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Sodium channel regulatory subunit beta-3

Regulatory subunit of multiple voltage-gated sodium (Nav) channels directly mediating the depolarization of excitable membranes. Navs, also called VGSCs (voltage-gated sodium channels) or VDSCs (voltage-dependent sodium channels), operate by switching between closed and open conformations depending on the voltage difference across the membrane. In the open conformation they allow Na(+) ions to selectively pass through the pore, along their electrochemical gradient. The influx of Na+ ions provokes membrane depolarization, initiating the propagation of electrical signals throughout cells and tissues. The accessory beta subunits participate in localization and functional modulation of the Nav channels (By similarity). Modulates the activity of SCN2A/Nav1.2, causing a hyperpolarizing shift in the voltage-dependence of inactivation of the channel and increasing the fraction of channels operating in the fast gating mode (By similarity). Modulates the activity of SCN5A/Nav1.5. Could also regulate the atypical sodium channel SCN7A/Nav2.1. Modulates the activity of SCN10A/Nav1.8, regulating its oligomerization and accelerating the recovery from inactivation (By similarity).

AlphaFold DB , UniProt , Accession Q8HXJ7, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SCN3B, Length 215 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	46.7	Very low	61.9	Low	234 Å²	234	128 Å²	128	100%	1.153	66%	0.664	S	S	*	*				0	18.8	0	-75.8	175.9	172.6	0	0	117
2	P	52.4	Low	63.2	Low	109 Å²	109	122.4 Å²	122.4	71%	0.708	65%	0.645	S	S	*	*			trans	-95.7	-4.8	175.3	35.5	-33.1	0	0	0	116.1
3	A	55.2	Low	64.5	Low	79 Å²	79	121.4 Å²	121.4	65%	0.653	64%	0.639	S	S	*	*	S	Bend	trans	-81	-38.2	-174.3	0	0	0	0	0	114.4	N5 R6	A3-N5 PolarHBondContact O-N 3.08Å; A3-R6 PolarHBondContact O-N 3.43Å
4	F	56	Low	65.6	Low	153 Å²	153	117.8 Å²	117.8	67%	0.671	62%	0.624	S	S	*	*	H	α-helix	trans	-69.6	-32.4	-173.9	-163.8	-106.2	0	0	0	113.1	R6 L7 F8	F4-R6 VanDerWaalsContact C-N 3.26Å; F4-R6 PolarHBondContact O-N 3.04Å; F4-L7 PolarHBondContact O-N 3Å; F4-F8 HydrophobicContact CD1-CE2 4.49Å; F4-F8 HydrophobicContact CE1-CD2 4.17Å; F4-F8 AromaticContact CE1-CE2 3.71Å; F4-F8 HydrophobicContact CE1-CE2 3.71Å; F4-F8 HydrophobicContact CZ-CE2 4.02Å
5	N	57.6	Low	66.5	Low	135 Å²	135	117.4 Å²	117.4	72%	0.722	62%	0.621	S	S	*	*	H	α-helix	trans	-73.9	-14.8	-178.7	-136.2	15.6	0	0	0	113.4	A3 P9	A3-N5 PolarHBondContact O-N 3.08Å; N5-P9 WeakPolarHBondContact O-CD 3.49Å
6	R	60.7	Low	67.2	Low	198 Å²	198	117.1 Å²	117.1	75%	0.747	62%	0.619	S	S	*	*	H	α-helix	trans	-90.8	-18.5	175.7	-69.3	-168.9	178.8	-167.6	0.2	113.6	A3 F4 P9	A3-R6 PolarHBondContact O-N 3.43Å; F4-R6 VanDerWaalsContact C-N 3.26Å; F4-R6 PolarHBondContact O-N 3.04Å; R6-P9 WeakPolarHBondContact O-CD 3.06Å; R6-P9 WeakPolarHBondContact O-CG 3.44Å
7	L	60.9	Low	67.9	Low	109 Å²	109	120.5 Å²	120.5	57%	0.571	62%	0.623	S	S	*	*	H	α-helix	trans	-80.3	-36	-178.7	-152.5	85.6	0	0	0	112.1	F4 L10 V11	F4-L7 PolarHBondContact O-N 3Å; L7-L10 WeakPolarHBondContact O-CB 3.47Å; L7-L10 PolarHBondContact O-N 3.22Å; L7-V11 WeakPolarHBondContact O-CG2 3.26Å; L7-V11 PolarHBondContact O-N 3.27Å
8	F	63.9	Low	68.2	Low	135 Å²	135	123.9 Å²	123.9	59%	0.592	63%	0.626	S	S	*	*	H	α-helix	trans	-53.5	-48.2	176.9	-105.7	-88.3	0	0	0	115	F4 L10 V11 S12	F4-F8 HydrophobicContact CD1-CE2 4.49Å; F4-F8 HydrophobicContact CE1-CD2 4.17Å; F4-F8 AromaticContact CE1-CE2 3.71Å; F4-F8 HydrophobicContact CE1-CE2 3.71Å; F4-F8 HydrophobicContact CZ-CE2 4.02Å; F8-L10 VanDerWaalsContact C-N 3.32Å; F8-L10 PolarHBondContact O-N 2.64Å; F8-V11 PolarHBondContact O-N 3.43Å; F8-S12 WeakPolarHBondContact O-CB 3.35Å; F8-S12 PolarHBondContact O-N 3.36Å
9	P	70.4	Confident	68.4	Low	71 Å²	71	120.9 Å²	120.9	46%	0.461	62%	0.622	S	S	.	*	H	α-helix	trans	-67.5	-32.6	178.3	25.2	-34.5	0	0	0	112.3	N5 R6 L13	N5-P9 WeakPolarHBondContact O-CD 3.49Å; R6-P9 WeakPolarHBondContact O-CD 3.06Å; R6-P9 WeakPolarHBondContact O-CG 3.44Å; P9-L13 VanDerWaalsContact O-CB 3.31Å; P9-L13 WeakPolarHBondContact O-CB 3.1Å; P9-L13 PolarHBondContact O-N 3.43Å
10	L	76.7	Confident	68.7	Low	110 Å²	110	119.2 Å²	119.2	58%	0.576	62%	0.622	S	S	*	*	H	α-helix	trans	-66.8	-46.6	176.8	-95.9	148.3	0	0	0	111.8	L7 F8 S12 L13 V14	L7-L10 WeakPolarHBondContact O-CB 3.47Å; L7-L10 PolarHBondContact O-N 3.22Å; F8-L10 VanDerWaalsContact C-N 3.32Å; F8-L10 PolarHBondContact O-N 2.64Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 3.49Å; L10-V14 WeakPolarHBondContact O-CB 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.36Å; L10-V14 PolarHBondContact O-N 3.11Å
11	V	79.9	Confident	69	Low	75 Å²	75	118 Å²	118	46%	0.455	62%	0.619	S	S	.	*	H	α-helix	trans	-63.6	-41.6	176.6	176.9	0	0	0	0	110.7	L7 F8 V14 L15	L7-V11 WeakPolarHBondContact O-CG2 3.26Å; L7-V11 PolarHBondContact O-N 3.27Å; F8-V11 PolarHBondContact O-N 3.43Å; V11-V14 PolarHBondContact O-N 3.49Å; V11-L15 HydrophobicContact CG1-CD1 4.08Å; V11-L15 HydrophobicContact CG1-CG 4.46Å; V11-L15 WeakPolarHBondContact O-CB 3.34Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.45Å; V11-L15 PolarHBondContact O-N 3.07Å
12	S	78.1	Confident	70.4	Confident	61 Å²	61	111.6 Å²	111.6	43%	0.427	60%	0.597	S	S	.	*	H	α-helix	trans	-63.6	-44.6	175.5	-170.9	0	0	0	0	112.3	F8 L10 V14 L15 I16	F8-S12 WeakPolarHBondContact O-CB 3.35Å; F8-S12 PolarHBondContact O-N 3.36Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.19Å; S12-V14 VanDerWaalsContact C-N 3.32Å; S12-V14 PolarHBondContact O-N 3.07Å; S12-L15 PolarHBondContact O-N 3.27Å; S12-I16 VanDerWaalsContact O-CG1 3.25Å; S12-I16 WeakPolarHBondContact O-CG1 3.48Å; S12-I16 PolarHBondContact O-N 3.33Å
13	L	79.6	Confident	71.6	Confident	109 Å²	109	114.1 Å²	114.1	57%	0.571	60%	0.596	S	S	*	*	H	α-helix	trans	-59.4	-43	174.4	-109.8	146.1	0	0	0	111.9	P9 L10 I16 Y17	P9-L13 VanDerWaalsContact O-CB 3.31Å; P9-L13 WeakPolarHBondContact O-CB 3.1Å; P9-L13 PolarHBondContact O-N 3.43Å; L10-L13 PolarHBondContact O-N 3.49Å; L13-I16 PolarHBondContact O-N 3.49Å; L13-Y17 WeakPolarHBondContact O-CB 3.35Å; L13-Y17 PolarHBondContact O-N 2.92Å
14	V	80.7	Confident	72.6	Confident	71 Å²	71	116.6 Å²	116.6	43%	0.43	61%	0.606	S	S	.	*	H	α-helix	trans	-63.5	-46	176.8	169.6	0	0	0	0	110.1	L10 V11 S12 I16 Y17 W18	L10-V14 WeakPolarHBondContact O-CB 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.36Å; L10-V14 PolarHBondContact O-N 3.11Å; V11-V14 PolarHBondContact O-N 3.49Å; S12-V14 VanDerWaalsContact C-N 3.32Å; S12-V14 PolarHBondContact O-N 3.07Å; V14-I16 PolarHBondContact O-N 2.88Å; V14-Y17 CarbonylContact O-C 3.59Å; V14-Y17 WeakPolarHBondContact O-CA 3.46Å; V14-Y17 WeakPolarHBondContact O-CB 3.49Å; V14-Y17 PolarHBondContact O-N 3.07Å; V14-Y17 VanDerWaalsContact O-N 3.15Å; V14-W18 PolarHBondContact O-N 3.45Å
15	L	78.8	Confident	74	Confident	112 Å²	112	114.8 Å²	114.8	59%	0.586	61%	0.607	S	S	*	*	H	α-helix	trans	-62.9	-40.1	176.6	-71.3	170.8	0	0	0	113	V11 S12 Y17 W18 A19	V11-L15 HydrophobicContact CG1-CD1 4.08Å; V11-L15 HydrophobicContact CG1-CG 4.46Å; V11-L15 WeakPolarHBondContact O-CB 3.34Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.45Å; V11-L15 PolarHBondContact O-N 3.07Å; S12-L15 PolarHBondContact O-N 3.27Å; L15-Y17 VanDerWaalsContact C-N 3.31Å; L15-W18 PolarHBondContact O-N 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.25Å; L15-A19 PolarHBondContact O-N 3.08Å
16	I	78.1	Confident	75.4	Confident	112 Å²	112	111.4 Å²	111.4	57%	0.574	59%	0.593	S	S	*	*	H	α-helix	trans	-64.6	-38.8	173.3	-65.8	162.7	0	0	0	110.2	S12 L13 V14 A19 S20	S12-I16 VanDerWaalsContact O-CG1 3.25Å; S12-I16 WeakPolarHBondContact O-CG1 3.48Å; S12-I16 PolarHBondContact O-N 3.33Å; L13-I16 PolarHBondContact O-N 3.49Å; V14-I16 PolarHBondContact O-N 2.88Å; I16-A19 PolarHBondContact O-N 3.47Å; I16-S20 VanDerWaalsContact O-CB 3.32Å; I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 3.4Å
17	Y	78	Confident	76.9	Confident	176 Å²	176	106.7 Å²	106.7	69%	0.69	59%	0.587	S	S	*	*	H	α-helix	trans	-63.5	-46.8	174.6	-131.5	-93.6	0	0	0	111.3	L13 V14 L15 A19 S20 V21	L13-Y17 WeakPolarHBondContact O-CB 3.35Å; L13-Y17 PolarHBondContact O-N 2.92Å; V14-Y17 CarbonylContact O-C 3.59Å; V14-Y17 WeakPolarHBondContact O-CA 3.46Å; V14-Y17 WeakPolarHBondContact O-CB 3.49Å; V14-Y17 PolarHBondContact O-N 3.07Å; V14-Y17 VanDerWaalsContact O-N 3.15Å; L15-Y17 VanDerWaalsContact C-N 3.31Å; Y17-A19 PolarHBondContact O-N 3.13Å; Y17-S20 WeakPolarHBondContact O-CB 3.07Å; Y17-S20 PolarHBondContact O-N 3.21Å; Y17-V21 WeakPolarHBondContact O-CG2 3.29Å; Y17-V21 PolarHBondContact O-N 2.91Å
18	W	73.7	Confident	78.3	Confident	181 Å²	181	105.1 Å²	105.1	69%	0.686	58%	0.576	S	S	*	*	H	α-helix	trans	-62.3	-41.1	176.4	-72.5	112.7	0	0	0	112.2	V14 L15 S20 V21	V14-W18 PolarHBondContact O-N 3.45Å; L15-W18 PolarHBondContact O-N 3.29Å; W18-S20 VanDerWaalsContact C-N 3.33Å; W18-S20 PolarHBondContact O-N 3.49Å; W18-V21 PolarHBondContact O-N 2.97Å
19	A	72.5	Confident	79.7	Confident	67 Å²	67	101.7 Å²	101.7	55%	0.554	57%	0.566	S	S	*	*	H	α-helix	trans	-66	-34.5	175.6	0	0	0	0	0	112.5	L15 I16 Y17 V21 C22	L15-A19 WeakPolarHBondContact O-CB 3.25Å; L15-A19 PolarHBondContact O-N 3.08Å; I16-A19 PolarHBondContact O-N 3.47Å; Y17-A19 PolarHBondContact O-N 3.13Å; A19-V21 PolarHBondContact O-N 3.22Å; A19-C22 WeakPolarHBondContact O-CB 3.49Å; A19-C22 PolarHBondContact O-N 2.93Å
20	S	74.2	Confident	80.8	Confident	87 Å²	87	103.5 Å²	103.5	61%	0.608	58%	0.578	S	S	*	*	H	α-helix	trans	-64.9	-24.2	176.2	-172.4	0	0	0	0	113.1	I16 Y17 W18 C22	I16-S20 VanDerWaalsContact O-CB 3.32Å; I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 3.4Å; Y17-S20 WeakPolarHBondContact O-CB 3.07Å; Y17-S20 PolarHBondContact O-N 3.21Å; W18-S20 VanDerWaalsContact C-N 3.33Å; W18-S20 PolarHBondContact O-N 3.49Å; S20-C22 VanDerWaalsContact C-N 3.3Å
21	V	75.1	Confident	81.6	Confident	93 Å²	93	99.1 Å²	99.1	56%	0.564	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-9.2	177.8	-174.6	0	0	0	0	112.3	Y17 W18 A19 F23	Y17-V21 WeakPolarHBondContact O-CG2 3.29Å; Y17-V21 PolarHBondContact O-N 2.91Å; W18-V21 PolarHBondContact O-N 2.97Å; A19-V21 PolarHBondContact O-N 3.22Å; V21-F23 WeakPolarHBondContact O-CD2 3.31Å; V21-F23 PolarHBondContact O-N 3.23Å
22	C	75.3	Confident	82.2	Confident	101 Å²	101	100.9 Å²	100.9	68%	0.682	56%	0.56	S	S	*	*			trans	-77.4	86.5	176.7	-64.3	0	0	0	0	111	A19 S20	A19-C22 WeakPolarHBondContact O-CB 3.49Å; A19-C22 PolarHBondContact O-N 2.93Å; S20-C22 VanDerWaalsContact C-N 3.3Å
23	F	78	Confident	82.9	Confident	161 Å²	161	101.1 Å²	101.1	71%	0.706	56%	0.559	S	S	*	*			trans	-81.2	139.7	166.8	-66.6	-81.2	0	0	0	110.4	V21 V25	V21-F23 WeakPolarHBondContact O-CD2 3.31Å; V21-F23 PolarHBondContact O-N 3.23Å; F23-V25 PolarHBondContact O-N 3.37Å
24	P	77.4	Confident	83.5	Confident	131 Å²	131	101.6 Å²	101.6	85%	0.851	56%	0.558	S	S	*	*			trans	-62.4	124.9	167.4	27.5	-32.5	0	0	0	108.7
25	V	85.2	Confident	84.1	Confident	116 Å²	116	98.5 Å²	98.5	70%	0.703	54%	0.54	S	S	*	.			trans	-123.2	128.9	177.3	174.5	0	0	0	0	107.5	F23	F23-V25 PolarHBondContact O-N 3.37Å
26	C	87.1	Confident	84.8	Confident	63 Å²	63	94.9 Å²	94.9	43%	0.426	52%	0.522	S	S	.	.			trans	-75.8	138.9	170.9	73.4	0	0	0	0	109.1	C48	C26-C48 HydrophobicContact CB-CB 4.34Å; C26-C48 WeakPolarHBondContact CB-SG 3.37Å; C26-C48 PolarHBondContact O-SG 3.38Å; C26-C48 WeakPolarHBondContact SG-CB 3.37Å; C26-C48 CovalentContact SG-SG 2.03Å; C26-C48 PolarHBondContact SG-SG 3.33Å
27	V	90.7	Very high	85.5	Confident	100 Å²	100	93.6 Å²	93.6	61%	0.606	51%	0.514	S	S	*	.			trans	-118.2	129.4	-177.4	179.3	0	0	0	0	108.7	V29	V27-V29 HydrophobicContact CG1-CG2 4.22Å; V27-V29 PolarHBondContact O-N 3.2Å
28	E	92	Very high	86.2	Confident	76 Å²	76	87.1 Å²	87.1	36%	0.355	50%	0.5	S	S	.	.			trans	-80.9	97.5	174.1	-61.6	-172.4	159	0	0	109.2	C48 R139	E28-C48 HydrophobicContact CG-CB 4.15Å; E28-C48 PolarHBondContact OE1-N 2.91Å; E28-C48 VanDerWaalsContact OE1-N 3.13Å; E28-R139 IonicContact OE2-CZ 3.44Å; E28-R139 IonicContact OE2-NE 2.94Å; E28-R139 IonicContact OE2-NH2 3.13Å; E28-R139 PolarHBondContact OE2-NH2 2.94Å
29	V	93.3	Very high	87.2	Confident	63 Å²	63	82.8 Å²	82.8	38%	0.382	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-86	131.3	179.4	-174.8	0	0	0	0	109.4	V27 I46	V27-V29 HydrophobicContact CG1-CG2 4.22Å; V27-V29 PolarHBondContact O-N 3.2Å; V29-I46 HydrophobicContact CB-CD1 4.34Å
30	P	92.9	Very high	88.3	Confident	109 Å²	109	83.6 Å²	83.6	71%	0.708	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-64.3	154.8	175	27.8	-34.7	0	0	0	111.7
31	S	93	Very high	89.2	Confident	18 Å²	18	80 Å²	80	13%	0.126	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-75.1	152.3	172	-169.8	0	0	0	0	111.4	R44	S31-R44 WeakPolarHBondContact CB-O 3.43Å; S31-R44 PolarHBondContact OG-N 3.08Å
32	E	91.9	Very high	90.2	Very high	111 Å²	111	78.5 Å²	78.5	52%	0.519	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-60.5	142.6	162.1	-72.6	157.1	-141.8	0	0	109.6	M41 R44	E32-M41 HydrophobicContact CB-CE 3.63Å; E32-M41 WeakPolarHBondContact O-CE 3.44Å; E32-R44 IonicContact OE1-NH2 3.94Å; E32-R44 PolarHBondContact OE1-NH2 3.39Å
33	T	92.8	Very high	91.2	Very high	66 Å²	66	73.7 Å²	73.7	41%	0.405	42%	0.417	S	S	.	.			trans	-109.6	-8.4	-174.4	53.3	0	0	0	0	113	P142 L143 R144	T33-P142 WeakPolarHBondContact CA-O 3.39Å; T33-P142 VanDerWaalsContact CB-O 3.24Å; T33-P142 WeakPolarHBondContact CB-O 3.19Å; T33-P142 HydrophobicContact CG2-CG 4.18Å; T33-P142 WeakPolarHBondContact CG2-O 3.39Å; T33-L143 WeakPolarHBondContact O-CA 3.29Å; T33-R144 PolarHBondContact O-N 2.97Å
34	E	92.5	Very high	92.1	Very high	120 Å²	120	69.7 Å²	69.7	56%	0.561	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.5	-179.2	-61.7	-171.4	163.4	0	0	108.9	R144	E34-R144 WeakPolarHBondContact CA-O 3.05Å
35	A	92.8	Very high	93	Very high	5 Å²	5	63.5 Å²	63.5	4%	0.041	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147	176.5	0	0	0	0	0	110.5	M41 V110 L143 R144 V145 T146	A35-M41 HydrophobicContact CB-CB 3.95Å; A35-M41 HydrophobicContact CB-CE 4.42Å; A35-M41 HydrophobicContact CB-CG 3.83Å; A35-M41 HydrophobicContact CB-SD 3.99Å; A35-V110 HydrophobicContact CB-CG1 4.21Å; A35-L143 HydrophobicContact CB-CD1 3.84Å; A35-R144 PolarHBondContact N-O 3.4Å; A35-V145 HydrophobicContact CB-CG2 4.48Å; A35-V145 CarbonylContact O-C 3.56Å; A35-V145 VanDerWaalsContact O-CA 3.25Å; A35-V145 WeakPolarHBondContact O-CA 3.36Å; A35-T146 PolarHBondContact O-N 2.88Å
36	V	93.8	Very high	93.5	Very high	36 Å²	36	59.6 Å²	59.6	22%	0.218	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.6	178.9	-174.6	0	0	0	0	109.3	G38 N39 T146 A149	V36-G38 PolarHBondContact O-N 2.91Å; V36-N39 HydrophobicContact CB-CB 4.39Å; V36-N39 PolarHBondContact O-N 3.5Å; V36-T146 CarbonylContact C-O 3.59Å; V36-T146 WeakPolarHBondContact CA-O 3.36Å; V36-A149 HydrophobicContact CG2-CB 3.68Å
37	Q	93.6	Very high	93.8	Very high	86 Å²	86	56.7 Å²	56.7	40%	0.402	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	136.2	177	-171.4	-177.6	33.4	0	0	111.6	N39 V110 V145 T146	Q37-N39 PolarHBondContact O-N 3.11Å; Q37-V110 CarbonylContact C-O 3.59Å; Q37-V110 WeakPolarHBondContact CA-O 3.43Å; Q37-V145 HydrophobicContact CB-CG1 4.4Å; Q37-T146 PolarHBondContact N-O 3.38Å
38	G	93	Very high	93.8	Very high	39 Å²	39	53.2 Å²	53.2	40%	0.402	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-21.7	179	0	0	0	0	0	114.5	V36 V110	V36-G38 PolarHBondContact O-N 2.91Å; G38-V110 PolarHBondContact N-O 3.38Å
39	N	93.6	Very high	93.7	Very high	90 Å²	90	50.7 Å²	50.7	48%	0.481	28%	0.281	S	S	.	.	S	Bend	trans	-82.8	152.3	177.9	-71.7	-22.4	0	0	0	111.5	V36 Q37 V110	V36-N39 HydrophobicContact CB-CB 4.39Å; V36-N39 PolarHBondContact O-N 3.5Å; Q37-N39 PolarHBondContact O-N 3.11Å; N39-V110 WeakPolarHBondContact O-CB 3.24Å; N39-V110 VanDerWaalsContact O-CG2 3.3Å; N39-V110 WeakPolarHBondContact O-CG2 3.26Å; N39-V110 PolarHBondContact O-N 3.13Å
40	P	95.1	Very high	93.3	Very high	85 Å²	85	57.4 Å²	57.4	55%	0.552	31%	0.305	S	S	*	.			trans	-73.3	136	171.7	30.2	-33.3	0	0	0	110.5	T106 V107 L108	P40-T106 HydrophobicContact CB-CG2 4.14Å; P40-V107 CarbonylContact C-O 3.59Å; P40-V107 VanDerWaalsContact CA-O 3.31Å; P40-V107 WeakPolarHBondContact CA-O 3.4Å; P40-L108 HydrophobicContact CB-CD2 4.24Å
41	M	94.6	Very high	92.8	Very high	10 Å²	10	59.1 Å²	59.1	5%	0.049	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.7	178.7	175.2	57.7	167.1	0	0	110.9	E32 A35 L43 T106 V107 V110 L143	E32-M41 HydrophobicContact CB-CE 3.63Å; E32-M41 WeakPolarHBondContact O-CE 3.44Å; A35-M41 HydrophobicContact CB-CB 3.95Å; A35-M41 HydrophobicContact CB-CE 4.42Å; A35-M41 HydrophobicContact CB-CG 3.83Å; A35-M41 HydrophobicContact CB-SD 3.99Å; M41-L43 HydrophobicContact CG-CD2 4.31Å; M41-T106 CarbonylContact O-C 3.53Å; M41-T106 VanDerWaalsContact O-CA 3.31Å; M41-T106 WeakPolarHBondContact O-CA 3.3Å; M41-V107 PolarHBondContact N-O 3.13Å; M41-V107 PolarHBondContact O-N 3.22Å; M41-V110 HydrophobicContact CB-CG2 3.59Å; M41-L143 HydrophobicContact CE-CD1 3.67Å; M41-L143 HydrophobicContact CG-CD1 4.1Å
42	K	95.1	Very high	92.3	Very high	63 Å²	63	65.1 Å²	65.1	27%	0.274	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	107.9	173	-176.7	175.6	177.3	167.8	0	109.9	R44 N95 D102 I105	K42-R44 PolarHBondContact O-N 2.84Å; K42-N95 PolarHBondContact NZ-O 3.47Å; K42-N95 PolarHBondContact NZ-OD1 3.03Å; K42-N95 VanDerWaalsContact NZ-OD1 3.09Å; K42-D102 IonicContact NZ-OD2 2.63Å; K42-D102 PolarHBondContact NZ-OD2 3.21Å; K42-I105 CarbonylContact C-O 3.51Å
43	L	96.3	Very high	91.9	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	103.6	169.5	-61.9	176.8	0	0	0	109	M41 W62 S104 I105 V107 Y118 I141 L143	M41-L43 HydrophobicContact CG-CD2 4.31Å; L43-W62 HydrophobicContact CB-CH2 3.78Å; L43-W62 HydrophobicContact CB-CZ3 4.08Å; L43-W62 HydrophobicContact CD1-CZ3 4.27Å; L43-S104 VanDerWaalsContact O-CA 3.29Å; L43-S104 WeakPolarHBondContact O-CA 3.32Å; L43-S104 VanDerWaalsContact O-CB 3.27Å; L43-S104 WeakPolarHBondContact O-CB 3.33Å; L43-I105 HydrophobicContact CB-CG1 4.06Å; L43-I105 HydrophobicContact CD1-CD1 4.21Å; L43-I105 HydrophobicContact CD1-CG1 4.15Å; L43-I105 PolarHBondContact N-O 2.76Å; L43-I105 PolarHBondContact O-N 2.93Å; L43-I105 VanDerWaalsContact O-N 3.17Å; L43-V107 HydrophobicContact CD1-CG2 3.73Å; L43-V107 HydrophobicContact CG-CG2 4.15Å; L43-Y118 HydrophobicContact CD1-CD1 3.46Å; L43-Y118 VanDerWaalsContact CD1-CD1 3.46Å; L43-Y118 HydrophobicContact CD1-CD2 4.27Å; L43-Y118 HydrophobicContact CD1-CE1 3.78Å; L43-Y118 HydrophobicContact CD1-CG 3.72Å; L43-Y118 HydrophobicContact CD2-CD2 4.41Å; L43-Y118 HydrophobicContact CD2-CG 4.47Å; L43-I141 HydrophobicContact CD2-CG2 4.25Å; L43-L143 HydrophobicContact CD2-CD1 4.41Å; L43-L143 HydrophobicContact CD2-CD2 4.39Å
44	R	96.6	Very high	91.6	Very high	76 Å²	76	63.9 Å²	63.9	29%	0.287	32%	0.315	S	S	.	.			trans	-81.7	122.5	-173.9	-159.7	176.1	-55.5	-174.5	9.1	111.2	S31 E32 K42 I46 S104 I141	S31-R44 WeakPolarHBondContact CB-O 3.43Å; S31-R44 PolarHBondContact OG-N 3.08Å; E32-R44 IonicContact OE1-NH2 3.94Å; E32-R44 PolarHBondContact OE1-NH2 3.39Å; K42-R44 PolarHBondContact O-N 2.84Å; R44-I46 HydrophobicContact CG-CD1 4.19Å; R44-I46 HydrophobicContact CG-CG1 4.21Å; R44-S104 VanDerWaalsContact CA-OG 3.27Å; R44-S104 WeakPolarHBondContact CA-OG 3.12Å; R44-I141 WeakPolarHBondContact O-CD1 3.5Å
45	C	96.4	Very high	91.3	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.014	32%	0.322	C	S	.	.			trans	-135.8	100.8	172.6	-173.7	0	0	0	0	109.5	W62 V103 S104 C120	C45-W62 HydrophobicContact CB-CH2 3.7Å; C45-W62 HydrophobicContact CB-CZ2 3.4Å; C45-W62 VanDerWaalsContact CB-CZ2 3.4Å; C45-V103 CarbonylContact O-C 3.55Å; C45-V103 WeakPolarHBondContact O-CA 3.08Å; C45-V103 WeakPolarHBondContact O-CB 3.37Å; C45-V103 PolarHBondContact O-N 3.01Å; C45-S104 PolarHBondContact N-OG 3.5Å; C45-C120 HydrophobicContact CB-CB 3.73Å; C45-C120 WeakPolarHBondContact CB-SG 3.41Å; C45-C120 WeakPolarHBondContact SG-CB 3.37Å; C45-C120 CovalentContact SG-SG 2.04Å; C45-C120 PolarHBondContact SG-SG 2.89Å
46	I	95.3	Very high	91.1	Very high	33 Å²	33	66.3 Å²	66.3	17%	0.169	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-105	126	175.9	-58.7	169.5	0	0	0	107.4	V29 R44 Q101	V29-I46 HydrophobicContact CB-CD1 4.34Å; R44-I46 HydrophobicContact CG-CD1 4.19Å; R44-I46 HydrophobicContact CG-CG1 4.21Å; I46-Q101 WeakPolarHBondContact CA-O 3.22Å
47	S	93.9	Very high	91	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.014	33%	0.334	C	S	.	.			trans	-124	105.6	170.2	-175	0	0	0	0	108.5	Q101 R124	S47-Q101 PolarHBondContact N-O 2.72Å; S47-R124 VanDerWaalsContact O-CZ 3.28Å; S47-R124 PolarHBondContact O-NH1 3.28Å; S47-R124 PolarHBondContact O-NH2 3.44Å; S47-R124 PolarHBondContact OG-NH1 3.32Å
48	C	92	Very high	91	Very high	28 Å²	28	63.4 Å²	63.4	19%	0.189	32%	0.318	C	S	.	.			trans	-67	139.4	-179.4	-87.9	0	0	0	0	112	C26 E28 R124	C26-C48 HydrophobicContact CB-CB 4.34Å; C26-C48 WeakPolarHBondContact CB-SG 3.37Å; C26-C48 PolarHBondContact O-SG 3.38Å; C26-C48 WeakPolarHBondContact SG-CB 3.37Å; C26-C48 CovalentContact SG-SG 2.03Å; C26-C48 PolarHBondContact SG-SG 3.33Å; E28-C48 HydrophobicContact CG-CB 4.15Å; E28-C48 PolarHBondContact OE1-N 2.91Å; E28-C48 VanDerWaalsContact OE1-N 3.13Å; C48-R124 PolarHBondContact O-NH1 3.37Å
49	M	88.8	Confident	91	Very high	22 Å²	22	62.4 Å²	62.4	11%	0.108	30%	0.303	C	S	.	.			trans	-86.4	141.9	164.4	-68.4	173.8	69.8	0	0	109	R51 V54 A56 Q101 F126	M49-R51 PolarHBondContact O-N 2.9Å; M49-V54 WeakPolarHBondContact CE-O 3.44Å; M49-A56 HydrophobicContact CE-CB 3.77Å; M49-Q101 HydrophobicContact CG-CG 4.35Å; M49-Q101 HydrophobicContact SD-CG 4.43Å; M49-F126 HydrophobicContact CE-CD1 4.4Å; M49-F126 HydrophobicContact CE-CE1 3.72Å
50	K	84.5	Confident	91.1	Very high	204 Å²	204	58.1 Å²	58.1	89%	0.887	28%	0.28	S	S	*	.	S	Bend	trans	-64.4	-29.2	177.2	-174.3	173.7	-178	176.4	0	112.1
51	R	84.2	Confident	91.2	Very high	146 Å²	146	56.2 Å²	56.2	55%	0.551	26%	0.264	S	S	*	.			trans	-142.8	123.5	-179.4	-77.3	-175.9	-179.8	-71.4	-4.4	107.3	M49 E53 V54	M49-R51 PolarHBondContact O-N 2.9Å; R51-E53 VanDerWaalsContact C-N 3.33Å; R51-E53 WeakPolarHBondContact CA-OE2 3.49Å; R51-E53 HydrophobicContact CB-CG 4.42Å; R51-E53 WeakPolarHBondContact CB-OE2 3.32Å; R51-E53 WeakPolarHBondContact CD-OE1 3.28Å; R51-E53 WeakPolarHBondContact CG-OE1 3.39Å; R51-E53 IonicContact CZ-OE1 2.92Å; R51-E53 IonicContact NE-OE1 3.72Å; R51-E53 IonicContact NH1-OE1 2.59Å; R51-E53 PolarHBondContact NH1-OE1 2.86Å; R51-V54 HydrophobicContact CB-CG2 3.82Å
52	E	81.6	Confident	91.2	Very high	143 Å²	143	55.7 Å²	55.7	67%	0.668	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-26.8	-179.9	-173.5	179.9	169.9	0	0	111	V54	E52-V54 PolarHBondContact O-N 3.45Å
53	E	82.9	Confident	91.3	Very high	127 Å²	127	54.8 Å²	54.8	59%	0.593	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.4	-178	68	-88.2	-159.8	0	0	115	R51	R51-E53 VanDerWaalsContact C-N 3.33Å; R51-E53 WeakPolarHBondContact CA-OE2 3.49Å; R51-E53 HydrophobicContact CB-CG 4.42Å; R51-E53 WeakPolarHBondContact CB-OE2 3.32Å; R51-E53 WeakPolarHBondContact CD-OE1 3.28Å; R51-E53 WeakPolarHBondContact CG-OE1 3.39Å; R51-E53 IonicContact CZ-OE1 2.92Å; R51-E53 IonicContact NE-OE1 3.72Å; R51-E53 IonicContact NH1-OE1 2.59Å; R51-E53 PolarHBondContact NH1-OE1 2.86Å
54	V	86.2	Confident	91.3	Very high	24 Å²	24	55.4 Å²	55.4	15%	0.145	26%	0.26	C	S	.	.	S	Bend	trans	-98.3	120.9	-175.7	-178.3	0	0	0	0	110	M49 R51 E52 A56 F126 F128	M49-V54 WeakPolarHBondContact CE-O 3.44Å; R51-V54 HydrophobicContact CB-CG2 3.82Å; E52-V54 PolarHBondContact O-N 3.45Å; V54-A56 PolarHBondContact O-N 2.83Å; V54-F126 HydrophobicContact CB-CD1 4.46Å; V54-F126 HydrophobicContact CG1-CB 4.48Å; V54-F126 HydrophobicContact CG1-CD1 3.79Å; V54-F128 HydrophobicContact CB-CE1 4.35Å; V54-F128 HydrophobicContact CG1-CD1 4.19Å; V54-F128 HydrophobicContact CG1-CE1 3.41Å; V54-F128 VanDerWaalsContact CG1-CE1 3.41Å; V54-F128 HydrophobicContact CG1-CZ 3.61Å; V54-F128 HydrophobicContact CG2-CE1 3.94Å; V54-F128 HydrophobicContact CG2-CZ 4.37Å
55	E	86.4	Confident	91.2	Very high	153 Å²	153	56.4 Å²	56.4	72%	0.715	26%	0.264	S	S	*	.			trans	-65.1	126.2	173	-62.1	-64.6	158.3	0	0	110.8	E127	E55-E127 PolarHBondContact O-N 3.41Å; E55-E127 VanDerWaalsContact O-N 3.15Å
56	A	89.2	Confident	91	Very high	23 Å²	23	58.4 Å²	58.4	19%	0.19	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.2	179.5	0	0	0	0	0	111	M49 V54 T58 E125 F126	M49-A56 HydrophobicContact CE-CB 3.77Å; V54-A56 PolarHBondContact O-N 2.83Å; A56-T58 PolarHBondContact O-N 3.48Å; A56-T58 VanDerWaalsContact O-N 3.17Å; A56-E125 CarbonylContact C-O 3.56Å; A56-E125 WeakPolarHBondContact CA-O 3.42Å; A56-F126 HydrophobicContact CB-CD1 3.59Å; A56-F126 HydrophobicContact CB-CE1 3.91Å; A56-F126 HydrophobicContact CB-CG 4.13Å
57	T	91.4	Very high	90.8	Very high	54 Å²	54	65.1 Å²	65.1	33%	0.331	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	112.1	170.4	-69.2	0	0	0	0	108.3	R124 E125 E127	T57-R124 WeakPolarHBondContact O-CA 3.43Å; T57-E125 PolarHBondContact N-O 3.5Å; T57-E125 PolarHBondContact O-N 3.4Å; T57-E127 PolarHBondContact OG1-OE1 2.96Å
58	T	93.2	Very high	90.5	Very high	8 Å²	8	69.3 Å²	69.3	5%	0.049	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.1	-177.9	-59.8	0	0	0	0	110.5	A56 V60 L100 V122 S123 R124	A56-T58 PolarHBondContact O-N 3.48Å; A56-T58 VanDerWaalsContact O-N 3.17Å; T58-V60 HydrophobicContact CG2-CG2 4.14Å; T58-L100 HydrophobicContact CG2-CB 4.13Å; T58-L100 HydrophobicContact CG2-CD1 4.32Å; T58-V122 HydrophobicContact CG2-CG1 3.87Å; T58-S123 WeakPolarHBondContact CA-O 3.32Å; T58-R124 HydrophobicContact CG2-CG 4.03Å; T58-R124 PolarHBondContact OG1-NE 3.35Å
59	V	94.5	Very high	90.5	Very high	17 Å²	17	69.6 Å²	69.6	10%	0.103	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.9	174.6	179.1	0	0	0	0	108.6	E61 Y77 R78 S123	V59-E61 HydrophobicContact CG1-CG 4.43Å; V59-Y77 WeakPolarHBondContact CA-O 3.16Å; V59-R78 HydrophobicContact CG2-CG 4.39Å; V59-S123 PolarHBondContact N-O 3.47Å; V59-S123 PolarHBondContact O-N 2.97Å
60	V	95.6	Very high	90.7	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.1	-176.6	-173.6	0	0	0	0	108.9	T58 E76 Y77 W94 V103 N121	T58-V60 HydrophobicContact CG2-CG2 4.14Å; V60-E76 CarbonylContact O-C 3.58Å; V60-E76 WeakPolarHBondContact O-CA 3.46Å; V60-Y77 HydrophobicContact CG2-CD1 4.45Å; V60-Y77 PolarHBondContact N-O 3.2Å; V60-Y77 PolarHBondContact O-N 3.41Å; V60-W94 HydrophobicContact CG2-CH2 4.4Å; V60-V103 HydrophobicContact CB-CG1 3.71Å; V60-V103 HydrophobicContact CG1-CB 4.47Å; V60-V103 HydrophobicContact CG1-CG1 3.25Å; V60-V103 HydrophobicContact CG2-CB 4.48Å; V60-V103 HydrophobicContact CG2-CG1 3.17Å; V60-N121 WeakPolarHBondContact CA-O 3.49Å
61	E	95.8	Very high	91.1	Very high	45 Å²	45	71 Å²	71	21%	0.21	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.1	177.1	-59.9	172.9	130.9	0	0	108.8	V59 F63 L73 E76 N121	V59-E61 HydrophobicContact CG1-CG 4.43Å; E61-F63 HydrophobicContact CB-CD2 4.33Å; E61-F63 HydrophobicContact CB-CE2 3.55Å; E61-F63 HydrophobicContact CB-CZ 4.21Å; E61-L73 HydrophobicContact CB-CD1 3.79Å; E61-L73 HydrophobicContact CG-CD1 4.33Å; E61-E76 HydrophobicContact CG-CG 4.42Å; E61-N121 HydrophobicContact CB-CB 4.25Å; E61-N121 PolarHBondContact N-O 2.8Å; E61-N121 PolarHBondContact O-N 2.82Å
62	W	96.4	Very high	91.6	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.9	173.1	-79.2	92.9	0	0	0	110.1	L43 C45 L73 I74 Y75 V103 I105 T119 C120 I141	L43-W62 HydrophobicContact CB-CH2 3.78Å; L43-W62 HydrophobicContact CB-CZ3 4.08Å; L43-W62 HydrophobicContact CD1-CZ3 4.27Å; C45-W62 HydrophobicContact CB-CH2 3.7Å; C45-W62 HydrophobicContact CB-CZ2 3.4Å; C45-W62 VanDerWaalsContact CB-CZ2 3.4Å; W62-L73 WeakPolarHBondContact O-CD1 3.42Å; W62-I74 HydrophobicContact CB-CD1 4.17Å; W62-I74 HydrophobicContact CB-CG1 3.79Å; W62-I74 WeakPolarHBondContact O-CG1 3.2Å; W62-I74 PolarHBondContact O-N 2.93Å; W62-Y75 PolarHBondContact N-O 3.49Å; W62-Y75 PolarHBondContact O-N 3.49Å; W62-V103 PolarHBondContact NE1-O 2.97Å; W62-I105 HydrophobicContact CB-CD1 4.14Å; W62-I105 HydrophobicContact CD2-CD1 3.59Å; W62-I105 HydrophobicContact CD2-CG1 4.02Å; W62-I105 HydrophobicContact CE3-CD1 4.03Å; W62-I105 HydrophobicContact CE3-CG1 4.46Å; W62-I105 HydrophobicContact CG-CD1 3.65Å; W62-I105 HydrophobicContact CG-CG1 4.42Å; W62-I105 HydrophobicContact CH2-CG1 4.37Å; W62-I105 HydrophobicContact CZ2-CD1 4.45Å; W62-I105 HydrophobicContact CZ2-CG1 3.95Å; W62-T119 CarbonylContact C-O 3.13Å; W62-T119 WeakPolarHBondContact CA-O 3.4Å; W62-C120 HydrophobicContact CD2-CB 4.02Å; W62-C120 HydrophobicContact CE3-CB 3.9Å; W62-C120 HydrophobicContact CH2-CB 3.66Å; W62-C120 HydrophobicContact CZ2-CB 3.75Å; W62-C120 HydrophobicContact CZ3-CB 3.72Å; W62-I141 HydrophobicContact CH2-CD1 3.67Å; W62-I141 HydrophobicContact CZ3-CD1 3.83Å
63	F	95.9	Very high	92.3	Very high	44 Å²	44	62.7 Å²	62.7	19%	0.193	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.3	175.2	-63.3	-96.1	0	0	0	110.3	E61 D71 F72 L73 Y118 T119 N121	E61-F63 HydrophobicContact CB-CD2 4.33Å; E61-F63 HydrophobicContact CB-CE2 3.55Å; E61-F63 HydrophobicContact CB-CZ 4.21Å; F63-D71 HydrophobicContact CB-CB 4.41Å; F63-D71 HydrophobicContact CD1-CB 4.32Å; F63-F72 CarbonylContact C-O 3.59Å; F63-F72 VanDerWaalsContact CA-O 3.25Å; F63-F72 WeakPolarHBondContact CA-O 3.32Å; F63-L73 HydrophobicContact CD1-CB 4.24Å; F63-L73 HydrophobicContact CD1-CD1 4.44Å; F63-L73 HydrophobicContact CD2-CD1 4.47Å; F63-L73 HydrophobicContact CE1-CB 3.96Å; F63-L73 HydrophobicContact CE1-CD1 4.02Å; F63-L73 HydrophobicContact CE2-CD1 4.05Å; F63-L73 HydrophobicContact CZ-CD1 3.81Å; F63-Y118 CarbonylContact O-C 3.56Å; F63-Y118 WeakPolarHBondContact O-CA 3.29Å; F63-T119 PolarHBondContact N-O 2.83Å; F63-T119 PolarHBondContact O-N 2.99Å; F63-N121 WeakPolarHBondContact CE2-ND2 3.25Å
64	Y	95.6	Very high	92.8	Very high	13 Å²	13	56.7 Å²	56.7	5%	0.051	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.2	170.3	169.4	-101.6	0	0	0	110	P66 F72 F88 N113 S115 Y118	Y64-P66 HydrophobicContact CE1-CB 3.94Å; Y64-P66 HydrophobicContact CE1-CG 4.19Å; Y64-F72 AromaticContact CD1-CE1 3.58Å; Y64-F72 HydrophobicContact CD1-CE1 3.58Å; Y64-F72 HydrophobicContact CD1-CE2 4.25Å; Y64-F72 AromaticContact CD1-CZ 3.41Å; Y64-F72 HydrophobicContact CD1-CZ 3.41Å; Y64-F72 VanDerWaalsContact CD1-CZ 3.41Å; Y64-F72 HydrophobicContact CE1-CE1 4.15Å; Y64-F72 HydrophobicContact CE1-CZ 4.07Å; Y64-F72 HydrophobicContact CG-CZ 4.44Å; Y64-F72 PolarHBondContact N-O 2.79Å; Y64-F72 PolarHBondContact O-N 2.96Å; Y64-F72 VanDerWaalsContact O-N 3.1Å; Y64-F88 AromaticContact CD1-CE2 3.64Å; Y64-F88 HydrophobicContact CD1-CE2 3.64Å; Y64-F88 HydrophobicContact CD1-CZ 4.11Å; Y64-F88 HydrophobicContact CD2-CE2 4.38Å; Y64-F88 HydrophobicContact CD2-CZ 4.17Å; Y64-F88 AromaticContact CE1-CE2 3.97Å; Y64-F88 HydrophobicContact CE1-CE2 3.97Å; Y64-F88 HydrophobicContact CE1-CZ 4.14Å; Y64-F88 HydrophobicContact CE2-CZ 4.21Å; Y64-F88 AromaticContact CG-CE2 3.85Å; Y64-F88 HydrophobicContact CG-CE2 3.85Å; Y64-F88 HydrophobicContact CG-CZ 4.1Å; Y64-N113 PolarHBondContact OH-O 3.23Å; Y64-N113 VanDerWaalsContact OH-O 3.14Å; Y64-S115 PolarHBondContact OH-O 2.94Å; Y64-Y118 AromaticContact CD2-CD1 3.99Å; Y64-Y118 HydrophobicContact CD2-CD1 3.99Å; Y64-Y118 HydrophobicContact CD2-CD2 4.13Å; Y64-Y118 AromaticContact CD2-CE1 3.55Å; Y64-Y118 HydrophobicContact CD2-CE1 3.55Å; Y64-Y118 AromaticContact CD2-CE2 3.68Å; Y64-Y118 HydrophobicContact CD2-CE2 3.68Å; Y64-Y118 HydrophobicContact CD2-CG 4.28Å; Y64-Y118 AromaticContact CD2-CZ 3.39Å; Y64-Y118 HydrophobicContact CE2-CE1 4.38Å; Y64-Y118 AromaticContact CE2-CE2 3.88Å; Y64-Y118 HydrophobicContact CE2-CE2 3.88Å; Y64-Y118 AromaticContact CE2-CZ 3.78Å; Y64-Y118 HydrophobicContact CG-CE1 4.18Å
65	R	95.2	Very high	93.2	Very high	97 Å²	97	55.8 Å²	55.8	37%	0.366	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.5	174.8	-174.9	-172	-72	161.7	10.3	108.8	D71 L117	R65-D71 WeakPolarHBondContact CB-OD1 3.36Å; R65-D71 WeakPolarHBondContact CG-OD1 3.31Å; R65-D71 IonicContact CZ-OD1 3.36Å; R65-D71 IonicContact CZ-OD2 3.28Å; R65-D71 IonicContact NE-OD1 3.01Å; R65-D71 PolarHBondContact NE-OD1 3.43Å; R65-D71 IonicContact NE-OD2 3.58Å; R65-D71 IonicContact NH2-OD1 2.82Å; R65-D71 PolarHBondContact NH2-OD1 3.39Å; R65-D71 IonicContact NH2-OD2 3.38Å; R65-D71 PolarHBondContact NH2-OD2 3.46Å; R65-L117 HydrophobicContact CB-CB 4.21Å; R65-L117 PolarHBondContact N-O 3.25Å; R65-L117 PolarHBondContact O-N 2.97Å
66	P	93.2	Very high	93.6	Very high	43 Å²	43	49.8 Å²	49.8	28%	0.279	27%	0.274	S	S	.	.			trans	-69.9	158.6	169.1	27.3	-27.9	0	0	0	110.2	Y64 G68 G69	Y64-P66 HydrophobicContact CE1-CB 3.94Å; Y64-P66 HydrophobicContact CE1-CG 4.19Å; P66-G68 PolarHBondContact O-N 2.94Å; P66-G68 VanDerWaalsContact O-N 3.08Å; P66-G69 PolarHBondContact O-N 3.42Å
67	E	90.1	Very high	93.8	Very high	174 Å²	174	50.6 Å²	50.6	81%	0.813	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	116.1	179.1	-64.8	-171.3	166.1	0	0	111.1	G69	E67-G69 VanDerWaalsContact C-N 3.29Å; E67-G69 PolarHBondContact O-N 3.5Å
68	G	88.9	Confident	93.7	Very high	90 Å²	90	54 Å²	54	93%	0.928	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	2	-176.6	0	0	0	0	0	115.9	P66	P66-G68 PolarHBondContact O-N 2.94Å; P66-G68 VanDerWaalsContact O-N 3.08Å
69	G	90.6	Very high	93.4	Very high	35 Å²	35	60.7 Å²	60.7	36%	0.361	31%	0.314	S	S	.	.	S	Bend	trans	-93.1	-166.5	177.2	0	0	0	0	0	114.9	P66 E67	P66-G69 PolarHBondContact O-N 3.42Å; E67-G69 VanDerWaalsContact C-N 3.29Å; E67-G69 PolarHBondContact O-N 3.5Å
70	K	93.2	Very high	92.9	Very high	186 Å²	186	61.1 Å²	61.1	81%	0.809	32%	0.322	S	S	*	.			trans	-108	155.6	175.9	-67	-176.6	179.8	179.9	0	110.9
71	D	93.8	Very high	92.1	Very high	70 Å²	70	66.5 Å²	66.5	37%	0.374	35%	0.347	S	S	.	.			trans	-68.5	133.5	174.9	-61.8	-6.9	0	0	0	110.3	F63 R65	F63-D71 HydrophobicContact CB-CB 4.41Å; F63-D71 HydrophobicContact CD1-CB 4.32Å; R65-D71 WeakPolarHBondContact CB-OD1 3.36Å; R65-D71 WeakPolarHBondContact CG-OD1 3.31Å; R65-D71 IonicContact CZ-OD1 3.36Å; R65-D71 IonicContact CZ-OD2 3.28Å; R65-D71 IonicContact NE-OD1 3.01Å; R65-D71 PolarHBondContact NE-OD1 3.43Å; R65-D71 IonicContact NE-OD2 3.58Å; R65-D71 IonicContact NH2-OD1 2.82Å; R65-D71 PolarHBondContact NH2-OD1 3.39Å; R65-D71 IonicContact NH2-OD2 3.38Å; R65-D71 PolarHBondContact NH2-OD2 3.46Å
72	F	94.7	Very high	91.5	Very high	69 Å²	69	69.6 Å²	69.6	30%	0.303	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.2	165.3	62.6	-91.4	0	0	0	110.6	F63 Y64 I74 P87 F88	F63-F72 CarbonylContact C-O 3.59Å; F63-F72 VanDerWaalsContact CA-O 3.25Å; F63-F72 WeakPolarHBondContact CA-O 3.32Å; Y64-F72 AromaticContact CD1-CE1 3.58Å; Y64-F72 HydrophobicContact CD1-CE1 3.58Å; Y64-F72 HydrophobicContact CD1-CE2 4.25Å; Y64-F72 AromaticContact CD1-CZ 3.41Å; Y64-F72 HydrophobicContact CD1-CZ 3.41Å; Y64-F72 VanDerWaalsContact CD1-CZ 3.41Å; Y64-F72 HydrophobicContact CE1-CE1 4.15Å; Y64-F72 HydrophobicContact CE1-CZ 4.07Å; Y64-F72 HydrophobicContact CG-CZ 4.44Å; Y64-F72 PolarHBondContact N-O 2.79Å; Y64-F72 PolarHBondContact O-N 2.96Å; Y64-F72 VanDerWaalsContact O-N 3.1Å; F72-I74 HydrophobicContact CD2-CG2 3.87Å; F72-I74 HydrophobicContact CE2-CG2 3.56Å; F72-I74 HydrophobicContact CZ-CG2 4.48Å; F72-P87 HydrophobicContact CZ-CG 4.42Å; F72-F88 HydrophobicContact CZ-CE2 4.42Å
73	L	94.7	Very high	90.6	Very high	44 Å²	44	73.5 Å²	73.5	23%	0.23	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128	-178.7	-174.5	71.3	0	0	0	109.4	E61 W62 F63 E76 V84	E61-L73 HydrophobicContact CB-CD1 3.79Å; E61-L73 HydrophobicContact CG-CD1 4.33Å; W62-L73 WeakPolarHBondContact O-CD1 3.42Å; F63-L73 HydrophobicContact CD1-CB 4.24Å; F63-L73 HydrophobicContact CD1-CD1 4.44Å; F63-L73 HydrophobicContact CD2-CD1 4.47Å; F63-L73 HydrophobicContact CE1-CB 3.96Å; F63-L73 HydrophobicContact CE1-CD1 4.02Å; F63-L73 HydrophobicContact CE2-CD1 4.05Å; F63-L73 HydrophobicContact CZ-CD1 3.81Å; L73-E76 HydrophobicContact CD2-CB 4.45Å; L73-V84 HydrophobicContact CD2-CG1 4.46Å; L73-V84 HydrophobicContact CD2-CG2 3.73Å; L73-V84 HydrophobicContact CG-CG2 3.99Å
74	I	94.3	Very high	90.2	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-27.6	178.3	56.8	163.5	0	0	0	112.6	W62 F72 F88 L92 I105 Y118	W62-I74 HydrophobicContact CB-CD1 4.17Å; W62-I74 HydrophobicContact CB-CG1 3.79Å; W62-I74 WeakPolarHBondContact O-CG1 3.2Å; W62-I74 PolarHBondContact O-N 2.93Å; F72-I74 HydrophobicContact CD2-CG2 3.87Å; F72-I74 HydrophobicContact CE2-CG2 3.56Å; F72-I74 HydrophobicContact CZ-CG2 4.48Å; I74-F88 HydrophobicContact CB-CD2 4.45Å; I74-F88 HydrophobicContact CG2-CD2 3.7Å; I74-F88 HydrophobicContact CG2-CE2 4.22Å; I74-F88 HydrophobicContact CG2-CG 4.46Å; I74-L92 HydrophobicContact CB-CD1 4.15Å; I74-L92 HydrophobicContact CD1-CD1 4.2Å; I74-L92 HydrophobicContact CG1-CD1 4.38Å; I74-I105 HydrophobicContact CD1-CD1 4.31Å; I74-Y118 HydrophobicContact CD1-CD1 3.88Å; I74-Y118 HydrophobicContact CD1-CE1 3.88Å
75	Y	94.3	Very high	89.7	Confident	5 Å²	5	81 Å²	81	2%	0.02	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	135.2	-176.9	-165.7	-90.2	0	0	0	110.8	W62 H81 E83 L92 W94 I105	W62-Y75 PolarHBondContact N-O 3.49Å; W62-Y75 PolarHBondContact O-N 3.49Å; Y75-H81 WeakPolarHBondContact OH-CB 3.41Å; Y75-H81 PolarHBondContact OH-ND1 3.49Å; Y75-H81 VanDerWaalsContact OH-ND1 3.12Å; Y75-E83 HydrophobicContact CD2-CG 4.05Å; Y75-E83 HydrophobicContact CE2-CG 3.89Å; Y75-L92 HydrophobicContact CD2-CB 4.2Å; Y75-L92 HydrophobicContact CD2-CD1 4.15Å; Y75-W94 HydrophobicContact CD1-CE3 4.46Å; Y75-W94 AromaticContact CE1-CE3 3.55Å; Y75-W94 HydrophobicContact CE1-CE3 3.55Å; Y75-W94 AromaticContact CE1-CZ3 3.88Å; Y75-W94 HydrophobicContact CE1-CZ3 3.88Å; Y75-I105 HydrophobicContact CD1-CG2 4.27Å; Y75-I105 HydrophobicContact CE1-CG2 4.4Å
76	E	94.7	Very high	89.2	Confident	28 Å²	28	77.1 Å²	77.1	13%	0.131	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.3	173.5	-171.9	-178.3	-163.4	0	0	109.7	V60 E61 L73 R78 Q82 V84	V60-E76 CarbonylContact O-C 3.58Å; V60-E76 WeakPolarHBondContact O-CA 3.46Å; E61-E76 HydrophobicContact CG-CG 4.42Å; L73-E76 HydrophobicContact CD2-CB 4.45Å; E76-R78 HydrophobicContact CG-CB 4.48Å; E76-R78 IonicContact OE1-CZ 3.74Å; E76-R78 IonicContact OE1-NE 3.88Å; E76-R78 PolarHBondContact OE1-NE 3.23Å; E76-R78 IonicContact OE1-NH2 2.82Å; E76-R78 PolarHBondContact OE1-NH2 3.45Å; E76-Q82 PolarHBondContact N-O 2.92Å; E76-Q82 VanDerWaalsContact N-O 3.11Å; E76-Q82 CarbonylContact O-C 3.6Å; E76-Q82 PolarHBondContact O-N 2.9Å; E76-V84 HydrophobicContact CB-CG2 4.38Å
77	Y	93.1	Very high	88.9	Confident	40 Å²	40	79.6 Å²	79.6	16%	0.157	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.9	168.4	-172.7	-90.6	0	0	0	109.2	V59 V60 G80 H81 W94 L100	V59-Y77 WeakPolarHBondContact CA-O 3.16Å; V60-Y77 HydrophobicContact CG2-CD1 4.45Å; V60-Y77 PolarHBondContact N-O 3.2Å; V60-Y77 PolarHBondContact O-N 3.41Å; Y77-G80 WeakPolarHBondContact CA-O 3.19Å; Y77-G80 WeakPolarHBondContact CD2-O 3.39Å; Y77-H81 AromaticContact CD2-CE1 3.86Å; Y77-H81 AromaticContact CD2-ND1 3.36Å; Y77-H81 WeakPolarHBondContact CD2-ND1 3.46Å; Y77-H81 AromaticContact CE2-CE1 3.39Å; Y77-H81 WeakPolarHBondContact CE2-CE1 3.31Å; Y77-H81 AromaticContact CE2-ND1 3.33Å; Y77-H81 VanDerWaalsContact CE2-ND1 3.33Å; Y77-H81 WeakPolarHBondContact CE2-ND1 3.43Å; Y77-W94 HydrophobicContact CD1-CH2 4.34Å; Y77-W94 HydrophobicContact CD2-CE3 4.45Å; Y77-W94 HydrophobicContact CD2-CH2 4.07Å; Y77-W94 HydrophobicContact CD2-CZ2 4.22Å; Y77-W94 HydrophobicContact CD2-CZ3 4.24Å; Y77-W94 HydrophobicContact CE2-CZ2 4.38Å; Y77-W94 AromaticContact CG-CH2 3.88Å; Y77-W94 HydrophobicContact CG-CH2 3.88Å; Y77-W94 HydrophobicContact CG-CZ2 4.34Å; Y77-W94 HydrophobicContact CG-CZ3 4.19Å; Y77-L100 HydrophobicContact CD1-CD2 4.05Å; Y77-L100 HydrophobicContact CE1-CD1 3.82Å; Y77-L100 HydrophobicContact CE1-CD2 3.37Å; Y77-L100 HydrophobicContact CE1-CG 4.26Å
78	R	91	Very high	88.8	Confident	125 Å²	125	71.5 Å²	71.5	47%	0.472	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	104.5	177.8	-177.2	-174	-60.7	-87.3	-1.1	108.5	V59 E76 G80	V59-R78 HydrophobicContact CG2-CG 4.39Å; E76-R78 HydrophobicContact CG-CB 4.48Å; E76-R78 IonicContact OE1-CZ 3.74Å; E76-R78 IonicContact OE1-NE 3.88Å; E76-R78 PolarHBondContact OE1-NE 3.23Å; E76-R78 IonicContact OE1-NH2 2.82Å; E76-R78 PolarHBondContact OE1-NH2 3.45Å; R78-G80 PolarHBondContact N-O 2.9Å; R78-G80 VanDerWaalsContact N-O 3.11Å; R78-G80 PolarHBondContact O-N 3.02Å
79	N	85.4	Confident	88.8	Confident	148 Å²	148	72.5 Å²	72.5	79%	0.791	37%	0.365	S	S	*	.	S	Bend	trans	52.8	26	-176	-62.9	-19.3	0	0	0	114
80	G	85.3	Confident	88.8	Confident	26 Å²	26	73.6 Å²	73.6	27%	0.268	38%	0.376	S	S	.	.	S	Bend	trans	148.1	169.9	-172	0	0	0	0	0	111.7	Y77 R78	Y77-G80 WeakPolarHBondContact CA-O 3.19Å; Y77-G80 WeakPolarHBondContact CD2-O 3.39Å; R78-G80 PolarHBondContact N-O 2.9Å; R78-G80 VanDerWaalsContact N-O 3.11Å; R78-G80 PolarHBondContact O-N 3.02Å
81	H	78.8	Confident	88.7	Confident	114 Å²	114	67.5 Å²	67.5	53%	0.528	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.6	179.5	-53	-61.7	0	0	0	110.6	Y75 Y77 W94	Y75-H81 WeakPolarHBondContact OH-CB 3.41Å; Y75-H81 PolarHBondContact OH-ND1 3.49Å; Y75-H81 VanDerWaalsContact OH-ND1 3.12Å; Y77-H81 AromaticContact CD2-CE1 3.86Å; Y77-H81 AromaticContact CD2-ND1 3.36Å; Y77-H81 WeakPolarHBondContact CD2-ND1 3.46Å; Y77-H81 AromaticContact CE2-CE1 3.39Å; Y77-H81 WeakPolarHBondContact CE2-CE1 3.31Å; Y77-H81 AromaticContact CE2-ND1 3.33Å; Y77-H81 VanDerWaalsContact CE2-ND1 3.33Å; Y77-H81 WeakPolarHBondContact CE2-ND1 3.43Å; H81-W94 AromaticContact CE1-CD1 3.23Å; H81-W94 AromaticContact CE1-CD2 3.75Å; H81-W94 AromaticContact CE1-CE2 3.96Å; H81-W94 AromaticContact CE1-CG 3.23Å; H81-W94 AromaticContact CE1-NE1 3.66Å; H81-W94 AromaticContact ND1-CD1 4Å; H81-W94 AromaticContact ND1-CD2 3.84Å; H81-W94 AromaticContact ND1-CG 3.54Å
82	Q	81.4	Confident	88.7	Confident	109 Å²	109	64.4 Å²	64.4	51%	0.509	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	103.5	173.4	-171.2	170.1	2.1	0	0	109.8	E76	E76-Q82 PolarHBondContact N-O 2.92Å; E76-Q82 VanDerWaalsContact N-O 3.11Å; E76-Q82 CarbonylContact O-C 3.6Å; E76-Q82 PolarHBondContact O-N 2.9Å
83	E	78.4	Confident	88.7	Confident	82 Å²	82	66.1 Å²	66.1	38%	0.383	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.9	167.4	-76.4	-174.3	-155	0	0	109.7	Y75 G90	Y75-E83 HydrophobicContact CD2-CG 4.05Å; Y75-E83 HydrophobicContact CE2-CG 3.89Å; E83-G90 PolarHBondContact OE2-N 3.2Å
84	V	86.9	Confident	88.6	Confident	37 Å²	37	66.6 Å²	66.6	22%	0.224	34%	0.339	C	S	.	.			trans	-95.5	142	176.2	-179.1	0	0	0	0	108.2	L73 E76 S86	L73-V84 HydrophobicContact CD2-CG1 4.46Å; L73-V84 HydrophobicContact CD2-CG2 3.73Å; L73-V84 HydrophobicContact CG-CG2 3.99Å; E76-V84 HydrophobicContact CB-CG2 4.38Å; V84-S86 WeakPolarHBondContact O-CB 3.3Å; V84-S86 PolarHBondContact O-N 3.44Å; V84-S86 PolarHBondContact O-OG 3.42Å
85	E	85.5	Confident	88.5	Confident	177 Å²	177	69.9 Å²	69.9	83%	0.827	36%	0.357	S	S	*	.	S	Bend	trans	-59	100.9	175.6	-170.4	174	-170.7	0	0	109.3
86	S	86	Confident	88.4	Confident	17 Å²	17	70.8 Å²	70.8	12%	0.119	37%	0.368	C	S	.	.	S	Bend	trans	-149.5	162.9	-172.8	70.9	0	0	0	0	109.3	V84 F88 Q89	V84-S86 WeakPolarHBondContact O-CB 3.3Å; V84-S86 PolarHBondContact O-N 3.44Å; V84-S86 PolarHBondContact O-OG 3.42Å; S86-F88 PolarHBondContact O-N 3.31Å; S86-F88 PolarHBondContact OG-N 3.43Å; S86-Q89 VanDerWaalsContact O-CB 3.28Å; S86-Q89 WeakPolarHBondContact O-CB 3.49Å; S86-Q89 PolarHBondContact O-N 2.94Å
87	P	86.6	Confident	88.2	Confident	95 Å²	95	71.1 Å²	71.1	62%	0.617	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-8.9	174.2	-22.9	34.4	0	0	0	114.4	F72 R91	F72-P87 HydrophobicContact CZ-CG 4.42Å; P87-R91 PolarHBondContact O-NH2 3.48Å
88	F	88.3	Confident	88	Confident	4 Å²	4	79.4 Å²	79.4	2%	0.018	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-1.8	178.5	-67	-87.5	0	0	0	113.2	Y64 F72 I74 S86 G90 R91 L92 V107 D114 Y118	Y64-F88 AromaticContact CD1-CE2 3.64Å; Y64-F88 HydrophobicContact CD1-CE2 3.64Å; Y64-F88 HydrophobicContact CD1-CZ 4.11Å; Y64-F88 HydrophobicContact CD2-CE2 4.38Å; Y64-F88 HydrophobicContact CD2-CZ 4.17Å; Y64-F88 AromaticContact CE1-CE2 3.97Å; Y64-F88 HydrophobicContact CE1-CE2 3.97Å; Y64-F88 HydrophobicContact CE1-CZ 4.14Å; Y64-F88 HydrophobicContact CE2-CZ 4.21Å; Y64-F88 AromaticContact CG-CE2 3.85Å; Y64-F88 HydrophobicContact CG-CE2 3.85Å; Y64-F88 HydrophobicContact CG-CZ 4.1Å; F72-F88 HydrophobicContact CZ-CE2 4.42Å; I74-F88 HydrophobicContact CB-CD2 4.45Å; I74-F88 HydrophobicContact CG2-CD2 3.7Å; I74-F88 HydrophobicContact CG2-CE2 4.22Å; I74-F88 HydrophobicContact CG2-CG 4.46Å; S86-F88 PolarHBondContact O-N 3.31Å; S86-F88 PolarHBondContact OG-N 3.43Å; F88-G90 PolarHBondContact O-N 3.31Å; F88-R91 WeakPolarHBondContact O-CB 3.36Å; F88-R91 PolarHBondContact O-N 3.42Å; F88-L92 HydrophobicContact CB-CD1 3.77Å; F88-L92 HydrophobicContact CB-CD2 4.13Å; F88-L92 HydrophobicContact CB-CG 3.83Å; F88-L92 HydrophobicContact CD1-CD2 4.36Å; F88-L92 PolarHBondContact O-N 2.94Å; F88-V107 HydrophobicContact CD1-CG1 4.35Å; F88-D114 HydrophobicContact CE1-CB 4.03Å; F88-D114 WeakPolarHBondContact CE1-OD1 3.4Å; F88-D114 HydrophobicContact CZ-CB 4.35Å; F88-D114 WeakPolarHBondContact CZ-OD1 3.44Å; F88-Y118 HydrophobicContact CE1-CE1 4.47Å; F88-Y118 VanDerWaalsContact CE1-OH 3.28Å; F88-Y118 WeakPolarHBondContact CE1-OH 3.4Å; F88-Y118 HydrophobicContact CZ-CE1 4.43Å; F88-Y118 WeakPolarHBondContact CZ-OH 3.32Å
89	Q	87.8	Confident	87.8	Confident	110 Å²	110	76.6 Å²	76.6	51%	0.514	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	133.5	-179.6	-171.5	175.4	7.3	0	0	111.5	S86 R91	S86-Q89 VanDerWaalsContact O-CB 3.28Å; S86-Q89 WeakPolarHBondContact O-CB 3.49Å; S86-Q89 PolarHBondContact O-N 2.94Å; Q89-R91 PolarHBondContact O-N 3.45Å
90	G	90	Very high	88.1	Confident	58 Å²	58	70.9 Å²	70.9	60%	0.598	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	-3.3	-176.1	0	0	0	0	0	115.7	E83 F88	E83-G90 PolarHBondContact OE2-N 3.2Å; F88-G90 PolarHBondContact O-N 3.31Å
91	R	92.9	Very high	88.4	Confident	58 Å²	58	70.8 Å²	70.8	22%	0.219	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-10.3	174.2	-59.5	-169.7	-67.3	150.2	2.8	113.2	P87 F88 Q89 L108 D114	P87-R91 PolarHBondContact O-NH2 3.48Å; F88-R91 WeakPolarHBondContact O-CB 3.36Å; F88-R91 PolarHBondContact O-N 3.42Å; Q89-R91 PolarHBondContact O-N 3.45Å; R91-L108 WeakPolarHBondContact O-CB 3.46Å; R91-L108 WeakPolarHBondContact O-CG 3.25Å; R91-L108 PolarHBondContact O-N 2.99Å; R91-D114 IonicContact CZ-OD1 3.85Å; R91-D114 IonicContact CZ-OD2 3.98Å; R91-D114 IonicContact NH1-OD1 2.88Å; R91-D114 PolarHBondContact NH1-OD1 2.91Å; R91-D114 IonicContact NH1-OD2 2.74Å; R91-D114 PolarHBondContact NH1-OD2 3.12Å; R91-D114 IonicContact NH2-OD1 3.67Å; R91-D114 PolarHBondContact NH2-OD1 2.86Å; R91-D114 IonicContact NH2-OD2 3.92Å
92	L	93.6	Very high	89.1	Confident	6 Å²	6	67.1 Å²	67.1	3%	0.031	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.2	-179.5	-60.2	178.8	0	0	0	110.6	I74 Y75 F88 I105 V107	I74-L92 HydrophobicContact CB-CD1 4.15Å; I74-L92 HydrophobicContact CD1-CD1 4.2Å; I74-L92 HydrophobicContact CG1-CD1 4.38Å; Y75-L92 HydrophobicContact CD2-CB 4.2Å; Y75-L92 HydrophobicContact CD2-CD1 4.15Å; F88-L92 HydrophobicContact CB-CD1 3.77Å; F88-L92 HydrophobicContact CB-CD2 4.13Å; F88-L92 HydrophobicContact CB-CG 3.83Å; F88-L92 HydrophobicContact CD1-CD2 4.36Å; F88-L92 PolarHBondContact O-N 2.94Å; L92-I105 HydrophobicContact CD2-CD1 4.38Å; L92-V107 HydrophobicContact CD2-CB 4.34Å; L92-V107 HydrophobicContact CD2-CG1 4.33Å; L92-V107 HydrophobicContact CD2-CG2 3.76Å
93	Q	93.2	Very high	89.7	Confident	104 Å²	104	61.9 Å²	61.9	49%	0.486	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.2	172.5	-70.8	-173.2	-6.9	0	0	110.7	N95 I105 T106 L108	Q93-N95 PolarHBondContact O-N 3.45Å; Q93-I105 CarbonylContact O-C 3.57Å; Q93-I105 WeakPolarHBondContact O-CA 3.49Å; Q93-T106 PolarHBondContact N-O 3.46Å; Q93-T106 PolarHBondContact O-N 2.88Å; Q93-L108 HydrophobicContact CG-CD1 3.9Å; Q93-L108 HydrophobicContact CG-CD2 4.32Å; Q93-L108 HydrophobicContact CG-CG 4.12Å
94	W	93.2	Very high	90.6	Very high	54 Å²	54	58 Å²	58	21%	0.205	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.1	172.1	-177.2	-102.2	0	0	0	111.4	V60 Y75 Y77 H81 L100 V103 I105	V60-W94 HydrophobicContact CG2-CH2 4.4Å; Y75-W94 HydrophobicContact CD1-CE3 4.46Å; Y75-W94 AromaticContact CE1-CE3 3.55Å; Y75-W94 HydrophobicContact CE1-CE3 3.55Å; Y75-W94 AromaticContact CE1-CZ3 3.88Å; Y75-W94 HydrophobicContact CE1-CZ3 3.88Å; Y77-W94 HydrophobicContact CD1-CH2 4.34Å; Y77-W94 HydrophobicContact CD2-CE3 4.45Å; Y77-W94 HydrophobicContact CD2-CH2 4.07Å; Y77-W94 HydrophobicContact CD2-CZ2 4.22Å; Y77-W94 HydrophobicContact CD2-CZ3 4.24Å; Y77-W94 HydrophobicContact CE2-CZ2 4.38Å; Y77-W94 AromaticContact CG-CH2 3.88Å; Y77-W94 HydrophobicContact CG-CH2 3.88Å; Y77-W94 HydrophobicContact CG-CZ2 4.34Å; Y77-W94 HydrophobicContact CG-CZ3 4.19Å; H81-W94 AromaticContact CE1-CD1 3.23Å; H81-W94 AromaticContact CE1-CD2 3.75Å; H81-W94 AromaticContact CE1-CE2 3.96Å; H81-W94 AromaticContact CE1-CG 3.23Å; H81-W94 AromaticContact CE1-NE1 3.66Å; H81-W94 AromaticContact ND1-CD1 4Å; H81-W94 AromaticContact ND1-CD2 3.84Å; H81-W94 AromaticContact ND1-CG 3.54Å; W94-L100 HydrophobicContact CZ2-CD2 4.05Å; W94-V103 HydrophobicContact CH2-CB 4.38Å; W94-V103 HydrophobicContact CH2-CG1 3.38Å; W94-V103 HydrophobicContact CZ2-CG1 4.27Å; W94-V103 HydrophobicContact CZ3-CG1 3.98Å; W94-I105 HydrophobicContact CE3-CG2 3.88Å; W94-I105 HydrophobicContact CZ3-CG2 4.26Å
95	N	92.8	Very high	91	Very high	71 Å²	71	56.2 Å²	56.2	38%	0.38	30%	0.297	S	S	.	.			trans	-135.1	48.2	176.7	-164.7	-27.2	0	0	0	109.9	K42 Q93 S104 T106	K42-N95 PolarHBondContact NZ-O 3.47Å; K42-N95 PolarHBondContact NZ-OD1 3.03Å; K42-N95 VanDerWaalsContact NZ-OD1 3.09Å; Q93-N95 PolarHBondContact O-N 3.45Å; N95-S104 CarbonylContact C-O 3.55Å; N95-S104 WeakPolarHBondContact CA-O 3.35Å; N95-S104 PolarHBondContact N-O 3.4Å; N95-S104 WeakPolarHBondContact O-CB 3.48Å; N95-T106 WeakPolarHBondContact CB-OG1 3.48Å; N95-T106 PolarHBondContact ND2-OG1 2.89Å
96	G	91.5	Very high	91.4	Very high	24 Å²	24	48.5 Å²	48.5	25%	0.247	26%	0.262	C	S	.	.			trans	-105.7	162.8	177.6	0	0	0	0	0	112.9	D102 S104	G96-D102 CarbonylContact C-O 3.52Å; G96-D102 WeakPolarHBondContact CA-O 3.42Å; G96-S104 PolarHBondContact N-O 3.05Å
97	S	91.2	Very high	91.9	Very high	35 Å²	35	47.7 Å²	47.7	25%	0.245	26%	0.256	C	S	.	.			trans	-83.7	159.2	179.2	62.2	0	0	0	0	111.9	D99 L100 D102	S97-D99 VanDerWaalsContact C-N 3.27Å; S97-D99 WeakPolarHBondContact CB-OD1 3.31Å; S97-D99 PolarHBondContact O-N 3.34Å; S97-D99 PolarHBondContact OG-OD1 3.46Å; S97-L100 PolarHBondContact O-N 3.39Å; S97-L100 VanDerWaalsContact O-N 3.09Å; S97-D102 PolarHBondContact N-O 3.09Å; S97-D102 WeakPolarHBondContact OG-CB 3.44Å; S97-D102 PolarHBondContact OG-N 3.09Å
98	K	87.7	Confident	92.3	Very high	214 Å²	214	45.2 Å²	45.2	93%	0.93	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.7	-176.5	-174.1	-177.5	175.9	-171.6	0	113	L100	K98-L100 PolarHBondContact O-N 3.22Å
99	D	88.3	Confident	92.5	Very high	66 Å²	66	50.3 Å²	50.3	35%	0.353	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.7	176.1	63.3	-28.9	0	0	0	113.4	S97 Q101	S97-D99 VanDerWaalsContact C-N 3.27Å; S97-D99 WeakPolarHBondContact CB-OD1 3.31Å; S97-D99 PolarHBondContact O-N 3.34Å; S97-D99 PolarHBondContact OG-OD1 3.46Å; D99-Q101 PolarHBondContact O-N 2.97Å; D99-Q101 VanDerWaalsContact O-N 3.09Å; D99-Q101 WeakPolarHBondContact OD2-CB 3.13Å; D99-Q101 VanDerWaalsContact OD2-CG 3.23Å; D99-Q101 WeakPolarHBondContact OD2-CG 3.48Å; D99-Q101 PolarHBondContact OD2-NE2 3.2Å
100	L	91	Very high	92.8	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.141	24%	0.241	C	C	.	.	S	Bend	trans	56.6	25	178.5	-53.4	174.3	0	0	0	113.8	T58 Y77 W94 S97 K98 V103 R124	T58-L100 HydrophobicContact CG2-CB 4.13Å; T58-L100 HydrophobicContact CG2-CD1 4.32Å; Y77-L100 HydrophobicContact CD1-CD2 4.05Å; Y77-L100 HydrophobicContact CE1-CD1 3.82Å; Y77-L100 HydrophobicContact CE1-CD2 3.37Å; Y77-L100 HydrophobicContact CE1-CG 4.26Å; W94-L100 HydrophobicContact CZ2-CD2 4.05Å; S97-L100 PolarHBondContact O-N 3.39Å; S97-L100 VanDerWaalsContact O-N 3.09Å; K98-L100 PolarHBondContact O-N 3.22Å; L100-V103 VanDerWaalsContact O-CG2 3.29Å; L100-V103 WeakPolarHBondContact O-CG2 3.38Å; L100-R124 PolarHBondContact O-NH2 3.42Å
101	Q	91.3	Very high	93	Very high	24 Å²	24	44.7 Å²	44.7	11%	0.112	23%	0.227	C	C	.	.	S	Bend	trans	-83.1	-42.6	169.4	-68.7	-164.8	82.8	0	0	111.5	I46 S47 M49 D99	I46-Q101 WeakPolarHBondContact CA-O 3.22Å; S47-Q101 PolarHBondContact N-O 2.72Å; M49-Q101 HydrophobicContact CG-CG 4.35Å; M49-Q101 HydrophobicContact SD-CG 4.43Å; D99-Q101 PolarHBondContact O-N 2.97Å; D99-Q101 VanDerWaalsContact O-N 3.09Å; D99-Q101 WeakPolarHBondContact OD2-CB 3.13Å; D99-Q101 VanDerWaalsContact OD2-CG 3.23Å; D99-Q101 WeakPolarHBondContact OD2-CG 3.48Å; D99-Q101 PolarHBondContact OD2-NE2 3.2Å
102	D	94.1	Very high	93	Very high	37 Å²	37	44.9 Å²	44.9	20%	0.198	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-90.7	120.1	164.7	-172	-2.5	0	0	0	108.6	K42 G96 S97 S104	K42-D102 IonicContact NZ-OD2 2.63Å; K42-D102 PolarHBondContact NZ-OD2 3.21Å; G96-D102 CarbonylContact C-O 3.52Å; G96-D102 WeakPolarHBondContact CA-O 3.42Å; S97-D102 PolarHBondContact N-O 3.09Å; S97-D102 WeakPolarHBondContact OG-CB 3.44Å; S97-D102 PolarHBondContact OG-N 3.09Å; D102-S104 VanDerWaalsContact OD1-CB 3.23Å; D102-S104 WeakPolarHBondContact OD1-CB 3.28Å; D102-S104 PolarHBondContact OD1-N 3.27Å; D102-S104 VanDerWaalsContact OD1-N 3.14Å; D102-S104 PolarHBondContact OD1-OG 3.2Å
103	V	94.6	Very high	92.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.			trans	-125.3	29.8	-171.7	-157.5	0	0	0	0	110.7	C45 V60 W62 W94 L100 V122	C45-V103 CarbonylContact O-C 3.55Å; C45-V103 WeakPolarHBondContact O-CA 3.08Å; C45-V103 WeakPolarHBondContact O-CB 3.37Å; C45-V103 PolarHBondContact O-N 3.01Å; V60-V103 HydrophobicContact CB-CG1 3.71Å; V60-V103 HydrophobicContact CG1-CB 4.47Å; V60-V103 HydrophobicContact CG1-CG1 3.25Å; V60-V103 HydrophobicContact CG2-CB 4.48Å; V60-V103 HydrophobicContact CG2-CG1 3.17Å; W62-V103 PolarHBondContact NE1-O 2.97Å; W94-V103 HydrophobicContact CH2-CB 4.38Å; W94-V103 HydrophobicContact CH2-CG1 3.38Å; W94-V103 HydrophobicContact CZ2-CG1 4.27Å; W94-V103 HydrophobicContact CZ3-CG1 3.98Å; L100-V103 VanDerWaalsContact O-CG2 3.29Å; L100-V103 WeakPolarHBondContact O-CG2 3.38Å; V103-V122 HydrophobicContact CB-CG2 4.48Å; V103-V122 HydrophobicContact CG2-CG2 4.26Å
104	S	95.9	Very high	92.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.			trans	-74.6	148.9	-175.8	-57.5	0	0	0	0	112.3	L43 R44 C45 N95 G96 D102	L43-S104 VanDerWaalsContact O-CA 3.29Å; L43-S104 WeakPolarHBondContact O-CA 3.32Å; L43-S104 VanDerWaalsContact O-CB 3.27Å; L43-S104 WeakPolarHBondContact O-CB 3.33Å; R44-S104 VanDerWaalsContact CA-OG 3.27Å; R44-S104 WeakPolarHBondContact CA-OG 3.12Å; C45-S104 PolarHBondContact N-OG 3.5Å; N95-S104 CarbonylContact C-O 3.55Å; N95-S104 WeakPolarHBondContact CA-O 3.35Å; N95-S104 PolarHBondContact N-O 3.4Å; N95-S104 WeakPolarHBondContact O-CB 3.48Å; G96-S104 PolarHBondContact N-O 3.05Å; D102-S104 VanDerWaalsContact OD1-CB 3.23Å; D102-S104 WeakPolarHBondContact OD1-CB 3.28Å; D102-S104 PolarHBondContact OD1-N 3.27Å; D102-S104 VanDerWaalsContact OD1-N 3.14Å; D102-S104 PolarHBondContact OD1-OG 3.2Å
105	I	95.2	Very high	92.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.2	172.6	60.9	173.5	0	0	0	109.7	K42 L43 W62 I74 Y75 L92 Q93 W94	K42-I105 CarbonylContact C-O 3.51Å; L43-I105 HydrophobicContact CB-CG1 4.06Å; L43-I105 HydrophobicContact CD1-CD1 4.21Å; L43-I105 HydrophobicContact CD1-CG1 4.15Å; L43-I105 PolarHBondContact N-O 2.76Å; L43-I105 PolarHBondContact O-N 2.93Å; L43-I105 VanDerWaalsContact O-N 3.17Å; W62-I105 HydrophobicContact CB-CD1 4.14Å; W62-I105 HydrophobicContact CD2-CD1 3.59Å; W62-I105 HydrophobicContact CD2-CG1 4.02Å; W62-I105 HydrophobicContact CE3-CD1 4.03Å; W62-I105 HydrophobicContact CE3-CG1 4.46Å; W62-I105 HydrophobicContact CG-CD1 3.65Å; W62-I105 HydrophobicContact CG-CG1 4.42Å; W62-I105 HydrophobicContact CH2-CG1 4.37Å; W62-I105 HydrophobicContact CZ2-CD1 4.45Å; W62-I105 HydrophobicContact CZ2-CG1 3.95Å; I74-I105 HydrophobicContact CD1-CD1 4.31Å; Y75-I105 HydrophobicContact CD1-CG2 4.27Å; Y75-I105 HydrophobicContact CE1-CG2 4.4Å; L92-I105 HydrophobicContact CD2-CD1 4.38Å; Q93-I105 CarbonylContact O-C 3.57Å; Q93-I105 WeakPolarHBondContact O-CA 3.49Å; W94-I105 HydrophobicContact CE3-CG2 3.88Å; W94-I105 HydrophobicContact CZ3-CG2 4.26Å
106	T	95.1	Very high	93	Very high	14 Å²	14	42.2 Å²	42.2	9%	0.086	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.6	177.3	-52.6	0	0	0	0	109	P40 M41 Q93 N95 L108	P40-T106 HydrophobicContact CB-CG2 4.14Å; M41-T106 CarbonylContact O-C 3.53Å; M41-T106 VanDerWaalsContact O-CA 3.31Å; M41-T106 WeakPolarHBondContact O-CA 3.3Å; Q93-T106 PolarHBondContact N-O 3.46Å; Q93-T106 PolarHBondContact O-N 2.88Å; N95-T106 WeakPolarHBondContact CB-OG1 3.48Å; N95-T106 PolarHBondContact ND2-OG1 2.89Å; T106-L108 HydrophobicContact CG2-CD2 4.49Å
107	V	95	Very high	93.2	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118	172.8	-171.3	0	0	0	0	107.7	P40 M41 L43 F88 L92 V110	P40-V107 CarbonylContact C-O 3.59Å; P40-V107 VanDerWaalsContact CA-O 3.31Å; P40-V107 WeakPolarHBondContact CA-O 3.4Å; M41-V107 PolarHBondContact N-O 3.13Å; M41-V107 PolarHBondContact O-N 3.22Å; L43-V107 HydrophobicContact CD1-CG2 3.73Å; L43-V107 HydrophobicContact CG-CG2 4.15Å; F88-V107 HydrophobicContact CD1-CG1 4.35Å; L92-V107 HydrophobicContact CD2-CB 4.34Å; L92-V107 HydrophobicContact CD2-CG1 4.33Å; L92-V107 HydrophobicContact CD2-CG2 3.76Å; V107-V110 HydrophobicContact CB-CG2 4.12Å; V107-V110 HydrophobicContact CG1-CG2 4.1Å
108	L	95	Very high	93.5	Very high	43 Å²	43	41.3 Å²	41.3	23%	0.225	22%	0.215	C	C	.	.	S	Bend	trans	-83.2	145.1	177.1	-57.4	176.5	0	0	0	110.9	P40 R91 Q93 T106	P40-L108 HydrophobicContact CB-CD2 4.24Å; R91-L108 WeakPolarHBondContact O-CB 3.46Å; R91-L108 WeakPolarHBondContact O-CG 3.25Å; R91-L108 PolarHBondContact O-N 2.99Å; Q93-L108 HydrophobicContact CG-CD1 3.9Å; Q93-L108 HydrophobicContact CG-CD2 4.32Å; Q93-L108 HydrophobicContact CG-CG 4.12Å; T106-L108 HydrophobicContact CG2-CD2 4.49Å
109	N	93.3	Very high	93.9	Very high	111 Å²	111	31.6 Å²	31.6	59%	0.594	17%	0.174	S	C	*	.	S	Bend	trans	48.7	63.6	176	-61.2	-33.5	0	0	0	111.7	T111	N109-T111 PolarHBondContact O-N 2.86Å
110	V	94.3	Very high	94.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.157	C	C	.	.			trans	-63.5	134.2	-177.5	178.4	0	0	0	0	110.4	A35 Q37 G38 N39 M41 V107 D114 V145	A35-V110 HydrophobicContact CB-CG1 4.21Å; Q37-V110 CarbonylContact C-O 3.59Å; Q37-V110 WeakPolarHBondContact CA-O 3.43Å; G38-V110 PolarHBondContact N-O 3.38Å; N39-V110 WeakPolarHBondContact O-CB 3.24Å; N39-V110 VanDerWaalsContact O-CG2 3.3Å; N39-V110 WeakPolarHBondContact O-CG2 3.26Å; N39-V110 PolarHBondContact O-N 3.13Å; M41-V110 HydrophobicContact CB-CG2 3.59Å; V107-V110 HydrophobicContact CB-CG2 4.12Å; V107-V110 HydrophobicContact CG1-CG2 4.1Å; V110-D114 HydrophobicContact CG1-CB 4.34Å; V110-V145 HydrophobicContact CG1-CB 4.26Å; V110-V145 HydrophobicContact CG1-CG1 3.74Å; V110-V145 HydrophobicContact CG1-CG2 3.43Å; V110-V145 VanDerWaalsContact CG1-CG2 3.43Å
111	T	93.4	Very high	94.6	Very high	49 Å²	49	27.9 Å²	27.9	30%	0.301	15%	0.154	S	C	.	.			trans	-113.7	160.8	178.2	68.3	0	0	0	0	110.8	N109 N113 D114	N109-T111 PolarHBondContact O-N 2.86Å; T111-N113 PolarHBondContact O-N 2.88Å; T111-N113 VanDerWaalsContact O-N 3.15Å; T111-D114 WeakPolarHBondContact CB-OD2 3.48Å; T111-D114 PolarHBondContact N-OD2 3.36Å; T111-D114 WeakPolarHBondContact O-CB 3.4Å; T111-D114 PolarHBondContact O-N 3.15Å; T111-D114 VanDerWaalsContact OG1-CG 3.23Å; T111-D114 PolarHBondContact OG1-OD2 2.79Å
112	L	92.4	Very high	94.8	Very high	62 Å²	62	26.8 Å²	26.8	33%	0.325	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-57.1	-31.4	177.9	-66	172.1	0	0	0	112.9	D114 S115 V145 E147	L112-D114 PolarHBondContact O-N 2.74Å; L112-S115 WeakPolarHBondContact O-CB 3.46Å; L112-S115 PolarHBondContact O-N 3.45Å; L112-S115 PolarHBondContact O-OG 3.22Å; L112-V145 HydrophobicContact CD2-CB 4.41Å; L112-V145 HydrophobicContact CD2-CG1 4.14Å; L112-E147 HydrophobicContact CD1-CG 4.07Å; L112-E147 HydrophobicContact CD2-CG 3.99Å; L112-E147 HydrophobicContact CG-CG 4.49Å
113	N	91.3	Very high	94.9	Very high	139 Å²	139	25.7 Å²	25.7	74%	0.743	14%	0.144	S	C	*	.	G	3₁₀ helix	trans	-70.8	-17.3	178	-64.4	-24.5	0	0	0	113.4	Y64 T111 S115	Y64-N113 PolarHBondContact OH-O 3.23Å; Y64-N113 VanDerWaalsContact OH-O 3.14Å; T111-N113 PolarHBondContact O-N 2.88Å; T111-N113 VanDerWaalsContact O-N 3.15Å; N113-S115 PolarHBondContact O-N 3.29Å
114	D	93.3	Very high	94.8	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-79.5	-2.6	176.2	-57.1	-48.2	0	0	0	111.3	F88 R91 V110 T111 L112 G116 Y118	F88-D114 HydrophobicContact CE1-CB 4.03Å; F88-D114 WeakPolarHBondContact CE1-OD1 3.4Å; F88-D114 HydrophobicContact CZ-CB 4.35Å; F88-D114 WeakPolarHBondContact CZ-OD1 3.44Å; R91-D114 IonicContact CZ-OD1 3.85Å; R91-D114 IonicContact CZ-OD2 3.98Å; R91-D114 IonicContact NH1-OD1 2.88Å; R91-D114 PolarHBondContact NH1-OD1 2.91Å; R91-D114 IonicContact NH1-OD2 2.74Å; R91-D114 PolarHBondContact NH1-OD2 3.12Å; R91-D114 IonicContact NH2-OD1 3.67Å; R91-D114 PolarHBondContact NH2-OD1 2.86Å; R91-D114 IonicContact NH2-OD2 3.92Å; V110-D114 HydrophobicContact CG1-CB 4.34Å; T111-D114 WeakPolarHBondContact CB-OD2 3.48Å; T111-D114 PolarHBondContact N-OD2 3.36Å; T111-D114 WeakPolarHBondContact O-CB 3.4Å; T111-D114 PolarHBondContact O-N 3.15Å; T111-D114 VanDerWaalsContact OG1-CG 3.23Å; T111-D114 PolarHBondContact OG1-OD2 2.79Å; L112-D114 PolarHBondContact O-N 2.74Å; D114-G116 PolarHBondContact O-N 2.88Å; D114-Y118 WeakPolarHBondContact O-CE2 3.27Å; D114-Y118 PolarHBondContact O-OH 2.95Å; D114-Y118 VanDerWaalsContact O-OH 3.08Å
115	S	93.9	Very high	94.7	Very high	26 Å²	26	29.7 Å²	29.7	18%	0.182	16%	0.163	C	C	.	.			trans	-59.4	136.7	170.3	-58.4	0	0	0	0	110.7	Y64 L112 N113 L143 V145	Y64-S115 PolarHBondContact OH-O 2.94Å; L112-S115 WeakPolarHBondContact O-CB 3.46Å; L112-S115 PolarHBondContact O-N 3.45Å; L112-S115 PolarHBondContact O-OG 3.22Å; N113-S115 PolarHBondContact O-N 3.29Å; S115-L143 WeakPolarHBondContact CA-O 3.27Å; S115-V145 WeakPolarHBondContact OG-CB 3.39Å; S115-V145 PolarHBondContact OG-N 2.8Å; S115-V145 VanDerWaalsContact OG-N 3.12Å
116	G	95	Very high	94.4	Very high	7 Å²	7	31.1 Å²	31.1	7%	0.072	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156	-161.2	-177.1	0	0	0	0	0	112.8	D114 L143	D114-G116 PolarHBondContact O-N 2.88Å; G116-L143 PolarHBondContact N-O 3.23Å; G116-L143 PolarHBondContact O-N 3.46Å
117	L	96.3	Very high	94	Very high	39 Å²	39	36.2 Å²	36.2	20%	0.204	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.8	-176.8	-178.8	70.6	0	0	0	110.4	R65 L140 P142	R65-L117 HydrophobicContact CB-CB 4.21Å; R65-L117 PolarHBondContact N-O 3.25Å; R65-L117 PolarHBondContact O-N 2.97Å; L117-L140 HydrophobicContact CD1-CB 4.32Å; L117-L140 HydrophobicContact CD2-CD2 4.27Å; L117-P142 HydrophobicContact CD1-CB 4.22Å
118	Y	96.5	Very high	93.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136	174.1	-67.6	-95.8	0	0	0	109.8	L43 F63 Y64 I74 F88 D114 I141 L143	L43-Y118 HydrophobicContact CD1-CD1 3.46Å; L43-Y118 VanDerWaalsContact CD1-CD1 3.46Å; L43-Y118 HydrophobicContact CD1-CD2 4.27Å; L43-Y118 HydrophobicContact CD1-CE1 3.78Å; L43-Y118 HydrophobicContact CD1-CG 3.72Å; L43-Y118 HydrophobicContact CD2-CD2 4.41Å; L43-Y118 HydrophobicContact CD2-CG 4.47Å; F63-Y118 CarbonylContact O-C 3.56Å; F63-Y118 WeakPolarHBondContact O-CA 3.29Å; Y64-Y118 AromaticContact CD2-CD1 3.99Å; Y64-Y118 HydrophobicContact CD2-CD1 3.99Å; Y64-Y118 HydrophobicContact CD2-CD2 4.13Å; Y64-Y118 AromaticContact CD2-CE1 3.55Å; Y64-Y118 HydrophobicContact CD2-CE1 3.55Å; Y64-Y118 AromaticContact CD2-CE2 3.68Å; Y64-Y118 HydrophobicContact CD2-CE2 3.68Å; Y64-Y118 HydrophobicContact CD2-CG 4.28Å; Y64-Y118 AromaticContact CD2-CZ 3.39Å; Y64-Y118 HydrophobicContact CE2-CE1 4.38Å; Y64-Y118 AromaticContact CE2-CE2 3.88Å; Y64-Y118 HydrophobicContact CE2-CE2 3.88Å; Y64-Y118 AromaticContact CE2-CZ 3.78Å; Y64-Y118 HydrophobicContact CG-CE1 4.18Å; I74-Y118 HydrophobicContact CD1-CD1 3.88Å; I74-Y118 HydrophobicContact CD1-CE1 3.88Å; F88-Y118 HydrophobicContact CE1-CE1 4.47Å; F88-Y118 VanDerWaalsContact CE1-OH 3.28Å; F88-Y118 WeakPolarHBondContact CE1-OH 3.4Å; F88-Y118 HydrophobicContact CZ-CE1 4.43Å; F88-Y118 WeakPolarHBondContact CZ-OH 3.32Å; D114-Y118 WeakPolarHBondContact O-CE2 3.27Å; D114-Y118 PolarHBondContact O-OH 2.95Å; D114-Y118 VanDerWaalsContact O-OH 3.08Å; Y118-I141 PolarHBondContact N-O 3.08Å; Y118-I141 PolarHBondContact O-N 3.28Å; Y118-L143 HydrophobicContact CD2-CB 3.74Å; Y118-L143 HydrophobicContact CD2-CD2 4.22Å; Y118-L143 HydrophobicContact CE2-CB 3.69Å; Y118-L143 HydrophobicContact CE2-CD2 3.49Å; Y118-L143 VanDerWaalsContact CE2-CD2 3.49Å; Y118-L143 HydrophobicContact CE2-CG 4.23Å
119	T	96.8	Very high	93	Very high	10 Å²	10	48.8 Å²	48.8	6%	0.061	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.6	179.8	-52.4	0	0	0	0	109.5	W62 F63 T138 R139 L140	W62-T119 CarbonylContact C-O 3.13Å; W62-T119 WeakPolarHBondContact CA-O 3.4Å; F63-T119 PolarHBondContact N-O 2.83Å; F63-T119 PolarHBondContact O-N 2.99Å; T119-T138 HydrophobicContact CG2-CG2 3.59Å; T119-R139 CarbonylContact C-O 3.56Å; T119-R139 WeakPolarHBondContact CA-O 3.5Å; T119-L140 HydrophobicContact CG2-CD2 3.81Å; T119-L140 WeakPolarHBondContact OG1-CD2 3.28Å
120	C	96.6	Very high	92.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.6	173.4	174.8	0	0	0	0	109	C45 W62 T138 R139	C45-C120 HydrophobicContact CB-CB 3.73Å; C45-C120 WeakPolarHBondContact CB-SG 3.41Å; C45-C120 WeakPolarHBondContact SG-CB 3.37Å; C45-C120 CovalentContact SG-SG 2.04Å; C45-C120 PolarHBondContact SG-SG 2.89Å; W62-C120 HydrophobicContact CD2-CB 4.02Å; W62-C120 HydrophobicContact CE3-CB 3.9Å; W62-C120 HydrophobicContact CH2-CB 3.66Å; W62-C120 HydrophobicContact CZ2-CB 3.75Å; W62-C120 HydrophobicContact CZ3-CB 3.72Å; C120-T138 CarbonylContact O-C 3.51Å; C120-T138 WeakPolarHBondContact O-CA 3.29Å; C120-R139 HydrophobicContact CB-CB 4.25Å; C120-R139 PolarHBondContact N-O 3.06Å; C120-R139 PolarHBondContact O-N 2.79Å
121	N	96.9	Very high	92.2	Very high	16 Å²	16	54.5 Å²	54.5	9%	0.086	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112	174.3	-75.9	-25.5	0	0	0	109.3	V60 E61 F63 T138	V60-N121 WeakPolarHBondContact CA-O 3.49Å; E61-N121 HydrophobicContact CB-CB 4.25Å; E61-N121 PolarHBondContact N-O 2.8Å; E61-N121 PolarHBondContact O-N 2.82Å; F63-N121 WeakPolarHBondContact CE2-ND2 3.25Å; N121-T138 WeakPolarHBondContact OD1-CB 3.45Å; N121-T138 WeakPolarHBondContact OD1-CG2 3.32Å; N121-T138 PolarHBondContact OD1-OG1 2.93Å
122	V	96	Very high	91.9	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.7	175.4	-174	0	0	0	0	108.2	T58 V103 R124 K136 T137	T58-V122 HydrophobicContact CG2-CG1 3.87Å; V103-V122 HydrophobicContact CB-CG2 4.48Å; V103-V122 HydrophobicContact CG2-CG2 4.26Å; V122-R124 HydrophobicContact CG1-CG 4.23Å; V122-K136 CarbonylContact O-C 3.4Å; V122-K136 WeakPolarHBondContact O-CA 3.2Å; V122-T137 PolarHBondContact N-O 3.39Å; V122-T137 PolarHBondContact O-N 3.38Å
123	S	95.3	Very high	91.7	Very high	14 Å²	14	58.9 Å²	58.9	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.7	177.7	-59.2	0	0	0	0	109.1	T58 V59 V135	T58-S123 WeakPolarHBondContact CA-O 3.32Å; V59-S123 PolarHBondContact N-O 3.47Å; V59-S123 PolarHBondContact O-N 2.97Å; S123-V135 CarbonylContact C-O 3.59Å; S123-V135 WeakPolarHBondContact CA-O 3.37Å
124	R	93.3	Very high	91.7	Very high	9 Å²	9	58.5 Å²	58.5	3%	0.034	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128	179.2	-63.4	-164.9	173.6	120.9	-2.4	110.4	S47 C48 T57 T58 L100 V122 F126 F134 V135	S47-R124 VanDerWaalsContact O-CZ 3.28Å; S47-R124 PolarHBondContact O-NH1 3.28Å; S47-R124 PolarHBondContact O-NH2 3.44Å; S47-R124 PolarHBondContact OG-NH1 3.32Å; C48-R124 PolarHBondContact O-NH1 3.37Å; T57-R124 WeakPolarHBondContact O-CA 3.43Å; T58-R124 HydrophobicContact CG2-CG 4.03Å; T58-R124 PolarHBondContact OG1-NE 3.35Å; L100-R124 PolarHBondContact O-NH2 3.42Å; V122-R124 HydrophobicContact CG1-CG 4.23Å; R124-F126 HydrophobicContact CB-CE2 4.08Å; R124-F126 HydrophobicContact CB-CZ 4.33Å; R124-F134 CarbonylContact O-C 3.59Å; R124-F134 WeakPolarHBondContact O-CA 3.4Å; R124-V135 PolarHBondContact N-O 3.49Å; R124-V135 PolarHBondContact O-N 2.8Å
125	E	92.5	Very high	91.6	Very high	75 Å²	75	61.4 Å²	61.4	35%	0.35	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.6	167.6	-171	176.9	178.1	0	0	107.9	A56 T57 R132 F134	A56-E125 CarbonylContact C-O 3.56Å; A56-E125 WeakPolarHBondContact CA-O 3.42Å; T57-E125 PolarHBondContact N-O 3.5Å; T57-E125 PolarHBondContact O-N 3.4Å; E125-R132 HydrophobicContact CG-CB 4.32Å; E125-R132 IonicContact OE1-NH1 3.96Å; E125-F134 HydrophobicContact CB-CD2 4.48Å
126	F	90.6	Very high	91.7	Very high	30 Å²	30	65.4 Å²	65.4	13%	0.132	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.5	179.9	-64	-90.8	0	0	0	110.4	M49 V54 A56 R124 F128 R132 P133 V135	M49-F126 HydrophobicContact CE-CD1 4.4Å; M49-F126 HydrophobicContact CE-CE1 3.72Å; V54-F126 HydrophobicContact CB-CD1 4.46Å; V54-F126 HydrophobicContact CG1-CB 4.48Å; V54-F126 HydrophobicContact CG1-CD1 3.79Å; A56-F126 HydrophobicContact CB-CD1 3.59Å; A56-F126 HydrophobicContact CB-CE1 3.91Å; A56-F126 HydrophobicContact CB-CG 4.13Å; R124-F126 HydrophobicContact CB-CE2 4.08Å; R124-F126 HydrophobicContact CB-CZ 4.33Å; F126-F128 HydrophobicContact CB-CD2 3.85Å; F126-F128 HydrophobicContact CB-CE2 3.36Å; F126-F128 HydrophobicContact CB-CZ 3.97Å; F126-F128 HydrophobicContact CD1-CE2 4.49Å; F126-F128 HydrophobicContact CD1-CZ 4.38Å; F126-F128 AromaticContact CG-CE2 4Å; F126-F128 HydrophobicContact CG-CE2 4Å; F126-F128 HydrophobicContact CG-CZ 4.34Å; F126-F128 PolarHBondContact O-N 3.43Å; F126-R132 WeakPolarHBondContact O-CA 3.31Å; F126-P133 HydrophobicContact CB-CG 4Å; F126-P133 HydrophobicContact CD2-CG 4.21Å; F126-P133 HydrophobicContact CG-CG 4.48Å; F126-P133 PolarHBondContact N-O 2.96Å; F126-P133 VanDerWaalsContact N-O 3.1Å; F126-V135 HydrophobicContact CD2-CG2 4.32Å; F126-V135 HydrophobicContact CE2-CB 4.13Å; F126-V135 HydrophobicContact CE2-CG2 3.78Å
127	E	86.1	Confident	91.7	Very high	120 Å²	120	66.5 Å²	66.5	56%	0.561	33%	0.329	S	S	*	.			trans	-92.5	85.1	179.8	-65.1	-176.2	-167.3	0	0	110	E55 T57	E55-E127 PolarHBondContact O-N 3.41Å; E55-E127 VanDerWaalsContact O-N 3.15Å; T57-E127 PolarHBondContact OG1-OE1 2.96Å
128	F	85.6	Confident	91.7	Very high	96 Å²	96	67.7 Å²	67.7	42%	0.421	34%	0.338	S	S	.	.			trans	-101.5	150.2	167.1	-48.7	-79.8	0	0	0	111.5	V54 F126 A130 H131 P133	V54-F128 HydrophobicContact CB-CE1 4.35Å; V54-F128 HydrophobicContact CG1-CD1 4.19Å; V54-F128 HydrophobicContact CG1-CE1 3.41Å; V54-F128 VanDerWaalsContact CG1-CE1 3.41Å; V54-F128 HydrophobicContact CG1-CZ 3.61Å; V54-F128 HydrophobicContact CG2-CE1 3.94Å; V54-F128 HydrophobicContact CG2-CZ 4.37Å; F126-F128 HydrophobicContact CB-CD2 3.85Å; F126-F128 HydrophobicContact CB-CE2 3.36Å; F126-F128 HydrophobicContact CB-CZ 3.97Å; F126-F128 HydrophobicContact CD1-CE2 4.49Å; F126-F128 HydrophobicContact CD1-CZ 4.38Å; F126-F128 AromaticContact CG-CE2 4Å; F126-F128 HydrophobicContact CG-CE2 4Å; F126-F128 HydrophobicContact CG-CZ 4.34Å; F126-F128 PolarHBondContact O-N 3.43Å; F128-A130 VanDerWaalsContact C-N 3.29Å; F128-A130 PolarHBondContact O-N 3.14Å; F128-H131 VanDerWaalsContact CB-O 3.23Å; F128-H131 WeakPolarHBondContact CB-O 3.46Å; F128-H131 PolarHBondContact O-N 2.92Å; F128-P133 VanDerWaalsContact CD2-CD 3.49Å; F128-P133 HydrophobicContact CD2-CG 3.77Å; F128-P133 HydrophobicContact CE2-CG 3.57Å
129	E	83.2	Confident	91.6	Very high	213 Å²	213	72.6 Å²	72.6	100%	0.995	36%	0.356	S	S	*	.	S	Bend	trans	-56.1	-38.9	-175.9	-62.8	-177.4	168	0	0	113.7
130	A	85.6	Confident	91.6	Very high	104 Å²	104	77.4 Å²	77.4	86%	0.86	38%	0.381	S	S	*	.	S	Bend	trans	-99.8	-22.6	-174.8	0	0	0	0	0	114.1	F128	F128-A130 VanDerWaalsContact C-N 3.29Å; F128-A130 PolarHBondContact O-N 3.14Å
131	H	85.4	Confident	91.5	Very high	127 Å²	127	77.8 Å²	77.8	59%	0.588	38%	0.383	S	S	*	.			trans	-155.6	140.4	-172.6	-172.3	63.4	0	0	0	111.3	F128 P133	F128-H131 VanDerWaalsContact CB-O 3.23Å; F128-H131 WeakPolarHBondContact CB-O 3.46Å; F128-H131 PolarHBondContact O-N 2.92Å; H131-P133 WeakPolarHBondContact O-CD 3.41Å
132	R	86.3	Confident	91.5	Very high	169 Å²	169	80.6 Å²	80.6	64%	0.638	40%	0.402	S	S	*	.			trans	-111.1	86.7	174.4	-70.6	-172.9	-111	172.6	-7.5	110.1	E125 F126	E125-R132 HydrophobicContact CG-CB 4.32Å; E125-R132 IonicContact OE1-NH1 3.96Å; F126-R132 WeakPolarHBondContact O-CA 3.31Å
133	P	89.2	Confident	91.4	Very high	35 Å²	35	80.9 Å²	80.9	23%	0.227	40%	0.404	C	S	.	.			trans	-71.7	134.7	177.6	28.8	-30.2	0	0	0	109.4	F126 F128 H131	F126-P133 HydrophobicContact CB-CG 4Å; F126-P133 HydrophobicContact CD2-CG 4.21Å; F126-P133 HydrophobicContact CG-CG 4.48Å; F126-P133 PolarHBondContact N-O 2.96Å; F126-P133 VanDerWaalsContact N-O 3.1Å; F128-P133 VanDerWaalsContact CD2-CD 3.49Å; F128-P133 HydrophobicContact CD2-CG 3.77Å; F128-P133 HydrophobicContact CE2-CG 3.57Å; H131-P133 WeakPolarHBondContact O-CD 3.41Å
134	F	90.9	Very high	91.4	Very high	131 Å²	131	88.5 Å²	88.5	58%	0.575	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.7	173.7	178.1	-97.3	0	0	0	109.4	R124 E125 K136	R124-F134 CarbonylContact O-C 3.59Å; R124-F134 WeakPolarHBondContact O-CA 3.4Å; E125-F134 HydrophobicContact CB-CD2 4.48Å; F134-K136 HydrophobicContact CE1-CB 3.95Å; F134-K136 HydrophobicContact CZ-CB 4.38Å
135	V	92.4	Very high	91.5	Very high	68 Å²	68	88.6 Å²	88.6	41%	0.412	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.9	178.8	179.7	0	0	0	0	108.9	S123 R124 F126	S123-V135 CarbonylContact C-O 3.59Å; S123-V135 WeakPolarHBondContact CA-O 3.37Å; R124-V135 PolarHBondContact N-O 3.49Å; R124-V135 PolarHBondContact O-N 2.8Å; F126-V135 HydrophobicContact CD2-CG2 4.32Å; F126-V135 HydrophobicContact CE2-CB 4.13Å; F126-V135 HydrophobicContact CE2-CG2 3.78Å
136	K	94.7	Very high	91.5	Very high	110 Å²	110	87.1 Å²	87.1	48%	0.478	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.3	175.1	-177.2	171.7	-179.8	168.1	0	110.1	V122 F134	V122-K136 CarbonylContact O-C 3.4Å; V122-K136 WeakPolarHBondContact O-CA 3.2Å; F134-K136 HydrophobicContact CE1-CB 3.95Å; F134-K136 HydrophobicContact CZ-CB 4.38Å
137	T	94.6	Very high	91.5	Very high	30 Å²	30	92 Å²	92	18%	0.184	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.9	175.6	-59.5	0	0	0	0	108.8	V122 R139	V122-T137 PolarHBondContact N-O 3.39Å; V122-T137 PolarHBondContact O-N 3.38Å; T137-R139 HydrophobicContact CG2-CG 4.47Å
138	T	96.1	Very high	91.6	Very high	64 Å²	64	94 Å²	94	39%	0.393	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.2	175.6	-63	0	0	0	0	109.9	T119 C120 N121	T119-T138 HydrophobicContact CG2-CG2 3.59Å; C120-T138 CarbonylContact O-C 3.51Å; C120-T138 WeakPolarHBondContact O-CA 3.29Å; N121-T138 WeakPolarHBondContact OD1-CB 3.45Å; N121-T138 WeakPolarHBondContact OD1-CG2 3.32Å; N121-T138 PolarHBondContact OD1-OG1 2.93Å
139	R	95.7	Very high	91.4	Very high	102 Å²	102	92.5 Å²	92.5	39%	0.385	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.3	175.6	-65.6	-71.3	175.8	-124.8	7.4	109.4	E28 T119 C120 T137	E28-R139 IonicContact OE2-CZ 3.44Å; E28-R139 IonicContact OE2-NE 2.94Å; E28-R139 IonicContact OE2-NH2 3.13Å; E28-R139 PolarHBondContact OE2-NH2 2.94Å; T119-R139 CarbonylContact C-O 3.56Å; T119-R139 WeakPolarHBondContact CA-O 3.5Å; C120-R139 HydrophobicContact CB-CB 4.25Å; C120-R139 PolarHBondContact N-O 3.06Å; C120-R139 PolarHBondContact O-N 2.79Å; T137-R139 HydrophobicContact CG2-CG 4.47Å
140	L	96	Very high	91.2	Very high	111 Å²	111	85.2 Å²	85.2	58%	0.581	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.5	-179.1	-66.1	168.9	0	0	0	108.4	L117 T119	L117-L140 HydrophobicContact CD1-CB 4.32Å; L117-L140 HydrophobicContact CD2-CD2 4.27Å; T119-L140 HydrophobicContact CG2-CD2 3.81Å; T119-L140 WeakPolarHBondContact OG1-CD2 3.28Å
141	I	96.1	Very high	90.8	Very high	8 Å²	8	87.2 Å²	87.2	4%	0.041	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	99.3	-176.4	-56.4	169	0	0	0	107.4	L43 R44 W62 Y118 L143	L43-I141 HydrophobicContact CD2-CG2 4.25Å; R44-I141 WeakPolarHBondContact O-CD1 3.5Å; W62-I141 HydrophobicContact CH2-CD1 3.67Å; W62-I141 HydrophobicContact CZ3-CD1 3.83Å; Y118-I141 PolarHBondContact N-O 3.08Å; Y118-I141 PolarHBondContact O-N 3.28Å; I141-L143 PolarHBondContact O-N 3.35Å
142	P	95.5	Very high	90.4	Very high	76 Å²	76	87.8 Å²	87.8	49%	0.494	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	116.3	170.9	29.6	-30.8	0	0	0	108.5	T33 L117	T33-P142 WeakPolarHBondContact CA-O 3.39Å; T33-P142 VanDerWaalsContact CB-O 3.24Å; T33-P142 WeakPolarHBondContact CB-O 3.19Å; T33-P142 HydrophobicContact CG2-CG 4.18Å; T33-P142 WeakPolarHBondContact CG2-O 3.39Å; L117-P142 HydrophobicContact CD1-CB 4.22Å
143	L	95.3	Very high	90.2	Very high	7 Å²	7	85.7 Å²	85.7	4%	0.037	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.4	177.3	-174.1	68.4	0	0	0	109.7	T33 A35 M41 L43 S115 G116 Y118 I141 V145	T33-L143 WeakPolarHBondContact O-CA 3.29Å; A35-L143 HydrophobicContact CB-CD1 3.84Å; M41-L143 HydrophobicContact CE-CD1 3.67Å; M41-L143 HydrophobicContact CG-CD1 4.1Å; L43-L143 HydrophobicContact CD2-CD1 4.41Å; L43-L143 HydrophobicContact CD2-CD2 4.39Å; S115-L143 WeakPolarHBondContact CA-O 3.27Å; G116-L143 PolarHBondContact N-O 3.23Å; G116-L143 PolarHBondContact O-N 3.46Å; Y118-L143 HydrophobicContact CD2-CB 3.74Å; Y118-L143 HydrophobicContact CD2-CD2 4.22Å; Y118-L143 HydrophobicContact CE2-CB 3.69Å; Y118-L143 HydrophobicContact CE2-CD2 3.49Å; Y118-L143 VanDerWaalsContact CE2-CD2 3.49Å; Y118-L143 HydrophobicContact CE2-CG 4.23Å; I141-L143 PolarHBondContact O-N 3.35Å; L143-V145 HydrophobicContact CD2-CG2 4.25Å; L143-V145 HydrophobicContact CG-CG2 4.33Å
144	R	94.3	Very high	90.2	Very high	174 Å²	174	89.1 Å²	89.1	66%	0.657	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.4	169.9	-168.7	177.8	-157.9	164.4	6	109.1	T33 E34 A35	T33-R144 PolarHBondContact O-N 2.97Å; E34-R144 WeakPolarHBondContact CA-O 3.05Å; A35-R144 PolarHBondContact N-O 3.4Å
145	V	94.6	Very high	90.1	Very high	11 Å²	11	86.5 Å²	86.5	7%	0.067	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.8	176.5	-172.4	0	0	0	0	109.2	A35 Q37 V110 L112 S115 L143	A35-V145 HydrophobicContact CB-CG2 4.48Å; A35-V145 CarbonylContact O-C 3.56Å; A35-V145 VanDerWaalsContact O-CA 3.25Å; A35-V145 WeakPolarHBondContact O-CA 3.36Å; Q37-V145 HydrophobicContact CB-CG1 4.4Å; V110-V145 HydrophobicContact CG1-CB 4.26Å; V110-V145 HydrophobicContact CG1-CG1 3.74Å; V110-V145 HydrophobicContact CG1-CG2 3.43Å; V110-V145 VanDerWaalsContact CG1-CG2 3.43Å; L112-V145 HydrophobicContact CD2-CB 4.41Å; L112-V145 HydrophobicContact CD2-CG1 4.14Å; S115-V145 WeakPolarHBondContact OG-CB 3.39Å; S115-V145 PolarHBondContact OG-N 2.8Å; S115-V145 VanDerWaalsContact OG-N 3.12Å; L143-V145 HydrophobicContact CD2-CG2 4.25Å; L143-V145 HydrophobicContact CG-CG2 4.33Å
146	T	93.1	Very high	90	Very high	44 Å²	44	87 Å²	87	27%	0.27	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.7	174.2	56.6	0	0	0	0	110.1	A35 V36 Q37 E148	A35-T146 PolarHBondContact O-N 2.88Å; V36-T146 CarbonylContact C-O 3.59Å; V36-T146 WeakPolarHBondContact CA-O 3.36Å; Q37-T146 PolarHBondContact N-O 3.38Å; T146-E148 VanDerWaalsContact C-N 3.34Å; T146-E148 WeakPolarHBondContact CB-O 3.33Å; T146-E148 PolarHBondContact OG1-O 3.5Å
147	E	91.4	Very high	90	Very high	131 Å²	131	86 Å²	86	61%	0.612	47%	0.467	S	S	*	.	S	Bend	trans	-71.5	-35	175.4	-62.6	-172.4	155.8	0	0	111.2	L112	L112-E147 HydrophobicContact CD1-CG 4.07Å; L112-E147 HydrophobicContact CD2-CG 3.99Å; L112-E147 HydrophobicContact CG-CG 4.49Å
148	E	87.2	Confident	89.9	Confident	162 Å²	162	87.7 Å²	87.7	76%	0.757	48%	0.48	S	S	*	.	S	Bend	trans	-109.5	144.8	-179.3	-59.7	-176.6	166.9	0	0	110.4	T146	T146-E148 VanDerWaalsContact C-N 3.34Å; T146-E148 WeakPolarHBondContact CB-O 3.33Å; T146-E148 PolarHBondContact OG1-O 3.5Å
149	A	81.7	Confident	89.8	Confident	66 Å²	66	89.2 Å²	89.2	55%	0.545	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-72	128.3	172.3	0	0	0	0	0	109.7	V36 E151	V36-A149 HydrophobicContact CG2-CB 3.68Å; A149-E151 PolarHBondContact O-N 2.98Å
150	G	78.4	Confident	89.8	Confident	59 Å²	59	88.7 Å²	88.7	61%	0.608	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-62.6	131.8	165.3	0	0	0	0	0	109.6
151	E	78.5	Confident	89.8	Confident	146 Å²	146	88.7 Å²	88.7	68%	0.682	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-77	129.8	175.9	-67.6	-176.8	125.5	0	0	110.4	A149 F153	A149-E151 PolarHBondContact O-N 2.98Å; E151-F153 VanDerWaalsContact C-N 3.3Å; E151-F153 HydrophobicContact CB-CD1 4.42Å; E151-F153 HydrophobicContact CB-CD2 4.48Å; E151-F153 HydrophobicContact CB-CE1 3.86Å; E151-F153 HydrophobicContact CB-CE2 3.95Å; E151-F153 HydrophobicContact CB-CZ 3.61Å; E151-F153 HydrophobicContact CG-CZ 4.41Å; E151-F153 WeakPolarHBondContact O-CD2 3.4Å; E151-F153 WeakPolarHBondContact O-CE2 3.47Å; E151-F153 PolarHBondContact O-N 2.81Å; E151-F153 WeakPolarHBondContact OE2-CE1 3.5Å; E151-F153 WeakPolarHBondContact OE2-CZ 3.46Å
152	D	76	Confident	89.8	Confident	139 Å²	139	92.8 Å²	92.8	74%	0.743	51%	0.505	S	S	*	.			trans	-72.5	81.8	174.1	-77.4	-41.2	0	0	0	110.9	T154	D152-T154 PolarHBondContact O-N 3.47Å; D152-T154 VanDerWaalsContact O-N 3.13Å
153	F	83.3	Confident	89.9	Confident	125 Å²	125	95.2 Å²	95.2	55%	0.548	51%	0.505	S	S	.	.	H	α-helix	trans	-67.2	-10.6	178	-61	-67.5	0	0	0	113.8	E151 S155 V156 V157	E151-F153 VanDerWaalsContact C-N 3.3Å; E151-F153 HydrophobicContact CB-CD1 4.42Å; E151-F153 HydrophobicContact CB-CD2 4.48Å; E151-F153 HydrophobicContact CB-CE1 3.86Å; E151-F153 HydrophobicContact CB-CE2 3.95Å; E151-F153 HydrophobicContact CB-CZ 3.61Å; E151-F153 HydrophobicContact CG-CZ 4.41Å; E151-F153 WeakPolarHBondContact O-CD2 3.4Å; E151-F153 WeakPolarHBondContact O-CE2 3.47Å; E151-F153 PolarHBondContact O-N 2.81Å; E151-F153 WeakPolarHBondContact OE2-CE1 3.5Å; E151-F153 WeakPolarHBondContact OE2-CZ 3.46Å; F153-S155 PolarHBondContact O-N 2.75Å; F153-V156 PolarHBondContact O-N 3.09Å; F153-V157 HydrophobicContact CB-CG2 4.48Å; F153-V157 WeakPolarHBondContact O-CB 3.01Å; F153-V157 WeakPolarHBondContact O-CG2 3.23Å; F153-V157 PolarHBondContact O-N 3.44Å
154	T	87.5	Confident	90	Very high	107 Å²	107	100 Å²	100	66%	0.656	53%	0.53	S	S	*	.	H	α-helix	trans	-58.5	-44.5	-175.8	58.1	0	0	0	0	112.4	D152 V157 S158	D152-T154 PolarHBondContact O-N 3.47Å; D152-T154 VanDerWaalsContact O-N 3.13Å; T154-V157 PolarHBondContact O-N 2.87Å; T154-S158 PolarHBondContact O-N 3.29Å
155	S	90	Very high	90.1	Very high	77 Å²	77	96 Å²	96	54%	0.538	52%	0.521	S	S	.	.	H	α-helix	trans	-61.4	-51.8	178	-173.3	0	0	0	0	111.1	F153 V157 S158 E159	F153-S155 PolarHBondContact O-N 2.75Å; S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 3.24Å; S155-S158 PolarHBondContact O-N 2.77Å; S155-S158 PolarHBondContact O-OG 3.22Å; S155-E159 PolarHBondContact O-N 3.17Å; S155-E159 VanDerWaalsContact O-N 3.09Å
156	V	90.8	Very high	90.3	Very high	78 Å²	78	99.9 Å²	99.9	47%	0.473	54%	0.541	S	S	.	.	H	α-helix	trans	-59.7	-44.1	179.8	-178.7	0	0	0	0	111.2	F153 S158 E159 I160	F153-V156 PolarHBondContact O-N 3.09Å; V156-S158 PolarHBondContact O-N 3.43Å; V156-E159 PolarHBondContact O-N 2.92Å; V156-I160 HydrophobicContact CG1-CD1 3.86Å; V156-I160 VanDerWaalsContact O-CG1 3.32Å; V156-I160 WeakPolarHBondContact O-CG1 3.42Å; V156-I160 PolarHBondContact O-N 3.44Å
157	V	93.3	Very high	90.5	Very high	89 Å²	89	101.8 Å²	101.8	54%	0.539	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-43	178.1	170.6	0	0	0	0	111.1	F153 T154 S155 E159 I160 M161	F153-V157 HydrophobicContact CB-CG2 4.48Å; F153-V157 WeakPolarHBondContact O-CB 3.01Å; F153-V157 WeakPolarHBondContact O-CG2 3.23Å; F153-V157 PolarHBondContact O-N 3.44Å; T154-V157 PolarHBondContact O-N 2.87Å; S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 3.24Å; V157-E159 VanDerWaalsContact C-N 3.33Å; V157-E159 PolarHBondContact O-N 2.89Å; V157-I160 PolarHBondContact O-N 3.42Å; V157-M161 WeakPolarHBondContact O-CB 3Å; V157-M161 PolarHBondContact O-N 3.05Å
158	S	94.1	Very high	90.8	Very high	65 Å²	65	101.6 Å²	101.6	46%	0.455	55%	0.55	S	S	.	.	H	α-helix	trans	-63.6	-38	179	74.1	0	0	0	0	113	T154 S155 V156 M161 M162	T154-S158 PolarHBondContact O-N 3.29Å; S155-S158 PolarHBondContact O-N 2.77Å; S155-S158 PolarHBondContact O-OG 3.22Å; V156-S158 PolarHBondContact O-N 3.43Å; S158-M161 PolarHBondContact O-N 2.86Å; S158-M162 PolarHBondContact O-N 3.49Å
159	E	94.1	Very high	91.3	Very high	97 Å²	97	98.4 Å²	98.4	45%	0.453	54%	0.538	S	S	.	.	H	α-helix	trans	-66.9	-48.2	177.1	178	175	-177.7	0	0	110.9	S155 V156 V157 M161 M162 Y163	S155-E159 PolarHBondContact O-N 3.17Å; S155-E159 VanDerWaalsContact O-N 3.09Å; V156-E159 PolarHBondContact O-N 2.92Å; V157-E159 VanDerWaalsContact C-N 3.33Å; V157-E159 PolarHBondContact O-N 2.89Å; E159-M161 VanDerWaalsContact C-N 3.31Å; E159-M161 PolarHBondContact O-N 3.44Å; E159-M162 WeakPolarHBondContact O-CB 3.42Å; E159-M162 PolarHBondContact O-N 3.35Å; E159-Y163 HydrophobicContact CG-CD2 3.94Å; E159-Y163 HydrophobicContact CG-CE2 3.49Å; E159-Y163 VanDerWaalsContact CG-CE2 3.49Å; E159-Y163 WeakPolarHBondContact O-CD2 3.49Å; E159-Y163 PolarHBondContact O-N 3.49Å; E159-Y163 VanDerWaalsContact O-N 3.09Å
160	I	95.9	Very high	92.1	Very high	91 Å²	91	98.8 Å²	98.8	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-58.6	-44.6	175.5	-67.3	168.7	0	0	0	110.7	V156 V157 M162 Y163 I164	V156-I160 HydrophobicContact CG1-CD1 3.86Å; V156-I160 VanDerWaalsContact O-CG1 3.32Å; V156-I160 WeakPolarHBondContact O-CG1 3.42Å; V156-I160 PolarHBondContact O-N 3.44Å; V157-I160 PolarHBondContact O-N 3.42Å; I160-M162 VanDerWaalsContact C-N 3.33Å; I160-M162 PolarHBondContact O-N 3Å; I160-Y163 PolarHBondContact O-N 2.9Å; I160-I164 HydrophobicContact CG2-CD1 3.77Å; I160-I164 HydrophobicContact CG2-CG1 4.36Å; I160-I164 WeakPolarHBondContact O-CG1 3.39Å; I160-I164 PolarHBondContact O-N 3.35Å
161	M	95.4	Very high	93	Very high	111 Å²	111	100.5 Å²	100.5	55%	0.547	53%	0.528	S	S	.	.	H	α-helix	trans	-61.8	-39.9	179.1	-168.3	-177.4	69	0	0	111.9	V157 S158 E159 I164 L165	V157-M161 WeakPolarHBondContact O-CB 3Å; V157-M161 PolarHBondContact O-N 3.05Å; S158-M161 PolarHBondContact O-N 2.86Å; E159-M161 VanDerWaalsContact C-N 3.31Å; E159-M161 PolarHBondContact O-N 3.44Å; M161-I164 PolarHBondContact O-N 2.84Å; M161-L165 VanDerWaalsContact O-CG 3.31Å; M161-L165 WeakPolarHBondContact O-CG 3.39Å; M161-L165 PolarHBondContact O-N 3.19Å
162	M	96	Very high	93.9	Very high	94 Å²	94	100.2 Å²	100.2	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-60	-47.9	173.7	-179.7	-168.2	66.6	0	0	111.4	S158 E159 I160 I164 L165 L166	S158-M162 PolarHBondContact O-N 3.49Å; E159-M162 WeakPolarHBondContact O-CB 3.42Å; E159-M162 PolarHBondContact O-N 3.35Å; I160-M162 VanDerWaalsContact C-N 3.33Å; I160-M162 PolarHBondContact O-N 3Å; M162-I164 PolarHBondContact O-N 3.17Å; M162-L165 PolarHBondContact O-N 3.08Å; M162-L166 HydrophobicContact CG-CD1 4.29Å; M162-L166 WeakPolarHBondContact O-CG 3.35Å; M162-L166 PolarHBondContact O-N 3.41Å
163	Y	96.4	Very high	94.9	Very high	126 Å²	126	99.1 Å²	99.1	49%	0.494	51%	0.514	S	S	.	.	H	α-helix	trans	-61.4	-42.6	178	-74.9	-65.2	0	0	0	112.7	E159 I160 L165 L166 V167	E159-Y163 HydrophobicContact CG-CD2 3.94Å; E159-Y163 HydrophobicContact CG-CE2 3.49Å; E159-Y163 VanDerWaalsContact CG-CE2 3.49Å; E159-Y163 WeakPolarHBondContact O-CD2 3.49Å; E159-Y163 PolarHBondContact O-N 3.49Å; E159-Y163 VanDerWaalsContact O-N 3.09Å; I160-Y163 PolarHBondContact O-N 2.9Å; Y163-L165 VanDerWaalsContact C-N 3.33Å; Y163-L165 PolarHBondContact O-N 2.9Å; Y163-L166 PolarHBondContact O-N 2.87Å; Y163-V167 WeakPolarHBondContact O-CG2 3.46Å; Y163-V167 PolarHBondContact O-N 3.29Å
164	I	97.7	Very high	95.6	Very high	107 Å²	107	97.2 Å²	97.2	55%	0.549	51%	0.509	S	S	.	.	H	α-helix	trans	-59.5	-45.4	176.6	-68.6	168.8	0	0	0	110.5	I160 M161 M162 L166 V167 F168	I160-I164 HydrophobicContact CG2-CD1 3.77Å; I160-I164 HydrophobicContact CG2-CG1 4.36Å; I160-I164 WeakPolarHBondContact O-CG1 3.39Å; I160-I164 PolarHBondContact O-N 3.35Å; M161-I164 PolarHBondContact O-N 2.84Å; M162-I164 PolarHBondContact O-N 3.17Å; I164-L166 PolarHBondContact O-N 2.97Å; I164-V167 PolarHBondContact O-N 3.01Å; I164-F168 WeakPolarHBondContact O-CB 3.32Å; I164-F168 PolarHBondContact O-N 3.12Å
165	L	97.5	Very high	96	Very high	92 Å²	92	97.1 Å²	97.1	48%	0.482	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-41.1	177.3	-70	172.8	0	0	0	111.9	M161 M162 Y163 F168 L169	M161-L165 VanDerWaalsContact O-CG 3.31Å; M161-L165 WeakPolarHBondContact O-CG 3.39Å; M161-L165 PolarHBondContact O-N 3.19Å; M162-L165 PolarHBondContact O-N 3.08Å; Y163-L165 VanDerWaalsContact C-N 3.33Å; Y163-L165 PolarHBondContact O-N 2.9Å; L165-F168 PolarHBondContact O-N 3.43Å; L165-L169 WeakPolarHBondContact O-CB 3.43Å; L165-L169 WeakPolarHBondContact O-CG 3.21Å; L165-L169 PolarHBondContact O-N 2.83Å
166	L	97.3	Very high	96.4	Very high	91 Å²	91	97.1 Å²	97.1	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-46.8	176.1	-70.5	173.2	0	0	0	112.1	M162 Y163 I164 F168 L169 T170	M162-L166 HydrophobicContact CG-CD1 4.29Å; M162-L166 WeakPolarHBondContact O-CG 3.35Å; M162-L166 PolarHBondContact O-N 3.41Å; Y163-L166 PolarHBondContact O-N 2.87Å; I164-L166 PolarHBondContact O-N 2.97Å; L166-F168 PolarHBondContact O-N 2.51Å; L166-L169 PolarHBondContact O-N 2.85Å; L166-T170 WeakPolarHBondContact O-CB 3.25Å; L166-T170 WeakPolarHBondContact O-CG2 3.34Å; L166-T170 PolarHBondContact O-N 2.87Å; L166-T170 PolarHBondContact O-OG1 2.79Å
167	V	97.9	Very high	96.6	Very high	85 Å²	85	98.8 Å²	98.8	52%	0.515	50%	0.499	S	S	.	.	H	α-helix	trans	-63.1	-43.2	177.8	174	0	0	0	0	110.9	Y163 I164 T170 L171	Y163-V167 WeakPolarHBondContact O-CG2 3.46Å; Y163-V167 PolarHBondContact O-N 3.29Å; I164-V167 PolarHBondContact O-N 3.01Å; V167-T170 WeakPolarHBondContact CA-OG1 3.35Å; V167-T170 PolarHBondContact O-OG1 2.97Å; V167-L171 HydrophobicContact CG1-CD1 4.03Å; V167-L171 HydrophobicContact CG1-CG 4.5Å; V167-L171 WeakPolarHBondContact O-CB 3.2Å; V167-L171 VanDerWaalsContact O-CG 3.29Å; V167-L171 WeakPolarHBondContact O-CG 3.46Å; V167-L171 PolarHBondContact O-N 2.48Å
168	F	97.9	Very high	96.8	Very high	126 Å²	126	98.1 Å²	98.1	55%	0.553	49%	0.492	S	S	*	.	H	α-helix	trans	-64.1	-47.8	178.4	-178.1	-97	0	0	0	112.3	I164 L165 L166 T170 L171 W172	I164-F168 WeakPolarHBondContact O-CB 3.32Å; I164-F168 PolarHBondContact O-N 3.12Å; L165-F168 PolarHBondContact O-N 3.43Å; L166-F168 PolarHBondContact O-N 2.51Å; F168-T170 PolarHBondContact O-N 3.18Å; F168-L171 PolarHBondContact O-N 3.27Å; F168-W172 WeakPolarHBondContact O-CB 3.4Å; F168-W172 PolarHBondContact O-N 3.14Å
169	L	97.6	Very high	96.9	Very high	96 Å²	96	101.8 Å²	101.8	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-38	179.7	-69.6	175.1	0	0	0	112.1	L165 L166 W172 L173	L165-L169 WeakPolarHBondContact O-CB 3.43Å; L165-L169 WeakPolarHBondContact O-CG 3.21Å; L165-L169 PolarHBondContact O-N 2.83Å; L166-L169 PolarHBondContact O-N 2.85Å; L169-W172 PolarHBondContact O-N 3.19Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.28Å; L169-L173 WeakPolarHBondContact O-CG 3.01Å; L169-L173 PolarHBondContact O-N 2.86Å
170	T	97.7	Very high	96.9	Very high	74 Å²	74	100.3 Å²	100.3	45%	0.454	50%	0.497	S	S	.	.	H	α-helix	trans	-66.4	-44.4	176	50.1	0	0	0	0	111.8	L166 V167 F168 W172 L173 L174	L166-T170 WeakPolarHBondContact O-CB 3.25Å; L166-T170 WeakPolarHBondContact O-CG2 3.34Å; L166-T170 PolarHBondContact O-N 2.87Å; L166-T170 PolarHBondContact O-OG1 2.79Å; V167-T170 WeakPolarHBondContact CA-OG1 3.35Å; V167-T170 PolarHBondContact O-OG1 2.97Å; F168-T170 PolarHBondContact O-N 3.18Å; T170-W172 VanDerWaalsContact C-N 3.34Å; T170-W172 PolarHBondContact O-N 3.33Å; T170-L173 PolarHBondContact O-N 3.36Å; T170-L174 WeakPolarHBondContact O-CB 3.29Å; T170-L174 VanDerWaalsContact O-CG 3.29Å; T170-L174 WeakPolarHBondContact O-CG 3.36Å; T170-L174 PolarHBondContact O-N 3.09Å
171	L	97.6	Very high	96.9	Very high	95 Å²	95	104 Å²	104	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-42.1	173.9	-72	175	0	0	0	111.9	V167 F168 L174 I175	V167-L171 HydrophobicContact CG1-CD1 4.03Å; V167-L171 HydrophobicContact CG1-CG 4.5Å; V167-L171 WeakPolarHBondContact O-CB 3.2Å; V167-L171 VanDerWaalsContact O-CG 3.29Å; V167-L171 WeakPolarHBondContact O-CG 3.46Å; V167-L171 PolarHBondContact O-N 2.48Å; F168-L171 PolarHBondContact O-N 3.27Å; L171-L174 PolarHBondContact O-N 2.98Å; L171-I175 VanDerWaalsContact O-CG1 3.25Å; L171-I175 WeakPolarHBondContact O-CG1 2.87Å; L171-I175 PolarHBondContact O-N 3.23Å
172	W	97.5	Very high	96.9	Very high	139 Å²	139	106.6 Å²	106.6	53%	0.527	51%	0.509	S	S	.	.	H	α-helix	trans	-58.6	-49	174.7	-178.6	-86.2	0	0	0	112	F168 L169 T170 L174 I175 E176	F168-W172 WeakPolarHBondContact O-CB 3.4Å; F168-W172 PolarHBondContact O-N 3.14Å; L169-W172 PolarHBondContact O-N 3.19Å; T170-W172 VanDerWaalsContact C-N 3.34Å; T170-W172 PolarHBondContact O-N 3.33Å; W172-L174 VanDerWaalsContact C-N 3.33Å; W172-L174 PolarHBondContact O-N 3.27Å; W172-I175 PolarHBondContact O-N 3.48Å; W172-E176 PolarHBondContact O-N 3.34Å
173	L	97.3	Very high	96.8	Very high	117 Å²	117	108.7 Å²	108.7	61%	0.613	52%	0.516	S	S	*	.	H	α-helix	trans	-63.7	-37.3	177.3	-70.7	175.3	0	0	0	112.5	L169 T170 E176 M177	L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.28Å; L169-L173 WeakPolarHBondContact O-CG 3.01Å; L169-L173 PolarHBondContact O-N 2.86Å; T170-L173 PolarHBondContact O-N 3.36Å; L173-E176 PolarHBondContact O-N 3.37Å; L173-M177 VanDerWaalsContact O-CB 3.26Å; L173-M177 WeakPolarHBondContact O-CB 3.44Å; L173-M177 PolarHBondContact O-N 3.15Å
174	L	97.4	Very high	96.6	Very high	85 Å²	85	107 Å²	107	45%	0.445	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-41.1	174.4	-74.8	172.2	0	0	0	111.5	T170 L171 W172 M177 I178	T170-L174 WeakPolarHBondContact O-CB 3.29Å; T170-L174 VanDerWaalsContact O-CG 3.29Å; T170-L174 WeakPolarHBondContact O-CG 3.36Å; T170-L174 PolarHBondContact O-N 3.09Å; L171-L174 PolarHBondContact O-N 2.98Å; W172-L174 VanDerWaalsContact C-N 3.33Å; W172-L174 PolarHBondContact O-N 3.27Å; L174-M177 HydrophobicContact CD2-CE 4.09Å; L174-M177 PolarHBondContact O-N 2.92Å; L174-I178 WeakPolarHBondContact O-CB 3.23Å; L174-I178 WeakPolarHBondContact O-CD1 3.37Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.49Å
175	I	97.7	Very high	96.4	Very high	105 Å²	105	103.7 Å²	103.7	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-62.7	-47.8	175.4	-69.4	163.9	0	0	0	110.3	L171 W172 M177 I178 Y179	L171-I175 VanDerWaalsContact O-CG1 3.25Å; L171-I175 WeakPolarHBondContact O-CG1 2.87Å; L171-I175 PolarHBondContact O-N 3.23Å; W172-I175 PolarHBondContact O-N 3.48Å; I175-M177 VanDerWaalsContact C-N 3.32Å; I175-M177 PolarHBondContact O-N 3.46Å; I175-I178 PolarHBondContact O-N 2.88Å; I175-Y179 VanDerWaalsContact O-CB 3.31Å; I175-Y179 WeakPolarHBondContact O-CB 2.97Å; I175-Y179 PolarHBondContact O-N 3.1Å
176	E	96.7	Very high	96.2	Very high	77 Å²	77	106.4 Å²	106.4	36%	0.36	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-39.5	176.4	-75.8	-61.1	147.1	0	0	112.3	W172 L173 Y179 C180	W172-E176 PolarHBondContact O-N 3.34Å; L173-E176 PolarHBondContact O-N 3.37Å; E176-Y179 PolarHBondContact O-N 2.92Å; E176-C180 VanDerWaalsContact O-CB 3.3Å; E176-C180 WeakPolarHBondContact O-CB 3.36Å; E176-C180 PolarHBondContact O-N 2.95Å; E176-C180 PolarHBondContact O-SG 2.83Å
177	M	96.3	Very high	95.8	Very high	112 Å²	112	105 Å²	105	55%	0.552	51%	0.514	S	S	*	.	H	α-helix	trans	-64	-45.7	175.6	-177.3	-155.3	66.6	0	0	111.3	L173 L174 I175 Y179 C180 Y181	L173-M177 VanDerWaalsContact O-CB 3.26Å; L173-M177 WeakPolarHBondContact O-CB 3.44Å; L173-M177 PolarHBondContact O-N 3.15Å; L174-M177 HydrophobicContact CD2-CE 4.09Å; L174-M177 PolarHBondContact O-N 2.92Å; I175-M177 VanDerWaalsContact C-N 3.32Å; I175-M177 PolarHBondContact O-N 3.46Å; M177-Y179 VanDerWaalsContact C-N 3.33Å; M177-Y179 PolarHBondContact O-N 2.59Å; M177-C180 PolarHBondContact O-N 3.49Å; M177-Y181 VanDerWaalsContact O-CB 3.26Å; M177-Y181 WeakPolarHBondContact O-CB 3.42Å; M177-Y181 PolarHBondContact O-N 2.88Å
178	I	96.8	Very high	95.5	Very high	76 Å²	76	107.6 Å²	107.6	39%	0.39	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-41.1	176.7	-68.7	163.9	0	0	0	110.6	L174 I175 Y181 R182	L174-I178 WeakPolarHBondContact O-CB 3.23Å; L174-I178 WeakPolarHBondContact O-CD1 3.37Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.49Å; I175-I178 PolarHBondContact O-N 2.88Å; I178-Y181 PolarHBondContact O-N 3.44Å; I178-R182 WeakPolarHBondContact O-CB 3.46Å; I178-R182 WeakPolarHBondContact O-CG 3.47Å; I178-R182 PolarHBondContact O-N 3.11Å
179	Y	96.1	Very high	95	Very high	141 Å²	141	107.6 Å²	107.6	55%	0.553	52%	0.522	S	S	*	.	H	α-helix	trans	-63.4	-48.7	177.1	176.4	-103.5	0	0	0	111.6	I175 E176 M177 Y181 R182 K183	I175-Y179 VanDerWaalsContact O-CB 3.31Å; I175-Y179 WeakPolarHBondContact O-CB 2.97Å; I175-Y179 PolarHBondContact O-N 3.1Å; E176-Y179 PolarHBondContact O-N 2.92Å; M177-Y179 VanDerWaalsContact C-N 3.33Å; M177-Y179 PolarHBondContact O-N 2.59Å; Y179-Y181 PolarHBondContact O-N 2.85Å; Y179-R182 PolarHBondContact O-N 3Å; Y179-K183 WeakPolarHBondContact O-CB 3.2Å; Y179-K183 PolarHBondContact O-N 2.74Å
180	C	94.8	Very high	94.4	Very high	67 Å²	67	105 Å²	105	45%	0.453	51%	0.514	S	S	.	.	H	α-helix	trans	-59.2	-45.6	174.7	-72.8	0	0	0	0	111.7	E176 M177 R182 K183 V184	E176-C180 VanDerWaalsContact O-CB 3.3Å; E176-C180 WeakPolarHBondContact O-CB 3.36Å; E176-C180 PolarHBondContact O-N 2.95Å; E176-C180 PolarHBondContact O-SG 2.83Å; M177-C180 PolarHBondContact O-N 3.49Å; C180-R182 PolarHBondContact O-N 2.81Å; C180-K183 PolarHBondContact O-N 2.8Å; C180-V184 WeakPolarHBondContact O-CG2 3.38Å; C180-V184 PolarHBondContact O-N 2.85Å
181	Y	95.2	Very high	93.8	Very high	168 Å²	168	104.2 Å²	104.2	66%	0.659	52%	0.516	S	S	*	.	H	α-helix	trans	-59.1	-49.3	178.4	179.3	-99.6	0	0	0	111.7	M177 I178 Y179 K183 V184 S185	M177-Y181 VanDerWaalsContact O-CB 3.26Å; M177-Y181 WeakPolarHBondContact O-CB 3.42Å; M177-Y181 PolarHBondContact O-N 2.88Å; I178-Y181 PolarHBondContact O-N 3.44Å; Y179-Y181 PolarHBondContact O-N 2.85Å; Y181-K183 VanDerWaalsContact C-N 3.27Å; Y181-K183 PolarHBondContact O-N 2.83Å; Y181-V184 PolarHBondContact O-N 2.83Å; Y181-S185 PolarHBondContact O-N 2.84Å; Y181-S185 PolarHBondContact O-OG 2.85Å
182	R	94.7	Very high	93.2	Very high	165 Å²	165	106.4 Å²	106.4	62%	0.623	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-32.4	176.9	-77	178.5	168.7	172.1	-1.5	113.3	I178 Y179 C180 S185 K186	I178-R182 WeakPolarHBondContact O-CB 3.46Å; I178-R182 WeakPolarHBondContact O-CG 3.47Å; I178-R182 PolarHBondContact O-N 3.11Å; Y179-R182 PolarHBondContact O-N 3Å; C180-R182 PolarHBondContact O-N 2.81Å; R182-S185 PolarHBondContact O-OG 3.13Å; R182-S185 VanDerWaalsContact O-OG 3.08Å; R182-K186 WeakPolarHBondContact O-CG 3.49Å; R182-K186 PolarHBondContact O-N 2.92Å
183	K	94.6	Very high	92.6	Very high	139 Å²	139	106 Å²	106	60%	0.604	53%	0.527	S	S	*	.	H	α-helix	trans	-71.4	-43.1	177.6	-174.8	179.2	177.7	-176.7	0	111.1	Y179 C180 Y181 A187	Y179-K183 WeakPolarHBondContact O-CB 3.2Å; Y179-K183 PolarHBondContact O-N 2.74Å; C180-K183 PolarHBondContact O-N 2.8Å; Y181-K183 VanDerWaalsContact C-N 3.27Å; Y181-K183 PolarHBondContact O-N 2.83Å; K183-A187 PolarHBondContact O-N 2.04Å
184	V	92.4	Very high	92	Very high	91 Å²	91	104.8 Å²	104.8	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-68.6	-43.3	178.5	173.5	0	0	0	0	111.1	C180 Y181 K186 A187 E188	C180-V184 WeakPolarHBondContact O-CG2 3.38Å; C180-V184 PolarHBondContact O-N 2.85Å; Y181-V184 PolarHBondContact O-N 2.83Å; V184-K186 VanDerWaalsContact C-N 3.28Å; V184-K186 PolarHBondContact O-N 2.72Å; V184-A187 WeakPolarHBondContact O-CA 3.21Å; V184-A187 WeakPolarHBondContact O-CB 3.39Å; V184-A187 PolarHBondContact O-N 2.03Å; V184-E188 PolarHBondContact O-N 2.63Å
185	S	92.9	Very high	91.2	Very high	36 Å²	36	103 Å²	103	25%	0.252	52%	0.519	S	S	.	.	H	α-helix	trans	-57.2	-42.6	179.5	70.3	0	0	0	0	111.9	Y181 R182 A187 E188 E189	Y181-S185 PolarHBondContact O-N 2.84Å; Y181-S185 PolarHBondContact O-OG 2.85Å; R182-S185 PolarHBondContact O-OG 3.13Å; R182-S185 VanDerWaalsContact O-OG 3.08Å; S185-A187 VanDerWaalsContact C-N 3.34Å; S185-A187 PolarHBondContact O-N 3.11Å; S185-E188 PolarHBondContact O-N 2.92Å; S185-E189 WeakPolarHBondContact O-CG 3.4Å; S185-E189 PolarHBondContact O-N 2.77Å; S185-E189 VanDerWaalsContact O-N 3.13Å
186	K	92.8	Very high	90.4	Very high	150 Å²	150	100.9 Å²	100.9	65%	0.652	51%	0.514	S	S	*	.	H	α-helix	trans	-66.2	-33.3	175.1	-71	178.6	178.6	-175.6	0	113.3	R182 V184 A190	R182-K186 WeakPolarHBondContact O-CG 3.49Å; R182-K186 PolarHBondContact O-N 2.92Å; V184-K186 VanDerWaalsContact C-N 3.28Å; V184-K186 PolarHBondContact O-N 2.72Å; K186-A190 WeakPolarHBondContact O-CB 3.49Å; K186-A190 PolarHBondContact O-N 2.72Å
187	A	90.6	Very high	89.7	Confident	60 Å²	60	102.2 Å²	102.2	50%	0.496	52%	0.523	S	S	.	.	H	α-helix	trans	-73.4	-35	178	0	0	0	0	0	112	K183 V184 S185 A191	K183-A187 PolarHBondContact O-N 2.04Å; V184-A187 WeakPolarHBondContact O-CA 3.21Å; V184-A187 WeakPolarHBondContact O-CB 3.39Å; V184-A187 PolarHBondContact O-N 2.03Å; S185-A187 VanDerWaalsContact C-N 3.34Å; S185-A187 PolarHBondContact O-N 3.11Å; A187-A191 WeakPolarHBondContact O-CB 3.45Å; A187-A191 PolarHBondContact O-N 3.49Å
188	E	90.5	Very high	88.4	Confident	140 Å²	140	105.6 Å²	105.6	65%	0.654	53%	0.531	S	S	*	.	H	α-helix	trans	-68.4	-43.5	176	-172.8	170.1	-163.1	0	0	111.7	V184 S185 A190 A191 Q192	V184-E188 PolarHBondContact O-N 2.63Å; S185-E188 PolarHBondContact O-N 2.92Å; E188-A190 PolarHBondContact O-N 2.67Å; E188-A191 PolarHBondContact O-N 3.09Å; E188-Q192 PolarHBondContact O-N 3.47Å
189	E	87.9	Confident	87.3	Confident	127 Å²	127	109.5 Å²	109.5	59%	0.593	55%	0.552	S	S	*	*	H	α-helix	trans	-56.2	-50.2	171.7	-72.2	172.9	170.2	0	0	111.4	S185 A191 Q192 E193	S185-E189 WeakPolarHBondContact O-CG 3.4Å; S185-E189 PolarHBondContact O-N 2.77Å; S185-E189 VanDerWaalsContact O-N 3.13Å; E189-A191 VanDerWaalsContact C-N 3.32Å; E189-A191 PolarHBondContact O-N 2.88Å; E189-Q192 PolarHBondContact O-N 2.81Å; E189-E193 PolarHBondContact O-N 3.06Å; E189-E193 VanDerWaalsContact O-N 3.08Å
190	A	85.4	Confident	86	Confident	41 Å²	41	105.9 Å²	105.9	34%	0.339	55%	0.551	S	S	.	*	H	α-helix	trans	-64.3	-33	177.8	0	0	0	0	0	113.2	K186 E188 N194	K186-A190 WeakPolarHBondContact O-CB 3.49Å; K186-A190 PolarHBondContact O-N 2.72Å; E188-A190 PolarHBondContact O-N 2.67Å; A190-N194 WeakPolarHBondContact O-CB 3.35Å; A190-N194 PolarHBondContact O-N 2.82Å; A190-N194 VanDerWaalsContact O-N 3.08Å; A190-N194 PolarHBondContact O-ND2 3.01Å
191	A	83.7	Confident	84.3	Confident	58 Å²	58	108.6 Å²	108.6	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-69.5	-37.8	175.9	0	0	0	0	0	112	A187 E188 E189 N194 A195	A187-A191 WeakPolarHBondContact O-CB 3.45Å; A187-A191 PolarHBondContact O-N 3.49Å; E188-A191 PolarHBondContact O-N 3.09Å; E189-A191 VanDerWaalsContact C-N 3.32Å; E189-A191 PolarHBondContact O-N 2.88Å; A191-N194 PolarHBondContact O-N 3.49Å; A191-A195 WeakPolarHBondContact O-CB 3.2Å; A191-A195 PolarHBondContact O-N 2.98Å
192	Q	86.5	Confident	82.8	Confident	141 Å²	141	104 Å²	104	66%	0.659	55%	0.551	S	S	*	*	H	α-helix	trans	-66.3	-43	176.5	-175.1	65	16.4	0	0	111.7	E188 E189 A195 S196	E188-Q192 PolarHBondContact O-N 3.47Å; E189-Q192 PolarHBondContact O-N 2.81Å; Q192-A195 PolarHBondContact O-N 2.83Å; Q192-S196 PolarHBondContact O-N 2.81Å
193	E	84.8	Confident	81.1	Confident	130 Å²	130	101.9 Å²	101.9	61%	0.607	56%	0.561	S	S	*	*	H	α-helix	trans	-59.8	-50.2	173.6	-70.5	178.8	170.1	0	0	110.9	E189 A195 S196 D197	E189-E193 PolarHBondContact O-N 3.06Å; E189-E193 VanDerWaalsContact O-N 3.08Å; E193-A195 PolarHBondContact O-N 2.81Å; E193-S196 PolarHBondContact O-N 3.44Å; E193-S196 VanDerWaalsContact O-N 3.11Å; E193-S196 PolarHBondContact O-OG 3.25Å; E193-D197 PolarHBondContact O-N 2.9Å
194	N	83.6	Confident	79.4	Confident	91 Å²	91	102.3 Å²	102.3	49%	0.487	57%	0.565	S	S	.	*	H	α-helix	trans	-60.6	-41.5	177.8	-70.1	-21.2	0	0	0	112.8	A190 A191 S196 D197 Y198	A190-N194 WeakPolarHBondContact O-CB 3.35Å; A190-N194 PolarHBondContact O-N 2.82Å; A190-N194 VanDerWaalsContact O-N 3.08Å; A190-N194 PolarHBondContact O-ND2 3.01Å; A191-N194 PolarHBondContact O-N 3.49Å; N194-S196 VanDerWaalsContact C-N 3.28Å; N194-S196 PolarHBondContact O-N 3.17Å; N194-D197 PolarHBondContact O-N 3.4Å; N194-Y198 WeakPolarHBondContact O-CD2 3.33Å; N194-Y198 PolarHBondContact O-N 3.18Å; N194-Y198 VanDerWaalsContact O-N 3.13Å
195	A	81.6	Confident	77.3	Confident	47 Å²	47	106.2 Å²	106.2	39%	0.388	58%	0.583	S	S	.	*	H	α-helix	trans	-62.8	-36.8	176.6	0	0	0	0	0	111.8	A191 Q192 E193 Y198 L199	A191-A195 WeakPolarHBondContact O-CB 3.2Å; A191-A195 PolarHBondContact O-N 2.98Å; Q192-A195 PolarHBondContact O-N 2.83Å; E193-A195 PolarHBondContact O-N 2.81Å; A195-Y198 PolarHBondContact O-N 3.17Å; A195-L199 PolarHBondContact O-N 3.32Å
196	S	80.9	Confident	75.3	Confident	62 Å²	62	113 Å²	113	43%	0.434	61%	0.608	S	S	.	*	H	α-helix	trans	-67.3	-37.1	174.2	73.4	0	0	0	0	112.6	Q192 E193 N194 Y198 L199 A200	Q192-S196 PolarHBondContact O-N 2.81Å; E193-S196 PolarHBondContact O-N 3.44Å; E193-S196 VanDerWaalsContact O-N 3.11Å; E193-S196 PolarHBondContact O-OG 3.25Å; N194-S196 VanDerWaalsContact C-N 3.28Å; N194-S196 PolarHBondContact O-N 3.17Å; S196-Y198 PolarHBondContact O-N 2.8Å; S196-L199 PolarHBondContact O-N 2.93Å; S196-A200 WeakPolarHBondContact O-CB 3.36Å; S196-A200 PolarHBondContact O-N 2.84Å; S196-A200 VanDerWaalsContact O-N 3.11Å
197	D	81	Confident	73.1	Confident	104 Å²	104	113.8 Å²	113.8	56%	0.556	61%	0.614	S	S	*	*	H	α-helix	trans	-63.4	-39.9	174.9	-85.3	-9	0	0	0	112.4	E193 N194 L199 A200 I201	E193-D197 PolarHBondContact O-N 2.9Å; N194-D197 PolarHBondContact O-N 3.4Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-L199 PolarHBondContact O-N 2.82Å; D197-A200 PolarHBondContact O-N 3.1Å; D197-I201 PolarHBondContact O-N 3.15Å
198	Y	70.4	Confident	70.8	Confident	183 Å²	183	117 Å²	117	72%	0.718	62%	0.623	S	S	*	*	H	α-helix	trans	-65.3	-33.7	176	-75.2	-70.3	0	0	0	113.4	N194 A195 S196	N194-Y198 WeakPolarHBondContact O-CD2 3.33Å; N194-Y198 PolarHBondContact O-N 3.18Å; N194-Y198 VanDerWaalsContact O-N 3.13Å; A195-Y198 PolarHBondContact O-N 3.17Å; S196-Y198 PolarHBondContact O-N 2.8Å
199	L	73.8	Confident	68.7	Low	158 Å²	158	116.9 Å²	116.9	83%	0.827	64%	0.637	S	S	*	*	H	α-helix	trans	-72.9	-21.2	173.3	-66	176	0	0	0	112.2	A195 S196 D197	A195-L199 PolarHBondContact O-N 3.32Å; S196-L199 PolarHBondContact O-N 2.93Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-L199 PolarHBondContact O-N 2.82Å
200	A	67.9	Low	66.8	Low	66 Å²	66	114.2 Å²	114.2	55%	0.545	64%	0.637	S	S	.	*	H	α-helix	trans	-89.3	-13.6	-179.1	0	0	0	0	0	114	S196 D197 P202	S196-A200 WeakPolarHBondContact O-CB 3.36Å; S196-A200 PolarHBondContact O-N 2.84Å; S196-A200 VanDerWaalsContact O-N 3.11Å; D197-A200 PolarHBondContact O-N 3.1Å; A200-P202 WeakPolarHBondContact O-CD 3.22Å
201	I	60.2	Low	64.9	Low	123 Å²	123	119 Å²	119	63%	0.631	66%	0.662	S	S	*	*	S	Bend	trans	-72.1	111.1	172.9	-61.1	172	0	0	0	108.4	D197	D197-I201 PolarHBondContact O-N 3.15Å
202	P	62.6	Low	63.6	Low	73 Å²	73	121.5 Å²	121.5	47%	0.474	67%	0.673	S	S	.	*			trans	-70.4	138	-173.7	-19.1	35.9	0	0	0	110.9	A200 E204	A200-P202 WeakPolarHBondContact O-CD 3.22Å; P202-E204 HydrophobicContact CB-CG 3.28Å; P202-E204 WeakPolarHBondContact CB-OE1 3.23Å; P202-E204 HydrophobicContact CG-CG 4.4Å; P202-E204 PolarHBondContact O-N 3.31Å
203	S	59.1	Low	61.7	Low	119 Å²	119	120.5 Å²	120.5	83%	0.832	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	19	175.2	54.3	0	0	0	0	114.4
204	E	58.9	Low	60	Low	149 Å²	149	122.6 Å²	122.6	70%	0.696	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	22.3	-166.2	46.2	178.9	138.3	0	0	114.7	P202 K206	P202-E204 HydrophobicContact CB-CG 3.28Å; P202-E204 WeakPolarHBondContact CB-OE1 3.23Å; P202-E204 HydrophobicContact CG-CG 4.4Å; P202-E204 PolarHBondContact O-N 3.31Å; E204-K206 PolarHBondContact O-N 3.46Å; E204-K206 VanDerWaalsContact O-N 3.07Å
205	N	49	Very low	58.6	Low	173 Å²	173	130.7 Å²	130.7	93%	0.925	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	7.4	149.5	-61.1	11	0	0	0	111.7
206	K	49.9	Very low	57.4	Low	177 Å²	177	134.9 Å²	134.9	77%	0.77	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-7	-174.2	-168.9	151.6	-178.4	153.2	0	115.6	E204	E204-K206 PolarHBondContact O-N 3.46Å; E204-K206 VanDerWaalsContact O-N 3.07Å
207	E	45.8	Very low	56.2	Low	168 Å²	168	138.7 Å²	138.7	79%	0.785	75%	0.754	S	S	*	*	S	Bend	trans	-140.8	95.8	174.4	-112.4	159.4	150.6	0	0	112.4
208	N	42.9	Very low	54.8	Low	126 Å²	126	140.6 Å²	140.6	67%	0.674	77%	0.765	S	S	*	*			trans	42.6	103.9	130.6	-54	5.5	0	0	0	114.8	A210	N208-A210 HydrophobicContact CB-CB 4.12Å; N208-A210 PolarHBondContact O-N 3.23Å; N208-A210 VanDerWaalsContact O-N 3.07Å
209	S	47.3	Very low	53.9	Low	138 Å²	138	138.1 Å²	138.1	97%	0.965	77%	0.768	S	S	*	*				24.1	52.8	66	-69	0	0	0	0	113.3
210	A	48	Very low	52.6	Low	72 Å²	72	136.9 Å²	136.9	60%	0.595	76%	0.764	S	S	*	*			trans	-130.8	98.4	160.8	0	0	0	0	0	107	N208	N208-A210 HydrophobicContact CB-CB 4.12Å; N208-A210 PolarHBondContact O-N 3.23Å; N208-A210 VanDerWaalsContact O-N 3.07Å
211	V	44.7	Very low	51.6	Low	140 Å²	140	141.6 Å²	141.6	85%	0.848	78%	0.778	S	S	*	*				99.4	146.1	90.1	156.9	0	0	0	0	110.5
212	P	56.2	Low	51	Low	111 Å²	111	142.9 Å²	142.9	72%	0.721	79%	0.789	S	S	*	*			trans	-114.1	156.6	-142.1	39.7	-28.3	0	0	0	114.2
213	V	47.1	Very low	50.1	Low	121 Å²	121	148.3 Å²	148.3	73%	0.733	81%	0.813	S	S	*	*			trans	-164	133.2	173.5	-175.7	0	0	0	0	104.6
214	E	48.7	Very low	49.4	Very low	173 Å²	173	150.8 Å²	150.8	81%	0.808	81%	0.812	S	S	*	*			cis	-161.2	171.5	25.2	-127.8	151.5	-144.9	0	0	110.8
215	E	53.8	Low	48.5	Very low	261 Å²	261	150.9 Å²	150.9	100%	1.22	82%	0.822	S	S	*	*			trans	-30.6	0	-179.4	-58.5	178.6	158.9	0	0	120.8

Retrieved 215 of 215 residues in 1185.5 ms (Link to these results)

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