A0A077ZGS7_TRITR Loading...

Complement component C8 beta chain

AlphaFold DB , UniProt , Accession A0A077ZGS7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 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	36.6	Very low	51.6	Low	238 Å²	238	124.8 Å²	124.8	100%	1.172	70%	0.701	S	S	*	*				0	108.7	0	-60.4	-163.4	-173.1	0	0	104.9	D3	M1-D3 PolarHBondContact O-N 3.35Å
2	A	40.1	Very low	55.5	Low	95 Å²	95	116 Å²	116	79%	0.785	65%	0.651	S	S	*	*			trans	-81.1	101.8	167.2	0	0	0	0	0	104.1	T4	A2-T4 PolarHBondContact O-N 2.96Å
3	D	41.9	Very low	58.7	Low	155 Å²	155	116.2 Å²	116.2	83%	0.829	65%	0.65	S	S	*	*			trans	-62.5	88.4	153.5	-81.4	-26.9	0	0	0	104.8	M1 D5	M1-D3 PolarHBondContact O-N 3.35Å; D3-D5 PolarHBondContact O-N 2.91Å
4	T	43.1	Very low	61.5	Low	106 Å²	106	107.9 Å²	107.9	65%	0.65	60%	0.603	S	S	*	*			trans	-68.5	78.5	146.1	20.5	0	0	0	0	105	A2 L6	A2-T4 PolarHBondContact O-N 2.96Å; T4-L6 PolarHBondContact O-N 3.47Å
5	D	41.7	Very low	64	Low	136 Å²	136	104.3 Å²	104.3	73%	0.727	59%	0.586	S	S	*	*			trans	-58.4	90.1	151.2	-174.1	11.9	0	0	0	104	D3 S7	D3-D5 PolarHBondContact O-N 2.91Å; D5-S7 PolarHBondContact O-N 2.74Å
6	L	44.8	Very low	66.1	Low	108 Å²	108	102.1 Å²	102.1	57%	0.565	57%	0.572	S	S	*	*			trans	-65.9	73.9	169.9	-84.5	159.5	0	0	0	105.2	T4 T8	T4-L6 PolarHBondContact O-N 3.47Å; L6-T8 VanDerWaalsContact C-N 3.28Å; L6-T8 PolarHBondContact O-N 2.84Å
7	S	43.4	Very low	68	Low	89 Å²	89	97.9 Å²	97.9	62%	0.622	55%	0.547	S	S	*	.			trans	-57.3	97.8	175.3	63.3	0	0	0	0	106.7	D5 N9	D5-S7 PolarHBondContact O-N 2.74Å; S7-N9 PolarHBondContact O-N 2.77Å
8	T	44.6	Very low	69.6	Low	127 Å²	127	95.8 Å²	95.8	78%	0.779	54%	0.535	S	S	*	.			trans	39.1	82.3	169.1	56.3	0	0	0	0	112.5	L6 Q10	L6-T8 VanDerWaalsContact C-N 3.28Å; L6-T8 PolarHBondContact O-N 2.84Å; T8-Q10 PolarHBondContact O-N 3.39Å
9	N	54.9	Low	71.1	Confident	81 Å²	81	90.8 Å²	90.8	43%	0.433	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-47	116.2	158.8	-116.1	-4.1	0	0	0	106.5	S7 L11	S7-N9 PolarHBondContact O-N 2.77Å; N9-L11 PolarHBondContact O-N 2.6Å
10	Q	81.3	Confident	72.4	Confident	181 Å²	181	91.7 Å²	91.7	85%	0.846	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-56	117.3	-171.7	-177.9	177.5	2.4	0	0	108	T8 L12	T8-Q10 PolarHBondContact O-N 3.39Å; Q10-L12 PolarHBondContact O-N 2.92Å
11	L	95.5	Very high	73.3	Confident	57 Å²	57	88.4 Å²	88.4	30%	0.298	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-52.9	134.7	176.7	-60	-179.1	0	0	0	109.2	N9 D13 Y175 N184	N9-L11 PolarHBondContact O-N 2.6Å; L11-D13 PolarHBondContact O-N 2.76Å; L11-Y175 HydrophobicContact CD1-CD1 3.87Å; L11-Y175 HydrophobicContact CD1-CE1 4.37Å; L11-Y175 HydrophobicContact CD1-CG 4.2Å; L11-Y175 HydrophobicContact CD2-CD1 3.92Å; L11-Y175 HydrophobicContact CD2-CD2 3.57Å; L11-Y175 HydrophobicContact CD2-CE1 4.43Å; L11-Y175 HydrophobicContact CD2-CE2 4.14Å; L11-Y175 HydrophobicContact CD2-CG 3.45Å; L11-Y175 VanDerWaalsContact CD2-CG 3.45Å; L11-Y175 HydrophobicContact CG-CG 4.49Å; L11-N184 HydrophobicContact CD1-CB 3.91Å
12	L	97.8	Very high	75.5	Confident	19 Å²	19	80.7 Å²	80.7	10%	0.099	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-65.5	125.2	176.6	-55.4	173.3	0	0	0	108.2	Q10 V14 Y41 I123 P128 T167	Q10-L12 PolarHBondContact O-N 2.92Å; L12-V14 HydrophobicContact CB-CG2 4.25Å; L12-V14 PolarHBondContact O-N 3.35Å; L12-Y41 HydrophobicContact CB-CE2 4.29Å; L12-I123 HydrophobicContact CD1-CG2 4.45Å; L12-P128 HydrophobicContact CD1-CB 3.9Å; L12-P128 HydrophobicContact CD1-CG 4.41Å; L12-T167 WeakPolarHBondContact CB-O 3.17Å; L12-T167 VanDerWaalsContact CG-O 3.3Å; L12-T167 WeakPolarHBondContact CG-O 3.4Å; L12-T167 PolarHBondContact N-O 2.9Å
13	D	97.3	Very high	77.8	Confident	119 Å²	119	85.1 Å²	85.1	64%	0.636	48%	0.476	S	S	*	.			trans	-81.5	63.8	-176.9	-167.9	23.5	0	0	0	111	L11 K183	L11-D13 PolarHBondContact O-N 2.76Å; D13-K183 WeakPolarHBondContact OD1-CE 3.31Å; D13-K183 IonicContact OD1-NZ 3.5Å; D13-K183 PolarHBondContact OD1-NZ 3.06Å
14	V	98.4	Very high	80.3	Confident	0 Å²	0	81 Å²	81	0%	0	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-68.4	128.8	174.4	-178.4	0	0	0	0	108.5	L12 L16 M37 Y41 P128 I165 T167 N177 K183	L12-V14 HydrophobicContact CB-CG2 4.25Å; L12-V14 PolarHBondContact O-N 3.35Å; V14-L16 PolarHBondContact O-N 3.26Å; V14-M37 HydrophobicContact CG1-CB 3.91Å; V14-M37 WeakPolarHBondContact CG1-O 3.19Å; V14-Y41 HydrophobicContact CB-CD2 4.45Å; V14-Y41 HydrophobicContact CG2-CD2 3.82Å; V14-Y41 HydrophobicContact CG2-CE2 4.4Å; V14-Y41 HydrophobicContact CG2-CG 4.16Å; V14-P128 HydrophobicContact CG2-CB 3.61Å; V14-P128 HydrophobicContact CG2-CG 3.88Å; V14-I165 HydrophobicContact CG1-CG2 4.14Å; V14-I165 HydrophobicContact CG2-CG2 4.09Å; V14-T167 HydrophobicContact CB-CG2 3.93Å; V14-T167 HydrophobicContact CG2-CG2 3.79Å; V14-N177 PolarHBondContact O-ND2 3.21Å; V14-K183 PolarHBondContact O-NZ 3.06Å
15	P	98.1	Very high	82.8	Confident	54 Å²	54	78.3 Å²	78.3	35%	0.351	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-57.3	135	171.5	-25.5	36.5	0	0	0	110.7	M37 N40	P15-M37 WeakPolarHBondContact O-CB 3.38Å; P15-M37 VanDerWaalsContact O-CG 3.29Å; P15-M37 WeakPolarHBondContact O-CG 3.35Å; P15-N40 HydrophobicContact CB-CB 4.29Å; P15-N40 HydrophobicContact CG-CB 4.09Å
16	L	98.3	Very high	85.5	Confident	68 Å²	68	71.8 Å²	71.8	36%	0.356	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-85	133.1	175.8	177.9	71.1	0	0	0	109	V14 M37 N177 G181 K183	V14-L16 PolarHBondContact O-N 3.26Å; L16-M37 HydrophobicContact CD1-SD 3.98Å; L16-N177 HydrophobicContact CD1-CB 4.34Å; L16-G181 WeakPolarHBondContact CD2-O 3.42Å; L16-K183 HydrophobicContact CB-CB 4.34Å; L16-K183 HydrophobicContact CB-CD 4.41Å; L16-K183 HydrophobicContact CD2-CB 4.08Å
17	E	98.4	Very high	87.9	Confident	31 Å²	31	71.1 Å²	71.1	15%	0.145	40%	0.403	C	S	.	.			trans	-124	134.7	166.4	-169.2	173.5	175.3	0	0	109.2	T33 S36 M37 K48	E17-T33 HydrophobicContact CB-CG2 3.96Å; E17-T33 HydrophobicContact CG-CG2 3.98Å; E17-T33 WeakPolarHBondContact O-CG2 3.39Å; E17-S36 WeakPolarHBondContact OE2-CB 3.34Å; E17-S36 PolarHBondContact OE2-OG 2.67Å; E17-M37 HydrophobicContact CB-CG 3.76Å; E17-M37 PolarHBondContact N-SD 3.48Å; E17-M37 VanDerWaalsContact N-SD 3.35Å; E17-K48 WeakPolarHBondContact OE1-CG 3.2Å; E17-K48 PolarHBondContact OE1-N 3.3Å; E17-K48 IonicContact OE1-NZ 3.63Å
18	D	97.7	Very high	90.4	Very high	61 Å²	61	69 Å²	69	33%	0.326	39%	0.385	S	S	.	.			trans	-100.4	125.6	179.8	178.7	-5.1	0	0	0	109.3	Y20 G21 P179	D18-Y20 PolarHBondContact O-N 3.14Å; D18-Y20 WeakPolarHBondContact OD1-CB 3.37Å; D18-Y20 PolarHBondContact OD1-N 2.9Å; D18-G21 PolarHBondContact O-N 2.79Å; D18-P179 CarbonylContact C-O 3.36Å; D18-P179 WeakPolarHBondContact CA-O 3.36Å
19	Q	97.4	Very high	93	Very high	1 Å²	1	63 Å²	63	1%	0.005	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.7	-179.6	71.1	179.6	76.8	0	0	113	M26 E27 T33 K48 P179 Y180	Q19-M26 PolarHBondContact NE2-O 2.92Å; Q19-M26 PolarHBondContact O-N 2.86Å; Q19-E27 PolarHBondContact NE2-O 3.38Å; Q19-T33 HydrophobicContact CB-CG2 4.2Å; Q19-T33 WeakPolarHBondContact CB-OG1 3.43Å; Q19-K48 VanDerWaalsContact O-CE 3.23Å; Q19-K48 WeakPolarHBondContact O-CE 3.29Å; Q19-P179 HydrophobicContact CB-CB 4.32Å; Q19-P179 HydrophobicContact CG-CB 4.42Å; Q19-P179 PolarHBondContact N-O 3.15Å; Q19-Y180 VanDerWaalsContact CD-CE1 3.5Å; Q19-Y180 HydrophobicContact CG-CD1 4.12Å; Q19-Y180 HydrophobicContact CG-CE1 4.4Å; Q19-Y180 VanDerWaalsContact OE1-CD1 3.31Å; Q19-Y180 VanDerWaalsContact OE1-CE1 3.23Å
20	Y	96.6	Very high	95	Very high	107 Å²	107	59.4 Å²	59.4	42%	0.42	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.3	174.2	-56.7	-70.8	0	0	0	113	D18 E27 Y180	D18-Y20 PolarHBondContact O-N 3.14Å; D18-Y20 WeakPolarHBondContact OD1-CB 3.37Å; D18-Y20 PolarHBondContact OD1-N 2.9Å; Y20-E27 HydrophobicContact CE1-CG 4.32Å; Y20-Y180 AromaticContact CE2-CD1 3.61Å; Y20-Y180 HydrophobicContact CE2-CD1 3.61Å; Y20-Y180 AromaticContact CE2-CE1 3.9Å; Y20-Y180 HydrophobicContact CE2-CE1 3.9Å; Y20-Y180 HydrophobicContact CE2-CG 4.3Å; Y20-Y180 WeakPolarHBondContact OH-CE1 3.41Å
21	G	91.1	Very high	95.8	Very high	24 Å²	24	50.9 Å²	50.9	25%	0.247	29%	0.29	C	S	.	.	S	Bend	trans	-88.5	-173.6	175	0	0	0	0	0	113.5	D18 K48	D18-G21 PolarHBondContact O-N 2.79Å; G21-K48 WeakPolarHBondContact O-CE 3.29Å; G21-K48 PolarHBondContact O-NZ 2.85Å
22	G	82.9	Confident	96	Very high	75 Å²	75	48.2 Å²	48.2	77%	0.773	28%	0.276	S	S	*	.	S	Bend	trans	80.6	-160.1	177.5	0	0	0	0	0	114.2
23	E	88.4	Confident	96	Very high	189 Å²	189	47.3 Å²	47.3	88%	0.883	27%	0.271	S	S	*	.	S	Bend	trans	-75.8	-42.1	-178.6	-64.5	-162.5	152.1	0	0	112.5
24	V	94.5	Very high	96.1	Very high	69 Å²	69	41.6 Å²	41.6	42%	0.418	24%	0.241	S	C	.	.	S	Bend	trans	-129.3	118.1	178.3	-176.2	0	0	0	0	109	N49 Y81	V24-N49 WeakPolarHBondContact CB-ND2 3.5Å; V24-N49 PolarHBondContact O-ND2 3.36Å; V24-N49 PolarHBondContact O-OD1 2.89Å; V24-Y81 HydrophobicContact CG1-CD1 3.85Å; V24-Y81 HydrophobicContact CG1-CE1 3.87Å
25	A	96.3	Very high	96.1	Very high	48 Å²	48	41.7 Å²	41.7	40%	0.397	24%	0.241	S	C	.	.			trans	-70	146.3	174	0	0	0	0	0	110.9
26	M	97	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.			trans	-126.5	105.2	174.9	-63	-177.2	-156	0	0	109.7	Q19 N28 G29 I32 K48 N49 V52 I80 Y81	Q19-M26 PolarHBondContact NE2-O 2.92Å; Q19-M26 PolarHBondContact O-N 2.86Å; M26-N28 PolarHBondContact O-N 2.85Å; M26-G29 PolarHBondContact O-N 2.9Å; M26-I32 HydrophobicContact SD-CG2 4.13Å; M26-K48 HydrophobicContact CE-CG 4.17Å; M26-K48 WeakPolarHBondContact CE-O 3.36Å; M26-N49 WeakPolarHBondContact CE-ND2 3.49Å; M26-V52 HydrophobicContact CE-CB 3.74Å; M26-V52 HydrophobicContact CE-CG1 3.5Å; M26-V52 VanDerWaalsContact CE-CG1 3.5Å; M26-V52 HydrophobicContact CE-CG2 4.13Å; M26-V52 HydrophobicContact SD-CB 4.26Å; M26-V52 HydrophobicContact SD-CG2 4.15Å; M26-I80 CarbonylContact C-O 3.55Å; M26-I80 HydrophobicContact CB-CG1 4.4Å; M26-I80 HydrophobicContact SD-CD1 4Å; M26-I80 HydrophobicContact SD-CG1 4.11Å; M26-I80 HydrophobicContact SD-CG2 4.45Å; M26-Y81 HydrophobicContact CE-CE1 4.24Å; M26-Y81 HydrophobicContact CG-CD1 3.92Å; M26-Y81 HydrophobicContact CG-CE1 4.09Å
27	E	96	Very high	96.2	Very high	93 Å²	93	35.9 Å²	35.9	44%	0.435	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.8	-179.1	-69.8	-174.3	170.7	0	0	112.8	Q19 Y20 I80 Y81 E82 G83	Q19-E27 PolarHBondContact NE2-O 3.38Å; Y20-E27 HydrophobicContact CE1-CG 4.32Å; E27-I80 PolarHBondContact N-O 3.29Å; E27-Y81 WeakPolarHBondContact CB-O 3.29Å; E27-Y81 WeakPolarHBondContact CG-O 3.17Å; E27-Y81 PolarHBondContact N-O 3.06Å; E27-E82 VanDerWaalsContact OE2-CA 3.3Å; E27-E82 WeakPolarHBondContact OE2-CA 3.42Å; E27-G83 PolarHBondContact OE2-N 3.5Å
28	N	97	Very high	96.2	Very high	45 Å²	45	34.4 Å²	34.4	24%	0.241	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	24.7	-178.7	-55.4	-56.1	0	0	0	111.9	M26 C30 F76 N79 I80 G83 A86	M26-N28 PolarHBondContact O-N 2.85Å; N28-C30 PolarHBondContact O-N 3.21Å; N28-F76 HydrophobicContact CB-CZ 3.86Å; N28-F76 VanDerWaalsContact O-CE2 3.28Å; N28-F76 WeakPolarHBondContact O-CE2 3.25Å; N28-N79 PolarHBondContact ND2-O 3.34Å; N28-I80 PolarHBondContact N-O 2.93Å; N28-G83 PolarHBondContact ND2-O 3.5Å; N28-G83 VanDerWaalsContact ND2-O 3.07Å; N28-A86 HydrophobicContact CB-CB 4.07Å; N28-A86 WeakPolarHBondContact ND2-CB 3.48Å
29	G	97.3	Very high	96.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.185	C	C	.	.			trans	-92.3	28.2	-173.9	0	0	0	0	0	115.2	M26 I32 T33	M26-G29 PolarHBondContact O-N 2.9Å; G29-I32 WeakPolarHBondContact O-CG2 3.4Å; G29-T33 WeakPolarHBondContact O-CB 3.47Å; G29-T33 PolarHBondContact O-N 3.33Å; G29-T33 PolarHBondContact O-OG1 2.73Å
30	C	98.1	Very high	96.3	Very high	7 Å²	7	33.3 Å²	33.3	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-44.1	-172.8	51	0	0	0	0	112.3	N28 T33 A34 H162 P179	N28-C30 PolarHBondContact O-N 3.21Å; C30-T33 PolarHBondContact O-N 2.81Å; C30-A34 VanDerWaalsContact O-CB 3.29Å; C30-A34 WeakPolarHBondContact O-CB 3.3Å; C30-A34 PolarHBondContact O-N 2.73Å; C30-H162 VanDerWaalsContact CB-CE1 3.48Å; C30-H162 WeakPolarHBondContact CB-CE1 3.31Å; C30-H162 WeakPolarHBondContact CB-ND1 3.42Å; C30-P179 HydrophobicContact CB-CB 4.26Å; C30-P179 HydrophobicContact CB-CG 4.19Å; C30-P179 WeakPolarHBondContact O-CG 3.41Å
31	E	98.6	Very high	96.3	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-49.1	-178.4	-60.4	87.6	172.3	0	0	112.2	A34 L35 G88 V89 I94 W130 I132 A163	E31-A34 PolarHBondContact O-N 3.07Å; E31-L35 PolarHBondContact O-N 3.22Å; E31-G88 VanDerWaalsContact OE1-CA 3.31Å; E31-G88 WeakPolarHBondContact OE1-CA 3.43Å; E31-V89 HydrophobicContact CB-CG1 3.51Å; E31-V89 HydrophobicContact CG-CG1 3.66Å; E31-V89 PolarHBondContact OE1-N 2.83Å; E31-I94 HydrophobicContact CB-CD1 3.81Å; E31-I94 HydrophobicContact CB-CG1 4.16Å; E31-W130 HydrophobicContact CB-CZ2 3.85Å; E31-W130 HydrophobicContact CG-CZ2 3.98Å; E31-W130 PolarHBondContact O-NE1 3.26Å; E31-I132 HydrophobicContact CG-CD1 3.95Å; E31-A163 HydrophobicContact CB-CB 4.26Å; E31-A163 HydrophobicContact CG-CB 3.91Å
32	I	98.5	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-72.1	-35.1	-177.5	-160.4	65.7	0	0	0	112	M26 G29 L35 S36 K48 L51 L55 I80 I94 V97	M26-I32 HydrophobicContact SD-CG2 4.13Å; G29-I32 WeakPolarHBondContact O-CG2 3.4Å; I32-L35 HydrophobicContact CD1-CD2 4.18Å; I32-L35 PolarHBondContact O-N 2.91Å; I32-S36 PolarHBondContact O-N 3.46Å; I32-K48 HydrophobicContact CG2-CB 4.41Å; I32-L51 HydrophobicContact CD1-CB 3.77Å; I32-L51 HydrophobicContact CG1-CB 3.8Å; I32-L55 HydrophobicContact CD1-CD2 4.35Å; I32-I80 HydrophobicContact CG2-CD1 3.97Å; I32-I94 HydrophobicContact CD1-CD1 4.15Å; I32-V97 HydrophobicContact CD1-CG1 4.14Å; I32-V97 HydrophobicContact CD1-CG2 4.42Å
33	T	98.6	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.7	-40.8	175.2	-56.1	0	0	0	0	110.8	E17 Q19 G29 C30 L35 S36 M37 K48 P179	E17-T33 HydrophobicContact CB-CG2 3.96Å; E17-T33 HydrophobicContact CG-CG2 3.98Å; E17-T33 WeakPolarHBondContact O-CG2 3.39Å; Q19-T33 HydrophobicContact CB-CG2 4.2Å; Q19-T33 WeakPolarHBondContact CB-OG1 3.43Å; G29-T33 WeakPolarHBondContact O-CB 3.47Å; G29-T33 PolarHBondContact O-N 3.33Å; G29-T33 PolarHBondContact O-OG1 2.73Å; C30-T33 PolarHBondContact O-N 2.81Å; T33-L35 VanDerWaalsContact C-N 3.35Å; T33-S36 WeakPolarHBondContact O-CB 3.22Å; T33-S36 PolarHBondContact O-N 2.95Å; T33-M37 WeakPolarHBondContact O-CG 3.4Å; T33-M37 PolarHBondContact O-N 2.86Å; T33-K48 HydrophobicContact CG2-CD 4.2Å; T33-K48 VanDerWaalsContact OG1-CD 3.24Å; T33-K48 WeakPolarHBondContact OG1-CD 3.38Å; T33-P179 HydrophobicContact CG2-CB 3.99Å
34	A	98.8	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-43.9	173	0	0	0	0	0	111.2	C30 E31 S36 M37 L38 A163 I165 P179	C30-A34 VanDerWaalsContact O-CB 3.29Å; C30-A34 WeakPolarHBondContact O-CB 3.3Å; C30-A34 PolarHBondContact O-N 2.73Å; E31-A34 PolarHBondContact O-N 3.07Å; A34-S36 VanDerWaalsContact C-N 3.3Å; A34-S36 PolarHBondContact O-N 3.06Å; A34-M37 HydrophobicContact CB-CE 4.24Å; A34-M37 WeakPolarHBondContact O-CB 3.49Å; A34-M37 PolarHBondContact O-N 3.02Å; A34-M37 VanDerWaalsContact O-N 3.17Å; A34-L38 PolarHBondContact O-N 2.86Å; A34-A163 HydrophobicContact CB-CB 4.25Å; A34-I165 HydrophobicContact CB-CD1 4.06Å; A34-I165 HydrophobicContact CB-CG1 4.23Å; A34-I165 WeakPolarHBondContact O-CD1 3.37Å; A34-I165 VanDerWaalsContact O-CG1 3.32Å; A34-I165 WeakPolarHBondContact O-CG1 3.47Å; A34-P179 HydrophobicContact CB-CG 4.01Å
35	L	98.8	Very high	97.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-43.2	174.1	177.5	64.4	0	0	0	111.8	E31 I32 T33 M37 L38 L39 L51 I94 V97 A98 L204	E31-L35 PolarHBondContact O-N 3.22Å; I32-L35 HydrophobicContact CD1-CD2 4.18Å; I32-L35 PolarHBondContact O-N 2.91Å; T33-L35 VanDerWaalsContact C-N 3.35Å; L35-M37 VanDerWaalsContact C-N 3.33Å; L35-M37 PolarHBondContact O-N 3.46Å; L35-L38 WeakPolarHBondContact O-CB 3.36Å; L35-L38 PolarHBondContact O-N 3.4Å; L35-L38 VanDerWaalsContact O-N 3.16Å; L35-L39 HydrophobicContact CD1-CD1 4.19Å; L35-L39 HydrophobicContact CD1-CG 4.2Å; L35-L39 HydrophobicContact CD2-CD1 4.32Å; L35-L39 HydrophobicContact CG-CD1 3.88Å; L35-L39 HydrophobicContact CG-CG 4.34Å; L35-L39 WeakPolarHBondContact O-CG 3.34Å; L35-L39 PolarHBondContact O-N 3.28Å; L35-L51 HydrophobicContact CD2-CD1 4.37Å; L35-L51 HydrophobicContact CG-CD1 4.3Å; L35-I94 HydrophobicContact CB-CG2 4.14Å; L35-I94 HydrophobicContact CD1-CG2 4.25Å; L35-I94 HydrophobicContact CD2-CG2 4.06Å; L35-I94 HydrophobicContact CG-CG2 4.35Å; L35-V97 HydrophobicContact CD2-CB 3.79Å; L35-V97 HydrophobicContact CD2-CG1 3.57Å; L35-A98 HydrophobicContact CD1-CB 3.82Å; L35-A98 HydrophobicContact CD2-CB 4.42Å; L35-L204 HydrophobicContact CD1-CD2 4.26Å
36	S	98.6	Very high	97.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.9	-43.1	176.5	-172.3	0	0	0	0	112.7	E17 I32 T33 A34 L38 L39 N40 T46 D47	E17-S36 WeakPolarHBondContact OE2-CB 3.34Å; E17-S36 PolarHBondContact OE2-OG 2.67Å; I32-S36 PolarHBondContact O-N 3.46Å; T33-S36 WeakPolarHBondContact O-CB 3.22Å; T33-S36 PolarHBondContact O-N 2.95Å; A34-S36 VanDerWaalsContact C-N 3.3Å; A34-S36 PolarHBondContact O-N 3.06Å; S36-L38 VanDerWaalsContact C-N 3.32Å; S36-L38 PolarHBondContact O-N 3.27Å; S36-L39 PolarHBondContact O-N 2.91Å; S36-N40 WeakPolarHBondContact O-CB 3.48Å; S36-N40 PolarHBondContact O-N 3.34Å; S36-N40 PolarHBondContact O-ND2 3.4Å; S36-N40 PolarHBondContact OG-ND2 3.49Å; S36-T46 PolarHBondContact OG-O 3.38Å; S36-D47 WeakPolarHBondContact OG-CA 3.47Å
37	M	98.8	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-43.9	174.9	-69.8	-169.1	-78.7	0	0	111.7	V14 P15 L16 E17 T33 A34 L35 N40 Y41 I165 N177 P179	V14-M37 HydrophobicContact CG1-CB 3.91Å; V14-M37 WeakPolarHBondContact CG1-O 3.19Å; P15-M37 WeakPolarHBondContact O-CB 3.38Å; P15-M37 VanDerWaalsContact O-CG 3.29Å; P15-M37 WeakPolarHBondContact O-CG 3.35Å; L16-M37 HydrophobicContact CD1-SD 3.98Å; E17-M37 HydrophobicContact CB-CG 3.76Å; E17-M37 PolarHBondContact N-SD 3.48Å; E17-M37 VanDerWaalsContact N-SD 3.35Å; T33-M37 WeakPolarHBondContact O-CG 3.4Å; T33-M37 PolarHBondContact O-N 2.86Å; A34-M37 HydrophobicContact CB-CE 4.24Å; A34-M37 WeakPolarHBondContact O-CB 3.49Å; A34-M37 PolarHBondContact O-N 3.02Å; A34-M37 VanDerWaalsContact O-N 3.17Å; L35-M37 VanDerWaalsContact C-N 3.33Å; L35-M37 PolarHBondContact O-N 3.46Å; M37-N40 PolarHBondContact O-N 3.45Å; M37-Y41 PolarHBondContact O-N 2.96Å; M37-Y41 VanDerWaalsContact O-N 3.1Å; M37-I165 HydrophobicContact CB-CG1 3.99Å; M37-I165 HydrophobicContact CE-CG1 4.34Å; M37-N177 HydrophobicContact CE-CB 4.14Å; M37-N177 HydrophobicContact SD-CB 3.71Å; M37-P179 HydrophobicContact CE-CG 3.86Å
38	L	98.8	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-49.8	176.3	177.1	62.6	0	0	0	111.5	A34 L35 S36 N40 Y41 Y42 P128 W130 I165 L204 L206	A34-L38 PolarHBondContact O-N 2.86Å; L35-L38 WeakPolarHBondContact O-CB 3.36Å; L35-L38 PolarHBondContact O-N 3.4Å; L35-L38 VanDerWaalsContact O-N 3.16Å; S36-L38 VanDerWaalsContact C-N 3.32Å; S36-L38 PolarHBondContact O-N 3.27Å; L38-N40 VanDerWaalsContact C-N 3.31Å; L38-N40 PolarHBondContact O-N 3.16Å; L38-Y41 WeakPolarHBondContact O-CB 3.47Å; L38-Y41 PolarHBondContact O-N 3.29Å; L38-Y42 HydrophobicContact CD1-CE2 3.96Å; L38-Y42 WeakPolarHBondContact O-CD2 3.34Å; L38-P128 HydrophobicContact CD1-CB 4.29Å; L38-P128 HydrophobicContact CD1-CG 3.74Å; L38-P128 WeakPolarHBondContact CD1-O 3.4Å; L38-W130 HydrophobicContact CD2-CB 4.2Å; L38-I165 HydrophobicContact CB-CD1 3.88Å; L38-I165 HydrophobicContact CB-CG1 4.48Å; L38-L204 HydrophobicContact CD2-CD2 3.37Å; L38-L206 HydrophobicContact CD2-CG 4.41Å
39	L	98.7	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-39.6	178.7	-70.8	167.9	0	0	0	111.7	L35 S36 Y41 Y42 G43 Y44 T46 L51 V101 V102 L206	L35-L39 HydrophobicContact CD1-CD1 4.19Å; L35-L39 HydrophobicContact CD1-CG 4.2Å; L35-L39 HydrophobicContact CD2-CD1 4.32Å; L35-L39 HydrophobicContact CG-CD1 3.88Å; L35-L39 HydrophobicContact CG-CG 4.34Å; L35-L39 WeakPolarHBondContact O-CG 3.34Å; L35-L39 PolarHBondContact O-N 3.28Å; S36-L39 PolarHBondContact O-N 2.91Å; L39-Y41 VanDerWaalsContact C-N 3.32Å; L39-Y41 PolarHBondContact O-N 3.21Å; L39-Y42 CarbonylContact O-C 3.58Å; L39-Y42 PolarHBondContact O-N 2.91Å; L39-G43 PolarHBondContact O-N 3.06Å; L39-Y44 HydrophobicContact CB-CD2 4.11Å; L39-Y44 HydrophobicContact CD2-CD2 3.76Å; L39-Y44 HydrophobicContact CD2-CE2 4.1Å; L39-Y44 HydrophobicContact CD2-CG 4.41Å; L39-Y44 VanDerWaalsContact O-CD2 3.28Å; L39-Y44 WeakPolarHBondContact O-CD2 3.43Å; L39-Y44 PolarHBondContact O-N 3.23Å; L39-T46 HydrophobicContact CD1-CG2 4.5Å; L39-L51 HydrophobicContact CD1-CD1 3.67Å; L39-L51 HydrophobicContact CD1-CD2 3.85Å; L39-L51 HydrophobicContact CD1-CG 4.43Å; L39-V101 HydrophobicContact CD1-CB 4.28Å; L39-V101 HydrophobicContact CD1-CG1 4.16Å; L39-V101 HydrophobicContact CD1-CG2 4.21Å; L39-V101 HydrophobicContact CD2-CB 4.26Å; L39-V101 HydrophobicContact CD2-CG1 3.97Å; L39-V102 HydrophobicContact CD2-CG1 3.6Å; L39-L206 HydrophobicContact CD2-CD1 4.21Å
40	N	98.4	Very high	97.9	Very high	39 Å²	39	27.1 Å²	27.1	21%	0.209	16%	0.159	C	C	.	.	H	α-helix	trans	-69.7	-25	178.4	-79.7	-48	0	0	0	114.1	P15 S36 M37 L38 Y42 G43 G45 T46	P15-N40 HydrophobicContact CB-CB 4.29Å; P15-N40 HydrophobicContact CG-CB 4.09Å; S36-N40 WeakPolarHBondContact O-CB 3.48Å; S36-N40 PolarHBondContact O-N 3.34Å; S36-N40 PolarHBondContact O-ND2 3.4Å; S36-N40 PolarHBondContact OG-ND2 3.49Å; M37-N40 PolarHBondContact O-N 3.45Å; L38-N40 VanDerWaalsContact C-N 3.31Å; L38-N40 PolarHBondContact O-N 3.16Å; N40-Y42 PolarHBondContact O-N 2.76Å; N40-G43 PolarHBondContact O-N 3.22Å; N40-G43 VanDerWaalsContact O-N 3.07Å; N40-G45 WeakPolarHBondContact OD1-CA 3.29Å; N40-G45 PolarHBondContact OD1-N 2.96Å; N40-G45 VanDerWaalsContact OD1-N 3.16Å; N40-T46 PolarHBondContact ND2-O 3.39Å; N40-T46 PolarHBondContact OD1-N 3.37Å; N40-T46 PolarHBondContact OD1-O 3.01Å
41	Y	98.1	Very high	97.9	Very high	76 Å²	76	26.9 Å²	26.9	30%	0.298	16%	0.157	S	C	.	.	H	α-helix	trans	-59.7	-33.1	168.9	179.1	-103.5	0	0	0	112	L12 V14 M37 L38 L39 G126 P128	L12-Y41 HydrophobicContact CB-CE2 4.29Å; V14-Y41 HydrophobicContact CB-CD2 4.45Å; V14-Y41 HydrophobicContact CG2-CD2 3.82Å; V14-Y41 HydrophobicContact CG2-CE2 4.4Å; V14-Y41 HydrophobicContact CG2-CG 4.16Å; M37-Y41 PolarHBondContact O-N 2.96Å; M37-Y41 VanDerWaalsContact O-N 3.1Å; L38-Y41 WeakPolarHBondContact O-CB 3.47Å; L38-Y41 PolarHBondContact O-N 3.29Å; L39-Y41 VanDerWaalsContact C-N 3.32Å; L39-Y41 PolarHBondContact O-N 3.21Å; Y41-G126 PolarHBondContact OH-O 3.43Å; Y41-P128 HydrophobicContact CD1-CG 3.46Å; Y41-P128 VanDerWaalsContact CD1-CG 3.46Å; Y41-P128 HydrophobicContact CD2-CG 4.44Å; Y41-P128 HydrophobicContact CE1-CG 3.72Å; Y41-P128 HydrophobicContact CG-CG 3.84Å
42	Y	97.8	Very high	97.9	Very high	56 Å²	56	27 Å²	27	22%	0.22	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.2	175.8	-65.4	-86.4	0	0	0	113.8	L38 L39 N40 L206	L38-Y42 HydrophobicContact CD1-CE2 3.96Å; L38-Y42 WeakPolarHBondContact O-CD2 3.34Å; L39-Y42 CarbonylContact O-C 3.58Å; L39-Y42 PolarHBondContact O-N 2.91Å; N40-Y42 PolarHBondContact O-N 2.76Å; Y42-L206 HydrophobicContact CD2-CB 4.39Å; Y42-L206 HydrophobicContact CD2-CD1 3.65Å; Y42-L206 HydrophobicContact CD2-CG 4.44Å; Y42-L206 HydrophobicContact CE2-CB 3.84Å; Y42-L206 HydrophobicContact CE2-CD1 3.89Å; Y42-L206 HydrophobicContact CE2-CG 4.18Å; Y42-L206 HydrophobicContact CG-CD1 4.26Å; Y42-L206 PolarHBondContact OH-O 3.33Å
43	G	97.5	Very high	97.8	Very high	64 Å²	64	33.5 Å²	33.5	66%	0.66	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	22	172.4	0	0	0	0	0	115.6	L39 N40 G45	L39-G43 PolarHBondContact O-N 3.06Å; N40-G43 PolarHBondContact O-N 3.22Å; N40-G43 VanDerWaalsContact O-N 3.07Å; G43-G45 PolarHBondContact O-N 3.38Å
44	Y	98.2	Very high	97.8	Very high	56 Å²	56	37.5 Å²	37.5	22%	0.22	21%	0.213	C	C	.	.			trans	-67.8	-22.6	176.4	-72.5	-72.9	0	0	0	113.7	L39 V101 V102 Q106 L206	L39-Y44 HydrophobicContact CB-CD2 4.11Å; L39-Y44 HydrophobicContact CD2-CD2 3.76Å; L39-Y44 HydrophobicContact CD2-CE2 4.1Å; L39-Y44 HydrophobicContact CD2-CG 4.41Å; L39-Y44 VanDerWaalsContact O-CD2 3.28Å; L39-Y44 WeakPolarHBondContact O-CD2 3.43Å; L39-Y44 PolarHBondContact O-N 3.23Å; Y44-V101 HydrophobicContact CD1-CG1 3.92Å; Y44-V101 HydrophobicContact CG-CG1 3.94Å; Y44-V102 HydrophobicContact CD2-CG1 4.46Å; Y44-V102 HydrophobicContact CE1-CB 4.46Å; Y44-V102 HydrophobicContact CE1-CG1 4.45Å; Y44-V102 HydrophobicContact CE2-CB 4.36Å; Y44-V102 HydrophobicContact CE2-CG1 3.66Å; Y44-V102 WeakPolarHBondContact OH-CA 3.29Å; Y44-V102 VanDerWaalsContact OH-CB 3.25Å; Y44-V102 WeakPolarHBondContact OH-CB 3.39Å; Y44-V102 WeakPolarHBondContact OH-CG1 3.44Å; Y44-Q106 PolarHBondContact OH-NE2 3.25Å; Y44-Q106 PolarHBondContact OH-OE1 3.22Å; Y44-L206 HydrophobicContact CE2-CD1 4.29Å
45	G	96.6	Very high	97.7	Very high	57 Å²	57	37.9 Å²	37.9	59%	0.588	22%	0.215	S	C	*	.			trans	69.3	34.4	174.6	0	0	0	0	0	113.5	N40 G43	N40-G45 WeakPolarHBondContact OD1-CA 3.29Å; N40-G45 PolarHBondContact OD1-N 2.96Å; N40-G45 VanDerWaalsContact OD1-N 3.16Å; G43-G45 PolarHBondContact O-N 3.38Å
46	T	96	Very high	97.7	Very high	20 Å²	20	42.2 Å²	42.2	12%	0.123	24%	0.238	C	C	.	.			trans	-88	164.9	177.6	56.4	0	0	0	0	110.9	S36 L39 N40 E50 L51 V101	S36-T46 PolarHBondContact OG-O 3.38Å; L39-T46 HydrophobicContact CD1-CG2 4.5Å; N40-T46 PolarHBondContact ND2-O 3.39Å; N40-T46 PolarHBondContact OD1-N 3.37Å; N40-T46 PolarHBondContact OD1-O 3.01Å; T46-E50 WeakPolarHBondContact CA-OE2 3.4Å; T46-L51 HydrophobicContact CG2-CD2 3.96Å; T46-V101 HydrophobicContact CG2-CG1 3.97Å
47	D	96.5	Very high	97.7	Very high	56 Å²	56	46.5 Å²	46.5	30%	0.299	26%	0.257	S	S	.	.			trans	-130.3	165.6	160.4	71.6	43.8	0	0	0	111.6	S36 N49 E50 L51	S36-D47 WeakPolarHBondContact OG-CA 3.47Å; D47-N49 PolarHBondContact O-N 2.77Å; D47-N49 VanDerWaalsContact OD1-CA 3.27Å; D47-N49 WeakPolarHBondContact OD1-CA 3.41Å; D47-N49 VanDerWaalsContact OD1-CB 3.28Å; D47-N49 WeakPolarHBondContact OD1-CB 3.13Å; D47-N49 PolarHBondContact OD1-N 2.96Å; D47-E50 PolarHBondContact N-OE2 3.33Å; D47-E50 PolarHBondContact O-N 3.03Å; D47-E50 VanDerWaalsContact O-N 3.16Å; D47-E50 PolarHBondContact OD1-N 2.97Å; D47-L51 WeakPolarHBondContact O-CG 3.45Å; D47-L51 PolarHBondContact O-N 2.8Å
48	K	97.3	Very high	97.6	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-28.8	-179.5	74.6	-170.7	179.1	-49.6	0	113.1	E17 Q19 G21 M26 I32 T33 V52	E17-K48 WeakPolarHBondContact OE1-CG 3.2Å; E17-K48 PolarHBondContact OE1-N 3.3Å; E17-K48 IonicContact OE1-NZ 3.63Å; Q19-K48 VanDerWaalsContact O-CE 3.23Å; Q19-K48 WeakPolarHBondContact O-CE 3.29Å; G21-K48 WeakPolarHBondContact O-CE 3.29Å; G21-K48 PolarHBondContact O-NZ 2.85Å; M26-K48 HydrophobicContact CE-CG 4.17Å; M26-K48 WeakPolarHBondContact CE-O 3.36Å; I32-K48 HydrophobicContact CG2-CB 4.41Å; T33-K48 HydrophobicContact CG2-CD 4.2Å; T33-K48 VanDerWaalsContact OG1-CD 3.24Å; T33-K48 WeakPolarHBondContact OG1-CD 3.38Å; K48-V52 WeakPolarHBondContact O-CB 3.39Å; K48-V52 PolarHBondContact O-N 2.8Å; K48-V52 VanDerWaalsContact O-N 3.08Å
49	N	96.8	Very high	97.5	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.144	29%	0.285	C	S	.	.	H	α-helix	trans	-76.7	-27.3	-178.4	-66	119.8	0	0	0	111.7	V24 M26 D47 V52	V24-N49 WeakPolarHBondContact CB-ND2 3.5Å; V24-N49 PolarHBondContact O-ND2 3.36Å; V24-N49 PolarHBondContact O-OD1 2.89Å; M26-N49 WeakPolarHBondContact CE-ND2 3.49Å; D47-N49 PolarHBondContact O-N 2.77Å; D47-N49 VanDerWaalsContact OD1-CA 3.27Å; D47-N49 WeakPolarHBondContact OD1-CA 3.41Å; D47-N49 VanDerWaalsContact OD1-CB 3.28Å; D47-N49 WeakPolarHBondContact OD1-CB 3.13Å; D47-N49 PolarHBondContact OD1-N 2.96Å; N49-V52 WeakPolarHBondContact O-CG1 3.36Å
50	E	96.5	Very high	97.4	Very high	108 Å²	108	52.3 Å²	52.3	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-78.1	-41.6	168.7	-65.4	176.7	146.3	0	0	111.9	T46 D47 V52 D53	T46-E50 WeakPolarHBondContact CA-OE2 3.4Å; D47-E50 PolarHBondContact N-OE2 3.33Å; D47-E50 PolarHBondContact O-N 3.03Å; D47-E50 VanDerWaalsContact O-N 3.16Å; D47-E50 PolarHBondContact OD1-N 2.97Å; E50-V52 PolarHBondContact O-N 3.04Å; E50-D53 PolarHBondContact O-N 3.34Å
51	L	98.2	Very high	97.3	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-32.5	-176.5	-66.1	-178.6	0	0	0	113.3	I32 L35 L39 T46 D47 D53 L54 L55 V97 V101	I32-L51 HydrophobicContact CD1-CB 3.77Å; I32-L51 HydrophobicContact CG1-CB 3.8Å; L35-L51 HydrophobicContact CD2-CD1 4.37Å; L35-L51 HydrophobicContact CG-CD1 4.3Å; L39-L51 HydrophobicContact CD1-CD1 3.67Å; L39-L51 HydrophobicContact CD1-CD2 3.85Å; L39-L51 HydrophobicContact CD1-CG 4.43Å; T46-L51 HydrophobicContact CG2-CD2 3.96Å; D47-L51 WeakPolarHBondContact O-CG 3.45Å; D47-L51 PolarHBondContact O-N 2.8Å; L51-D53 PolarHBondContact O-N 2.86Å; L51-L54 WeakPolarHBondContact O-CB 3.49Å; L51-L54 PolarHBondContact O-N 3.02Å; L51-L55 PolarHBondContact O-N 2.8Å; L51-V97 HydrophobicContact CB-CG1 4.19Å; L51-V97 HydrophobicContact CD2-CG1 4.03Å; L51-V101 HydrophobicContact CD2-CG2 3.64Å
52	V	97.4	Very high	97.2	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.03	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-62.9	-26.5	178.8	73.8	0	0	0	0	112.6	M26 K48 N49 E50 L54 L55 F57 I80	M26-V52 HydrophobicContact CE-CB 3.74Å; M26-V52 HydrophobicContact CE-CG1 3.5Å; M26-V52 VanDerWaalsContact CE-CG1 3.5Å; M26-V52 HydrophobicContact CE-CG2 4.13Å; M26-V52 HydrophobicContact SD-CB 4.26Å; M26-V52 HydrophobicContact SD-CG2 4.15Å; K48-V52 WeakPolarHBondContact O-CB 3.39Å; K48-V52 PolarHBondContact O-N 2.8Å; K48-V52 VanDerWaalsContact O-N 3.08Å; N49-V52 WeakPolarHBondContact O-CG1 3.36Å; E50-V52 PolarHBondContact O-N 3.04Å; V52-L54 PolarHBondContact O-N 2.95Å; V52-L55 WeakPolarHBondContact O-CB 3.37Å; V52-L55 PolarHBondContact O-N 2.9Å; V52-L55 VanDerWaalsContact O-N 3.16Å; V52-F57 HydrophobicContact CG2-CE2 4.19Å; V52-F57 HydrophobicContact CG2-CZ 3.69Å; V52-I80 HydrophobicContact CG2-CD1 3.94Å; V52-I80 HydrophobicContact CG2-CG2 4.18Å
53	D	97	Very high	97.2	Very high	135 Å²	135	55.2 Å²	55.2	72%	0.722	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-69.6	-17	176.8	-75.9	-20.1	0	0	0	112.5	E50 L51	E50-D53 PolarHBondContact O-N 3.34Å; L51-D53 PolarHBondContact O-N 2.86Å
54	L	98.1	Very high	97.1	Very high	84 Å²	84	55.6 Å²	55.6	44%	0.44	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-95.6	-10.7	175.3	-56.2	178.4	0	0	0	112.6	L51 V52 V97 E100 V101	L51-L54 WeakPolarHBondContact O-CB 3.49Å; L51-L54 PolarHBondContact O-N 3.02Å; V52-L54 PolarHBondContact O-N 2.95Å; L54-V97 HydrophobicContact CB-CG1 4.06Å; L54-V97 HydrophobicContact CB-CG2 4.11Å; L54-V97 HydrophobicContact CD1-CG1 4.32Å; L54-E100 HydrophobicContact CD1-CB 4.32Å; L54-V101 HydrophobicContact CD1-CG2 4.07Å
55	L	98.5	Very high	97	Very high	9 Å²	9	62 Å²	62	5%	0.047	34%	0.336	C	S	.	.			trans	-81.2	130.9	-175.1	-174.9	61.7	0	0	0	110.6	I32 L51 V52 F57 F76 I80 V89 P93 I94 V97	I32-L55 HydrophobicContact CD1-CD2 4.35Å; L51-L55 PolarHBondContact O-N 2.8Å; V52-L55 WeakPolarHBondContact O-CB 3.37Å; V52-L55 PolarHBondContact O-N 2.9Å; V52-L55 VanDerWaalsContact O-N 3.16Å; L55-F57 HydrophobicContact CB-CE2 4.11Å; L55-F57 HydrophobicContact CD2-CE2 4.48Å; L55-F57 HydrophobicContact CD2-CZ 4.21Å; L55-F57 HydrophobicContact CG-CE2 4.34Å; L55-F57 WeakPolarHBondContact O-CD2 3.49Å; L55-F57 VanDerWaalsContact O-CE2 3.25Å; L55-F57 WeakPolarHBondContact O-CE2 3.4Å; L55-F76 HydrophobicContact CD2-CB 3.85Å; L55-F76 HydrophobicContact CD2-CD2 4.34Å; L55-F76 HydrophobicContact CD2-CG 4.4Å; L55-F76 HydrophobicContact CG-CB 4.27Å; L55-I80 HydrophobicContact CD2-CD1 4.14Å; L55-V89 HydrophobicContact CD1-CG2 4.32Å; L55-P93 HydrophobicContact CD1-CB 4.14Å; L55-I94 HydrophobicContact CD1-CD1 4.18Å; L55-V97 HydrophobicContact CB-CG2 4.11Å; L55-V97 HydrophobicContact CD1-CG2 3.96Å
56	D	98.3	Very high	97	Very high	91 Å²	91	66.3 Å²	66.3	49%	0.487	34%	0.339	S	S	.	.			trans	-73.3	144.7	170.8	-83.6	-31.6	0	0	0	111.4	G75 F76	D56-G75 CarbonylContact O-C 3.51Å; D56-G75 VanDerWaalsContact O-CA 3.32Å; D56-G75 WeakPolarHBondContact O-CA 3.46Å; D56-F76 PolarHBondContact O-N 2.86Å
57	F	98.1	Very high	97	Very high	90 Å²	90	74.3 Å²	74.3	40%	0.395	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.8	-178.6	-73.7	-95.7	0	0	0	111.4	V52 L55 F76 I80	V52-F57 HydrophobicContact CG2-CE2 4.19Å; V52-F57 HydrophobicContact CG2-CZ 3.69Å; L55-F57 HydrophobicContact CB-CE2 4.11Å; L55-F57 HydrophobicContact CD2-CE2 4.48Å; L55-F57 HydrophobicContact CD2-CZ 4.21Å; L55-F57 HydrophobicContact CG-CE2 4.34Å; L55-F57 WeakPolarHBondContact O-CD2 3.49Å; L55-F57 VanDerWaalsContact O-CE2 3.25Å; L55-F57 WeakPolarHBondContact O-CE2 3.4Å; F57-F76 WeakPolarHBondContact CA-O 3.35Å; F57-F76 HydrophobicContact CD1-CB 3.8Å; F57-F76 AromaticContact CD1-CD1 3.78Å; F57-F76 HydrophobicContact CD1-CD1 3.78Å; F57-F76 HydrophobicContact CD1-CG 4.14Å; F57-F76 HydrophobicContact CE1-CB 3.86Å; F57-F76 AromaticContact CE1-CD1 3.65Å; F57-F76 HydrophobicContact CE1-CD1 3.65Å; F57-F76 AromaticContact CE1-CG 3.9Å; F57-F76 HydrophobicContact CE1-CG 3.9Å; F57-F76 HydrophobicContact CG-CB 4.41Å; F57-I80 HydrophobicContact CE1-CB 3.97Å; F57-I80 HydrophobicContact CE1-CG2 3.81Å; F57-I80 HydrophobicContact CZ-CB 4.41Å; F57-I80 HydrophobicContact CZ-CD1 4.46Å; F57-I80 HydrophobicContact CZ-CG2 3.92Å
58	V	97.7	Very high	97.1	Very high	20 Å²	20	73.2 Å²	73.2	12%	0.121	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.4	171.5	-61.7	0	0	0	0	110.2	D74 F76 V77 G78	V58-D74 HydrophobicContact CG1-CB 4.21Å; V58-F76 PolarHBondContact N-O 3.47Å; V58-V77 HydrophobicContact CG2-CB 4.12Å; V58-V77 HydrophobicContact CG2-CG1 4.41Å; V58-V77 HydrophobicContact CG2-CG2 3.61Å; V58-V77 WeakPolarHBondContact O-CA 3.21Å; V58-G78 PolarHBondContact O-N 3.01Å
59	P	96.6	Very high	97.1	Very high	71 Å²	71	74.1 Å²	74.1	46%	0.461	37%	0.365	S	S	.	.			trans	-69.3	153	179.3	30.7	-35.8	0	0	0	111	Y61 E62 G70	P59-Y61 PolarHBondContact O-N 3.35Å; P59-E62 HydrophobicContact CG-CG 3.93Å; P59-G70 VanDerWaalsContact O-CA 3.27Å; P59-G70 WeakPolarHBondContact O-CA 3.3Å; P59-G70 PolarHBondContact O-N 3.39Å; P59-G70 VanDerWaalsContact O-N 3.16Å
60	L	96.4	Very high	97.2	Very high	32 Å²	32	72.9 Å²	72.9	17%	0.168	36%	0.358	C	S	.	.	S	Bend	trans	-55.1	-37.3	173.1	-179.4	63.3	0	0	0	112.3	H69 G70 V77 E85 W148	L60-H69 VanDerWaalsContact O-CA 3.25Å; L60-H69 WeakPolarHBondContact O-CA 3.29Å; L60-H69 WeakPolarHBondContact O-CB 3.46Å; L60-G70 PolarHBondContact O-N 3.19Å; L60-V77 HydrophobicContact CD1-CG1 4.09Å; L60-E85 HydrophobicContact CD2-CB 4Å; L60-E85 HydrophobicContact CD2-CG 4.26Å; L60-W148 HydrophobicContact CD1-CH2 3.58Å; L60-W148 HydrophobicContact CD1-CZ2 4.19Å; L60-W148 HydrophobicContact CD1-CZ3 4.34Å
61	Y	96.7	Very high	97.2	Very high	110 Å²	110	68.1 Å²	68.1	43%	0.431	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.9	172.1	-65.1	-81.4	0	0	0	110.1	P59 A64 I68 H69	P59-Y61 PolarHBondContact O-N 3.35Å; Y61-A64 HydrophobicContact CG-CB 4.42Å; Y61-I68 CarbonylContact C-O 3.55Å; Y61-I68 WeakPolarHBondContact CA-O 3.18Å; Y61-H69 AromaticContact CD1-CD2 3.99Å; Y61-H69 AromaticContact CE1-CD2 3.61Å; Y61-H69 AromaticContact CE1-CE1 3.96Å; Y61-H69 AromaticContact CE1-NE2 3.31Å; Y61-H69 VanDerWaalsContact CE1-NE2 3.31Å; Y61-H69 WeakPolarHBondContact CE1-NE2 3.36Å; Y61-H69 AromaticContact CZ-NE2 3.89Å
62	E	95.9	Very high	97.2	Very high	79 Å²	79	68.7 Å²	68.7	37%	0.369	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-34.6	168	-65.7	-169.2	164.1	0	0	111.3	P59 I68 T151	P59-E62 HydrophobicContact CG-CG 3.93Å; E62-I68 HydrophobicContact CB-CG2 4.36Å; E62-I68 PolarHBondContact N-O 3.27Å; E62-T151 WeakPolarHBondContact OE2-CG2 3.49Å; E62-T151 PolarHBondContact OE2-OG1 2.95Å
63	D	97.1	Very high	97.2	Very high	43 Å²	43	71.4 Å²	71.4	23%	0.23	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	97.1	171.9	-173.8	-29.4	0	0	0	109.4	E65 K66 R67 I68	D63-E65 VanDerWaalsContact C-N 3.29Å; D63-E65 PolarHBondContact O-N 3.4Å; D63-E65 WeakPolarHBondContact OD1-CB 3.2Å; D63-E65 PolarHBondContact OD1-N 3.07Å; D63-K66 HydrophobicContact CB-CB 4.29Å; D63-K66 CarbonylContact O-C 3.59Å; D63-K66 PolarHBondContact O-N 3.25Å; D63-K66 PolarHBondContact OD1-N 3.34Å; D63-K66 WeakPolarHBondContact OD2-CD 3.46Å; D63-K66 WeakPolarHBondContact OD2-CE 3.38Å; D63-K66 WeakPolarHBondContact OD2-CG 3.36Å; D63-K66 IonicContact OD2-NZ 2.8Å; D63-K66 PolarHBondContact OD2-NZ 3.4Å; D63-R67 WeakPolarHBondContact O-CA 3.45Å; D63-R67 PolarHBondContact O-N 2.87Å; D63-I68 HydrophobicContact CB-CB 3.98Å; D63-I68 HydrophobicContact CB-CG1 4.12Å; D63-I68 PolarHBondContact N-O 3.2Å; D63-I68 VanDerWaalsContact N-O 3.16Å; D63-I68 PolarHBondContact O-N 3.1Å
64	A	95.1	Very high	97.2	Very high	72 Å²	72	68.8 Å²	68.8	60%	0.595	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.4	-178.9	0	0	0	0	0	113.2	Y61 R67	Y61-A64 HydrophobicContact CG-CB 4.42Å; A64-R67 PolarHBondContact O-N 2.86Å
65	E	96.8	Very high	97.3	Very high	189 Å²	189	64.8 Å²	64.8	88%	0.883	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-37	178.9	-64.3	-173.2	171.3	0	0	111	D63	D63-E65 VanDerWaalsContact C-N 3.29Å; D63-E65 PolarHBondContact O-N 3.4Å; D63-E65 WeakPolarHBondContact OD1-CB 3.2Å; D63-E65 PolarHBondContact OD1-N 3.07Å
66	K	96.4	Very high	97.2	Very high	149 Å²	149	64.4 Å²	64.4	65%	0.648	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-2	178	-62.4	-172	-160.6	113.4	0	114.1	D63 I68	D63-K66 HydrophobicContact CB-CB 4.29Å; D63-K66 CarbonylContact O-C 3.59Å; D63-K66 PolarHBondContact O-N 3.25Å; D63-K66 PolarHBondContact OD1-N 3.34Å; D63-K66 WeakPolarHBondContact OD2-CD 3.46Å; D63-K66 WeakPolarHBondContact OD2-CE 3.38Å; D63-K66 WeakPolarHBondContact OD2-CG 3.36Å; D63-K66 IonicContact OD2-NZ 2.8Å; D63-K66 PolarHBondContact OD2-NZ 3.4Å; K66-I68 VanDerWaalsContact C-N 3.26Å; K66-I68 HydrophobicContact CB-CD1 4.47Å; K66-I68 HydrophobicContact CB-CG1 3.86Å; K66-I68 PolarHBondContact O-N 3.07Å
67	R	95.6	Very high	97.2	Very high	187 Å²	187	60 Å²	60	71%	0.706	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	41.5	-173.4	-60.2	179.4	168.1	161.7	-5.1	112.6	D63 A64 H69	D63-R67 WeakPolarHBondContact O-CA 3.45Å; D63-R67 PolarHBondContact O-N 2.87Å; A64-R67 PolarHBondContact O-N 2.86Å; R67-H69 PolarHBondContact O-CE1 3.16Å; R67-H69 PolarHBondContact O-ND1 2.99Å; R67-H69 VanDerWaalsContact O-ND1 3.14Å
68	I	98	Very high	97.1	Very high	34 Å²	34	56.8 Å²	56.8	17%	0.174	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.5	169.7	-53.9	-58.8	0	0	0	107.6	Y61 E62 D63 K66 Q149 T151	Y61-I68 CarbonylContact C-O 3.55Å; Y61-I68 WeakPolarHBondContact CA-O 3.18Å; E62-I68 HydrophobicContact CB-CG2 4.36Å; E62-I68 PolarHBondContact N-O 3.27Å; D63-I68 HydrophobicContact CB-CB 3.98Å; D63-I68 HydrophobicContact CB-CG1 4.12Å; D63-I68 PolarHBondContact N-O 3.2Å; D63-I68 VanDerWaalsContact N-O 3.16Å; D63-I68 PolarHBondContact O-N 3.1Å; K66-I68 VanDerWaalsContact C-N 3.26Å; K66-I68 HydrophobicContact CB-CD1 4.47Å; K66-I68 HydrophobicContact CB-CG1 3.86Å; K66-I68 PolarHBondContact O-N 3.07Å; I68-Q149 CarbonylContact C-O 3.58Å; I68-Q149 WeakPolarHBondContact CA-O 3.36Å; I68-Q149 HydrophobicContact CD1-CB 3.88Å; I68-T151 HydrophobicContact CG2-CG2 3.96Å
69	H	98.2	Very high	97.1	Very high	20 Å²	20	58.6 Å²	58.6	9%	0.093	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	158.6	-179.2	-56.2	75.9	0	0	0	110.2	L60 Y61 R67 W148 Q149	L60-H69 VanDerWaalsContact O-CA 3.25Å; L60-H69 WeakPolarHBondContact O-CA 3.29Å; L60-H69 WeakPolarHBondContact O-CB 3.46Å; Y61-H69 AromaticContact CD1-CD2 3.99Å; Y61-H69 AromaticContact CE1-CD2 3.61Å; Y61-H69 AromaticContact CE1-CE1 3.96Å; Y61-H69 AromaticContact CE1-NE2 3.31Å; Y61-H69 VanDerWaalsContact CE1-NE2 3.31Å; Y61-H69 WeakPolarHBondContact CE1-NE2 3.36Å; Y61-H69 AromaticContact CZ-NE2 3.89Å; R67-H69 PolarHBondContact O-CE1 3.16Å; R67-H69 PolarHBondContact O-ND1 2.99Å; R67-H69 VanDerWaalsContact O-ND1 3.14Å; H69-W148 HydrophobicContact CB-CB 4.28Å; H69-W148 HydrophobicContact CB-CD2 3.8Å; H69-W148 HydrophobicContact CB-CE3 3.46Å; H69-W148 VanDerWaalsContact CB-CE3 3.46Å; H69-W148 HydrophobicContact CB-CG 4.19Å; H69-W148 HydrophobicContact CB-CZ3 4.03Å; H69-W148 AromaticContact CD2-CD2 3.59Å; H69-W148 AromaticContact CD2-CE2 3.58Å; H69-W148 AromaticContact CD2-CE3 3.97Å; H69-W148 AromaticContact CD2-CZ2 3.92Å; H69-W148 AromaticContact CD2-NE1 3.98Å; H69-W148 AromaticContact CG-CD2 3.59Å; H69-W148 AromaticContact CG-CE3 3.8Å; H69-W148 AromaticContact CG-CG 3.77Å; H69-W148 AromaticContact ND1-CG 3.85Å; H69-W148 AromaticContact NE2-CE2 3.97Å; H69-W148 AromaticContact NE2-NE1 3.89Å; H69-Q149 PolarHBondContact N-O 2.9Å
70	G	97.9	Very high	97.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-63.1	151.3	161.9	0	0	0	0	0	110.7	P59 L60	P59-G70 VanDerWaalsContact O-CA 3.27Å; P59-G70 WeakPolarHBondContact O-CA 3.3Å; P59-G70 PolarHBondContact O-N 3.39Å; P59-G70 VanDerWaalsContact O-N 3.16Å; L60-G70 PolarHBondContact O-N 3.19Å
71	N	98	Very high	97.1	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.048	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-101.7	123.5	178.6	-170	-22.8	0	0	0	110.1	H73 D74 G75 T150 S152	N71-H73 PolarHBondContact O-N 2.65Å; N71-H73 WeakPolarHBondContact OD1-CB 3.41Å; N71-H73 PolarHBondContact OD1-CD2 3.37Å; N71-H73 VanDerWaalsContact OD1-CD2 3.25Å; N71-H73 PolarHBondContact OD1-N 2.78Å; N71-D74 HydrophobicContact CB-CB 4.25Å; N71-D74 VanDerWaalsContact CB-OD2 3.29Å; N71-D74 WeakPolarHBondContact CB-OD2 3.44Å; N71-D74 PolarHBondContact O-N 3.05Å; N71-G75 PolarHBondContact O-N 3.42Å; N71-T150 HydrophobicContact CB-CG2 3.83Å; N71-S152 PolarHBondContact ND2-OG 3.01Å
72	P	97.7	Very high	96.9	Very high	13 Å²	13	59.1 Å²	59.1	8%	0.084	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.6	176.2	26.2	-34.6	0	0	0	113.9	D74 G75 V77 A90 I155 V157	P72-D74 VanDerWaalsContact C-N 3.28Å; P72-G75 WeakPolarHBondContact CA-O 3.41Å; P72-V77 HydrophobicContact CB-CG2 4.04Å; P72-A90 HydrophobicContact CB-CB 4.33Å; P72-A90 WeakPolarHBondContact O-CB 3.23Å; P72-A90 PolarHBondContact O-N 2.86Å; P72-I155 HydrophobicContact CG-CD1 4.01Å; P72-V157 HydrophobicContact CG-CG1 4.29Å
73	H	97.5	Very high	96.7	Very high	62 Å²	62	56.8 Å²	56.8	29%	0.287	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.4	172.2	-62	-73.1	0	0	0	113.7	N71 A90 E92 E202	N71-H73 PolarHBondContact O-N 2.65Å; N71-H73 WeakPolarHBondContact OD1-CB 3.41Å; N71-H73 PolarHBondContact OD1-CD2 3.37Å; N71-H73 VanDerWaalsContact OD1-CD2 3.25Å; N71-H73 PolarHBondContact OD1-N 2.78Å; H73-A90 HydrophobicContact CB-CB 4.4Å; H73-A90 WeakPolarHBondContact ND1-CB 3.3Å; H73-E92 IonicContact CE1-OE1 3.23Å; H73-E92 IonicContact CE1-OE2 2.79Å; H73-E92 IonicContact CG-OE2 3.95Å; H73-E92 VanDerWaalsContact ND1-CD 3.32Å; H73-E92 IonicContact ND1-OE1 2.71Å; H73-E92 PolarHBondContact ND1-OE1 3.02Å; H73-E92 IonicContact ND1-OE2 3.7Å; H73-E92 PolarHBondContact ND1-OE2 2.8Å; H73-E202 IonicContact CE1-OE1 3.79Å
74	D	97.9	Very high	96.3	Very high	80 Å²	80	66.3 Å²	66.3	43%	0.428	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-14.5	178.5	-64.2	-39.4	0	0	0	112.4	V58 N71 P72	V58-D74 HydrophobicContact CG1-CB 4.21Å; N71-D74 HydrophobicContact CB-CB 4.25Å; N71-D74 VanDerWaalsContact CB-OD2 3.29Å; N71-D74 WeakPolarHBondContact CB-OD2 3.44Å; N71-D74 PolarHBondContact O-N 3.05Å; P72-D74 VanDerWaalsContact C-N 3.28Å
75	G	98.2	Very high	96	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	162.3	172.4	179.1	0	0	0	0	0	112.3	D56 N71 P72 V77	D56-G75 CarbonylContact O-C 3.51Å; D56-G75 VanDerWaalsContact O-CA 3.32Å; D56-G75 WeakPolarHBondContact O-CA 3.46Å; N71-G75 PolarHBondContact O-N 3.42Å; P72-G75 WeakPolarHBondContact CA-O 3.41Å; G75-V77 PolarHBondContact O-N 3.14Å
76	F	98.4	Very high	95.9	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	122.8	174.5	-174.5	-78.8	0	0	0	110.9	N28 L55 D56 F57 V58 G78 I80 A86 V89	N28-F76 HydrophobicContact CB-CZ 3.86Å; N28-F76 VanDerWaalsContact O-CE2 3.28Å; N28-F76 WeakPolarHBondContact O-CE2 3.25Å; L55-F76 HydrophobicContact CD2-CB 3.85Å; L55-F76 HydrophobicContact CD2-CD2 4.34Å; L55-F76 HydrophobicContact CD2-CG 4.4Å; L55-F76 HydrophobicContact CG-CB 4.27Å; D56-F76 PolarHBondContact O-N 2.86Å; F57-F76 WeakPolarHBondContact CA-O 3.35Å; F57-F76 HydrophobicContact CD1-CB 3.8Å; F57-F76 AromaticContact CD1-CD1 3.78Å; F57-F76 HydrophobicContact CD1-CD1 3.78Å; F57-F76 HydrophobicContact CD1-CG 4.14Å; F57-F76 HydrophobicContact CE1-CB 3.86Å; F57-F76 AromaticContact CE1-CD1 3.65Å; F57-F76 HydrophobicContact CE1-CD1 3.65Å; F57-F76 AromaticContact CE1-CG 3.9Å; F57-F76 HydrophobicContact CE1-CG 3.9Å; F57-F76 HydrophobicContact CG-CB 4.41Å; V58-F76 PolarHBondContact N-O 3.47Å; F76-G78 PolarHBondContact O-N 3.35Å; F76-I80 HydrophobicContact CD1-CB 4.06Å; F76-I80 HydrophobicContact CD2-CB 4.49Å; F76-I80 HydrophobicContact CD2-CD1 3.9Å; F76-I80 HydrophobicContact CD2-CG1 4.21Å; F76-I80 HydrophobicContact CE1-CB 3.65Å; F76-I80 HydrophobicContact CE1-CG1 4.21Å; F76-I80 HydrophobicContact CE2-CB 4.1Å; F76-I80 HydrophobicContact CE2-CD1 3.86Å; F76-I80 HydrophobicContact CE2-CG1 3.71Å; F76-I80 HydrophobicContact CG-CB 4.48Å; F76-I80 HydrophobicContact CG-CD1 4.38Å; F76-I80 HydrophobicContact CZ-CB 3.67Å; F76-I80 HydrophobicContact CZ-CD1 4.33Å; F76-I80 HydrophobicContact CZ-CG1 3.72Å; F76-A86 HydrophobicContact CE1-CB 4.12Å; F76-A86 HydrophobicContact CZ-CB 4.13Å; F76-V89 HydrophobicContact CB-CB 4.03Å; F76-V89 HydrophobicContact CB-CG2 4.4Å; F76-V89 HydrophobicContact CD2-CB 3.98Å; F76-V89 HydrophobicContact CD2-CG1 4.02Å; F76-V89 HydrophobicContact CG-CB 4.44Å
77	V	98.1	Very high	95.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114	-177.9	-171.9	0	0	0	0	110.3	V58 L60 P72 G75 A86 M87 G88 W148	V58-V77 HydrophobicContact CG2-CB 4.12Å; V58-V77 HydrophobicContact CG2-CG1 4.41Å; V58-V77 HydrophobicContact CG2-CG2 3.61Å; V58-V77 WeakPolarHBondContact O-CA 3.21Å; L60-V77 HydrophobicContact CD1-CG1 4.09Å; P72-V77 HydrophobicContact CB-CG2 4.04Å; G75-V77 PolarHBondContact O-N 3.14Å; V77-A86 CarbonylContact O-C 3.49Å; V77-A86 VanDerWaalsContact O-CA 3.25Å; V77-A86 WeakPolarHBondContact O-CA 3.11Å; V77-M87 HydrophobicContact CB-CB 3.78Å; V77-M87 HydrophobicContact CG1-CB 4.24Å; V77-M87 HydrophobicContact CG2-CB 4.26Å; V77-M87 PolarHBondContact O-N 2.93Å; V77-G88 PolarHBondContact N-O 3.32Å; V77-W148 HydrophobicContact CG1-CH2 4.41Å; V77-W148 HydrophobicContact CG1-CZ3 3.99Å
78	G	96	Very high	95.9	Very high	21 Å²	21	46.9 Å²	46.9	22%	0.216	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.6	-145.1	169.8	0	0	0	0	0	114.6	V58 F76 E85	V58-G78 PolarHBondContact O-N 3.01Å; F76-G78 PolarHBondContact O-N 3.35Å; G78-E85 CarbonylContact C-O 3.55Å; G78-E85 WeakPolarHBondContact CA-O 3.49Å
79	N	95.9	Very high	95.9	Very high	59 Å²	59	45.4 Å²	45.4	32%	0.316	23%	0.225	S	C	.	.			trans	-99.8	109	-174.3	-172.3	-3.5	0	0	0	112.4	N28 Y81 E82 E85 A86	N28-N79 PolarHBondContact ND2-O 3.34Å; N79-Y81 VanDerWaalsContact C-N 3.29Å; N79-Y81 PolarHBondContact O-N 3.03Å; N79-Y81 PolarHBondContact OD1-N 3.18Å; N79-E82 PolarHBondContact ND2-O 2.91Å; N79-E85 PolarHBondContact N-O 3.4Å; N79-A86 WeakPolarHBondContact O-CB 3.43Å
80	I	97.1	Very high	95.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.222	C	C	.	.	S	Bend	trans	-69.4	-25.7	179.7	-162.9	166	0	0	0	113.5	M26 E27 N28 I32 V52 L55 F57 F76	M26-I80 CarbonylContact C-O 3.55Å; M26-I80 HydrophobicContact CB-CG1 4.4Å; M26-I80 HydrophobicContact SD-CD1 4Å; M26-I80 HydrophobicContact SD-CG1 4.11Å; M26-I80 HydrophobicContact SD-CG2 4.45Å; E27-I80 PolarHBondContact N-O 3.29Å; N28-I80 PolarHBondContact N-O 2.93Å; I32-I80 HydrophobicContact CG2-CD1 3.97Å; V52-I80 HydrophobicContact CG2-CD1 3.94Å; V52-I80 HydrophobicContact CG2-CG2 4.18Å; L55-I80 HydrophobicContact CD2-CD1 4.14Å; F57-I80 HydrophobicContact CE1-CB 3.97Å; F57-I80 HydrophobicContact CE1-CG2 3.81Å; F57-I80 HydrophobicContact CZ-CB 4.41Å; F57-I80 HydrophobicContact CZ-CD1 4.46Å; F57-I80 HydrophobicContact CZ-CG2 3.92Å; F76-I80 HydrophobicContact CD1-CB 4.06Å; F76-I80 HydrophobicContact CD2-CB 4.49Å; F76-I80 HydrophobicContact CD2-CD1 3.9Å; F76-I80 HydrophobicContact CD2-CG1 4.21Å; F76-I80 HydrophobicContact CE1-CB 3.65Å; F76-I80 HydrophobicContact CE1-CG1 4.21Å; F76-I80 HydrophobicContact CE2-CB 4.1Å; F76-I80 HydrophobicContact CE2-CD1 3.86Å; F76-I80 HydrophobicContact CE2-CG1 3.71Å; F76-I80 HydrophobicContact CG-CB 4.48Å; F76-I80 HydrophobicContact CG-CD1 4.38Å; F76-I80 HydrophobicContact CZ-CB 3.67Å; F76-I80 HydrophobicContact CZ-CD1 4.33Å; F76-I80 HydrophobicContact CZ-CG1 3.72Å
81	Y	96.4	Very high	95.9	Very high	97 Å²	97	44.7 Å²	44.7	38%	0.38	22%	0.222	S	C	.	.	S	Bend	trans	-81.5	-41.9	-171.2	-62.8	-74.7	0	0	0	113.1	V24 M26 E27 N79	V24-Y81 HydrophobicContact CG1-CD1 3.85Å; V24-Y81 HydrophobicContact CG1-CE1 3.87Å; M26-Y81 HydrophobicContact CE-CE1 4.24Å; M26-Y81 HydrophobicContact CG-CD1 3.92Å; M26-Y81 HydrophobicContact CG-CE1 4.09Å; E27-Y81 WeakPolarHBondContact CB-O 3.29Å; E27-Y81 WeakPolarHBondContact CG-O 3.17Å; E27-Y81 PolarHBondContact N-O 3.06Å; N79-Y81 VanDerWaalsContact C-N 3.29Å; N79-Y81 PolarHBondContact O-N 3.03Å; N79-Y81 PolarHBondContact OD1-N 3.18Å
82	E	93.4	Very high	95.9	Very high	126 Å²	126	47.2 Å²	47.2	59%	0.589	23%	0.234	S	C	*	.	S	Bend	trans	-157.7	154.9	-173.6	61.5	180	-169	0	0	113.5	E27 N79	E27-E82 VanDerWaalsContact OE2-CA 3.3Å; E27-E82 WeakPolarHBondContact OE2-CA 3.42Å; N79-E82 PolarHBondContact ND2-O 2.91Å
83	G	90.6	Very high	96	Very high	30 Å²	30	46.8 Å²	46.8	31%	0.309	23%	0.231	S	C	.	.	S	Bend	trans	85.4	-178.3	165.9	0	0	0	0	0	115.1	E27 N28	E27-G83 PolarHBondContact OE2-N 3.5Å; N28-G83 PolarHBondContact ND2-O 3.5Å; N28-G83 VanDerWaalsContact ND2-O 3.07Å
84	Y	88.9	Confident	96	Very high	243 Å²	243	43.8 Å²	43.8	95%	0.953	22%	0.217	S	C	*	.	S	Bend	trans	-95.7	5.5	-173	-55.6	-68.9	0	0	0	113.8	A86	Y84-A86 VanDerWaalsContact C-N 3.25Å; Y84-A86 PolarHBondContact O-N 2.9Å
85	E	90.2	Very high	96.1	Very high	139 Å²	139	40.5 Å²	40.5	65%	0.65	20%	0.201	S	C	*	.	S	Bend	trans	-93	52.3	177.6	-64.2	-165.9	131.1	0	0	110.6	L60 G78 N79	L60-E85 HydrophobicContact CD2-CB 4Å; L60-E85 HydrophobicContact CD2-CG 4.26Å; G78-E85 CarbonylContact C-O 3.55Å; G78-E85 WeakPolarHBondContact CA-O 3.49Å; N79-E85 PolarHBondContact N-O 3.4Å
86	A	93.8	Very high	96.1	Very high	24 Å²	24	45.8 Å²	45.8	20%	0.198	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.8	178.6	0	0	0	0	0	111.4	N28 F76 V77 N79 Y84	N28-A86 HydrophobicContact CB-CB 4.07Å; N28-A86 WeakPolarHBondContact ND2-CB 3.48Å; F76-A86 HydrophobicContact CE1-CB 4.12Å; F76-A86 HydrophobicContact CZ-CB 4.13Å; V77-A86 CarbonylContact O-C 3.49Å; V77-A86 VanDerWaalsContact O-CA 3.25Å; V77-A86 WeakPolarHBondContact O-CA 3.11Å; N79-A86 WeakPolarHBondContact O-CB 3.43Å; Y84-A86 VanDerWaalsContact C-N 3.25Å; Y84-A86 PolarHBondContact O-N 2.9Å
87	M	95	Very high	96.1	Very high	22 Å²	22	45.8 Å²	45.8	11%	0.108	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-27.8	172.4	-159.2	57.2	-95.1	0	0	113.6	V77 W148 V157 S158 C161	V77-M87 HydrophobicContact CB-CB 3.78Å; V77-M87 HydrophobicContact CG1-CB 4.24Å; V77-M87 HydrophobicContact CG2-CB 4.26Å; V77-M87 PolarHBondContact O-N 2.93Å; M87-W148 HydrophobicContact CB-CH2 3.62Å; M87-W148 HydrophobicContact CB-CZ3 3.8Å; M87-W148 HydrophobicContact CG-CE3 4.49Å; M87-W148 HydrophobicContact CG-CH2 3.55Å; M87-W148 HydrophobicContact CG-CZ2 4.3Å; M87-W148 HydrophobicContact CG-CZ3 3.64Å; M87-W148 HydrophobicContact SD-CH2 3.55Å; M87-W148 VanDerWaalsContact SD-CH2 3.55Å; M87-W148 HydrophobicContact SD-CZ2 3.71Å; M87-W148 HydrophobicContact SD-CZ3 4.15Å; M87-V157 HydrophobicContact CE-CB 4.34Å; M87-V157 HydrophobicContact CG-CB 3.94Å; M87-V157 HydrophobicContact CG-CG1 4.07Å; M87-V157 HydrophobicContact CG-CG2 4.22Å; M87-V157 HydrophobicContact SD-CB 3.68Å; M87-V157 HydrophobicContact SD-CG1 4.42Å; M87-V157 HydrophobicContact SD-CG2 3.54Å; M87-V157 VanDerWaalsContact SD-CG2 3.54Å; M87-S158 WeakPolarHBondContact CE-O 3.38Å; M87-C161 HydrophobicContact CE-CB 4.25Å
88	G	96.3	Very high	96.1	Very high	4 Å²	4	45.8 Å²	45.8	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.7	-163.5	-165.2	0	0	0	0	0	111.4	E31 V77	E31-G88 VanDerWaalsContact OE1-CA 3.31Å; E31-G88 WeakPolarHBondContact OE1-CA 3.43Å; V77-G88 PolarHBondContact N-O 3.32Å
89	V	98.2	Very high	96.3	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	24%	0.235	C	C	.	.			trans	-144.4	145.1	-177.4	62.1	0	0	0	0	109.7	E31 L55 F76 P93 I94	E31-V89 HydrophobicContact CB-CG1 3.51Å; E31-V89 HydrophobicContact CG-CG1 3.66Å; E31-V89 PolarHBondContact OE1-N 2.83Å; L55-V89 HydrophobicContact CD1-CG2 4.32Å; F76-V89 HydrophobicContact CB-CB 4.03Å; F76-V89 HydrophobicContact CB-CG2 4.4Å; F76-V89 HydrophobicContact CD2-CB 3.98Å; F76-V89 HydrophobicContact CD2-CG1 4.02Å; F76-V89 HydrophobicContact CG-CB 4.44Å; V89-P93 HydrophobicContact CG2-CB 3.63Å; V89-P93 HydrophobicContact CG2-CG 3.62Å; V89-I94 HydrophobicContact CG1-CD1 3.63Å; V89-I94 HydrophobicContact CG1-CG1 3.68Å; V89-I94 HydrophobicContact CG2-CG1 4.47Å
90	A	98.1	Very high	96.4	Very high	2 Å²	2	51.7 Å²	51.7	2%	0.017	25%	0.248	C	C	.	.			trans	-81.6	179.7	176.5	0	0	0	0	0	111.2	P72 H73 E92 P93 I94 E202	P72-A90 HydrophobicContact CB-CB 4.33Å; P72-A90 WeakPolarHBondContact O-CB 3.23Å; P72-A90 PolarHBondContact O-N 2.86Å; H73-A90 HydrophobicContact CB-CB 4.4Å; H73-A90 WeakPolarHBondContact ND1-CB 3.3Å; A90-E92 VanDerWaalsContact C-N 3.29Å; A90-E92 VanDerWaalsContact CB-OE2 3.3Å; A90-E92 WeakPolarHBondContact CB-OE2 3.32Å; A90-E92 PolarHBondContact O-N 2.77Å; A90-P93 WeakPolarHBondContact O-CD 3.06Å; A90-I94 WeakPolarHBondContact O-CG1 3.29Å; A90-E202 WeakPolarHBondContact CA-OE2 3.11Å; A90-E202 VanDerWaalsContact CB-OE2 3.29Å; A90-E202 WeakPolarHBondContact CB-OE2 3.36Å
91	V	98.6	Very high	96.4	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-28.6	-177.2	71.5	0	0	0	0	113	I94 A95 A110 W130 E202 S203 L204	V91-I94 PolarHBondContact O-N 2.78Å; V91-A95 WeakPolarHBondContact O-CB 3.22Å; V91-A95 PolarHBondContact O-N 3.39Å; V91-A110 HydrophobicContact CG2-CB 3.88Å; V91-W130 HydrophobicContact CB-CH2 4.37Å; V91-W130 HydrophobicContact CB-CZ3 3.88Å; V91-W130 HydrophobicContact CG2-CE3 4.21Å; V91-W130 HydrophobicContact CG2-CZ3 3.74Å; V91-E202 HydrophobicContact CB-CB 4.17Å; V91-E202 HydrophobicContact CG1-CB 4.37Å; V91-E202 HydrophobicContact CG1-CG 4.29Å; V91-E202 PolarHBondContact N-OE2 2.67Å; V91-S203 WeakPolarHBondContact CG2-O 3.29Å; V91-L204 HydrophobicContact CG2-CB 3.83Å; V91-L204 HydrophobicContact CG2-CD1 4.37Å
92	E	98.4	Very high	96.5	Very high	62 Å²	62	48.5 Å²	48.5	29%	0.29	24%	0.239	S	C	.	.	H	α-helix	trans	-65.3	-53.4	-173.8	-59.3	85.7	166	0	0	112.5	H73 A90 I94 A95 E96	H73-E92 IonicContact CE1-OE1 3.23Å; H73-E92 IonicContact CE1-OE2 2.79Å; H73-E92 IonicContact CG-OE2 3.95Å; H73-E92 VanDerWaalsContact ND1-CD 3.32Å; H73-E92 IonicContact ND1-OE1 2.71Å; H73-E92 PolarHBondContact ND1-OE1 3.02Å; H73-E92 IonicContact ND1-OE2 3.7Å; H73-E92 PolarHBondContact ND1-OE2 2.8Å; A90-E92 VanDerWaalsContact C-N 3.29Å; A90-E92 VanDerWaalsContact CB-OE2 3.3Å; A90-E92 WeakPolarHBondContact CB-OE2 3.32Å; A90-E92 PolarHBondContact O-N 2.77Å; E92-I94 VanDerWaalsContact C-N 3.27Å; E92-I94 PolarHBondContact O-N 3.1Å; E92-A95 WeakPolarHBondContact O-CB 3.33Å; E92-A95 PolarHBondContact O-N 3.21Å; E92-A95 VanDerWaalsContact O-N 3.1Å; E92-E96 PolarHBondContact O-N 3.23Å; E92-E96 VanDerWaalsContact O-N 3.09Å
93	P	98.6	Very high	96.5	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-31.5	176.2	-21.3	34.9	0	0	0	112.7	L55 V89 A90 A95 E96 V97	L55-P93 HydrophobicContact CD1-CB 4.14Å; V89-P93 HydrophobicContact CG2-CB 3.63Å; V89-P93 HydrophobicContact CG2-CG 3.62Å; A90-P93 WeakPolarHBondContact O-CD 3.06Å; P93-A95 VanDerWaalsContact C-N 3.31Å; P93-A95 PolarHBondContact O-N 3.27Å; P93-E96 PolarHBondContact O-N 2.97Å; P93-V97 PolarHBondContact O-N 3.18Å; P93-V97 VanDerWaalsContact O-N 3.15Å
94	I	98.8	Very high	96.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-37.5	173.8	-66.6	-64.8	0	0	0	110.9	E31 I32 L35 L55 V89 A90 V91 E92 E96 V97 A98 W130 L204	E31-I94 HydrophobicContact CB-CD1 3.81Å; E31-I94 HydrophobicContact CB-CG1 4.16Å; I32-I94 HydrophobicContact CD1-CD1 4.15Å; L35-I94 HydrophobicContact CB-CG2 4.14Å; L35-I94 HydrophobicContact CD1-CG2 4.25Å; L35-I94 HydrophobicContact CD2-CG2 4.06Å; L35-I94 HydrophobicContact CG-CG2 4.35Å; L55-I94 HydrophobicContact CD1-CD1 4.18Å; V89-I94 HydrophobicContact CG1-CD1 3.63Å; V89-I94 HydrophobicContact CG1-CG1 3.68Å; V89-I94 HydrophobicContact CG2-CG1 4.47Å; A90-I94 WeakPolarHBondContact O-CG1 3.29Å; V91-I94 PolarHBondContact O-N 2.78Å; E92-I94 VanDerWaalsContact C-N 3.27Å; E92-I94 PolarHBondContact O-N 3.1Å; I94-E96 VanDerWaalsContact C-N 3.34Å; I94-V97 PolarHBondContact O-N 3.07Å; I94-A98 WeakPolarHBondContact O-CB 3.48Å; I94-A98 PolarHBondContact O-N 3.06Å; I94-W130 HydrophobicContact CG1-CZ2 4.15Å; I94-W130 HydrophobicContact CG2-CZ2 4.22Å; I94-L204 HydrophobicContact CG2-CD1 4.15Å
95	A	98.7	Very high	97	Very high	10 Å²	10	47 Å²	47	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-67.4	-34.4	174.7	0	0	0	0	0	112.4	V91 E92 P93 A98 N99 V108 A110 L204	V91-A95 WeakPolarHBondContact O-CB 3.22Å; V91-A95 PolarHBondContact O-N 3.39Å; E92-A95 WeakPolarHBondContact O-CB 3.33Å; E92-A95 PolarHBondContact O-N 3.21Å; E92-A95 VanDerWaalsContact O-N 3.1Å; P93-A95 VanDerWaalsContact C-N 3.31Å; P93-A95 PolarHBondContact O-N 3.27Å; A95-A98 PolarHBondContact O-N 2.91Å; A95-N99 WeakPolarHBondContact O-CB 3.42Å; A95-N99 PolarHBondContact O-N 3.47Å; A95-N99 PolarHBondContact O-ND2 3.36Å; A95-V108 HydrophobicContact CB-CG1 4.09Å; A95-A110 HydrophobicContact CB-CB 3.57Å; A95-L204 HydrophobicContact CB-CD1 3.75Å
96	E	98.6	Very high	97.3	Very high	112 Å²	112	41.4 Å²	41.4	52%	0.523	21%	0.214	S	C	.	.	H	α-helix	trans	-63.3	-47.5	174.1	-66.8	-174.8	170.6	0	0	111.2	E92 P93 I94 A98 N99 E100	E92-E96 PolarHBondContact O-N 3.23Å; E92-E96 VanDerWaalsContact O-N 3.09Å; P93-E96 PolarHBondContact O-N 2.97Å; I94-E96 VanDerWaalsContact C-N 3.34Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 2.91Å; E96-N99 PolarHBondContact O-N 3.36Å; E96-N99 VanDerWaalsContact O-N 3.16Å; E96-E100 PolarHBondContact O-N 2.98Å
97	V	98.8	Very high	97.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-57.6	-46.1	173.4	178.2	0	0	0	0	111.2	I32 L35 L51 L54 L55 P93 I94 N99 E100 V101	I32-V97 HydrophobicContact CD1-CG1 4.14Å; I32-V97 HydrophobicContact CD1-CG2 4.42Å; L35-V97 HydrophobicContact CD2-CB 3.79Å; L35-V97 HydrophobicContact CD2-CG1 3.57Å; L51-V97 HydrophobicContact CB-CG1 4.19Å; L51-V97 HydrophobicContact CD2-CG1 4.03Å; L54-V97 HydrophobicContact CB-CG1 4.06Å; L54-V97 HydrophobicContact CB-CG2 4.11Å; L54-V97 HydrophobicContact CD1-CG1 4.32Å; L55-V97 HydrophobicContact CB-CG2 4.11Å; L55-V97 HydrophobicContact CD1-CG2 3.96Å; P93-V97 PolarHBondContact O-N 3.18Å; P93-V97 VanDerWaalsContact O-N 3.15Å; I94-V97 PolarHBondContact O-N 3.07Å; V97-N99 VanDerWaalsContact C-N 3.32Å; V97-N99 PolarHBondContact O-N 3.17Å; V97-E100 PolarHBondContact O-N 3.43Å; V97-V101 WeakPolarHBondContact O-CG2 3.47Å; V97-V101 PolarHBondContact O-N 3.04Å
98	A	98.7	Very high	97.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-44.6	177.6	0	0	0	0	0	111.6	L35 I94 A95 E96 E100 V101 V102 V108 L204	L35-A98 HydrophobicContact CD1-CB 3.82Å; L35-A98 HydrophobicContact CD2-CB 4.42Å; I94-A98 WeakPolarHBondContact O-CB 3.48Å; I94-A98 PolarHBondContact O-N 3.06Å; A95-A98 PolarHBondContact O-N 2.91Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 2.91Å; A98-E100 PolarHBondContact O-N 2.91Å; A98-V101 PolarHBondContact O-N 3.16Å; A98-V102 WeakPolarHBondContact O-CG1 3.28Å; A98-V102 WeakPolarHBondContact O-CG2 3.4Å; A98-V102 PolarHBondContact O-N 3.06Å; A98-V108 HydrophobicContact CB-CG1 4.08Å; A98-V108 HydrophobicContact CB-CG2 3.84Å; A98-L204 HydrophobicContact CB-CD1 4.28Å
99	N	98.3	Very high	97.7	Very high	76 Å²	76	45.5 Å²	45.5	41%	0.406	23%	0.228	S	C	.	.	H	α-helix	trans	-63.7	-40.1	-179.7	-83	-65.4	0	0	0	112.6	A95 E96 V97 V101 Q103 V108	A95-N99 WeakPolarHBondContact O-CB 3.42Å; A95-N99 PolarHBondContact O-N 3.47Å; A95-N99 PolarHBondContact O-ND2 3.36Å; E96-N99 PolarHBondContact O-N 3.36Å; E96-N99 VanDerWaalsContact O-N 3.16Å; V97-N99 VanDerWaalsContact C-N 3.32Å; V97-N99 PolarHBondContact O-N 3.17Å; N99-V101 VanDerWaalsContact C-N 3.26Å; N99-V101 PolarHBondContact O-N 3.42Å; N99-Q103 WeakPolarHBondContact O-CA 3.2Å; N99-Q103 PolarHBondContact O-N 3.34Å; N99-V108 HydrophobicContact CB-CG2 4.35Å; N99-V108 VanDerWaalsContact OD1-CG2 3.31Å; N99-V108 WeakPolarHBondContact OD1-CG2 3.2Å
100	E	98.2	Very high	97.7	Very high	128 Å²	128	47 Å²	47	60%	0.598	24%	0.241	S	C	*	.	H	α-helix	trans	-60.7	-35.9	176.4	-73.6	-62.6	140.2	0	0	112.2	L54 E96 V97 A98 Q103	L54-E100 HydrophobicContact CD1-CB 4.32Å; E96-E100 PolarHBondContact O-N 2.98Å; V97-E100 PolarHBondContact O-N 3.43Å; A98-E100 PolarHBondContact O-N 2.91Å; E100-Q103 VanDerWaalsContact O-CG 3.27Å; E100-Q103 WeakPolarHBondContact O-CG 3.33Å; E100-Q103 PolarHBondContact O-NE2 3.43Å
101	V	98.2	Very high	97.6	Very high	30 Å²	30	49.4 Å²	49.4	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-79.8	-52.6	178.9	179.2	0	0	0	0	112.1	L39 Y44 T46 L51 L54 V97 A98 N99	L39-V101 HydrophobicContact CD1-CB 4.28Å; L39-V101 HydrophobicContact CD1-CG1 4.16Å; L39-V101 HydrophobicContact CD1-CG2 4.21Å; L39-V101 HydrophobicContact CD2-CB 4.26Å; L39-V101 HydrophobicContact CD2-CG1 3.97Å; Y44-V101 HydrophobicContact CD1-CG1 3.92Å; Y44-V101 HydrophobicContact CG-CG1 3.94Å; T46-V101 HydrophobicContact CG2-CG1 3.97Å; L51-V101 HydrophobicContact CD2-CG2 3.64Å; L54-V101 HydrophobicContact CD1-CG2 4.07Å; V97-V101 WeakPolarHBondContact O-CG2 3.47Å; V97-V101 PolarHBondContact O-N 3.04Å; A98-V101 PolarHBondContact O-N 3.16Å; N99-V101 VanDerWaalsContact C-N 3.26Å; N99-V101 PolarHBondContact O-N 3.42Å
102	V	97.8	Very high	97.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-75.1	-29.8	-172.1	-52.7	0	0	0	0	112.5	L39 Y44 A98 D104 N105 Q106 V108 L206	L39-V102 HydrophobicContact CD2-CG1 3.6Å; Y44-V102 HydrophobicContact CD2-CG1 4.46Å; Y44-V102 HydrophobicContact CE1-CB 4.46Å; Y44-V102 HydrophobicContact CE1-CG1 4.45Å; Y44-V102 HydrophobicContact CE2-CB 4.36Å; Y44-V102 HydrophobicContact CE2-CG1 3.66Å; Y44-V102 WeakPolarHBondContact OH-CA 3.29Å; Y44-V102 VanDerWaalsContact OH-CB 3.25Å; Y44-V102 WeakPolarHBondContact OH-CB 3.39Å; Y44-V102 WeakPolarHBondContact OH-CG1 3.44Å; A98-V102 WeakPolarHBondContact O-CG1 3.28Å; A98-V102 WeakPolarHBondContact O-CG2 3.4Å; A98-V102 PolarHBondContact O-N 3.06Å; V102-D104 PolarHBondContact O-N 3.33Å; V102-N105 WeakPolarHBondContact O-CB 3.24Å; V102-N105 PolarHBondContact O-N 2.9Å; V102-N105 PolarHBondContact O-ND2 2.92Å; V102-Q106 HydrophobicContact CB-CB 4.46Å; V102-V108 HydrophobicContact CG2-CG2 3.6Å; V102-L206 HydrophobicContact CG1-CD1 3.77Å; V102-L206 HydrophobicContact CG1-CD2 4.07Å
103	Q	94.6	Very high	97.3	Very high	131 Å²	131	56.3 Å²	56.3	61%	0.612	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	-118.3	-178.5	-57.1	-179	-16.4	0	0	111.5	N99 E100	N99-Q103 WeakPolarHBondContact O-CA 3.2Å; N99-Q103 PolarHBondContact O-N 3.34Å; E100-Q103 VanDerWaalsContact O-CG 3.27Å; E100-Q103 WeakPolarHBondContact O-CG 3.33Å; E100-Q103 PolarHBondContact O-NE2 3.43Å
104	D	93	Very high	97.2	Very high	131 Å²	131	57 Å²	57	70%	0.701	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.3	-177.6	-85	-41	0	0	0	114.9	V102 K209	V102-D104 PolarHBondContact O-N 3.33Å; D104-K209 VanDerWaalsContact CA-NZ 3.26Å; D104-K209 WeakPolarHBondContact O-CD 3.36Å; D104-K209 WeakPolarHBondContact O-CE 3.45Å; D104-K209 PolarHBondContact O-NZ 3.06Å; D104-K209 IonicContact OD1-NZ 2.8Å; D104-K209 PolarHBondContact OD1-NZ 2.71Å
105	N	95.5	Very high	97.2	Very high	106 Å²	106	59.5 Å²	59.5	57%	0.567	31%	0.314	S	S	*	.	S	Bend	trans	-73	-38.4	-171.5	-57.9	-63.8	0	0	0	112.4	V102	V102-N105 WeakPolarHBondContact O-CB 3.24Å; V102-N105 PolarHBondContact O-N 2.9Å; V102-N105 PolarHBondContact O-ND2 2.92Å
106	Q	96.7	Very high	97.2	Very high	21 Å²	21	59.4 Å²	59.4	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	165.9	176.7	-78.2	95.7	-57.8	0	0	109.9	Y44 V102 L206 E207 K209	Y44-Q106 PolarHBondContact OH-NE2 3.25Å; Y44-Q106 PolarHBondContact OH-OE1 3.22Å; V102-Q106 HydrophobicContact CB-CB 4.46Å; Q106-L206 HydrophobicContact CB-CB 4.33Å; Q106-E207 WeakPolarHBondContact CA-O 3.45Å; Q106-E207 WeakPolarHBondContact CB-O 2.98Å; Q106-K209 WeakPolarHBondContact O-CE 3.49Å
107	K	97.9	Very high	97.1	Very high	105 Å²	105	58 Å²	58	46%	0.457	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.5	170.4	176.1	-172.5	161.3	-140.4	0	108.8	V109 L206 E207 K209	K107-V109 HydrophobicContact CD-CG2 4.37Å; K107-V109 HydrophobicContact CG-CG2 4.42Å; K107-L206 WeakPolarHBondContact O-CA 3.27Å; K107-E207 HydrophobicContact CB-CB 4.41Å; K107-E207 PolarHBondContact N-O 3.38Å; K107-E207 IonicContact NZ-OE2 3.18Å; K107-E207 PolarHBondContact NZ-OE2 2.92Å; K107-E207 PolarHBondContact O-N 2.95Å; K107-K209 HydrophobicContact CB-CG 4.39Å
108	V	98.4	Very high	97	Very high	19 Å²	19	61 Å²	61	12%	0.115	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.7	168.5	-175.7	0	0	0	0	108.8	A95 A98 N99 V102 L204 L206	A95-V108 HydrophobicContact CB-CG1 4.09Å; A98-V108 HydrophobicContact CB-CG1 4.08Å; A98-V108 HydrophobicContact CB-CG2 3.84Å; N99-V108 HydrophobicContact CB-CG2 4.35Å; N99-V108 VanDerWaalsContact OD1-CG2 3.31Å; N99-V108 WeakPolarHBondContact OD1-CG2 3.2Å; V102-V108 HydrophobicContact CG2-CG2 3.6Å; V108-L204 HydrophobicContact CG1-CD1 3.75Å; V108-L204 HydrophobicContact CG1-CD2 4.38Å; V108-L204 HydrophobicContact CG1-CG 4Å; V108-L206 HydrophobicContact CB-CD2 4.34Å; V108-L206 HydrophobicContact CG2-CD2 3.84Å
109	V	98.2	Very high	97	Very high	12 Å²	12	61 Å²	61	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.4	169.6	-176.3	0	0	0	0	107.7	K107 L204 Y205 E207	K107-V109 HydrophobicContact CD-CG2 4.37Å; K107-V109 HydrophobicContact CG-CG2 4.42Å; V109-L204 CarbonylContact O-C 3.57Å; V109-L204 VanDerWaalsContact O-CA 3.24Å; V109-L204 WeakPolarHBondContact O-CA 3.46Å; V109-Y205 HydrophobicContact CB-CD1 4.24Å; V109-Y205 HydrophobicContact CB-CD2 4.22Å; V109-Y205 HydrophobicContact CB-CE1 3.87Å; V109-Y205 HydrophobicContact CB-CE2 3.88Å; V109-Y205 HydrophobicContact CB-CG 4.4Å; V109-Y205 HydrophobicContact CG1-CD1 4.39Å; V109-Y205 HydrophobicContact CG1-CE1 3.63Å; V109-Y205 HydrophobicContact CG1-CE2 4.27Å; V109-Y205 HydrophobicContact CG2-CD2 4.5Å; V109-Y205 HydrophobicContact CG2-CE2 3.96Å; V109-Y205 PolarHBondContact N-O 3.5Å; V109-Y205 PolarHBondContact O-N 2.9Å; V109-E207 VanDerWaalsContact CG2-CD 3.46Å; V109-E207 HydrophobicContact CG2-CG 3.78Å; V109-E207 WeakPolarHBondContact CG2-OE2 3.4Å
110	A	98.3	Very high	96.9	Very high	36 Å²	36	57.8 Å²	57.8	30%	0.298	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.4	-178.9	0	0	0	0	0	108.8	V91 A95 S203 L204	V91-A110 HydrophobicContact CG2-CB 3.88Å; A95-A110 HydrophobicContact CB-CB 3.57Å; A110-S203 WeakPolarHBondContact CA-O 3.31Å; A110-L204 HydrophobicContact CB-CD1 4.12Å; A110-L204 HydrophobicContact CB-CG 4.35Å
111	N	96.2	Very high	96.8	Very high	51 Å²	51	58.6 Å²	58.6	27%	0.273	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.6	-174.2	-58.1	-42.4	0	0	0	110.7	T114 E202 S203	N111-T114 VanDerWaalsContact CB-OG1 3.22Å; N111-T114 WeakPolarHBondContact CB-OG1 3.39Å; N111-T114 PolarHBondContact ND2-OG1 2.52Å; N111-T114 VanDerWaalsContact ND2-OG1 3.08Å; N111-E202 WeakPolarHBondContact O-CA 3.48Å; N111-S203 PolarHBondContact N-O 3.09Å; N111-S203 PolarHBondContact O-N 2.66Å; N111-S203 PolarHBondContact O-OG 3.48Å
112	N	95.1	Very high	96.8	Very high	83 Å²	83	58.3 Å²	58.3	44%	0.444	30%	0.302	S	S	.	.	S	Bend	trans	-123.7	20.4	172.6	57.4	15.6	0	0	0	112.1	G200 S201 E202	N112-G200 VanDerWaalsContact O-O 3.09Å; N112-S201 WeakPolarHBondContact CA-O 3.32Å; N112-E202 HydrophobicContact CB-CG 4.21Å
113	D	95.5	Very high	96.8	Very high	127 Å²	127	58.8 Å²	58.8	68%	0.679	31%	0.305	S	S	*	.	S	Bend	trans	-141.6	5.6	-177.2	69.5	-16.7	0	0	0	113.9	S115	D113-S115 PolarHBondContact O-N 3.29Å
114	T	96.6	Very high	96.8	Very high	19 Å²	19	57.3 Å²	57.3	12%	0.117	30%	0.298	C	S	.	.			trans	-67.6	132.3	177.3	-46.2	0	0	0	0	109.6	N111 D118 L119 Y196 S203	N111-T114 VanDerWaalsContact CB-OG1 3.22Å; N111-T114 WeakPolarHBondContact CB-OG1 3.39Å; N111-T114 PolarHBondContact ND2-OG1 2.52Å; N111-T114 VanDerWaalsContact ND2-OG1 3.08Å; T114-D118 HydrophobicContact CG2-CB 3.84Å; T114-L119 HydrophobicContact CG2-CD2 3.72Å; T114-L119 HydrophobicContact CG2-CG 3.9Å; T114-Y196 VanDerWaalsContact O-CE1 3.3Å; T114-Y196 WeakPolarHBondContact O-CE1 3.03Å; T114-Y196 PolarHBondContact O-OH 2.93Å; T114-S203 PolarHBondContact OG1-OG 3.38Å
115	S	97.7	Very high	96.9	Very high	52 Å²	52	56.4 Å²	56.4	36%	0.364	30%	0.298	S	S	.	.			trans	-71.3	149.8	172.3	76	0	0	0	0	110.9	D113 D117 D118 L119	D113-S115 PolarHBondContact O-N 3.29Å; S115-D117 PolarHBondContact O-N 3.5Å; S115-D118 PolarHBondContact O-N 3.4Å; S115-D118 WeakPolarHBondContact OG-CB 3.41Å; S115-D118 PolarHBondContact OG-N 2.74Å; S115-D118 PolarHBondContact OG-OD2 2.85Å; S115-L119 PolarHBondContact O-N 3.4Å
116	F	98.1	Very high	96.9	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-38.1	177.1	-171	-105.9	0	0	0	112.1	D118 L119 V120 I166 V174 R189 F192 E193 Y196	F116-D118 VanDerWaalsContact C-N 3.3Å; F116-D118 PolarHBondContact O-N 3.39Å; F116-L119 WeakPolarHBondContact O-CB 3.47Å; F116-L119 PolarHBondContact O-N 2.85Å; F116-L119 VanDerWaalsContact O-N 3.14Å; F116-V120 HydrophobicContact CD1-CG2 4.01Å; F116-V120 HydrophobicContact CE1-CG2 3.67Å; F116-V120 HydrophobicContact CZ-CG2 4.1Å; F116-V120 WeakPolarHBondContact O-CG2 3.27Å; F116-V120 PolarHBondContact O-N 2.81Å; F116-I166 HydrophobicContact CE2-CD1 4.36Å; F116-V174 HydrophobicContact CE1-CG2 4.41Å; F116-V174 HydrophobicContact CZ-CG2 3.65Å; F116-R189 HydrophobicContact CE1-CG 4.13Å; F116-F192 HydrophobicContact CD2-CD1 4.48Å; F116-F192 AromaticContact CE2-CD1 3.62Å; F116-F192 HydrophobicContact CE2-CD1 3.62Å; F116-F192 AromaticContact CE2-CE1 3.87Å; F116-F192 HydrophobicContact CE2-CE1 3.87Å; F116-F192 HydrophobicContact CZ-CD1 4.06Å; F116-E193 HydrophobicContact CB-CB 4.47Å; F116-E193 HydrophobicContact CB-CG 3.75Å; F116-E193 HydrophobicContact CD1-CB 3.87Å; F116-E193 HydrophobicContact CD1-CG 3.85Å; F116-E193 HydrophobicContact CE1-CB 4.31Å; F116-E193 HydrophobicContact CG-CB 4.07Å; F116-E193 HydrophobicContact CG-CG 3.88Å; F116-Y196 HydrophobicContact CB-CD1 4.06Å; F116-Y196 HydrophobicContact CB-CE1 4.39Å; F116-Y196 AromaticContact CD2-CD1 3.98Å; F116-Y196 HydrophobicContact CD2-CD1 3.98Å; F116-Y196 HydrophobicContact CD2-CG 4.38Å
117	D	97.4	Very high	97	Very high	82 Å²	82	52.8 Å²	52.8	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-36.1	174.2	-88.7	-15.9	0	0	0	113.4	S115 R121 R189	S115-D117 PolarHBondContact O-N 3.5Å; D117-R121 WeakPolarHBondContact O-CG 3.39Å; D117-R121 PolarHBondContact O-N 3.47Å; D117-R189 IonicContact OD1-NH2 3.93Å
118	D	97.7	Very high	97	Very high	66 Å²	66	47.8 Å²	47.8	35%	0.353	26%	0.264	S	S	.	.	H	α-helix	trans	-72.4	-37.9	174.9	-66.2	-39.5	0	0	0	111.1	T114 S115 F116 V120 R121 V122	T114-D118 HydrophobicContact CG2-CB 3.84Å; S115-D118 PolarHBondContact O-N 3.4Å; S115-D118 WeakPolarHBondContact OG-CB 3.41Å; S115-D118 PolarHBondContact OG-N 2.74Å; S115-D118 PolarHBondContact OG-OD2 2.85Å; F116-D118 VanDerWaalsContact C-N 3.3Å; F116-D118 PolarHBondContact O-N 3.39Å; D118-V120 VanDerWaalsContact C-N 3.33Å; D118-V120 PolarHBondContact O-N 2.72Å; D118-R121 WeakPolarHBondContact O-CB 3.47Å; D118-R121 PolarHBondContact O-N 2.8Å; D118-R121 VanDerWaalsContact O-N 3.16Å; D118-R121 IonicContact OD1-CZ 3.86Å; D118-R121 IonicContact OD1-NH1 2.83Å; D118-R121 PolarHBondContact OD1-NH1 2.94Å; D118-R121 IonicContact OD1-NH2 3.78Å; D118-V122 PolarHBondContact O-N 3.3Å
119	L	96.9	Very high	97	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-43	170.9	-72.3	-170.9	0	0	0	112.1	T114 S115 F116 R121 V122 I123 V129 V131 Y196	T114-L119 HydrophobicContact CG2-CD2 3.72Å; T114-L119 HydrophobicContact CG2-CG 3.9Å; S115-L119 PolarHBondContact O-N 3.4Å; F116-L119 WeakPolarHBondContact O-CB 3.47Å; F116-L119 PolarHBondContact O-N 2.85Å; F116-L119 VanDerWaalsContact O-N 3.14Å; L119-R121 PolarHBondContact O-N 3.42Å; L119-V122 WeakPolarHBondContact O-CB 3.23Å; L119-V122 PolarHBondContact O-N 3.33Å; L119-I123 WeakPolarHBondContact O-CD1 3.48Å; L119-I123 WeakPolarHBondContact O-CG1 3.32Å; L119-I123 PolarHBondContact O-N 2.71Å; L119-V129 HydrophobicContact CD2-CG1 3.96Å; L119-V131 HydrophobicContact CD1-CG1 3.99Å; L119-Y196 HydrophobicContact CD1-CD1 4.42Å; L119-Y196 HydrophobicContact CD1-CD2 4.43Å; L119-Y196 HydrophobicContact CD1-CE1 3.71Å; L119-Y196 HydrophobicContact CD1-CE2 3.74Å; L119-Y196 WeakPolarHBondContact CD1-OH 3.28Å; L119-Y196 HydrophobicContact CG-CE1 4.49Å
120	V	97.3	Very high	97.1	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-57.3	-39.5	176.3	170.9	0	0	0	0	110.9	F116 D118 I123 Q124 V169	F116-V120 HydrophobicContact CD1-CG2 4.01Å; F116-V120 HydrophobicContact CE1-CG2 3.67Å; F116-V120 HydrophobicContact CZ-CG2 4.1Å; F116-V120 WeakPolarHBondContact O-CG2 3.27Å; F116-V120 PolarHBondContact O-N 2.81Å; D118-V120 VanDerWaalsContact C-N 3.33Å; D118-V120 PolarHBondContact O-N 2.72Å; V120-I123 PolarHBondContact O-N 3.19Å; V120-Q124 HydrophobicContact CG1-CG 4.29Å; V120-Q124 WeakPolarHBondContact O-CB 3.45Å; V120-Q124 WeakPolarHBondContact O-CG 3.22Å; V120-Q124 PolarHBondContact O-N 3.02Å; V120-V169 HydrophobicContact CG1-CG1 4.49Å; V120-V169 HydrophobicContact CG2-CB 4.37Å; V120-V169 HydrophobicContact CG2-CG1 3.99Å; V120-V169 HydrophobicContact CG2-CG2 4.25Å
121	R	96.9	Very high	97.1	Very high	146 Å²	146	44.6 Å²	44.6	55%	0.551	24%	0.241	S	C	*	.	H	α-helix	trans	-65.3	-39.4	176.4	-66.5	173.3	-164.7	145.3	16	112.1	D117 D118 L119 Q124 T125	D117-R121 WeakPolarHBondContact O-CG 3.39Å; D117-R121 PolarHBondContact O-N 3.47Å; D118-R121 WeakPolarHBondContact O-CB 3.47Å; D118-R121 PolarHBondContact O-N 2.8Å; D118-R121 VanDerWaalsContact O-N 3.16Å; D118-R121 IonicContact OD1-CZ 3.86Å; D118-R121 IonicContact OD1-NH1 2.83Å; D118-R121 PolarHBondContact OD1-NH1 2.94Å; D118-R121 IonicContact OD1-NH2 3.78Å; L119-R121 PolarHBondContact O-N 3.42Å; R121-Q124 PolarHBondContact O-N 2.87Å; R121-T125 WeakPolarHBondContact O-CG2 3.3Å; R121-T125 PolarHBondContact O-N 3.21Å
122	V	96.9	Very high	97.2	Very high	23 Å²	23	42.3 Å²	42.3	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-45.7	174.2	174.7	0	0	0	0	110.7	D118 L119 Q124 T125 T127 V129 Y205	D118-V122 PolarHBondContact O-N 3.3Å; L119-V122 WeakPolarHBondContact O-CB 3.23Å; L119-V122 PolarHBondContact O-N 3.33Å; V122-Q124 VanDerWaalsContact C-N 3.3Å; V122-Q124 PolarHBondContact O-N 3.48Å; V122-T125 PolarHBondContact O-N 2.87Å; V122-T125 PolarHBondContact O-OG1 3.16Å; V122-T127 HydrophobicContact CG1-CG2 3.7Å; V122-T127 WeakPolarHBondContact O-CB 3.29Å; V122-V129 HydrophobicContact CB-CG2 4.42Å; V122-V129 HydrophobicContact CG1-CG2 3.85Å; V122-Y205 HydrophobicContact CG1-CD1 4.15Å; V122-Y205 HydrophobicContact CG1-CD2 3.75Å; V122-Y205 HydrophobicContact CG1-CE1 4.25Å; V122-Y205 HydrophobicContact CG1-CE2 3.82Å; V122-Y205 HydrophobicContact CG1-CG 3.9Å; V122-Y205 HydrophobicContact CG2-CE1 4.19Å; V122-Y205 HydrophobicContact CG2-CE2 4.31Å
123	I	97.3	Very high	97.3	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-40.6	178.6	-64	153.4	0	0	0	111	L12 L119 V120 T125 G126 T127 V129 I166 V169	L12-I123 HydrophobicContact CD1-CG2 4.45Å; L119-I123 WeakPolarHBondContact O-CD1 3.48Å; L119-I123 WeakPolarHBondContact O-CG1 3.32Å; L119-I123 PolarHBondContact O-N 2.71Å; V120-I123 PolarHBondContact O-N 3.19Å; I123-T125 PolarHBondContact O-N 3.45Å; I123-G126 PolarHBondContact O-N 3.4Å; I123-T127 WeakPolarHBondContact CA-O 3.3Å; I123-V129 HydrophobicContact CD1-CG2 4.31Å; I123-V129 HydrophobicContact CG1-CB 4.37Å; I123-V129 HydrophobicContact CG1-CG2 3.68Å; I123-I166 HydrophobicContact CD1-CB 3.89Å; I123-I166 HydrophobicContact CD1-CD1 4.01Å; I123-I166 HydrophobicContact CD1-CG2 3.45Å; I123-I166 VanDerWaalsContact CD1-CG2 3.45Å; I123-I166 HydrophobicContact CG1-CB 4.49Å; I123-I166 HydrophobicContact CG1-CG2 4.22Å; I123-V169 HydrophobicContact CD1-CG2 3.93Å; I123-V169 HydrophobicContact CG2-CG2 4.45Å
124	Q	95.3	Very high	97.5	Very high	101 Å²	101	32.3 Å²	32.3	47%	0.472	18%	0.176	S	C	.	.	H	α-helix	trans	-64.4	-18.8	176.5	-74	173.5	-5.5	0	0	113.8	V120 R121 V122 G126	V120-Q124 HydrophobicContact CG1-CG 4.29Å; V120-Q124 WeakPolarHBondContact O-CB 3.45Å; V120-Q124 WeakPolarHBondContact O-CG 3.22Å; V120-Q124 PolarHBondContact O-N 3.02Å; R121-Q124 PolarHBondContact O-N 2.87Å; V122-Q124 VanDerWaalsContact C-N 3.3Å; V122-Q124 PolarHBondContact O-N 3.48Å; Q124-G126 VanDerWaalsContact C-N 3.27Å
125	T	95.3	Very high	97.5	Very high	112 Å²	112	33.2 Å²	33.2	69%	0.687	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	1.2	172.4	60.8	0	0	0	0	114	R121 V122 I123	R121-T125 WeakPolarHBondContact O-CG2 3.3Å; R121-T125 PolarHBondContact O-N 3.21Å; V122-T125 PolarHBondContact O-N 2.87Å; V122-T125 PolarHBondContact O-OG1 3.16Å; I123-T125 PolarHBondContact O-N 3.45Å
126	G	96.2	Very high	97.4	Very high	28 Å²	28	35.4 Å²	35.4	29%	0.289	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	14.5	-179.1	0	0	0	0	0	114.4	Y41 I123 Q124	Y41-G126 PolarHBondContact OH-O 3.43Å; I123-G126 PolarHBondContact O-N 3.4Å; Q124-G126 VanDerWaalsContact C-N 3.27Å
127	T	97.6	Very high	97.4	Very high	22 Å²	22	35.9 Å²	35.9	14%	0.135	19%	0.191	C	C	.	.			trans	-107.2	111.9	-174.3	-60	0	0	0	0	110.1	V122 I123 Y205	V122-T127 HydrophobicContact CG1-CG2 3.7Å; V122-T127 WeakPolarHBondContact O-CB 3.29Å; I123-T127 WeakPolarHBondContact CA-O 3.3Å; T127-Y205 HydrophobicContact CG2-CD2 3.79Å; T127-Y205 HydrophobicContact CG2-CG 4.18Å
128	P	98.4	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.			trans	-70.1	149.1	174.7	28.6	-31.1	0	0	0	110.1	L12 V14 L38 Y41 I165 I166	L12-P128 HydrophobicContact CD1-CB 3.9Å; L12-P128 HydrophobicContact CD1-CG 4.41Å; V14-P128 HydrophobicContact CG2-CB 3.61Å; V14-P128 HydrophobicContact CG2-CG 3.88Å; L38-P128 HydrophobicContact CD1-CB 4.29Å; L38-P128 HydrophobicContact CD1-CG 3.74Å; L38-P128 WeakPolarHBondContact CD1-O 3.4Å; Y41-P128 HydrophobicContact CD1-CG 3.46Å; Y41-P128 VanDerWaalsContact CD1-CG 3.46Å; Y41-P128 HydrophobicContact CD2-CG 4.44Å; Y41-P128 HydrophobicContact CE1-CG 3.72Å; Y41-P128 HydrophobicContact CG-CG 3.84Å; P128-I165 HydrophobicContact CB-CG2 3.71Å; P128-I166 WeakPolarHBondContact CA-O 3.3Å
129	V	98.7	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.1	-174.7	-175.8	0	0	0	0	110.2	L119 V122 I123 V131 I165 I166 Y205	L119-V129 HydrophobicContact CD2-CG1 3.96Å; V122-V129 HydrophobicContact CB-CG2 4.42Å; V122-V129 HydrophobicContact CG1-CG2 3.85Å; I123-V129 HydrophobicContact CD1-CG2 4.31Å; I123-V129 HydrophobicContact CG1-CB 4.37Å; I123-V129 HydrophobicContact CG1-CG2 3.68Å; V129-V131 HydrophobicContact CG1-CG1 3.95Å; V129-I165 CarbonylContact O-C 3.43Å; V129-I165 WeakPolarHBondContact O-CA 3.36Å; V129-I166 PolarHBondContact N-O 2.71Å; V129-I166 PolarHBondContact O-N 3.27Å; V129-Y205 HydrophobicContact CG1-CD1 4.38Å; V129-Y205 HydrophobicContact CG2-CD1 4.41Å; V129-Y205 HydrophobicContact CG2-CG 4.41Å
130	W	98.8	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.5	166.3	-180	104.5	0	0	0	109.6	E31 L38 V91 I94 I132 A163 V164 I165 S203 L204	E31-W130 HydrophobicContact CB-CZ2 3.85Å; E31-W130 HydrophobicContact CG-CZ2 3.98Å; E31-W130 PolarHBondContact O-NE1 3.26Å; L38-W130 HydrophobicContact CD2-CB 4.2Å; V91-W130 HydrophobicContact CB-CH2 4.37Å; V91-W130 HydrophobicContact CB-CZ3 3.88Å; V91-W130 HydrophobicContact CG2-CE3 4.21Å; V91-W130 HydrophobicContact CG2-CZ3 3.74Å; I94-W130 HydrophobicContact CG1-CZ2 4.15Å; I94-W130 HydrophobicContact CG2-CZ2 4.22Å; W130-I132 HydrophobicContact CH2-CD1 3.33Å; W130-I132 HydrophobicContact CH2-CG1 3.54Å; W130-I132 HydrophobicContact CZ2-CD1 3.74Å; W130-I132 HydrophobicContact CZ2-CG1 4.39Å; W130-I132 HydrophobicContact CZ3-CD1 4.21Å; W130-I132 HydrophobicContact CZ3-CG1 3.95Å; W130-A163 HydrophobicContact CZ2-CB 3.85Å; W130-V164 WeakPolarHBondContact CA-O 3.45Å; W130-I165 VanDerWaalsContact CA-CD1 3.43Å; W130-I165 HydrophobicContact CB-CD1 3.46Å; W130-I165 VanDerWaalsContact CB-CD1 3.46Å; W130-I165 HydrophobicContact CG-CD1 3.96Å; W130-S203 CarbonylContact O-C 3.58Å; W130-S203 VanDerWaalsContact O-CA 3.26Å; W130-S203 WeakPolarHBondContact O-CA 3.36Å; W130-L204 HydrophobicContact CB-CB 4.19Å; W130-L204 WeakPolarHBondContact CB-O 3.25Å; W130-L204 HydrophobicContact CD2-CB 4.45Å; W130-L204 HydrophobicContact CE3-CB 3.97Å; W130-L204 PolarHBondContact N-O 3.08Å; W130-L204 PolarHBondContact O-N 2.93Å
131	V	98.8	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.8	174.8	-61.8	0	0	0	0	111.8	L119 V129 A163 V164 I166 F192 Y196 E202	L119-V131 HydrophobicContact CD1-CG1 3.99Å; V129-V131 HydrophobicContact CG1-CG1 3.95Å; V131-A163 VanDerWaalsContact O-CA 3.29Å; V131-A163 WeakPolarHBondContact O-CA 3.43Å; V131-V164 HydrophobicContact CG2-CG2 3.82Å; V131-V164 PolarHBondContact N-O 2.83Å; V131-V164 PolarHBondContact O-N 3.34Å; V131-V164 VanDerWaalsContact O-N 3.1Å; V131-I166 HydrophobicContact CG1-CD1 3.88Å; V131-I166 HydrophobicContact CG1-CG1 4.5Å; V131-I166 HydrophobicContact CG2-CD1 4.02Å; V131-I166 HydrophobicContact CG2-CG1 4.06Å; V131-F192 HydrophobicContact CG2-CE1 4.15Å; V131-F192 HydrophobicContact CG2-CZ 3.71Å; V131-Y196 HydrophobicContact CB-CD2 4.23Å; V131-Y196 HydrophobicContact CB-CE2 4.35Å; V131-Y196 HydrophobicContact CG1-CD2 4.22Å; V131-Y196 HydrophobicContact CG1-CE2 4.02Å; V131-E202 VanDerWaalsContact CA-O 3.29Å; V131-E202 WeakPolarHBondContact CA-O 3.39Å
132	I	98.6	Very high	97.4	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.8	160.3	-61.9	-63.7	0	0	0	109.3	E31 W130 H162 A163 M199 E202	E31-I132 HydrophobicContact CG-CD1 3.95Å; W130-I132 HydrophobicContact CH2-CD1 3.33Å; W130-I132 HydrophobicContact CH2-CG1 3.54Å; W130-I132 HydrophobicContact CZ2-CD1 3.74Å; W130-I132 HydrophobicContact CZ2-CG1 4.39Å; W130-I132 HydrophobicContact CZ3-CD1 4.21Å; W130-I132 HydrophobicContact CZ3-CG1 3.95Å; I132-H162 CarbonylContact C-O 3.59Å; I132-H162 WeakPolarHBondContact CA-O 3.31Å; I132-A163 HydrophobicContact CD1-CB 4.18Å; I132-M199 HydrophobicContact CG2-CB 3.9Å; I132-M199 HydrophobicContact CG2-CE 3.86Å; I132-E202 HydrophobicContact CB-CB 4.05Å; I132-E202 HydrophobicContact CG1-CB 3.73Å; I132-E202 HydrophobicContact CG1-CG 4.46Å; I132-E202 PolarHBondContact N-O 3.2Å; I132-E202 VanDerWaalsContact N-O 3.17Å
133	T	98.4	Very high	97.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	-159.4	176.4	-168.8	0	0	0	0	108.9	F137 H162 V164 I195	T133-F137 HydrophobicContact CG2-CD1 4.29Å; T133-F137 HydrophobicContact CG2-CE1 3.95Å; T133-H162 CarbonylContact C-O 3.57Å; T133-H162 HydrophobicContact CG2-CB 4.11Å; T133-H162 PolarHBondContact N-O 3.1Å; T133-H162 PolarHBondContact O-N 2.79Å; T133-H162 VanDerWaalsContact O-O 3.1Å; T133-V164 HydrophobicContact CG2-CB 4.46Å; T133-V164 HydrophobicContact CG2-CG1 3.87Å; T133-V164 HydrophobicContact CG2-CG2 3.87Å; T133-I195 WeakPolarHBondContact OG1-CG2 3.24Å
134	T	98.3	Very high	97.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.3	175.6	52.3	0	0	0	0	112.3	D136 F137 Q138 P140 L160 H162 I195 M199	T134-D136 PolarHBondContact O-N 2.93Å; T134-F137 PolarHBondContact O-N 3.17Å; T134-F137 WeakPolarHBondContact OG1-CA 3.24Å; T134-Q138 WeakPolarHBondContact CB-O 3.34Å; T134-Q138 WeakPolarHBondContact CG2-O 3.26Å; T134-Q138 PolarHBondContact OG1-N 2.89Å; T134-Q138 PolarHBondContact OG1-O 2.86Å; T134-P140 HydrophobicContact CG2-CB 4.39Å; T134-P140 HydrophobicContact CG2-CG 4.11Å; T134-L160 CarbonylContact C-O 3.52Å; T134-L160 WeakPolarHBondContact CA-O 3.41Å; T134-L160 HydrophobicContact CG2-CB 3.82Å; T134-L160 HydrophobicContact CG2-CD1 4.45Å; T134-H162 VanDerWaalsContact C-CB 3.48Å; T134-I195 HydrophobicContact CG2-CG2 3.9Å; T134-M199 HydrophobicContact CG2-CG 3.94Å; T134-M199 HydrophobicContact CG2-SD 3.84Å
135	V	96.9	Very high	97.6	Very high	38 Å²	38	45.7 Å²	45.7	23%	0.23	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-50	131.9	168.8	174.7	0	0	0	0	109.5	F137 Q138 L160 H162 Y180	V135-F137 PolarHBondContact O-N 2.83Å; V135-Q138 PolarHBondContact O-N 2.91Å; V135-L160 PolarHBondContact N-O 2.79Å; V135-H162 HydrophobicContact CG2-CB 4.11Å; V135-Y180 HydrophobicContact CG1-CE2 4.31Å
136	D	96.5	Very high	97.6	Very high	98 Å²	98	47 Å²	47	52%	0.524	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	54.1	15.8	-177.5	-75.3	-41.2	0	0	0	116	T134 Q138 R185	T134-D136 PolarHBondContact O-N 2.93Å; D136-Q138 PolarHBondContact O-N 2.93Å; D136-R185 IonicContact OD1-CZ 3.82Å; D136-R185 IonicContact OD1-NH1 3.41Å; D136-R185 PolarHBondContact OD1-NH1 3.38Å; D136-R185 IonicContact OD1-NH2 2.67Å; D136-R185 PolarHBondContact OD1-NH2 2.96Å
137	F	97.9	Very high	97.7	Very high	17 Å²	17	49.7 Å²	49.7	8%	0.075	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	56.3	37.5	-176.2	-45.5	-78.8	0	0	0	112.3	T133 T134 V135 V139 V164 V176 R185 V187 F192 I195	T133-F137 HydrophobicContact CG2-CD1 4.29Å; T133-F137 HydrophobicContact CG2-CE1 3.95Å; T134-F137 PolarHBondContact O-N 3.17Å; T134-F137 WeakPolarHBondContact OG1-CA 3.24Å; V135-F137 PolarHBondContact O-N 2.83Å; F137-V139 PolarHBondContact O-N 2.95Å; F137-V164 HydrophobicContact CE1-CG1 4.03Å; F137-V164 HydrophobicContact CE1-CG2 4.37Å; F137-V164 HydrophobicContact CZ-CG1 3.99Å; F137-V176 HydrophobicContact CE1-CG2 4.03Å; F137-V176 HydrophobicContact CE2-CG2 4.39Å; F137-V176 HydrophobicContact CZ-CG2 3.52Å; F137-R185 HydrophobicContact CE2-CG 4.16Å; F137-V187 HydrophobicContact CB-CG1 3.58Å; F137-V187 HydrophobicContact CB-CG2 4.47Å; F137-V187 HydrophobicContact CD1-CB 4.49Å; F137-V187 HydrophobicContact CD1-CG1 3.98Å; F137-V187 HydrophobicContact CD1-CG2 3.8Å; F137-V187 HydrophobicContact CD2-CB 4.49Å; F137-V187 HydrophobicContact CD2-CG1 4.16Å; F137-V187 HydrophobicContact CD2-CG2 3.49Å; F137-V187 VanDerWaalsContact CD2-CG2 3.49Å; F137-V187 HydrophobicContact CE1-CG2 3.87Å; F137-V187 HydrophobicContact CE2-CG2 3.58Å; F137-V187 HydrophobicContact CG-CB 4.28Å; F137-V187 HydrophobicContact CG-CG1 3.61Å; F137-V187 HydrophobicContact CG-CG2 3.61Å; F137-V187 HydrophobicContact CZ-CG2 3.77Å; F137-F192 AromaticContact CD1-CD2 3.99Å; F137-F192 HydrophobicContact CD1-CD2 3.99Å; F137-F192 HydrophobicContact CD1-CE2 4.02Å; F137-F192 HydrophobicContact CE1-CD2 4.27Å; F137-F192 AromaticContact CE1-CE2 3.88Å; F137-F192 HydrophobicContact CE1-CE2 3.88Å; F137-I195 HydrophobicContact CB-CD1 4.02Å; F137-I195 VanDerWaalsContact O-CD1 3.29Å; F137-I195 WeakPolarHBondContact O-CD1 3.47Å
138	Q	97.9	Very high	97.7	Very high	94 Å²	94	49.7 Å²	49.7	44%	0.439	25%	0.251	S	S	.	.			trans	-72.2	116.2	170.1	178.7	-174.8	-35.6	0	0	110.2	T134 V135 D136 P140 L160	T134-Q138 WeakPolarHBondContact CB-O 3.34Å; T134-Q138 WeakPolarHBondContact CG2-O 3.26Å; T134-Q138 PolarHBondContact OG1-N 2.89Å; T134-Q138 PolarHBondContact OG1-O 2.86Å; V135-Q138 PolarHBondContact O-N 2.91Å; D136-Q138 PolarHBondContact O-N 2.93Å; Q138-P140 VanDerWaalsContact O-CD 3.3Å; Q138-P140 WeakPolarHBondContact O-CD 3.38Å; Q138-P140 VanDerWaalsContact O-N 3.09Å; Q138-L160 HydrophobicContact CG-CD1 4.47Å
139	V	98.3	Very high	97.6	Very high	39 Å²	39	53.6 Å²	53.6	24%	0.236	27%	0.269	C	S	.	.			trans	-56.5	115.8	170.2	-174.7	0	0	0	0	109.7	F137 D191 E194 I195 L198	F137-V139 PolarHBondContact O-N 2.95Å; V139-D191 HydrophobicContact CG2-CB 3.77Å; V139-E194 HydrophobicContact CG1-CB 4.48Å; V139-E194 HydrophobicContact CG1-CG 3.83Å; V139-I195 HydrophobicContact CB-CG1 4.34Å; V139-I195 HydrophobicContact CG2-CD1 4.13Å; V139-I195 HydrophobicContact CG2-CG1 4.04Å; V139-L198 HydrophobicContact CG1-CD1 4.26Å
140	P	97.5	Very high	97.6	Very high	6 Å²	6	54 Å²	54	4%	0.039	27%	0.272	C	S	.	.			trans	-74.3	146.8	-175.2	30	-33.6	0	0	0	110.8	T134 Q138 D144 F145 L160 L198 M199	T134-P140 HydrophobicContact CG2-CB 4.39Å; T134-P140 HydrophobicContact CG2-CG 4.11Å; Q138-P140 VanDerWaalsContact O-CD 3.3Å; Q138-P140 WeakPolarHBondContact O-CD 3.38Å; Q138-P140 VanDerWaalsContact O-N 3.09Å; P140-D144 HydrophobicContact CB-CB 4.19Å; P140-F145 HydrophobicContact CB-CE2 3.72Å; P140-F145 HydrophobicContact CB-CZ 3.95Å; P140-F145 HydrophobicContact CG-CE2 3.91Å; P140-F145 HydrophobicContact CG-CZ 3.81Å; P140-L160 HydrophobicContact CB-CD1 4.09Å; P140-L198 HydrophobicContact CG-CB 3.91Å; P140-L198 HydrophobicContact CG-CD1 3.88Å; P140-M199 HydrophobicContact CG-SD 4.37Å
141	T	97.4	Very high	97.5	Very high	81 Å²	81	58.7 Å²	58.7	50%	0.497	30%	0.301	S	S	.	.			trans	-103.6	169.1	172.5	65.4	0	0	0	0	110.7	D143 D144 F145	T141-D143 PolarHBondContact O-N 3.21Å; T141-D143 VanDerWaalsContact O-N 3.1Å; T141-D144 PolarHBondContact N-OD2 2.93Å; T141-D144 WeakPolarHBondContact O-CB 3.42Å; T141-D144 PolarHBondContact O-N 3.02Å; T141-D144 PolarHBondContact OG1-OD2 3.29Å; T141-F145 VanDerWaalsContact O-CD2 3.31Å; T141-F145 WeakPolarHBondContact O-CD2 3.46Å
142	E	95.5	Very high	97.3	Very high	184 Å²	184	62.5 Å²	62.5	86%	0.86	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-53.5	-32.5	177	-66	-177.3	170.4	0	0	112.9	D144 F145	E142-D144 VanDerWaalsContact C-N 3.26Å; E142-D144 PolarHBondContact O-N 2.99Å; E142-F145 PolarHBondContact O-N 2.7Å
143	D	97	Very high	97.2	Very high	159 Å²	159	63.8 Å²	63.8	85%	0.85	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-73.9	-14.2	179.4	-73.9	-29.4	0	0	0	113.5	T141	T141-D143 PolarHBondContact O-N 3.21Å; T141-D143 VanDerWaalsContact O-N 3.1Å
144	D	97.4	Very high	97.1	Very high	35 Å²	35	70.2 Å²	70.2	19%	0.187	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-83.8	-15.6	176.4	-62.6	-63.3	0	0	0	112	P140 T141 E142 S158 P159 L160	P140-D144 HydrophobicContact CB-CB 4.19Å; T141-D144 PolarHBondContact N-OD2 2.93Å; T141-D144 WeakPolarHBondContact O-CB 3.42Å; T141-D144 PolarHBondContact O-N 3.02Å; T141-D144 PolarHBondContact OG1-OD2 3.29Å; E142-D144 VanDerWaalsContact C-N 3.26Å; E142-D144 PolarHBondContact O-N 2.99Å; D144-S158 PolarHBondContact O-OG 2.96Å; D144-P159 WeakPolarHBondContact O-CD 3.44Å; D144-L160 HydrophobicContact CB-CD1 3.89Å
145	F	97.8	Very high	97	Very high	43 Å²	43	71.4 Å²	71.4	19%	0.189	38%	0.378	C	S	.	.			trans	-92.4	148.4	179.1	-68.5	-83.4	0	0	0	112.8	P140 T141 E142 V157 L198 M199	P140-F145 HydrophobicContact CB-CE2 3.72Å; P140-F145 HydrophobicContact CB-CZ 3.95Å; P140-F145 HydrophobicContact CG-CE2 3.91Å; P140-F145 HydrophobicContact CG-CZ 3.81Å; T141-F145 VanDerWaalsContact O-CD2 3.31Å; T141-F145 WeakPolarHBondContact O-CD2 3.46Å; E142-F145 PolarHBondContact O-N 2.7Å; F145-V157 CarbonylContact C-O 3.54Å; F145-L198 HydrophobicContact CZ-CB 4.19Å; F145-L198 WeakPolarHBondContact CZ-O 3.45Å; F145-M199 HydrophobicContact CE1-SD 4.06Å; F145-M199 HydrophobicContact CZ-SD 4.12Å
146	R	96.1	Very high	97	Very high	140 Å²	140	76.4 Å²	76.4	53%	0.528	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129	176.9	-60.2	178.1	-175.7	168	4.1	109.3	W148 E156 V157	R146-W148 PolarHBondContact O-N 3.46Å; R146-E156 WeakPolarHBondContact O-CA 3.42Å; R146-V157 HydrophobicContact CB-CG2 4.26Å; R146-V157 PolarHBondContact N-O 3.02Å; R146-V157 PolarHBondContact O-N 3.43Å
147	T	97.2	Very high	97	Very high	84 Å²	84	72.3 Å²	72.3	52%	0.515	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.4	169.7	-46	0	0	0	0	110	E154 I155	T147-E154 HydrophobicContact CG2-CB 4.2Å; T147-E154 HydrophobicContact CG2-CG 4.32Å; T147-I155 CarbonylContact C-O 3.55Å; T147-I155 WeakPolarHBondContact CA-O 2.92Å
148	W	97.4	Very high	96.9	Very high	22 Å²	22	71.6 Å²	71.6	8%	0.083	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.8	172.4	-78.1	10.3	0	0	0	110.7	L60 H69 V77 M87 R146 E154 I155 V157	L60-W148 HydrophobicContact CD1-CH2 3.58Å; L60-W148 HydrophobicContact CD1-CZ2 4.19Å; L60-W148 HydrophobicContact CD1-CZ3 4.34Å; H69-W148 HydrophobicContact CB-CB 4.28Å; H69-W148 HydrophobicContact CB-CD2 3.8Å; H69-W148 HydrophobicContact CB-CE3 3.46Å; H69-W148 VanDerWaalsContact CB-CE3 3.46Å; H69-W148 HydrophobicContact CB-CG 4.19Å; H69-W148 HydrophobicContact CB-CZ3 4.03Å; H69-W148 AromaticContact CD2-CD2 3.59Å; H69-W148 AromaticContact CD2-CE2 3.58Å; H69-W148 AromaticContact CD2-CE3 3.97Å; H69-W148 AromaticContact CD2-CZ2 3.92Å; H69-W148 AromaticContact CD2-NE1 3.98Å; H69-W148 AromaticContact CG-CD2 3.59Å; H69-W148 AromaticContact CG-CE3 3.8Å; H69-W148 AromaticContact CG-CG 3.77Å; H69-W148 AromaticContact ND1-CG 3.85Å; H69-W148 AromaticContact NE2-CE2 3.97Å; H69-W148 AromaticContact NE2-NE1 3.89Å; V77-W148 HydrophobicContact CG1-CH2 4.41Å; V77-W148 HydrophobicContact CG1-CZ3 3.99Å; M87-W148 HydrophobicContact CB-CH2 3.62Å; M87-W148 HydrophobicContact CB-CZ3 3.8Å; M87-W148 HydrophobicContact CG-CE3 4.49Å; M87-W148 HydrophobicContact CG-CH2 3.55Å; M87-W148 HydrophobicContact CG-CZ2 4.3Å; M87-W148 HydrophobicContact CG-CZ3 3.64Å; M87-W148 HydrophobicContact SD-CH2 3.55Å; M87-W148 VanDerWaalsContact SD-CH2 3.55Å; M87-W148 HydrophobicContact SD-CZ2 3.71Å; M87-W148 HydrophobicContact SD-CZ3 4.15Å; R146-W148 PolarHBondContact O-N 3.46Å; W148-E154 WeakPolarHBondContact O-CA 3.38Å; W148-I155 HydrophobicContact CB-CD1 4.43Å; W148-I155 HydrophobicContact CB-CG1 3.89Å; W148-I155 PolarHBondContact N-O 2.99Å; W148-I155 PolarHBondContact O-N 2.96Å; W148-V157 HydrophobicContact CD2-CG1 4.4Å; W148-V157 HydrophobicContact CD2-CG2 3.54Å; W148-V157 HydrophobicContact CE3-CG1 4.2Å; W148-V157 HydrophobicContact CE3-CG2 4.04Å; W148-V157 HydrophobicContact CG-CG2 3.8Å; W148-V157 HydrophobicContact CH2-CG2 4.48Å; W148-V157 HydrophobicContact CZ2-CG2 4.02Å; W148-V157 HydrophobicContact CZ3-CG2 4.47Å
149	Q	98.1	Very high	96.8	Very high	81 Å²	81	70.4 Å²	70.4	38%	0.379	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.2	165.7	-60.1	-68.1	-33.5	0	0	107.9	I68 H69 E154	I68-Q149 CarbonylContact C-O 3.58Å; I68-Q149 WeakPolarHBondContact CA-O 3.36Å; I68-Q149 HydrophobicContact CD1-CB 3.88Å; H69-Q149 PolarHBondContact N-O 2.9Å; Q149-E154 VanDerWaalsContact NE2-CG 3.27Å; Q149-E154 PolarHBondContact NE2-OE1 2.87Å
150	T	97.8	Very high	96.7	Very high	9 Å²	9	69.8 Å²	69.8	6%	0.055	37%	0.37	C	S	.	.			trans	-117.9	173.1	172.5	76.2	0	0	0	0	109.6	N71 S152 G153 I155	N71-T150 HydrophobicContact CB-CG2 3.83Å; T150-S152 PolarHBondContact O-N 3.04Å; T150-S152 PolarHBondContact OG1-N 3.07Å; T150-S152 PolarHBondContact OG1-OG 3.08Å; T150-S152 VanDerWaalsContact OG1-OG 3.12Å; T150-G153 PolarHBondContact N-O 3.16Å; T150-G153 PolarHBondContact O-N 3.49Å; T150-G153 PolarHBondContact OG1-N 3.03Å; T150-G153 VanDerWaalsContact OG1-N 3.09Å; T150-G153 PolarHBondContact OG1-O 3.18Å; T150-I155 HydrophobicContact CG2-CD1 3.64Å; T150-I155 HydrophobicContact CG2-CG1 3.84Å
151	T	96.1	Very high	96.7	Very high	99 Å²	99	70.9 Å²	70.9	61%	0.607	38%	0.377	S	S	*	.	S	Bend	trans	-65.9	-24	173.7	41.1	0	0	0	0	113	E62 I68	E62-T151 WeakPolarHBondContact OE2-CG2 3.49Å; E62-T151 PolarHBondContact OE2-OG1 2.95Å; I68-T151 HydrophobicContact CG2-CG2 3.96Å
152	S	94.6	Very high	96.7	Very high	79 Å²	79	67 Å²	67	55%	0.552	35%	0.353	S	S	*	.	S	Bend	trans	-93.8	-16	178.7	40.1	0	0	0	0	114.1	N71 T150	N71-S152 PolarHBondContact ND2-OG 3.01Å; T150-S152 PolarHBondContact O-N 3.04Å; T150-S152 PolarHBondContact OG1-N 3.07Å; T150-S152 PolarHBondContact OG1-OG 3.08Å; T150-S152 VanDerWaalsContact OG1-OG 3.12Å
153	G	96.1	Very high	96.8	Very high	31 Å²	31	58.2 Å²	58.2	32%	0.32	31%	0.312	S	S	.	.			trans	152.6	-165.4	173.8	0	0	0	0	0	114.1	T150	T150-G153 PolarHBondContact N-O 3.16Å; T150-G153 PolarHBondContact O-N 3.49Å; T150-G153 PolarHBondContact OG1-N 3.03Å; T150-G153 VanDerWaalsContact OG1-N 3.09Å; T150-G153 PolarHBondContact OG1-O 3.18Å
154	E	97.1	Very high	96.9	Very high	136 Å²	136	50.7 Å²	50.7	64%	0.636	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	135.4	168.7	-73.3	179.8	160.3	0	0	109.7	T147 W148 Q149	T147-E154 HydrophobicContact CG2-CB 4.2Å; T147-E154 HydrophobicContact CG2-CG 4.32Å; W148-E154 WeakPolarHBondContact O-CA 3.38Å; Q149-E154 VanDerWaalsContact NE2-CG 3.27Å; Q149-E154 PolarHBondContact NE2-OE1 2.87Å
155	I	96.8	Very high	97	Very high	25 Å²	25	49 Å²	49	13%	0.128	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.1	172.5	65.1	172.8	0	0	0	109.6	P72 T147 W148 T150 V157	P72-I155 HydrophobicContact CG-CD1 4.01Å; T147-I155 CarbonylContact C-O 3.55Å; T147-I155 WeakPolarHBondContact CA-O 2.92Å; W148-I155 HydrophobicContact CB-CD1 4.43Å; W148-I155 HydrophobicContact CB-CG1 3.89Å; W148-I155 PolarHBondContact N-O 2.99Å; W148-I155 PolarHBondContact O-N 2.96Å; T150-I155 HydrophobicContact CG2-CD1 3.64Å; T150-I155 HydrophobicContact CG2-CG1 3.84Å; I155-V157 HydrophobicContact CD1-CG1 3.79Å; I155-V157 HydrophobicContact CG1-CG1 4.16Å
156	E	96.5	Very high	97	Very high	142 Å²	142	47 Å²	47	66%	0.664	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.6	169.8	-64.3	-168.8	100.2	0	0	109.6	R146	R146-E156 WeakPolarHBondContact O-CA 3.42Å
157	V	96.7	Very high	97.1	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.1	177.9	-59.9	0	0	0	0	110	P72 M87 F145 R146 W148 I155	P72-V157 HydrophobicContact CG-CG1 4.29Å; M87-V157 HydrophobicContact CE-CB 4.34Å; M87-V157 HydrophobicContact CG-CB 3.94Å; M87-V157 HydrophobicContact CG-CG1 4.07Å; M87-V157 HydrophobicContact CG-CG2 4.22Å; M87-V157 HydrophobicContact SD-CB 3.68Å; M87-V157 HydrophobicContact SD-CG1 4.42Å; M87-V157 HydrophobicContact SD-CG2 3.54Å; M87-V157 VanDerWaalsContact SD-CG2 3.54Å; F145-V157 CarbonylContact C-O 3.54Å; R146-V157 HydrophobicContact CB-CG2 4.26Å; R146-V157 PolarHBondContact N-O 3.02Å; R146-V157 PolarHBondContact O-N 3.43Å; W148-V157 HydrophobicContact CD2-CG1 4.4Å; W148-V157 HydrophobicContact CD2-CG2 3.54Å; W148-V157 HydrophobicContact CE3-CG1 4.2Å; W148-V157 HydrophobicContact CE3-CG2 4.04Å; W148-V157 HydrophobicContact CG-CG2 3.8Å; W148-V157 HydrophobicContact CH2-CG2 4.48Å; W148-V157 HydrophobicContact CZ2-CG2 4.02Å; W148-V157 HydrophobicContact CZ3-CG2 4.47Å; I155-V157 HydrophobicContact CD1-CG1 3.79Å; I155-V157 HydrophobicContact CG1-CG1 4.16Å
158	S	96.6	Very high	97.2	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.021	21%	0.208	C	C	.	.			trans	-130.3	131.4	177.8	174.3	0	0	0	0	110.6	M87 D144 L160 C161	M87-S158 WeakPolarHBondContact CE-O 3.38Å; D144-S158 PolarHBondContact O-OG 2.96Å; S158-L160 PolarHBondContact O-N 3.42Å; S158-L160 WeakPolarHBondContact OG-CB 3.25Å; S158-L160 PolarHBondContact OG-N 3.4Å; S158-C161 WeakPolarHBondContact O-CB 3.45Å; S158-C161 PolarHBondContact O-N 2.88Å
159	P	94.1	Very high	97.2	Very high	69 Å²	69	36.2 Å²	36.2	45%	0.448	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-5.8	174.9	33.1	-36.1	0	0	0	112.8	D144	D144-P159 WeakPolarHBondContact O-CD 3.44Å
160	L	96.6	Very high	97.1	Very high	25 Å²	25	35 Å²	35	13%	0.131	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.1	170.2	-57.7	177.9	0	0	0	112.3	T134 V135 Q138 P140 D144 S158 H162	T134-L160 CarbonylContact C-O 3.52Å; T134-L160 WeakPolarHBondContact CA-O 3.41Å; T134-L160 HydrophobicContact CG2-CB 3.82Å; T134-L160 HydrophobicContact CG2-CD1 4.45Å; V135-L160 PolarHBondContact N-O 2.79Å; Q138-L160 HydrophobicContact CG-CD1 4.47Å; P140-L160 HydrophobicContact CB-CD1 4.09Å; D144-L160 HydrophobicContact CB-CD1 3.89Å; S158-L160 PolarHBondContact O-N 3.42Å; S158-L160 WeakPolarHBondContact OG-CB 3.25Å; S158-L160 PolarHBondContact OG-N 3.4Å; L160-H162 PolarHBondContact O-N 3.41Å
161	C	97	Very high	96.9	Very high	29 Å²	29	41.9 Å²	41.9	20%	0.196	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.7	128.4	-178.1	-169.3	0	0	0	0	112.3	M87 S158 M199	M87-C161 HydrophobicContact CE-CB 4.25Å; S158-C161 WeakPolarHBondContact O-CB 3.45Å; S158-C161 PolarHBondContact O-N 2.88Å; C161-M199 HydrophobicContact CB-CE 4.22Å
162	H	98	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	165.7	176.1	-167.1	47.4	0	0	0	109.6	C30 I132 T133 T134 V135 L160 D178 Y180	C30-H162 VanDerWaalsContact CB-CE1 3.48Å; C30-H162 WeakPolarHBondContact CB-CE1 3.31Å; C30-H162 WeakPolarHBondContact CB-ND1 3.42Å; I132-H162 CarbonylContact C-O 3.59Å; I132-H162 WeakPolarHBondContact CA-O 3.31Å; T133-H162 CarbonylContact C-O 3.57Å; T133-H162 HydrophobicContact CG2-CB 4.11Å; T133-H162 PolarHBondContact N-O 3.1Å; T133-H162 PolarHBondContact O-N 2.79Å; T133-H162 VanDerWaalsContact O-O 3.1Å; T134-H162 VanDerWaalsContact C-CB 3.48Å; V135-H162 HydrophobicContact CG2-CB 4.11Å; L160-H162 PolarHBondContact O-N 3.41Å; H162-D178 IonicContact CD2-OD1 3.3Å; H162-D178 IonicContact CE1-OD1 3.96Å; H162-D178 IonicContact NE2-OD1 2.65Å; H162-D178 PolarHBondContact NE2-OD1 2.95Å; H162-Y180 AromaticContact CE1-CE1 3.86Å
163	A	98.6	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.9	174.8	0	0	0	0	0	111.8	E31 A34 W130 V131 I132 P179	E31-A163 HydrophobicContact CB-CB 4.26Å; E31-A163 HydrophobicContact CG-CB 3.91Å; A34-A163 HydrophobicContact CB-CB 4.25Å; W130-A163 HydrophobicContact CZ2-CB 3.85Å; V131-A163 VanDerWaalsContact O-CA 3.29Å; V131-A163 WeakPolarHBondContact O-CA 3.43Å; I132-A163 HydrophobicContact CD1-CB 4.18Å; A163-P179 WeakPolarHBondContact O-CD 3.28Å; A163-P179 VanDerWaalsContact O-CG 3.23Å; A163-P179 WeakPolarHBondContact O-CG 3.4Å
164	V	98.9	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	165.1	-177.1	-61.6	0	0	0	0	111.3	W130 V131 T133 F137 V176 N177 D178 F192	W130-V164 WeakPolarHBondContact CA-O 3.45Å; V131-V164 HydrophobicContact CG2-CG2 3.82Å; V131-V164 PolarHBondContact N-O 2.83Å; V131-V164 PolarHBondContact O-N 3.34Å; V131-V164 VanDerWaalsContact O-N 3.1Å; T133-V164 HydrophobicContact CG2-CB 4.46Å; T133-V164 HydrophobicContact CG2-CG1 3.87Å; T133-V164 HydrophobicContact CG2-CG2 3.87Å; F137-V164 HydrophobicContact CE1-CG1 4.03Å; F137-V164 HydrophobicContact CE1-CG2 4.37Å; F137-V164 HydrophobicContact CZ-CG1 3.99Å; V164-V176 HydrophobicContact CB-CB 4.05Å; V164-V176 HydrophobicContact CB-CG1 4.49Å; V164-V176 HydrophobicContact CB-CG2 4.25Å; V164-V176 HydrophobicContact CG1-CG2 4.32Å; V164-V176 HydrophobicContact CG2-CB 4.03Å; V164-V176 HydrophobicContact CG2-CG1 3.92Å; V164-V176 HydrophobicContact CG2-CG2 4.38Å; V164-N177 WeakPolarHBondContact CB-O 3.38Å; V164-D178 HydrophobicContact CG1-CB 4.45Å; V164-F192 HydrophobicContact CG2-CE2 4.16Å; V164-F192 HydrophobicContact CG2-CZ 4.09Å
165	I	98.8	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.6	168.5	-59.8	-51.2	0	0	0	109.8	V14 A34 M37 L38 P128 V129 W130 T167 V176 N177	V14-I165 HydrophobicContact CG1-CG2 4.14Å; V14-I165 HydrophobicContact CG2-CG2 4.09Å; A34-I165 HydrophobicContact CB-CD1 4.06Å; A34-I165 HydrophobicContact CB-CG1 4.23Å; A34-I165 WeakPolarHBondContact O-CD1 3.37Å; A34-I165 VanDerWaalsContact O-CG1 3.32Å; A34-I165 WeakPolarHBondContact O-CG1 3.47Å; M37-I165 HydrophobicContact CB-CG1 3.99Å; M37-I165 HydrophobicContact CE-CG1 4.34Å; L38-I165 HydrophobicContact CB-CD1 3.88Å; L38-I165 HydrophobicContact CB-CG1 4.48Å; P128-I165 HydrophobicContact CB-CG2 3.71Å; V129-I165 CarbonylContact O-C 3.43Å; V129-I165 WeakPolarHBondContact O-CA 3.36Å; W130-I165 VanDerWaalsContact CA-CD1 3.43Å; W130-I165 HydrophobicContact CB-CD1 3.46Å; W130-I165 VanDerWaalsContact CB-CD1 3.46Å; W130-I165 HydrophobicContact CG-CD1 3.96Å; I165-T167 HydrophobicContact CG2-CG2 4.4Å; I165-T167 PolarHBondContact O-N 3.35Å; I165-V176 CarbonylContact O-C 3.38Å; I165-V176 WeakPolarHBondContact O-CA 3.2Å; I165-V176 WeakPolarHBondContact O-CB 3.29Å; I165-N177 HydrophobicContact CB-CB 4.41Å; I165-N177 PolarHBondContact N-O 2.9Å; I165-N177 PolarHBondContact O-N 3.18Å
166	I	98.7	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	120	171	-50.6	173.4	0	0	0	109.3	F116 I123 P128 V129 V131 V169 V174 V176 F192	F116-I166 HydrophobicContact CE2-CD1 4.36Å; I123-I166 HydrophobicContact CD1-CB 3.89Å; I123-I166 HydrophobicContact CD1-CD1 4.01Å; I123-I166 HydrophobicContact CD1-CG2 3.45Å; I123-I166 VanDerWaalsContact CD1-CG2 3.45Å; I123-I166 HydrophobicContact CG1-CB 4.49Å; I123-I166 HydrophobicContact CG1-CG2 4.22Å; P128-I166 WeakPolarHBondContact CA-O 3.3Å; V129-I166 PolarHBondContact N-O 2.71Å; V129-I166 PolarHBondContact O-N 3.27Å; V131-I166 HydrophobicContact CG1-CD1 3.88Å; V131-I166 HydrophobicContact CG1-CG1 4.5Å; V131-I166 HydrophobicContact CG2-CD1 4.02Å; V131-I166 HydrophobicContact CG2-CG1 4.06Å; I166-V169 HydrophobicContact CG2-CG2 3.91Å; I166-V174 HydrophobicContact CG1-CG1 4.28Å; I166-V174 HydrophobicContact CG2-CG1 3.68Å; I166-V176 HydrophobicContact CG1-CG1 4.21Å; I166-F192 HydrophobicContact CD1-CE1 3.7Å; I166-F192 HydrophobicContact CD1-CZ 3.95Å; I166-F192 HydrophobicContact CG1-CE1 4.21Å; I166-F192 HydrophobicContact CG1-CZ 3.94Å
167	T	98.4	Very high	97.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-10.6	-179.6	61.9	0	0	0	0	113	L12 V14 I165 Y175 N177 N184	L12-T167 WeakPolarHBondContact CB-O 3.17Å; L12-T167 VanDerWaalsContact CG-O 3.3Å; L12-T167 WeakPolarHBondContact CG-O 3.4Å; L12-T167 PolarHBondContact N-O 2.9Å; V14-T167 HydrophobicContact CB-CG2 3.93Å; V14-T167 HydrophobicContact CG2-CG2 3.79Å; I165-T167 HydrophobicContact CG2-CG2 4.4Å; I165-T167 PolarHBondContact O-N 3.35Å; T167-Y175 PolarHBondContact N-O 3.25Å; T167-Y175 PolarHBondContact OG1-O 3.38Å; T167-N177 HydrophobicContact CG2-CB 4.36Å; T167-N184 WeakPolarHBondContact CB-OD1 3.44Å; T167-N184 PolarHBondContact OG1-OD1 2.81Å
168	G	98	Very high	97.6	Very high	6 Å²	6	27.8 Å²	27.8	6%	0.062	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	161.1	175.9	0	0	0	0	0	112.2	Y175	G168-Y175 PolarHBondContact N-O 2.91Å; G168-Y175 PolarHBondContact O-N 3.1Å
169	V	97.5	Very high	97.7	Very high	13 Å²	13	27.7 Å²	27.7	8%	0.079	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.2	175.9	-176.6	0	0	0	0	108.5	V120 I123 I166 N173 V174	V120-V169 HydrophobicContact CG1-CG1 4.49Å; V120-V169 HydrophobicContact CG2-CB 4.37Å; V120-V169 HydrophobicContact CG2-CG1 3.99Å; V120-V169 HydrophobicContact CG2-CG2 4.25Å; I123-V169 HydrophobicContact CD1-CG2 3.93Å; I123-V169 HydrophobicContact CG2-CG2 4.45Å; I166-V169 HydrophobicContact CG2-CG2 3.91Å; V169-N173 WeakPolarHBondContact CA-O 3.47Å; V169-V174 HydrophobicContact CG1-CG2 4.37Å; V169-V174 HydrophobicContact CG2-CG1 4.31Å; V169-V174 HydrophobicContact CG2-CG2 4.31Å
170	D	95.9	Very high	97.9	Very high	55 Å²	55	27.5 Å²	27.5	29%	0.294	13%	0.133	S	C	.	.			trans	-118.5	-163.8	168.9	69	38.7	0	0	0	111.5	E172 N173 Y175 R189	D170-E172 VanDerWaalsContact C-N 3.32Å; D170-E172 PolarHBondContact OD1-N 3.38Å; D170-N173 PolarHBondContact N-O 3.35Å; D170-N173 PolarHBondContact OD1-N 3.48Å; D170-N173 PolarHBondContact OD1-ND2 3.09Å; D170-Y175 HydrophobicContact CB-CE2 4.4Å; D170-Y175 WeakPolarHBondContact OD2-CE2 3.45Å; D170-Y175 VanDerWaalsContact OD2-CZ 3.3Å; D170-Y175 PolarHBondContact OD2-OH 2.79Å; D170-R189 WeakPolarHBondContact O-CD 3.45Å; D170-R189 PolarHBondContact O-NH1 3.48Å
171	E	95	Very high	97.9	Very high	154 Å²	154	27.7 Å²	27.7	72%	0.72	14%	0.141	S	C	*	.	S	Bend	trans	-67.6	-32.3	-178.3	-65	-172.2	170.5	0	0	112.9
172	E	97.2	Very high	98	Very high	143 Å²	143	32.2 Å²	32.2	67%	0.668	16%	0.155	S	C	*	.	S	Bend	trans	-113.3	-23.3	-172	-64.6	-174.9	145.4	0	0	112.6	D170 R189	D170-E172 VanDerWaalsContact C-N 3.32Å; D170-E172 PolarHBondContact OD1-N 3.38Å; E172-R189 VanDerWaalsContact O-CB 3.29Å; E172-R189 WeakPolarHBondContact O-CB 3.27Å; E172-R189 PolarHBondContact O-N 3.25Å
173	N	98	Very high	98	Very high	36 Å²	36	36.3 Å²	36.3	19%	0.193	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.8	-167.1	-51.8	-82.4	0	0	0	114.1	V169 D170 Y175 V186 V187	V169-N173 WeakPolarHBondContact CA-O 3.47Å; D170-N173 PolarHBondContact N-O 3.35Å; D170-N173 PolarHBondContact OD1-N 3.48Å; D170-N173 PolarHBondContact OD1-ND2 3.09Å; N173-Y175 HydrophobicContact CB-CE2 4.17Å; N173-V186 HydrophobicContact CB-CG1 3.7Å; N173-V186 VanDerWaalsContact OD1-CG1 3.31Å; N173-V186 WeakPolarHBondContact OD1-CG1 3.45Å; N173-V187 CarbonylContact C-O 3.57Å; N173-V187 VanDerWaalsContact CA-O 3.25Å; N173-V187 WeakPolarHBondContact CA-O 3.37Å
174	V	98.3	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.5	162.7	-177.3	0	0	0	0	108.2	F116 I166 V169 V176 V187 R189 F192	F116-V174 HydrophobicContact CE1-CG2 4.41Å; F116-V174 HydrophobicContact CZ-CG2 3.65Å; I166-V174 HydrophobicContact CG1-CG1 4.28Å; I166-V174 HydrophobicContact CG2-CG1 3.68Å; V169-V174 HydrophobicContact CG1-CG2 4.37Å; V169-V174 HydrophobicContact CG2-CG1 4.31Å; V169-V174 HydrophobicContact CG2-CG2 4.31Å; V174-V176 HydrophobicContact CG1-CG1 3.78Å; V174-V187 PolarHBondContact N-O 3.4Å; V174-V187 PolarHBondContact O-N 2.97Å; V174-R189 HydrophobicContact CG2-CB 4.22Å; V174-R189 HydrophobicContact CG2-CG 4.21Å; V174-F192 HydrophobicContact CB-CB 4.28Å; V174-F192 HydrophobicContact CB-CD1 4.39Å; V174-F192 HydrophobicContact CB-CD2 4.18Å; V174-F192 HydrophobicContact CB-CG 4.02Å; V174-F192 HydrophobicContact CG1-CD1 4.14Å; V174-F192 HydrophobicContact CG1-CD2 4.1Å; V174-F192 HydrophobicContact CG1-CE1 4.18Å; V174-F192 HydrophobicContact CG1-CE2 4.12Å; V174-F192 HydrophobicContact CG1-CG 4.11Å; V174-F192 HydrophobicContact CG1-CZ 4.15Å; V174-F192 HydrophobicContact CG2-CB 3.91Å; V174-F192 HydrophobicContact CG2-CD1 4.04Å; V174-F192 HydrophobicContact CG2-CG 3.91Å
175	Y	98.5	Very high	97.9	Very high	50 Å²	50	40.9 Å²	40.9	20%	0.196	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.3	176.1	-58.6	-97	0	0	0	108.5	L11 T167 G168 D170 N173 R185 V186	L11-Y175 HydrophobicContact CD1-CD1 3.87Å; L11-Y175 HydrophobicContact CD1-CE1 4.37Å; L11-Y175 HydrophobicContact CD1-CG 4.2Å; L11-Y175 HydrophobicContact CD2-CD1 3.92Å; L11-Y175 HydrophobicContact CD2-CD2 3.57Å; L11-Y175 HydrophobicContact CD2-CE1 4.43Å; L11-Y175 HydrophobicContact CD2-CE2 4.14Å; L11-Y175 HydrophobicContact CD2-CG 3.45Å; L11-Y175 VanDerWaalsContact CD2-CG 3.45Å; L11-Y175 HydrophobicContact CG-CG 4.49Å; T167-Y175 PolarHBondContact N-O 3.25Å; T167-Y175 PolarHBondContact OG1-O 3.38Å; G168-Y175 PolarHBondContact N-O 2.91Å; G168-Y175 PolarHBondContact O-N 3.1Å; D170-Y175 HydrophobicContact CB-CE2 4.4Å; D170-Y175 WeakPolarHBondContact OD2-CE2 3.45Å; D170-Y175 VanDerWaalsContact OD2-CZ 3.3Å; D170-Y175 PolarHBondContact OD2-OH 2.79Å; N173-Y175 HydrophobicContact CB-CE2 4.17Å; Y175-R185 WeakPolarHBondContact CA-O 3.45Å; Y175-V186 HydrophobicContact CD1-CG2 3.9Å; Y175-V186 HydrophobicContact CE1-CG2 3.77Å
176	V	98.8	Very high	97.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.6	-176.6	-53.8	0	0	0	0	112.9	F137 V164 I165 I166 V174 N184 R185 V187 F192	F137-V176 HydrophobicContact CE1-CG2 4.03Å; F137-V176 HydrophobicContact CE2-CG2 4.39Å; F137-V176 HydrophobicContact CZ-CG2 3.52Å; V164-V176 HydrophobicContact CB-CB 4.05Å; V164-V176 HydrophobicContact CB-CG1 4.49Å; V164-V176 HydrophobicContact CB-CG2 4.25Å; V164-V176 HydrophobicContact CG1-CG2 4.32Å; V164-V176 HydrophobicContact CG2-CB 4.03Å; V164-V176 HydrophobicContact CG2-CG1 3.92Å; V164-V176 HydrophobicContact CG2-CG2 4.38Å; I165-V176 CarbonylContact O-C 3.38Å; I165-V176 WeakPolarHBondContact O-CA 3.2Å; I165-V176 WeakPolarHBondContact O-CB 3.29Å; I166-V176 HydrophobicContact CG1-CG1 4.21Å; V174-V176 HydrophobicContact CG1-CG1 3.78Å; V176-N184 CarbonylContact O-C 3.54Å; V176-N184 WeakPolarHBondContact O-CA 3.32Å; V176-N184 PolarHBondContact O-N 3.16Å; V176-R185 HydrophobicContact CG2-CB 4.08Å; V176-R185 PolarHBondContact N-O 3.5Å; V176-R185 PolarHBondContact O-N 3.25Å; V176-V187 HydrophobicContact CG2-CG2 4.32Å; V176-F192 HydrophobicContact CG1-CE2 3.75Å; V176-F192 HydrophobicContact CG1-CZ 4.12Å
177	N	98.7	Very high	97.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.9	157.1	-76.5	2.4	0	0	0	108.8	V14 L16 M37 V164 I165 T167 Y182 K183 N184	V14-N177 PolarHBondContact O-ND2 3.21Å; L16-N177 HydrophobicContact CD1-CB 4.34Å; M37-N177 HydrophobicContact CE-CB 4.14Å; M37-N177 HydrophobicContact SD-CB 3.71Å; V164-N177 WeakPolarHBondContact CB-O 3.38Å; I165-N177 HydrophobicContact CB-CB 4.41Å; I165-N177 PolarHBondContact N-O 2.9Å; I165-N177 PolarHBondContact O-N 3.18Å; T167-N177 HydrophobicContact CG2-CB 4.36Å; N177-Y182 WeakPolarHBondContact CA-O 3.16Å; N177-K183 WeakPolarHBondContact OD1-CA 3.35Å; N177-N184 PolarHBondContact OD1-N 3.37Å
178	D	98.6	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.4	-178.3	-173.9	-18.9	0	0	0	109	H162 V164 Y180 G181 Y182 R185	H162-D178 IonicContact CD2-OD1 3.3Å; H162-D178 IonicContact CE1-OD1 3.96Å; H162-D178 IonicContact NE2-OD1 2.65Å; H162-D178 PolarHBondContact NE2-OD1 2.95Å; V164-D178 HydrophobicContact CG1-CB 4.45Å; D178-Y180 PolarHBondContact O-N 3.39Å; D178-Y180 PolarHBondContact OD1-N 2.98Å; D178-G181 PolarHBondContact O-N 3.3Å; D178-Y182 HydrophobicContact CB-CD2 4.17Å; D178-Y182 PolarHBondContact N-O 2.96Å; D178-Y182 PolarHBondContact O-N 3.4Å; D178-R185 IonicContact OD2-CZ 2.86Å; D178-R185 IonicContact OD2-NH1 3.58Å; D178-R185 PolarHBondContact OD2-NH1 3.49Å
179	P	98.3	Very high	97.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-17.1	174.9	-30.5	37.9	0	0	0	115.2	D18 Q19 C30 T33 A34 M37 A163 G181	D18-P179 CarbonylContact C-O 3.36Å; D18-P179 WeakPolarHBondContact CA-O 3.36Å; Q19-P179 HydrophobicContact CB-CB 4.32Å; Q19-P179 HydrophobicContact CG-CB 4.42Å; Q19-P179 PolarHBondContact N-O 3.15Å; C30-P179 HydrophobicContact CB-CB 4.26Å; C30-P179 HydrophobicContact CB-CG 4.19Å; C30-P179 WeakPolarHBondContact O-CG 3.41Å; T33-P179 HydrophobicContact CG2-CB 3.99Å; A34-P179 HydrophobicContact CB-CG 4.01Å; M37-P179 HydrophobicContact CE-CG 3.86Å; A163-P179 WeakPolarHBondContact O-CD 3.28Å; A163-P179 VanDerWaalsContact O-CG 3.23Å; A163-P179 WeakPolarHBondContact O-CG 3.4Å; P179-G181 PolarHBondContact O-N 3.34Å
180	Y	97.7	Very high	97.9	Very high	66 Å²	66	54.9 Å²	54.9	26%	0.259	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	12.2	170.1	-67.9	-6.2	0	0	0	114.4	Q19 Y20 V135 H162 D178	Q19-Y180 VanDerWaalsContact CD-CE1 3.5Å; Q19-Y180 HydrophobicContact CG-CD1 4.12Å; Q19-Y180 HydrophobicContact CG-CE1 4.4Å; Q19-Y180 VanDerWaalsContact OE1-CD1 3.31Å; Q19-Y180 VanDerWaalsContact OE1-CE1 3.23Å; Y20-Y180 AromaticContact CE2-CD1 3.61Å; Y20-Y180 HydrophobicContact CE2-CD1 3.61Å; Y20-Y180 AromaticContact CE2-CE1 3.9Å; Y20-Y180 HydrophobicContact CE2-CE1 3.9Å; Y20-Y180 HydrophobicContact CE2-CG 4.3Å; Y20-Y180 WeakPolarHBondContact OH-CE1 3.41Å; V135-Y180 HydrophobicContact CG1-CE2 4.31Å; H162-Y180 AromaticContact CE1-CE1 3.86Å; D178-Y180 PolarHBondContact O-N 3.39Å; D178-Y180 PolarHBondContact OD1-N 2.98Å
181	G	97.4	Very high	98	Very high	29 Å²	29	55.6 Å²	55.6	30%	0.299	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	18.6	174	0	0	0	0	0	114.7	L16 D178 P179	L16-G181 WeakPolarHBondContact CD2-O 3.42Å; D178-G181 PolarHBondContact O-N 3.3Å; P179-G181 PolarHBondContact O-N 3.34Å
182	Y	98	Very high	98.2	Very high	123 Å²	123	48.2 Å²	48.2	48%	0.482	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.2	175.1	-54.7	-87	0	0	0	111.1	N177 D178	N177-Y182 WeakPolarHBondContact CA-O 3.16Å; D178-Y182 HydrophobicContact CB-CD2 4.17Å; D178-Y182 PolarHBondContact N-O 2.96Å; D178-Y182 PolarHBondContact O-N 3.4Å
183	K	98.1	Very high	98.2	Very high	86 Å²	86	45 Å²	45	37%	0.374	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	131.1	171.6	-178.9	157.3	-175.6	146.6	0	110.5	D13 V14 L16 N177 R185	D13-K183 WeakPolarHBondContact OD1-CE 3.31Å; D13-K183 IonicContact OD1-NZ 3.5Å; D13-K183 PolarHBondContact OD1-NZ 3.06Å; V14-K183 PolarHBondContact O-NZ 3.06Å; L16-K183 HydrophobicContact CB-CB 4.34Å; L16-K183 HydrophobicContact CB-CD 4.41Å; L16-K183 HydrophobicContact CD2-CB 4.08Å; N177-K183 WeakPolarHBondContact OD1-CA 3.35Å; K183-R185 PolarHBondContact O-N 3.44Å
184	N	97.3	Very high	98.2	Very high	41 Å²	41	47.7 Å²	47.7	22%	0.219	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.3	42.5	179.5	-59.8	-37.1	0	0	0	113.1	L11 T167 V176 N177 V186	L11-N184 HydrophobicContact CD1-CB 3.91Å; T167-N184 WeakPolarHBondContact CB-OD1 3.44Å; T167-N184 PolarHBondContact OG1-OD1 2.81Å; V176-N184 CarbonylContact O-C 3.54Å; V176-N184 WeakPolarHBondContact O-CA 3.32Å; V176-N184 PolarHBondContact O-N 3.16Å; N177-N184 PolarHBondContact OD1-N 3.37Å; N184-V186 PolarHBondContact O-N 3.3Å
185	R	98.1	Very high	98.3	Very high	55 Å²	55	47.7 Å²	47.7	21%	0.208	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	129.5	172.2	-175.3	164.3	174	-172.2	4.8	108.5	D136 F137 Y175 V176 D178 K183	D136-R185 IonicContact OD1-CZ 3.82Å; D136-R185 IonicContact OD1-NH1 3.41Å; D136-R185 PolarHBondContact OD1-NH1 3.38Å; D136-R185 IonicContact OD1-NH2 2.67Å; D136-R185 PolarHBondContact OD1-NH2 2.96Å; F137-R185 HydrophobicContact CE2-CG 4.16Å; Y175-R185 WeakPolarHBondContact CA-O 3.45Å; V176-R185 HydrophobicContact CG2-CB 4.08Å; V176-R185 PolarHBondContact N-O 3.5Å; V176-R185 PolarHBondContact O-N 3.25Å; D178-R185 IonicContact OD2-CZ 2.86Å; D178-R185 IonicContact OD2-NH1 3.58Å; D178-R185 PolarHBondContact OD2-NH1 3.49Å; K183-R185 PolarHBondContact O-N 3.44Å
186	V	98.1	Very high	98.3	Very high	81 Å²	81	45.5 Å²	45.5	49%	0.491	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.1	-179	-173	0	0	0	0	108.7	N173 Y175 N184	N173-V186 HydrophobicContact CB-CG1 3.7Å; N173-V186 VanDerWaalsContact OD1-CG1 3.31Å; N173-V186 WeakPolarHBondContact OD1-CG1 3.45Å; Y175-V186 HydrophobicContact CD1-CG2 3.9Å; Y175-V186 HydrophobicContact CE1-CG2 3.77Å; N184-V186 PolarHBondContact O-N 3.3Å
187	V	98.4	Very high	98.2	Very high	12 Å²	12	52.1 Å²	52.1	7%	0.073	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.4	177.6	-168.5	0	0	0	0	108.5	F137 N173 V174 V176 R189 F192	F137-V187 HydrophobicContact CB-CG1 3.58Å; F137-V187 HydrophobicContact CB-CG2 4.47Å; F137-V187 HydrophobicContact CD1-CB 4.49Å; F137-V187 HydrophobicContact CD1-CG1 3.98Å; F137-V187 HydrophobicContact CD1-CG2 3.8Å; F137-V187 HydrophobicContact CD2-CB 4.49Å; F137-V187 HydrophobicContact CD2-CG1 4.16Å; F137-V187 HydrophobicContact CD2-CG2 3.49Å; F137-V187 VanDerWaalsContact CD2-CG2 3.49Å; F137-V187 HydrophobicContact CE1-CG2 3.87Å; F137-V187 HydrophobicContact CE2-CG2 3.58Å; F137-V187 HydrophobicContact CG-CB 4.28Å; F137-V187 HydrophobicContact CG-CG1 3.61Å; F137-V187 HydrophobicContact CG-CG2 3.61Å; F137-V187 HydrophobicContact CZ-CG2 3.77Å; N173-V187 CarbonylContact C-O 3.57Å; N173-V187 VanDerWaalsContact CA-O 3.25Å; N173-V187 WeakPolarHBondContact CA-O 3.37Å; V174-V187 PolarHBondContact N-O 3.4Å; V174-V187 PolarHBondContact O-N 2.97Å; V176-V187 HydrophobicContact CG2-CG2 4.32Å; V187-R189 PolarHBondContact O-N 3.04Å; V187-F192 HydrophobicContact CB-CD2 4.13Å; V187-F192 HydrophobicContact CG1-CB 4.21Å; V187-F192 HydrophobicContact CG1-CD2 4.01Å; V187-F192 HydrophobicContact CG2-CD2 4.41Å
188	D	98.4	Very high	98.2	Very high	73 Å²	73	55.5 Å²	55.5	39%	0.39	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	131.1	173.1	-176.9	-78.1	0	0	0	109.7	T190 D191 F192	D188-T190 VanDerWaalsContact C-N 3.33Å; D188-T190 PolarHBondContact O-N 2.92Å; D188-T190 WeakPolarHBondContact OD1-CA 3.31Å; D188-T190 WeakPolarHBondContact OD1-CB 3.48Å; D188-T190 PolarHBondContact OD1-N 3.47Å; D188-D191 HydrophobicContact CB-CB 4.19Å; D188-D191 PolarHBondContact O-N 3.25Å; D188-D191 PolarHBondContact OD1-N 3.16Å; D188-D191 VanDerWaalsContact OD1-N 3.14Å; D188-F192 WeakPolarHBondContact O-CB 3.25Å; D188-F192 PolarHBondContact O-N 3.18Å
189	R	98.2	Very high	98.1	Very high	52 Å²	52	56.4 Å²	56.4	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-36.6	-175.4	176.6	176.6	171.4	171.2	-2.6	112.8	F116 D117 D170 E172 V174 V187 F192 E193	F116-R189 HydrophobicContact CE1-CG 4.13Å; D117-R189 IonicContact OD1-NH2 3.93Å; D170-R189 WeakPolarHBondContact O-CD 3.45Å; D170-R189 PolarHBondContact O-NH1 3.48Å; E172-R189 VanDerWaalsContact O-CB 3.29Å; E172-R189 WeakPolarHBondContact O-CB 3.27Å; E172-R189 PolarHBondContact O-N 3.25Å; V174-R189 HydrophobicContact CG2-CB 4.22Å; V174-R189 HydrophobicContact CG2-CG 4.21Å; V187-R189 PolarHBondContact O-N 3.04Å; R189-F192 PolarHBondContact O-N 3.29Å; R189-E193 WeakPolarHBondContact O-CB 3.4Å; R189-E193 PolarHBondContact O-N 3.35Å
190	T	98.3	Very high	98	Very high	96 Å²	96	58.1 Å²	58.1	59%	0.589	30%	0.297	S	S	*	.	H	α-helix	trans	-66.6	-47.8	-179.8	-53	0	0	0	0	109.8	D188 F192 E193 E194	D188-T190 VanDerWaalsContact C-N 3.33Å; D188-T190 PolarHBondContact O-N 2.92Å; D188-T190 WeakPolarHBondContact OD1-CA 3.31Å; D188-T190 WeakPolarHBondContact OD1-CB 3.48Å; D188-T190 PolarHBondContact OD1-N 3.47Å; T190-F192 VanDerWaalsContact C-N 3.34Å; T190-F192 PolarHBondContact O-N 2.82Å; T190-E193 PolarHBondContact O-N 2.79Å; T190-E194 PolarHBondContact O-N 3.23Å
191	D	98.5	Very high	98.1	Very high	70 Å²	70	56 Å²	56	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-43.7	177.3	-69.6	-8.9	0	0	0	110.7	V139 D188 E193 E194 I195	V139-D191 HydrophobicContact CG2-CB 3.77Å; D188-D191 HydrophobicContact CB-CB 4.19Å; D188-D191 PolarHBondContact O-N 3.25Å; D188-D191 PolarHBondContact OD1-N 3.16Å; D188-D191 VanDerWaalsContact OD1-N 3.14Å; D191-E193 PolarHBondContact O-N 2.96Å; D191-E194 PolarHBondContact O-N 3.35Å; D191-I195 WeakPolarHBondContact O-CB 3.25Å; D191-I195 VanDerWaalsContact O-CD1 3.29Å; D191-I195 WeakPolarHBondContact O-CD1 3.21Å; D191-I195 WeakPolarHBondContact O-CG1 3.3Å; D191-I195 PolarHBondContact O-N 2.93Å
192	F	98.7	Very high	98.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-42.9	179.8	-165.1	-79.1	0	0	0	112.7	F116 V131 F137 V164 I166 V174 V176 V187 D188 R189 T190 I195 Y196	F116-F192 HydrophobicContact CD2-CD1 4.48Å; F116-F192 AromaticContact CE2-CD1 3.62Å; F116-F192 HydrophobicContact CE2-CD1 3.62Å; F116-F192 AromaticContact CE2-CE1 3.87Å; F116-F192 HydrophobicContact CE2-CE1 3.87Å; F116-F192 HydrophobicContact CZ-CD1 4.06Å; V131-F192 HydrophobicContact CG2-CE1 4.15Å; V131-F192 HydrophobicContact CG2-CZ 3.71Å; F137-F192 AromaticContact CD1-CD2 3.99Å; F137-F192 HydrophobicContact CD1-CD2 3.99Å; F137-F192 HydrophobicContact CD1-CE2 4.02Å; F137-F192 HydrophobicContact CE1-CD2 4.27Å; F137-F192 AromaticContact CE1-CE2 3.88Å; F137-F192 HydrophobicContact CE1-CE2 3.88Å; V164-F192 HydrophobicContact CG2-CE2 4.16Å; V164-F192 HydrophobicContact CG2-CZ 4.09Å; I166-F192 HydrophobicContact CD1-CE1 3.7Å; I166-F192 HydrophobicContact CD1-CZ 3.95Å; I166-F192 HydrophobicContact CG1-CE1 4.21Å; I166-F192 HydrophobicContact CG1-CZ 3.94Å; V174-F192 HydrophobicContact CB-CB 4.28Å; V174-F192 HydrophobicContact CB-CD1 4.39Å; V174-F192 HydrophobicContact CB-CD2 4.18Å; V174-F192 HydrophobicContact CB-CG 4.02Å; V174-F192 HydrophobicContact CG1-CD1 4.14Å; V174-F192 HydrophobicContact CG1-CD2 4.1Å; V174-F192 HydrophobicContact CG1-CE1 4.18Å; V174-F192 HydrophobicContact CG1-CE2 4.12Å; V174-F192 HydrophobicContact CG1-CG 4.11Å; V174-F192 HydrophobicContact CG1-CZ 4.15Å; V174-F192 HydrophobicContact CG2-CB 3.91Å; V174-F192 HydrophobicContact CG2-CD1 4.04Å; V174-F192 HydrophobicContact CG2-CG 3.91Å; V176-F192 HydrophobicContact CG1-CE2 3.75Å; V176-F192 HydrophobicContact CG1-CZ 4.12Å; V187-F192 HydrophobicContact CB-CD2 4.13Å; V187-F192 HydrophobicContact CG1-CB 4.21Å; V187-F192 HydrophobicContact CG1-CD2 4.01Å; V187-F192 HydrophobicContact CG2-CD2 4.41Å; D188-F192 WeakPolarHBondContact O-CB 3.25Å; D188-F192 PolarHBondContact O-N 3.18Å; R189-F192 PolarHBondContact O-N 3.29Å; T190-F192 VanDerWaalsContact C-N 3.34Å; T190-F192 PolarHBondContact O-N 2.82Å; F192-I195 PolarHBondContact O-N 2.88Å; F192-Y196 WeakPolarHBondContact O-CB 3.34Å; F192-Y196 PolarHBondContact O-N 2.98Å
193	E	98.4	Very high	98.1	Very high	75 Å²	75	49.8 Å²	49.8	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-42.7	177.4	179.3	169.3	173.3	0	0	111.5	F116 R189 T190 D191 Y196 Q197	F116-E193 HydrophobicContact CB-CB 4.47Å; F116-E193 HydrophobicContact CB-CG 3.75Å; F116-E193 HydrophobicContact CD1-CB 3.87Å; F116-E193 HydrophobicContact CD1-CG 3.85Å; F116-E193 HydrophobicContact CE1-CB 4.31Å; F116-E193 HydrophobicContact CG-CB 4.07Å; F116-E193 HydrophobicContact CG-CG 3.88Å; R189-E193 WeakPolarHBondContact O-CB 3.4Å; R189-E193 PolarHBondContact O-N 3.35Å; T190-E193 PolarHBondContact O-N 2.79Å; D191-E193 PolarHBondContact O-N 2.96Å; E193-Y196 PolarHBondContact O-N 3.24Å; E193-Q197 PolarHBondContact O-N 2.77Å
194	E	98.4	Very high	98.2	Very high	92 Å²	92	45.7 Å²	45.7	43%	0.43	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-45.2	175.6	-175.1	169.6	-172	0	0	111.4	V139 T190 D191 Y196 Q197 L198	V139-E194 HydrophobicContact CG1-CB 4.48Å; V139-E194 HydrophobicContact CG1-CG 3.83Å; T190-E194 PolarHBondContact O-N 3.23Å; D191-E194 PolarHBondContact O-N 3.35Å; E194-Y196 PolarHBondContact O-N 2.82Å; E194-Q197 PolarHBondContact O-N 3Å; E194-L198 HydrophobicContact CG-CD1 3.82Å; E194-L198 HydrophobicContact CG-CG 4.39Å; E194-L198 WeakPolarHBondContact O-CB 3.45Å; E194-L198 VanDerWaalsContact O-CG 3.3Å; E194-L198 WeakPolarHBondContact O-CG 3.44Å; E194-L198 PolarHBondContact O-N 3.45Å
195	I	98.6	Very high	98.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-49.6	175.7	-70.4	157.9	0	0	0	111.1	T133 T134 F137 V139 D191 F192 Q197 L198 M199	T133-I195 WeakPolarHBondContact OG1-CG2 3.24Å; T134-I195 HydrophobicContact CG2-CG2 3.9Å; F137-I195 HydrophobicContact CB-CD1 4.02Å; F137-I195 VanDerWaalsContact O-CD1 3.29Å; F137-I195 WeakPolarHBondContact O-CD1 3.47Å; V139-I195 HydrophobicContact CB-CG1 4.34Å; V139-I195 HydrophobicContact CG2-CD1 4.13Å; V139-I195 HydrophobicContact CG2-CG1 4.04Å; D191-I195 WeakPolarHBondContact O-CB 3.25Å; D191-I195 VanDerWaalsContact O-CD1 3.29Å; D191-I195 WeakPolarHBondContact O-CD1 3.21Å; D191-I195 WeakPolarHBondContact O-CG1 3.3Å; D191-I195 PolarHBondContact O-N 2.93Å; F192-I195 PolarHBondContact O-N 2.88Å; I195-Q197 VanDerWaalsContact C-N 3.26Å; I195-Q197 PolarHBondContact O-N 3.12Å; I195-L198 PolarHBondContact O-N 3.25Å; I195-M199 HydrophobicContact CG2-CG 4.06Å; I195-M199 WeakPolarHBondContact O-CB 3.33Å; I195-M199 VanDerWaalsContact O-CG 3.3Å; I195-M199 WeakPolarHBondContact O-CG 3.46Å; I195-M199 PolarHBondContact O-N 3.14Å
196	Y	98.6	Very high	98.3	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-57.4	-42.5	-179.7	173.3	-112.1	0	0	0	111.3	T114 F116 L119 V131 F192 E193 E194 S201 S203	T114-Y196 VanDerWaalsContact O-CE1 3.3Å; T114-Y196 WeakPolarHBondContact O-CE1 3.03Å; T114-Y196 PolarHBondContact O-OH 2.93Å; F116-Y196 HydrophobicContact CB-CD1 4.06Å; F116-Y196 HydrophobicContact CB-CE1 4.39Å; F116-Y196 AromaticContact CD2-CD1 3.98Å; F116-Y196 HydrophobicContact CD2-CD1 3.98Å; F116-Y196 HydrophobicContact CD2-CG 4.38Å; L119-Y196 HydrophobicContact CD1-CD1 4.42Å; L119-Y196 HydrophobicContact CD1-CD2 4.43Å; L119-Y196 HydrophobicContact CD1-CE1 3.71Å; L119-Y196 HydrophobicContact CD1-CE2 3.74Å; L119-Y196 WeakPolarHBondContact CD1-OH 3.28Å; L119-Y196 HydrophobicContact CG-CE1 4.49Å; V131-Y196 HydrophobicContact CB-CD2 4.23Å; V131-Y196 HydrophobicContact CB-CE2 4.35Å; V131-Y196 HydrophobicContact CG1-CD2 4.22Å; V131-Y196 HydrophobicContact CG1-CE2 4.02Å; F192-Y196 WeakPolarHBondContact O-CB 3.34Å; F192-Y196 PolarHBondContact O-N 2.98Å; E193-Y196 PolarHBondContact O-N 3.24Å; E194-Y196 PolarHBondContact O-N 2.82Å; Y196-S201 VanDerWaalsContact CE2-CA 3.42Å; Y196-S201 WeakPolarHBondContact CE2-O 3.43Å; Y196-S201 VanDerWaalsContact CZ-C 3.44Å; Y196-S201 VanDerWaalsContact CZ-CA 3.42Å; Y196-S201 VanDerWaalsContact CZ-O 3.31Å; Y196-S201 VanDerWaalsContact O-CA 3.29Å; Y196-S201 WeakPolarHBondContact O-CA 3.41Å; Y196-S201 PolarHBondContact O-N 2.94Å; Y196-S201 PolarHBondContact OH-O 2.9Å; Y196-S203 PolarHBondContact OH-OG 2.8Å
197	Q	97.8	Very high	98.2	Very high	139 Å²	139	41.6 Å²	41.6	65%	0.65	22%	0.218	S	C	*	.	H	α-helix	trans	-65.5	-48	176.3	-173.9	177.1	15.8	0	0	112.3	E193 E194 I195 M199 G200	E193-Q197 PolarHBondContact O-N 2.77Å; E194-Q197 PolarHBondContact O-N 3Å; I195-Q197 VanDerWaalsContact C-N 3.26Å; I195-Q197 PolarHBondContact O-N 3.12Å; Q197-M199 VanDerWaalsContact C-N 3.29Å; Q197-M199 PolarHBondContact O-N 3.16Å; Q197-G200 PolarHBondContact O-N 2.87Å
198	L	97.7	Very high	97.8	Very high	71 Å²	71	47.3 Å²	47.3	37%	0.372	25%	0.248	S	C	.	.	H	α-helix	trans	-67.7	-29.1	-177.3	-70.9	173.5	0	0	0	112.8	V139 P140 F145 E194 I195 G200	V139-L198 HydrophobicContact CG1-CD1 4.26Å; P140-L198 HydrophobicContact CG-CB 3.91Å; P140-L198 HydrophobicContact CG-CD1 3.88Å; F145-L198 HydrophobicContact CZ-CB 4.19Å; F145-L198 WeakPolarHBondContact CZ-O 3.45Å; E194-L198 HydrophobicContact CG-CD1 3.82Å; E194-L198 HydrophobicContact CG-CG 4.39Å; E194-L198 WeakPolarHBondContact O-CB 3.45Å; E194-L198 VanDerWaalsContact O-CG 3.3Å; E194-L198 WeakPolarHBondContact O-CG 3.44Å; E194-L198 PolarHBondContact O-N 3.45Å; I195-L198 PolarHBondContact O-N 3.25Å; L198-G200 VanDerWaalsContact C-N 3.26Å; L198-G200 PolarHBondContact O-N 3.37Å
199	M	97.4	Very high	96.9	Very high	19 Å²	19	52.2 Å²	52.2	9%	0.094	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	20.7	177.8	-63.2	-62.9	-63.1	0	0	113.2	I132 T134 P140 F145 C161 I195 Q197	I132-M199 HydrophobicContact CG2-CB 3.9Å; I132-M199 HydrophobicContact CG2-CE 3.86Å; T134-M199 HydrophobicContact CG2-CG 3.94Å; T134-M199 HydrophobicContact CG2-SD 3.84Å; P140-M199 HydrophobicContact CG-SD 4.37Å; F145-M199 HydrophobicContact CE1-SD 4.06Å; F145-M199 HydrophobicContact CZ-SD 4.12Å; C161-M199 HydrophobicContact CB-CE 4.22Å; I195-M199 HydrophobicContact CG2-CG 4.06Å; I195-M199 WeakPolarHBondContact O-CB 3.33Å; I195-M199 VanDerWaalsContact O-CG 3.3Å; I195-M199 WeakPolarHBondContact O-CG 3.46Å; I195-M199 PolarHBondContact O-N 3.14Å; Q197-M199 VanDerWaalsContact C-N 3.29Å; Q197-M199 PolarHBondContact O-N 3.16Å
200	G	96.9	Very high	96.8	Very high	36 Å²	36	52.2 Å²	52.2	37%	0.371	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	9.9	170.3	0	0	0	0	0	115.8	N112 Q197 L198 E202	N112-G200 VanDerWaalsContact O-O 3.09Å; Q197-G200 PolarHBondContact O-N 2.87Å; L198-G200 VanDerWaalsContact C-N 3.26Å; L198-G200 PolarHBondContact O-N 3.37Å; G200-E202 PolarHBondContact O-N 3.16Å; G200-E202 VanDerWaalsContact O-N 3.16Å
201	S	98	Very high	96.8	Very high	22 Å²	22	49.9 Å²	49.9	15%	0.154	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	31	177	-52	0	0	0	0	114	N112 Y196 S203	N112-S201 WeakPolarHBondContact CA-O 3.32Å; Y196-S201 VanDerWaalsContact CE2-CA 3.42Å; Y196-S201 WeakPolarHBondContact CE2-O 3.43Å; Y196-S201 VanDerWaalsContact CZ-C 3.44Å; Y196-S201 VanDerWaalsContact CZ-CA 3.42Å; Y196-S201 VanDerWaalsContact CZ-O 3.31Å; Y196-S201 VanDerWaalsContact O-CA 3.29Å; Y196-S201 WeakPolarHBondContact O-CA 3.41Å; Y196-S201 PolarHBondContact O-N 2.94Å; Y196-S201 PolarHBondContact OH-O 2.9Å; S201-S203 PolarHBondContact O-N 3.33Å
202	E	98.5	Very high	96.7	Very high	22 Å²	22	48.8 Å²	48.8	10%	0.103	25%	0.245	C	C	.	.			trans	-75.4	122.5	-177.8	-68.7	-169.2	-143.7	0	0	111.8	H73 A90 V91 N111 N112 V131 I132 G200	H73-E202 IonicContact CE1-OE1 3.79Å; A90-E202 WeakPolarHBondContact CA-OE2 3.11Å; A90-E202 VanDerWaalsContact CB-OE2 3.29Å; A90-E202 WeakPolarHBondContact CB-OE2 3.36Å; V91-E202 HydrophobicContact CB-CB 4.17Å; V91-E202 HydrophobicContact CG1-CB 4.37Å; V91-E202 HydrophobicContact CG1-CG 4.29Å; V91-E202 PolarHBondContact N-OE2 2.67Å; N111-E202 WeakPolarHBondContact O-CA 3.48Å; N112-E202 HydrophobicContact CB-CG 4.21Å; V131-E202 VanDerWaalsContact CA-O 3.29Å; V131-E202 WeakPolarHBondContact CA-O 3.39Å; I132-E202 HydrophobicContact CB-CB 4.05Å; I132-E202 HydrophobicContact CG1-CB 3.73Å; I132-E202 HydrophobicContact CG1-CG 4.46Å; I132-E202 PolarHBondContact N-O 3.2Å; I132-E202 VanDerWaalsContact N-O 3.17Å; G200-E202 PolarHBondContact O-N 3.16Å; G200-E202 VanDerWaalsContact O-N 3.16Å
203	S	98.6	Very high	96.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.2	-173.8	58.2	0	0	0	0	112.3	V91 A110 N111 T114 W130 Y196 S201	V91-S203 WeakPolarHBondContact CG2-O 3.29Å; A110-S203 WeakPolarHBondContact CA-O 3.31Å; N111-S203 PolarHBondContact N-O 3.09Å; N111-S203 PolarHBondContact O-N 2.66Å; N111-S203 PolarHBondContact O-OG 3.48Å; T114-S203 PolarHBondContact OG1-OG 3.38Å; W130-S203 CarbonylContact O-C 3.58Å; W130-S203 VanDerWaalsContact O-CA 3.26Å; W130-S203 WeakPolarHBondContact O-CA 3.36Å; Y196-S203 PolarHBondContact OH-OG 2.8Å; S201-S203 PolarHBondContact O-N 3.33Å
204	L	98.8	Very high	96.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.2	175.6	-176.8	154.8	0	0	0	111.7	L35 L38 V91 I94 A95 A98 V108 V109 A110 W130	L35-L204 HydrophobicContact CD1-CD2 4.26Å; L38-L204 HydrophobicContact CD2-CD2 3.37Å; V91-L204 HydrophobicContact CG2-CB 3.83Å; V91-L204 HydrophobicContact CG2-CD1 4.37Å; I94-L204 HydrophobicContact CG2-CD1 4.15Å; A95-L204 HydrophobicContact CB-CD1 3.75Å; A98-L204 HydrophobicContact CB-CD1 4.28Å; V108-L204 HydrophobicContact CG1-CD1 3.75Å; V108-L204 HydrophobicContact CG1-CD2 4.38Å; V108-L204 HydrophobicContact CG1-CG 4Å; V109-L204 CarbonylContact O-C 3.57Å; V109-L204 VanDerWaalsContact O-CA 3.24Å; V109-L204 WeakPolarHBondContact O-CA 3.46Å; A110-L204 HydrophobicContact CB-CD1 4.12Å; A110-L204 HydrophobicContact CB-CG 4.35Å; W130-L204 HydrophobicContact CB-CB 4.19Å; W130-L204 WeakPolarHBondContact CB-O 3.25Å; W130-L204 HydrophobicContact CD2-CB 4.45Å; W130-L204 HydrophobicContact CE3-CB 3.97Å; W130-L204 PolarHBondContact N-O 3.08Å; W130-L204 PolarHBondContact O-N 2.93Å
205	Y	98.6	Very high	96.3	Very high	23 Å²	23	47.4 Å²	47.4	9%	0.09	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	168.4	171.3	64.3	-88.8	0	0	0	111.8	V109 V122 T127 V129 E207	V109-Y205 HydrophobicContact CB-CD1 4.24Å; V109-Y205 HydrophobicContact CB-CD2 4.22Å; V109-Y205 HydrophobicContact CB-CE1 3.87Å; V109-Y205 HydrophobicContact CB-CE2 3.88Å; V109-Y205 HydrophobicContact CB-CG 4.4Å; V109-Y205 HydrophobicContact CG1-CD1 4.39Å; V109-Y205 HydrophobicContact CG1-CE1 3.63Å; V109-Y205 HydrophobicContact CG1-CE2 4.27Å; V109-Y205 HydrophobicContact CG2-CD2 4.5Å; V109-Y205 HydrophobicContact CG2-CE2 3.96Å; V109-Y205 PolarHBondContact N-O 3.5Å; V109-Y205 PolarHBondContact O-N 2.9Å; V122-Y205 HydrophobicContact CG1-CD1 4.15Å; V122-Y205 HydrophobicContact CG1-CD2 3.75Å; V122-Y205 HydrophobicContact CG1-CE1 4.25Å; V122-Y205 HydrophobicContact CG1-CE2 3.82Å; V122-Y205 HydrophobicContact CG1-CG 3.9Å; V122-Y205 HydrophobicContact CG2-CE1 4.19Å; V122-Y205 HydrophobicContact CG2-CE2 4.31Å; T127-Y205 HydrophobicContact CG2-CD2 3.79Å; T127-Y205 HydrophobicContact CG2-CG 4.18Å; V129-Y205 HydrophobicContact CG1-CD1 4.38Å; V129-Y205 HydrophobicContact CG2-CD1 4.41Å; V129-Y205 HydrophobicContact CG2-CG 4.41Å; Y205-E207 HydrophobicContact CD2-CG 3.98Å; Y205-E207 HydrophobicContact CE2-CG 3.47Å; Y205-E207 VanDerWaalsContact CE2-CG 3.47Å; Y205-E207 WeakPolarHBondContact CE2-OE1 3.35Å; Y205-E207 PolarHBondContact OH-OE1 3.45Å
206	L	98.5	Very high	96.1	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.1	-179.8	-56.4	-177	0	0	0	110.7	L38 L39 Y42 Y44 V102 Q106 K107 V108	L38-L206 HydrophobicContact CD2-CG 4.41Å; L39-L206 HydrophobicContact CD2-CD1 4.21Å; Y42-L206 HydrophobicContact CD2-CB 4.39Å; Y42-L206 HydrophobicContact CD2-CD1 3.65Å; Y42-L206 HydrophobicContact CD2-CG 4.44Å; Y42-L206 HydrophobicContact CE2-CB 3.84Å; Y42-L206 HydrophobicContact CE2-CD1 3.89Å; Y42-L206 HydrophobicContact CE2-CG 4.18Å; Y42-L206 HydrophobicContact CG-CD1 4.26Å; Y42-L206 PolarHBondContact OH-O 3.33Å; Y44-L206 HydrophobicContact CE2-CD1 4.29Å; V102-L206 HydrophobicContact CG1-CD1 3.77Å; V102-L206 HydrophobicContact CG1-CD2 4.07Å; Q106-L206 HydrophobicContact CB-CB 4.33Å; K107-L206 WeakPolarHBondContact O-CA 3.27Å; V108-L206 HydrophobicContact CB-CD2 4.34Å; V108-L206 HydrophobicContact CG2-CD2 3.84Å
207	E	96	Very high	96	Very high	66 Å²	66	54.4 Å²	54.4	31%	0.308	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.8	172.8	-67.1	-179.4	155.8	0	0	110.4	Q106 K107 V109 Y205	Q106-E207 WeakPolarHBondContact CA-O 3.45Å; Q106-E207 WeakPolarHBondContact CB-O 2.98Å; K107-E207 HydrophobicContact CB-CB 4.41Å; K107-E207 PolarHBondContact N-O 3.38Å; K107-E207 IonicContact NZ-OE2 3.18Å; K107-E207 PolarHBondContact NZ-OE2 2.92Å; K107-E207 PolarHBondContact O-N 2.95Å; V109-E207 VanDerWaalsContact CG2-CD 3.46Å; V109-E207 HydrophobicContact CG2-CG 3.78Å; V109-E207 WeakPolarHBondContact CG2-OE2 3.4Å; Y205-E207 HydrophobicContact CD2-CG 3.98Å; Y205-E207 HydrophobicContact CE2-CG 3.47Å; Y205-E207 VanDerWaalsContact CE2-CG 3.47Å; Y205-E207 WeakPolarHBondContact CE2-OE1 3.35Å; Y205-E207 PolarHBondContact OH-OE1 3.45Å
208	D	90.8	Very high	95.8	Very high	132 Å²	132	47.3 Å²	47.3	71%	0.706	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	143.1	164.2	-67.6	-32.8	0	0	0	109.9
209	K	79.9	Confident	95.6	Very high	175 Å²	175	45.2 Å²	45.2	76%	0.761	24%	0.236	S	C	*	.			trans	-85.5	0	178.2	-69.6	-173	-176.3	169.3	0	113.8	D104 Q106 K107	D104-K209 VanDerWaalsContact CA-NZ 3.26Å; D104-K209 WeakPolarHBondContact O-CD 3.36Å; D104-K209 WeakPolarHBondContact O-CE 3.45Å; D104-K209 PolarHBondContact O-NZ 3.06Å; D104-K209 IonicContact OD1-NZ 2.8Å; D104-K209 PolarHBondContact OD1-NZ 2.71Å; Q106-K209 WeakPolarHBondContact O-CE 3.49Å; K107-K209 HydrophobicContact CB-CG 4.39Å

Retrieved 209 of 209 residues in 107.4 ms (Link to these results)

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