0.136	17%	0.17	C	C	.	.	S	Bend	cis	-68.2	178.2	-1.1	29.5	-37	0	0	0	113.2	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.34Å; F232-P234 WeakPolarHBondContact CD2-O 3.4Å; P234-E236 VanDerWaalsContact C-N 3.35Å; P234-H287 PolarHBondContact O-NE2 3.39Å; P234-E288 VanDerWaalsContact CD-OE1 3.24Å; P234-E288 WeakPolarHBondContact CD-OE1 3.5Å; P234-E288 HydrophobicContact CG-CG 4.13Å
235	A	96.4	Very high	96.7	Very high	15 Å²	15	34.8 Å²	34.8	12%	0.124	19%	0.188	C	C	.	.	S	Bend	trans	-73.5	-22.4	-175.4	0	0	0	0	0	114.1	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.43Å; D54-A235 PolarHBondContact OD2-N 2.85Å; A235-I237 PolarHBondContact O-N 3.44Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.78Å; A235-F265 HydrophobicContact CB-CE2 3.73Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.8Å
236	E	95.5	Very high	96.6	Very high	144 Å²	144	40.8 Å²	40.8	67%	0.673	22%	0.216	S	C	*	.			trans	-66.1	116.7	179.2	-173.7	52.1	-131.5	0	0	110.3	P234 H287	P234-E236 VanDerWaalsContact C-N 3.35Å; E236-H287 PolarHBondContact O-CD2 2.9Å; E236-H287 VanDerWaalsContact O-CD2 3.26Å
237	I	95.8	Very high	96.4	Very high	10 Å²	10	43 Å²	43	5%	0.051	23%	0.232	C	C	.	.			trans	-154.2	134.2	-176.4	-163.5	172.4	0	0	0	110.3	P209 A229 F232 A235 L239 K267 M285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.24Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; F232-I237 HydrophobicContact CD1-CD1 4Å; F232-I237 HydrophobicContact CD2-CB 4.36Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.9Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.81Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.06Å; F232-I237 HydrophobicContact CZ-CB 4.2Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; A235-I237 PolarHBondContact O-N 3.44Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; I237-M285 HydrophobicContact CD1-CG 4.22Å; I237-M285 HydrophobicContact CD1-SD 4.07Å; I237-M285 HydrophobicContact CG1-CG 4.42Å; I237-Q286 WeakPolarHBondContact CG1-O 3.41Å; I237-H287 HydrophobicContact CD1-CB 4.24Å; I237-H287 HydrophobicContact CG1-CB 4.04Å
238	T	96.4	Very high	96.3	Very high	62 Å²	62	43.6 Å²	43.6	38%	0.38	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.3	174.9	-66.8	0	0	0	0	109.9	T240 M285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.18Å; T238-M285 WeakPolarHBondContact O-CA 3.49Å; T238-Q286 PolarHBondContact N-O 3.43Å; T238-Q286 PolarHBondContact O-N 3.49Å
239	L	96.8	Very high	95.8	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.3	172.6	-90.2	66.5	0	0	0	108.4	A229 I237 L254 K267 A269 H284 M285	A229-L239 HydrophobicContact CB-CD1 4.14Å; A229-L239 HydrophobicContact CB-CD2 4.3Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; L239-L254 HydrophobicContact CB-CD1 4.1Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.46Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L239-A269 HydrophobicContact CB-CB 4.14Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; L239-H284 WeakPolarHBondContact CA-O 3.4Å; L239-M285 HydrophobicContact CD1-CE 4.03Å; L239-M285 HydrophobicContact CD1-CG 3.87Å; L239-M285 HydrophobicContact CD1-SD 4.23Å; L239-M285 HydrophobicContact CD2-CE 4.26Å; L239-M285 HydrophobicContact CG-CE 3.97Å; L239-M285 HydrophobicContact CG-CG 4.43Å
240	T	96.8	Very high	95.3	Very high	44 Å²	44	55.3 Å²	55.3	27%	0.27	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.2	175.1	53.8	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.18Å; T240-C283 CarbonylContact O-C 3.39Å; T240-C283 WeakPolarHBondContact O-CA 3.36Å; T240-H284 PolarHBondContact N-O 3.13Å; T240-H284 PolarHBondContact O-N 3.2Å
241	W	97.9	Very high	94.7	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.4	169.1	-83.9	103.2	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 C283	V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.41Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.39Å; W241-Q248 PolarHBondContact O-N 3.07Å; W241-A269 VanDerWaalsContact NE1-C 3.35Å; W241-A269 PolarHBondContact NE1-O 3.23Å; W241-V271 HydrophobicContact CB-CG1 3.69Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 4Å; W241-V271 HydrophobicContact CG-CB 4.39Å; W241-V271 HydrophobicContact CG-CG1 3.64Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; W241-V271 HydrophobicContact CZ3-CG2 4.49Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.12Å; W241-C283 HydrophobicContact CH2-CB 4.09Å; W241-C283 HydrophobicContact CZ2-CB 4.13Å; W241-C283 HydrophobicContact CZ3-CB 4.08Å
242	Q	97.5	Very high	94.6	Very high	34 Å²	34	58.8 Å²	58.8	16%	0.159	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.4	172.7	-69.4	-170.9	-9.5	0	0	110.8	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.33Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.39Å; Q242-D247 PolarHBondContact NE2-OD1 3.05Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.22Å; Q242-T282 PolarHBondContact N-O 2.82Å; Q242-T282 PolarHBondContact O-N 2.58Å; Q242-H284 PolarHBondContact OE1-NE2 3.18Å
243	R	96.9	Very high	94.5	Very high	77 Å²	77	64.1 Å²	64.1	29%	0.291	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.8	169.4	-175.6	-174	65.3	-148.7	-9.4	108.7	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 2.98Å; R243-E246 PolarHBondContact N-O 3.38Å; R243-E246 PolarHBondContact O-N 3.48Å; R243-Q248 HydrophobicContact CB-CG 3.9Å; R243-R280 WeakPolarHBondContact CA-O 3.42Å; R243-R280 HydrophobicContact CG-CB 4.33Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.94Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CD2 4.33Å; R243-Y281 HydrophobicContact CG-CE1 4.13Å; R243-Y281 HydrophobicContact CG-CE2 4Å
244	D	94.4	Very high	94.5	Very high	97 Å²	97	68.2 Å²	68.2	52%	0.519	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	24.5	-174.1	-42.9	-72.1	0	0	0	114.6	R280	D244-R280 PolarHBondContact N-O 3.42Å; D244-R280 IonicContact OD1-CZ 3.71Å; D244-R280 IonicContact OD1-NE 3.02Å; D244-R280 PolarHBondContact OD1-NE 2.84Å; D244-R280 IonicContact OD1-NH2 3.64Å; D244-R280 IonicContact OD2-CZ 3.13Å; D244-R280 IonicContact OD2-NE 3.78Å; D244-R280 PolarHBondContact OD2-NE 3.05Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 3.26Å
245	G	91.3	Very high	94.6	Very high	49 Å²	49	68.9 Å²	68.9	51%	0.505	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-0.8	-175.8	0	0	0	0	0	115.8	R243	R243-G245 PolarHBondContact O-N 2.98Å
246	E	95.3	Very high	94.6	Very high	126 Å²	126	76.4 Å²	76.4	59%	0.589	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.6	174.8	-62.3	-175.4	157.7	0	0	111.6	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.33Å; R243-E246 PolarHBondContact N-O 3.38Å; R243-E246 PolarHBondContact O-N 3.48Å; E246-Q248 PolarHBondContact O-N 3.19Å; E246-Q248 PolarHBondContact O-NE2 2.82Å
247	D	95.1	Very high	94.7	Very high	93 Å²	93	71.8 Å²	71.8	50%	0.497	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	133.1	178.2	-67.3	-34.9	0	0	0	112.5	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.39Å; Q242-D247 PolarHBondContact NE2-OD1 3.05Å
248	Q	94.6	Very high	94.8	Very high	13 Å²	13	76.1 Å²	76.1	6%	0.061	40%	0.395	C	S	.	.			trans	-104.1	36.2	-177.2	-55.6	-60.6	-82.7	0	0	112.2	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.39Å; W241-Q248 PolarHBondContact O-N 3.07Å; R243-Q248 HydrophobicContact CB-CG 3.9Å; E246-Q248 PolarHBondContact O-N 3.19Å; E246-Q248 PolarHBondContact O-NE2 2.82Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.45Å; Q248-Q250 VanDerWaalsContact O-N 3.17Å; Q248-D251 PolarHBondContact O-N 3.27Å; Q248-D251 VanDerWaalsContact O-N 3.11Å; Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 3.11Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.12Å; Q248-V271 HydrophobicContact CB-CG1 4.47Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å
249	T	88.2	Confident	94.8	Very high	106 Å²	106	77.5 Å²	77.5	65%	0.65	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.1	-167.7	-43.1	0	0	0	0	114.5
250	Q	87.7	Confident	94.8	Very high	191 Å²	191	79.5 Å²	79.5	89%	0.893	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-30.2	-179.9	-64.3	-174.4	10.2	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.45Å; Q248-Q250 VanDerWaalsContact O-N 3.17Å
251	D	86.3	Confident	94.7	Very high	117 Å²	117	81.1 Å²	81.1	63%	0.626	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	3.8	-178.7	-56.7	-54.6	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.27Å; Q248-D251 VanDerWaalsContact O-N 3.11Å
252	T	94.3	Very high	94.4	Very high	23 Å²	23	86.4 Å²	86.4	14%	0.141	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119	-179.7	-61.2	0	0	0	0	111.4	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 3.11Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.12Å; T252-L254 HydrophobicContact CG2-CB 4.35Å; T252-L254 PolarHBondContact O-N 3Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 WeakPolarHBondContact CA-O 3.23Å; T252-V271 HydrophobicContact CG2-CG1 4.39Å; T252-V271 VanDerWaalsContact OG1-CG1 3.3Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.39Å
253	E	96.4	Very high	94.2	Very high	112 Å²	112	86.9 Å²	86.9	52%	0.523	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	100.6	162.9	-174.7	-172.7	-160.8	0	0	108.9	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 3.94Å; E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 VanDerWaalsContact OE2-CH2 3.29Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.49Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.34Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.16Å; E253-A270 PolarHBondContact O-N 3.45Å
254	L	96.6	Very high	94.2	Very high	91 Å²	91	83.6 Å²	83.6	48%	0.476	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.2	177	-175.1	69	0	0	0	110.1	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.1Å; T252-L254 HydrophobicContact CG2-CB 4.35Å; T252-L254 PolarHBondContact O-N 3Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
255	V	96.6	Very high	94.3	Very high	34 Å²	34	80.2 Å²	80.2	21%	0.206	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-84.6	153.3	175	-63.7	0	0	0	0	112.6	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 WeakPolarHBondContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.4Å; V255-W268 HydrophobicContact CG1-CD2 4.02Å; V255-W268 VanDerWaalsContact CG1-CE2 3.49Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.7Å; V255-W268 HydrophobicContact CG1-CZ2 3.35Å; V255-W268 HydrophobicContact CG1-CZ3 4.14Å; V255-W268 HydrophobicContact CG2-CD2 3.83Å; V255-W268 HydrophobicContact CG2-CG 3.78Å; V255-W268 WeakPolarHBondContact CG2-O 3.33Å; V255-W268 PolarHBondContact N-O 2.97Å
256	E	96.8	Very high	94.7	Very high	174 Å²	174	79.9 Å²	79.9	81%	0.813	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-55.7	147.8	166.2	-67.5	-177.3	170.7	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.37Å
257	T	97.8	Very high	94.8	Very high	46 Å²	46	75 Å²	75	28%	0.282	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-70.2	129.3	174.7	-55.1	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 3.12Å
258	R	97.3	Very high	95	Very high	101 Å²	101	71.7 Å²	71.7	38%	0.381	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.7	-174.5	70.6	-165.7	-177.5	-171.9	2.5	111.2	E256 Q266	E256-R258 PolarHBondContact O-N 3.37Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.16Å; R258-Q266 VanDerWaalsContact O-CG 3.3Å; R258-Q266 WeakPolarHBondContact O-CG 3.25Å; R258-Q266 PolarHBondContact O-N 3.39Å
259	P	97.3	Very high	95.1	Very high	91 Å²	91	71.1 Å²	71.1	59%	0.591	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	148.8	177.7	27.7	-34.6	0	0	0	111.3	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.43Å; P259-F265 HydrophobicContact CB-CE1 4.18Å; P259-Q266 PolarHBondContact O-NE2 2.91Å
260	A	96.6	Very high	95.6	Very high	49 Å²	49	66.1 Å²	66.1	41%	0.405	37%	0.37	S	S	.	.			trans	-88	-21.5	170	0	0	0	0	0	112.7	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.24Å; A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 PolarHBondContact N-O 3.46Å; A260-Q266 HydrophobicContact CB-CG 4.49Å
261	G	93.4	Very high	96	Very high	77 Å²	77	57.2 Å²	57.2	79%	0.794	33%	0.328	S	S	*	.	S	Bend	trans	98.7	-5.7	178.5	0	0	0	0	0	114.9
262	D	93	Very high	96.6	Very high	114 Å²	114	55.1 Å²	55.1	61%	0.61	32%	0.32	S	S	*	.	S	Bend	trans	-102.4	6.7	175.3	57.7	6.3	0	0	0	113.3	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.24Å; D262-T264 WeakPolarHBondContact OD1-CB 3.14Å; D262-T264 PolarHBondContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 2.88Å
263	G	91.9	Very high	96.7	Very high	44 Å²	44	54 Å²	54	45%	0.454	31%	0.313	S	S	.	.	S	Bend	trans	97.1	-8.7	-172.3	0	0	0	0	0	114.1	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.42Å
264	T	96.8	Very high	96.7	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.049	30%	0.302	C	S	.	.			trans	-100.1	171.9	176.2	74.1	0	0	0	0	112.8	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.37Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.46Å; A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 PolarHBondContact N-O 3.46Å; D262-T264 WeakPolarHBondContact OD1-CB 3.14Å; D262-T264 PolarHBondContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 2.88Å
265	F	98.1	Very high	96.5	Very high	25 Å²	25	49.2 Å²	49.2	11%	0.11	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	164	-177.2	-65.3	-85.5	0	0	0	112.7	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.72Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 3.21Å; F232-F265 WeakPolarHBondContact CD1-O 3.48Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.4Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.7Å; F232-F265 PolarHBondContact N-O 2.86Å; F232-F265 PolarHBondContact O-N 3.32Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.09Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.78Å; A235-F265 HydrophobicContact CB-CE2 3.73Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.8Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; P259-F265 HydrophobicContact CB-CD1 4.43Å; P259-F265 HydrophobicContact CB-CE1 4.18Å
266	Q	98.1	Very high	96.2	Very high	43 Å²	43	50.8 Å²	50.8	20%	0.201	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.9	176.3	38.3	162.4	-22.4	0	0	110.1	A229 L230 R258 P259 A260	A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.03Å; L230-Q266 HydrophobicContact CD2-CB 3.61Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.16Å; R258-Q266 VanDerWaalsContact O-CG 3.3Å; R258-Q266 WeakPolarHBondContact O-CG 3.25Å; R258-Q266 PolarHBondContact O-N 3.39Å; P259-Q266 PolarHBondContact O-NE2 2.91Å; A260-Q266 HydrophobicContact CB-CG 4.49Å
267	K	98.4	Very high	96.1	Very high	23 Å²	23	45.7 Å²	45.7	10%	0.1	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.1	177.6	-160.7	-175.6	-170	65.7	0	109.1	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 2.81Å; A229-K267 PolarHBondContact O-N 3.43Å; A229-K267 VanDerWaalsContact O-O 3.06Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.46Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 WeakPolarHBondContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.4Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 3.12Å
268	W	98.1	Very high	95.9	Very high	24 Å²	24	44.4 Å²	44.4	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.8	168	57.2	-96.6	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.79Å; R226-W268 HydrophobicContact CG-CG 4.16Å; R226-W268 VanDerWaalsContact NE-CE3 3.35Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.41Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.42Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.76Å; W228-W268 HydrophobicContact CE3-CG 4.11Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.33Å; W228-W268 HydrophobicContact CZ3-CB 4.36Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.07Å; E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 VanDerWaalsContact OE2-CH2 3.29Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.49Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.34Å; V255-W268 HydrophobicContact CG1-CD2 4.02Å; V255-W268 VanDerWaalsContact CG1-CE2 3.49Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.7Å; V255-W268 HydrophobicContact CG1-CZ2 3.35Å; V255-W268 HydrophobicContact CG1-CZ3 4.14Å; V255-W268 HydrophobicContact CG2-CD2 3.83Å; V255-W268 HydrophobicContact CG2-CG 3.78Å; V255-W268 WeakPolarHBondContact CG2-O 3.33Å; V255-W268 PolarHBondContact N-O 2.97Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
269	A	98.1	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.7	173.6	0	0	0	0	0	108.4	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.44Å; C227-A269 PolarHBondContact N-O 2.78Å; C227-A269 PolarHBondContact O-N 3.48Å; L239-A269 HydrophobicContact CB-CB 4.14Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; W241-A269 VanDerWaalsContact NE1-C 3.35Å; W241-A269 PolarHBondContact NE1-O 3.23Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
270	A	97.7	Very high	95.7	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.5	179.1	0	0	0	0	0	112.5	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.85Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.47Å; R226-A270 HydrophobicContact CB-CB 3.98Å; R226-A270 HydrophobicContact CG-CB 4.1Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 WeakPolarHBondContact CA-O 3.23Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.16Å; E253-A270 PolarHBondContact O-N 3.45Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
271	V	97.7	Very high	95.7	Very high	3 Å²	3	44 Å²	44	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.9	175	-74.5	0	0	0	0	109.8	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.48Å; L225-V271 HydrophobicContact CB-CG2 4.22Å; L225-V271 PolarHBondContact N-O 3.18Å; L225-V271 PolarHBondContact O-N 3.39Å; W241-V271 HydrophobicContact CB-CG1 3.69Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 4Å; W241-V271 HydrophobicContact CG-CB 4.39Å; W241-V271 HydrophobicContact CG-CG1 3.64Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; W241-V271 HydrophobicContact CZ3-CG2 4.49Å; Q248-V271 HydrophobicContact CB-CG1 4.47Å; T252-V271 HydrophobicContact CG2-CG1 4.39Å; T252-V271 VanDerWaalsContact OG1-CG1 3.3Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.39Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V271-Y281 HydrophobicContact CG2-CD1 4.01Å; V271-Y281 HydrophobicContact CG2-CE1 4.44Å
272	V	97.3	Very high	95.9	Very high	74 Å²	74	41.6 Å²	41.6	45%	0.448	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.1	166.9	-178.3	0	0	0	0	108.1	L218 E222 A223	L218-V272 HydrophobicContact CD1-CG1 4.19Å; L218-V272 HydrophobicContact CD1-CG2 4.19Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; A223-V272 WeakPolarHBondContact O-CA 3.16Å
273	V	96.4	Very high	96.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.8	-176.5	-50.5	0	0	0	0	110.2	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.25Å; A223-V273 PolarHBondContact N-O 2.77Å; A223-V273 PolarHBondContact O-N 3.39Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.1Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CB-CG 4.49Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.61Å; V273-Y281 HydrophobicContact CG1-CG 3.64Å
274	P	96.1	Very high	96.4	Very high	46 Å²	46	37.1 Å²	37.1	30%	0.299	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.6	171.4	-19.6	32.1	0	0	0	111.1	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.43Å; P274-G276 PolarHBondContact O-N 3.35Å; P274-Q277 HydrophobicContact CB-CB 4.4Å; P274-Q277 HydrophobicContact CB-CG 4.17Å; P274-Q277 WeakPolarHBondContact O-CB 3.39Å; P274-Q277 PolarHBondContact O-N 3.17Å
275	S	92.3	Very high	96.4	Very high	55 Å²	55	36.8 Å²	36.8	39%	0.385	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	133.2	178.1	-60.7	0	0	0	0	111.8	H221 E222 Q277 E278	H221-S275 PolarHBondContact O-N 2.78Å; H221-S275 PolarHBondContact O-OG 2.89Å; E222-S275 PolarHBondContact N-OG 3.4Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; S275-E278 WeakPolarHBondContact CA-OE1 3.42Å
276	G	91.1	Very high	96.3	Very high	68 Å²	68	40.8 Å²	40.8	70%	0.701	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	0.5	-174.9	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.35Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 2.82Å; G276-E278 PolarHBondContact N-OE2 2.83Å
277	Q	94.6	Very high	96.2	Very high	67 Å²	67	39.1 Å²	39.1	31%	0.313	21%	0.212	S	C	.	.			trans	-108.2	4.7	174.6	-59.6	-166	45.9	0	0	113.4	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.4Å; P274-Q277 HydrophobicContact CB-CG 4.17Å; P274-Q277 WeakPolarHBondContact O-CB 3.39Å; P274-Q277 PolarHBondContact O-N 3.17Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; Q277-Q279 PolarHBondContact O-N 2.99Å; Q277-Q279 VanDerWaalsContact O-N 3.13Å; Q277-R280 WeakPolarHBondContact O-CB 3.24Å; Q277-R280 PolarHBondContact O-N 3.41Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.16Å
278	E	94.3	Very high	95.9	Very high	19 Å²	19	41.5 Å²	41.5	9%	0.089	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.3	-35.6	-172.8	-55.6	79.7	-175.4	0	0	112.4	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.4Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.42Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å; G276-E278 VanDerWaalsContact N-CD 3.27Å; G276-E278 PolarHBondContact N-OE1 2.82Å; G276-E278 PolarHBondContact N-OE2 2.83Å; E278-R280 PolarHBondContact O-N 3.5Å; E278-Y281 PolarHBondContact O-N 3.05Å; E278-Y281 VanDerWaalsContact O-N 3.14Å; E278-W298 HydrophobicContact CB-CD2 4.42Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.83Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279	Q	94.1	Very high	95.6	Very high	109 Å²	109	41.3 Å²	41.3	51%	0.509	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-69.9	-14.2	179	-61.8	-57.2	-42.4	0	0	114.4	Q277 Y281 W298	Q277-Q279 PolarHBondContact O-N 2.99Å; Q277-Q279 VanDerWaalsContact O-N 3.13Å; Q279-Y281 VanDerWaalsContact C-N 3.28Å; Q279-W298 PolarHBondContact NE2-O 3.12Å
280	R	95.9	Very high	95.4	Very high	111 Å²	111	42.1 Å²	42.1	42%	0.419	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-78.7	-16.7	172.9	-60.8	176.5	68.9	-176.2	8.4	112.1	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.42Å; R243-R280 HydrophobicContact CG-CB 4.33Å; D244-R280 PolarHBondContact N-O 3.42Å; D244-R280 IonicContact OD1-CZ 3.71Å; D244-R280 IonicContact OD1-NE 3.02Å; D244-R280 PolarHBondContact OD1-NE 2.84Å; D244-R280 IonicContact OD1-NH2 3.64Å; D244-R280 IonicContact OD2-CZ 3.13Å; D244-R280 IonicContact OD2-NE 3.78Å; D244-R280 PolarHBondContact OD2-NE 3.05Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 3.26Å; Q277-R280 WeakPolarHBondContact O-CB 3.24Å; Q277-R280 PolarHBondContact O-N 3.41Å; E278-R280 PolarHBondContact O-N 3.5Å
281	Y	97.1	Very high	95.1	Very high	11 Å²	11	51.2 Å²	51.2	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130	-177.7	-70.1	-101.1	0	0	0	110.5	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.22Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.94Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CD2 4.33Å; R243-Y281 HydrophobicContact CG-CE1 4.13Å; R243-Y281 HydrophobicContact CG-CE2 4Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å; V271-Y281 HydrophobicContact CG2-CD1 4.01Å; V271-Y281 HydrophobicContact CG2-CE1 4.44Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CB-CG 4.49Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.61Å; V273-Y281 HydrophobicContact CG1-CG 3.64Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.16Å; E278-Y281 PolarHBondContact O-N 3.05Å; E278-Y281 VanDerWaalsContact O-N 3.14Å; Q279-Y281 VanDerWaalsContact C-N 3.28Å
282	T	97.6	Very high	94.8	Very high	28 Å²	28	58.5 Å²	58.5	17%	0.172	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.6	178.3	51.6	0	0	0	0	110.2	Q242 H284 T295 L296	Q242-T282 PolarHBondContact N-O 2.82Å; Q242-T282 PolarHBondContact O-N 2.58Å; T282-H284 WeakPolarHBondContact CB-NE2 3.39Å; T282-H284 PolarHBondContact OG1-NE2 2.91Å; T282-T295 HydrophobicContact CG2-CG2 4.09Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.46Å
283	C	97.6	Very high	94.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123	173	175.2	0	0	0	0	108.9	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.06Å; T240-C283 CarbonylContact O-C 3.39Å; T240-C283 WeakPolarHBondContact O-CA 3.36Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.12Å; W241-C283 HydrophobicContact CH2-CB 4.09Å; W241-C283 HydrophobicContact CZ2-CB 4.13Å; W241-C283 HydrophobicContact CZ3-CB 4.08Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.28Å; C283-L296 HydrophobicContact CB-CB 4.32Å; C283-L296 PolarHBondContact N-O 2.99Å; C283-L296 PolarHBondContact O-N 3.04Å
284	H	96.9	Very high	94.6	Very high	64 Å²	64	61.4 Å²	61.4	30%	0.296	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.3	175.3	-70.2	-105.9	0	0	0	109.4	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.4Å; T240-H284 PolarHBondContact N-O 3.13Å; T240-H284 PolarHBondContact O-N 3.2Å; Q242-H284 PolarHBondContact OE1-NE2 3.18Å; T282-H284 WeakPolarHBondContact CB-NE2 3.39Å; T282-H284 PolarHBondContact OG1-NE2 2.91Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.44Å; H284-T295 PolarHBondContact CE1-OG1 3.36Å; H284-T295 PolarHBondContact ND1-OG1 3.2Å
285	M	96.3	Very high	94.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.4	-173.8	-170.6	176.2	-55.3	0	0	111.7	P209 T211 A229 I237 T238 L239 L290 P293 L294 L296	P209-M285 HydrophobicContact CB-SD 3.93Å; P209-M285 HydrophobicContact CG-SD 3.48Å; P209-M285 WeakPolarHBondContact CG-SD 3.18Å; T211-M285 HydrophobicContact CG2-CE 3.5Å; T211-M285 HydrophobicContact CG2-SD 3.38Å; T211-M285 WeakPolarHBondContact CG2-SD 3.24Å; A229-M285 HydrophobicContact CB-CE 3.79Å; A229-M285 HydrophobicContact CB-SD 3.86Å; I237-M285 HydrophobicContact CD1-CG 4.22Å; I237-M285 HydrophobicContact CD1-SD 4.07Å; I237-M285 HydrophobicContact CG1-CG 4.42Å; T238-M285 WeakPolarHBondContact O-CA 3.49Å; L239-M285 HydrophobicContact CD1-CE 4.03Å; L239-M285 HydrophobicContact CD1-CG 3.87Å; L239-M285 HydrophobicContact CD1-SD 4.23Å; L239-M285 HydrophobicContact CD2-CE 4.26Å; L239-M285 HydrophobicContact CG-CE 3.97Å; L239-M285 HydrophobicContact CG-CG 4.43Å; M285-L290 HydrophobicContact CG-CD1 4.32Å; M285-P293 WeakPolarHBondContact O-CA 3.44Å; M285-L294 HydrophobicContact CB-CB 4.37Å; M285-L294 PolarHBondContact N-O 2.79Å; M285-L294 PolarHBondContact O-N 3.49Å; M285-L296 HydrophobicContact CE-CD1 4.28Å
286	Q	96.3	Very high	94.7	Very high	109 Å²	109	61.7 Å²	61.7	51%	0.509	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.3	176	-58.3	179.9	9.8	0	0	109.9	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.41Å; T238-Q286 PolarHBondContact N-O 3.43Å; T238-Q286 PolarHBondContact O-N 3.49Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
287	H	95.3	Very high	94.9	Very high	9 Å²	9	61.3 Å²	61.3	4%	0.042	31%	0.309	C	S	.	.			trans	-159	145.9	-177.9	-175	-102.5	0	0	0	108.6	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.38Å; E207-H287 PolarHBondContact O-CE1 2.88Å; P209-H287 HydrophobicContact CG-CB 4.38Å; F232-H287 AromaticContact CD2-CD2 3.92Å; F232-H287 AromaticContact CD2-NE2 3.74Å; Y233-H287 PolarHBondContact O-CE1 2.86Å; P234-H287 PolarHBondContact O-NE2 3.39Å; E236-H287 PolarHBondContact O-CD2 2.9Å; E236-H287 VanDerWaalsContact O-CD2 3.26Å; I237-H287 HydrophobicContact CD1-CB 4.24Å; I237-H287 HydrophobicContact CG1-CB 4.04Å; H287-G289 PolarHBondContact ND1-N 3.06Å; H287-G289 PolarHBondContact O-N 3.06Å; H287-G289 VanDerWaalsContact O-N 3.16Å; H287-L290 HydrophobicContact CB-CD1 3.88Å; H287-L290 HydrophobicContact CB-CG 4.09Å; H287-L290 WeakPolarHBondContact O-CB 3.33Å; H287-L290 PolarHBondContact O-N 2.66Å
288	E	92.3	Very high	94.9	Very high	72 Å²	72	60.3 Å²	60.3	34%	0.336	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.3	-178	86	172.8	-167	0	0	113.5	W23 A206 P234 L290	W23-E288 VanDerWaalsContact CH2-O 3.25Å; W23-E288 WeakPolarHBondContact CH2-O 3.34Å; W23-E288 HydrophobicContact CZ3-CB 4.45Å; W23-E288 WeakPolarHBondContact CZ3-O 3.36Å; A206-E288 HydrophobicContact CB-CG 3.68Å; P234-E288 VanDerWaalsContact CD-OE1 3.24Å; P234-E288 WeakPolarHBondContact CD-OE1 3.5Å; P234-E288 HydrophobicContact CG-CG 4.13Å; E288-L290 PolarHBondContact O-N 2.89Å
289	G	92.2	Very high	94.5	Very high	20 Å²	20	67.3 Å²	67.3	21%	0.206	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.7	173.3	0	0	0	0	0	114.1	H287	H287-G289 PolarHBondContact ND1-N 3.06Å; H287-G289 PolarHBondContact O-N 3.06Å; H287-G289 VanDerWaalsContact O-N 3.16Å
290	L	93.9	Very high	93.9	Very high	17 Å²	17	65.4 Å²	65.4	9%	0.089	33%	0.333	C	S	.	.			trans	-104.8	108.7	-171.3	-64.4	174.2	0	0	0	112.1	W23 P208 P209 M285 H287 E288 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.5Å; W23-L290 WeakPolarHBondContact CZ2-O 3.24Å; P208-L290 HydrophobicContact CB-CD2 3.83Å; P208-L290 HydrophobicContact CB-CG 4.48Å; P209-L290 HydrophobicContact CG-CD1 3.91Å; P209-L290 HydrophobicContact CG-CD2 4.31Å; P209-L290 HydrophobicContact CG-CG 4.26Å; M285-L290 HydrophobicContact CG-CD1 4.32Å; H287-L290 HydrophobicContact CB-CD1 3.88Å; H287-L290 HydrophobicContact CB-CG 4.09Å; H287-L290 WeakPolarHBondContact O-CB 3.33Å; H287-L290 PolarHBondContact O-N 2.66Å; E288-L290 PolarHBondContact O-N 2.89Å; L290-E292 PolarHBondContact O-N 3Å; L290-L294 HydrophobicContact CD1-CD1 3.9Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 3.58Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; L290-L294 HydrophobicContact CG-CD1 4.39Å
291	Q	91	Very high	92.3	Very high	194 Å²	194	65 Å²	65	91%	0.907	35%	0.347	S	S	*	.	S	Bend	trans	-48.4	-34.4	-179.8	-66.5	-177.4	-6.8	0	0	114.4
292	E	91.9	Very high	90	Very high	156 Å²	156	69.8 Å²	69.8	73%	0.729	38%	0.382	S	S	*	.	S	Bend	trans	-137.9	152.2	170.3	-64.5	-176.3	174.5	0	0	109.1	L290 L294	L290-E292 PolarHBondContact O-N 3Å; E292-L294 PolarHBondContact O-N 2.71Å
293	P	94.1	Very high	87.5	Confident	75 Å²	75	76.1 Å²	76.1	49%	0.487	41%	0.41	S	S	.	.			trans	-53.1	133.6	172.8	-27.6	36.3	0	0	0	112.5	M285 Q286	M285-P293 WeakPolarHBondContact O-CA 3.44Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
294	L	94.9	Very high	84.9	Confident	59 Å²	59	81.2 Å²	81.2	31%	0.309	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	137.2	178	-68.9	178.3	0	0	0	111	T211 H284 M285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.24Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.44Å; M285-L294 HydrophobicContact CB-CB 4.37Å; M285-L294 PolarHBondContact N-O 2.79Å; M285-L294 PolarHBondContact O-N 3.49Å; L290-L294 HydrophobicContact CD1-CD1 3.9Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 3.58Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; L290-L294 HydrophobicContact CG-CD1 4.39Å; E292-L294 PolarHBondContact O-N 2.71Å
295	T	96.4	Very high	82.7	Confident	73 Å²	73	84.6 Å²	84.6	45%	0.448	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.3	167.6	-56.1	0	0	0	0	109	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.09Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.28Å; H284-T295 PolarHBondContact CE1-OG1 3.36Å; H284-T295 PolarHBondContact ND1-OG1 3.2Å
296	L	95.7	Very high	80.8	Confident	35 Å²	35	89.6 Å²	89.6	18%	0.183	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.9	-174.2	-58.9	164.2	0	0	0	110.1	T211 V213 T282 C283 M285	T211-L296 HydrophobicContact CG2-CD1 4.09Å; V213-L296 HydrophobicContact CG2-CB 3.99Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.46Å; C283-L296 HydrophobicContact CB-CB 4.32Å; C283-L296 PolarHBondContact N-O 2.99Å; C283-L296 PolarHBondContact O-N 3.04Å; M285-L296 HydrophobicContact CE-CD1 4.28Å
297	S	93.9	Very high	79	Confident	59 Å²	59	88.4 Å²	88.4	41%	0.413	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-96.1	166.6	165.1	56.7	0	0	0	0	110.5	E299	S297-E299 PolarHBondContact O-N 2.82Å
298	W	94.5	Very high	77.4	Confident	46 Å²	46	93.6 Å²	93.6	17%	0.174	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-74.4	123.9	166.4	169.2	60.2	0	0	0	110.2	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 HydrophobicContact CB-CG 4.19Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 VanDerWaalsContact CB-NE1 3.33Å; H215-W298 AromaticContact CG-CE2 3.84Å; H215-W298 AromaticContact CG-CZ2 3.85Å; L225-W298 HydrophobicContact CD1-CB 4.27Å; L225-W298 HydrophobicContact CD2-CB 3.77Å; L225-W298 HydrophobicContact CD2-CD2 4.35Å; L225-W298 HydrophobicContact CD2-CG 3.91Å; E278-W298 HydrophobicContact CB-CD2 4.42Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.83Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 3.12Å; W298-P300 HydrophobicContact CE3-CG 4.25Å; W298-P300 HydrophobicContact CH2-CB 4.1Å; W298-P300 HydrophobicContact CH2-CG 3.83Å; W298-P300 HydrophobicContact CZ2-CB 3.99Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 3.91Å
299	E	87.4	Confident	75.8	Confident	166 Å²	166	98.1 Å²	98.1	78%	0.776	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-102.5	118.3	173.5	-159.1	164.4	-144.5	0	0	109.5	S297 S301	S297-E299 PolarHBondContact O-N 2.82Å; E299-S301 PolarHBondContact O-N 3.47Å
300	P	80.4	Confident	74.6	Confident	69 Å²	69	99.3 Å²	99.3	45%	0.448	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-60.1	126.6	176.3	-20.7	31.3	0	0	0	109.7	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.25Å; W298-P300 HydrophobicContact CH2-CB 4.1Å; W298-P300 HydrophobicContact CH2-CG 3.83Å; W298-P300 HydrophobicContact CZ2-CB 3.99Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 3.91Å; P300-S302 PolarHBondContact O-N 2.99Å
301	S	63	Low	73.7	Confident	103 Å²	103	103 Å²	103	72%	0.72	58%	0.576	S	S	*	*			trans	-60.9	108	-171.5	73.1	0	0	0	0	110.9	E299 Q303	E299-S301 PolarHBondContact O-N 3.47Å; S301-Q303 PolarHBondContact O-N 2.87Å
302	S	47.9	Very low	72.9	Confident	111 Å²	111	98 Å²	98	78%	0.776	56%	0.559	S	S	*	*			trans	-75.4	65.9	170.5	64.9	0	0	0	0	109.5	P300 P304	P300-S302 PolarHBondContact O-N 2.99Å; S302-P304 WeakPolarHBondContact O-CD 3.39Å
303	Q	44.4	Very low	72.1	Confident	162 Å²	162	93 Å²	93	76%	0.757	55%	0.545	S	S	*	.			trans	-62.5	113.6	154.8	-76.7	-165.8	-10.5	0	0	105.6	S301 T305	S301-Q303 PolarHBondContact O-N 2.87Å; Q303-T305 PolarHBondContact O-N 3.33Å
304	P	44.3	Very low	71.5	Confident	106 Å²	106	91.1 Å²	91.1	69%	0.688	54%	0.539	S	S	*	.			trans	-62.5	116.6	168.2	27.6	-31.1	0	0	0	105.4	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.39Å; P304-I306 PolarHBondContact O-N 3.33Å
305	T	51.2	Low	71	Confident	135 Å²	135	93.1 Å²	93.1	83%	0.828	55%	0.549	S	S	*	.			trans	-64.3	85.5	166.5	-48.5	0	0	0	0	106.4	Q303 P307	Q303-T305 PolarHBondContact O-N 3.33Å; T305-P307 WeakPolarHBondContact O-CD 3.5Å
306	I	56	Low	70.3	Confident	105 Å²	105	92.1 Å²	92.1	54%	0.538	55%	0.548	S	S	.	.			trans	-48.5	121.2	171.5	-65.3	171.6	0	0	0	104.3	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.33Å; I306-I308 HydrophobicContact CB-CG1 4.44Å; I306-I308 HydrophobicContact CG2-CG1 4.14Å; I306-I308 PolarHBondContact O-N 2.7Å; I306-I311 HydrophobicContact CG2-CD1 4.09Å
307	P	58.3	Low	69.8	Low	85 Å²	85	94.6 Å²	94.6	55%	0.552	57%	0.565	S	S	*	*			trans	-76.7	70.9	-172.9	30.5	-35.3	0	0	0	108.5	T305 M309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.5Å; P307-M309 PolarHBondContact O-N 3.49Å; P307-G310 CarbonylContact O-C 3.52Å; P307-G310 WeakPolarHBondContact O-CA 3.28Å; P307-G310 PolarHBondContact O-N 2.75Å; P307-I311 PolarHBondContact O-N 3.12Å
308	I	62.5	Low	69.3	Low	117 Å²	117	97.2 Å²	97.2	60%	0.6	57%	0.573	S	S	*	*	H	α-helix	trans	-54.2	-39.6	178.7	-66.7	165.9	0	0	0	108.6	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.44Å; I306-I308 HydrophobicContact CG2-CG1 4.14Å; I306-I308 PolarHBondContact O-N 2.7Å; I308-G310 PolarHBondContact O-N 3.27Å; I308-I311 PolarHBondContact O-N 3.17Å; I308-V312 HydrophobicContact CG2-CG2 4.34Å; I308-V312 WeakPolarHBondContact O-CB 2.98Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.38Å; I308-V312 PolarHBondContact O-N 2.78Å
309	M	58.4	Low	68.8	Low	167 Å²	167	99.3 Å²	99.3	82%	0.823	59%	0.591	S	S	*	*	H	α-helix	trans	-64.3	-34.5	174	-170	148.1	58.2	0	0	113.5	P307 A313	P307-M309 PolarHBondContact O-N 3.49Å; M309-A313 VanDerWaalsContact O-CB 3.23Å; M309-A313 WeakPolarHBondContact O-CB 3.43Å; M309-A313 PolarHBondContact O-N 3.43Å
310	G	66.9	Low	68.7	Low	45 Å²	45	95.4 Å²	95.4	46%	0.464	58%	0.579	S	S	.	*	H	α-helix	trans	-71.1	-39.8	173.5	0	0	0	0	0	113	P307 I308 G314	P307-G310 CarbonylContact O-C 3.52Å; P307-G310 WeakPolarHBondContact O-CA 3.28Å; P307-G310 PolarHBondContact O-N 2.75Å; I308-G310 PolarHBondContact O-N 3.27Å; G310-G314 PolarHBondContact O-N 3.14Å
311	I	74.1	Confident	68.9	Low	94 Å²	94	97.1 Å²	97.1	48%	0.482	58%	0.583	S	S	.	*	H	α-helix	trans	-66.5	-44.9	175.4	-63.5	169.7	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.09Å; P307-I311 PolarHBondContact O-N 3.12Å; I308-I311 PolarHBondContact O-N 3.17Å; I311-G314 PolarHBondContact O-N 3.21Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 WeakPolarHBondContact O-CB 3.37Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 3.37Å
312	V	74.9	Confident	69.8	Low	90 Å²	90	95.4 Å²	95.4	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-63.8	-43.3	176.6	169.8	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.34Å; I308-V312 WeakPolarHBondContact O-CB 2.98Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.38Å; I308-V312 PolarHBondContact O-N 2.78Å; V312-L315 PolarHBondContact O-N 2.91Å; V312-A316 WeakPolarHBondContact O-CB 3.48Å; V312-A316 PolarHBondContact O-N 3.33Å
313	A	75.3	Confident	71.4	Confident	52 Å²	52	94.2 Å²	94.2	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-62.7	-44.3	174.9	0	0	0	0	0	112.1	M309 A316 V317	M309-A313 VanDerWaalsContact O-CB 3.23Å; M309-A313 WeakPolarHBondContact O-CB 3.43Å; M309-A313 PolarHBondContact O-N 3.43Å; A313-A316 PolarHBondContact O-N 2.98Å; A313-V317 VanDerWaalsContact O-CG2 3.3Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 3.24Å
314	G	81	Confident	73.2	Confident	35 Å²	35	91.1 Å²	91.1	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-61.5	-43.6	176.5	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.14Å; I311-G314 PolarHBondContact O-N 3.21Å; G314-V317 PolarHBondContact O-N 2.91Å; G314-L318 PolarHBondContact O-N 3.41Å
315	L	84.4	Confident	74.9	Confident	101 Å²	101	87.8 Å²	87.8	53%	0.529	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-42.1	174.9	-75.4	168.9	0	0	0	112.1	I311 V312 V317 L318 V319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 WeakPolarHBondContact O-CB 3.37Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 3.37Å; V312-L315 PolarHBondContact O-N 2.91Å; L315-V317 PolarHBondContact O-N 3.15Å; L315-L318 PolarHBondContact O-N 3.32Å; L315-V319 WeakPolarHBondContact O-CG2 3.42Å; L315-V319 PolarHBondContact O-N 3.07Å
316	A	81.8	Confident	76.2	Confident	52 Å²	52	84.1 Å²	84.1	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-61	-43.7	176.3	0	0	0	0	0	111.8	V312 A313 V319 V320	V312-A316 WeakPolarHBondContact O-CB 3.48Å; V312-A316 PolarHBondContact O-N 3.33Å; A313-A316 PolarHBondContact O-N 2.98Å; A316-V319 PolarHBondContact O-N 2.89Å; A316-V320 WeakPolarHBondContact O-CG2 3.44Å; A316-V320 PolarHBondContact O-N 3.34Å
317	V	84.9	Confident	77.2	Confident	86 Å²	86	82.7 Å²	82.7	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-63.2	-43.2	175.5	173.9	0	0	0	0	111.5	A313 G314 L315 V319 V320 L321	A313-V317 VanDerWaalsContact O-CG2 3.3Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 3.24Å; G314-V317 PolarHBondContact O-N 2.91Å; L315-V317 PolarHBondContact O-N 3.15Å; V317-V319 PolarHBondContact O-N 3.07Å; V317-V320 PolarHBondContact O-N 3.22Å; V317-L321 HydrophobicContact CG1-CD1 3.92Å; V317-L321 HydrophobicContact CG1-CG 4.35Å; V317-L321 WeakPolarHBondContact O-CB 3.35Å; V317-L321 WeakPolarHBondContact O-CG 3.32Å; V317-L321 PolarHBondContact O-N 2.99Å
318	L	83.9	Confident	78.1	Confident	114 Å²	114	82.5 Å²	82.5	60%	0.597	51%	0.512	S	S	*	.	H	α-helix	trans	-60.9	-42.3	176.1	-83.4	164.6	0	0	0	112.6	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.41Å; L315-L318 PolarHBondContact O-N 3.32Å; L318-L321 PolarHBondContact O-N 3.32Å; L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 3.32Å
319	V	84.2	Confident	78.5	Confident	91 Å²	91	81 Å²	81	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-63.8	-44.5	175.8	171.4	0	0	0	0	111	L315 A316 V317 L321 A322 V323	L315-V319 WeakPolarHBondContact O-CG2 3.42Å; L315-V319 PolarHBondContact O-N 3.07Å; A316-V319 PolarHBondContact O-N 2.89Å; V317-V319 PolarHBondContact O-N 3.07Å; V319-L321 PolarHBondContact O-N 3.11Å; V319-A322 PolarHBondContact O-N 2.65Å; V319-V323 WeakPolarHBondContact O-CG2 3.2Å; V319-V323 PolarHBondContact O-N 2.71Å
320	V	84.3	Confident	79.1	Confident	84 Å²	84	75.7 Å²	75.7	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.7	170.3	0	0	0	0	111.3	A316 V317 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.44Å; A316-V320 PolarHBondContact O-N 3.34Å; V317-V320 PolarHBondContact O-N 3.22Å; V320-V323 PolarHBondContact O-N 2.75Å; V320-L324 HydrophobicContact CG1-CD1 3.89Å; V320-L324 HydrophobicContact CG1-CG 4.43Å; V320-L324 WeakPolarHBondContact O-CB 3.4Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.33Å; V320-L324 PolarHBondContact O-N 3.47Å
321	L	84.6	Confident	79.2	Confident	105 Å²	105	79.7 Å²	79.7	55%	0.55	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-40	176.8	-71.9	172	0	0	0	112.4	V317 L318 V319 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.92Å; V317-L321 HydrophobicContact CG1-CG 4.35Å; V317-L321 WeakPolarHBondContact O-CB 3.35Å; V317-L321 WeakPolarHBondContact O-CG 3.32Å; V317-L321 PolarHBondContact O-N 2.99Å; L318-L321 PolarHBondContact O-N 3.32Å; V319-L321 PolarHBondContact O-N 3.11Å; L321-L324 PolarHBondContact O-N 2.84Å; L321-G325 PolarHBondContact O-N 3.25Å
322	A	82.2	Confident	78.9	Confident	66 Å²	66	81.5 Å²	81.5	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-42.9	175.9	0	0	0	0	0	112.1	L318 V319 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 3.32Å; V319-A322 PolarHBondContact O-N 2.65Å; A322-G325 PolarHBondContact O-N 2.7Å; A322-A326 WeakPolarHBondContact O-CB 3.03Å; A322-A326 PolarHBondContact O-N 3.3Å
323	V	82.3	Confident	78.2	Confident	86 Å²	86	81 Å²	81	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-45	175.5	171.4	0	0	0	0	111	V319 V320 A326 V327	V319-V323 WeakPolarHBondContact O-CG2 3.2Å; V319-V323 PolarHBondContact O-N 2.71Å; V320-V323 PolarHBondContact O-N 2.75Å; V323-A326 PolarHBondContact O-N 2.9Å; V323-V327 HydrophobicContact CG1-CG2 4.49Å; V323-V327 WeakPolarHBondContact O-CG2 3.37Å; V323-V327 PolarHBondContact O-N 3.03Å
324	L	81.2	Confident	77.4	Confident	98 Å²	98	88.3 Å²	88.3	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-62.4	-43.2	176.3	-71.3	171.1	0	0	0	111.8	V320 L321 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.89Å; V320-L324 HydrophobicContact CG1-CG 4.43Å; V320-L324 WeakPolarHBondContact O-CB 3.4Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.33Å; V320-L324 PolarHBondContact O-N 3.47Å; L321-L324 PolarHBondContact O-N 2.84Å; L324-V327 PolarHBondContact O-N 2.97Å; L324-V328 WeakPolarHBondContact O-CG2 3.28Å; L324-V328 PolarHBondContact O-N 3.29Å
325	G	79.6	Confident	76.2	Confident	35 Å²	35	97 Å²	97	36%	0.361	55%	0.546	S	S	.	.	H	α-helix	trans	-60.4	-43.2	174.4	0	0	0	0	0	112.9	L321 A322 V328 T329	L321-G325 PolarHBondContact O-N 3.25Å; A322-G325 PolarHBondContact O-N 2.7Å; G325-V328 PolarHBondContact O-N 3.17Å; G325-T329 WeakPolarHBondContact O-CB 3.15Å; G325-T329 PolarHBondContact O-N 2.72Å; G325-T329 PolarHBondContact O-OG1 3.17Å
326	A	78.6	Confident	74.5	Confident	58 Å²	58	101.1 Å²	101.1	48%	0.479	56%	0.559	S	S	.	*	H	α-helix	trans	-64	-42.6	174.8	0	0	0	0	0	112.4	A322 V323 T329 A330	A322-A326 WeakPolarHBondContact O-CB 3.03Å; A322-A326 PolarHBondContact O-N 3.3Å; V323-A326 PolarHBondContact O-N 2.9Å; A326-T329 PolarHBondContact O-N 3.18Å; A326-A330 VanDerWaalsContact O-CB 3.31Å; A326-A330 WeakPolarHBondContact O-CB 3.3Å; A326-A330 PolarHBondContact O-N 2.96Å
327	V	77.9	Confident	73	Confident	76 Å²	76	103.1 Å²	103.1	46%	0.461	57%	0.571	S	S	.	*	H	α-helix	trans	-64.2	-45.4	176.5	169.8	0	0	0	0	111.4	V323 L324 T329 A330 M331	V323-V327 HydrophobicContact CG1-CG2 4.49Å; V323-V327 WeakPolarHBondContact O-CG2 3.37Å; V323-V327 PolarHBondContact O-N 3.03Å; L324-V327 PolarHBondContact O-N 2.97Å; V327-T329 VanDerWaalsContact C-N 3.34Å; V327-T329 PolarHBondContact O-N 2.88Å; V327-A330 PolarHBondContact O-N 3.49Å; V327-M331 HydrophobicContact CG1-CG 4.43Å; V327-M331 WeakPolarHBondContact O-CB 3.46Å; V327-M331 VanDerWaalsContact O-CG 3.28Å; V327-M331 WeakPolarHBondContact O-CG 3.3Å; V327-M331 PolarHBondContact O-N 3.36Å
328	V	76.5	Confident	71.3	Confident	80 Å²	80	104.1 Å²	104.1	49%	0.485	58%	0.581	S	S	.	*	H	α-helix	trans	-61	-44.7	175.8	170.4	0	0	0	0	110.6	L324 G325 M331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.28Å; L324-V328 PolarHBondContact O-N 3.29Å; G325-V328 PolarHBondContact O-N 3.17Å; V328-M331 PolarHBondContact O-N 2.98Å; V328-M332 HydrophobicContact CG1-CG 4.48Å; V328-M332 HydrophobicContact CG1-SD 4.14Å; V328-M332 WeakPolarHBondContact O-CG 3.5Å; V328-M332 PolarHBondContact O-N 3.36Å
329	T	71.8	Confident	69.1	Low	85 Å²	85	101.7 Å²	101.7	52%	0.521	58%	0.584	S	S	.	*	H	α-helix	trans	-61.9	-47.3	177.9	-55.2	0	0	0	0	111.2	G325 A326 V327 M331 M332 C333	G325-T329 WeakPolarHBondContact O-CB 3.15Å; G325-T329 PolarHBondContact O-N 2.72Å; G325-T329 PolarHBondContact O-OG1 3.17Å; A326-T329 PolarHBondContact O-N 3.18Å; V327-T329 VanDerWaalsContact C-N 3.34Å; V327-T329 PolarHBondContact O-N 2.88Å; T329-M331 VanDerWaalsContact C-N 3.34Å; T329-M331 PolarHBondContact O-N 3Å; T329-M332 PolarHBondContact O-N 3.2Å; T329-C333 PolarHBondContact O-N 3.38Å; T329-C333 PolarHBondContact O-SG 3.07Å; T329-C333 VanDerWaalsContact O-SG 3.36Å
330	A	70.9	Confident	66.8	Low	57 Å²	57	101 Å²	101	47%	0.471	60%	0.595	S	S	.	*	H	α-helix	trans	-62.7	-37.8	176.3	0	0	0	0	0	112.7	A326 V327 R334	A326-A330 VanDerWaalsContact O-CB 3.31Å; A326-A330 WeakPolarHBondContact O-CB 3.3Å; A326-A330 PolarHBondContact O-N 2.96Å; V327-A330 PolarHBondContact O-N 3.49Å; A330-R334 WeakPolarHBondContact O-CB 3.43Å; A330-R334 PolarHBondContact O-N 3.19Å
331	M	69.1	Low	64.5	Low	128 Å²	128	107.6 Å²	107.6	63%	0.631	62%	0.617	S	S	*	*	H	α-helix	trans	-67.3	-40.8	173.7	-73.2	-133.5	-69.8	0	0	112.1	V327 V328 T329 R334 R335	V327-M331 HydrophobicContact CG1-CG 4.43Å; V327-M331 WeakPolarHBondContact O-CB 3.46Å; V327-M331 VanDerWaalsContact O-CG 3.28Å; V327-M331 WeakPolarHBondContact O-CG 3.3Å; V327-M331 PolarHBondContact O-N 3.36Å; V328-M331 PolarHBondContact O-N 2.98Å; T329-M331 VanDerWaalsContact C-N 3.34Å; T329-M331 PolarHBondContact O-N 3Å; M331-R334 PolarHBondContact O-N 2.94Å; M331-R335 WeakPolarHBondContact O-CB 3.46Å; M331-R335 PolarHBondContact O-N 2.86Å
332	M	68.4	Low	62	Low	132 Å²	132	106.5 Å²	106.5	65%	0.65	63%	0.631	S	S	*	*	H	α-helix	trans	-66.5	-39.7	175.1	-69.5	-176.6	81.7	0	0	111.9	V328 T329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.48Å; V328-M332 HydrophobicContact CG1-SD 4.14Å; V328-M332 WeakPolarHBondContact O-CG 3.5Å; V328-M332 PolarHBondContact O-N 3.36Å; T329-M332 PolarHBondContact O-N 3.2Å; M332-R335 PolarHBondContact O-N 2.7Å; M332-K336 WeakPolarHBondContact O-CB 3.24Å; M332-K336 PolarHBondContact O-N 3.17Å
333	C	59.7	Low	59.6	Low	81 Å²	81	107.6 Å²	107.6	55%	0.547	65%	0.649	S	S	.	*	H	α-helix	trans	-60.9	-45.5	171.3	-71.3	0	0	0	0	111.9	T329 R335 K336 S337	T329-C333 PolarHBondContact O-N 3.38Å; T329-C333 PolarHBondContact O-SG 3.07Å; T329-C333 VanDerWaalsContact O-SG 3.36Å; C333-R335 VanDerWaalsContact C-N 3.35Å; C333-R335 PolarHBondContact O-N 2.93Å; C333-K336 PolarHBondContact O-N 3.39Å; C333-K336 VanDerWaalsContact O-N 3.17Å; C333-S337 PolarHBondContact O-N 3.14Å; C333-S337 PolarHBondContact O-OG 3.11Å
334	R	58.5	Low	57.4	Low	205 Å²	205	108.8 Å²	108.8	77%	0.774	66%	0.661	S	S	*	*	H	α-helix	trans	-65.4	-33.4	175.5	-82.8	-174	163.7	-173.6	-4.2	113.5	A330 M331 K336 S337	A330-R334 WeakPolarHBondContact O-CB 3.43Å; A330-R334 PolarHBondContact O-N 3.19Å; M331-R334 PolarHBondContact O-N 2.94Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-S337 PolarHBondContact O-OG 2.85Å; R334-S337 VanDerWaalsContact O-OG 3.14Å
335	R	54.9	Low	55	Low	218 Å²	218	109.8 Å²	109.8	82%	0.823	68%	0.675	S	S	*	*	H	α-helix	trans	-72.8	-23.1	174.2	-134.9	176	-172.3	177.2	1.5	112.7	M331 M332 C333	M331-R335 WeakPolarHBondContact O-CB 3.46Å; M331-R335 PolarHBondContact O-N 2.86Å; M332-R335 PolarHBondContact O-N 2.7Å; C333-R335 VanDerWaalsContact C-N 3.35Å; C333-R335 PolarHBondContact O-N 2.93Å
336	K	48.8	Very low	52.8	Low	186 Å²	186	113 Å²	113	81%	0.809	69%	0.692	S	S	*	*	H	α-helix	trans	-91.8	-15.6	178.2	-162.4	164.5	-177.5	176.2	0	113.5	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.24Å; M332-K336 PolarHBondContact O-N 3.17Å; C333-K336 PolarHBondContact O-N 3.39Å; C333-K336 VanDerWaalsContact O-N 3.17Å; R334-K336 VanDerWaalsContact C-N 3.3Å
337	S	50.5	Low	50.8	Low	95 Å²	95	119.3 Å²	119.3	66%	0.664	71%	0.712	S	S	*	*	S	Bend	trans	-88.1	-1	177.1	57.7	0	0	0	0	115.2	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.14Å; C333-S337 PolarHBondContact O-OG 3.11Å; R334-S337 PolarHBondContact O-OG 2.85Å; R334-S337 VanDerWaalsContact O-OG 3.14Å; S337-G339 VanDerWaalsContact C-N 3.34Å; S337-G339 PolarHBondContact O-N 2.86Å
338	S	48.8	Very low	48.6	Very low	106 Å²	106	119.9 Å²	119.9	74%	0.741	72%	0.724	S	S	*	*	S	Bend	trans	-93.4	29.3	177.2	72.5	0	0	0	0	114
339	G	38.5	Very low	46.3	Very low	64 Å²	64	120.8 Å²	120.8	66%	0.66	74%	0.74	S	S	*	*	S	Bend	trans	-161.8	101.4	-178.2	0	0	0	0	0	115.4	S337	S337-G339 VanDerWaalsContact C-N 3.34Å; S337-G339 PolarHBondContact O-N 2.86Å
340	G	36.5	Very low	44.6	Very low	76 Å²	76	122.7 Å²	122.7	78%	0.784	76%	0.756	S	S	*	*			trans	85.3	78	143.8	0	0	0	0	0	120.2
341	K	34.8	Very low	42.8	Very low	222 Å²	222	125.9 Å²	125.9	97%	0.965	77%	0.774	S	S	*	*				42.7	116.1	115.7	-164.3	169.6	-173.2	172.7	0	119.9
342	G	32.8	Very low	41.3	Very low	83 Å²	83	127.3 Å²	127.3	86%	0.856	79%	0.785	S	S	*	*			trans	140.5	140.7	142.4	0	0	0	0	0	118
343	G	31.6	Very low	40	Very low	89 Å²	89	126.7 Å²	126.7	92%	0.918	79%	0.793	S	S	*	*			trans	113.1	125.2	157.5	0	0	0	0	0	116.6
344	S	35.1	Very low	39.1	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	80%	0.804	S	S	*	*			trans	-124	150.4	179.7	177.5	0	0	0	0	110.8
345	C	32.2	Very low	38.1	Very low	119 Å²	119	126.9 Å²	126.9	80%	0.804	81%	0.811	S	S	*	*			trans	46.4	153.8	157.8	-76.5	0	0	0	0	120.3
346	S	32.9	Very low	36.9	Very low	104 Å²	104	119.3 Å²	119.3	73%	0.727	80%	0.801	S	S	*	*			cis	-159	167	26.9	13.9	0	0	0	0	113.2
347	Q	36.2	Very low	36.4	Very low	190 Å²	190	115.7 Å²	115.7	89%	0.888	80%	0.799	S	S	*	*			trans	1.8	153.8	141.3	-93.1	175.4	-43.4	0	0	119.9
348	A	31.2	Very low	35.6	Very low	87 Å²	87	117.8 Å²	117.8	72%	0.719	80%	0.803	S	S	*	*			cis	-164.5	169.7	6.1	0	0	0	0	0	110.4
349	A	29.9	Very low	34.8	Very low	99 Å²	99	120.9 Å²	120.9	82%	0.818	81%	0.806	S	S	*	*				171	127.8	121.3	0	0	0	0	0	111.9
350	C	35.9	Very low	34.5	Very low	126 Å²	126	122.1 Å²	122.1	85%	0.851	80%	0.804	S	S	*	*			trans	-93.4	161.9	163.1	-58.5	0	0	0	0	110
351	S	31.8	Very low	34.4	Very low	123 Å²	123	125.6 Å²	125.6	86%	0.86	80%	0.804	S	S	*	*			trans	-142.9	122.6	153.9	17.1	0	0	0	0	110.9
352	N	37.3	Very low	34.3	Very low	159 Å²	159	121.8 Å²	121.8	85%	0.85	79%	0.793	S	S	*	*			trans	-112.8	148.3	171.4	-87.4	-16.3	0	0	0	109.1
353	S	43	Very low	34.2	Very low	119 Å²	119	124.6 Å²	124.6	83%	0.832	79%	0.793	S	S	*	*			trans	-164.4	117.5	141.7	-17.4	0	0	0	0	107.4
354	A	39.9	Very low	34.4	Very low	93 Å²	93	126.1 Å²	126.1	77%	0.769	79%	0.789	S	S	*	*				75.4	141.2	83.2	0	0	0	0	0	112.2
355	Q	36.7	Very low	34.3	Very low	196 Å²	196	130.4 Å²	130.4	92%	0.916	79%	0.793	S	S	*	*			cis	-163.6	161.9	14	-155.2	164.3	-25.3	0	0	107.9
356	G	30.2	Very low	34.5	Very low	60 Å²	60	132.8 Å²	132.8	62%	0.619	82%	0.822	S	S	*	*			cis	154.1	145.3	-7.3	0	0	0	0	0	111.4
357	S	37.7	Very low	34.6	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	83%	0.827	S	S	*	*			trans	68.2	153.4	168	-67.1	0	0	0	0	118.5
358	D	34.9	Very low	34.5	Very low	139 Å²	139	131.3 Å²	131.3	74%	0.743	82%	0.823	S	S	*	*			cis	-154	149.9	-10.7	-93.7	-24.5	0	0	0	111.5
359	E	32.1	Very low	34.7	Very low	171 Å²	171	133.8 Å²	133.8	80%	0.799	83%	0.829	S	S	*	*				44.7	123	128.7	-136.6	173.5	-163	0	0	125.3
360	S	32.9	Very low	35	Very low	90 Å²	90	135.8 Å²	135.8	63%	0.629	83%	0.83	S	S	*	*			trans	36.4	130.8	147.8	75.3	0	0	0	0	123.2
361	L	33.1	Very low	34.9	Very low	148 Å²	148	136.4 Å²	136.4	78%	0.775	83%	0.828	S	S	*	*				177.6	129.1	105	-94.1	164.1	0	0	0	114.1
362	I	33.3	Very low	35.1	Very low	143 Å²	143	137.3 Å²	137.3	73%	0.733	83%	0.826	S	S	*	*			trans	25.7	123.5	141.7	-60.6	173	0	0	0	119.5
363	T	29.5	Very low	35	Very low	141 Å²	141	135.8 Å²	135.8	87%	0.865	83%	0.825	S	S	*	*				-162.6	134	118.8	10.5	0	0	0	0	112.1
364	C	36.3	Very low	34.3	Very low	122 Å²	122	137.1 Å²	137.1	82%	0.824	82%	0.824	S	S	*	*			trans	-113.7	139.2	170.7	-83.8	0	0	0	0	109.8
365	K	34.4	Very low	33.9	Very low	199 Å²	199	140.8 Å²	140.8	87%	0.865	83%	0.829	S	S	*	*			trans	57.6	124.9	160.7	-71.2	-174	170.1	-175.5	0	119.1
366	A	35.5	Very low	33.6	Very low	170 Å²	170	135.7 Å²	135.7	100%	1.405	82%	0.821	S	S	*	*				-110.8	0	91.5	0	0	0	0	0	107.7

Retrieved 366 of 366 residues in 1547.6 ms (Link to these results)

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