A0A077ZAD9_TRITR Loading...

Proteasome subunit beta type 5

AlphaFold DB , UniProt , Accession A0A077ZAD9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 302 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	31.6	Very low	32.1	Very low	250 Å²	250	152.5 Å²	152.5	100%	1.232	82%	0.815	S	S	*	*				0	50.2	0	-85.7	-174.5	168.3	0	0	111.9
2	A	30.4	Very low	32.3	Very low	100 Å²	100	149.3 Å²	149.3	83%	0.826	80%	0.797	S	S	*	*			trans	-160.6	85.3	175.2	0	0	0	0	0	109.6
3	M	31.5	Very low	32.7	Very low	195 Å²	195	153.7 Å²	153.7	96%	0.961	80%	0.798	S	S	*	*			trans	-154.7	33.6	170.2	-133.7	-176.1	-151.4	0	0	112.5
4	L	35.5	Very low	33.2	Very low	162 Å²	162	146.3 Å²	146.3	85%	0.848	78%	0.778	S	S	*	*			trans	-113.4	34.2	179.9	-102.6	159.1	0	0	0	112.1
5	K	30.6	Very low	34.1	Very low	202 Å²	202	141.7 Å²	141.7	88%	0.878	75%	0.754	S	S	*	*	S	Bend	trans	-134.8	75	178.2	-75	-174.3	177.4	-178.5	0	111.1
6	S	32.9	Very low	35.2	Very low	105 Å²	105	141 Å²	141	73%	0.734	75%	0.75	S	S	*	*			trans	164.7	56	144.4	65.6	0	0	0	0	111.9	R8	S6-R8 PolarHBondContact O-N 3.31Å
7	L	29.7	Very low	36.3	Very low	137 Å²	137	135.5 Å²	135.5	72%	0.717	72%	0.72	S	S	*	*			trans	-83.6	101.3	166.8	-85.5	153.9	0	0	0	108
8	R	28.5	Very low	36.8	Very low	190 Å²	190	130.6 Å²	130.6	72%	0.717	69%	0.693	S	S	*	*			trans	-77.6	142.8	169.4	-74.2	-178.1	-72	-169.7	-2.5	107.9	S6 T10 D11	S6-R8 PolarHBondContact O-N 3.31Å; R8-T10 PolarHBondContact O-N 3.25Å; R8-D11 PolarHBondContact O-N 3.15Å; R8-D11 VanDerWaalsContact O-N 3.15Å
9	C	30.4	Very low	37.5	Very low	123 Å²	123	126.5 Å²	126.5	83%	0.831	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-0.7	-174.8	-158.7	0	0	0	0	114.9
10	T	36.1	Very low	38.5	Very low	110 Å²	110	125.8 Å²	125.8	68%	0.675	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-17.4	175.1	48	0	0	0	0	113.9	R8	R8-T10 PolarHBondContact O-N 3.25Å
11	D	35.9	Very low	39.1	Very low	103 Å²	103	120.5 Å²	120.5	55%	0.551	64%	0.64	S	S	*	*	S	Bend	trans	-96.7	6.7	-167	-53.9	-20.6	0	0	0	113.1	R8	R8-D11 PolarHBondContact O-N 3.15Å; R8-D11 VanDerWaalsContact O-N 3.15Å
12	L	34.5	Very low	40	Very low	114 Å²	114	115 Å²	115	60%	0.597	61%	0.606	S	S	*	*	S	Bend	trans	-109.4	90.9	179.4	-77.1	148.3	0	0	0	109.1
13	Y	37.6	Very low	41.3	Very low	207 Å²	207	117 Å²	117	81%	0.812	60%	0.595	S	S	*	*	S	Bend	trans	77.3	83.2	167.8	-51.4	-82.8	0	0	0	117.2
14	G	40.3	Very low	42.1	Very low	50 Å²	50	110 Å²	110	52%	0.515	56%	0.562	S	S	.	*			trans	-157.8	91.9	163.9	0	0	0	0	0	110.5
15	D	46.8	Very low	42.6	Very low	78 Å²	78	103.6 Å²	103.6	42%	0.417	53%	0.531	S	S	.	.			trans	-62.1	159.9	173.3	-75.2	-50.8	0	0	0	110.9	I17 E18 R187	D15-I17 HydrophobicContact CB-CD1 4.37Å; D15-I17 CarbonylContact O-C 3.58Å; D15-I17 PolarHBondContact O-N 2.81Å; D15-E18 PolarHBondContact O-N 3.15Å; D15-R187 IonicContact OD1-NH1 3.66Å
16	D	51.1	Low	43.4	Very low	130 Å²	130	100.5 Å²	100.5	70%	0.695	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.4	-27.5	180	-63.6	-50.7	0	0	0	115.4	E18 S19 E20	D16-E18 VanDerWaalsContact C-N 3.32Å; D16-E18 PolarHBondContact O-N 3.3Å; D16-S19 WeakPolarHBondContact O-CB 3.5Å; D16-S19 PolarHBondContact O-N 3.35Å; D16-S19 PolarHBondContact O-OG 2.88Å; D16-E20 PolarHBondContact O-N 2.88Å
17	I	53.1	Low	44.2	Very low	47 Å²	47	102.3 Å²	102.3	24%	0.241	52%	0.522	C	S	.	.	H	α-helix	trans	-48.3	-44.5	169.3	-65.4	162.1	0	0	0	112.7	D15 S19 E20 M21 Y135	D15-I17 HydrophobicContact CB-CD1 4.37Å; D15-I17 CarbonylContact O-C 3.58Å; D15-I17 PolarHBondContact O-N 2.81Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 3.14Å; I17-E20 PolarHBondContact O-N 3.28Å; I17-M21 HydrophobicContact CG2-CG 4.14Å; I17-M21 HydrophobicContact CG2-SD 3.82Å; I17-M21 VanDerWaalsContact O-CB 3.25Å; I17-M21 WeakPolarHBondContact O-CB 3.38Å; I17-M21 WeakPolarHBondContact O-CG 3.31Å; I17-M21 PolarHBondContact O-N 2.96Å; I17-Y135 WeakPolarHBondContact CD1-OH 3.39Å; I17-Y135 HydrophobicContact CG1-CE2 4.4Å; I17-Y135 HydrophobicContact CG2-CD2 4.33Å; I17-Y135 HydrophobicContact CG2-CE2 3.47Å; I17-Y135 VanDerWaalsContact CG2-CE2 3.47Å
18	E	46.1	Very low	45.1	Very low	47 Å²	47	98.4 Å²	98.4	22%	0.22	51%	0.505	C	S	.	.	H	α-helix	trans	-65.1	-35.3	179	-174.9	173.4	-176.3	0	0	111.2	D15 D16 R22 K150 N154	D15-E18 PolarHBondContact O-N 3.15Å; D16-E18 VanDerWaalsContact C-N 3.32Å; D16-E18 PolarHBondContact O-N 3.3Å; E18-R22 WeakPolarHBondContact O-CB 3.47Å; E18-R22 VanDerWaalsContact O-CG 3.29Å; E18-R22 WeakPolarHBondContact O-CG 2.99Å; E18-R22 PolarHBondContact O-N 2.77Å; E18-R22 IonicContact OE1-CZ 2.98Å; E18-R22 IonicContact OE1-NE 3.15Å; E18-R22 IonicContact OE1-NH2 3.57Å; E18-R22 PolarHBondContact OE1-NH2 2.81Å; E18-R22 VanDerWaalsContact OE1-NH2 3.15Å; E18-K150 WeakPolarHBondContact OE1-CE 3.39Å; E18-N154 PolarHBondContact OE1-ND2 2.88Å
19	S	51	Low	45.9	Very low	53 Å²	53	89.8 Å²	89.8	37%	0.371	47%	0.474	S	S	.	.	H	α-helix	trans	-71.8	-42.3	177.4	96.2	0	0	0	0	111.7	D16 I17 R22 K23	D16-S19 WeakPolarHBondContact O-CB 3.5Å; D16-S19 PolarHBondContact O-N 3.35Å; D16-S19 PolarHBondContact O-OG 2.88Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 3.14Å; S19-R22 PolarHBondContact O-N 2.94Å; S19-K23 WeakPolarHBondContact O-CG 3.26Å; S19-K23 PolarHBondContact O-N 3.07Å
20	E	55.8	Low	46.8	Very low	112 Å²	112	86.8 Å²	86.8	52%	0.523	45%	0.45	S	S	.	.	H	α-helix	trans	-65.2	-45.8	176.9	-74.4	-172.8	155.9	0	0	110.7	D16 I17 R22 K23 D24	D16-E20 PolarHBondContact O-N 2.88Å; I17-E20 PolarHBondContact O-N 3.28Å; E20-R22 VanDerWaalsContact C-N 3.33Å; E20-R22 PolarHBondContact O-N 3.35Å; E20-K23 PolarHBondContact O-N 2.77Å; E20-D24 WeakPolarHBondContact O-CB 3.29Å; E20-D24 PolarHBondContact O-N 2.99Å
21	M	51.6	Low	47.4	Very low	16 Å²	16	82.4 Å²	82.4	8%	0.079	42%	0.423	C	S	.	.	H	α-helix	trans	-65	-35	177.1	-69.7	-169.5	80.5	0	0	112.3	I17 D24 C25 T131 Y135 I143 I151	I17-M21 HydrophobicContact CG2-CG 4.14Å; I17-M21 HydrophobicContact CG2-SD 3.82Å; I17-M21 VanDerWaalsContact O-CB 3.25Å; I17-M21 WeakPolarHBondContact O-CB 3.38Å; I17-M21 WeakPolarHBondContact O-CG 3.31Å; I17-M21 PolarHBondContact O-N 2.96Å; M21-D24 PolarHBondContact O-N 3.04Å; M21-C25 VanDerWaalsContact O-CB 3.27Å; M21-C25 WeakPolarHBondContact O-CB 3.37Å; M21-C25 PolarHBondContact O-N 2.85Å; M21-C25 PolarHBondContact O-SG 2.6Å; M21-C25 VanDerWaalsContact O-SG 3.39Å; M21-T131 HydrophobicContact CE-CG2 3.65Å; M21-Y135 HydrophobicContact CE-CD2 3.96Å; M21-Y135 HydrophobicContact CE-CG 4.12Å; M21-Y135 HydrophobicContact CG-CD2 3.88Å; M21-Y135 HydrophobicContact CG-CE2 4.38Å; M21-Y135 HydrophobicContact SD-CD2 3.47Å; M21-Y135 WeakPolarHBondContact SD-CD2 3.5Å; M21-Y135 HydrophobicContact SD-CE2 3.99Å; M21-Y135 HydrophobicContact SD-CG 4.11Å; M21-I143 HydrophobicContact CE-CD1 4.12Å; M21-I143 HydrophobicContact SD-CD1 4.44Å; M21-I151 HydrophobicContact CE-CD1 3.22Å; M21-I151 HydrophobicContact CE-CG1 4.27Å; M21-I151 HydrophobicContact SD-CD1 3.66Å; M21-I151 HydrophobicContact SD-CG1 4.46Å
22	R	50.9	Low	48	Very low	135 Å²	135	84.9 Å²	84.9	51%	0.509	43%	0.429	S	S	.	.	H	α-helix	trans	-65.9	-45.3	172.7	-82.8	-179.6	178.3	178.8	2.3	112	E18 S19 E20 D24 C25 M26 N154	E18-R22 WeakPolarHBondContact O-CB 3.47Å; E18-R22 VanDerWaalsContact O-CG 3.29Å; E18-R22 WeakPolarHBondContact O-CG 2.99Å; E18-R22 PolarHBondContact O-N 2.77Å; E18-R22 IonicContact OE1-CZ 2.98Å; E18-R22 IonicContact OE1-NE 3.15Å; E18-R22 IonicContact OE1-NH2 3.57Å; E18-R22 PolarHBondContact OE1-NH2 2.81Å; E18-R22 VanDerWaalsContact OE1-NH2 3.15Å; S19-R22 PolarHBondContact O-N 2.94Å; E20-R22 VanDerWaalsContact C-N 3.33Å; E20-R22 PolarHBondContact O-N 3.35Å; R22-D24 VanDerWaalsContact C-N 3.27Å; R22-D24 PolarHBondContact O-N 3.33Å; R22-C25 PolarHBondContact O-N 3.45Å; R22-M26 WeakPolarHBondContact O-CG 3.44Å; R22-M26 PolarHBondContact O-N 3.36Å; R22-N154 PolarHBondContact NH2-ND2 3.14Å
23	K	56.7	Low	48.8	Very low	140 Å²	140	81.9 Å²	81.9	61%	0.609	43%	0.425	S	S	*	.	H	α-helix	trans	-59.3	-42.8	175.3	-72.2	171.9	-175.7	172	0	110.8	S19 E20 M26 L27	S19-K23 WeakPolarHBondContact O-CG 3.26Å; S19-K23 PolarHBondContact O-N 3.07Å; E20-K23 PolarHBondContact O-N 2.77Å; K23-M26 PolarHBondContact O-N 3.34Å; K23-L27 WeakPolarHBondContact O-CD1 3.48Å; K23-L27 WeakPolarHBondContact O-CG 3.42Å; K23-L27 PolarHBondContact O-N 2.98Å; K23-L27 VanDerWaalsContact O-N 3.14Å
24	D	50	Low	49.6	Very low	49 Å²	49	75.6 Å²	75.6	26%	0.262	41%	0.409	S	S	.	.	H	α-helix	trans	-71.7	-36.9	179.1	-85.5	-20.8	0	0	0	113.7	E20 M21 R22 M26 L27 S28 R138	E20-D24 WeakPolarHBondContact O-CB 3.29Å; E20-D24 PolarHBondContact O-N 2.99Å; M21-D24 PolarHBondContact O-N 3.04Å; R22-D24 VanDerWaalsContact C-N 3.27Å; R22-D24 PolarHBondContact O-N 3.33Å; D24-M26 VanDerWaalsContact C-N 3.3Å; D24-L27 PolarHBondContact O-N 2.92Å; D24-S28 WeakPolarHBondContact O-CB 3.13Å; D24-S28 PolarHBondContact O-N 3.44Å; D24-R138 VanDerWaalsContact CB-NH1 3.28Å; D24-R138 IonicContact OD1-CZ 3.44Å; D24-R138 IonicContact OD1-NH1 2.63Å; D24-R138 PolarHBondContact OD1-NH1 2.92Å; D24-R138 IonicContact OD2-CZ 3.01Å; D24-R138 IonicContact OD2-NE 3.4Å; D24-R138 IonicContact OD2-NH1 3.76Å; D24-R138 PolarHBondContact OD2-NH1 3.37Å
25	C	45.9	Very low	50.2	Low	28 Å²	28	77.9 Å²	77.9	19%	0.189	41%	0.407	C	S	.	.	H	α-helix	trans	-60.8	-43.7	171.2	-84.4	0	0	0	0	109.7	M21 R22 L27 T29 D30	M21-C25 VanDerWaalsContact O-CB 3.27Å; M21-C25 WeakPolarHBondContact O-CB 3.37Å; M21-C25 PolarHBondContact O-N 2.85Å; M21-C25 PolarHBondContact O-SG 2.6Å; M21-C25 VanDerWaalsContact O-SG 3.39Å; R22-C25 PolarHBondContact O-N 3.45Å; C25-L27 PolarHBondContact O-N 3.1Å; C25-T29 CarbonylContact O-C 3.5Å; C25-T29 WeakPolarHBondContact O-CA 3.34Å; C25-T29 PolarHBondContact O-N 3.43Å; C25-T29 PolarHBondContact O-OG1 2.62Å; C25-D30 PolarHBondContact O-N 3Å; C25-D30 VanDerWaalsContact O-N 3.07Å
26	M	46.6	Very low	50.6	Low	136 Å²	136	78.8 Å²	78.8	67%	0.67	42%	0.42	S	S	*	.	H	α-helix	trans	-64.3	-26.4	176.4	-63	-74	-86.2	0	0	113.1	R22 K23 D24	R22-M26 WeakPolarHBondContact O-CG 3.44Å; R22-M26 PolarHBondContact O-N 3.36Å; K23-M26 PolarHBondContact O-N 3.34Å; D24-M26 VanDerWaalsContact C-N 3.3Å
27	L	49.8	Very low	50.9	Low	144 Å²	144	76.1 Å²	76.1	75%	0.754	41%	0.405	S	S	*	.	H	α-helix	trans	-90.4	-34.8	179.5	-76	160	0	0	0	114.1	K23 D24 C25	K23-L27 WeakPolarHBondContact O-CD1 3.48Å; K23-L27 WeakPolarHBondContact O-CG 3.42Å; K23-L27 PolarHBondContact O-N 2.98Å; K23-L27 VanDerWaalsContact O-N 3.14Å; D24-L27 PolarHBondContact O-N 2.92Å; C25-L27 PolarHBondContact O-N 3.1Å
28	S	48	Very low	51.3	Low	54 Å²	54	77.8 Å²	77.8	38%	0.378	42%	0.419	S	S	.	.	H	α-helix	trans	-108.9	-22.4	-171	-178.3	0	0	0	0	114	D24	D24-S28 WeakPolarHBondContact O-CB 3.13Å; D24-S28 PolarHBondContact O-N 3.44Å
29	T	45.6	Very low	51.7	Low	9 Å²	9	81.3 Å²	81.3	6%	0.055	45%	0.446	C	S	.	.			trans	-159.6	64.9	-173.5	53.1	0	0	0	0	108.4	C25 P31 L127 K130	C25-T29 CarbonylContact O-C 3.5Å; C25-T29 WeakPolarHBondContact O-CA 3.34Å; C25-T29 PolarHBondContact O-N 3.43Å; C25-T29 PolarHBondContact O-OG1 2.62Å; T29-P31 WeakPolarHBondContact O-CD 3.29Å; T29-L127 HydrophobicContact CG2-CD1 3.98Å; T29-K130 HydrophobicContact CG2-CD 4.47Å
30	D	49.9	Very low	52.3	Low	61 Å²	61	86.6 Å²	86.6	33%	0.326	47%	0.47	S	S	.	.			trans	-58.5	111	168.1	176	8.1	0	0	0	106	C25 K32 G33 V34	C25-D30 PolarHBondContact O-N 3Å; C25-D30 VanDerWaalsContact O-N 3.07Å; D30-K32 PolarHBondContact O-N 2.88Å; D30-K32 VanDerWaalsContact O-N 3.1Å; D30-K32 VanDerWaalsContact OD1-CB 3.29Å; D30-K32 WeakPolarHBondContact OD1-CB 3.46Å; D30-K32 PolarHBondContact OD1-N 3.04Å; D30-G33 CarbonylContact O-C 3.49Å; D30-G33 WeakPolarHBondContact O-CA 3.45Å; D30-G33 PolarHBondContact O-N 2.98Å; D30-G33 PolarHBondContact OD2-N 2.87Å; D30-V34 WeakPolarHBondContact O-CG2 3.49Å; D30-V34 PolarHBondContact O-N 3.08Å
31	P	48.1	Very low	52.8	Low	17 Å²	17	82.1 Å²	82.1	11%	0.11	45%	0.45	C	S	.	.	H	α-helix	trans	-56	-33.3	-178.7	-21.1	33.5	0	0	0	110.4	T29 G33 V34 M35 W124 Y159	T29-P31 WeakPolarHBondContact O-CD 3.29Å; P31-G33 VanDerWaalsContact C-N 3.33Å; P31-G33 PolarHBondContact O-N 3.03Å; P31-V34 PolarHBondContact O-N 2.86Å; P31-M35 PolarHBondContact O-N 2.91Å; P31-M35 VanDerWaalsContact O-N 3.08Å; P31-W124 HydrophobicContact CB-CH2 4.37Å; P31-W124 HydrophobicContact CB-CZ3 4.37Å; P31-Y159 HydrophobicContact CB-CE2 3.88Å; P31-Y159 WeakPolarHBondContact CB-OH 3.32Å; P31-Y159 PolarHBondContact O-OH 3.02Å
32	K	49.9	Very low	53.5	Low	155 Å²	155	93.3 Å²	93.3	67%	0.674	49%	0.492	S	S	*	.	H	α-helix	trans	-70.1	-28.3	176.5	-57.1	-178	176.9	-179.9	0	112.7	D30	D30-K32 PolarHBondContact O-N 2.88Å; D30-K32 VanDerWaalsContact O-N 3.1Å; D30-K32 VanDerWaalsContact OD1-CB 3.29Å; D30-K32 WeakPolarHBondContact OD1-CB 3.46Å; D30-K32 PolarHBondContact OD1-N 3.04Å
33	G	50.7	Low	54.3	Low	51 Å²	51	91 Å²	91	53%	0.526	49%	0.489	S	S	.	.	H	α-helix	trans	-83.9	-30.5	174.1	0	0	0	0	0	113.9	D30 P31	D30-G33 CarbonylContact O-C 3.49Å; D30-G33 WeakPolarHBondContact O-CA 3.45Å; D30-G33 PolarHBondContact O-N 2.98Å; D30-G33 PolarHBondContact OD2-N 2.87Å; P31-G33 VanDerWaalsContact C-N 3.33Å; P31-G33 PolarHBondContact O-N 3.03Å
34	V	54.1	Low	54.9	Low	76 Å²	76	87.1 Å²	87.1	46%	0.461	48%	0.477	S	S	.	.	H	α-helix	trans	-77.8	-33.6	179.9	177.9	0	0	0	0	111.4	D30 P31 F123	D30-V34 WeakPolarHBondContact O-CG2 3.49Å; D30-V34 PolarHBondContact O-N 3.08Å; P31-V34 PolarHBondContact O-N 2.86Å; V34-F123 HydrophobicContact CG1-CZ 4.21Å
35	M	53.8	Low	55.6	Low	97 Å²	97	88.7 Å²	88.7	48%	0.478	49%	0.492	S	S	.	.	S	Bend	trans	-108.7	83.5	173.3	-164.9	171.1	-163.8	0	0	109.6	P31	P31-M35 PolarHBondContact O-N 2.91Å; P31-M35 VanDerWaalsContact O-N 3.08Å
36	S	54.8	Low	56.6	Low	98 Å²	98	87.9 Å²	87.9	69%	0.685	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-76.5	130.8	166.5	50.8	0	0	0	0	109.1
37	L	57.8	Low	57.8	Low	73 Å²	73	85.3 Å²	85.3	38%	0.382	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-61.2	148.7	166.3	-59.2	-178.7	0	0	0	108.6	V41 V44	L37-V41 HydrophobicContact CB-CB 4.43Å; L37-V41 WeakPolarHBondContact CB-O 2.92Å; L37-V41 VanDerWaalsContact CD1-O 3.25Å; L37-V41 WeakPolarHBondContact CD1-O 3.31Å; L37-V44 HydrophobicContact CD1-CG2 3.43Å; L37-V44 VanDerWaalsContact CD1-CG2 3.43Å; L37-V44 HydrophobicContact CD2-CG2 3.22Å; L37-V44 HydrophobicContact CG-CG2 3.94Å
38	P	59.9	Low	58.6	Low	82 Å²	82	81.7 Å²	81.7	53%	0.532	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-49.2	135.7	173.9	-23.2	30.7	0	0	0	109.6	N40 V41	P38-N40 PolarHBondContact O-N 3.38Å; P38-V41 HydrophobicContact CB-CG2 4.03Å; P38-V41 HydrophobicContact CG-CG2 4.21Å; P38-V41 PolarHBondContact O-N 2.84Å
39	P	54.1	Low	59.5	Low	121 Å²	121	82.6 Å²	82.6	79%	0.786	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	122	177.7	19.9	-29.1	0	0	0	108.3
40	N	64.5	Low	60.6	Low	164 Å²	164	88.9 Å²	88.9	88%	0.877	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	-4.6	-173.2	-52.6	-30.6	0	0	0	118.1	P38	P38-N40 PolarHBondContact O-N 3.38Å
41	V	65.8	Low	61.5	Low	19 Å²	19	91.6 Å²	91.6	12%	0.115	50%	0.503	C	S	.	.			trans	-96.8	96.6	174.2	-178.6	0	0	0	0	110.1	L37 P38 V44 F47	L37-V41 HydrophobicContact CB-CB 4.43Å; L37-V41 WeakPolarHBondContact CB-O 2.92Å; L37-V41 VanDerWaalsContact CD1-O 3.25Å; L37-V41 WeakPolarHBondContact CD1-O 3.31Å; P38-V41 HydrophobicContact CB-CG2 4.03Å; P38-V41 HydrophobicContact CG-CG2 4.21Å; P38-V41 PolarHBondContact O-N 2.84Å; V41-V44 HydrophobicContact CG1-CG2 4.44Å; V41-F47 HydrophobicContact CG1-CB 3.62Å; V41-F47 HydrophobicContact CG1-CD1 4.42Å; V41-F47 HydrophobicContact CG1-CD2 4.22Å; V41-F47 HydrophobicContact CG1-CG 3.83Å; V41-F47 HydrophobicContact CG2-CD1 4.42Å; V41-F47 HydrophobicContact CG2-CD2 3.65Å; V41-F47 HydrophobicContact CG2-CE2 3.83Å; V41-F47 HydrophobicContact CG2-CG 3.97Å; V41-F47 HydrophobicContact CG2-CZ 4.3Å
42	R	66.1	Low	62.3	Low	251 Å²	251	94 Å²	94	95%	0.947	52%	0.515	S	S	*	.	S	Bend	trans	-85.3	-27.8	178.1	-65.8	-176.3	-177.6	-180	1.2	113.6
43	D	69.5	Low	62.1	Low	85 Å²	85	91.5 Å²	91.5	46%	0.455	51%	0.513	S	S	.	.			trans	-128.3	106.1	176.9	175.2	12	0	0	0	108.4	S45 G46 F47	D43-S45 VanDerWaalsContact C-N 3.32Å; D43-S45 WeakPolarHBondContact OD1-CB 3.46Å; D43-S45 PolarHBondContact OD1-N 3.07Å; D43-S45 PolarHBondContact OD1-OG 3.16Å; D43-G46 PolarHBondContact OD1-N 2.78Å; D43-G46 WeakPolarHBondContact OD2-CA 3.44Å; D43-G46 PolarHBondContact OD2-N 3.21Å; D43-F47 WeakPolarHBondContact O-CB 3.31Å; D43-F47 PolarHBondContact O-N 3.17Å
44	V	67.3	Low	62.1	Low	59 Å²	59	93 Å²	93	36%	0.358	53%	0.528	S	S	.	.	H	α-helix	trans	-65.8	-40.4	178.3	-172.2	0	0	0	0	110.6	L37 V41 F47 V48	L37-V44 HydrophobicContact CD1-CG2 3.43Å; L37-V44 VanDerWaalsContact CD1-CG2 3.43Å; L37-V44 HydrophobicContact CD2-CG2 3.22Å; L37-V44 HydrophobicContact CG-CG2 3.94Å; V41-V44 HydrophobicContact CG1-CG2 4.44Å; V44-F47 PolarHBondContact O-N 2.9Å; V44-V48 HydrophobicContact CG1-CG2 4.16Å; V44-V48 VanDerWaalsContact O-CB 3.3Å; V44-V48 WeakPolarHBondContact O-CB 3.26Å; V44-V48 WeakPolarHBondContact O-CG2 3.4Å; V44-V48 PolarHBondContact O-N 3.15Å
45	S	64.8	Low	61.8	Low	82 Å²	82	94.3 Å²	94.3	57%	0.573	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-44.3	-177.2	72.9	0	0	0	0	110.5	D43 S49	D43-S45 VanDerWaalsContact C-N 3.32Å; D43-S45 WeakPolarHBondContact OD1-CB 3.46Å; D43-S45 PolarHBondContact OD1-N 3.07Å; D43-S45 PolarHBondContact OD1-OG 3.16Å; S45-S49 VanDerWaalsContact O-CB 3.26Å; S45-S49 WeakPolarHBondContact O-CB 3.48Å; S45-S49 PolarHBondContact O-N 3.27Å
46	G	68.5	Low	61.4	Low	12 Å²	12	97.5 Å²	97.5	12%	0.124	55%	0.547	C	S	.	.	H	α-helix	trans	-66.5	-39.9	172.1	0	0	0	0	0	112.6	D43 S49 Q50	D43-G46 PolarHBondContact OD1-N 2.78Å; D43-G46 WeakPolarHBondContact OD2-CA 3.44Å; D43-G46 PolarHBondContact OD2-N 3.21Å; G46-S49 CarbonylContact O-C 3.59Å; G46-S49 PolarHBondContact O-N 3.18Å; G46-Q50 WeakPolarHBondContact O-CB 3.34Å; G46-Q50 WeakPolarHBondContact O-CG 3.25Å; G46-Q50 PolarHBondContact O-N 3.1Å
47	F	70.2	Confident	61.1	Low	82 Å²	82	98.6 Å²	98.6	36%	0.36	54%	0.543	S	S	.	.	H	α-helix	trans	-64	-48.3	176.6	179.7	-91.1	0	0	0	111.5	V41 D43 V44 S49 Q50 H51	V41-F47 HydrophobicContact CG1-CB 3.62Å; V41-F47 HydrophobicContact CG1-CD1 4.42Å; V41-F47 HydrophobicContact CG1-CD2 4.22Å; V41-F47 HydrophobicContact CG1-CG 3.83Å; V41-F47 HydrophobicContact CG2-CD1 4.42Å; V41-F47 HydrophobicContact CG2-CD2 3.65Å; V41-F47 HydrophobicContact CG2-CE2 3.83Å; V41-F47 HydrophobicContact CG2-CG 3.97Å; V41-F47 HydrophobicContact CG2-CZ 4.3Å; D43-F47 WeakPolarHBondContact O-CB 3.31Å; D43-F47 PolarHBondContact O-N 3.17Å; V44-F47 PolarHBondContact O-N 2.9Å; F47-S49 VanDerWaalsContact C-N 3.32Å; F47-S49 PolarHBondContact O-N 3.36Å; F47-Q50 PolarHBondContact O-N 2.79Å; F47-H51 AromaticContact CD2-CE1 3.49Å; F47-H51 VanDerWaalsContact CD2-CE1 3.49Å; F47-H51 WeakPolarHBondContact CD2-CE1 3.17Å; F47-H51 AromaticContact CD2-CG 3.96Å; F47-H51 AromaticContact CD2-ND1 3.3Å; F47-H51 VanDerWaalsContact CD2-ND1 3.3Å; F47-H51 WeakPolarHBondContact CD2-ND1 3.16Å; F47-H51 HydrophobicContact CE1-CB 4.39Å; F47-H51 HydrophobicContact CE2-CB 4.44Å; F47-H51 AromaticContact CE2-CD2 3.95Å; F47-H51 AromaticContact CE2-CE1 3.67Å; F47-H51 AromaticContact CE2-CG 3.74Å; F47-H51 AromaticContact CE2-ND1 3.55Å; F47-H51 AromaticContact CE2-NE2 3.91Å; F47-H51 AromaticContact CG-ND1 3.79Å; F47-H51 HydrophobicContact CZ-CB 4.27Å; F47-H51 VanDerWaalsContact O-CB 3.32Å; F47-H51 WeakPolarHBondContact O-CB 3.31Å; F47-H51 PolarHBondContact O-N 2.88Å; F47-H51 PolarHBondContact O-ND1 2.97Å
48	V	67	Low	60.8	Low	68 Å²	68	101.3 Å²	101.3	41%	0.412	55%	0.553	S	S	.	*	H	α-helix	trans	-59.7	-45.8	173.9	169.5	0	0	0	0	109.7	V44 Q50 L52	V44-V48 HydrophobicContact CG1-CG2 4.16Å; V44-V48 VanDerWaalsContact O-CB 3.3Å; V44-V48 WeakPolarHBondContact O-CB 3.26Å; V44-V48 WeakPolarHBondContact O-CG2 3.4Å; V44-V48 PolarHBondContact O-N 3.15Å; V48-Q50 PolarHBondContact O-N 2.7Å; V48-L52 HydrophobicContact CB-CD1 4.18Å; V48-L52 HydrophobicContact CG1-CB 4.47Å; V48-L52 HydrophobicContact CG1-CD1 3.88Å; V48-L52 HydrophobicContact CG2-CD1 4.07Å; V48-L52 VanDerWaalsContact O-CA 3.3Å; V48-L52 WeakPolarHBondContact O-CA 3.35Å; V48-L52 WeakPolarHBondContact O-CB 3.39Å; V48-L52 PolarHBondContact O-N 2.96Å
49	S	66.9	Low	60.7	Low	73 Å²	73	103.2 Å²	103.2	51%	0.51	56%	0.557	S	S	.	*	H	α-helix	trans	-62.2	-44.6	177.3	-167.9	0	0	0	0	111.5	S45 G46 F47 T53	S45-S49 VanDerWaalsContact O-CB 3.26Å; S45-S49 WeakPolarHBondContact O-CB 3.48Å; S45-S49 PolarHBondContact O-N 3.27Å; G46-S49 CarbonylContact O-C 3.59Å; G46-S49 PolarHBondContact O-N 3.18Å; F47-S49 VanDerWaalsContact C-N 3.32Å; F47-S49 PolarHBondContact O-N 3.36Å; S49-T53 VanDerWaalsContact O-CB 3.26Å; S49-T53 WeakPolarHBondContact O-CB 3.13Å; S49-T53 WeakPolarHBondContact O-CG2 3.29Å; S49-T53 PolarHBondContact O-N 2.94Å; S49-T53 PolarHBondContact O-OG1 2.97Å
50	Q	69.3	Low	60.9	Low	141 Å²	141	102.5 Å²	102.5	66%	0.659	55%	0.546	S	S	*	.	H	α-helix	trans	-79.3	-35.6	-172.8	-74.1	171.9	-3.8	0	0	113.9	G46 F47 V48 T53	G46-Q50 WeakPolarHBondContact O-CB 3.34Å; G46-Q50 WeakPolarHBondContact O-CG 3.25Å; G46-Q50 PolarHBondContact O-N 3.1Å; F47-Q50 PolarHBondContact O-N 2.79Å; V48-Q50 PolarHBondContact O-N 2.7Å; Q50-T53 PolarHBondContact O-OG1 3.15Å
51	H	68.9	Low	61.3	Low	117 Å²	117	98.3 Å²	98.3	54%	0.542	52%	0.52	S	S	.	.	H	α-helix	trans	-102.5	-20	-172.7	-60.3	78.6	0	0	0	112.2	F47	F47-H51 AromaticContact CD2-CE1 3.49Å; F47-H51 VanDerWaalsContact CD2-CE1 3.49Å; F47-H51 WeakPolarHBondContact CD2-CE1 3.17Å; F47-H51 AromaticContact CD2-CG 3.96Å; F47-H51 AromaticContact CD2-ND1 3.3Å; F47-H51 VanDerWaalsContact CD2-ND1 3.3Å; F47-H51 WeakPolarHBondContact CD2-ND1 3.16Å; F47-H51 HydrophobicContact CE1-CB 4.39Å; F47-H51 HydrophobicContact CE2-CB 4.44Å; F47-H51 AromaticContact CE2-CD2 3.95Å; F47-H51 AromaticContact CE2-CE1 3.67Å; F47-H51 AromaticContact CE2-CG 3.74Å; F47-H51 AromaticContact CE2-ND1 3.55Å; F47-H51 AromaticContact CE2-NE2 3.91Å; F47-H51 AromaticContact CG-ND1 3.79Å; F47-H51 HydrophobicContact CZ-CB 4.27Å; F47-H51 VanDerWaalsContact O-CB 3.32Å; F47-H51 WeakPolarHBondContact O-CB 3.31Å; F47-H51 PolarHBondContact O-N 2.88Å; F47-H51 PolarHBondContact O-ND1 2.97Å
52	L	64.1	Low	61.8	Low	67 Å²	67	97.5 Å²	97.5	35%	0.351	52%	0.515	S	S	.	.	S	Bend	trans	-110.2	12.1	175.4	-51.3	164.8	0	0	0	111.5	V48 G54 V55 M57	V48-L52 HydrophobicContact CB-CD1 4.18Å; V48-L52 HydrophobicContact CG1-CB 4.47Å; V48-L52 HydrophobicContact CG1-CD1 3.88Å; V48-L52 HydrophobicContact CG2-CD1 4.07Å; V48-L52 VanDerWaalsContact O-CA 3.3Å; V48-L52 WeakPolarHBondContact O-CA 3.35Å; V48-L52 WeakPolarHBondContact O-CB 3.39Å; V48-L52 PolarHBondContact O-N 2.96Å; L52-G54 PolarHBondContact O-N 2.96Å; L52-V55 CarbonylContact O-C 3.34Å; L52-V55 PolarHBondContact O-N 3.37Å; L52-M57 HydrophobicContact CD1-CE 3.44Å; L52-M57 VanDerWaalsContact CD1-CE 3.44Å; L52-M57 HydrophobicContact CD2-CE 4.23Å; L52-M57 HydrophobicContact CG-CE 4.37Å
53	T	46.5	Very low	62.8	Low	103 Å²	103	86.1 Å²	86.1	63%	0.632	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	120.3	167.4	27.1	0	0	0	0	110.6	S49 Q50	S49-T53 VanDerWaalsContact O-CB 3.26Å; S49-T53 WeakPolarHBondContact O-CB 3.13Å; S49-T53 WeakPolarHBondContact O-CG2 3.29Å; S49-T53 PolarHBondContact O-N 2.94Å; S49-T53 PolarHBondContact O-OG1 2.97Å; Q50-T53 PolarHBondContact O-OG1 3.15Å
54	G	49.6	Very low	63.9	Low	82 Å²	82	82.1 Å²	82.1	85%	0.845	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.4	-31.5	178.8	0	0	0	0	0	112.8	L52	L52-G54 PolarHBondContact O-N 2.96Å
55	V	48	Very low	65	Low	105 Å²	105	79.3 Å²	79.3	64%	0.636	44%	0.435	S	S	*	.	S	Bend	trans	-119.4	84.7	163.4	-172.4	0	0	0	0	105.3	L52 M57	L52-V55 CarbonylContact O-C 3.34Å; L52-V55 PolarHBondContact O-N 3.37Å; V55-M57 HydrophobicContact CG1-CG 4.36Å; V55-M57 PolarHBondContact O-N 3.39Å
56	K	45	Very low	66.3	Low	164 Å²	164	75.4 Å²	75.4	71%	0.713	41%	0.408	S	S	*	.			trans	-53.6	107.8	158.3	-72.8	-168.3	-175.6	178.5	0	103.9	H58	K56-H58 VanDerWaalsContact CB-CD2 3.41Å; K56-H58 WeakPolarHBondContact CB-CD2 3.41Å; K56-H58 WeakPolarHBondContact CD-NE2 3.37Å; K56-H58 PolarHBondContact O-N 2.84Å
57	M	49.4	Very low	67.4	Low	120 Å²	120	74.8 Å²	74.8	59%	0.591	40%	0.402	S	S	*	.			trans	-68.5	60.9	166.7	-78.3	-165	-78.5	0	0	106.7	L52 V55 M59	L52-M57 HydrophobicContact CD1-CE 3.44Å; L52-M57 VanDerWaalsContact CD1-CE 3.44Å; L52-M57 HydrophobicContact CD2-CE 4.23Å; L52-M57 HydrophobicContact CG-CE 4.37Å; V55-M57 HydrophobicContact CG1-CG 4.36Å; V55-M57 PolarHBondContact O-N 3.39Å; M57-M59 PolarHBondContact O-N 3.4Å
58	H	50.9	Low	68.4	Low	130 Å²	130	70.9 Å²	70.9	60%	0.602	39%	0.385	S	S	*	.			trans	-63.7	82.1	153.1	-73.2	-52.8	0	0	0	104	K56 L60	K56-H58 VanDerWaalsContact CB-CD2 3.41Å; K56-H58 WeakPolarHBondContact CB-CD2 3.41Å; K56-H58 WeakPolarHBondContact CD-NE2 3.37Å; K56-H58 PolarHBondContact O-N 2.84Å; H58-L60 PolarHBondContact O-N 3.27Å
59	M	57.4	Low	69.5	Low	122 Å²	122	68.7 Å²	68.7	60%	0.601	37%	0.372	S	S	*	.			trans	-58.4	91.1	167.2	-70.7	-174.2	-81.9	0	0	105.1	M57 K61	M57-M59 PolarHBondContact O-N 3.4Å; M59-K61 WeakPolarHBondContact O-CG 3.29Å; M59-K61 PolarHBondContact O-N 2.79Å
60	L	59.4	Low	70.5	Confident	106 Å²	106	65.3 Å²	65.3	56%	0.555	35%	0.348	S	S	*	.			trans	-69.6	89.9	171.7	-71.1	175.5	0	0	0	105.5	H58 S90	H58-L60 PolarHBondContact O-N 3.27Å; L60-S90 CarbonylContact O-C 3.59Å; L60-S90 PolarHBondContact O-OG 3.39Å
61	K	73.4	Confident	71.3	Confident	76 Å²	76	63.5 Å²	63.5	33%	0.33	34%	0.339	S	S	.	.			trans	-92.7	134	178.4	51.8	179.4	168.5	-168	0	108.4	M59 G116 S165	M59-K61 WeakPolarHBondContact O-CG 3.29Å; M59-K61 PolarHBondContact O-N 2.79Å; K61-G116 VanDerWaalsContact CD-CA 3.43Å; K61-G116 WeakPolarHBondContact CD-O 3.43Å; K61-G116 VanDerWaalsContact NZ-C 3.26Å; K61-S165 PolarHBondContact NZ-O 3.11Å; K61-S165 VanDerWaalsContact NZ-O 3.14Å; K61-S165 PolarHBondContact NZ-OG 2.83Å
62	G	75.2	Confident	72.1	Confident	2 Å²	2	59.1 Å²	59.1	2%	0.021	33%	0.326	C	S	.	.			trans	-119.2	126.4	175	0	0	0	0	0	109.9	S90 K102 S214 G253	G62-S90 PolarHBondContact N-OG 3.29Å; G62-S90 VanDerWaalsContact N-OG 3.13Å; G62-K102 PolarHBondContact O-NZ 3.3Å; G62-S214 WeakPolarHBondContact CA-OG 3.44Å; G62-G253 CarbonylContact C-O 3.52Å; G62-G253 VanDerWaalsContact CA-C 3.46Å; G62-G253 WeakPolarHBondContact CA-O 3.34Å
63	T	87.5	Confident	73.3	Confident	13 Å²	13	61.2 Å²	61.2	8%	0.08	33%	0.332	C	S	.	.			trans	-156.4	144.7	179.2	-68.9	0	0	0	0	110	T65 K102 L114 A115 G213 S214 G215	T63-T65 HydrophobicContact CG2-CG2 3.51Å; T63-K102 VanDerWaalsContact CA-NZ 3.35Å; T63-K102 HydrophobicContact CG2-CD 3.57Å; T63-K102 PolarHBondContact OG1-NZ 2.76Å; T63-L114 WeakPolarHBondContact CG2-O 3.33Å; T63-A115 HydrophobicContact CG2-CB 4.04Å; T63-G213 CarbonylContact O-C 3.5Å; T63-G213 WeakPolarHBondContact O-CA 3.47Å; T63-S214 PolarHBondContact N-OG 2.7Å; T63-S214 VanDerWaalsContact N-OG 3.08Å; T63-S214 PolarHBondContact O-N 2.67Å; T63-S214 PolarHBondContact O-OG 3.11Å; T63-G215 PolarHBondContact O-N 3.14Å
64	T	91.8	Very high	75.2	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.4	159.3	-58	0	0	0	0	109.1	V85 D86 G215 A219 I244 A247 S254	T64-V85 WeakPolarHBondContact O-CA 3.34Å; T64-D86 PolarHBondContact N-OD1 3.01Å; T64-D86 PolarHBondContact O-N 3.39Å; T64-D86 VanDerWaalsContact O-N 3.13Å; T64-D86 VanDerWaalsContact O-OD1 3.12Å; T64-G215 WeakPolarHBondContact OG1-CA 3.28Å; T64-G215 PolarHBondContact OG1-N 2.8Å; T64-A219 HydrophobicContact CG2-CB 4Å; T64-I244 HydrophobicContact CG2-CD1 3.56Å; T64-A247 HydrophobicContact CG2-CB 3.7Å; T64-S254 PolarHBondContact N-OG 3.1Å; T64-S254 WeakPolarHBondContact OG1-CB 3.21Å; T64-S254 PolarHBondContact OG1-OG 2.97Å
65	T	91.8	Very high	76.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.7	166.5	83.3	0	0	0	0	109.4	T63 A84 V85 T113 A115 I169 S211 T212	T63-T65 HydrophobicContact CG2-CG2 3.51Å; T65-A84 CarbonylContact C-O 3.54Å; T65-V85 HydrophobicContact CG2-CB 4.35Å; T65-V85 HydrophobicContact CG2-CG1 3.78Å; T65-T113 PolarHBondContact OG1-OG1 3.04Å; T65-A115 HydrophobicContact CG2-CB 4.23Å; T65-I169 WeakPolarHBondContact OG1-CD1 3.4Å; T65-S211 CarbonylContact O-C 3.55Å; T65-S211 WeakPolarHBondContact O-CA 3.49Å; T65-S211 WeakPolarHBondContact O-CB 3.36Å; T65-S211 PolarHBondContact O-OG 3.2Å; T65-T212 PolarHBondContact N-O 3.07Å; T65-T212 PolarHBondContact O-N 2.79Å; T65-T212 PolarHBondContact OG1-OG1 3.31Å
66	L	92.2	Very high	78.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.2	179.3	175	70.1	0	0	0	108.1	F68 V83 A84 V209 F210 M223 A243 I244	L66-F68 HydrophobicContact CD2-CD1 4.1Å; L66-F68 HydrophobicContact CD2-CE1 4.12Å; L66-F68 HydrophobicContact CG-CD1 4.14Å; L66-V83 CarbonylContact O-C 3.5Å; L66-V83 VanDerWaalsContact O-CA 3.3Å; L66-V83 WeakPolarHBondContact O-CA 3.24Å; L66-A84 PolarHBondContact N-O 3.18Å; L66-A84 PolarHBondContact O-N 3.43Å; L66-V209 HydrophobicContact CD1-CG1 4.34Å; L66-F210 CarbonylContact C-O 3.58Å; L66-F210 WeakPolarHBondContact CA-O 3.34Å; L66-M223 HydrophobicContact CD1-CE 4.33Å; L66-M223 HydrophobicContact CD1-CG 3.72Å; L66-M223 HydrophobicContact CD1-SD 4.06Å; L66-M223 HydrophobicContact CD2-CG 4.25Å; L66-M223 HydrophobicContact CD2-SD 3.73Å; L66-M223 HydrophobicContact CG-SD 4.49Å; L66-A243 HydrophobicContact CD2-CB 3.66Å; L66-I244 HydrophobicContact CB-CD1 3.7Å; L66-I244 HydrophobicContact CB-CG1 4.41Å
67	G	91	Very high	79.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.4	167.8	0	0	0	0	0	109.8	I82 L195 V209 F210	G67-I82 CarbonylContact C-O 3.54Å; G67-I82 VanDerWaalsContact CA-O 3.23Å; G67-I82 WeakPolarHBondContact CA-O 3.43Å; G67-L195 VanDerWaalsContact O-CD2 3.24Å; G67-L195 WeakPolarHBondContact O-CD2 3.41Å; G67-V209 WeakPolarHBondContact O-CA 3.45Å; G67-F210 PolarHBondContact N-O 3.42Å; G67-F210 PolarHBondContact O-N 3.46Å
68	F	91.2	Very high	81.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152.6	171	64.1	-89.6	0	0	0	113.7	L66 Y70 V81 I82 K208 V209 M223 Y227 A236 L239 A240	L66-F68 HydrophobicContact CD2-CD1 4.1Å; L66-F68 HydrophobicContact CD2-CE1 4.12Å; L66-F68 HydrophobicContact CG-CD1 4.14Å; F68-Y70 HydrophobicContact CE2-CD1 4.2Å; F68-V81 VanDerWaalsContact O-CA 3.3Å; F68-V81 WeakPolarHBondContact O-CA 3.21Å; F68-V81 VanDerWaalsContact O-CG1 3.27Å; F68-V81 WeakPolarHBondContact O-CG1 3.4Å; F68-I82 HydrophobicContact CE1-CB 4.07Å; F68-I82 HydrophobicContact CE1-CG2 4.36Å; F68-I82 HydrophobicContact CE2-CB 4.32Å; F68-I82 HydrophobicContact CE2-CD1 4.31Å; F68-I82 HydrophobicContact CE2-CG1 4.38Å; F68-I82 HydrophobicContact CZ-CB 3.93Å; F68-I82 HydrophobicContact CZ-CD1 4.01Å; F68-I82 HydrophobicContact CZ-CG1 4.25Å; F68-I82 HydrophobicContact CZ-CG2 4.43Å; F68-I82 PolarHBondContact N-O 3.26Å; F68-I82 PolarHBondContact O-N 2.77Å; F68-K208 CarbonylContact C-O 3.48Å; F68-K208 WeakPolarHBondContact CA-O 3.45Å; F68-K208 WeakPolarHBondContact CB-O 3.46Å; F68-V209 HydrophobicContact CB-CB 4.28Å; F68-V209 HydrophobicContact CB-CG1 4.25Å; F68-V209 HydrophobicContact CB-CG2 3.85Å; F68-M223 HydrophobicContact CB-CE 3.95Å; F68-M223 HydrophobicContact CD1-CE 3.4Å; F68-M223 HydrophobicContact CD1-SD 4.27Å; F68-M223 HydrophobicContact CD2-CE 4.31Å; F68-M223 HydrophobicContact CE1-CE 3.88Å; F68-M223 HydrophobicContact CE1-SD 4.35Å; F68-M223 HydrophobicContact CG-CE 3.63Å; F68-Y227 HydrophobicContact CB-CE2 4.15Å; F68-Y227 HydrophobicContact CD2-CD2 4.04Å; F68-Y227 AromaticContact CD2-CE2 3.75Å; F68-Y227 HydrophobicContact CD2-CE2 3.75Å; F68-Y227 HydrophobicContact CG-CD2 4.41Å; F68-Y227 HydrophobicContact CG-CE2 4.25Å; F68-A236 HydrophobicContact CE2-CB 4.13Å; F68-A236 HydrophobicContact CZ-CB 4.39Å; F68-A236 WeakPolarHBondContact CZ-O 3.47Å; F68-L239 HydrophobicContact CZ-CD2 4.34Å; F68-L239 HydrophobicContact CZ-CG 4.5Å; F68-A240 HydrophobicContact CE1-CB 3.68Å; F68-A240 HydrophobicContact CZ-CB 4.03Å
69	V	88.9	Confident	82.5	Confident	22 Å²	22	47.7 Å²	47.7	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.1	176.3	-172.8	0	0	0	0	109.2	G80 V81 M193 L195 K208 Y227	V69-G80 WeakPolarHBondContact CA-O 3.34Å; V69-V81 HydrophobicContact CB-CG2 4.3Å; V69-V81 HydrophobicContact CG1-CG2 4.21Å; V69-V81 HydrophobicContact CG2-CG1 4.39Å; V69-V81 HydrophobicContact CG2-CG2 3.81Å; V69-M193 HydrophobicContact CG1-CB 3.88Å; V69-M193 HydrophobicContact CG1-SD 3.85Å; V69-L195 HydrophobicContact CG2-CB 4.11Å; V69-K208 PolarHBondContact N-O 3.42Å; V69-Y227 WeakPolarHBondContact O-CE2 3.33Å; V69-Y227 PolarHBondContact O-OH 3.49Å
70	Y	88.5	Confident	83.6	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.6	173	72.3	-72.4	0	0	0	110.3	F68 G79 G80 I82 M231 D233 A236	F68-Y70 HydrophobicContact CE2-CD1 4.2Å; Y70-G79 WeakPolarHBondContact O-CA 3.38Å; Y70-G80 VanDerWaalsContact CD1-O 3.29Å; Y70-G80 WeakPolarHBondContact CD1-O 3.44Å; Y70-G80 PolarHBondContact N-O 3.03Å; Y70-G80 PolarHBondContact O-N 3Å; Y70-I82 HydrophobicContact CD1-CD1 4.46Å; Y70-I82 HydrophobicContact CD1-CG1 4.19Å; Y70-I82 HydrophobicContact CE1-CD1 3.88Å; Y70-I82 HydrophobicContact CE1-CG1 3.63Å; Y70-M231 HydrophobicContact CD2-CB 4.18Å; Y70-D233 WeakPolarHBondContact CE2-OD1 3.29Å; Y70-D233 PolarHBondContact OH-OD1 3.35Å; Y70-D233 VanDerWaalsContact OH-OD1 3.05Å; Y70-A236 HydrophobicContact CD1-CB 3.92Å; Y70-A236 HydrophobicContact CD2-CB 3.8Å; Y70-A236 HydrophobicContact CE1-CB 3.86Å; Y70-A236 HydrophobicContact CE2-CB 3.68Å; Y70-A236 HydrophobicContact CG-CB 3.9Å
71	E	86.6	Confident	84.8	Confident	103 Å²	103	36.8 Å²	36.8	48%	0.481	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	148.9	172.1	-66.7	167.4	-160.9	0	0	108.9	P229 Q230 M231	E71-P229 PolarHBondContact N-O 2.85Å; E71-Q230 HydrophobicContact CB-CG 4.2Å; E71-Q230 WeakPolarHBondContact O-CA 3.4Å; E71-M231 PolarHBondContact O-N 2.84Å
72	G	85.9	Confident	85.4	Confident	25 Å²	25	33.2 Å²	33.2	26%	0.258	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	133.6	177.5	0	0	0	0	0	111.8	D77	G72-D77 WeakPolarHBondContact CA-O 3.39Å
73	K	88.6	Confident	86	Confident	110 Å²	110	33.1 Å²	33.1	48%	0.478	18%	0.182	S	C	.	.	S	Bend	trans	-80.9	-35.8	179.8	-176.4	-177.4	-179.9	-172.9	0	112.9	M231 T232 E235	K73-M231 VanDerWaalsContact CB-C 3.49Å; K73-M231 PolarHBondContact N-O 2.85Å; K73-T232 HydrophobicContact CB-CG2 4.28Å; K73-T232 HydrophobicContact CD-CG2 3.95Å; K73-E235 IonicContact NZ-OE1 3.11Å; K73-E235 PolarHBondContact NZ-OE1 3.2Å; K73-E235 IonicContact NZ-OE2 2.92Å
74	T	87	Confident	86	Confident	58 Å²	58	32.5 Å²	32.5	36%	0.356	18%	0.178	S	C	.	.	S	Bend	trans	-111	161.7	175.9	73.1	0	0	0	0	110.9	N76 D77	T74-N76 PolarHBondContact O-N 3.09Å; T74-N76 PolarHBondContact OG1-N 3.24Å; T74-D77 VanDerWaalsContact CB-OD2 3.29Å; T74-D77 WeakPolarHBondContact CB-OD2 3.22Å; T74-D77 WeakPolarHBondContact CG2-OD2 3.46Å; T74-D77 PolarHBondContact N-OD2 3.3Å; T74-D77 PolarHBondContact O-N 3.17Å; T74-D77 VanDerWaalsContact O-O 3.09Å; T74-D77 VanDerWaalsContact OG1-CG 3.27Å; T74-D77 PolarHBondContact OG1-N 3.45Å; T74-D77 PolarHBondContact OG1-OD2 3.33Å
75	P	80.4	Confident	85.9	Confident	137 Å²	137	32.5 Å²	32.5	89%	0.89	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.1	174.3	-24.9	34.9	0	0	0	114.5
76	N	81.7	Confident	85.9	Confident	140 Å²	140	32.5 Å²	32.5	75%	0.749	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-24.7	175.5	-65.1	-21.1	0	0	0	112.3	T74	T74-N76 PolarHBondContact O-N 3.09Å; T74-N76 PolarHBondContact OG1-N 3.24Å
77	D	79.7	Confident	85.7	Confident	19 Å²	19	32.7 Å²	32.7	10%	0.102	18%	0.179	C	C	.	.			trans	-82.6	123.3	175.6	-60	-63.3	0	0	0	108.6	G72 T74 T232 D233	G72-D77 WeakPolarHBondContact CA-O 3.39Å; T74-D77 VanDerWaalsContact CB-OD2 3.29Å; T74-D77 WeakPolarHBondContact CB-OD2 3.22Å; T74-D77 WeakPolarHBondContact CG2-OD2 3.46Å; T74-D77 PolarHBondContact N-OD2 3.3Å; T74-D77 PolarHBondContact O-N 3.17Å; T74-D77 VanDerWaalsContact O-O 3.09Å; T74-D77 VanDerWaalsContact OG1-CG 3.27Å; T74-D77 PolarHBondContact OG1-N 3.45Å; T74-D77 PolarHBondContact OG1-OD2 3.33Å; D77-T232 WeakPolarHBondContact OD1-CA 3.39Å; D77-T232 WeakPolarHBondContact OD1-CB 3.41Å; D77-D233 PolarHBondContact OD1-N 2.96Å
78	K	74.5	Confident	85.6	Confident	66 Å²	66	35.8 Å²	35.8	29%	0.287	19%	0.191	S	C	.	.			trans	-92.4	-11.7	-176.4	-56.3	-178.8	-173.6	-171.6	0	112.5	Q264 W265 D266 D267	K78-Q264 HydrophobicContact CD-CG 4.49Å; K78-W265 HydrophobicContact CB-CB 3.68Å; K78-W265 HydrophobicContact CB-CG 4.07Å; K78-W265 HydrophobicContact CD-CB 3.47Å; K78-W265 VanDerWaalsContact CD-CB 3.47Å; K78-W265 WeakPolarHBondContact CD-O 3.42Å; K78-W265 VanDerWaalsContact CE-O 3.31Å; K78-W265 WeakPolarHBondContact CE-O 3.36Å; K78-W265 HydrophobicContact CG-CB 4.18Å; K78-W265 PolarHBondContact NZ-O 2.95Å; K78-D266 IonicContact NZ-OD1 3.56Å; K78-D267 IonicContact NZ-OD1 3.74Å; K78-D267 PolarHBondContact NZ-OD1 2.95Å
79	G	79.9	Confident	85.5	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.			trans	67.7	175.6	-173.8	0	0	0	0	0	111.9	Y70 D233	Y70-G79 WeakPolarHBondContact O-CA 3.38Å; G79-D233 PolarHBondContact N-OD1 3.08Å
80	G	80.8	Confident	85.3	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-157.4	-175.7	0	0	0	0	0	113.5	V69 Y70 M193	V69-G80 WeakPolarHBondContact CA-O 3.34Å; Y70-G80 VanDerWaalsContact CD1-O 3.29Å; Y70-G80 WeakPolarHBondContact CD1-O 3.44Å; Y70-G80 PolarHBondContact N-O 3.03Å; Y70-G80 PolarHBondContact O-N 3Å; G80-M193 VanDerWaalsContact C-SD 3.57Å; G80-M193 WeakPolarHBondContact CA-SD 3.4Å
81	V	83.6	Confident	85	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138	170.3	-174.2	0	0	0	0	108	F68 V69 W171 M193 L195 R263	F68-V81 VanDerWaalsContact O-CA 3.3Å; F68-V81 WeakPolarHBondContact O-CA 3.21Å; F68-V81 VanDerWaalsContact O-CG1 3.27Å; F68-V81 WeakPolarHBondContact O-CG1 3.4Å; V69-V81 HydrophobicContact CB-CG2 4.3Å; V69-V81 HydrophobicContact CG1-CG2 4.21Å; V69-V81 HydrophobicContact CG2-CG1 4.39Å; V69-V81 HydrophobicContact CG2-CG2 3.81Å; V81-W171 HydrophobicContact CB-CD2 4.06Å; V81-W171 HydrophobicContact CB-CG 4.29Å; V81-W171 HydrophobicContact CB-CZ2 3.65Å; V81-W171 HydrophobicContact CG1-CD2 3.94Å; V81-W171 HydrophobicContact CG1-CG 3.81Å; V81-W171 HydrophobicContact CG1-CZ2 4.43Å; V81-W171 HydrophobicContact CG2-CZ2 4.2Å; V81-M193 HydrophobicContact CG2-CB 3.84Å; V81-M193 HydrophobicContact CG2-CG 4.23Å; V81-M193 HydrophobicContact CG2-SD 4.24Å; V81-L195 HydrophobicContact CG1-CD1 4.19Å; V81-R263 PolarHBondContact O-N 3.18Å
82	I	86.2	Confident	84.7	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.2	173.6	-56.4	-168.2	0	0	0	108	G67 F68 Y70 A236 K237 A240	G67-I82 CarbonylContact C-O 3.54Å; G67-I82 VanDerWaalsContact CA-O 3.23Å; G67-I82 WeakPolarHBondContact CA-O 3.43Å; F68-I82 HydrophobicContact CE1-CB 4.07Å; F68-I82 HydrophobicContact CE1-CG2 4.36Å; F68-I82 HydrophobicContact CE2-CB 4.32Å; F68-I82 HydrophobicContact CE2-CD1 4.31Å; F68-I82 HydrophobicContact CE2-CG1 4.38Å; F68-I82 HydrophobicContact CZ-CB 3.93Å; F68-I82 HydrophobicContact CZ-CD1 4.01Å; F68-I82 HydrophobicContact CZ-CG1 4.25Å; F68-I82 HydrophobicContact CZ-CG2 4.43Å; F68-I82 PolarHBondContact N-O 3.26Å; F68-I82 PolarHBondContact O-N 2.77Å; Y70-I82 HydrophobicContact CD1-CD1 4.46Å; Y70-I82 HydrophobicContact CD1-CG1 4.19Å; Y70-I82 HydrophobicContact CE1-CD1 3.88Å; Y70-I82 HydrophobicContact CE1-CG1 3.63Å; I82-A236 HydrophobicContact CD1-CB 3.42Å; I82-A236 VanDerWaalsContact CD1-CB 3.42Å; I82-K237 HydrophobicContact CD1-CG 4.13Å; I82-A240 HydrophobicContact CG2-CB 3.52Å
83	V	87.5	Confident	84.5	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.7	169.8	177.8	0	0	0	0	107.5	L66 V85 I103 V111 T113 W171 G260 M261	L66-V83 CarbonylContact O-C 3.5Å; L66-V83 VanDerWaalsContact O-CA 3.3Å; L66-V83 WeakPolarHBondContact O-CA 3.24Å; V83-V85 HydrophobicContact CG1-CG1 4.5Å; V83-I103 HydrophobicContact CG1-CD1 4.21Å; V83-I103 HydrophobicContact CG1-CG1 4.32Å; V83-V111 HydrophobicContact CG2-CG2 4.3Å; V83-T113 HydrophobicContact CG1-CG2 3.33Å; V83-W171 HydrophobicContact CG2-CB 4.19Å; V83-W171 HydrophobicContact CG2-CD2 4.27Å; V83-W171 HydrophobicContact CG2-CE3 3.83Å; V83-W171 HydrophobicContact CG2-CG 4.41Å; V83-G260 CarbonylContact O-C 3.57Å; V83-G260 VanDerWaalsContact O-CA 3.25Å; V83-G260 WeakPolarHBondContact O-CA 3.23Å; V83-M261 PolarHBondContact N-O 2.6Å; V83-M261 PolarHBondContact O-N 3.05Å; V83-M261 VanDerWaalsContact O-O 3.08Å
84	A	88.9	Confident	84.4	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.6	177.5	0	0	0	0	0	110.6	T65 L66 A240 I244 T259	T65-A84 CarbonylContact C-O 3.54Å; L66-A84 PolarHBondContact N-O 3.18Å; L66-A84 PolarHBondContact O-N 3.43Å; A84-A240 HydrophobicContact CB-CB 4.05Å; A84-I244 HydrophobicContact CB-CD1 4.43Å; A84-I244 HydrophobicContact CB-CG1 3.65Å; A84-T259 WeakPolarHBondContact CA-O 3.41Å
85	V	89.8	Confident	84.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.3	-177.4	-55.8	0	0	0	0	110.8	T64 T65 V83 K102 I103 T113 T259	T64-V85 WeakPolarHBondContact O-CA 3.34Å; T65-V85 HydrophobicContact CG2-CB 4.35Å; T65-V85 HydrophobicContact CG2-CG1 3.78Å; V83-V85 HydrophobicContact CG1-CG1 4.5Å; V85-K102 HydrophobicContact CB-CB 3.95Å; V85-K102 HydrophobicContact CG1-CB 4.21Å; V85-K102 HydrophobicContact CG2-CB 3.91Å; V85-I103 HydrophobicContact CB-CG1 4.4Å; V85-I103 HydrophobicContact CG1-CD1 4.19Å; V85-I103 HydrophobicContact CG1-CG1 3.69Å; V85-I103 HydrophobicContact CG2-CD1 3.91Å; V85-I103 HydrophobicContact CG2-CG1 3.73Å; V85-T113 HydrophobicContact CG1-CG2 4.09Å; V85-T259 PolarHBondContact N-O 2.85Å; V85-T259 PolarHBondContact O-N 3.28Å
86	D	91.2	Very high	84.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.			trans	-83.5	170	163.7	83.7	-60.1	0	0	0	111.1	T64 R88 K102 I244 T248 S254 G255	T64-D86 PolarHBondContact N-OD1 3.01Å; T64-D86 PolarHBondContact O-N 3.39Å; T64-D86 VanDerWaalsContact O-N 3.13Å; T64-D86 VanDerWaalsContact O-OD1 3.12Å; D86-R88 PolarHBondContact OD2-N 3.16Å; D86-K102 VanDerWaalsContact O-CD 3.28Å; D86-K102 WeakPolarHBondContact O-CD 3.27Å; D86-K102 WeakPolarHBondContact O-CE 3.3Å; D86-K102 IonicContact OD1-NZ 3.92Å; D86-K102 PolarHBondContact OD1-NZ 2.84Å; D86-K102 IonicContact OD2-NZ 3.83Å; D86-K102 PolarHBondContact OD2-NZ 3.02Å; D86-I244 HydrophobicContact CB-CG2 4.23Å; D86-T248 HydrophobicContact CB-CG2 3.95Å; D86-S254 WeakPolarHBondContact OD2-CA 3.36Å; D86-G255 PolarHBondContact OD2-N 3.05Å
87	S	88.3	Confident	85.1	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.021	21%	0.213	C	C	.	.			trans	-119.8	9.1	-177.2	70.3	0	0	0	0	114.6	S98 T99 V100 G255 L257	S87-S98 CarbonylContact O-C 2.8Å; S87-S98 PolarHBondContact OG-O 3.03Å; S87-T99 PolarHBondContact O-N 2.95Å; S87-T99 VanDerWaalsContact O-N 3.12Å; S87-V100 VanDerWaalsContact CA-O 3.29Å; S87-V100 WeakPolarHBondContact CA-O 3.32Å; S87-V100 WeakPolarHBondContact CB-O 3.04Å; S87-V100 PolarHBondContact O-N 2.8Å; S87-G255 PolarHBondContact N-O 2.8Å; S87-L257 PolarHBondContact N-O 2.81Å; S87-L257 PolarHBondContact OG-N 2.85Å; S87-L257 PolarHBondContact OG-O 3.03Å
88	R	89.2	Confident	85.4	Confident	65 Å²	65	42.4 Å²	42.4	25%	0.245	23%	0.23	C	C	.	.			trans	-79.8	136.1	177.4	179.8	175.1	-72.1	167.3	4.4	111.1	D86 V95 S97 K102 I252 G253 S254 G255	D86-R88 PolarHBondContact OD2-N 3.16Å; R88-V95 HydrophobicContact CG-CG1 4.08Å; R88-S97 CarbonylContact C-O 3.44Å; R88-S97 WeakPolarHBondContact CA-O 3.41Å; R88-K102 WeakPolarHBondContact O-CE 3.45Å; R88-K102 PolarHBondContact O-NZ 2.89Å; R88-I252 PolarHBondContact NH1-O 2.66Å; R88-I252 VanDerWaalsContact NH1-O 3.1Å; R88-G253 WeakPolarHBondContact CD-O 3.24Å; R88-S254 PolarHBondContact NH1-O 2.71Å; R88-G255 WeakPolarHBondContact CB-O 3.38Å; R88-G255 PolarHBondContact N-O 2.8Å
89	A	88.3	Confident	85.9	Confident	25 Å²	25	44.1 Å²	44.1	21%	0.207	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.8	159.4	0	0	0	0	0	108.8	S96 S97 V100	A89-S96 VanDerWaalsContact C-OG 3.22Å; A89-S96 WeakPolarHBondContact CB-OG 3.35Å; A89-S96 PolarHBondContact O-N 2.85Å; A89-S96 PolarHBondContact O-OG 2.92Å; A89-S97 PolarHBondContact N-O 3.1Å; A89-S97 PolarHBondContact O-N 2.92Å; A89-V100 HydrophobicContact CB-CG2 3.64Å
90	S	84.5	Confident	86.2	Confident	23 Å²	23	46.3 Å²	46.3	16%	0.161	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.1	179.2	59.7	0	0	0	0	110.4	L60 G62 Y94	L60-S90 CarbonylContact O-C 3.59Å; L60-S90 PolarHBondContact O-OG 3.39Å; G62-S90 PolarHBondContact N-OG 3.29Å; G62-S90 VanDerWaalsContact N-OG 3.13Å; S90-Y94 CarbonylContact C-O 3.57Å; S90-Y94 WeakPolarHBondContact CA-O 3.04Å
91	S	82.3	Confident	86.4	Confident	78 Å²	78	51.5 Å²	51.5	55%	0.545	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	81.2	170.4	-63.3	0	0	0	0	107.5	Y94	S91-Y94 PolarHBondContact N-O 3.4Å
92	G	79.4	Confident	86.6	Confident	28 Å²	28	51.8 Å²	51.8	29%	0.289	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-135.7	-168.5	0	0	0	0	0	111.2	Y94	G92-Y94 VanDerWaalsContact C-N 3.28Å
93	K	83.4	Confident	86.6	Confident	216 Å²	216	52.2 Å²	52.2	94%	0.939	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-14.8	172.2	-63.9	179.7	179.8	179.4	0	112.6
94	Y	86.2	Confident	86.4	Confident	169 Å²	169	53.4 Å²	53.4	66%	0.663	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.1	-179.7	-179.6	-105.1	0	0	0	110.6	S90 S91 G92 S96	S90-Y94 CarbonylContact C-O 3.57Å; S90-Y94 WeakPolarHBondContact CA-O 3.04Å; S91-Y94 PolarHBondContact N-O 3.4Å; G92-Y94 VanDerWaalsContact C-N 3.28Å; Y94-S96 PolarHBondContact O-N 3.1Å
95	V	88.4	Confident	86.2	Confident	64 Å²	64	58.2 Å²	58.2	39%	0.388	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.2	171.7	177.1	0	0	0	0	107.9	R88	R88-V95 HydrophobicContact CG-CG1 4.08Å
96	S	86.7	Confident	85.8	Confident	53 Å²	53	58.2 Å²	58.2	37%	0.371	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-34.6	-177.7	57.9	0	0	0	0	112.6	A89 Y94	A89-S96 VanDerWaalsContact C-OG 3.22Å; A89-S96 WeakPolarHBondContact CB-OG 3.35Å; A89-S96 PolarHBondContact O-N 2.85Å; A89-S96 PolarHBondContact O-OG 2.92Å; Y94-S96 PolarHBondContact O-N 3.1Å
97	S	88.6	Confident	85.3	Confident	37 Å²	37	58.5 Å²	58.5	26%	0.259	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	150	174.1	176.1	0	0	0	0	110.6	R88 A89 T99	R88-S97 CarbonylContact C-O 3.44Å; R88-S97 WeakPolarHBondContact CA-O 3.41Å; A89-S97 PolarHBondContact N-O 3.1Å; A89-S97 PolarHBondContact O-N 2.92Å; S97-T99 PolarHBondContact OG-N 2.94Å; S97-T99 PolarHBondContact OG-OG1 2.7Å
98	S	85.6	Confident	84.7	Confident	63 Å²	63	63.9 Å²	63.9	44%	0.441	35%	0.347	S	S	.	.	S	Bend	trans	-111.7	9.8	174.8	59.9	0	0	0	0	112.9	S87	S87-S98 CarbonylContact O-C 2.8Å; S87-S98 PolarHBondContact OG-O 3.03Å
99	T	86	Confident	83.9	Confident	102 Å²	102	61 Å²	61	63%	0.626	34%	0.336	S	S	*	.			trans	-130.7	18.5	-171.9	58.3	0	0	0	0	113.2	S87 S97 M101	S87-T99 PolarHBondContact O-N 2.95Å; S87-T99 VanDerWaalsContact O-N 3.12Å; S97-T99 PolarHBondContact OG-N 2.94Å; S97-T99 PolarHBondContact OG-OG1 2.7Å; T99-M101 PolarHBondContact O-N 2.77Å
100	V	86.3	Confident	83.5	Confident	46 Å²	46	59.9 Å²	59.9	28%	0.279	33%	0.327	S	S	.	.			trans	-67.9	124.2	-179.1	179.4	0	0	0	0	110.3	S87 A89 K102	S87-V100 VanDerWaalsContact CA-O 3.29Å; S87-V100 WeakPolarHBondContact CA-O 3.32Å; S87-V100 WeakPolarHBondContact CB-O 3.04Å; S87-V100 PolarHBondContact O-N 2.8Å; A89-V100 HydrophobicContact CB-CG2 3.64Å; V100-K102 HydrophobicContact CG1-CG 4.12Å; V100-K102 PolarHBondContact O-N 2.88Å
101	M	84.1	Confident	83.5	Confident	109 Å²	109	59.2 Å²	59.2	54%	0.537	32%	0.322	S	S	.	.			trans	-79.6	106.6	172.7	-171.7	161	-74.6	0	0	109.5	T99 I103	T99-M101 PolarHBondContact O-N 2.77Å; M101-I103 VanDerWaalsContact C-N 3.33Å
102	K	87.1	Confident	83.8	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.026	30%	0.296	C	S	.	.			trans	-91.1	10.3	-178.7	-60.4	-173	-166.2	177.3	0	114.2	G62 T63 V85 D86 R88 V100 T113 L114	G62-K102 PolarHBondContact O-NZ 3.3Å; T63-K102 VanDerWaalsContact CA-NZ 3.35Å; T63-K102 HydrophobicContact CG2-CD 3.57Å; T63-K102 PolarHBondContact OG1-NZ 2.76Å; V85-K102 HydrophobicContact CB-CB 3.95Å; V85-K102 HydrophobicContact CG1-CB 4.21Å; V85-K102 HydrophobicContact CG2-CB 3.91Å; D86-K102 VanDerWaalsContact O-CD 3.28Å; D86-K102 WeakPolarHBondContact O-CD 3.27Å; D86-K102 WeakPolarHBondContact O-CE 3.3Å; D86-K102 IonicContact OD1-NZ 3.92Å; D86-K102 PolarHBondContact OD1-NZ 2.84Å; D86-K102 IonicContact OD2-NZ 3.83Å; D86-K102 PolarHBondContact OD2-NZ 3.02Å; R88-K102 WeakPolarHBondContact O-CE 3.45Å; R88-K102 PolarHBondContact O-NZ 2.89Å; V100-K102 HydrophobicContact CG1-CG 4.12Å; V100-K102 PolarHBondContact O-N 2.88Å; K102-T113 CarbonylContact O-C 3.59Å; K102-T113 WeakPolarHBondContact O-CA 3.2Å; K102-L114 HydrophobicContact CB-CB 4.05Å; K102-L114 HydrophobicContact CG-CB 4.49Å; K102-L114 PolarHBondContact O-N 3.25Å
103	I	86	Confident	84.3	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.6	173.3	-57.2	169.3	0	0	0	108	V83 V85 M101 V111 S112 T259 M261	V83-I103 HydrophobicContact CG1-CD1 4.21Å; V83-I103 HydrophobicContact CG1-CG1 4.32Å; V85-I103 HydrophobicContact CB-CG1 4.4Å; V85-I103 HydrophobicContact CG1-CD1 4.19Å; V85-I103 HydrophobicContact CG1-CG1 3.69Å; V85-I103 HydrophobicContact CG2-CD1 3.91Å; V85-I103 HydrophobicContact CG2-CG1 3.73Å; M101-I103 VanDerWaalsContact C-N 3.33Å; I103-V111 HydrophobicContact CG2-CB 3.91Å; I103-V111 HydrophobicContact CG2-CG2 3.85Å; I103-S112 WeakPolarHBondContact CA-O 3.39Å; I103-T259 HydrophobicContact CD1-CG2 4.33Å; I103-M261 HydrophobicContact CB-CE 4.07Å; I103-M261 HydrophobicContact CB-SD 4.17Å; I103-M261 HydrophobicContact CD1-CB 4.24Å; I103-M261 HydrophobicContact CD1-CE 4.22Å; I103-M261 HydrophobicContact CD1-CG 3.65Å; I103-M261 HydrophobicContact CD1-SD 3.89Å; I103-M261 HydrophobicContact CG2-CE 3.88Å; I103-M261 HydrophobicContact CG2-SD 3.48Å; I103-M261 WeakPolarHBondContact CG2-SD 3.17Å
104	I	84.7	Confident	84.5	Confident	26 Å²	26	44.7 Å²	44.7	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.1	175	-64.7	-172.1	0	0	0	108.6	L106 V111 S112 L114 Q122 L125	I104-L106 HydrophobicContact CG2-CD2 4.48Å; I104-L106 PolarHBondContact O-N 3.18Å; I104-V111 CarbonylContact O-C 3.53Å; I104-V111 WeakPolarHBondContact O-CA 3.5Å; I104-S112 PolarHBondContact N-O 3.45Å; I104-S112 PolarHBondContact O-N 3.13Å; I104-L114 HydrophobicContact CD1-CD1 3.84Å; I104-L114 HydrophobicContact CD1-CD2 3.63Å; I104-L114 HydrophobicContact CD1-CG 3.91Å; I104-L114 HydrophobicContact CG1-CD1 3.9Å; I104-L114 HydrophobicContact CG1-CD2 4.25Å; I104-L114 HydrophobicContact CG1-CG 3.99Å; I104-Q122 HydrophobicContact CD1-CB 4.46Å; I104-Q122 HydrophobicContact CD1-CG 4.29Å; I104-L125 HydrophobicContact CB-CD1 4.48Å; I104-L125 HydrophobicContact CD1-CB 4.05Å; I104-L125 HydrophobicContact CD1-CD1 4.09Å; I104-L125 HydrophobicContact CG2-CB 4.32Å
105	E	83.2	Confident	84.5	Confident	102 Å²	102	36.7 Å²	36.7	48%	0.477	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.5	170.7	-65.1	167.9	-168.1	0	0	109.7	V111 I273	E105-V111 HydrophobicContact CG-CG1 4.39Å; E105-I273 HydrophobicContact CG-CD1 4.37Å; E105-I273 WeakPolarHBondContact OE1-CD1 3.04Å
106	L	83.2	Confident	84.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-52.4	177.4	-65.7	179.3	0	0	0	110.6	I104 M110 L125 L128 S129 K133	I104-L106 HydrophobicContact CG2-CD2 4.48Å; I104-L106 PolarHBondContact O-N 3.18Å; L106-M110 HydrophobicContact CB-CB 4.07Å; L106-M110 HydrophobicContact CB-CG 4.15Å; L106-M110 HydrophobicContact CB-SD 4.12Å; L106-M110 HydrophobicContact CD1-CG 3.97Å; L106-M110 HydrophobicContact CD1-SD 3.55Å; L106-M110 VanDerWaalsContact CD1-SD 3.55Å; L106-M110 HydrophobicContact CG-SD 4.48Å; L106-M110 PolarHBondContact N-O 3.28Å; L106-L125 HydrophobicContact CD2-CB 4.21Å; L106-L125 HydrophobicContact CD2-CD2 4.37Å; L106-L125 WeakPolarHBondContact CD2-O 3.44Å; L106-L128 HydrophobicContact CD1-CD2 3.66Å; L106-L128 HydrophobicContact CD1-CG 4.35Å; L106-L128 HydrophobicContact CD2-CB 4.35Å; L106-L128 HydrophobicContact CD2-CD2 4.12Å; L106-L128 HydrophobicContact CD2-CG 4.34Å; L106-S129 WeakPolarHBondContact O-CB 3.44Å; L106-S129 PolarHBondContact O-OG 2.93Å; L106-K133 WeakPolarHBondContact O-CE 3.4Å
107	T	79.5	Confident	84.2	Confident	6 Å²	6	32 Å²	32	4%	0.037	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	174.7	174	65.8	0	0	0	0	108.8	C109 M110 C132 I143	T107-C109 PolarHBondContact O-N 2.82Å; T107-C109 PolarHBondContact OG1-SG 3.26Å; T107-C109 VanDerWaalsContact OG1-SG 3.34Å; T107-M110 PolarHBondContact N-O 3.31Å; T107-M110 PolarHBondContact O-N 2.97Å; T107-M110 VanDerWaalsContact O-N 3.09Å; T107-M110 WeakPolarHBondContact OG1-CB 3.35Å; T107-M110 PolarHBondContact OG1-N 3.47Å; T107-C132 HydrophobicContact CG2-CB 3.54Å; T107-I143 HydrophobicContact CG2-CG2 4.12Å
108	D	75.1	Confident	83.9	Confident	115 Å²	115	33.5 Å²	33.5	62%	0.615	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.1	-179.8	-57.9	-21.8	0	0	0	112.5	F271	D108-F271 HydrophobicContact CB-CE1 4.38Å; D108-F271 HydrophobicContact CB-CZ 4.17Å; D108-F271 WeakPolarHBondContact O-CD1 3.3Å; D108-F271 WeakPolarHBondContact O-CE1 3.3Å
109	C	73.7	Confident	83.8	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.034	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-1.4	179.9	57	0	0	0	0	115.2	T107 L172 F173 F271	T107-C109 PolarHBondContact O-N 2.82Å; T107-C109 PolarHBondContact OG1-SG 3.26Å; T107-C109 VanDerWaalsContact OG1-SG 3.34Å; C109-L172 HydrophobicContact CB-CD1 3.92Å; C109-L172 WeakPolarHBondContact O-CD1 3.44Å; C109-L172 WeakPolarHBondContact SG-CD1 3.29Å; C109-F173 WeakPolarHBondContact CB-O 3.32Å; C109-F173 PolarHBondContact O-N 3.46Å; C109-F271 HydrophobicContact CB-CE1 4.06Å
110	M	79.3	Confident	83.7	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.4	-170.5	-161.5	-177.6	-56.8	0	0	111.9	L106 T107 I143 S148 W171 L172	L106-M110 HydrophobicContact CB-CB 4.07Å; L106-M110 HydrophobicContact CB-CG 4.15Å; L106-M110 HydrophobicContact CB-SD 4.12Å; L106-M110 HydrophobicContact CD1-CG 3.97Å; L106-M110 HydrophobicContact CD1-SD 3.55Å; L106-M110 VanDerWaalsContact CD1-SD 3.55Å; L106-M110 HydrophobicContact CG-SD 4.48Å; L106-M110 PolarHBondContact N-O 3.28Å; T107-M110 PolarHBondContact N-O 3.31Å; T107-M110 PolarHBondContact O-N 2.97Å; T107-M110 VanDerWaalsContact O-N 3.09Å; T107-M110 WeakPolarHBondContact OG1-CB 3.35Å; T107-M110 PolarHBondContact OG1-N 3.47Å; M110-I143 HydrophobicContact CE-CG2 3.76Å; M110-S148 WeakPolarHBondContact SD-CB 3.31Å; M110-S148 PolarHBondContact SD-OG 3.02Å; M110-W171 WeakPolarHBondContact CA-O 3.35Å; M110-W171 WeakPolarHBondContact CG-O 3.36Å; M110-L172 HydrophobicContact CB-CD1 3.5Å; M110-L172 HydrophobicContact CE-CB 4.03Å; M110-L172 HydrophobicContact CE-CD1 3.56Å; M110-L172 HydrophobicContact CE-CD2 3.78Å; M110-L172 HydrophobicContact CE-CG 3.97Å; M110-L172 HydrophobicContact CG-CB 3.97Å; M110-L172 HydrophobicContact CG-CD1 3.87Å; M110-L172 HydrophobicContact CG-CG 4.48Å
111	V	84.6	Confident	83.7	Confident	8 Å²	8	28.7 Å²	28.7	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158	170.6	-39.9	0	0	0	0	110.5	V83 I103 I104 E105 W171	V83-V111 HydrophobicContact CG2-CG2 4.3Å; I103-V111 HydrophobicContact CG2-CB 3.91Å; I103-V111 HydrophobicContact CG2-CG2 3.85Å; I104-V111 CarbonylContact O-C 3.53Å; I104-V111 WeakPolarHBondContact O-CA 3.5Å; E105-V111 HydrophobicContact CG-CG1 4.39Å; V111-W171 HydrophobicContact CB-CE3 4.42Å; V111-W171 HydrophobicContact CG1-CE3 4.38Å; V111-W171 HydrophobicContact CG1-CZ3 4.31Å; V111-W171 HydrophobicContact CG2-CE3 3.47Å; V111-W171 VanDerWaalsContact CG2-CE3 3.47Å; V111-W171 HydrophobicContact CG2-CZ3 4.05Å; V111-W171 PolarHBondContact N-O 3.39Å; V111-W171 PolarHBondContact O-N 3.39Å
112	S	88.7	Confident	83.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.5	176.6	-170.4	0	0	0	0	110.6	I103 I104 L125 S168 I169 H170	I103-S112 WeakPolarHBondContact CA-O 3.39Å; I104-S112 PolarHBondContact N-O 3.45Å; I104-S112 PolarHBondContact O-N 3.13Å; S112-L125 WeakPolarHBondContact OG-CD1 3.45Å; S112-L125 WeakPolarHBondContact OG-CD2 3.41Å; S112-S168 WeakPolarHBondContact OG-CB 3.47Å; S112-I169 WeakPolarHBondContact CA-O 3.34Å; S112-H170 PolarHBondContact OG-CD2 3.21Å
113	T	89.7	Confident	83.9	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	152.8	171.4	69.4	0	0	0	0	112.2	T65 V83 V85 K102 S168 I169	T65-T113 PolarHBondContact OG1-OG1 3.04Å; V83-T113 HydrophobicContact CG1-CG2 3.33Å; V85-T113 HydrophobicContact CG1-CG2 4.09Å; K102-T113 CarbonylContact O-C 3.59Å; K102-T113 WeakPolarHBondContact O-CA 3.2Å; T113-S168 WeakPolarHBondContact O-CB 3.47Å; T113-I169 HydrophobicContact CG2-CB 4.24Å; T113-I169 PolarHBondContact N-O 3.42Å; T113-I169 WeakPolarHBondContact OG1-CB 3.33Å; T113-I169 PolarHBondContact OG1-N 3.45Å; T113-I169 VanDerWaalsContact OG1-N 3.08Å
114	L	87.5	Confident	83.9	Confident	18 Å²	18	30.8 Å²	30.8	9%	0.094	18%	0.179	C	C	.	.			trans	-102.6	100.2	174.3	-69.4	173.9	0	0	0	109.6	T63 K102 I104 C121 L125	T63-L114 WeakPolarHBondContact CG2-O 3.33Å; K102-L114 HydrophobicContact CB-CB 4.05Å; K102-L114 HydrophobicContact CG-CB 4.49Å; K102-L114 PolarHBondContact O-N 3.25Å; I104-L114 HydrophobicContact CD1-CD1 3.84Å; I104-L114 HydrophobicContact CD1-CD2 3.63Å; I104-L114 HydrophobicContact CD1-CG 3.91Å; I104-L114 HydrophobicContact CG1-CD1 3.9Å; I104-L114 HydrophobicContact CG1-CD2 4.25Å; I104-L114 HydrophobicContact CG1-CG 3.99Å; L114-C121 HydrophobicContact CD2-CB 3.19Å; L114-C121 HydrophobicContact CG-CB 4.46Å; L114-L125 HydrophobicContact CD2-CD1 3.65Å; L114-L125 HydrophobicContact CG-CD1 4.41Å
115	A	86.8	Confident	84.1	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.3	162.5	0	0	0	0	0	109.4	T63 T65 C121 V167 T212	T63-A115 HydrophobicContact CG2-CB 4.04Å; T65-A115 HydrophobicContact CG2-CB 4.23Å; A115-C121 PolarHBondContact O-SG 3.3Å; A115-V167 CarbonylContact C-O 3.6Å; A115-V167 WeakPolarHBondContact CA-O 3.2Å; A115-V167 WeakPolarHBondContact CB-O 3.38Å; A115-V167 PolarHBondContact N-O 3.12Å; A115-V167 CarbonylContact O-C 3.49Å; A115-V167 PolarHBondContact O-N 3.49Å; A115-T212 VanDerWaalsContact CB-OG1 3.31Å; A115-T212 WeakPolarHBondContact CB-OG1 3.48Å
116	G	85	Confident	84.3	Confident	14 Å²	14	32 Å²	32	14%	0.144	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.5	-158.4	-173.4	0	0	0	0	0	113.3	K61 A118 S165	K61-G116 VanDerWaalsContact CD-CA 3.43Å; K61-G116 WeakPolarHBondContact CD-O 3.43Å; K61-G116 VanDerWaalsContact NZ-C 3.26Å; G116-A118 PolarHBondContact O-N 3.34Å; G116-S165 CarbonylContact C-O 3.52Å; G116-S165 WeakPolarHBondContact CA-O 3.47Å
117	G	83.3	Confident	84.5	Confident	3 Å²	3	32.9 Å²	32.9	3%	0.031	18%	0.182	C	C	.	.			trans	-64.1	116.4	176.3	0	0	0	0	0	107.7	A119 D120 C121 S165	G117-A119 PolarHBondContact O-N 3.33Å; G117-D120 PolarHBondContact O-N 3.2Å; G117-D120 VanDerWaalsContact O-N 3.17Å; G117-C121 PolarHBondContact O-N 3.36Å; G117-C121 PolarHBondContact O-SG 2.88Å; G117-S165 PolarHBondContact N-O 3.42Å
118	A	83	Confident	84.9	Confident	69 Å²	69	32.6 Å²	32.6	57%	0.57	18%	0.18	S	C	*	.	H	α-helix	trans	-56	-38.9	-173	0	0	0	0	0	111.9	G116 Q122	G116-A118 PolarHBondContact O-N 3.34Å; A118-Q122 WeakPolarHBondContact O-CB 3.32Å; A118-Q122 PolarHBondContact O-N 3.26Å
119	A	83.2	Confident	85.5	Confident	72 Å²	72	27.9 Å²	27.9	60%	0.595	16%	0.156	S	C	*	.	H	α-helix	trans	-65.1	-51.5	177.3	0	0	0	0	0	112.4	G117 C121 Q122 F123	G117-A119 PolarHBondContact O-N 3.33Å; A119-C121 PolarHBondContact O-N 3.2Å; A119-Q122 PolarHBondContact O-N 2.89Å; A119-F123 VanDerWaalsContact O-CB 3.3Å; A119-F123 WeakPolarHBondContact O-CB 3.43Å; A119-F123 PolarHBondContact O-N 3.11Å
120	D	83.9	Confident	86.2	Confident	38 Å²	38	33.1 Å²	33.1	20%	0.203	18%	0.178	C	C	.	.	H	α-helix	trans	-56.7	-53.2	179.8	-61.9	-15.7	0	0	0	110.6	G117 Q122 F123 W124 L164 S165	G117-D120 PolarHBondContact O-N 3.2Å; G117-D120 VanDerWaalsContact O-N 3.17Å; D120-Q122 PolarHBondContact O-N 3.42Å; D120-F123 PolarHBondContact O-N 3.32Å; D120-W124 WeakPolarHBondContact O-CB 3.38Å; D120-W124 PolarHBondContact O-N 3Å; D120-L164 HydrophobicContact CB-CD2 4.46Å; D120-S165 PolarHBondContact OD2-N 2.86Å
121	C	86.6	Confident	86.6	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-44.3	-176.5	-52.6	0	0	0	0	110.8	L114 A115 G117 A119 L125 M166	L114-C121 HydrophobicContact CD2-CB 3.19Å; L114-C121 HydrophobicContact CG-CB 4.46Å; A115-C121 PolarHBondContact O-SG 3.3Å; G117-C121 PolarHBondContact O-N 3.36Å; G117-C121 PolarHBondContact O-SG 2.88Å; A119-C121 PolarHBondContact O-N 3.2Å; C121-L125 WeakPolarHBondContact O-CB 3.39Å; C121-L125 WeakPolarHBondContact O-CD1 3.33Å; C121-L125 WeakPolarHBondContact O-CG 3.2Å; C121-L125 PolarHBondContact O-N 3.34Å; C121-M166 HydrophobicContact CB-CB 4.33Å; C121-M166 HydrophobicContact CB-CE 4.43Å; C121-M166 WeakPolarHBondContact SG-CB 3.3Å
122	Q	86.5	Confident	86.6	Confident	77 Å²	77	33.1 Å²	33.1	36%	0.36	18%	0.178	S	C	.	.	H	α-helix	trans	-66.2	-40.2	-179.4	-173.5	175.9	27.8	0	0	112.3	I104 A118 A119 D120 R126	I104-Q122 HydrophobicContact CD1-CB 4.46Å; I104-Q122 HydrophobicContact CD1-CG 4.29Å; A118-Q122 WeakPolarHBondContact O-CB 3.32Å; A118-Q122 PolarHBondContact O-N 3.26Å; A119-Q122 PolarHBondContact O-N 2.89Å; D120-Q122 PolarHBondContact O-N 3.42Å; Q122-R126 VanDerWaalsContact NE2-CZ 3.35Å; Q122-R126 WeakPolarHBondContact O-CB 3.25Å; Q122-R126 WeakPolarHBondContact O-CD 3.47Å; Q122-R126 WeakPolarHBondContact O-CG 3.4Å; Q122-R126 PolarHBondContact O-N 3.02Å; Q122-R126 VanDerWaalsContact O-N 3.16Å
123	F	87.7	Confident	86.5	Confident	86 Å²	86	38 Å²	38	38%	0.377	20%	0.2	S	C	.	.	H	α-helix	trans	-65.8	-54.5	178.5	178.6	-95.3	0	0	0	111.2	V34 A119 D120 L125 R126 L127	V34-F123 HydrophobicContact CG1-CZ 4.21Å; A119-F123 VanDerWaalsContact O-CB 3.3Å; A119-F123 WeakPolarHBondContact O-CB 3.43Å; A119-F123 PolarHBondContact O-N 3.11Å; D120-F123 PolarHBondContact O-N 3.32Å; F123-L125 PolarHBondContact O-N 2.86Å; F123-R126 PolarHBondContact O-N 3.36Å; F123-L127 PolarHBondContact O-N 3.06Å
124	W	87.3	Confident	86.4	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.011	21%	0.214	C	C	.	.	H	α-helix	trans	-67.6	-36.2	-175.7	-69.5	120.7	0	0	0	112.8	P31 D120 L127 L128 L152 I155 Y159 L164 M166	P31-W124 HydrophobicContact CB-CH2 4.37Å; P31-W124 HydrophobicContact CB-CZ3 4.37Å; D120-W124 WeakPolarHBondContact O-CB 3.38Å; D120-W124 PolarHBondContact O-N 3Å; W124-L127 HydrophobicContact CE3-CD2 3.7Å; W124-L127 HydrophobicContact CZ3-CD2 3.54Å; W124-L127 PolarHBondContact O-N 3.3Å; W124-L128 WeakPolarHBondContact O-CB 3.38Å; W124-L128 PolarHBondContact O-N 3.21Å; W124-L152 HydrophobicContact CB-CD1 4.11Å; W124-I155 HydrophobicContact CD2-CG2 4.05Å; W124-I155 HydrophobicContact CE3-CG2 3.38Å; W124-I155 HydrophobicContact CH2-CG2 3.95Å; W124-I155 HydrophobicContact CZ3-CG2 3.32Å; W124-Y159 AromaticContact CH2-CD2 3.95Å; W124-Y159 HydrophobicContact CH2-CD2 3.95Å; W124-Y159 HydrophobicContact CH2-CE1 4.24Å; W124-Y159 AromaticContact CH2-CE2 3.42Å; W124-Y159 HydrophobicContact CH2-CE2 3.42Å; W124-Y159 VanDerWaalsContact CH2-CE2 3.42Å; W124-Y159 AromaticContact CH2-CZ 3.59Å; W124-Y159 HydrophobicContact CZ2-CD1 4.28Å; W124-Y159 HydrophobicContact CZ2-CD2 4.02Å; W124-Y159 HydrophobicContact CZ2-CE1 4.14Å; W124-Y159 AromaticContact CZ2-CE2 3.89Å; W124-Y159 HydrophobicContact CZ2-CE2 3.89Å; W124-Y159 HydrophobicContact CZ2-CG 4.22Å; W124-Y159 AromaticContact CZ2-CZ 3.95Å; W124-Y159 HydrophobicContact CZ3-CE2 4.38Å; W124-L164 HydrophobicContact CZ2-CD1 4.41Å; W124-M166 HydrophobicContact CB-CE 4.35Å; W124-M166 HydrophobicContact CB-SD 3.88Å; W124-M166 HydrophobicContact CG-SD 4.08Å
125	L	89.1	Confident	86.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.6	-33	175.5	-66.7	175.5	0	0	0	112.6	I104 L106 S112 L114 C121 F123 L128 S129 L152 M166 H170	I104-L125 HydrophobicContact CB-CD1 4.48Å; I104-L125 HydrophobicContact CD1-CB 4.05Å; I104-L125 HydrophobicContact CD1-CD1 4.09Å; I104-L125 HydrophobicContact CG2-CB 4.32Å; L106-L125 HydrophobicContact CD2-CB 4.21Å; L106-L125 HydrophobicContact CD2-CD2 4.37Å; L106-L125 WeakPolarHBondContact CD2-O 3.44Å; S112-L125 WeakPolarHBondContact OG-CD1 3.45Å; S112-L125 WeakPolarHBondContact OG-CD2 3.41Å; L114-L125 HydrophobicContact CD2-CD1 3.65Å; L114-L125 HydrophobicContact CG-CD1 4.41Å; C121-L125 WeakPolarHBondContact O-CB 3.39Å; C121-L125 WeakPolarHBondContact O-CD1 3.33Å; C121-L125 WeakPolarHBondContact O-CG 3.2Å; C121-L125 PolarHBondContact O-N 3.34Å; F123-L125 PolarHBondContact O-N 2.86Å; L125-L128 HydrophobicContact CD2-CD2 4.19Å; L125-L128 PolarHBondContact O-N 3.41Å; L125-S129 WeakPolarHBondContact O-CB 3.18Å; L125-S129 PolarHBondContact O-N 3.46Å; L125-L152 HydrophobicContact CD2-CD2 4.23Å; L125-M166 HydrophobicContact CG-CE 4.4Å; L125-H170 VanDerWaalsContact CD2-NE2 3.3Å; L125-H170 WeakPolarHBondContact CD2-NE2 3.47Å
126	R	87.5	Confident	86	Confident	154 Å²	154	43 Å²	43	58%	0.581	22%	0.223	S	C	*	.	H	α-helix	trans	-67.5	-41.2	171.5	-78.2	174.1	174.8	172.8	-3.2	111.8	Q122 F123 L128 S129 K130	Q122-R126 VanDerWaalsContact NE2-CZ 3.35Å; Q122-R126 WeakPolarHBondContact O-CB 3.25Å; Q122-R126 WeakPolarHBondContact O-CD 3.47Å; Q122-R126 WeakPolarHBondContact O-CG 3.4Å; Q122-R126 PolarHBondContact O-N 3.02Å; Q122-R126 VanDerWaalsContact O-N 3.16Å; F123-R126 PolarHBondContact O-N 3.36Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-S129 WeakPolarHBondContact O-CB 3.47Å; R126-S129 PolarHBondContact O-N 3.01Å; R126-K130 PolarHBondContact O-N 3.34Å
127	L	87.2	Confident	86	Confident	19 Å²	19	47.7 Å²	47.7	10%	0.099	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-45.5	173.5	-177.5	64.2	0	0	0	110.7	T29 F123 W124 S129 K130 T131	T29-L127 HydrophobicContact CG2-CD1 3.98Å; F123-L127 PolarHBondContact O-N 3.06Å; W124-L127 HydrophobicContact CE3-CD2 3.7Å; W124-L127 HydrophobicContact CZ3-CD2 3.54Å; W124-L127 PolarHBondContact O-N 3.3Å; L127-S129 PolarHBondContact O-N 2.97Å; L127-K130 WeakPolarHBondContact O-CB 3.27Å; L127-K130 PolarHBondContact O-N 3.5Å; L127-T131 PolarHBondContact O-N 2.91Å; L127-T131 PolarHBondContact O-OG1 3.29Å
128	L	87.7	Confident	86.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-44.6	175.4	-177.6	66.1	0	0	0	111.8	L106 W124 L125 R126 K130 T131 C132 I151 L152 H170	L106-L128 HydrophobicContact CD1-CD2 3.66Å; L106-L128 HydrophobicContact CD1-CG 4.35Å; L106-L128 HydrophobicContact CD2-CB 4.35Å; L106-L128 HydrophobicContact CD2-CD2 4.12Å; L106-L128 HydrophobicContact CD2-CG 4.34Å; W124-L128 WeakPolarHBondContact O-CB 3.38Å; W124-L128 PolarHBondContact O-N 3.21Å; L125-L128 HydrophobicContact CD2-CD2 4.19Å; L125-L128 PolarHBondContact O-N 3.41Å; R126-L128 VanDerWaalsContact C-N 3.33Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.03Å; L128-T131 PolarHBondContact O-N 3.42Å; L128-C132 WeakPolarHBondContact O-CB 3.38Å; L128-C132 PolarHBondContact O-N 3.42Å; L128-C132 PolarHBondContact O-SG 3.24Å; L128-I151 HydrophobicContact CD1-CB 4.01Å; L128-I151 HydrophobicContact CD1-CG2 3.79Å; L128-L152 HydrophobicContact CD1-CB 4.38Å; L128-L152 HydrophobicContact CD2-CB 4.06Å; L128-L152 HydrophobicContact CD2-CD1 4.47Å; L128-H170 VanDerWaalsContact CD2-NE2 3.32Å; L128-H170 WeakPolarHBondContact CD2-NE2 3.38Å
129	S	88.2	Confident	86	Confident	15 Å²	15	52 Å²	52	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-44.5	175.5	178.1	0	0	0	0	111.6	L106 L125 R126 L127 C132 K133	L106-S129 WeakPolarHBondContact O-CB 3.44Å; L106-S129 PolarHBondContact O-OG 2.93Å; L125-S129 WeakPolarHBondContact O-CB 3.18Å; L125-S129 PolarHBondContact O-N 3.46Å; R126-S129 WeakPolarHBondContact O-CB 3.47Å; R126-S129 PolarHBondContact O-N 3.01Å; L127-S129 PolarHBondContact O-N 2.97Å; S129-C132 PolarHBondContact O-N 2.76Å; S129-K133 WeakPolarHBondContact O-CB 3.45Å; S129-K133 WeakPolarHBondContact O-CG 3.42Å; S129-K133 PolarHBondContact O-N 2.95Å
130	K	88.1	Confident	85.9	Confident	115 Å²	115	57.5 Å²	57.5	50%	0.5	26%	0.264	S	S	.	.	H	α-helix	trans	-60.1	-48.4	175.1	-177.7	-173.1	175.3	-171.7	0	111.4	T29 R126 L127 L128 C132 K133 L134	T29-K130 HydrophobicContact CG2-CD 4.47Å; R126-K130 PolarHBondContact O-N 3.34Å; L127-K130 WeakPolarHBondContact O-CB 3.27Å; L127-K130 PolarHBondContact O-N 3.5Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.03Å; K130-C132 PolarHBondContact O-N 3.47Å; K130-K133 PolarHBondContact O-N 3.41Å; K130-L134 WeakPolarHBondContact O-CB 3.37Å; K130-L134 PolarHBondContact O-N 3.02Å
131	T	86.4	Confident	85.5	Confident	10 Å²	10	60.7 Å²	60.7	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-41.8	179.5	-58.3	0	0	0	0	111.9	M21 L127 L128 L134 Y135 I151	M21-T131 HydrophobicContact CE-CG2 3.65Å; L127-T131 PolarHBondContact O-N 2.91Å; L127-T131 PolarHBondContact O-OG1 3.29Å; L128-T131 PolarHBondContact O-N 3.42Å; T131-L134 PolarHBondContact O-N 3.37Å; T131-Y135 PolarHBondContact O-N 2.63Å; T131-I151 HydrophobicContact CG2-CD1 4.43Å; T131-I151 HydrophobicContact CG2-CG2 4.26Å
132	C	85.9	Confident	85	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-50.2	175.9	-68.2	0	0	0	0	111.4	T107 L128 S129 K130 L134 Y135 E136 I143	T107-C132 HydrophobicContact CG2-CB 3.54Å; L128-C132 WeakPolarHBondContact O-CB 3.38Å; L128-C132 PolarHBondContact O-N 3.42Å; L128-C132 PolarHBondContact O-SG 3.24Å; S129-C132 PolarHBondContact O-N 2.76Å; K130-C132 PolarHBondContact O-N 3.47Å; C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 PolarHBondContact O-N 2.86Å; C132-Y135 WeakPolarHBondContact O-CB 3.5Å; C132-Y135 PolarHBondContact O-N 3.4Å; C132-E136 WeakPolarHBondContact O-CG 3.31Å; C132-E136 PolarHBondContact O-N 3.07Å; C132-I143 HydrophobicContact CB-CD1 4.31Å; C132-I143 HydrophobicContact CB-CG2 3.93Å
133	K	85.1	Confident	84.5	Confident	102 Å²	102	61.7 Å²	61.7	44%	0.443	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-38	179	-72.9	176.6	177.4	175.3	0	112.4	L106 S129 K130 Y135 E136 V137	L106-K133 WeakPolarHBondContact O-CE 3.4Å; S129-K133 WeakPolarHBondContact O-CB 3.45Å; S129-K133 WeakPolarHBondContact O-CG 3.42Å; S129-K133 PolarHBondContact O-N 2.95Å; K130-K133 PolarHBondContact O-N 3.41Å; K133-Y135 VanDerWaalsContact C-N 3.34Å; K133-E136 PolarHBondContact O-N 3.39Å; K133-V137 WeakPolarHBondContact O-CG2 3.29Å; K133-V137 PolarHBondContact O-N 3.1Å
134	L	88.9	Confident	84	Confident	56 Å²	56	59.4 Å²	59.4	29%	0.293	28%	0.275	S	S	.	.	H	α-helix	trans	-62.4	-42.7	175.2	-178.7	60.6	0	0	0	111.6	K130 T131 C132 E136 V137 R138	K130-L134 WeakPolarHBondContact O-CB 3.37Å; K130-L134 PolarHBondContact O-N 3.02Å; T131-L134 PolarHBondContact O-N 3.37Å; C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 PolarHBondContact O-N 2.86Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-E136 PolarHBondContact O-N 3.49Å; L134-V137 PolarHBondContact O-N 3.4Å; L134-R138 HydrophobicContact CD1-CG 4.35Å; L134-R138 WeakPolarHBondContact O-CB 3.4Å; L134-R138 WeakPolarHBondContact O-CG 3.28Å; L134-R138 PolarHBondContact O-N 3.14Å
135	Y	83.4	Confident	83.7	Confident	30 Å²	30	59.4 Å²	59.4	12%	0.118	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-44.6	174.3	175.7	-90.2	0	0	0	111.9	I17 M21 T131 C132 K133 V137 R138 T139 I143	I17-Y135 WeakPolarHBondContact CD1-OH 3.39Å; I17-Y135 HydrophobicContact CG1-CE2 4.4Å; I17-Y135 HydrophobicContact CG2-CD2 4.33Å; I17-Y135 HydrophobicContact CG2-CE2 3.47Å; I17-Y135 VanDerWaalsContact CG2-CE2 3.47Å; M21-Y135 HydrophobicContact CE-CD2 3.96Å; M21-Y135 HydrophobicContact CE-CG 4.12Å; M21-Y135 HydrophobicContact CG-CD2 3.88Å; M21-Y135 HydrophobicContact CG-CE2 4.38Å; M21-Y135 HydrophobicContact SD-CD2 3.47Å; M21-Y135 WeakPolarHBondContact SD-CD2 3.5Å; M21-Y135 HydrophobicContact SD-CE2 3.99Å; M21-Y135 HydrophobicContact SD-CG 4.11Å; T131-Y135 PolarHBondContact O-N 2.63Å; C132-Y135 WeakPolarHBondContact O-CB 3.5Å; C132-Y135 PolarHBondContact O-N 3.4Å; K133-Y135 VanDerWaalsContact C-N 3.34Å; Y135-V137 VanDerWaalsContact C-N 3.35Å; Y135-V137 PolarHBondContact O-N 3.44Å; Y135-R138 PolarHBondContact O-N 2.98Å; Y135-T139 HydrophobicContact CD2-CG2 3.87Å; Y135-T139 HydrophobicContact CE1-CG2 4.28Å; Y135-T139 WeakPolarHBondContact CE1-OG1 3.46Å; Y135-T139 HydrophobicContact CE2-CG2 3.47Å; Y135-T139 VanDerWaalsContact CE2-CG2 3.47Å; Y135-T139 HydrophobicContact CG-CG2 4.42Å; Y135-T139 PolarHBondContact O-N 3.14Å; Y135-T139 PolarHBondContact O-OG1 3.3Å; Y135-I143 HydrophobicContact CD1-CB 3.72Å; Y135-I143 HydrophobicContact CD1-CD1 4.31Å; Y135-I143 HydrophobicContact CD1-CG1 4.04Å; Y135-I143 HydrophobicContact CE1-CB 4.13Å; Y135-I143 HydrophobicContact CE1-CG1 4.34Å; Y135-I143 HydrophobicContact CG-CD1 4.38Å
136	E	81.4	Confident	83.3	Confident	38 Å²	38	61 Å²	61	18%	0.178	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-40.4	178.9	-66.4	-177.2	157.6	0	0	112.2	C132 K133 L134 K140 N141 I143	C132-E136 WeakPolarHBondContact O-CG 3.31Å; C132-E136 PolarHBondContact O-N 3.07Å; K133-E136 PolarHBondContact O-N 3.39Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-E136 PolarHBondContact O-N 3.49Å; E136-K140 WeakPolarHBondContact O-CA 3.14Å; E136-K140 PolarHBondContact O-N 2.84Å; E136-N141 WeakPolarHBondContact CA-O 3.3Å; E136-I143 PolarHBondContact OE1-N 3.47Å
137	V	86.3	Confident	83.1	Confident	113 Å²	113	54.6 Å²	54.6	69%	0.685	27%	0.267	S	S	*	.	H	α-helix	trans	-67.2	-40.8	176.1	172.4	0	0	0	0	111.8	K133 L134 Y135	K133-V137 WeakPolarHBondContact O-CG2 3.29Å; K133-V137 PolarHBondContact O-N 3.1Å; L134-V137 PolarHBondContact O-N 3.4Å; Y135-V137 VanDerWaalsContact C-N 3.35Å; Y135-V137 PolarHBondContact O-N 3.44Å
138	R	84	Confident	83	Confident	120 Å²	120	53.7 Å²	53.7	45%	0.453	26%	0.262	S	S	.	.	H	α-helix	trans	-72.4	-49.8	-177.6	-77.2	-179.7	170.4	159.6	-1.5	113.1	D24 L134 Y135	D24-R138 VanDerWaalsContact CB-NH1 3.28Å; D24-R138 IonicContact OD1-CZ 3.44Å; D24-R138 IonicContact OD1-NH1 2.63Å; D24-R138 PolarHBondContact OD1-NH1 2.92Å; D24-R138 IonicContact OD2-CZ 3.01Å; D24-R138 IonicContact OD2-NE 3.4Å; D24-R138 IonicContact OD2-NH1 3.76Å; D24-R138 PolarHBondContact OD2-NH1 3.37Å; L134-R138 HydrophobicContact CD1-CG 4.35Å; L134-R138 WeakPolarHBondContact O-CB 3.4Å; L134-R138 WeakPolarHBondContact O-CG 3.28Å; L134-R138 PolarHBondContact O-N 3.14Å; Y135-R138 PolarHBondContact O-N 2.98Å
139	T	82.1	Confident	83	Confident	42 Å²	42	53.7 Å²	53.7	26%	0.258	26%	0.262	S	S	.	.	H	α-helix	trans	-87.1	-11	-174.7	63.9	0	0	0	0	112.9	Y135 N141	Y135-T139 HydrophobicContact CD2-CG2 3.87Å; Y135-T139 HydrophobicContact CE1-CG2 4.28Å; Y135-T139 WeakPolarHBondContact CE1-OG1 3.46Å; Y135-T139 HydrophobicContact CE2-CG2 3.47Å; Y135-T139 VanDerWaalsContact CE2-CG2 3.47Å; Y135-T139 HydrophobicContact CG-CG2 4.42Å; Y135-T139 PolarHBondContact O-N 3.14Å; Y135-T139 PolarHBondContact O-OG1 3.3Å; T139-N141 PolarHBondContact O-N 3.34Å; T139-N141 VanDerWaalsContact O-N 3.11Å; T139-N141 PolarHBondContact O-ND2 3.49Å; T139-N141 PolarHBondContact OG1-N 3.43Å; T139-N141 PolarHBondContact OG1-O 3.34Å
140	K	81.3	Confident	82.8	Confident	189 Å²	189	55.8 Å²	55.8	82%	0.822	27%	0.269	S	S	*	.	S	Bend	trans	54.3	21.8	-169.7	-57.2	-179.2	-179.7	178.9	0	112.8	E136	E136-K140 WeakPolarHBondContact O-CA 3.14Å; E136-K140 PolarHBondContact O-N 2.84Å
141	N	75.6	Confident	82.7	Confident	105 Å²	105	51.3 Å²	51.3	56%	0.561	25%	0.251	S	S	*	.	S	Bend	trans	-127.1	143.3	-178.7	-75.7	-45.3	0	0	0	110	E136 T139	E136-N141 WeakPolarHBondContact CA-O 3.3Å; T139-N141 PolarHBondContact O-N 3.34Å; T139-N141 VanDerWaalsContact O-N 3.11Å; T139-N141 PolarHBondContact O-ND2 3.49Å; T139-N141 PolarHBondContact OG1-N 3.43Å; T139-N141 PolarHBondContact OG1-O 3.34Å
142	R	74.3	Confident	82.7	Confident	99 Å²	99	50.9 Å²	50.9	37%	0.374	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-65.4	141.4	177.5	-68.4	-175.2	176.6	176.3	-1.3	111.1	L174	R142-L174 HydrophobicContact CB-CD2 4.01Å
143	I	76.6	Confident	82.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-73.9	142.1	176.8	-167.7	165.7	0	0	0	111	M21 T107 M110 C132 Y135 E136 A147 I151 L172	M21-I143 HydrophobicContact CE-CD1 4.12Å; M21-I143 HydrophobicContact SD-CD1 4.44Å; T107-I143 HydrophobicContact CG2-CG2 4.12Å; M110-I143 HydrophobicContact CE-CG2 3.76Å; C132-I143 HydrophobicContact CB-CD1 4.31Å; C132-I143 HydrophobicContact CB-CG2 3.93Å; Y135-I143 HydrophobicContact CD1-CB 3.72Å; Y135-I143 HydrophobicContact CD1-CD1 4.31Å; Y135-I143 HydrophobicContact CD1-CG1 4.04Å; Y135-I143 HydrophobicContact CE1-CB 4.13Å; Y135-I143 HydrophobicContact CE1-CG1 4.34Å; Y135-I143 HydrophobicContact CG-CD1 4.38Å; E136-I143 PolarHBondContact OE1-N 3.47Å; I143-A147 HydrophobicContact CD1-CB 4.24Å; I143-A147 HydrophobicContact CG1-CB 3.9Å; I143-I151 HydrophobicContact CD1-CD1 3.81Å; I143-L172 WeakPolarHBondContact O-CD2 3.03Å
144	T	78.6	Confident	82.9	Confident	37 Å²	37	48.7 Å²	48.7	23%	0.227	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-80.1	157.5	175.8	61.2	0	0	0	0	112.4	S146 A147 S148 L174	T144-S146 PolarHBondContact O-N 2.82Å; T144-A147 PolarHBondContact O-N 3.3Å; T144-A147 WeakPolarHBondContact OG1-CB 3.5Å; T144-A147 PolarHBondContact OG1-N 3.01Å; T144-S148 PolarHBondContact O-N 2.94Å; T144-L174 HydrophobicContact CG2-CD1 4.17Å
145	A	79.1	Confident	82.7	Confident	3 Å²	3	46.6 Å²	46.6	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-68.3	-36.4	-177.8	0	0	0	0	0	109	S149 L172 A194 Y196	A145-S149 VanDerWaalsContact O-CB 3.26Å; A145-S149 WeakPolarHBondContact O-CB 3.25Å; A145-S149 PolarHBondContact O-N 3.2Å; A145-S149 PolarHBondContact O-OG 2.92Å; A145-L172 HydrophobicContact CB-CB 3.22Å; A145-L172 HydrophobicContact CB-CD2 3.55Å; A145-L172 HydrophobicContact CB-CG 3.93Å; A145-A194 HydrophobicContact CB-CB 3.94Å; A145-Y196 HydrophobicContact CB-CD2 3.93Å; A145-Y196 HydrophobicContact CB-CE2 3.73Å
146	S	81.4	Confident	82.8	Confident	33 Å²	33	45.2 Å²	45.2	23%	0.231	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-47.5	179.2	-166.5	0	0	0	0	109.4	T144 S149 K150 R204	T144-S146 PolarHBondContact O-N 2.82Å; S146-S149 PolarHBondContact O-OG 2.76Å; S146-K150 WeakPolarHBondContact O-CB 3.39Å; S146-K150 PolarHBondContact O-N 3.17Å; S146-R204 VanDerWaalsContact CA-NH2 3.35Å; S146-R204 PolarHBondContact O-NH2 3.31Å; S146-R204 VanDerWaalsContact O-NH2 3.17Å; S146-R204 PolarHBondContact OG-NH2 3.15Å
147	A	84.2	Confident	82.9	Confident	20 Å²	20	46.1 Å²	46.1	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-50.2	177.6	0	0	0	0	0	112	I143 T144 S149 K150 I151	I143-A147 HydrophobicContact CD1-CB 4.24Å; I143-A147 HydrophobicContact CG1-CB 3.9Å; T144-A147 PolarHBondContact O-N 3.3Å; T144-A147 WeakPolarHBondContact OG1-CB 3.5Å; T144-A147 PolarHBondContact OG1-N 3.01Å; A147-S149 PolarHBondContact O-N 2.69Å; A147-K150 WeakPolarHBondContact O-CB 3.49Å; A147-K150 PolarHBondContact O-N 2.8Å; A147-K150 VanDerWaalsContact O-N 3.13Å; A147-I151 WeakPolarHBondContact O-CD1 3.34Å; A147-I151 VanDerWaalsContact O-CG1 3.25Å; A147-I151 WeakPolarHBondContact O-CG1 3.5Å; A147-I151 PolarHBondContact O-N 2.85Å
148	S	85.4	Confident	82.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-48.8	178.6	174.7	0	0	0	0	112.7	M110 T144 K150 I151 L152	M110-S148 WeakPolarHBondContact SD-CB 3.31Å; M110-S148 PolarHBondContact SD-OG 3.02Å; T144-S148 PolarHBondContact O-N 2.94Å; S148-K150 VanDerWaalsContact C-N 3.26Å; S148-K150 PolarHBondContact O-N 2.82Å; S148-I151 PolarHBondContact O-N 3.2Å; S148-L152 PolarHBondContact O-N 3.37Å
149	S	85.8	Confident	82.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-32.4	176.7	58.1	0	0	0	0	112.8	A145 S146 A147 Q153 R204	A145-S149 VanDerWaalsContact O-CB 3.26Å; A145-S149 WeakPolarHBondContact O-CB 3.25Å; A145-S149 PolarHBondContact O-N 3.2Å; A145-S149 PolarHBondContact O-OG 2.92Å; S146-S149 PolarHBondContact O-OG 2.76Å; A147-S149 PolarHBondContact O-N 2.69Å; S149-Q153 WeakPolarHBondContact O-CB 3.33Å; S149-Q153 PolarHBondContact O-N 2.77Å; S149-R204 PolarHBondContact OG-NE 2.82Å; S149-R204 PolarHBondContact OG-NH2 3.13Å
150	K	84.7	Confident	82.2	Confident	60 Å²	60	44.1 Å²	44.1	26%	0.261	22%	0.219	S	C	.	.	H	α-helix	trans	-71.9	-40.1	176.3	-175.7	62.7	177.9	179.5	0	112.1	E18 S146 A147 S148 Q153 N154	E18-K150 WeakPolarHBondContact OE1-CE 3.39Å; S146-K150 WeakPolarHBondContact O-CB 3.39Å; S146-K150 PolarHBondContact O-N 3.17Å; A147-K150 WeakPolarHBondContact O-CB 3.49Å; A147-K150 PolarHBondContact O-N 2.8Å; A147-K150 VanDerWaalsContact O-N 3.13Å; S148-K150 VanDerWaalsContact C-N 3.26Å; S148-K150 PolarHBondContact O-N 2.82Å; K150-Q153 WeakPolarHBondContact O-CB 3.39Å; K150-Q153 PolarHBondContact O-N 2.72Å; K150-N154 WeakPolarHBondContact O-CB 3.17Å; K150-N154 VanDerWaalsContact O-CG 3.25Å; K150-N154 PolarHBondContact O-N 3.09Å
151	I	86.6	Confident	81.8	Confident	21 Å²	21	42.4 Å²	42.4	11%	0.108	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-48.9	173.9	-67.2	156.7	0	0	0	109.6	M21 L128 T131 I143 A147 S148 Q153 N154 I155	M21-I151 HydrophobicContact CE-CD1 3.22Å; M21-I151 HydrophobicContact CE-CG1 4.27Å; M21-I151 HydrophobicContact SD-CD1 3.66Å; M21-I151 HydrophobicContact SD-CG1 4.46Å; L128-I151 HydrophobicContact CD1-CB 4.01Å; L128-I151 HydrophobicContact CD1-CG2 3.79Å; T131-I151 HydrophobicContact CG2-CD1 4.43Å; T131-I151 HydrophobicContact CG2-CG2 4.26Å; I143-I151 HydrophobicContact CD1-CD1 3.81Å; A147-I151 WeakPolarHBondContact O-CD1 3.34Å; A147-I151 VanDerWaalsContact O-CG1 3.25Å; A147-I151 WeakPolarHBondContact O-CG1 3.5Å; A147-I151 PolarHBondContact O-N 2.85Å; S148-I151 PolarHBondContact O-N 3.2Å; I151-Q153 PolarHBondContact O-N 3.08Å; I151-N154 PolarHBondContact O-N 3.38Å; I151-I155 HydrophobicContact CG2-CD1 3.87Å; I151-I155 WeakPolarHBondContact O-CG1 3.37Å; I151-I155 PolarHBondContact O-N 2.98Å
152	L	86.6	Confident	81.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-44.4	176.9	-168.8	69.6	0	0	0	111.3	W124 L125 L128 S148 N154 I155 L156 M166 S168 H170 V198	W124-L152 HydrophobicContact CB-CD1 4.11Å; L125-L152 HydrophobicContact CD2-CD2 4.23Å; L128-L152 HydrophobicContact CD1-CB 4.38Å; L128-L152 HydrophobicContact CD2-CB 4.06Å; L128-L152 HydrophobicContact CD2-CD1 4.47Å; S148-L152 PolarHBondContact O-N 3.37Å; L152-N154 VanDerWaalsContact C-N 3.29Å; L152-N154 PolarHBondContact O-N 3.23Å; L152-I155 PolarHBondContact O-N 3.36Å; L152-L156 HydrophobicContact CD1-CD1 4.49Å; L152-L156 HydrophobicContact CD1-CG 4.34Å; L152-L156 HydrophobicContact CD2-CD1 3.88Å; L152-L156 HydrophobicContact CG-CD1 3.8Å; L152-L156 HydrophobicContact CG-CG 4.05Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.32Å; L152-M166 HydrophobicContact CD2-CE 3.73Å; L152-S168 WeakPolarHBondContact CD2-OG 3.33Å; L152-H170 WeakPolarHBondContact CD2-CE1 3.37Å; L152-H170 WeakPolarHBondContact CD2-NE2 3.45Å; L152-V198 HydrophobicContact CD2-CB 4.39Å; L152-V198 HydrophobicContact CD2-CG1 4.13Å; L152-V198 HydrophobicContact CG-CG1 4.36Å
153	Q	87.5	Confident	81.6	Confident	30 Å²	30	41.8 Å²	41.8	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-55.1	-46.3	177.4	-175.8	-171.2	31	0	0	111.4	S149 K150 I151 L156 C157 V198 G202 R204	S149-Q153 WeakPolarHBondContact O-CB 3.33Å; S149-Q153 PolarHBondContact O-N 2.77Å; K150-Q153 WeakPolarHBondContact O-CB 3.39Å; K150-Q153 PolarHBondContact O-N 2.72Å; I151-Q153 PolarHBondContact O-N 3.08Å; Q153-L156 PolarHBondContact O-N 3.14Å; Q153-C157 WeakPolarHBondContact O-CB 3.46Å; Q153-C157 PolarHBondContact O-N 2.78Å; Q153-C157 PolarHBondContact O-SG 3.36Å; Q153-V198 HydrophobicContact CB-CG1 4.37Å; Q153-G202 WeakPolarHBondContact CG-O 3.48Å; Q153-G202 PolarHBondContact NE2-O 3.48Å; Q153-R204 HydrophobicContact CB-CB 4.4Å; Q153-R204 HydrophobicContact CG-CB 4.12Å
154	N	87.9	Confident	81.6	Confident	26 Å²	26	43.1 Å²	43.1	14%	0.139	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46.6	179.1	-71	-15.4	0	0	0	111	E18 R22 K150 I151 L152 L156 C157 D158	E18-N154 PolarHBondContact OE1-ND2 2.88Å; R22-N154 PolarHBondContact NH2-ND2 3.14Å; K150-N154 WeakPolarHBondContact O-CB 3.17Å; K150-N154 VanDerWaalsContact O-CG 3.25Å; K150-N154 PolarHBondContact O-N 3.09Å; I151-N154 PolarHBondContact O-N 3.38Å; L152-N154 VanDerWaalsContact C-N 3.29Å; L152-N154 PolarHBondContact O-N 3.23Å; N154-L156 VanDerWaalsContact C-N 3.34Å; N154-L156 PolarHBondContact O-N 2.85Å; N154-C157 PolarHBondContact O-N 3.38Å; N154-D158 PolarHBondContact O-N 2.98Å; N154-D158 VanDerWaalsContact O-N 3.11Å
155	I	84.1	Confident	81.5	Confident	13 Å²	13	43.4 Å²	43.4	7%	0.067	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-47.1	175.5	-67.8	167.7	0	0	0	110.6	W124 I151 L152 D158 Y159	W124-I155 HydrophobicContact CD2-CG2 4.05Å; W124-I155 HydrophobicContact CE3-CG2 3.38Å; W124-I155 HydrophobicContact CH2-CG2 3.95Å; W124-I155 HydrophobicContact CZ3-CG2 3.32Å; I151-I155 HydrophobicContact CG2-CD1 3.87Å; I151-I155 WeakPolarHBondContact O-CG1 3.37Å; I151-I155 PolarHBondContact O-N 2.98Å; L152-I155 PolarHBondContact O-N 3.36Å; I155-D158 PolarHBondContact O-N 3.09Å; I155-Y159 WeakPolarHBondContact O-CD2 3.06Å; I155-Y159 PolarHBondContact O-N 2.7Å
156	L	84.6	Confident	81.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-37.8	-178.5	-65.1	175.1	0	0	0	112.8	L152 Q153 N154 D158 Y159 K160 L164 M166 V198	L152-L156 HydrophobicContact CD1-CD1 4.49Å; L152-L156 HydrophobicContact CD1-CG 4.34Å; L152-L156 HydrophobicContact CD2-CD1 3.88Å; L152-L156 HydrophobicContact CG-CD1 3.8Å; L152-L156 HydrophobicContact CG-CG 4.05Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.32Å; Q153-L156 PolarHBondContact O-N 3.14Å; N154-L156 VanDerWaalsContact C-N 3.34Å; N154-L156 PolarHBondContact O-N 2.85Å; L156-D158 VanDerWaalsContact C-N 3.27Å; L156-D158 PolarHBondContact O-N 3.01Å; L156-Y159 CarbonylContact O-C 3.15Å; L156-Y159 PolarHBondContact O-N 3.4Å; L156-K160 PolarHBondContact O-N 3.17Å; L156-L164 HydrophobicContact CD2-CD1 3.92Å; L156-M166 HydrophobicContact CD1-CG 4.22Å; L156-M166 HydrophobicContact CD1-SD 4.26Å; L156-M166 HydrophobicContact CD2-CG 3.8Å; L156-M166 HydrophobicContact CD2-SD 3.46Å; L156-M166 WeakPolarHBondContact CD2-SD 3.02Å; L156-M166 HydrophobicContact CG-SD 4.44Å; L156-V198 HydrophobicContact CD1-CG1 3.78Å
157	C	83.9	Confident	80.8	Confident	56 Å²	56	43.4 Å²	43.4	38%	0.378	25%	0.246	S	C	.	.	H	α-helix	trans	-60.2	-36.9	174.2	-76.6	0	0	0	0	112.1	Q153 N154 Y159 K160	Q153-C157 WeakPolarHBondContact O-CB 3.46Å; Q153-C157 PolarHBondContact O-N 2.78Å; Q153-C157 PolarHBondContact O-SG 3.36Å; N154-C157 PolarHBondContact O-N 3.38Å; C157-Y159 PolarHBondContact O-N 3.25Å; C157-K160 WeakPolarHBondContact O-CB 3.31Å; C157-K160 PolarHBondContact O-N 2.84Å
158	D	82.6	Confident	79.8	Confident	103 Å²	103	42.5 Å²	42.5	55%	0.551	24%	0.238	S	C	*	.	H	α-helix	trans	-66.3	-27	178.4	-71	-19.6	0	0	0	112.7	N154 I155 L156	N154-D158 PolarHBondContact O-N 2.98Å; N154-D158 VanDerWaalsContact O-N 3.11Å; I155-D158 PolarHBondContact O-N 3.09Å; L156-D158 VanDerWaalsContact C-N 3.27Å; L156-D158 PolarHBondContact O-N 3.01Å
159	Y	79	Confident	78.6	Confident	25 Å²	25	42.5 Å²	42.5	10%	0.098	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	13.8	177.2	-72.4	-98.1	0	0	0	112.8	P31 W124 I155 L156 C157 N161 M162 L164	P31-Y159 HydrophobicContact CB-CE2 3.88Å; P31-Y159 WeakPolarHBondContact CB-OH 3.32Å; P31-Y159 PolarHBondContact O-OH 3.02Å; W124-Y159 AromaticContact CH2-CD2 3.95Å; W124-Y159 HydrophobicContact CH2-CD2 3.95Å; W124-Y159 HydrophobicContact CH2-CE1 4.24Å; W124-Y159 AromaticContact CH2-CE2 3.42Å; W124-Y159 HydrophobicContact CH2-CE2 3.42Å; W124-Y159 VanDerWaalsContact CH2-CE2 3.42Å; W124-Y159 AromaticContact CH2-CZ 3.59Å; W124-Y159 HydrophobicContact CZ2-CD1 4.28Å; W124-Y159 HydrophobicContact CZ2-CD2 4.02Å; W124-Y159 HydrophobicContact CZ2-CE1 4.14Å; W124-Y159 AromaticContact CZ2-CE2 3.89Å; W124-Y159 HydrophobicContact CZ2-CE2 3.89Å; W124-Y159 HydrophobicContact CZ2-CG 4.22Å; W124-Y159 AromaticContact CZ2-CZ 3.95Å; W124-Y159 HydrophobicContact CZ3-CE2 4.38Å; I155-Y159 WeakPolarHBondContact O-CD2 3.06Å; I155-Y159 PolarHBondContact O-N 2.7Å; L156-Y159 CarbonylContact O-C 3.15Å; L156-Y159 PolarHBondContact O-N 3.4Å; C157-Y159 PolarHBondContact O-N 3.25Å; Y159-N161 PolarHBondContact O-N 3.39Å; Y159-M162 HydrophobicContact CD1-SD 3.66Å; Y159-M162 HydrophobicContact CE1-SD 4.33Å; Y159-M162 HydrophobicContact CG-SD 4.34Å; Y159-M162 WeakPolarHBondContact O-CB 3.46Å; Y159-M162 PolarHBondContact O-N 3.07Å; Y159-L164 HydrophobicContact CG-CD1 4Å
160	K	75.7	Confident	77.3	Confident	105 Å²	105	42.7 Å²	42.7	46%	0.457	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	135.9	178.2	-173.3	167.6	-179.2	160.2	0	109.8	L156 C157 M162 D201	L156-K160 PolarHBondContact O-N 3.17Å; C157-K160 WeakPolarHBondContact O-CB 3.31Å; C157-K160 PolarHBondContact O-N 2.84Å; K160-M162 VanDerWaalsContact C-N 3.26Å; K160-M162 PolarHBondContact O-N 3.48Å; K160-D201 WeakPolarHBondContact CE-O 3.37Å; K160-D201 PolarHBondContact NZ-O 3.44Å
161	N	72.7	Confident	76	Confident	153 Å²	153	40.3 Å²	40.3	82%	0.818	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	5.2	-174.9	-45.5	-46.5	0	0	0	116	Y159 G163	Y159-N161 PolarHBondContact O-N 3.39Å; N161-G163 VanDerWaalsContact C-N 3.29Å; N161-G163 PolarHBondContact O-N 3.28Å
162	M	74.3	Confident	74.5	Confident	123 Å²	123	39.4 Å²	39.4	61%	0.606	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	11.6	174.7	-58.6	-166.4	179.9	0	0	114	Y159 K160	Y159-M162 HydrophobicContact CD1-SD 3.66Å; Y159-M162 HydrophobicContact CE1-SD 4.33Å; Y159-M162 HydrophobicContact CG-SD 4.34Å; Y159-M162 WeakPolarHBondContact O-CB 3.46Å; Y159-M162 PolarHBondContact O-N 3.07Å; K160-M162 VanDerWaalsContact C-N 3.26Å; K160-M162 PolarHBondContact O-N 3.48Å
163	G	72.1	Confident	72.8	Confident	68 Å²	68	39.8 Å²	39.8	70%	0.701	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	11.2	178.7	0	0	0	0	0	115.2	N161	N161-G163 VanDerWaalsContact C-N 3.29Å; N161-G163 PolarHBondContact O-N 3.28Å
164	L	76.8	Confident	70.5	Confident	29 Å²	29	38.8 Å²	38.8	15%	0.152	22%	0.221	C	C	.	.			trans	-57.1	139.8	167.2	-72.6	-173.7	0	0	0	109.9	D120 W124 L156 Y159	D120-L164 HydrophobicContact CB-CD2 4.46Å; W124-L164 HydrophobicContact CZ2-CD1 4.41Å; L156-L164 HydrophobicContact CD2-CD1 3.92Å; Y159-L164 HydrophobicContact CG-CD1 4Å
165	S	76.2	Confident	68	Low	43 Å²	43	41.4 Å²	41.4	30%	0.301	23%	0.229	S	C	.	.			trans	-138	87.6	176.2	-164.1	0	0	0	0	113	K61 G116 G117 D120 D200	K61-S165 PolarHBondContact NZ-O 3.11Å; K61-S165 VanDerWaalsContact NZ-O 3.14Å; K61-S165 PolarHBondContact NZ-OG 2.83Å; G116-S165 CarbonylContact C-O 3.52Å; G116-S165 WeakPolarHBondContact CA-O 3.47Å; G117-S165 PolarHBondContact N-O 3.42Å; D120-S165 PolarHBondContact OD2-N 2.86Å; S165-D200 VanDerWaalsContact CA-OD2 3.28Å; S165-D200 WeakPolarHBondContact CA-OD2 3.41Å
166	M	77.8	Confident	65.7	Low	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.2	179.1	64.3	177	-67.9	0	0	113.1	C121 W124 L125 L152 L156 D200	C121-M166 HydrophobicContact CB-CB 4.33Å; C121-M166 HydrophobicContact CB-CE 4.43Å; C121-M166 WeakPolarHBondContact SG-CB 3.3Å; W124-M166 HydrophobicContact CB-CE 4.35Å; W124-M166 HydrophobicContact CB-SD 3.88Å; W124-M166 HydrophobicContact CG-SD 4.08Å; L125-M166 HydrophobicContact CG-CE 4.4Å; L152-M166 HydrophobicContact CD2-CE 3.73Å; L156-M166 HydrophobicContact CD1-CG 4.22Å; L156-M166 HydrophobicContact CD1-SD 4.26Å; L156-M166 HydrophobicContact CD2-CG 3.8Å; L156-M166 HydrophobicContact CD2-SD 3.46Å; L156-M166 WeakPolarHBondContact CD2-SD 3.02Å; L156-M166 HydrophobicContact CG-SD 4.44Å; M166-D200 HydrophobicContact CG-CB 4.42Å; M166-D200 PolarHBondContact N-OD2 3.35Å; M166-D200 WeakPolarHBondContact O-CB 3.34Å; M166-D200 PolarHBondContact O-N 3.31Å
167	V	68.8	Low	63.4	Low	35 Å²	35	53 Å²	53	21%	0.212	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.3	165.3	-168.6	0	0	0	0	106.5	A115 M197 V198 S199 T212	A115-V167 CarbonylContact C-O 3.6Å; A115-V167 WeakPolarHBondContact CA-O 3.2Å; A115-V167 WeakPolarHBondContact CB-O 3.38Å; A115-V167 PolarHBondContact N-O 3.12Å; A115-V167 CarbonylContact O-C 3.49Å; A115-V167 PolarHBondContact O-N 3.49Å; V167-M197 HydrophobicContact CG1-CG 4.22Å; V167-V198 WeakPolarHBondContact CA-O 3.48Å; V167-S199 WeakPolarHBondContact CG2-OG 3.17Å; V167-T212 HydrophobicContact CB-CG2 4.47Å; V167-T212 HydrophobicContact CG1-CG2 3.54Å
168	S	62.4	Low	61	Low	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.2	174.6	62.2	0	0	0	0	110.1	S112 T113 L152 H170 V198	S112-S168 WeakPolarHBondContact OG-CB 3.47Å; T113-S168 WeakPolarHBondContact O-CB 3.47Å; L152-S168 WeakPolarHBondContact CD2-OG 3.33Å; S168-H170 PolarHBondContact OG-CE1 2.96Å; S168-H170 VanDerWaalsContact OG-CE1 3.32Å; S168-H170 PolarHBondContact OG-NE2 3.33Å; S168-V198 PolarHBondContact N-O 3.49Å; S168-V198 PolarHBondContact O-N 2.93Å; S168-V198 VanDerWaalsContact O-O 3.13Å
169	I	60.4	Low	58.7	Low	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.4	162.2	-54.5	171.6	0	0	0	105.2	T65 S112 T113 L195 Y196 F210 T212	T65-I169 WeakPolarHBondContact OG1-CD1 3.4Å; S112-I169 WeakPolarHBondContact CA-O 3.34Å; T113-I169 HydrophobicContact CG2-CB 4.24Å; T113-I169 PolarHBondContact N-O 3.42Å; T113-I169 WeakPolarHBondContact OG1-CB 3.33Å; T113-I169 PolarHBondContact OG1-N 3.45Å; T113-I169 VanDerWaalsContact OG1-N 3.08Å; I169-L195 HydrophobicContact CG2-CD1 3.5Å; I169-L195 VanDerWaalsContact CG2-CD1 3.5Å; I169-L195 HydrophobicContact CG2-CD2 4.4Å; I169-L195 HydrophobicContact CG2-CG 3.88Å; I169-Y196 CarbonylContact C-O 3.59Å; I169-F210 HydrophobicContact CD1-CB 3.8Å; I169-F210 WeakPolarHBondContact CD1-O 3.35Å; I169-F210 HydrophobicContact CG1-CB 4.1Å; I169-F210 HydrophobicContact CG2-CB 4.39Å; I169-T212 HydrophobicContact CD1-CG2 3.9Å; I169-T212 HydrophobicContact CG1-CG2 3.69Å
170	H	58.7	Low	56.7	Low	3 Å²	3	66.4 Å²	66.4	1%	0.014	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123	167.7	-64.9	128.3	0	0	0	109.1	S112 L125 L128 L152 S168 Y196 V198	S112-H170 PolarHBondContact OG-CD2 3.21Å; L125-H170 VanDerWaalsContact CD2-NE2 3.3Å; L125-H170 WeakPolarHBondContact CD2-NE2 3.47Å; L128-H170 VanDerWaalsContact CD2-NE2 3.32Å; L128-H170 WeakPolarHBondContact CD2-NE2 3.38Å; L152-H170 WeakPolarHBondContact CD2-CE1 3.37Å; L152-H170 WeakPolarHBondContact CD2-NE2 3.45Å; S168-H170 PolarHBondContact OG-CE1 2.96Å; S168-H170 VanDerWaalsContact OG-CE1 3.32Å; S168-H170 PolarHBondContact OG-NE2 3.33Å; H170-Y196 PolarHBondContact N-O 3.36Å; H170-Y196 PolarHBondContact O-N 3.09Å; H170-Y196 VanDerWaalsContact O-O 3.07Å; H170-V198 VanDerWaalsContact ND1-CG2 3.35Å; H170-V198 WeakPolarHBondContact ND1-CG2 3.45Å
171	W	58.2	Low	54.6	Low	11 Å²	11	65.7 Å²	65.7	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.5	170.2	169.8	46.1	0	0	0	108.7	V81 V83 M110 V111 F173 L195 R263	V81-W171 HydrophobicContact CB-CD2 4.06Å; V81-W171 HydrophobicContact CB-CG 4.29Å; V81-W171 HydrophobicContact CB-CZ2 3.65Å; V81-W171 HydrophobicContact CG1-CD2 3.94Å; V81-W171 HydrophobicContact CG1-CG 3.81Å; V81-W171 HydrophobicContact CG1-CZ2 4.43Å; V81-W171 HydrophobicContact CG2-CZ2 4.2Å; V83-W171 HydrophobicContact CG2-CB 4.19Å; V83-W171 HydrophobicContact CG2-CD2 4.27Å; V83-W171 HydrophobicContact CG2-CE3 3.83Å; V83-W171 HydrophobicContact CG2-CG 4.41Å; M110-W171 WeakPolarHBondContact CA-O 3.35Å; M110-W171 WeakPolarHBondContact CG-O 3.36Å; V111-W171 HydrophobicContact CB-CE3 4.42Å; V111-W171 HydrophobicContact CG1-CE3 4.38Å; V111-W171 HydrophobicContact CG1-CZ3 4.31Å; V111-W171 HydrophobicContact CG2-CE3 3.47Å; V111-W171 VanDerWaalsContact CG2-CE3 3.47Å; V111-W171 HydrophobicContact CG2-CZ3 4.05Å; V111-W171 PolarHBondContact N-O 3.39Å; V111-W171 PolarHBondContact O-N 3.39Å; W171-F173 HydrophobicContact CZ2-CB 3.65Å; W171-F173 HydrophobicContact CZ2-CD2 4.38Å; W171-F173 HydrophobicContact CZ2-CG 4.41Å; W171-L195 HydrophobicContact CB-CD1 3.85Å; W171-L195 HydrophobicContact CG-CD1 4.31Å; W171-R263 HydrophobicContact CH2-CB 3.5Å; W171-R263 HydrophobicContact CH2-CG 4.48Å; W171-R263 HydrophobicContact CZ2-CB 3.99Å
172	L	54.2	Low	52.7	Low	2 Å²	2	67.5 Å²	67.5	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.2	160.6	-179.2	65.3	0	0	0	109.6	C109 M110 I143 A145 L174 A194	C109-L172 HydrophobicContact CB-CD1 3.92Å; C109-L172 WeakPolarHBondContact O-CD1 3.44Å; C109-L172 WeakPolarHBondContact SG-CD1 3.29Å; M110-L172 HydrophobicContact CB-CD1 3.5Å; M110-L172 HydrophobicContact CE-CB 4.03Å; M110-L172 HydrophobicContact CE-CD1 3.56Å; M110-L172 HydrophobicContact CE-CD2 3.78Å; M110-L172 HydrophobicContact CE-CG 3.97Å; M110-L172 HydrophobicContact CG-CB 3.97Å; M110-L172 HydrophobicContact CG-CD1 3.87Å; M110-L172 HydrophobicContact CG-CG 4.48Å; I143-L172 WeakPolarHBondContact O-CD2 3.03Å; A145-L172 HydrophobicContact CB-CB 3.22Å; A145-L172 HydrophobicContact CB-CD2 3.55Å; A145-L172 HydrophobicContact CB-CG 3.93Å; L172-L174 HydrophobicContact CD1-CG 4.33Å; L172-L174 HydrophobicContact CD2-CB 4.37Å; L172-L174 HydrophobicContact CD2-CD1 3.37Å; L172-L174 HydrophobicContact CD2-CG 3.52Å; L172-L174 HydrophobicContact CG-CD1 4.37Å; L172-L174 HydrophobicContact CG-CG 4Å; L172-A194 PolarHBondContact N-O 3.49Å; L172-A194 VanDerWaalsContact N-O 3.15Å; L172-A194 PolarHBondContact O-N 3.45Å; L172-A194 VanDerWaalsContact O-N 3.16Å
173	F	50.6	Low	50.9	Low	7 Å²	7	71.2 Å²	71.2	3%	0.031	36%	0.358	C	S	.	.			trans	-102.3	113.2	159.8	-174.2	-86.2	0	0	0	108.7	C109 W171 M193 W265	C109-F173 WeakPolarHBondContact CB-O 3.32Å; C109-F173 PolarHBondContact O-N 3.46Å; W171-F173 HydrophobicContact CZ2-CB 3.65Å; W171-F173 HydrophobicContact CZ2-CD2 4.38Å; W171-F173 HydrophobicContact CZ2-CG 4.41Å; F173-M193 HydrophobicContact CD2-CG 3.85Å; F173-M193 HydrophobicContact CE2-CE 3.92Å; F173-M193 HydrophobicContact CE2-CG 3.79Å; F173-M193 HydrophobicContact CE2-SD 4.4Å; F173-W265 HydrophobicContact CE2-CZ2 4.43Å; F173-W265 AromaticContact CE2-NE1 3.82Å; F173-W265 AromaticContact CZ-CD2 3.88Å; F173-W265 HydrophobicContact CZ-CD2 3.88Å; F173-W265 AromaticContact CZ-CE2 3.49Å; F173-W265 VanDerWaalsContact CZ-CE2 3.49Å; F173-W265 HydrophobicContact CZ-CE3 4.5Å; F173-W265 HydrophobicContact CZ-CG 4.26Å; F173-W265 HydrophobicContact CZ-CH2 4.43Å; F173-W265 AromaticContact CZ-CZ2 3.78Å; F173-W265 HydrophobicContact CZ-CZ2 3.78Å; F173-W265 AromaticContact CZ-NE1 3.66Å
174	L	38.8	Very low	48.9	Very low	9 Å²	9	79.2 Å²	79.2	5%	0.047	37%	0.367	C	S	.	.			trans	-109.9	131.9	160.8	-86.6	168.1	0	0	0	108.8	R142 T144 L172 Q191	R142-L174 HydrophobicContact CB-CD2 4.01Å; T144-L174 HydrophobicContact CG2-CD1 4.17Å; L172-L174 HydrophobicContact CD1-CG 4.33Å; L172-L174 HydrophobicContact CD2-CB 4.37Å; L172-L174 HydrophobicContact CD2-CD1 3.37Å; L172-L174 HydrophobicContact CD2-CG 3.52Å; L172-L174 HydrophobicContact CG-CD1 4.37Å; L172-L174 HydrophobicContact CG-CG 4Å; L174-Q191 CarbonylContact C-O 3.34Å; L174-Q191 HydrophobicContact CB-CB 4.12Å; L174-Q191 VanDerWaalsContact CB-O 3.31Å; L174-Q191 WeakPolarHBondContact CB-O 3.37Å; L174-Q191 HydrophobicContact CD1-CB 4.21Å
175	Y	37.2	Very low	46.9	Very low	81 Å²	81	86 Å²	86	32%	0.318	40%	0.403	S	S	.	.			trans	-132.1	104.7	143.6	-176.6	-113.5	0	0	0	105	R177 W265	Y175-R177 HydrophobicContact CD1-CB 3.97Å; Y175-R177 HydrophobicContact CE1-CB 3.47Å; Y175-R177 VanDerWaalsContact CE1-CB 3.47Å; Y175-R177 HydrophobicContact CE1-CG 3.82Å; Y175-R177 PolarHBondContact O-N 2.93Å; Y175-W265 AromaticContact CD1-CH2 3.54Å; Y175-W265 HydrophobicContact CD1-CH2 3.54Å; Y175-W265 AromaticContact CD1-CZ3 3.36Å; Y175-W265 HydrophobicContact CD1-CZ3 3.36Å; Y175-W265 AromaticContact CD2-CH2 3.55Å; Y175-W265 HydrophobicContact CD2-CH2 3.55Å; Y175-W265 HydrophobicContact CD2-CZ3 4.26Å; Y175-W265 HydrophobicContact CE1-CH2 4.02Å; Y175-W265 AromaticContact CE1-CZ3 3.8Å; Y175-W265 HydrophobicContact CE1-CZ3 3.8Å; Y175-W265 HydrophobicContact CE2-CH2 4.08Å; Y175-W265 AromaticContact CG-CH2 3.25Å; Y175-W265 HydrophobicContact CG-CH2 3.25Å; Y175-W265 HydrophobicContact CG-CZ2 4.34Å; Y175-W265 AromaticContact CG-CZ3 3.6Å; Y175-W265 HydrophobicContact CG-CZ3 3.6Å
176	C	34.2	Very low	45	Very low	63 Å²	63	86.8 Å²	86.8	43%	0.426	41%	0.411	S	S	.	.			trans	-87.6	94.4	165.9	-86.9	0	0	0	0	107.1
177	R	36.5	Very low	43.2	Very low	195 Å²	195	95.5 Å²	95.5	74%	0.736	44%	0.444	S	S	*	.			trans	-79.4	122.6	159.6	-151.3	177	167.1	142.5	-3.3	107.9	Y175 L179	Y175-R177 HydrophobicContact CD1-CB 3.97Å; Y175-R177 HydrophobicContact CE1-CB 3.47Å; Y175-R177 VanDerWaalsContact CE1-CB 3.47Å; Y175-R177 HydrophobicContact CE1-CG 3.82Å; Y175-R177 PolarHBondContact O-N 2.93Å; R177-L179 PolarHBondContact O-N 2.99Å
178	R	34.1	Very low	41.6	Very low	152 Å²	152	97.8 Å²	97.8	57%	0.574	47%	0.467	S	S	*	.			trans	-68.5	112.3	173.5	-174.8	176.7	-160.5	154.3	-3.7	109.2	E180 A186	R178-E180 PolarHBondContact O-N 3.36Å; R178-A186 PolarHBondContact NH1-O 2.91Å
179	L	34.9	Very low	40.7	Very low	156 Å²	156	102.8 Å²	102.8	82%	0.817	49%	0.489	S	S	*	.			trans	-82	101.3	160.9	-86.3	160.9	0	0	0	107.7	R177	R177-L179 PolarHBondContact O-N 2.99Å
180	E	36.3	Very low	40	Very low	158 Å²	158	107.3 Å²	107.3	74%	0.738	52%	0.516	S	S	*	.			trans	44.7	128.2	145.5	-76.7	177.6	-171.1	0	0	122.2	R178	R178-E180 PolarHBondContact O-N 3.36Å
181	S	32.4	Very low	39.5	Very low	90 Å²	90	108.5 Å²	108.5	63%	0.629	52%	0.522	S	S	*	.			trans	62.1	87.2	132.6	-46.4	0	0	0	0	116.6
182	H	32.9	Very low	39.6	Very low	191 Å²	191	115.1 Å²	115.1	88%	0.884	55%	0.553	S	S	*	*			trans	156.2	136.4	134.5	-81.6	90.7	0	0	0	108.2
183	F	36.3	Very low	40.4	Very low	201 Å²	201	117 Å²	117	88%	0.882	56%	0.563	S	S	*	*			trans	81.6	116.2	174.2	-126.7	-103.3	0	0	0	118.2	L185	F183-L185 PolarHBondContact O-N 3.49Å
184	R	30	Very low	41.7	Very low	235 Å²	235	116.8 Å²	116.8	89%	0.887	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	104.8	-179.8	-69.6	163.8	166.2	161.7	-5.3	110.1
185	L	33.4	Very low	44	Very low	173 Å²	173	116.4 Å²	116.4	91%	0.906	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	163.1	13.8	149.1	-94.2	154.5	0	0	0	115.8	F183 R187	F183-L185 PolarHBondContact O-N 3.49Å; L185-R187 PolarHBondContact O-N 3.27Å; L185-R187 VanDerWaalsContact O-N 3.14Å
186	A	36.3	Very low	46.5	Very low	58 Å²	58	113.3 Å²	113.3	48%	0.479	55%	0.548	S	S	.	.			trans	-79	109.1	-178	0	0	0	0	0	113.5	R178 A188	R178-A186 PolarHBondContact NH1-O 2.91Å; A186-A188 PolarHBondContact O-N 3.07Å
187	R	39.8	Very low	49.1	Very low	184 Å²	184	111.9 Å²	111.9	69%	0.694	54%	0.535	S	S	*	.			trans	-56.5	116.8	160.6	-90.9	179.4	171.2	-176.7	-3	108.7	D15 L185 F189	D15-R187 IonicContact OD1-NH1 3.66Å; L185-R187 PolarHBondContact O-N 3.27Å; L185-R187 VanDerWaalsContact O-N 3.14Å; R187-F189 HydrophobicContact CB-CD2 4.26Å; R187-F189 HydrophobicContact CB-CE2 4.03Å; R187-F189 PolarHBondContact O-N 3.19Å; R187-F189 VanDerWaalsContact O-N 3.15Å
188	A	36.6	Very low	51.6	Low	83 Å²	83	102.6 Å²	102.6	69%	0.686	50%	0.5	S	S	*	.			trans	-73.5	99.8	172.3	0	0	0	0	0	109.3	A186 V190	A186-A188 PolarHBondContact O-N 3.07Å; A188-V190 PolarHBondContact O-N 2.79Å
189	F	43.9	Very low	54.1	Low	105 Å²	105	96.2 Å²	96.2	46%	0.461	48%	0.479	S	S	.	.			trans	-83.6	91.2	166	-78.8	-81.9	0	0	0	108.9	R187 Q191	R187-F189 HydrophobicContact CB-CD2 4.26Å; R187-F189 HydrophobicContact CB-CE2 4.03Å; R187-F189 PolarHBondContact O-N 3.19Å; R187-F189 VanDerWaalsContact O-N 3.15Å; F189-Q191 PolarHBondContact O-N 3.28Å
190	V	44.2	Very low	56.4	Low	96 Å²	96	90.7 Å²	90.7	58%	0.582	45%	0.45	S	S	*	.			trans	-82	97.3	164.2	-177.4	0	0	0	0	106.2	A188	A188-V190 PolarHBondContact O-N 2.79Å
191	Q	48.7	Very low	58.7	Low	29 Å²	29	86.6 Å²	86.6	14%	0.136	43%	0.433	C	S	.	.			trans	-103	103.8	168.7	-174.6	169.8	19.9	0	0	109.4	L174 F189	L174-Q191 CarbonylContact C-O 3.34Å; L174-Q191 HydrophobicContact CB-CB 4.12Å; L174-Q191 VanDerWaalsContact CB-O 3.31Å; L174-Q191 WeakPolarHBondContact CB-O 3.37Å; L174-Q191 HydrophobicContact CD1-CB 4.21Å; F189-Q191 PolarHBondContact O-N 3.28Å
192	E	59.9	Low	61	Low	149 Å²	149	82.7 Å²	82.7	70%	0.696	41%	0.408	S	S	*	.			trans	-56.1	166.3	171.8	-61.6	170.6	171.1	0	0	112.6	A194	E192-A194 PolarHBondContact O-N 3.16Å; E192-A194 VanDerWaalsContact O-N 3.07Å
193	M	72.4	Confident	63.6	Low	43 Å²	43	75.7 Å²	75.7	21%	0.212	38%	0.378	C	S	.	.			trans	-44.3	116.8	176	-59.4	177.8	-166	0	0	110.9	V69 G80 V81 F173 W265	V69-M193 HydrophobicContact CG1-CB 3.88Å; V69-M193 HydrophobicContact CG1-SD 3.85Å; G80-M193 VanDerWaalsContact C-SD 3.57Å; G80-M193 WeakPolarHBondContact CA-SD 3.4Å; V81-M193 HydrophobicContact CG2-CB 3.84Å; V81-M193 HydrophobicContact CG2-CG 4.23Å; V81-M193 HydrophobicContact CG2-SD 4.24Å; F173-M193 HydrophobicContact CD2-CG 3.85Å; F173-M193 HydrophobicContact CE2-CE 3.92Å; F173-M193 HydrophobicContact CE2-CG 3.79Å; F173-M193 HydrophobicContact CE2-SD 4.4Å; M193-W265 VanDerWaalsContact CE-NE1 3.29Å
194	A	77.9	Confident	66	Low	1 Å²	1	69.3 Å²	69.3	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.2	-173.4	0	0	0	0	0	111.7	A145 L172 E192 Y196	A145-A194 HydrophobicContact CB-CB 3.94Å; L172-A194 PolarHBondContact N-O 3.49Å; L172-A194 VanDerWaalsContact N-O 3.15Å; L172-A194 PolarHBondContact O-N 3.45Å; L172-A194 VanDerWaalsContact O-N 3.16Å; E192-A194 PolarHBondContact O-N 3.16Å; E192-A194 VanDerWaalsContact O-N 3.07Å; A194-Y196 HydrophobicContact CB-CD2 4.18Å; A194-Y196 HydrophobicContact CB-CE2 3.69Å
195	L	86.7	Confident	68.8	Low	1 Å²	1	63.8 Å²	63.8	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.6	174	-164.8	73.9	0	0	0	108.9	G67 V69 V81 I169 W171 K206 G207 F210	G67-L195 VanDerWaalsContact O-CD2 3.24Å; G67-L195 WeakPolarHBondContact O-CD2 3.41Å; V69-L195 HydrophobicContact CG2-CB 4.11Å; V81-L195 HydrophobicContact CG1-CD1 4.19Å; I169-L195 HydrophobicContact CG2-CD1 3.5Å; I169-L195 VanDerWaalsContact CG2-CD1 3.5Å; I169-L195 HydrophobicContact CG2-CD2 4.4Å; I169-L195 HydrophobicContact CG2-CG 3.88Å; W171-L195 HydrophobicContact CB-CD1 3.85Å; W171-L195 HydrophobicContact CG-CD1 4.31Å; L195-K206 WeakPolarHBondContact O-CA 3.38Å; L195-G207 WeakPolarHBondContact CB-O 3.16Å; L195-G207 PolarHBondContact O-N 3.23Å; L195-G207 VanDerWaalsContact O-N 3.08Å; L195-F210 HydrophobicContact CB-CD2 4.46Å; L195-F210 HydrophobicContact CD2-CB 4.22Å; L195-F210 HydrophobicContact CD2-CD2 3.51Å; L195-F210 HydrophobicContact CD2-CE2 4.3Å; L195-F210 HydrophobicContact CD2-CG 4.24Å; L195-F210 HydrophobicContact CG-CD2 3.72Å; L195-F210 HydrophobicContact CG-CE2 4.3Å
196	Y	88.9	Confident	71.4	Confident	16 Å²	16	62 Å²	62	6%	0.063	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126	178.6	-74.8	-87.9	0	0	0	110.1	A145 I169 H170 A194 R204 K205 K206	A145-Y196 HydrophobicContact CB-CD2 3.93Å; A145-Y196 HydrophobicContact CB-CE2 3.73Å; I169-Y196 CarbonylContact C-O 3.59Å; H170-Y196 PolarHBondContact N-O 3.36Å; H170-Y196 PolarHBondContact O-N 3.09Å; H170-Y196 VanDerWaalsContact O-O 3.07Å; A194-Y196 HydrophobicContact CB-CD2 4.18Å; A194-Y196 HydrophobicContact CB-CE2 3.69Å; Y196-R204 HydrophobicContact CD1-CG 4.3Å; Y196-R204 VanDerWaalsContact CE1-NH2 3.28Å; Y196-K205 CarbonylContact C-O 3.54Å; Y196-K205 VanDerWaalsContact CA-O 3.31Å; Y196-K205 WeakPolarHBondContact CA-O 3.42Å; Y196-K206 HydrophobicContact CD1-CB 4.01Å; Y196-K206 HydrophobicContact CD1-CG 4.43Å; Y196-K206 HydrophobicContact CE1-CB 3.65Å; Y196-K206 HydrophobicContact CE1-CD 4.34Å; Y196-K206 HydrophobicContact CE1-CG 3.96Å; Y196-K206 HydrophobicContact CE2-CG 4.42Å
197	M	89.7	Confident	73.9	Confident	34 Å²	34	60.4 Å²	60.4	17%	0.167	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.6	166.2	-176.1	178.9	70	0	0	108.8	V167 R204 K205 F210 T212	V167-M197 HydrophobicContact CG1-CG 4.22Å; M197-R204 CarbonylContact O-C 3.17Å; M197-R204 VanDerWaalsContact O-CA 3.31Å; M197-R204 WeakPolarHBondContact O-CA 3.37Å; M197-K205 HydrophobicContact CE-CB 4.44Å; M197-K205 HydrophobicContact CE-CD 4.1Å; M197-K205 PolarHBondContact N-O 3.25Å; M197-K205 PolarHBondContact O-N 2.82Å; M197-F210 HydrophobicContact CB-CD1 3.86Å; M197-F210 HydrophobicContact CB-CD2 3.87Å; M197-F210 HydrophobicContact CB-CE1 3.9Å; M197-F210 HydrophobicContact CB-CE2 3.91Å; M197-F210 HydrophobicContact CB-CG 3.86Å; M197-F210 HydrophobicContact CB-CZ 3.92Å; M197-F210 HydrophobicContact CE-CD1 4.35Å; M197-F210 HydrophobicContact CE-CE1 4.2Å; M197-F210 HydrophobicContact CG-CD1 4.45Å; M197-F210 HydrophobicContact SD-CD1 3.88Å; M197-F210 HydrophobicContact SD-CE1 4.3Å; M197-F210 HydrophobicContact SD-CG 4.44Å; M197-T212 HydrophobicContact CG-CG2 4.31Å; M197-T212 HydrophobicContact SD-CG2 4.03Å
198	V	89	Confident	76.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.9	174.2	-174.3	0	0	0	0	108.8	L152 Q153 L156 V167 S168 H170 T203 R204	L152-V198 HydrophobicContact CD2-CB 4.39Å; L152-V198 HydrophobicContact CD2-CG1 4.13Å; L152-V198 HydrophobicContact CG-CG1 4.36Å; Q153-V198 HydrophobicContact CB-CG1 4.37Å; L156-V198 HydrophobicContact CD1-CG1 3.78Å; V167-V198 WeakPolarHBondContact CA-O 3.48Å; S168-V198 PolarHBondContact N-O 3.49Å; S168-V198 PolarHBondContact O-N 2.93Å; S168-V198 VanDerWaalsContact O-O 3.13Å; H170-V198 VanDerWaalsContact ND1-CG2 3.35Å; H170-V198 WeakPolarHBondContact ND1-CG2 3.45Å; V198-T203 CarbonylContact C-O 3.53Å; V198-T203 VanDerWaalsContact CA-O 3.32Å; V198-T203 WeakPolarHBondContact CA-O 3.47Å; V198-R204 HydrophobicContact CG2-CG 4.25Å
199	S	86.6	Confident	78.9	Confident	17 Å²	17	55 Å²	55	12%	0.119	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.2	178.8	-163.7	0	0	0	0	111.1	V167 D201 G202 T203	V167-S199 WeakPolarHBondContact CG2-OG 3.17Å; S199-D201 VanDerWaalsContact CB-OD1 3.24Å; S199-D201 WeakPolarHBondContact CB-OD1 3.28Å; S199-D201 PolarHBondContact O-N 3.27Å; S199-G202 PolarHBondContact O-N 2.85Å; S199-T203 PolarHBondContact N-O 2.65Å
200	D	83	Confident	81.3	Confident	41 Å²	41	50.8 Å²	50.8	22%	0.219	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-28.2	172.4	52.1	1.1	0	0	0	115.5	S165 M166 G202	S165-D200 VanDerWaalsContact CA-OD2 3.28Å; S165-D200 WeakPolarHBondContact CA-OD2 3.41Å; M166-D200 HydrophobicContact CG-CB 4.42Å; M166-D200 PolarHBondContact N-OD2 3.35Å; M166-D200 WeakPolarHBondContact O-CB 3.34Å; M166-D200 PolarHBondContact O-N 3.31Å; D200-G202 PolarHBondContact O-N 3.39Å
201	D	83.3	Confident	83.6	Confident	71 Å²	71	46.5 Å²	46.5	38%	0.38	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-6	174.2	73.2	-19.1	0	0	0	113.8	K160 S199 T203	K160-D201 WeakPolarHBondContact CE-O 3.37Å; K160-D201 PolarHBondContact NZ-O 3.44Å; S199-D201 VanDerWaalsContact CB-OD1 3.24Å; S199-D201 WeakPolarHBondContact CB-OD1 3.28Å; S199-D201 PolarHBondContact O-N 3.27Å; D201-T203 WeakPolarHBondContact OD1-CA 3.4Å; D201-T203 WeakPolarHBondContact OD1-CB 3.12Å; D201-T203 PolarHBondContact OD1-N 3.46Å; D201-T203 PolarHBondContact OD1-OG1 2.82Å; D201-T203 PolarHBondContact OD2-OG1 3.06Å
202	G	81.1	Confident	85.6	Confident	9 Å²	9	45.4 Å²	45.4	9%	0.093	23%	0.225	C	C	.	.	S	Bend	trans	89.6	4	-174.5	0	0	0	0	0	113.6	Q153 S199 D200 R204	Q153-G202 WeakPolarHBondContact CG-O 3.48Å; Q153-G202 PolarHBondContact NE2-O 3.48Å; S199-G202 PolarHBondContact O-N 2.85Å; D200-G202 PolarHBondContact O-N 3.39Å; G202-R204 PolarHBondContact O-N 2.9Å
203	T	87.3	Confident	86.9	Confident	43 Å²	43	39.8 Å²	39.8	26%	0.264	21%	0.206	S	C	.	.			trans	-68.2	125.9	176.6	-69.1	0	0	0	0	109.7	V198 S199 D201 K205	V198-T203 CarbonylContact C-O 3.53Å; V198-T203 VanDerWaalsContact CA-O 3.32Å; V198-T203 WeakPolarHBondContact CA-O 3.47Å; S199-T203 PolarHBondContact N-O 2.65Å; D201-T203 WeakPolarHBondContact OD1-CA 3.4Å; D201-T203 WeakPolarHBondContact OD1-CB 3.12Å; D201-T203 PolarHBondContact OD1-N 3.46Å; D201-T203 PolarHBondContact OD1-OG1 2.82Å; D201-T203 PolarHBondContact OD2-OG1 3.06Å; T203-K205 HydrophobicContact CG2-CD 4.01Å; T203-K205 HydrophobicContact CG2-CG 3.84Å
204	R	87.2	Confident	87.8	Confident	67 Å²	67	40.4 Å²	40.4	25%	0.253	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118	171.7	176.8	178.2	168.4	-90.6	8.7	109.2	S146 S149 Q153 Y196 M197 V198 G202	S146-R204 VanDerWaalsContact CA-NH2 3.35Å; S146-R204 PolarHBondContact O-NH2 3.31Å; S146-R204 VanDerWaalsContact O-NH2 3.17Å; S146-R204 PolarHBondContact OG-NH2 3.15Å; S149-R204 PolarHBondContact OG-NE 2.82Å; S149-R204 PolarHBondContact OG-NH2 3.13Å; Q153-R204 HydrophobicContact CB-CB 4.4Å; Q153-R204 HydrophobicContact CG-CB 4.12Å; Y196-R204 HydrophobicContact CD1-CG 4.3Å; Y196-R204 VanDerWaalsContact CE1-NH2 3.28Å; M197-R204 CarbonylContact O-C 3.17Å; M197-R204 VanDerWaalsContact O-CA 3.31Å; M197-R204 WeakPolarHBondContact O-CA 3.37Å; V198-R204 HydrophobicContact CG2-CG 4.25Å; G202-R204 PolarHBondContact O-N 2.9Å
205	K	88.8	Confident	88.4	Confident	119 Å²	119	40.4 Å²	40.4	52%	0.517	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132	-178.8	-69.2	-177.6	178.5	178.2	0	111	Y196 M197 T203 F210	Y196-K205 CarbonylContact C-O 3.54Å; Y196-K205 VanDerWaalsContact CA-O 3.31Å; Y196-K205 WeakPolarHBondContact CA-O 3.42Å; M197-K205 HydrophobicContact CE-CB 4.44Å; M197-K205 HydrophobicContact CE-CD 4.1Å; M197-K205 PolarHBondContact N-O 3.25Å; M197-K205 PolarHBondContact O-N 2.82Å; T203-K205 HydrophobicContact CG2-CD 4.01Å; T203-K205 HydrophobicContact CG2-CG 3.84Å; K205-F210 HydrophobicContact CB-CE1 4.38Å; K205-F210 HydrophobicContact CB-CZ 4.05Å; K205-F210 WeakPolarHBondContact O-CZ 3.33Å
206	K	88.2	Confident	88.6	Confident	135 Å²	135	41.3 Å²	41.3	59%	0.587	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87	138.3	166.8	-168.7	-176.3	178.5	-172.9	0	108.4	L195 Y196	L195-K206 WeakPolarHBondContact O-CA 3.38Å; Y196-K206 HydrophobicContact CD1-CB 4.01Å; Y196-K206 HydrophobicContact CD1-CG 4.43Å; Y196-K206 HydrophobicContact CE1-CB 3.65Å; Y196-K206 HydrophobicContact CE1-CD 4.34Å; Y196-K206 HydrophobicContact CE1-CG 3.96Å; Y196-K206 HydrophobicContact CE2-CG 4.42Å
207	G	88.6	Confident	88.8	Confident	25 Å²	25	47.2 Å²	47.2	26%	0.258	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	178.6	-179.3	0	0	0	0	0	112.7	L195	L195-G207 WeakPolarHBondContact CB-O 3.16Å; L195-G207 PolarHBondContact O-N 3.23Å; L195-G207 VanDerWaalsContact O-N 3.08Å
208	K	89.8	Confident	89	Confident	123 Å²	123	47.9 Å²	47.9	54%	0.535	26%	0.258	S	S	.	.	S	Bend	trans	-98	-28.7	175.4	-67.4	-170.3	177.2	-168.7	0	113.1	F68 V69	F68-K208 CarbonylContact C-O 3.48Å; F68-K208 WeakPolarHBondContact CA-O 3.45Å; F68-K208 WeakPolarHBondContact CB-O 3.46Å; V69-K208 PolarHBondContact N-O 3.42Å
209	V	92.4	Very high	89.2	Confident	30 Å²	30	47.9 Å²	47.9	18%	0.182	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	128.6	-178.3	-176.4	0	0	0	0	108.1	L66 G67 F68 Y220 M223 Y227	L66-V209 HydrophobicContact CD1-CG1 4.34Å; G67-V209 WeakPolarHBondContact O-CA 3.45Å; F68-V209 HydrophobicContact CB-CB 4.28Å; F68-V209 HydrophobicContact CB-CG1 4.25Å; F68-V209 HydrophobicContact CB-CG2 3.85Å; V209-Y220 HydrophobicContact CG1-CE1 4.26Å; V209-M223 HydrophobicContact CG1-CB 4.37Å; V209-M223 HydrophobicContact CG1-CE 3.89Å; V209-M223 HydrophobicContact CG1-CG 4.35Å; V209-M223 HydrophobicContact CG2-CE 4.41Å; V209-Y227 HydrophobicContact CG2-CD1 3.85Å; V209-Y227 HydrophobicContact CG2-CD2 4.1Å; V209-Y227 HydrophobicContact CG2-CE1 3.61Å; V209-Y227 HydrophobicContact CG2-CE2 3.89Å; V209-Y227 HydrophobicContact CG2-CG 4.08Å
210	F	93.7	Very high	89.6	Confident	17 Å²	17	50 Å²	50	8%	0.075	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138	169.3	-68.8	-61	0	0	0	110.1	L66 G67 I169 L195 M197 K205 Y220	L66-F210 CarbonylContact C-O 3.58Å; L66-F210 WeakPolarHBondContact CA-O 3.34Å; G67-F210 PolarHBondContact N-O 3.42Å; G67-F210 PolarHBondContact O-N 3.46Å; I169-F210 HydrophobicContact CD1-CB 3.8Å; I169-F210 WeakPolarHBondContact CD1-O 3.35Å; I169-F210 HydrophobicContact CG1-CB 4.1Å; I169-F210 HydrophobicContact CG2-CB 4.39Å; L195-F210 HydrophobicContact CB-CD2 4.46Å; L195-F210 HydrophobicContact CD2-CB 4.22Å; L195-F210 HydrophobicContact CD2-CD2 3.51Å; L195-F210 HydrophobicContact CD2-CE2 4.3Å; L195-F210 HydrophobicContact CD2-CG 4.24Å; L195-F210 HydrophobicContact CG-CD2 3.72Å; L195-F210 HydrophobicContact CG-CE2 4.3Å; M197-F210 HydrophobicContact CB-CD1 3.86Å; M197-F210 HydrophobicContact CB-CD2 3.87Å; M197-F210 HydrophobicContact CB-CE1 3.9Å; M197-F210 HydrophobicContact CB-CE2 3.91Å; M197-F210 HydrophobicContact CB-CG 3.86Å; M197-F210 HydrophobicContact CB-CZ 3.92Å; M197-F210 HydrophobicContact CE-CD1 4.35Å; M197-F210 HydrophobicContact CE-CE1 4.2Å; M197-F210 HydrophobicContact CG-CD1 4.45Å; M197-F210 HydrophobicContact SD-CD1 3.88Å; M197-F210 HydrophobicContact SD-CE1 4.3Å; M197-F210 HydrophobicContact SD-CG 4.44Å; K205-F210 HydrophobicContact CB-CE1 4.38Å; K205-F210 HydrophobicContact CB-CZ 4.05Å; K205-F210 WeakPolarHBondContact O-CZ 3.33Å; F210-Y220 WeakPolarHBondContact CA-OH 3.37Å
211	S	92.4	Very high	90.2	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.1	164.1	-172.4	0	0	0	0	109.4	T65 S216 Y220	T65-S211 CarbonylContact O-C 3.55Å; T65-S211 WeakPolarHBondContact O-CA 3.49Å; T65-S211 WeakPolarHBondContact O-CB 3.36Å; T65-S211 PolarHBondContact O-OG 3.2Å; S211-S216 VanDerWaalsContact OG-CA 3.31Å; S211-S216 WeakPolarHBondContact OG-CA 3.43Å; S211-S216 WeakPolarHBondContact OG-CB 3.47Å; S211-Y220 VanDerWaalsContact N-CZ 3.25Å; S211-Y220 PolarHBondContact N-OH 2.86Å; S211-Y220 WeakPolarHBondContact O-CE2 3.49Å
212	T	90.6	Very high	90.7	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.043	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.7	-176.6	67.8	0	0	0	0	111.3	T65 A115 V167 I169 M197	T65-T212 PolarHBondContact N-O 3.07Å; T65-T212 PolarHBondContact O-N 2.79Å; T65-T212 PolarHBondContact OG1-OG1 3.31Å; A115-T212 VanDerWaalsContact CB-OG1 3.31Å; A115-T212 WeakPolarHBondContact CB-OG1 3.48Å; V167-T212 HydrophobicContact CB-CG2 4.47Å; V167-T212 HydrophobicContact CG1-CG2 3.54Å; I169-T212 HydrophobicContact CD1-CG2 3.9Å; I169-T212 HydrophobicContact CG1-CG2 3.69Å; M197-T212 HydrophobicContact CG-CG2 4.31Å; M197-T212 HydrophobicContact SD-CG2 4.03Å
213	G	88.3	Confident	91.4	Very high	30 Å²	30	47 Å²	47	31%	0.309	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	99.6	-176.7	-176.8	0	0	0	0	0	113.8	T63 G215 S216	T63-G213 CarbonylContact O-C 3.5Å; T63-G213 WeakPolarHBondContact O-CA 3.47Å; G213-G215 PolarHBondContact O-N 3.15Å; G213-S216 VanDerWaalsContact O-CB 3.28Å; G213-S216 WeakPolarHBondContact O-CB 3.1Å; G213-S216 PolarHBondContact O-N 2.82Å; G213-S216 PolarHBondContact O-OG 3.47Å
214	S	89.5	Confident	91.7	Very high	57 Å²	57	51.2 Å²	51.2	40%	0.399	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-38.4	-173.5	50.2	0	0	0	0	113.4	G62 T63 S216 D251	G62-S214 WeakPolarHBondContact CA-OG 3.44Å; T63-S214 PolarHBondContact N-OG 2.7Å; T63-S214 VanDerWaalsContact N-OG 3.08Å; T63-S214 PolarHBondContact O-N 2.67Å; T63-S214 PolarHBondContact O-OG 3.11Å; S214-S216 VanDerWaalsContact C-N 3.33Å; S214-D251 WeakPolarHBondContact CB-OD2 3.37Å; S214-D251 PolarHBondContact OG-OD2 2.98Å
215	G	90.7	Very high	92.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	8.1	179.7	0	0	0	0	0	114.3	T63 T64 G213 L217 N218 A219 A247 D251	T63-G215 PolarHBondContact O-N 3.14Å; T64-G215 WeakPolarHBondContact OG1-CA 3.28Å; T64-G215 PolarHBondContact OG1-N 2.8Å; G213-G215 PolarHBondContact O-N 3.15Å; G215-L217 VanDerWaalsContact C-N 3.32Å; G215-L217 PolarHBondContact O-N 2.84Å; G215-N218 WeakPolarHBondContact O-CB 3.45Å; G215-N218 PolarHBondContact O-N 3.47Å; G215-N218 VanDerWaalsContact O-N 3.1Å; G215-A219 PolarHBondContact O-N 3.37Å; G215-A219 VanDerWaalsContact O-N 3.15Å; G215-A247 WeakPolarHBondContact O-CB 3.44Å; G215-D251 WeakPolarHBondContact CA-OD2 3.2Å; G215-D251 PolarHBondContact N-OD2 3.18Å
216	S	91.6	Very high	92.4	Very high	20 Å²	20	52.2 Å²	52.2	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-38.5	-177.2	56.6	0	0	0	0	113.7	S211 G213 S214 N218 A219 Y220	S211-S216 VanDerWaalsContact OG-CA 3.31Å; S211-S216 WeakPolarHBondContact OG-CA 3.43Å; S211-S216 WeakPolarHBondContact OG-CB 3.47Å; G213-S216 VanDerWaalsContact O-CB 3.28Å; G213-S216 WeakPolarHBondContact O-CB 3.1Å; G213-S216 PolarHBondContact O-N 2.82Å; G213-S216 PolarHBondContact O-OG 3.47Å; S214-S216 VanDerWaalsContact C-N 3.33Å; S216-N218 VanDerWaalsContact C-N 3.31Å; S216-N218 PolarHBondContact O-N 2.93Å; S216-A219 WeakPolarHBondContact O-CB 3.17Å; S216-A219 PolarHBondContact O-N 3.42Å; S216-A219 VanDerWaalsContact O-N 3.17Å; S216-Y220 WeakPolarHBondContact O-CD2 3.49Å; S216-Y220 PolarHBondContact O-N 3.16Å
217	L	92.9	Very high	92.7	Very high	140 Å²	140	48.3 Å²	48.3	73%	0.733	27%	0.272	S	S	*	.	H	α-helix	trans	-62.3	-37.8	177.1	-66.1	177.3	0	0	0	112.3	G215 A219 Y220 G221	G215-L217 VanDerWaalsContact C-N 3.32Å; G215-L217 PolarHBondContact O-N 2.84Å; L217-A219 VanDerWaalsContact C-N 3.35Å; L217-Y220 PolarHBondContact O-N 3.35Å; L217-G221 PolarHBondContact O-N 3.44Å
218	N	93.6	Very high	93	Very high	49 Å²	49	52.8 Å²	52.8	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-68.9	-35.7	176.2	-67	-48.8	0	0	0	111.7	G215 S216 H246 A247	G215-N218 WeakPolarHBondContact O-CB 3.45Å; G215-N218 PolarHBondContact O-N 3.47Å; G215-N218 VanDerWaalsContact O-N 3.1Å; S216-N218 VanDerWaalsContact C-N 3.31Å; S216-N218 PolarHBondContact O-N 2.93Å; N218-H246 PolarHBondContact O-ND1 2.98Å; N218-A247 HydrophobicContact CB-CB 3.99Å
219	A	93.2	Very high	93	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-43.7	174.4	0	0	0	0	0	111.1	T64 G215 S216 L217 G221 I222 M223 A243 A247	T64-A219 HydrophobicContact CG2-CB 4Å; G215-A219 PolarHBondContact O-N 3.37Å; G215-A219 VanDerWaalsContact O-N 3.15Å; S216-A219 WeakPolarHBondContact O-CB 3.17Å; S216-A219 PolarHBondContact O-N 3.42Å; S216-A219 VanDerWaalsContact O-N 3.17Å; L217-A219 VanDerWaalsContact C-N 3.35Å; A219-G221 VanDerWaalsContact C-N 3.32Å; A219-G221 PolarHBondContact O-N 2.86Å; A219-I222 PolarHBondContact O-N 3.14Å; A219-I222 VanDerWaalsContact O-N 3.14Å; A219-M223 WeakPolarHBondContact O-CG 3.42Å; A219-M223 PolarHBondContact O-N 2.96Å; A219-A243 HydrophobicContact CB-CB 4.45Å; A219-A247 HydrophobicContact CB-CB 4.33Å
220	Y	95.3	Very high	93	Very high	61 Å²	61	54.3 Å²	54.3	24%	0.239	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-41.9	175.2	-84.7	-61.6	0	0	0	112.2	V209 F210 S211 S216 L217 I222 M223 D224	V209-Y220 HydrophobicContact CG1-CE1 4.26Å; F210-Y220 WeakPolarHBondContact CA-OH 3.37Å; S211-Y220 VanDerWaalsContact N-CZ 3.25Å; S211-Y220 PolarHBondContact N-OH 2.86Å; S211-Y220 WeakPolarHBondContact O-CE2 3.49Å; S216-Y220 WeakPolarHBondContact O-CD2 3.49Å; S216-Y220 PolarHBondContact O-N 3.16Å; L217-Y220 PolarHBondContact O-N 3.35Å; Y220-I222 PolarHBondContact O-N 3.25Å; Y220-M223 CarbonylContact O-C 3.57Å; Y220-M223 PolarHBondContact O-N 3.01Å; Y220-D224 WeakPolarHBondContact O-CB 3.39Å; Y220-D224 PolarHBondContact O-N 3.45Å
221	G	95.1	Very high	92.9	Very high	38 Å²	38	53.9 Å²	53.9	39%	0.392	30%	0.295	S	S	.	.	H	α-helix	trans	-57.5	-34	176.9	0	0	0	0	0	114.3	L217 A219 S225	L217-G221 PolarHBondContact O-N 3.44Å; A219-G221 VanDerWaalsContact C-N 3.32Å; A219-G221 PolarHBondContact O-N 2.86Å; G221-S225 PolarHBondContact O-OG 3.02Å
222	I	94.9	Very high	92.8	Very high	18 Å²	18	54.8 Å²	54.8	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-75.5	-45.5	172.1	-59.1	-58.4	0	0	0	110.5	A219 Y220 D224 S225 Y226 L239 K242 A243 H246	A219-I222 PolarHBondContact O-N 3.14Å; A219-I222 VanDerWaalsContact O-N 3.14Å; Y220-I222 PolarHBondContact O-N 3.25Å; I222-D224 PolarHBondContact O-N 3.2Å; I222-S225 PolarHBondContact O-N 3.38Å; I222-Y226 HydrophobicContact CG2-CD2 3.89Å; I222-Y226 HydrophobicContact CG2-CE2 4.47Å; I222-Y226 VanDerWaalsContact O-CD2 3.29Å; I222-Y226 WeakPolarHBondContact O-CD2 3.3Å; I222-Y226 PolarHBondContact O-N 2.92Å; I222-Y226 VanDerWaalsContact O-N 3.09Å; I222-L239 HydrophobicContact CG2-CD1 4.04Å; I222-K242 HydrophobicContact CG2-CB 4.49Å; I222-K242 HydrophobicContact CG2-CD 4.48Å; I222-K242 HydrophobicContact CG2-CG 4.22Å; I222-A243 HydrophobicContact CB-CB 4.07Å; I222-A243 HydrophobicContact CG2-CB 3.99Å; I222-H246 HydrophobicContact CD1-CB 4.06Å; I222-H246 HydrophobicContact CG1-CB 3.66Å
223	M	94.8	Very high	92.6	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-59.7	-46.5	-179.9	-67.3	-56.2	-67.3	0	0	112.1	L66 F68 V209 A219 Y220 S225 Y226 Y227 L239 A243	L66-M223 HydrophobicContact CD1-CE 4.33Å; L66-M223 HydrophobicContact CD1-CG 3.72Å; L66-M223 HydrophobicContact CD1-SD 4.06Å; L66-M223 HydrophobicContact CD2-CG 4.25Å; L66-M223 HydrophobicContact CD2-SD 3.73Å; L66-M223 HydrophobicContact CG-SD 4.49Å; F68-M223 HydrophobicContact CB-CE 3.95Å; F68-M223 HydrophobicContact CD1-CE 3.4Å; F68-M223 HydrophobicContact CD1-SD 4.27Å; F68-M223 HydrophobicContact CD2-CE 4.31Å; F68-M223 HydrophobicContact CE1-CE 3.88Å; F68-M223 HydrophobicContact CE1-SD 4.35Å; F68-M223 HydrophobicContact CG-CE 3.63Å; V209-M223 HydrophobicContact CG1-CB 4.37Å; V209-M223 HydrophobicContact CG1-CE 3.89Å; V209-M223 HydrophobicContact CG1-CG 4.35Å; V209-M223 HydrophobicContact CG2-CE 4.41Å; A219-M223 WeakPolarHBondContact O-CG 3.42Å; A219-M223 PolarHBondContact O-N 2.96Å; Y220-M223 CarbonylContact O-C 3.57Å; Y220-M223 PolarHBondContact O-N 3.01Å; M223-S225 PolarHBondContact O-N 2.98Å; M223-S225 VanDerWaalsContact O-N 3.17Å; M223-Y226 PolarHBondContact O-N 3.08Å; M223-Y227 HydrophobicContact CE-CD2 3.75Å; M223-Y227 HydrophobicContact CE-CG 4.09Å; M223-Y227 WeakPolarHBondContact O-CA 2.89Å; M223-Y227 WeakPolarHBondContact O-CB 3.23Å; M223-Y227 PolarHBondContact O-N 3.42Å; M223-L239 HydrophobicContact CE-CD2 3.97Å; M223-L239 HydrophobicContact CE-CG 4.39Å; M223-L239 HydrophobicContact SD-CD1 4.07Å; M223-L239 HydrophobicContact SD-CD2 4.02Å; M223-L239 HydrophobicContact SD-CG 3.83Å; M223-A243 HydrophobicContact CG-CB 4.3Å; M223-A243 HydrophobicContact SD-CB 4.03Å
224	D	95	Very high	92.5	Very high	131 Å²	131	58.5 Å²	58.5	70%	0.701	31%	0.309	S	S	*	.	H	α-helix	trans	-62.1	-27.3	-178.6	-65.9	-20.8	0	0	0	112.5	Y220 I222	Y220-D224 WeakPolarHBondContact O-CB 3.39Å; Y220-D224 PolarHBondContact O-N 3.45Å; I222-D224 PolarHBondContact O-N 3.2Å
225	S	95	Very high	92.6	Very high	89 Å²	89	58.8 Å²	58.8	62%	0.622	30%	0.304	S	S	*	.	H	α-helix	trans	-87.2	-33.9	-179.5	-58.4	0	0	0	0	113.6	G221 I222 M223	G221-S225 PolarHBondContact O-OG 3.02Å; I222-S225 PolarHBondContact O-N 3.38Å; M223-S225 PolarHBondContact O-N 2.98Å; M223-S225 VanDerWaalsContact O-N 3.17Å
226	Y	94.7	Very high	92.5	Very high	119 Å²	119	58.8 Å²	58.8	47%	0.467	30%	0.304	S	S	.	.	H	α-helix	trans	-121.8	-15.8	-165.9	-64.2	-77.3	0	0	0	114.6	I222 M223 K228	I222-Y226 HydrophobicContact CG2-CD2 3.89Å; I222-Y226 HydrophobicContact CG2-CE2 4.47Å; I222-Y226 VanDerWaalsContact O-CD2 3.29Å; I222-Y226 WeakPolarHBondContact O-CD2 3.3Å; I222-Y226 PolarHBondContact O-N 2.92Å; I222-Y226 VanDerWaalsContact O-N 3.09Å; M223-Y226 PolarHBondContact O-N 3.08Å; Y226-K228 PolarHBondContact O-N 3.38Å
227	Y	95.1	Very high	92.3	Very high	52 Å²	52	59.2 Å²	59.2	20%	0.204	30%	0.304	C	S	.	.			trans	-66.5	130.2	179.7	175.4	-107.3	0	0	0	111.4	F68 V69 V209 M223 L239	F68-Y227 HydrophobicContact CB-CE2 4.15Å; F68-Y227 HydrophobicContact CD2-CD2 4.04Å; F68-Y227 AromaticContact CD2-CE2 3.75Å; F68-Y227 HydrophobicContact CD2-CE2 3.75Å; F68-Y227 HydrophobicContact CG-CD2 4.41Å; F68-Y227 HydrophobicContact CG-CE2 4.25Å; V69-Y227 WeakPolarHBondContact O-CE2 3.33Å; V69-Y227 PolarHBondContact O-OH 3.49Å; V209-Y227 HydrophobicContact CG2-CD1 3.85Å; V209-Y227 HydrophobicContact CG2-CD2 4.1Å; V209-Y227 HydrophobicContact CG2-CE1 3.61Å; V209-Y227 HydrophobicContact CG2-CE2 3.89Å; V209-Y227 HydrophobicContact CG2-CG 4.08Å; M223-Y227 HydrophobicContact CE-CD2 3.75Å; M223-Y227 HydrophobicContact CE-CG 4.09Å; M223-Y227 WeakPolarHBondContact O-CA 2.89Å; M223-Y227 WeakPolarHBondContact O-CB 3.23Å; M223-Y227 PolarHBondContact O-N 3.42Å; Y227-L239 HydrophobicContact CD2-CD2 4.25Å
228	K	94	Very high	92.2	Very high	120 Å²	120	58.6 Å²	58.6	52%	0.522	30%	0.297	S	S	.	.			trans	-126.2	141.9	172.4	-61.2	174.3	-174.7	174	0	108.3	Y226 Q230 M231	Y226-K228 PolarHBondContact O-N 3.38Å; K228-Q230 PolarHBondContact O-N 3.1Å; K228-M231 HydrophobicContact CB-CG 3.77Å; K228-M231 HydrophobicContact CB-SD 4.28Å; K228-M231 VanDerWaalsContact O-CG 3.26Å; K228-M231 WeakPolarHBondContact O-CG 3.35Å; K228-M231 VanDerWaalsContact O-SD 3.39Å
229	P	90.5	Very high	92.1	Very high	67 Å²	67	56.7 Å²	56.7	44%	0.435	29%	0.287	S	S	.	.	S	Bend	trans	-58.6	-34.4	174.2	-26.7	35.6	0	0	0	113	E71	E71-P229 PolarHBondContact N-O 2.85Å
230	Q	92.9	Very high	92	Very high	117 Å²	117	56.7 Å²	56.7	55%	0.547	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118	176.9	-67.9	174.9	-15.4	0	0	109.9	E71 K228	E71-Q230 HydrophobicContact CB-CG 4.2Å; E71-Q230 WeakPolarHBondContact O-CA 3.4Å; K228-Q230 PolarHBondContact O-N 3.1Å
231	M	90.8	Very high	91.6	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.044	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.4	-178	-62.2	-177.8	84.2	0	0	110	Y70 E71 K73 K228 E235 A236 L239	Y70-M231 HydrophobicContact CD2-CB 4.18Å; E71-M231 PolarHBondContact O-N 2.84Å; K73-M231 VanDerWaalsContact CB-C 3.49Å; K73-M231 PolarHBondContact N-O 2.85Å; K228-M231 HydrophobicContact CB-CG 3.77Å; K228-M231 HydrophobicContact CB-SD 4.28Å; K228-M231 VanDerWaalsContact O-CG 3.26Å; K228-M231 WeakPolarHBondContact O-CG 3.35Å; K228-M231 VanDerWaalsContact O-SD 3.39Å; M231-E235 HydrophobicContact CB-CB 4.26Å; M231-E235 HydrophobicContact CE-CB 4.06Å; M231-A236 HydrophobicContact CB-CB 4.4Å; M231-L239 HydrophobicContact CE-CB 4.18Å; M231-L239 HydrophobicContact CE-CD2 3.69Å; M231-L239 HydrophobicContact SD-CD2 3.86Å
232	T	90.8	Very high	91.4	Very high	25 Å²	25	58.5 Å²	58.5	15%	0.153	29%	0.286	C	S	.	.			trans	-72.1	156.7	165.5	74.3	0	0	0	0	110.4	K73 D77 E234 E235 A236	K73-T232 HydrophobicContact CB-CG2 4.28Å; K73-T232 HydrophobicContact CD-CG2 3.95Å; D77-T232 WeakPolarHBondContact OD1-CA 3.39Å; D77-T232 WeakPolarHBondContact OD1-CB 3.41Å; T232-E234 PolarHBondContact O-N 3.47Å; T232-E235 HydrophobicContact CG2-CG 4.4Å; T232-E235 PolarHBondContact N-OE2 2.59Å; T232-E235 VanDerWaalsContact N-OE2 3.1Å; T232-E235 PolarHBondContact O-N 2.83Å; T232-E235 WeakPolarHBondContact OG1-CB 3.48Å; T232-E235 WeakPolarHBondContact OG1-CG 3.05Å; T232-E235 PolarHBondContact OG1-N 3.23Å; T232-A236 WeakPolarHBondContact O-CB 3.09Å; T232-A236 PolarHBondContact O-N 3.24Å
233	D	85.1	Confident	91.3	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-34	179.4	-68.9	-7.6	0	0	0	110.9	Y70 D77 G79 K237 Q264	Y70-D233 WeakPolarHBondContact CE2-OD1 3.29Å; Y70-D233 PolarHBondContact OH-OD1 3.35Å; Y70-D233 VanDerWaalsContact OH-OD1 3.05Å; D77-D233 PolarHBondContact OD1-N 2.96Å; G79-D233 PolarHBondContact N-OD1 3.08Å; D233-K237 WeakPolarHBondContact O-CD 3.43Å; D233-K237 WeakPolarHBondContact O-CE 3.28Å; D233-K237 VanDerWaalsContact O-CG 3.22Å; D233-K237 WeakPolarHBondContact O-CG 3.18Å; D233-K237 PolarHBondContact O-N 3.29Å; D233-K237 VanDerWaalsContact O-N 3.16Å; D233-Q264 WeakPolarHBondContact OD2-CG 3.41Å; D233-Q264 PolarHBondContact OD2-NE2 2.89Å
234	E	87.1	Confident	91.2	Very high	113 Å²	113	57.5 Å²	57.5	53%	0.528	28%	0.281	S	S	.	.	H	α-helix	trans	-69.7	-47.2	173.5	-71.1	63.2	-135.4	0	0	112.7	T232 A236 K237 E238	T232-E234 PolarHBondContact O-N 3.47Å; E234-A236 PolarHBondContact O-N 3.01Å; E234-K237 PolarHBondContact O-N 3.4Å; E234-K237 IonicContact OE1-NZ 3.9Å; E234-E238 WeakPolarHBondContact O-CB 3.48Å; E234-E238 PolarHBondContact O-N 3.1Å
235	E	90.9	Very high	90.9	Very high	63 Å²	63	53.4 Å²	53.4	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-57.6	-40.6	177.4	-79.2	174.1	173.8	0	0	110.3	K73 M231 T232 L239	K73-E235 IonicContact NZ-OE1 3.11Å; K73-E235 PolarHBondContact NZ-OE1 3.2Å; K73-E235 IonicContact NZ-OE2 2.92Å; M231-E235 HydrophobicContact CB-CB 4.26Å; M231-E235 HydrophobicContact CE-CB 4.06Å; T232-E235 HydrophobicContact CG2-CG 4.4Å; T232-E235 PolarHBondContact N-OE2 2.59Å; T232-E235 VanDerWaalsContact N-OE2 3.1Å; T232-E235 PolarHBondContact O-N 2.83Å; T232-E235 WeakPolarHBondContact OG1-CB 3.48Å; T232-E235 WeakPolarHBondContact OG1-CG 3.05Å; T232-E235 PolarHBondContact OG1-N 3.23Å; E235-L239 WeakPolarHBondContact O-CB 3.14Å; E235-L239 PolarHBondContact O-N 2.83Å
236	A	89.4	Confident	90.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-45.2	177.7	0	0	0	0	0	111.9	F68 Y70 I82 M231 T232 E234 E238 L239 A240	F68-A236 HydrophobicContact CE2-CB 4.13Å; F68-A236 HydrophobicContact CZ-CB 4.39Å; F68-A236 WeakPolarHBondContact CZ-O 3.47Å; Y70-A236 HydrophobicContact CD1-CB 3.92Å; Y70-A236 HydrophobicContact CD2-CB 3.8Å; Y70-A236 HydrophobicContact CE1-CB 3.86Å; Y70-A236 HydrophobicContact CE2-CB 3.68Å; Y70-A236 HydrophobicContact CG-CB 3.9Å; I82-A236 HydrophobicContact CD1-CB 3.42Å; I82-A236 VanDerWaalsContact CD1-CB 3.42Å; M231-A236 HydrophobicContact CB-CB 4.4Å; T232-A236 WeakPolarHBondContact O-CB 3.09Å; T232-A236 PolarHBondContact O-N 3.24Å; E234-A236 PolarHBondContact O-N 3.01Å; A236-E238 PolarHBondContact O-N 3.12Å; A236-L239 PolarHBondContact O-N 3.24Å; A236-A240 PolarHBondContact O-N 3.13Å
237	K	87.7	Confident	90.6	Very high	29 Å²	29	46.9 Å²	46.9	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-44.2	176.8	-69.9	162.8	-157.4	168.1	0	111.6	I82 D233 E234 A240 Q241 Y262	I82-K237 HydrophobicContact CD1-CG 4.13Å; D233-K237 WeakPolarHBondContact O-CD 3.43Å; D233-K237 WeakPolarHBondContact O-CE 3.28Å; D233-K237 VanDerWaalsContact O-CG 3.22Å; D233-K237 WeakPolarHBondContact O-CG 3.18Å; D233-K237 PolarHBondContact O-N 3.29Å; D233-K237 VanDerWaalsContact O-N 3.16Å; E234-K237 PolarHBondContact O-N 3.4Å; E234-K237 IonicContact OE1-NZ 3.9Å; K237-A240 PolarHBondContact O-N 3.06Å; K237-Q241 WeakPolarHBondContact O-CB 3.3Å; K237-Q241 PolarHBondContact O-N 2.68Å; K237-Y262 HydrophobicContact CD-CD1 3.98Å; K237-Y262 HydrophobicContact CD-CE1 3.81Å; K237-Y262 HydrophobicContact CD-CG 4.42Å; K237-Y262 VanDerWaalsContact CE-CE1 3.45Å; K237-Y262 VanDerWaalsContact CE-CE2 3.41Å; K237-Y262 HydrophobicContact CG-CD1 4.01Å; K237-Y262 HydrophobicContact CG-CE1 4.35Å; K237-Y262 HydrophobicContact CG-CG 4.32Å
238	E	89.4	Confident	90.3	Very high	128 Å²	128	45.1 Å²	45.1	60%	0.598	22%	0.216	S	C	*	.	H	α-helix	trans	-63.6	-42.2	178	-171.9	179.5	170.5	0	0	111.5	E234 A236 A240 Q241 K242	E234-E238 WeakPolarHBondContact O-CB 3.48Å; E234-E238 PolarHBondContact O-N 3.1Å; A236-E238 PolarHBondContact O-N 3.12Å; E238-A240 PolarHBondContact O-N 3.16Å; E238-Q241 PolarHBondContact O-N 2.59Å; E238-K242 VanDerWaalsContact O-CB 3.29Å; E238-K242 WeakPolarHBondContact O-CB 3.18Å; E238-K242 PolarHBondContact O-N 2.98Å
239	L	92.2	Very high	90.1	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-48.4	175.5	176.4	59.6	0	0	0	111.7	F68 I222 M223 Y227 M231 E235 A236 Q241 K242 A243	F68-L239 HydrophobicContact CZ-CD2 4.34Å; F68-L239 HydrophobicContact CZ-CG 4.5Å; I222-L239 HydrophobicContact CG2-CD1 4.04Å; M223-L239 HydrophobicContact CE-CD2 3.97Å; M223-L239 HydrophobicContact CE-CG 4.39Å; M223-L239 HydrophobicContact SD-CD1 4.07Å; M223-L239 HydrophobicContact SD-CD2 4.02Å; M223-L239 HydrophobicContact SD-CG 3.83Å; Y227-L239 HydrophobicContact CD2-CD2 4.25Å; M231-L239 HydrophobicContact CE-CB 4.18Å; M231-L239 HydrophobicContact CE-CD2 3.69Å; M231-L239 HydrophobicContact SD-CD2 3.86Å; E235-L239 WeakPolarHBondContact O-CB 3.14Å; E235-L239 PolarHBondContact O-N 2.83Å; A236-L239 PolarHBondContact O-N 3.24Å; L239-Q241 VanDerWaalsContact C-N 3.32Å; L239-Q241 PolarHBondContact O-N 3.08Å; L239-K242 PolarHBondContact O-N 3.19Å; L239-A243 WeakPolarHBondContact O-CB 3.5Å; L239-A243 PolarHBondContact O-N 3.28Å
240	A	90.8	Very high	90.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-44.5	179.1	0	0	0	0	0	111.7	F68 I82 A84 A236 K237 E238 I244 F276	F68-A240 HydrophobicContact CE1-CB 3.68Å; F68-A240 HydrophobicContact CZ-CB 4.03Å; I82-A240 HydrophobicContact CG2-CB 3.52Å; A84-A240 HydrophobicContact CB-CB 4.05Å; A236-A240 PolarHBondContact O-N 3.13Å; K237-A240 PolarHBondContact O-N 3.06Å; E238-A240 PolarHBondContact O-N 3.16Å; A240-I244 PolarHBondContact O-N 2.73Å; A240-F276 HydrophobicContact CB-CZ 4.38Å
241	Q	88.4	Confident	90	Very high	49 Å²	49	48 Å²	48	23%	0.229	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-51.6	176	-176	-168.6	-8.7	0	0	111	K237 E238 L239 A243 I244 M245 F276 L278	K237-Q241 WeakPolarHBondContact O-CB 3.3Å; K237-Q241 PolarHBondContact O-N 2.68Å; E238-Q241 PolarHBondContact O-N 2.59Å; L239-Q241 VanDerWaalsContact C-N 3.32Å; L239-Q241 PolarHBondContact O-N 3.08Å; Q241-A243 VanDerWaalsContact C-N 3.31Å; Q241-A243 PolarHBondContact O-N 3.48Å; Q241-I244 PolarHBondContact O-N 2.89Å; Q241-M245 HydrophobicContact CG-CG 4.17Å; Q241-M245 HydrophobicContact CG-SD 3.75Å; Q241-M245 PolarHBondContact NE2-SD 3.22Å; Q241-M245 VanDerWaalsContact NE2-SD 3.35Å; Q241-M245 WeakPolarHBondContact O-CB 3.49Å; Q241-M245 VanDerWaalsContact O-CG 3.28Å; Q241-M245 WeakPolarHBondContact O-CG 3.43Å; Q241-M245 PolarHBondContact O-N 2.86Å; Q241-F276 HydrophobicContact CB-CE2 3.91Å; Q241-F276 HydrophobicContact CB-CZ 4.48Å; Q241-F276 HydrophobicContact CG-CE2 4.31Å; Q241-L278 HydrophobicContact CG-CD1 4.21Å; Q241-L278 VanDerWaalsContact OE1-CD1 3.27Å
242	K	90.6	Very high	89.9	Confident	88 Å²	88	55.1 Å²	55.1	38%	0.383	25%	0.25	S	C	.	.	H	α-helix	trans	-60	-41	-177.9	-171.2	176.2	-177.8	179.7	0	111.7	I222 E238 L239 M245 H246	I222-K242 HydrophobicContact CG2-CB 4.49Å; I222-K242 HydrophobicContact CG2-CD 4.48Å; I222-K242 HydrophobicContact CG2-CG 4.22Å; E238-K242 VanDerWaalsContact O-CB 3.29Å; E238-K242 WeakPolarHBondContact O-CB 3.18Å; E238-K242 PolarHBondContact O-N 2.98Å; L239-K242 PolarHBondContact O-N 3.19Å; K242-M245 PolarHBondContact O-N 3.28Å; K242-H246 WeakPolarHBondContact O-CB 3.19Å; K242-H246 PolarHBondContact O-N 2.95Å
243	A	92.6	Very high	89.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-47.4	178.4	0	0	0	0	0	112.3	L66 A219 I222 M223 L239 Q241 A247	L66-A243 HydrophobicContact CD2-CB 3.66Å; A219-A243 HydrophobicContact CB-CB 4.45Å; I222-A243 HydrophobicContact CB-CB 4.07Å; I222-A243 HydrophobicContact CG2-CB 3.99Å; M223-A243 HydrophobicContact CG-CB 4.3Å; M223-A243 HydrophobicContact SD-CB 4.03Å; L239-A243 WeakPolarHBondContact O-CB 3.5Å; L239-A243 PolarHBondContact O-N 3.28Å; Q241-A243 VanDerWaalsContact C-N 3.31Å; Q241-A243 PolarHBondContact O-N 3.48Å; A243-A247 PolarHBondContact O-N 3.21Å; A243-A247 VanDerWaalsContact O-N 3.16Å
244	I	91.4	Very high	89.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.9	-42.3	176.8	-60.9	-60.1	0	0	0	111.1	T64 L66 A84 D86 A240 Q241 H246 A247 T248 V258	T64-I244 HydrophobicContact CG2-CD1 3.56Å; L66-I244 HydrophobicContact CB-CD1 3.7Å; L66-I244 HydrophobicContact CB-CG1 4.41Å; A84-I244 HydrophobicContact CB-CD1 4.43Å; A84-I244 HydrophobicContact CB-CG1 3.65Å; D86-I244 HydrophobicContact CB-CG2 4.23Å; A240-I244 PolarHBondContact O-N 2.73Å; Q241-I244 PolarHBondContact O-N 2.89Å; I244-H246 VanDerWaalsContact C-N 3.3Å; I244-H246 PolarHBondContact O-N 3.17Å; I244-A247 CarbonylContact O-C 3.24Å; I244-A247 WeakPolarHBondContact O-CA 3.25Å; I244-A247 WeakPolarHBondContact O-CB 3.47Å; I244-A247 PolarHBondContact O-N 3.28Å; I244-A247 VanDerWaalsContact O-N 3.09Å; I244-T248 HydrophobicContact CG2-CG2 4.1Å; I244-T248 WeakPolarHBondContact O-CG2 3.33Å; I244-T248 PolarHBondContact O-N 3.02Å; I244-T248 PolarHBondContact O-OG1 3.01Å; I244-V258 HydrophobicContact CB-CG1 3.88Å; I244-V258 HydrophobicContact CB-CG2 4.28Å; I244-V258 HydrophobicContact CG1-CG1 4.42Å; I244-V258 HydrophobicContact CG2-CB 4.31Å; I244-V258 HydrophobicContact CG2-CG1 3.85Å; I244-V258 HydrophobicContact CG2-CG2 3.75Å
245	M	89.4	Confident	89.8	Confident	44 Å²	44	49 Å²	49	22%	0.217	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-40	177.6	-74.7	-174.5	75.3	0	0	112.4	Q241 K242 A247 T248 Y249 V258 F280	Q241-M245 HydrophobicContact CG-CG 4.17Å; Q241-M245 HydrophobicContact CG-SD 3.75Å; Q241-M245 PolarHBondContact NE2-SD 3.22Å; Q241-M245 VanDerWaalsContact NE2-SD 3.35Å; Q241-M245 WeakPolarHBondContact O-CB 3.49Å; Q241-M245 VanDerWaalsContact O-CG 3.28Å; Q241-M245 WeakPolarHBondContact O-CG 3.43Å; Q241-M245 PolarHBondContact O-N 2.86Å; K242-M245 PolarHBondContact O-N 3.28Å; M245-A247 VanDerWaalsContact C-N 3.31Å; M245-A247 PolarHBondContact O-N 3.18Å; M245-T248 WeakPolarHBondContact CA-OG1 3.18Å; M245-T248 PolarHBondContact O-N 3.17Å; M245-T248 PolarHBondContact O-OG1 2.64Å; M245-Y249 PolarHBondContact O-N 3.46Å; M245-Y249 VanDerWaalsContact O-N 3.08Å; M245-V258 HydrophobicContact CG-CG2 3.81Å; M245-F280 HydrophobicContact CE-CD1 3.51Å; M245-F280 HydrophobicContact CE-CE1 3.86Å; M245-F280 HydrophobicContact CE-CG 4.12Å
246	H	91	Very high	89.5	Confident	72 Å²	72	47.3 Å²	47.3	33%	0.333	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-38.7	175.9	-168.2	-98.1	0	0	0	111.4	N218 I222 K242 I244 Y249 R250	N218-H246 PolarHBondContact O-ND1 2.98Å; I222-H246 HydrophobicContact CD1-CB 4.06Å; I222-H246 HydrophobicContact CG1-CB 3.66Å; K242-H246 WeakPolarHBondContact O-CB 3.19Å; K242-H246 PolarHBondContact O-N 2.95Å; I244-H246 VanDerWaalsContact C-N 3.3Å; I244-H246 PolarHBondContact O-N 3.17Å; H246-Y249 PolarHBondContact O-N 3.13Å; H246-R250 PolarHBondContact O-N 2.83Å
247	A	91.9	Very high	89.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-43.2	174.2	0	0	0	0	0	112.7	T64 G215 N218 A219 A243 I244 M245 Y249 R250 D251	T64-A247 HydrophobicContact CG2-CB 3.7Å; G215-A247 WeakPolarHBondContact O-CB 3.44Å; N218-A247 HydrophobicContact CB-CB 3.99Å; A219-A247 HydrophobicContact CB-CB 4.33Å; A243-A247 PolarHBondContact O-N 3.21Å; A243-A247 VanDerWaalsContact O-N 3.16Å; I244-A247 CarbonylContact O-C 3.24Å; I244-A247 WeakPolarHBondContact O-CA 3.25Å; I244-A247 WeakPolarHBondContact O-CB 3.47Å; I244-A247 PolarHBondContact O-N 3.28Å; I244-A247 VanDerWaalsContact O-N 3.09Å; M245-A247 VanDerWaalsContact C-N 3.31Å; M245-A247 PolarHBondContact O-N 3.18Å; A247-Y249 VanDerWaalsContact C-N 3.26Å; A247-Y249 PolarHBondContact O-N 3.04Å; A247-R250 PolarHBondContact O-N 2.91Å; A247-D251 VanDerWaalsContact O-CB 3.3Å; A247-D251 WeakPolarHBondContact O-CB 3.41Å; A247-D251 PolarHBondContact O-N 3.36Å
248	T	89.6	Confident	89	Confident	14 Å²	14	49.2 Å²	49.2	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-27.7	177.9	59.7	0	0	0	0	113.2	D86 I244 M245	D86-T248 HydrophobicContact CB-CG2 3.95Å; I244-T248 HydrophobicContact CG2-CG2 4.1Å; I244-T248 WeakPolarHBondContact O-CG2 3.33Å; I244-T248 PolarHBondContact O-N 3.02Å; I244-T248 PolarHBondContact O-OG1 3.01Å; M245-T248 WeakPolarHBondContact CA-OG1 3.18Å; M245-T248 PolarHBondContact O-N 3.17Å; M245-T248 PolarHBondContact O-OG1 2.64Å
249	Y	88.7	Confident	88.6	Confident	177 Å²	177	43.8 Å²	43.8	69%	0.694	21%	0.209	S	C	*	.	H	α-helix	trans	-75.4	-33.9	176.7	-169.9	-99.3	0	0	0	112.9	M245 H246 A247	M245-Y249 PolarHBondContact O-N 3.46Å; M245-Y249 VanDerWaalsContact O-N 3.08Å; H246-Y249 PolarHBondContact O-N 3.13Å; A247-Y249 VanDerWaalsContact C-N 3.26Å; A247-Y249 PolarHBondContact O-N 3.04Å
250	R	91.1	Very high	87.8	Confident	166 Å²	166	43.4 Å²	43.4	63%	0.626	21%	0.207	S	C	*	.	H	α-helix	trans	-100.3	-33.1	-173	-68.3	-64.3	-168.2	154.1	1.2	114.3	H246 A247	H246-R250 PolarHBondContact O-N 2.83Å; A247-R250 PolarHBondContact O-N 2.91Å
251	D	91	Very high	86.9	Confident	23 Å²	23	43.6 Å²	43.6	12%	0.123	21%	0.208	C	C	.	.			trans	-93.3	119.6	-179	174.9	37.7	0	0	0	111.1	S214 G215 A247 G253 S254	S214-D251 WeakPolarHBondContact CB-OD2 3.37Å; S214-D251 PolarHBondContact OG-OD2 2.98Å; G215-D251 WeakPolarHBondContact CA-OD2 3.2Å; G215-D251 PolarHBondContact N-OD2 3.18Å; A247-D251 VanDerWaalsContact O-CB 3.3Å; A247-D251 WeakPolarHBondContact O-CB 3.41Å; A247-D251 PolarHBondContact O-N 3.36Å; D251-G253 PolarHBondContact O-N 2.99Å; D251-G253 VanDerWaalsContact O-N 3.16Å; D251-G253 PolarHBondContact OD1-N 3.05Å; D251-S254 PolarHBondContact O-N 2.81Å; D251-S254 VanDerWaalsContact O-N 3.12Å; D251-S254 WeakPolarHBondContact OD2-CB 3.06Å; D251-S254 PolarHBondContact OD2-N 3.33Å; D251-S254 VanDerWaalsContact OD2-N 3.1Å; D251-S254 PolarHBondContact OD2-OG 2.96Å
252	I	88.2	Confident	86.1	Confident	157 Å²	157	42.3 Å²	42.3	81%	0.805	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.9	177.9	60.1	172.9	0	0	0	112.4	R88	R88-I252 PolarHBondContact NH1-O 2.66Å; R88-I252 VanDerWaalsContact NH1-O 3.1Å
253	G	86	Confident	84.8	Confident	8 Å²	8	39.1 Å²	39.1	8%	0.082	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-26.5	-179.4	0	0	0	0	0	114	G62 R88 D251	G62-G253 CarbonylContact C-O 3.52Å; G62-G253 VanDerWaalsContact CA-C 3.46Å; G62-G253 WeakPolarHBondContact CA-O 3.34Å; R88-G253 WeakPolarHBondContact CD-O 3.24Å; D251-G253 PolarHBondContact O-N 2.99Å; D251-G253 VanDerWaalsContact O-N 3.16Å; D251-G253 PolarHBondContact OD1-N 3.05Å
254	S	88.4	Confident	83.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.			trans	-102.2	143.3	-173.2	-59.6	0	0	0	0	111.3	T64 D86 R88 D251	T64-S254 PolarHBondContact N-OG 3.1Å; T64-S254 WeakPolarHBondContact OG1-CB 3.21Å; T64-S254 PolarHBondContact OG1-OG 2.97Å; D86-S254 WeakPolarHBondContact OD2-CA 3.36Å; R88-S254 PolarHBondContact NH1-O 2.71Å; D251-S254 PolarHBondContact O-N 2.81Å; D251-S254 VanDerWaalsContact O-N 3.12Å; D251-S254 WeakPolarHBondContact OD2-CB 3.06Å; D251-S254 PolarHBondContact OD2-N 3.33Å; D251-S254 VanDerWaalsContact OD2-N 3.1Å; D251-S254 PolarHBondContact OD2-OG 2.96Å
255	G	87.3	Confident	81.5	Confident	2 Å²	2	46.2 Å²	46.2	2%	0.021	22%	0.216	C	C	.	.			trans	170.5	-163.3	177.7	0	0	0	0	0	115.4	D86 S87 R88	D86-G255 PolarHBondContact OD2-N 3.05Å; S87-G255 PolarHBondContact N-O 2.8Å; R88-G255 WeakPolarHBondContact CB-O 3.38Å; R88-G255 PolarHBondContact N-O 2.8Å
256	G	84.2	Confident	79.9	Confident	28 Å²	28	47.2 Å²	47.2	29%	0.289	22%	0.222	S	C	.	.	S	Bend	trans	79.1	-140	-175.7	0	0	0	0	0	111.3
257	L	83.5	Confident	77.8	Confident	63 Å²	63	50.4 Å²	50.4	33%	0.33	24%	0.242	S	C	.	.			trans	-86.7	138.9	179.9	-59.2	171	0	0	0	109.6	S87 T259	S87-L257 PolarHBondContact N-O 2.81Å; S87-L257 PolarHBondContact OG-N 2.85Å; S87-L257 PolarHBondContact OG-O 3.03Å; L257-T259 PolarHBondContact O-N 2.77Å
258	V	83.6	Confident	75.4	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.8	166.6	-178	0	0	0	0	107.2	I244 M245 F276 S277	I244-V258 HydrophobicContact CB-CG1 3.88Å; I244-V258 HydrophobicContact CB-CG2 4.28Å; I244-V258 HydrophobicContact CG1-CG1 4.42Å; I244-V258 HydrophobicContact CG2-CB 4.31Å; I244-V258 HydrophobicContact CG2-CG1 3.85Å; I244-V258 HydrophobicContact CG2-CG2 3.75Å; M245-V258 HydrophobicContact CG-CG2 3.81Å; V258-F276 HydrophobicContact CG1-CE2 3.97Å; V258-S277 WeakPolarHBondContact O-CA 3.21Å
259	T	80.8	Confident	73.3	Confident	13 Å²	13	60 Å²	60	8%	0.08	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.6	173.4	-59.2	0	0	0	0	107.4	A84 V85 I103 L257 I275 F276	A84-T259 WeakPolarHBondContact CA-O 3.41Å; V85-T259 PolarHBondContact N-O 2.85Å; V85-T259 PolarHBondContact O-N 3.28Å; I103-T259 HydrophobicContact CD1-CG2 4.33Å; L257-T259 PolarHBondContact O-N 2.77Å; T259-I275 HydrophobicContact CG2-CG2 3.82Å; T259-F276 WeakPolarHBondContact CA-O 3.17Å
260	G	75.7	Confident	70.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144	169.2	0	0	0	0	0	112.1	V83 I275 F276	V83-G260 CarbonylContact O-C 3.57Å; V83-G260 VanDerWaalsContact O-CA 3.25Å; V83-G260 WeakPolarHBondContact O-CA 3.23Å; G260-I275 WeakPolarHBondContact O-CA 3.41Å; G260-F276 PolarHBondContact N-O 3.12Å; G260-F276 PolarHBondContact O-N 3.25Å
261	M	72.6	Confident	68.6	Low	5 Å²	5	50.1 Å²	50.1	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.2	167.3	-65.7	-173.6	177	0	0	107.2	V83 I103 I273 I275	V83-M261 PolarHBondContact N-O 2.6Å; V83-M261 PolarHBondContact O-N 3.05Å; V83-M261 VanDerWaalsContact O-O 3.08Å; I103-M261 HydrophobicContact CB-CE 4.07Å; I103-M261 HydrophobicContact CB-SD 4.17Å; I103-M261 HydrophobicContact CD1-CB 4.24Å; I103-M261 HydrophobicContact CD1-CE 4.22Å; I103-M261 HydrophobicContact CD1-CG 3.65Å; I103-M261 HydrophobicContact CD1-SD 3.89Å; I103-M261 HydrophobicContact CG2-CE 3.88Å; I103-M261 HydrophobicContact CG2-SD 3.48Å; I103-M261 WeakPolarHBondContact CG2-SD 3.17Å; M261-I273 HydrophobicContact CB-CG2 4.22Å; M261-I273 HydrophobicContact CE-CG2 3.63Å; M261-I273 HydrophobicContact CG-CG2 3.56Å; M261-I273 HydrophobicContact SD-CG2 3.44Å; M261-I273 WeakPolarHBondContact SD-CG2 2.76Å; M261-I275 HydrophobicContact CE-CD1 4.41Å; M261-I275 HydrophobicContact CE-CG1 4.32Å
262	Y	70.6	Confident	66.3	Low	21 Å²	21	50.2 Å²	50.2	8%	0.082	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	155	165.6	67.7	-88.5	0	0	0	108.1	K237 Q264 A274	K237-Y262 HydrophobicContact CD-CD1 3.98Å; K237-Y262 HydrophobicContact CD-CE1 3.81Å; K237-Y262 HydrophobicContact CD-CG 4.42Å; K237-Y262 VanDerWaalsContact CE-CE1 3.45Å; K237-Y262 VanDerWaalsContact CE-CE2 3.41Å; K237-Y262 HydrophobicContact CG-CD1 4.01Å; K237-Y262 HydrophobicContact CG-CE1 4.35Å; K237-Y262 HydrophobicContact CG-CG 4.32Å; Y262-Q264 HydrophobicContact CD2-CB 4.46Å; Y262-Q264 HydrophobicContact CE2-CB 4.31Å; Y262-A274 HydrophobicContact CD1-CB 3.96Å; Y262-A274 HydrophobicContact CE1-CB 3.17Å; Y262-A274 HydrophobicContact CE2-CB 4.34Å; Y262-A274 WeakPolarHBondContact OH-CB 3.26Å
263	R	63.8	Low	64.4	Low	22 Å²	22	45.1 Å²	45.1	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121	165.8	176.7	176	-173.3	162.1	6.1	109	V81 W171 F271	V81-R263 PolarHBondContact O-N 3.18Å; W171-R263 HydrophobicContact CH2-CB 3.5Å; W171-R263 HydrophobicContact CH2-CG 4.48Å; W171-R263 HydrophobicContact CZ2-CB 3.99Å; R263-F271 VanDerWaalsContact CZ-CE1 3.46Å; R263-F271 VanDerWaalsContact NH1-CE1 3.35Å
264	Q	59.9	Low	62.5	Low	66 Å²	66	44.7 Å²	44.7	31%	0.308	23%	0.233	S	C	.	.			trans	-88.9	145.8	165.4	-158.4	169.9	10.3	0	0	107.7	K78 D233 Y262 D266	K78-Q264 HydrophobicContact CD-CG 4.49Å; D233-Q264 WeakPolarHBondContact OD2-CG 3.41Å; D233-Q264 PolarHBondContact OD2-NE2 2.89Å; Y262-Q264 HydrophobicContact CD2-CB 4.46Å; Y262-Q264 HydrophobicContact CE2-CB 4.31Å; Q264-D266 PolarHBondContact O-N 2.67Å
265	W	54.7	Low	60.8	Low	83 Å²	83	46.1 Å²	46.1	31%	0.314	24%	0.24	S	C	.	.			trans	-62.2	129.3	163	-73.8	80.5	0	0	0	107.8	K78 F173 Y175 M193	K78-W265 HydrophobicContact CB-CB 3.68Å; K78-W265 HydrophobicContact CB-CG 4.07Å; K78-W265 HydrophobicContact CD-CB 3.47Å; K78-W265 VanDerWaalsContact CD-CB 3.47Å; K78-W265 WeakPolarHBondContact CD-O 3.42Å; K78-W265 VanDerWaalsContact CE-O 3.31Å; K78-W265 WeakPolarHBondContact CE-O 3.36Å; K78-W265 HydrophobicContact CG-CB 4.18Å; K78-W265 PolarHBondContact NZ-O 2.95Å; F173-W265 HydrophobicContact CE2-CZ2 4.43Å; F173-W265 AromaticContact CE2-NE1 3.82Å; F173-W265 AromaticContact CZ-CD2 3.88Å; F173-W265 HydrophobicContact CZ-CD2 3.88Å; F173-W265 AromaticContact CZ-CE2 3.49Å; F173-W265 VanDerWaalsContact CZ-CE2 3.49Å; F173-W265 HydrophobicContact CZ-CE3 4.5Å; F173-W265 HydrophobicContact CZ-CG 4.26Å; F173-W265 HydrophobicContact CZ-CH2 4.43Å; F173-W265 AromaticContact CZ-CZ2 3.78Å; F173-W265 HydrophobicContact CZ-CZ2 3.78Å; F173-W265 AromaticContact CZ-NE1 3.66Å; Y175-W265 AromaticContact CD1-CH2 3.54Å; Y175-W265 HydrophobicContact CD1-CH2 3.54Å; Y175-W265 AromaticContact CD1-CZ3 3.36Å; Y175-W265 HydrophobicContact CD1-CZ3 3.36Å; Y175-W265 AromaticContact CD2-CH2 3.55Å; Y175-W265 HydrophobicContact CD2-CH2 3.55Å; Y175-W265 HydrophobicContact CD2-CZ3 4.26Å; Y175-W265 HydrophobicContact CE1-CH2 4.02Å; Y175-W265 AromaticContact CE1-CZ3 3.8Å; Y175-W265 HydrophobicContact CE1-CZ3 3.8Å; Y175-W265 HydrophobicContact CE2-CH2 4.08Å; Y175-W265 AromaticContact CG-CH2 3.25Å; Y175-W265 HydrophobicContact CG-CH2 3.25Å; Y175-W265 HydrophobicContact CG-CZ2 4.34Å; Y175-W265 AromaticContact CG-CZ3 3.6Å; Y175-W265 HydrophobicContact CG-CZ3 3.6Å; M193-W265 VanDerWaalsContact CE-NE1 3.29Å
266	D	54.4	Low	59.3	Low	64 Å²	64	46.5 Å²	46.5	34%	0.342	24%	0.241	S	C	.	.			trans	-117.6	145.3	161.1	-144.5	-13.7	0	0	0	108.1	K78 Q264 D268 L269	K78-D266 IonicContact NZ-OD1 3.56Å; Q264-D266 PolarHBondContact O-N 2.67Å; D266-D268 PolarHBondContact O-N 2.72Å; D266-D268 VanDerWaalsContact O-N 3.1Å; D266-L269 PolarHBondContact O-N 2.77Å; D266-L269 VanDerWaalsContact O-N 3.1Å
267	D	46.7	Very low	57.8	Low	139 Å²	139	46.2 Å²	46.2	74%	0.743	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-19.9	-171.4	-62.2	-10.5	0	0	0	110.7	K78	K78-D267 IonicContact NZ-OD1 3.74Å; K78-D267 PolarHBondContact NZ-OD1 2.95Å
268	D	42.3	Very low	56.1	Low	124 Å²	124	44.2 Å²	44.2	66%	0.663	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	12.3	179.2	-67.7	-35.5	0	0	0	114.8	D266 D270	D266-D268 PolarHBondContact O-N 2.72Å; D266-D268 VanDerWaalsContact O-N 3.1Å; D268-D270 PolarHBondContact O-N 3.32Å
269	L	45.1	Very low	54.5	Low	92 Å²	92	47.3 Å²	47.3	48%	0.482	25%	0.245	S	C	.	.			trans	57.8	8.5	-176.2	-66.8	163.2	0	0	0	114.5	D266 F271	D266-L269 PolarHBondContact O-N 2.77Å; D266-L269 VanDerWaalsContact O-N 3.1Å; L269-F271 WeakPolarHBondContact O-CD2 3.26Å; L269-F271 WeakPolarHBondContact O-CE2 3.14Å
270	D	37.6	Very low	52.9	Low	85 Å²	85	52.5 Å²	52.5	46%	0.455	27%	0.266	S	S	.	.			trans	-73.5	128.5	-179	-88.6	-20.9	0	0	0	111	D268 V272	D268-D270 PolarHBondContact O-N 3.32Å; D270-V272 PolarHBondContact O-N 2.74Å
271	F	44.5	Very low	50.9	Low	51 Å²	51	60.3 Å²	60.3	22%	0.224	31%	0.308	C	S	.	.			trans	-84	109.1	-173.9	-54.5	-101.6	0	0	0	109.1	D108 C109 R263 L269 I273	D108-F271 HydrophobicContact CB-CE1 4.38Å; D108-F271 HydrophobicContact CB-CZ 4.17Å; D108-F271 WeakPolarHBondContact O-CD1 3.3Å; D108-F271 WeakPolarHBondContact O-CE1 3.3Å; C109-F271 HydrophobicContact CB-CE1 4.06Å; R263-F271 VanDerWaalsContact CZ-CE1 3.46Å; R263-F271 VanDerWaalsContact NH1-CE1 3.35Å; L269-F271 WeakPolarHBondContact O-CD2 3.26Å; L269-F271 WeakPolarHBondContact O-CE2 3.14Å; F271-I273 PolarHBondContact O-N 3.23Å
272	V	42.7	Very low	49	Very low	24 Å²	24	62 Å²	62	15%	0.145	32%	0.323	C	S	.	.			trans	-97	92.6	170.4	-172.2	0	0	0	0	108.7	D270 A274 V287 R289	D270-V272 PolarHBondContact O-N 2.74Å; V272-A274 VanDerWaalsContact C-N 3.27Å; V272-A274 HydrophobicContact CG1-CB 4.1Å; V272-A274 PolarHBondContact O-N 3.25Å; V272-A274 VanDerWaalsContact O-N 3.09Å; V272-V287 HydrophobicContact CG1-CG1 3.95Å; V272-R289 HydrophobicContact CG1-CG 4.49Å
273	I	47.2	Very low	47	Very low	50 Å²	50	71.2 Å²	71.2	26%	0.256	36%	0.363	S	S	.	.			trans	-76.2	89	160.6	-59.8	178.6	0	0	0	106.6	E105 M261 F271 I275	E105-I273 HydrophobicContact CG-CD1 4.37Å; E105-I273 WeakPolarHBondContact OE1-CD1 3.04Å; M261-I273 HydrophobicContact CB-CG2 4.22Å; M261-I273 HydrophobicContact CE-CG2 3.63Å; M261-I273 HydrophobicContact CG-CG2 3.56Å; M261-I273 HydrophobicContact SD-CG2 3.44Å; M261-I273 WeakPolarHBondContact SD-CG2 2.76Å; F271-I273 PolarHBondContact O-N 3.23Å; I273-I275 HydrophobicContact CG2-CG1 4.21Å; I273-I275 PolarHBondContact O-N 3.49Å
274	A	46.6	Very low	45.5	Very low	0 Å²	0	78.2 Å²	78.2	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	111.5	171.1	0	0	0	0	0	108.5	Y262 V272 F276 V287	Y262-A274 HydrophobicContact CD1-CB 3.96Å; Y262-A274 HydrophobicContact CE1-CB 3.17Å; Y262-A274 HydrophobicContact CE2-CB 4.34Å; Y262-A274 WeakPolarHBondContact OH-CB 3.26Å; V272-A274 VanDerWaalsContact C-N 3.27Å; V272-A274 HydrophobicContact CG1-CB 4.1Å; V272-A274 PolarHBondContact O-N 3.25Å; V272-A274 VanDerWaalsContact O-N 3.09Å; A274-F276 PolarHBondContact O-N 3.31Å; A274-V287 HydrophobicContact CB-CG1 4.31Å; A274-V287 HydrophobicContact CB-CG2 4.24Å
275	I	52.6	Low	44.4	Very low	30 Å²	30	79.9 Å²	79.9	15%	0.154	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	105.2	171.7	-64.3	170.1	0	0	0	107.5	T259 G260 M261 I273 Y286	T259-I275 HydrophobicContact CG2-CG2 3.82Å; G260-I275 WeakPolarHBondContact O-CA 3.41Å; M261-I275 HydrophobicContact CE-CD1 4.41Å; M261-I275 HydrophobicContact CE-CG1 4.32Å; I273-I275 HydrophobicContact CG2-CG1 4.21Å; I273-I275 PolarHBondContact O-N 3.49Å; I275-Y286 CarbonylContact C-O 3.06Å; I275-Y286 PolarHBondContact N-O 2.82Å; I275-Y286 CarbonylContact O-C 3.55Å; I275-Y286 VanDerWaalsContact O-C 3.24Å; I275-Y286 WeakPolarHBondContact O-CA 3.49Å; I275-Y286 PolarHBondContact O-N 3.04Å
276	F	55.7	Low	43.4	Very low	9 Å²	9	82.8 Å²	82.8	4%	0.039	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.9	160.8	62.5	-91	0	0	0	107.6	A240 Q241 V258 T259 G260 A274 L278	A240-F276 HydrophobicContact CB-CZ 4.38Å; Q241-F276 HydrophobicContact CB-CE2 3.91Å; Q241-F276 HydrophobicContact CB-CZ 4.48Å; Q241-F276 HydrophobicContact CG-CE2 4.31Å; V258-F276 HydrophobicContact CG1-CE2 3.97Å; T259-F276 WeakPolarHBondContact CA-O 3.17Å; G260-F276 PolarHBondContact N-O 3.12Å; G260-F276 PolarHBondContact O-N 3.25Å; A274-F276 PolarHBondContact O-N 3.31Å; F276-L278 HydrophobicContact CD2-CD1 4.35Å
277	S	52.1	Low	42.5	Very low	23 Å²	23	83 Å²	83	16%	0.161	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112.9	168.3	174.7	0	0	0	0	105.6	V258 R284	V258-S277 WeakPolarHBondContact O-CA 3.21Å; S277-R284 VanDerWaalsContact O-O 3.13Å
278	L	49.1	Very low	41.9	Very low	21 Å²	21	84.1 Å²	84.1	11%	0.11	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.2	-178	-57	168.7	0	0	0	106.6	Q241 F276 A282 R284	Q241-L278 HydrophobicContact CG-CD1 4.21Å; Q241-L278 VanDerWaalsContact OE1-CD1 3.27Å; F276-L278 HydrophobicContact CD2-CD1 4.35Å; L278-A282 WeakPolarHBondContact CD2-O 3.14Å; L278-R284 VanDerWaalsContact CD2-N 3.29Å; L278-R284 VanDerWaalsContact CD2-O 3.23Å; L278-R284 WeakPolarHBondContact CD2-O 3.32Å
279	P	49.7	Very low	41.4	Very low	72 Å²	72	87 Å²	87	47%	0.468	41%	0.41	S	S	.	.			trans	-60.3	156.4	151.6	29.6	-30.5	0	0	0	107.3	D281 A282	P279-D281 PolarHBondContact O-N 3.47Å; P279-A282 HydrophobicContact CG-CB 3.78Å; P279-A282 PolarHBondContact O-N 2.95Å
280	F	47.5	Very low	40.8	Very low	121 Å²	121	86.5 Å²	86.5	53%	0.531	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-11.4	-174.6	-88.4	-99.7	0	0	0	115.6	M245	M245-F280 HydrophobicContact CE-CD1 3.51Å; M245-F280 HydrophobicContact CE-CE1 3.86Å; M245-F280 HydrophobicContact CE-CG 4.12Å
281	D	34.2	Very low	40.3	Very low	165 Å²	165	91.8 Å²	91.8	88%	0.882	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	11.3	-174.1	-89.4	-41.7	0	0	0	117.2	P279	P279-D281 PolarHBondContact O-N 3.47Å
282	A	32.2	Very low	39.6	Very low	41 Å²	41	99 Å²	99	34%	0.339	45%	0.45	S	S	.	.			trans	-137.1	118.7	-175.4	0	0	0	0	0	114.7	L278 P279 R284	L278-A282 WeakPolarHBondContact CD2-O 3.14Å; P279-A282 HydrophobicContact CG-CB 3.78Å; P279-A282 PolarHBondContact O-N 2.95Å; A282-R284 PolarHBondContact O-N 2.73Å
283	K	29.4	Very low	38.8	Very low	213 Å²	213	102 Å²	102	93%	0.926	47%	0.472	S	S	*	.			trans	-63.6	61.9	167.8	-68.2	-178.5	177.1	-179.6	0	112.9
284	R	30.9	Very low	37.8	Very low	170 Å²	170	108.7 Å²	108.7	64%	0.642	50%	0.502	S	S	*	.			trans	-111	104.1	169.5	-82.8	-171.9	-177.7	178.3	2.4	110.9	S277 L278 A282 Y286	S277-R284 VanDerWaalsContact O-O 3.13Å; L278-R284 VanDerWaalsContact CD2-N 3.29Å; L278-R284 VanDerWaalsContact CD2-O 3.23Å; L278-R284 WeakPolarHBondContact CD2-O 3.32Å; A282-R284 PolarHBondContact O-N 2.73Å; R284-Y286 HydrophobicContact CB-CE2 4.27Å
285	I	36.8	Very low	36.8	Very low	100 Å²	100	120 Å²	120	51%	0.513	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	114.4	169.6	-57.1	173.3	0	0	0	107.3	V287	I285-V287 HydrophobicContact CG2-CG2 3.6Å; I285-V287 PolarHBondContact O-N 3.29Å
286	Y	33.7	Very low	35.5	Very low	144 Å²	144	124 Å²	124	57%	0.565	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.4	85	171.1	-80.9	-88	0	0	0	109.2	I275 R284 R288	I275-Y286 CarbonylContact C-O 3.06Å; I275-Y286 PolarHBondContact N-O 2.82Å; I275-Y286 CarbonylContact O-C 3.55Å; I275-Y286 VanDerWaalsContact O-C 3.24Å; I275-Y286 WeakPolarHBondContact O-CA 3.49Å; I275-Y286 PolarHBondContact O-N 3.04Å; R284-Y286 HydrophobicContact CB-CE2 4.27Å; Y286-R288 PolarHBondContact O-N 2.85Å
287	V	35.7	Very low	34	Very low	70 Å²	70	129.8 Å²	129.8	42%	0.424	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.1	96.8	173	-173	0	0	0	0	108.9	V272 A274 I285 R289	V272-V287 HydrophobicContact CG1-CG1 3.95Å; A274-V287 HydrophobicContact CB-CG1 4.31Å; A274-V287 HydrophobicContact CB-CG2 4.24Å; I285-V287 HydrophobicContact CG2-CG2 3.6Å; I285-V287 PolarHBondContact O-N 3.29Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 HydrophobicContact CG1-CG 3.92Å; V287-R289 PolarHBondContact O-N 2.8Å; V287-R289 VanDerWaalsContact O-N 3.13Å
288	R	35.1	Very low	32.8	Very low	162 Å²	162	135.9 Å²	135.9	61%	0.611	64%	0.637	S	S	*	*			trans	-79.3	87.2	164.5	-169.5	-179.1	-179.8	160	0.5	108.2	Y286 E290	Y286-R288 PolarHBondContact O-N 2.85Å; R288-E290 HydrophobicContact CG-CG 4.04Å; R288-E290 IonicContact CZ-OE1 3.06Å; R288-E290 IonicContact NE-OE1 2.73Å; R288-E290 PolarHBondContact NE-OE1 3.04Å; R288-E290 IonicContact NH2-OE1 2.64Å; R288-E290 PolarHBondContact NH2-OE1 2.85Å; R288-E290 PolarHBondContact O-N 2.92Å; R288-E290 VanDerWaalsContact O-N 3.07Å
289	R	31.6	Very low	31.7	Very low	183 Å²	183	145.3 Å²	145.3	69%	0.691	67%	0.67	S	S	*	*			trans	-72.1	91.6	163.7	-87.4	178.6	176.3	-174.7	-4.4	108.3	V272 V287 K291	V272-R289 HydrophobicContact CG1-CG 4.49Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 HydrophobicContact CG1-CG 3.92Å; V287-R289 PolarHBondContact O-N 2.8Å; V287-R289 VanDerWaalsContact O-N 3.13Å; R289-K291 PolarHBondContact O-N 3.37Å
290	E	32	Very low	30.4	Very low	83 Å²	83	147 Å²	147	39%	0.388	68%	0.684	S	S	.	*			trans	-77.7	108	160.9	-73.2	-155.2	159.7	0	0	108.7	R288 R292	R288-E290 HydrophobicContact CG-CG 4.04Å; R288-E290 IonicContact CZ-OE1 3.06Å; R288-E290 IonicContact NE-OE1 2.73Å; R288-E290 PolarHBondContact NE-OE1 3.04Å; R288-E290 IonicContact NH2-OE1 2.64Å; R288-E290 PolarHBondContact NH2-OE1 2.85Å; R288-E290 PolarHBondContact O-N 2.92Å; R288-E290 VanDerWaalsContact O-N 3.07Å; E290-R292 PolarHBondContact O-N 3.36Å; E290-R292 WeakPolarHBondContact OE2-CD 3.3Å; E290-R292 IonicContact OE2-CZ 3.8Å; E290-R292 IonicContact OE2-NE 3.71Å; E290-R292 IonicContact OE2-NH1 3.67Å
291	K	27.3	Very low	29.5	Very low	195 Å²	195	150.2 Å²	150.2	85%	0.848	70%	0.698	S	S	*	*			trans	-68.2	76.3	161.2	-74.2	-170.9	175.6	-173.7	0	108.7	R289	R289-K291 PolarHBondContact O-N 3.37Å
292	R	29.4	Very low	29.4	Very low	202 Å²	202	155.4 Å²	155.4	76%	0.762	72%	0.717	S	S	*	*			trans	-103.2	53.3	171	-101.5	-174.8	178.6	171.4	1.5	110.5	E290	E290-R292 PolarHBondContact O-N 3.36Å; E290-R292 WeakPolarHBondContact OE2-CD 3.3Å; E290-R292 IonicContact OE2-CZ 3.8Å; E290-R292 IonicContact OE2-NE 3.71Å; E290-R292 IonicContact OE2-NH1 3.67Å
293	C	26.7	Very low	29.3	Very low	89 Å²	89	161.2 Å²	161.2	60%	0.601	74%	0.736	S	S	*	*			trans	-151	71.7	166.1	-145.8	0	0	0	0	110.4
294	Q	25.9	Very low	29.3	Very low	190 Å²	190	158.4 Å²	158.4	89%	0.888	73%	0.726	S	S	*	*			trans	-129	17	164.7	-91.8	-162.5	-13	0	0	112.7
295	R	24.5	Very low	29.2	Very low	236 Å²	236	157.8 Å²	157.8	89%	0.891	73%	0.731	S	S	*	*	S	Bend	trans	-110.1	107.3	176.7	-81.9	-176.7	173.4	175.6	-2.3	111.6
296	T	24.9	Very low	28.8	Very low	115 Å²	115	161.2 Å²	161.2	71%	0.706	74%	0.744	S	S	*	*			trans	86	57.3	152.6	-32	0	0	0	0	116.9	L298	T296-L298 HydrophobicContact CG2-CD1 4.46Å; T296-L298 HydrophobicContact CG2-CG 4.48Å
297	V	26.1	Very low	28.5	Very low	130 Å²	130	162.3 Å²	162.3	79%	0.788	76%	0.755	S	S	*	*			trans	-92.9	89.2	134.8	-179.5	0	0	0	0	105.5	R299	V297-R299 HydrophobicContact CG1-CG 4.4Å; V297-R299 PolarHBondContact O-N 3.24Å
298	L	25.2	Very low	28	Very low	152 Å²	152	168.4 Å²	168.4	80%	0.796	78%	0.777	S	S	*	*			trans	-62.5	99.5	156.4	-88.7	163.9	0	0	0	105	T296 S300	T296-L298 HydrophobicContact CG2-CD1 4.46Å; T296-L298 HydrophobicContact CG2-CG 4.48Å; L298-S300 VanDerWaalsContact C-N 3.34Å; L298-S300 PolarHBondContact O-N 3.31Å
299	R	25.9	Very low	27.5	Very low	218 Å²	218	168.9 Å²	168.9	82%	0.823	79%	0.789	S	S	*	*			trans	-56.6	102.2	164.5	-78.6	-179.4	172.7	-174.7	-3.2	107	V297 F301	V297-R299 HydrophobicContact CG1-CG 4.4Å; V297-R299 PolarHBondContact O-N 3.24Å; R299-F301 VanDerWaalsContact C-N 3.32Å; R299-F301 PolarHBondContact O-N 2.99Å
300	S	23.1	Very low	27.1	Very low	108 Å²	108	167.8 Å²	167.8	76%	0.755	80%	0.796	S	S	*	*			trans	-74.6	91.4	148	48.3	0	0	0	0	106.8	L298	L298-S300 VanDerWaalsContact C-N 3.34Å; L298-S300 PolarHBondContact O-N 3.31Å
301	F	28	Very low	26.7	Very low	188 Å²	188	174.8 Å²	174.8	83%	0.825	83%	0.831	S	S	*	*			trans	-150.5	120.1	161	-88.3	-77.8	0	0	0	106.8	R299	R299-F301 VanDerWaalsContact C-N 3.32Å; R299-F301 PolarHBondContact O-N 2.99Å
302	E	33.6	Very low	26.7	Very low	275 Å²	275	173 Å²	173	100%	1.285	83%	0.829	S	S	*	*			trans	79.8	0	-168.5	-60.8	-176.8	179.5	0	0	117

Retrieved 302 of 302 residues in 534.3 ms (Link to these results)

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