A0A2K6AT41_MACNE Loading...

Store-operated calcium entry-associated regulatory factor

Negative regulator of store-operated Ca(2+) entry (SOCE) involved in protecting cells from Ca(2+) overfilling. In response to cytosolic Ca(2+) elevation after endoplasmic reticulum Ca(2+) refilling, promotes a slow inactivation of STIM (STIM1 or STIM2)-dependent SOCE activity: possibly act by facilitating the deoligomerization of STIM to efficiently turn off ORAI when the endoplasmic reticulum lumen is filled with the appropriate Ca(2+) levels, and thus preventing the overload of the cell with excessive Ca(2+) ions.

AlphaFold DB , UniProt , Accession A0A2K6AT41, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene SARAF, Length 339 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	39.3	Very low	47.5	Very low	249 Å²	249	106.5 Å²	106.5	100%	1.227	76%	0.763	S	S	*	*				0	98.5	0	-65.2	-175.5	-169.4	0	0	107.3
2	A	40	Very low	48.2	Very low	104 Å²	104	108.7 Å²	108.7	86%	0.86	75%	0.751	S	S	*	*			trans	-113.5	108.6	177.9	0	0	0	0	0	107.2
3	V	42.8	Very low	48.9	Very low	144 Å²	144	107.6 Å²	107.6	87%	0.873	74%	0.742	S	S	*	*			trans	-89.8	106.2	171.8	175.7	0	0	0	0	106.3	C5	V3-C5 PolarHBondContact O-N 2.9Å
4	A	43	Very low	49.7	Very low	96 Å²	96	109.4 Å²	109.4	79%	0.793	74%	0.739	S	S	*	*			trans	-69.9	119.1	172.6	0	0	0	0	0	109.1	G6	A4-G6 PolarHBondContact O-N 2.82Å
5	C	45.6	Very low	50.3	Low	132 Å²	132	108.9 Å²	108.9	89%	0.892	73%	0.725	S	S	*	*			trans	-79.4	111.7	170.9	-139.3	0	0	0	0	107.8	V3	V3-C5 PolarHBondContact O-N 2.9Å
6	G	47.4	Very low	51	Low	62 Å²	62	109.6 Å²	109.6	64%	0.639	72%	0.719	S	S	*	*			trans	-75.5	143.3	-175.3	0	0	0	0	0	113.4	A4 G8	A4-G6 PolarHBondContact O-N 2.82Å; G6-G8 VanDerWaalsContact C-N 3.26Å; G6-G8 PolarHBondContact O-N 2.92Å
7	P	49.9	Very low	51.7	Low	141 Å²	141	105.6 Å²	105.6	92%	0.916	70%	0.702	S	S	*	*	S	Bend	trans	-83.5	63.9	178.7	35.6	-33.5	0	0	0	110.7
8	G	51.7	Low	52.3	Low	49 Å²	49	105.7 Å²	105.7	51%	0.505	69%	0.694	S	S	.	*			trans	-98.2	-20.3	-176	0	0	0	0	0	115.6	G6 H12	G6-G8 VanDerWaalsContact C-N 3.26Å; G6-G8 PolarHBondContact O-N 2.92Å; G8-H12 PolarHBondContact O-ND1 2.77Å; G8-H12 VanDerWaalsContact O-ND1 3.11Å
9	A	53.5	Low	52.7	Low	83 Å²	83	106.3 Å²	106.3	69%	0.686	69%	0.686	S	S	*	*	H	α-helix	trans	-92.3	-22.7	-165.7	0	0	0	0	0	114.8
10	A	54.5	Low	53.2	Low	72 Å²	72	107.2 Å²	107.2	60%	0.595	68%	0.684	S	S	*	*	H	α-helix	trans	-76.4	-33.8	-174.6	0	0	0	0	0	113.5	L14	A10-L14 PolarHBondContact O-N 3.23Å
11	G	55	Low	53.5	Low	40 Å²	40	109.5 Å²	109.5	41%	0.412	69%	0.685	S	S	.	*	H	α-helix	trans	-70.3	-36.2	-178.7	0	0	0	0	0	113.6	L14 L15	G11-L14 PolarHBondContact O-N 2.68Å; G11-L15 WeakPolarHBondContact O-CD1 3.48Å; G11-L15 WeakPolarHBondContact O-CG 3.35Å; G11-L15 PolarHBondContact O-N 2.8Å; G11-L15 VanDerWaalsContact O-N 3.08Å
12	H	55.7	Low	54.4	Low	132 Å²	132	103 Å²	103	61%	0.611	65%	0.654	S	S	*	*	H	α-helix	trans	-70.5	-33.3	-179.2	-71.6	88.4	0	0	0	112.7	G8 L16	G8-H12 PolarHBondContact O-ND1 2.77Å; G8-H12 VanDerWaalsContact O-ND1 3.11Å; H12-L16 WeakPolarHBondContact O-CB 3.43Å; H12-L16 PolarHBondContact O-N 3.2Å
13	C	57	Low	55.3	Low	95 Å²	95	104.6 Å²	104.6	64%	0.642	65%	0.648	S	S	*	*	H	α-helix	trans	-72	-37.1	178.3	-142.9	0	0	0	0	111.9	G17	C13-G17 PolarHBondContact O-N 2.76Å
14	L	59.8	Low	56.1	Low	132 Å²	132	103.1 Å²	103.1	69%	0.691	64%	0.639	S	S	*	*	H	α-helix	trans	-68.6	-39	173.9	-80.1	161.3	0	0	0	112.3	A10 G11 G17 L18	A10-L14 PolarHBondContact O-N 3.23Å; G11-L14 PolarHBondContact O-N 2.68Å; L14-G17 PolarHBondContact O-N 3.28Å; L14-L18 WeakPolarHBondContact O-CB 3.13Å; L14-L18 PolarHBondContact O-N 3.37Å
15	L	59.9	Low	56.7	Low	102 Å²	102	101.7 Å²	101.7	53%	0.534	63%	0.627	S	S	.	*	H	α-helix	trans	-67.5	-39	176.2	-81.4	160.1	0	0	0	112.5	G11 L18 H19	G11-L15 WeakPolarHBondContact O-CD1 3.48Å; G11-L15 WeakPolarHBondContact O-CG 3.35Å; G11-L15 PolarHBondContact O-N 2.8Å; G11-L15 VanDerWaalsContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 3.26Å; L15-H19 PolarHBondContact O-N 3.12Å
16	L	61.7	Low	57.4	Low	120 Å²	120	97.7 Å²	97.7	63%	0.628	61%	0.608	S	S	*	*	H	α-helix	trans	-65.9	-41.4	173	-86.9	159.3	0	0	0	111.9	H12 H19 L20	H12-L16 WeakPolarHBondContact O-CB 3.43Å; H12-L16 PolarHBondContact O-N 3.2Å; L16-H19 PolarHBondContact O-N 2.86Å; L16-L20 WeakPolarHBondContact O-CB 3.18Å; L16-L20 PolarHBondContact O-N 2.72Å
17	G	62	Low	57.8	Low	42 Å²	42	100.2 Å²	100.2	43%	0.433	61%	0.613	S	S	.	*	H	α-helix	trans	-63.9	-40	174.4	0	0	0	0	0	113	C13 L14 L20 F21	C13-G17 PolarHBondContact O-N 2.76Å; L14-G17 PolarHBondContact O-N 3.28Å; G17-L20 PolarHBondContact O-N 2.79Å; G17-F21 WeakPolarHBondContact O-CB 3.38Å; G17-F21 PolarHBondContact O-N 2.69Å
18	L	62.5	Low	58.2	Low	107 Å²	107	98.3 Å²	98.3	56%	0.56	61%	0.609	S	S	*	*	H	α-helix	trans	-66.4	-42.2	176.4	-159.8	88.6	0	0	0	111.7	L14 L15 F21 L22	L14-L18 WeakPolarHBondContact O-CB 3.13Å; L14-L18 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.26Å; L18-F21 PolarHBondContact O-N 3.49Å; L18-L22 HydrophobicContact CD2-CD1 4.33Å; L18-L22 HydrophobicContact CG-CD1 4.28Å; L18-L22 WeakPolarHBondContact O-CB 3.26Å; L18-L22 WeakPolarHBondContact O-CD1 3.43Å; L18-L22 WeakPolarHBondContact O-CG 3.23Å; L18-L22 PolarHBondContact O-N 3.32Å
19	H	60.3	Low	58.4	Low	118 Å²	118	103.4 Å²	103.4	55%	0.546	62%	0.624	S	S	.	*	H	α-helix	trans	-64.3	-41	174.6	-96.1	-62.1	0	0	0	112.1	L15 L16 F21 L22 L23	L15-H19 PolarHBondContact O-N 3.12Å; L16-H19 PolarHBondContact O-N 2.86Å; H19-F21 VanDerWaalsContact C-N 3.32Å; H19-F21 PolarHBondContact O-N 3.46Å; H19-L22 PolarHBondContact O-N 3.5Å; H19-L23 WeakPolarHBondContact O-CD1 3.49Å; H19-L23 PolarHBondContact O-N 3.19Å
20	L	62	Low	58.4	Low	123 Å²	123	101.6 Å²	101.6	64%	0.644	61%	0.614	S	S	*	*	H	α-helix	trans	-63.8	-37.3	175.6	-132.3	84.7	0	0	0	112.1	L16 G17 L23 T24	L16-L20 WeakPolarHBondContact O-CB 3.18Å; L16-L20 PolarHBondContact O-N 2.72Å; G17-L20 PolarHBondContact O-N 2.79Å; L20-L23 PolarHBondContact O-N 2.92Å; L20-T24 PolarHBondContact O-N 3.01Å
21	F	58.9	Low	58.7	Low	157 Å²	157	107.7 Å²	107.7	69%	0.689	62%	0.622	S	S	*	*	H	α-helix	trans	-71.8	-33.1	177.3	-158.5	-94.6	0	0	0	112.7	G17 L18 H19 L23 T24 A25	G17-F21 WeakPolarHBondContact O-CB 3.38Å; G17-F21 PolarHBondContact O-N 2.69Å; L18-F21 PolarHBondContact O-N 3.49Å; H19-F21 VanDerWaalsContact C-N 3.32Å; H19-F21 PolarHBondContact O-N 3.46Å; F21-L23 VanDerWaalsContact C-N 3.33Å; F21-T24 PolarHBondContact O-OG1 2.86Å; F21-T24 VanDerWaalsContact O-OG1 3.09Å; F21-A25 PolarHBondContact O-N 3.17Å
22	L	59.2	Low	59.6	Low	113 Å²	113	112.9 Å²	112.9	59%	0.592	64%	0.64	S	S	*	*	H	α-helix	trans	-72.7	-25	173	-76.5	160.2	0	0	0	112.7	L18 H19	L18-L22 HydrophobicContact CD2-CD1 4.33Å; L18-L22 HydrophobicContact CG-CD1 4.28Å; L18-L22 WeakPolarHBondContact O-CB 3.26Å; L18-L22 WeakPolarHBondContact O-CD1 3.43Å; L18-L22 WeakPolarHBondContact O-CG 3.23Å; L18-L22 PolarHBondContact O-N 3.32Å; H19-L22 PolarHBondContact O-N 3.5Å
23	L	58	Low	60.8	Low	137 Å²	137	109.4 Å²	109.4	72%	0.717	63%	0.626	S	S	*	*	H	α-helix	trans	-78.5	-24.1	175	-89.5	147.6	0	0	0	113.3	H19 L20 F21	H19-L23 WeakPolarHBondContact O-CD1 3.49Å; H19-L23 PolarHBondContact O-N 3.19Å; L20-L23 PolarHBondContact O-N 2.92Å; F21-L23 VanDerWaalsContact C-N 3.33Å
24	T	59.8	Low	62.3	Low	113 Å²	113	109.2 Å²	109.2	69%	0.693	62%	0.623	S	S	*	*	H	α-helix	trans	-89.9	-20.7	174.3	57	0	0	0	0	113.2	L20 F21 G26	L20-T24 PolarHBondContact O-N 3.01Å; F21-T24 PolarHBondContact O-OG1 2.86Å; F21-T24 VanDerWaalsContact O-OG1 3.09Å; T24-G26 PolarHBondContact O-N 2.81Å
25	A	56.8	Low	63.8	Low	66 Å²	66	106.9 Å²	106.9	55%	0.545	61%	0.612	S	S	.	*			trans	-78.4	60.8	163.7	0	0	0	0	0	110.1	F21	F21-A25 PolarHBondContact O-N 3.17Å
26	G	58.8	Low	65.5	Low	48 Å²	48	104.6 Å²	104.6	50%	0.495	60%	0.596	S	S	.	*			trans	-52.5	145.4	162.2	0	0	0	0	0	108.5	T24 A28	T24-G26 PolarHBondContact O-N 2.81Å; G26-A28 PolarHBondContact O-N 3.36Å
27	P	57.3	Low	67	Low	114 Å²	114	101.2 Å²	101.2	74%	0.74	58%	0.578	S	S	*	*			trans	-54.1	117.9	175.1	24.2	-31.4	0	0	0	106.1	L29	P27-L29 PolarHBondContact O-N 3Å
28	A	57.6	Low	68.6	Low	101 Å²	101	100.9 Å²	100.9	84%	0.835	57%	0.566	S	S	*	*			trans	-57.8	96.8	159.3	0	0	0	0	0	103.5	G26 G30	G26-A28 PolarHBondContact O-N 3.36Å; A28-G30 PolarHBondContact O-N 3.38Å
29	L	55.6	Low	70.1	Confident	156 Å²	156	95.9 Å²	95.9	82%	0.817	54%	0.54	S	S	*	.			trans	-61	86.6	165	-75.4	164.8	0	0	0	103.2	P27 W31	P27-L29 PolarHBondContact O-N 3Å; L29-W31 PolarHBondContact O-N 3.01Å; L29-W31 VanDerWaalsContact O-N 3.1Å
30	G	54.1	Low	71.7	Confident	46 Å²	46	96.8 Å²	96.8	47%	0.474	54%	0.538	S	S	.	.			trans	-51.2	123.5	166.8	0	0	0	0	0	104.9	A28 N32	A28-G30 PolarHBondContact O-N 3.38Å; G30-N32 PolarHBondContact O-N 3.39Å
31	W	60.5	Low	73.3	Confident	199 Å²	199	95.7 Å²	95.7	75%	0.754	53%	0.533	S	S	*	.			trans	-59.4	84.5	169.9	-91.5	-35.1	0	0	0	107.5	L29 D33	L29-W31 PolarHBondContact O-N 3.01Å; L29-W31 VanDerWaalsContact O-N 3.1Å; W31-D33 PolarHBondContact O-N 3.42Å
32	N	73.8	Confident	75	Confident	149 Å²	149	89 Å²	89	80%	0.797	51%	0.505	S	S	*	.			trans	-90.8	46.9	176	-72.6	-21.4	0	0	0	108.4	G30 P34	G30-N32 PolarHBondContact O-N 3.39Å; N32-P34 VanDerWaalsContact O-CD 3.25Å; N32-P34 WeakPolarHBondContact O-CD 3.46Å
33	D	81.2	Confident	76.8	Confident	59 Å²	59	92.1 Å²	92.1	32%	0.316	51%	0.514	S	S	.	.			trans	-71.7	110.3	168.6	-83.7	-30	0	0	0	107.2	W31 D35 R36 Y117	W31-D33 PolarHBondContact O-N 3.42Å; D33-D35 PolarHBondContact O-N 2.61Å; D33-R36 HydrophobicContact CB-CB 3.7Å; D33-R36 HydrophobicContact CB-CG 4.33Å; D33-R36 PolarHBondContact O-N 2.91Å; D33-R36 WeakPolarHBondContact OD2-CD 3.32Å; D33-R36 IonicContact OD2-CZ 3.98Å; D33-R36 IonicContact OD2-NE 3.64Å; D33-R36 IonicContact OD2-NH1 3.89Å; D33-R36 PolarHBondContact OD2-NH1 2.8Å; D33-Y117 HydrophobicContact CB-CE1 3.85Å; D33-Y117 WeakPolarHBondContact CB-OH 3.23Å
34	P	87.6	Confident	78.7	Confident	91 Å²	91	87.9 Å²	87.9	59%	0.591	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	135.2	-176.4	27.2	-34.2	0	0	0	109.5	N32 R36 Y117	N32-P34 VanDerWaalsContact O-CD 3.25Å; N32-P34 WeakPolarHBondContact O-CD 3.46Å; P34-R36 PolarHBondContact O-N 2.89Å; P34-R36 VanDerWaalsContact O-N 3.08Å; P34-Y117 WeakPolarHBondContact O-CE2 3.08Å; P34-Y117 PolarHBondContact O-OH 3.41Å
35	D	92	Very high	80.5	Confident	84 Å²	84	83.5 Å²	83.5	45%	0.449	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	17	174.9	-62.3	-47	0	0	0	115.6	D33 L126 R127	D33-D35 PolarHBondContact O-N 2.61Å; D35-L126 HydrophobicContact CB-CD1 4Å; D35-R127 HydrophobicContact CB-CB 3.78Å; D35-R127 WeakPolarHBondContact O-CB 3.3Å; D35-R127 PolarHBondContact O-N 3.02Å; D35-R127 WeakPolarHBondContact OD1-CD 3.28Å; D35-R127 IonicContact OD1-NH1 3.75Å
36	R	94.7	Very high	82.5	Confident	53 Å²	53	84 Å²	84	20%	0.2	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.6	169	-171.3	177.9	-174.7	147	13.1	110.3	D33 P34 Y117 E118 D122 Y124	D33-R36 HydrophobicContact CB-CB 3.7Å; D33-R36 HydrophobicContact CB-CG 4.33Å; D33-R36 PolarHBondContact O-N 2.91Å; D33-R36 WeakPolarHBondContact OD2-CD 3.32Å; D33-R36 IonicContact OD2-CZ 3.98Å; D33-R36 IonicContact OD2-NE 3.64Å; D33-R36 IonicContact OD2-NH1 3.89Å; D33-R36 PolarHBondContact OD2-NH1 2.8Å; P34-R36 PolarHBondContact O-N 2.89Å; P34-R36 VanDerWaalsContact O-N 3.08Å; R36-Y117 HydrophobicContact CB-CD1 4.09Å; R36-Y117 HydrophobicContact CB-CD2 3.86Å; R36-Y117 HydrophobicContact CB-CE1 3.88Å; R36-Y117 HydrophobicContact CB-CE2 3.64Å; R36-Y117 HydrophobicContact CB-CG 4.1Å; R36-Y117 HydrophobicContact CG-CD1 3.7Å; R36-Y117 HydrophobicContact CG-CD2 4.04Å; R36-Y117 HydrophobicContact CG-CE1 3.93Å; R36-Y117 HydrophobicContact CG-CE2 4.26Å; R36-Y117 HydrophobicContact CG-CG 3.77Å; R36-E118 IonicContact CZ-OE1 3.35Å; R36-E118 IonicContact NH1-OE1 2.9Å; R36-E118 PolarHBondContact NH1-OE1 3.15Å; R36-E118 IonicContact NH2-OE1 3.06Å; R36-E118 PolarHBondContact NH2-OE1 3.4Å; R36-D122 IonicContact NH2-OD2 3.64Å; R36-Y124 HydrophobicContact CG-CD1 3.78Å; R36-Y124 HydrophobicContact CG-CG 4.01Å; R36-Y124 VanDerWaalsContact NE-CG 3.32Å
37	M	94.8	Very high	84.4	Confident	49 Å²	49	82 Å²	82	24%	0.241	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.6	175.5	64.7	-177.8	-171.9	0	0	112	L39 V42 Y124 V125 R127	M37-L39 PolarHBondContact O-N 2.77Å; M37-V42 HydrophobicContact CE-CG2 3.88Å; M37-V42 HydrophobicContact CG-CG2 4.46Å; M37-V42 HydrophobicContact SD-CG2 4.01Å; M37-Y124 CarbonylContact O-C 3.47Å; M37-Y124 VanDerWaalsContact O-CA 3.3Å; M37-Y124 WeakPolarHBondContact O-CA 3.42Å; M37-V125 HydrophobicContact CE-CG2 3.65Å; M37-V125 HydrophobicContact CG-CG2 3.84Å; M37-V125 WeakPolarHBondContact CG-O 3.41Å; M37-V125 PolarHBondContact N-O 3.14Å; M37-V125 PolarHBondContact O-N 2.86Å; M37-R127 HydrophobicContact SD-CB 4.16Å; M37-R127 HydrophobicContact SD-CG 4.24Å
38	L	94.4	Very high	86.3	Confident	36 Å²	36	78.8 Å²	78.8	19%	0.188	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	124.8	176.3	-171.9	68.8	0	0	0	109.5	R40 D41 Q123 Y124	L38-R40 HydrophobicContact CD2-CB 4.33Å; L38-R40 HydrophobicContact CG-CB 4.32Å; L38-R40 PolarHBondContact O-N 3.46Å; L38-D41 HydrophobicContact CB-CB 4.41Å; L38-D41 PolarHBondContact O-N 2.9Å; L38-Q123 HydrophobicContact CD1-CB 3.84Å; L38-Y124 HydrophobicContact CB-CD1 4.15Å; L38-Y124 HydrophobicContact CB-CE1 4Å; L38-Y124 HydrophobicContact CD1-CD1 4.21Å; L38-Y124 HydrophobicContact CD1-CD2 4.5Å; L38-Y124 HydrophobicContact CD1-CE1 4Å; L38-Y124 HydrophobicContact CD1-CE2 4.3Å; L38-Y124 HydrophobicContact CD1-CG 4.46Å
39	L	94.8	Very high	88.1	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.01	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-56.2	-39.9	-176.6	174.8	61.5	0	0	0	112.3	M37 D41 V42 V93 W95 Q123 V125 T336	M37-L39 PolarHBondContact O-N 2.77Å; L39-D41 PolarHBondContact O-N 3.39Å; L39-V42 WeakPolarHBondContact O-CB 3.49Å; L39-V42 WeakPolarHBondContact O-CG2 3.48Å; L39-V42 PolarHBondContact O-N 2.82Å; L39-V93 HydrophobicContact CG-CG2 4.05Å; L39-W95 HydrophobicContact CD1-CZ2 4.37Å; L39-Q123 WeakPolarHBondContact CB-O 3.42Å; L39-Q123 PolarHBondContact N-O 2.86Å; L39-V125 HydrophobicContact CB-CG1 4.04Å; L39-V125 HydrophobicContact CB-CG2 4.14Å; L39-V125 HydrophobicContact CD1-CG1 4.32Å; L39-V125 HydrophobicContact CD1-CG2 4.26Å; L39-T336 HydrophobicContact CD1-CG2 4.13Å; L39-T336 HydrophobicContact CD2-CG2 3.67Å
40	R	94.8	Very high	90	Very high	137 Å²	137	76.9 Å²	76.9	52%	0.517	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-60.3	-30.7	179.9	-166.4	-176.4	76.8	176.2	3.2	113.3	L38 V42 N85 W88	L38-R40 HydrophobicContact CD2-CB 4.33Å; L38-R40 HydrophobicContact CG-CB 4.32Å; L38-R40 PolarHBondContact O-N 3.46Å; R40-V42 VanDerWaalsContact C-N 3.34Å; R40-N85 PolarHBondContact O-ND2 3.03Å; R40-N85 VanDerWaalsContact O-ND2 3.11Å; R40-W88 HydrophobicContact CB-CE3 4.21Å; R40-W88 HydrophobicContact CB-CZ3 4.38Å; R40-W88 HydrophobicContact CG-CB 4.35Å; R40-W88 HydrophobicContact CG-CD2 4.11Å; R40-W88 HydrophobicContact CG-CE3 3.85Å; R40-W88 HydrophobicContact CG-CG 4.34Å; R40-W88 HydrophobicContact CG-CZ3 4.49Å
41	D	94.8	Very high	92.1	Very high	99 Å²	99	81.1 Å²	81.1	53%	0.529	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-89.7	-4.2	-174.5	-66.8	-5.8	0	0	0	112.6	L38 L39 K43	L38-D41 HydrophobicContact CB-CB 4.41Å; L38-D41 PolarHBondContact O-N 2.9Å; L39-D41 PolarHBondContact O-N 3.39Å; D41-K43 PolarHBondContact O-N 2.97Å
42	V	95.4	Very high	93.8	Very high	16 Å²	16	79 Å²	79	10%	0.097	38%	0.383	C	S	.	.			trans	-69.1	114.4	173.6	-174.4	0	0	0	0	108.9	M37 L39 R40 L45 N85 W95	M37-V42 HydrophobicContact CE-CG2 3.88Å; M37-V42 HydrophobicContact CG-CG2 4.46Å; M37-V42 HydrophobicContact SD-CG2 4.01Å; L39-V42 WeakPolarHBondContact O-CB 3.49Å; L39-V42 WeakPolarHBondContact O-CG2 3.48Å; L39-V42 PolarHBondContact O-N 2.82Å; R40-V42 VanDerWaalsContact C-N 3.34Å; V42-L45 HydrophobicContact CG1-CD2 3.78Å; V42-L45 HydrophobicContact CG1-CG 4.38Å; V42-N85 WeakPolarHBondContact O-CB 3.33Å; V42-N85 PolarHBondContact O-ND2 3.24Å; V42-W95 HydrophobicContact CB-CH2 3.99Å; V42-W95 HydrophobicContact CG1-CH2 3.75Å
43	K	96.8	Very high	95	Very high	180 Å²	180	72.1 Å²	72.1	78%	0.783	35%	0.347	S	S	*	.			trans	-80	-42.2	-175	-61.9	-177.3	-179.1	179.7	0	113.1	D41 N85	D41-K43 PolarHBondContact O-N 2.97Å; K43-N85 WeakPolarHBondContact O-CB 3.21Å; K43-N85 PolarHBondContact O-N 3.2Å
44	A	97.4	Very high	95.7	Very high	48 Å²	48	72.5 Å²	72.5	40%	0.397	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.4	-175.9	0	0	0	0	0	111.1	C83	A44-C83 CarbonylContact C-O 3.44Å; A44-C83 WeakPolarHBondContact CA-O 3.44Å; A44-C83 WeakPolarHBondContact CB-O 3.36Å
45	L	97.8	Very high	96	Very high	20 Å²	20	69.8 Å²	69.8	11%	0.105	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138	173.2	-57.6	172.4	0	0	0	108.5	V42 L47 Q82 C83 W95 V112 C130	V42-L45 HydrophobicContact CG1-CD2 3.78Å; V42-L45 HydrophobicContact CG1-CG 4.38Å; L45-L47 HydrophobicContact CB-CD1 4.48Å; L45-L47 HydrophobicContact CB-CD2 4.33Å; L45-L47 HydrophobicContact CB-CG 4.18Å; L45-Q82 WeakPolarHBondContact O-CA 3.24Å; L45-C83 HydrophobicContact CB-CB 4.22Å; L45-C83 PolarHBondContact N-O 3.49Å; L45-C83 PolarHBondContact O-N 3.5Å; L45-W95 HydrophobicContact CD1-CE3 4.38Å; L45-W95 HydrophobicContact CD1-CH2 3.95Å; L45-W95 HydrophobicContact CD1-CZ2 4.15Å; L45-W95 HydrophobicContact CD1-CZ3 4.06Å; L45-W95 HydrophobicContact CG-CH2 3.94Å; L45-W95 HydrophobicContact CG-CZ3 3.93Å; L45-V112 HydrophobicContact CD1-CG1 3.62Å; L45-C130 HydrophobicContact CD1-CB 3.84Å; L45-C130 HydrophobicContact CD2-CB 3.98Å
46	T	98.1	Very high	96	Very high	76 Å²	76	71.7 Å²	71.7	47%	0.466	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.3	168.6	-55	0	0	0	0	106.9	V80	T46-V80 HydrophobicContact CG2-CG2 3.8Å
47	L	97.9	Very high	95.8	Very high	6 Å²	6	74.9 Å²	74.9	3%	0.031	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.1	-168.4	-59.9	173.1	0	0	0	109.1	L45 Q63 L64 V80 I81 C130 L132	L45-L47 HydrophobicContact CB-CD1 4.48Å; L45-L47 HydrophobicContact CB-CD2 4.33Å; L45-L47 HydrophobicContact CB-CG 4.18Å; L47-Q63 HydrophobicContact CB-CB 4.23Å; L47-Q63 HydrophobicContact CD2-CB 4.1Å; L47-Q63 HydrophobicContact CD2-CG 4.41Å; L47-L64 HydrophobicContact CB-CD2 3.41Å; L47-L64 VanDerWaalsContact CB-CD2 3.41Å; L47-L64 HydrophobicContact CB-CG 3.93Å; L47-L64 HydrophobicContact CD1-CD2 4.07Å; L47-L64 HydrophobicContact CG-CD2 4.4Å; L47-V80 VanDerWaalsContact O-CA 3.32Å; L47-V80 WeakPolarHBondContact O-CA 2.78Å; L47-I81 PolarHBondContact N-O 3.02Å; L47-I81 PolarHBondContact O-N 2.92Å; L47-C130 VanDerWaalsContact CD2-O 3.27Å; L47-C130 WeakPolarHBondContact CD2-O 3.49Å; L47-L132 HydrophobicContact CD1-CB 3.39Å
48	H	97.7	Very high	95.7	Very high	47 Å²	47	75.8 Å²	75.8	22%	0.218	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142	-175	-64.1	-97.7	0	0	0	111.4	D50 R51 Q63 K79	H48-D50 VanDerWaalsContact C-N 3.26Å; H48-D50 WeakPolarHBondContact CB-OD1 3.48Å; H48-D50 PolarHBondContact O-N 3.43Å; H48-R51 HydrophobicContact CB-CB 4.08Å; H48-R51 HydrophobicContact CB-CG 3.83Å; H48-R51 PolarHBondContact O-N 3.03Å; H48-Q63 WeakPolarHBondContact O-CB 3.45Å; H48-K79 WeakPolarHBondContact CA-O 3.08Å
49	Y	95.4	Very high	95.7	Very high	117 Å²	117	80.5 Å²	80.5	46%	0.459	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.4	-178.4	87.3	-71.3	0	0	0	113.7	K79	Y49-K79 HydrophobicContact CD1-CB 3.84Å; Y49-K79 HydrophobicContact CD1-CG 4.01Å; Y49-K79 WeakPolarHBondContact CD1-O 3.46Å; Y49-K79 HydrophobicContact CE1-CB 4.15Å; Y49-K79 HydrophobicContact CE1-CD 4.43Å; Y49-K79 HydrophobicContact CE1-CG 3.97Å; Y49-K79 PolarHBondContact N-O 3Å
50	D	95.9	Very high	95.8	Very high	100 Å²	100	83.8 Å²	83.8	54%	0.535	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	10.7	-175.1	61.5	-16.2	0	0	0	113.2	H48	H48-D50 VanDerWaalsContact C-N 3.26Å; H48-D50 WeakPolarHBondContact CB-OD1 3.48Å; H48-D50 PolarHBondContact O-N 3.43Å
51	R	97.6	Very high	95.8	Very high	135 Å²	135	79.6 Å²	79.6	51%	0.509	39%	0.387	S	S	.	.			trans	-119.8	151.8	179.3	-63.7	-174.1	-174.9	-175.6	-1.6	111.5	H48 Q63	H48-R51 HydrophobicContact CB-CB 4.08Å; H48-R51 HydrophobicContact CB-CG 3.83Å; H48-R51 PolarHBondContact O-N 3.03Å; R51-Q63 HydrophobicContact CB-CG 4.22Å; R51-Q63 PolarHBondContact O-N 3.32Å
52	Y	97.6	Very high	95.9	Very high	155 Å²	155	76.7 Å²	76.7	61%	0.608	37%	0.373	S	S	*	.	B	Isolated β-bridge	trans	-103.5	155	174.4	-74.2	-104.6	0	0	0	110.8	P60 I61 P62 Q63	Y52-P60 HydrophobicContact CD1-CB 4.34Å; Y52-I61 CarbonylContact C-O 3.42Å; Y52-I61 VanDerWaalsContact CA-O 3.24Å; Y52-I61 WeakPolarHBondContact CA-O 3.49Å; Y52-I61 VanDerWaalsContact CD1-C 3.42Å; Y52-P62 HydrophobicContact CD1-CG 4.49Å; Y52-P62 HydrophobicContact CE1-CG 3.96Å; Y52-Q63 PolarHBondContact O-NE2 3.12Å
53	T	97.7	Very high	96	Very high	5 Å²	5	77.2 Å²	77.2	3%	0.031	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-70	148.4	172.5	62.5	0	0	0	0	109.9	P60 I61 Q63 G128 S129 R339	T53-P60 WeakPolarHBondContact O-CB 3.47Å; T53-I61 HydrophobicContact CG2-CD1 4.49Å; T53-I61 HydrophobicContact CG2-CG1 3.75Å; T53-I61 PolarHBondContact N-O 3.32Å; T53-I61 PolarHBondContact OG1-N 3.25Å; T53-I61 VanDerWaalsContact OG1-N 3.11Å; T53-I61 PolarHBondContact OG1-O 3.43Å; T53-Q63 HydrophobicContact CG2-CG 4.15Å; T53-G128 WeakPolarHBondContact CA-O 3.49Å; T53-S129 WeakPolarHBondContact CG2-O 3.4Å; T53-R339 PolarHBondContact OG1-NH2 3.27Å
54	T	96.3	Very high	96.1	Very high	66 Å²	66	69.2 Å²	69.2	41%	0.405	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-63.7	151.6	161.9	60.1	0	0	0	0	109.1	R127 G128 S129	T54-R127 PolarHBondContact OG1-O 2.99Å; T54-G128 PolarHBondContact N-O 2.86Å; T54-G128 WeakPolarHBondContact OG1-CA 3.17Å; T54-G128 PolarHBondContact OG1-O 3.4Å; T54-S129 WeakPolarHBondContact O-CA 3.26Å; T54-S129 WeakPolarHBondContact O-CB 3.43Å; T54-S129 PolarHBondContact OG1-N 2.83Å; T54-S129 VanDerWaalsContact OG1-N 3.1Å
55	S	94.2	Very high	96	Very high	34 Å²	34	72.1 Å²	72.1	24%	0.238	34%	0.344	C	S	.	.			trans	-150.2	147.3	175.2	-162	0	0	0	0	110.9	L58 E115	S55-L58 WeakPolarHBondContact CB-O 3.47Å; S55-L58 WeakPolarHBondContact OG-CA 3.5Å; S55-L58 PolarHBondContact OG-N 2.83Å; S55-L58 PolarHBondContact OG-O 2.72Å; S55-E115 WeakPolarHBondContact CA-OE2 3.48Å; S55-E115 VanDerWaalsContact CB-OE2 3.3Å; S55-E115 WeakPolarHBondContact CB-OE2 2.99Å; S55-E115 PolarHBondContact OG-OE2 2.92Å
56	R	91.1	Very high	95.9	Very high	124 Å²	124	71.8 Å²	71.8	47%	0.468	34%	0.344	S	S	.	.	S	Bend	trans	-122.6	-45.6	178.4	-179	175.9	74.2	173.8	5.9	111.7	E115 Y117 L126	R56-E115 PolarHBondContact N-OE1 2.89Å; R56-E115 PolarHBondContact N-OE2 3.26Å; R56-Y117 PolarHBondContact NH1-OH 3.28Å; R56-Y117 VanDerWaalsContact NH1-OH 3.11Å; R56-Y117 PolarHBondContact NH2-O 2.82Å; R56-L126 HydrophobicContact CB-CD2 3.87Å
57	R	91.8	Very high	95.8	Very high	120 Å²	120	72 Å²	72	45%	0.453	34%	0.344	S	S	.	.	S	Bend	trans	-97.3	-25.8	-177.8	-71.8	165.7	32.9	94.3	10.5	112.7	E115 Y117 E118	R57-E115 WeakPolarHBondContact CB-OE1 3.06Å; R57-E115 PolarHBondContact N-OE1 3.38Å; R57-Y117 WeakPolarHBondContact CD-O 3.32Å; R57-E118 WeakPolarHBondContact CD-O 3.44Å; R57-E118 VanDerWaalsContact CZ-O 3.24Å; R57-E118 PolarHBondContact NE-O 2.87Å; R57-E118 PolarHBondContact NH1-O 3.09Å
58	L	92.2	Very high	95.7	Very high	68 Å²	68	72.7 Å²	72.7	36%	0.356	35%	0.353	S	S	.	.	S	Bend	trans	-119.3	-174.5	-172.4	-60.3	178.5	0	0	0	110.8	S55 E115 R339	S55-L58 WeakPolarHBondContact CB-O 3.47Å; S55-L58 WeakPolarHBondContact OG-CA 3.5Å; S55-L58 PolarHBondContact OG-N 2.83Å; S55-L58 PolarHBondContact OG-O 2.72Å; L58-E115 HydrophobicContact CD1-CG 4.29Å; L58-R339 HydrophobicContact CD1-CB 3.85Å; L58-R339 HydrophobicContact CD1-CG 3.7Å; L58-R339 WeakPolarHBondContact CD1-OXT 3.1Å
59	D	94.3	Very high	95.6	Very high	136 Å²	136	72 Å²	72	73%	0.727	36%	0.358	S	S	*	.			trans	-84.7	138.7	169.9	-67.3	-39.8	0	0	0	111.2	I61 R339	D59-I61 PolarHBondContact O-N 3.44Å; D59-R339 PolarHBondContact O-NH1 3.34Å
60	P	96.1	Very high	95.5	Very high	71 Å²	71	71 Å²	71	46%	0.461	37%	0.365	S	S	.	.			trans	-54.3	130.8	168.5	-27.7	36.4	0	0	0	112.1	Y52 T53	Y52-P60 HydrophobicContact CD1-CB 4.34Å; T53-P60 WeakPolarHBondContact O-CB 3.47Å
61	I	96	Very high	95.3	Very high	48 Å²	48	66.7 Å²	66.7	25%	0.246	34%	0.343	C	S	.	.			trans	-112.2	161.2	174.4	65.8	175.4	0	0	0	110.4	Y52 T53 D59 Q63 R339	Y52-I61 CarbonylContact C-O 3.42Å; Y52-I61 VanDerWaalsContact CA-O 3.24Å; Y52-I61 WeakPolarHBondContact CA-O 3.49Å; Y52-I61 VanDerWaalsContact CD1-C 3.42Å; T53-I61 HydrophobicContact CG2-CD1 4.49Å; T53-I61 HydrophobicContact CG2-CG1 3.75Å; T53-I61 PolarHBondContact N-O 3.32Å; T53-I61 PolarHBondContact OG1-N 3.25Å; T53-I61 VanDerWaalsContact OG1-N 3.11Å; T53-I61 PolarHBondContact OG1-O 3.43Å; D59-I61 PolarHBondContact O-N 3.44Å; I61-Q63 PolarHBondContact O-N 3.01Å; I61-R339 VanDerWaalsContact CD1-CZ 3.4Å; I61-R339 VanDerWaalsContact CG1-NH1 3.32Å
62	P	97.4	Very high	95	Very high	38 Å²	38	61.6 Å²	61.6	25%	0.247	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-57.1	138.9	169.6	-24.1	35	0	0	0	111.4	Y52 L64	Y52-P62 HydrophobicContact CD1-CG 4.49Å; Y52-P62 HydrophobicContact CE1-CG 3.96Å; P62-L64 PolarHBondContact O-N 3.41Å
63	Q	97.8	Very high	94.8	Very high	27 Å²	27	56 Å²	56	13%	0.126	32%	0.316	C	S	.	.	S	Bend	trans	-65.8	-29.9	177	-72.3	-177.6	-2.8	0	0	112.3	L47 H48 R51 Y52 T53 I61 G131 L132	L47-Q63 HydrophobicContact CB-CB 4.23Å; L47-Q63 HydrophobicContact CD2-CB 4.1Å; L47-Q63 HydrophobicContact CD2-CG 4.41Å; H48-Q63 WeakPolarHBondContact O-CB 3.45Å; R51-Q63 HydrophobicContact CB-CG 4.22Å; R51-Q63 PolarHBondContact O-N 3.32Å; Y52-Q63 PolarHBondContact O-NE2 3.12Å; T53-Q63 HydrophobicContact CG2-CG 4.15Å; I61-Q63 PolarHBondContact O-N 3.01Å; Q63-G131 CarbonylContact O-C 3.56Å; Q63-G131 WeakPolarHBondContact O-CA 3.44Å; Q63-L132 PolarHBondContact O-N 3Å
64	L	97.3	Very high	94.5	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.063	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.1	171.5	-63.1	-176.7	0	0	0	109.6	L47 P62 I81 L132 Y134	L47-L64 HydrophobicContact CB-CD2 3.41Å; L47-L64 VanDerWaalsContact CB-CD2 3.41Å; L47-L64 HydrophobicContact CB-CG 3.93Å; L47-L64 HydrophobicContact CD1-CD2 4.07Å; L47-L64 HydrophobicContact CG-CD2 4.4Å; P62-L64 PolarHBondContact O-N 3.41Å; L64-I81 HydrophobicContact CD1-CB 4.39Å; L64-I81 HydrophobicContact CD1-CD1 4.21Å; L64-I81 HydrophobicContact CD1-CG1 3.96Å; L64-I81 HydrophobicContact CD2-CB 4.02Å; L64-I81 HydrophobicContact CD2-CD1 3.92Å; L64-I81 HydrophobicContact CD2-CG1 4.11Å; L64-L132 HydrophobicContact CD2-CB 3.93Å; L64-L132 HydrophobicContact CD2-CD2 4.11Å; L64-Y134 HydrophobicContact CB-CE1 4.42Å
65	K	95.9	Very high	94.1	Very high	109 Å²	109	63.1 Å²	63.1	47%	0.474	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	117.4	177.6	-174.7	64.6	-177.4	178.5	0	111.1	V67 L132 E133 Y134	K65-V67 HydrophobicContact CG-CG1 3.88Å; K65-L132 PolarHBondContact N-O 3.3Å; K65-E133 HydrophobicContact CB-CG 4.36Å; K65-E133 VanDerWaalsContact O-CA 3.29Å; K65-E133 WeakPolarHBondContact O-CA 3.37Å; K65-Y134 WeakPolarHBondContact O-CD1 3.41Å; K65-Y134 PolarHBondContact O-N 2.97Å
66	C	96.3	Very high	93.8	Very high	14 Å²	14	65.5 Å²	65.5	10%	0.095	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.4	163.9	-178.7	0	0	0	0	109.5	C73 Y134	C66-C73 HydrophobicContact CB-CB 3.58Å; C66-C73 WeakPolarHBondContact CB-SG 3.32Å; C66-C73 WeakPolarHBondContact SG-CA 3.4Å; C66-C73 WeakPolarHBondContact SG-CB 3.2Å; C66-C73 CovalentContact SG-SG 2.04Å; C66-C73 PolarHBondContact SG-SG 3.04Å; C66-Y134 WeakPolarHBondContact CA-O 3.26Å; C66-Y134 HydrophobicContact CB-CD2 4.48Å; C66-Y134 HydrophobicContact CB-CE1 4.23Å; C66-Y134 HydrophobicContact CB-CE2 3.78Å
67	V	95.8	Very high	93.7	Very high	79 Å²	79	63.2 Å²	63.2	48%	0.479	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-0.6	-178.5	-59.2	0	0	0	0	113.6	K65 E133 Y134 N135	K65-V67 HydrophobicContact CG-CG1 3.88Å; V67-E133 HydrophobicContact CG1-CB 4Å; V67-E133 HydrophobicContact CG1-CG 3.93Å; V67-E133 HydrophobicContact CG2-CB 4.35Å; V67-Y134 PolarHBondContact N-O 3.06Å; V67-N135 WeakPolarHBondContact CG2-OD1 3.36Å
68	G	95.3	Very high	93.7	Very high	21 Å²	21	57.6 Å²	57.6	22%	0.216	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.2	-148.6	174.9	0	0	0	0	0	113.3	C73 N135 L136	G68-C73 PolarHBondContact N-SG 2.88Å; G68-N135 PolarHBondContact N-OD1 3.25Å; G68-N135 CarbonylContact O-C 3.24Å; G68-N135 VanDerWaalsContact O-CA 3.26Å; G68-N135 WeakPolarHBondContact O-CA 3.41Å; G68-L136 PolarHBondContact O-N 3.45Å
69	G	94.8	Very high	93.8	Very high	32 Å²	32	61.2 Å²	61.2	33%	0.33	35%	0.351	S	S	.	.			trans	106.7	164.8	-175.7	0	0	0	0	0	112.6	A71 G72 L136 D137	G69-A71 PolarHBondContact O-N 2.92Å; G69-G72 PolarHBondContact O-N 2.83Å; G69-L136 CarbonylContact C-O 3.52Å; G69-L136 VanDerWaalsContact C-O 3.24Å; G69-L136 VanDerWaalsContact CA-O 3.26Å; G69-L136 WeakPolarHBondContact CA-O 3.48Å; G69-D137 WeakPolarHBondContact CA-OD1 3.38Å
70	T	93.6	Very high	93.9	Very high	98 Å²	98	57.9 Å²	57.9	60%	0.601	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.2	-175.5	51.3	0	0	0	0	113.4	L136 D137 Y138	T70-L136 PolarHBondContact N-O 2.98Å; T70-D137 PolarHBondContact N-OD1 3.02Å; T70-D137 WeakPolarHBondContact OG1-CA 3.09Å; T70-D137 WeakPolarHBondContact OG1-CB 3.25Å; T70-D137 PolarHBondContact OG1-OD1 3.05Å; T70-Y138 WeakPolarHBondContact O-CE2 3.16Å; T70-Y138 PolarHBondContact OG1-N 2.8Å
71	A	92.7	Very high	94	Very high	8 Å²	8	54.5 Å²	54.5	7%	0.066	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-17.1	174.7	0	0	0	0	0	113.8	G69 S75 Y105 L136 Y138	G69-A71 PolarHBondContact O-N 2.92Å; A71-S75 WeakPolarHBondContact O-CB 3.35Å; A71-S75 PolarHBondContact O-OG 3.07Å; A71-Y105 HydrophobicContact CB-CD1 3.77Å; A71-Y105 HydrophobicContact CB-CE1 3.77Å; A71-L136 HydrophobicContact CB-CB 4.46Å; A71-L136 HydrophobicContact CB-CD2 4.2Å; A71-L136 HydrophobicContact CB-CG 4.15Å; A71-L136 WeakPolarHBondContact CB-O 3.41Å; A71-L136 PolarHBondContact N-O 2.66Å; A71-Y138 HydrophobicContact CB-CD1 4.28Å; A71-Y138 HydrophobicContact CB-CD2 3.9Å; A71-Y138 HydrophobicContact CB-CE1 4.13Å; A71-Y138 HydrophobicContact CB-CE2 3.74Å; A71-Y138 HydrophobicContact CB-CG 4.15Å
72	G	91.9	Very high	94.1	Very high	28 Å²	28	56.9 Å²	56.9	29%	0.289	32%	0.323	S	S	.	.			trans	68.9	165.5	-170.9	0	0	0	0	0	113.2	G69	G69-G72 PolarHBondContact O-N 2.83Å
73	C	93.3	Very high	94.2	Very high	38 Å²	38	55 Å²	55	26%	0.257	31%	0.312	S	S	.	.	S	Bend	trans	-85	-16.4	-172.8	-65	0	0	0	0	114.6	C66 G68 S75	C66-C73 HydrophobicContact CB-CB 3.58Å; C66-C73 WeakPolarHBondContact CB-SG 3.32Å; C66-C73 WeakPolarHBondContact SG-CA 3.4Å; C66-C73 WeakPolarHBondContact SG-CB 3.2Å; C66-C73 CovalentContact SG-SG 2.04Å; C66-C73 PolarHBondContact SG-SG 3.04Å; G68-C73 PolarHBondContact N-SG 2.88Å; C73-S75 VanDerWaalsContact C-N 3.34Å
74	D	90.4	Very high	94.2	Very high	170 Å²	170	57.1 Å²	57.1	91%	0.909	32%	0.322	S	S	*	.	S	Bend	trans	-84.5	-12.3	180	-57.5	-41.4	0	0	0	112.7
75	S	88.5	Confident	94.2	Very high	50 Å²	50	58.4 Å²	58.4	35%	0.35	33%	0.328	S	S	.	.	S	Bend	trans	-70.3	-48.8	-176.6	-71.4	0	0	0	0	112.8	A71 C73	A71-S75 WeakPolarHBondContact O-CB 3.35Å; A71-S75 PolarHBondContact O-OG 3.07Å; C73-S75 VanDerWaalsContact C-N 3.34Å
76	Y	87.3	Confident	94.2	Very high	84 Å²	84	57.9 Å²	57.9	33%	0.329	33%	0.326	S	S	.	.			trans	-159.3	136	-179.4	-177.6	-91	0	0	0	111.2	P78 L101 Y105 L136	Y76-P78 HydrophobicContact CE1-CB 4.07Å; Y76-L101 HydrophobicContact CD1-CD2 3.74Å; Y76-L101 HydrophobicContact CE1-CD2 3.42Å; Y76-L101 VanDerWaalsContact CE1-CD2 3.42Å; Y76-Y105 HydrophobicContact CG-CD2 4.48Å; Y76-L136 WeakPolarHBondContact O-CD2 3.3Å
77	T	88.8	Confident	94.2	Very high	77 Å²	77	58.6 Å²	58.6	47%	0.472	34%	0.335	S	S	.	.			trans	-125.1	111.4	176.4	47	0	0	0	0	110.4	K79	T77-K79 PolarHBondContact O-N 3.14Å
78	P	92.4	Very high	93.9	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	33%	0.329	C	S	.	.			trans	-65	133.8	174.5	26	-32.9	0	0	0	110.2	Y76 I81 T99 L101 Y134	Y76-P78 HydrophobicContact CE1-CB 4.07Å; P78-I81 HydrophobicContact CB-CD1 4.4Å; P78-I81 HydrophobicContact CB-CG1 4.13Å; P78-I81 HydrophobicContact CG-CD1 3.68Å; P78-I81 HydrophobicContact CG-CG1 3.95Å; P78-T99 HydrophobicContact CB-CG2 4.02Å; P78-T99 HydrophobicContact CG-CG2 4.41Å; P78-L101 HydrophobicContact CB-CD2 4.29Å; P78-L101 HydrophobicContact CG-CD2 4.39Å; P78-Y134 WeakPolarHBondContact CD-OH 3.11Å
79	K	94.3	Very high	93.6	Very high	145 Å²	145	62.6 Å²	62.6	63%	0.63	34%	0.342	S	S	*	.	S	Bend	trans	-72.4	-32.9	-178.9	-65.9	-176.2	179.1	-179.9	0	112.9	H48 Y49 T77	H48-K79 WeakPolarHBondContact CA-O 3.08Å; Y49-K79 HydrophobicContact CD1-CB 3.84Å; Y49-K79 HydrophobicContact CD1-CG 4.01Å; Y49-K79 WeakPolarHBondContact CD1-O 3.46Å; Y49-K79 HydrophobicContact CE1-CB 4.15Å; Y49-K79 HydrophobicContact CE1-CD 4.43Å; Y49-K79 HydrophobicContact CE1-CG 3.97Å; Y49-K79 PolarHBondContact N-O 3Å; T77-K79 PolarHBondContact O-N 3.14Å
80	V	97	Very high	93.2	Very high	66 Å²	66	63.1 Å²	63.1	40%	0.4	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136.1	-178.6	64	0	0	0	0	109.5	T46 L47 T99	T46-V80 HydrophobicContact CG2-CG2 3.8Å; L47-V80 VanDerWaalsContact O-CA 3.32Å; L47-V80 WeakPolarHBondContact O-CA 2.78Å; V80-T99 PolarHBondContact O-OG1 2.85Å; V80-T99 VanDerWaalsContact O-OG1 3.05Å
81	I	97.9	Very high	92.7	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.7	170.5	-59.7	177.9	0	0	0	107.8	L47 L64 P78 C97 T99 F107 L132 Y134	L47-I81 PolarHBondContact N-O 3.02Å; L47-I81 PolarHBondContact O-N 2.92Å; L64-I81 HydrophobicContact CD1-CB 4.39Å; L64-I81 HydrophobicContact CD1-CD1 4.21Å; L64-I81 HydrophobicContact CD1-CG1 3.96Å; L64-I81 HydrophobicContact CD2-CB 4.02Å; L64-I81 HydrophobicContact CD2-CD1 3.92Å; L64-I81 HydrophobicContact CD2-CG1 4.11Å; P78-I81 HydrophobicContact CB-CD1 4.4Å; P78-I81 HydrophobicContact CB-CG1 4.13Å; P78-I81 HydrophobicContact CG-CD1 3.68Å; P78-I81 HydrophobicContact CG-CG1 3.95Å; I81-C97 HydrophobicContact CG2-CB 3.79Å; I81-T99 HydrophobicContact CG1-CG2 4.24Å; I81-F107 HydrophobicContact CD1-CE1 3.9Å; I81-F107 HydrophobicContact CD1-CZ 3.68Å; I81-F107 HydrophobicContact CG1-CZ 4.35Å; I81-L132 HydrophobicContact CB-CD2 4.18Å; I81-L132 HydrophobicContact CD1-CD2 3.68Å; I81-L132 HydrophobicContact CG2-CD2 3.72Å; I81-Y134 HydrophobicContact CD1-CD1 4.29Å; I81-Y134 HydrophobicContact CD1-CE1 4.43Å
82	Q	98.1	Very high	92.6	Very high	97 Å²	97	69.3 Å²	69.3	45%	0.453	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.9	175	-168.5	178.1	18.5	0	0	109.9	L45 C97 K98	L45-Q82 WeakPolarHBondContact O-CA 3.24Å; Q82-C97 CarbonylContact O-C 3.49Å; Q82-C97 WeakPolarHBondContact O-CA 3.45Å; Q82-K98 PolarHBondContact N-O 2.86Å; Q82-K98 VanDerWaalsContact N-O 3.07Å; Q82-K98 PolarHBondContact O-N 3.2Å
83	C	98.1	Very high	92.7	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.8	174.4	-55.3	0	0	0	0	110.5	A44 L45 W95 E96 C97	A44-C83 CarbonylContact C-O 3.44Å; A44-C83 WeakPolarHBondContact CA-O 3.44Å; A44-C83 WeakPolarHBondContact CB-O 3.36Å; L45-C83 HydrophobicContact CB-CB 4.22Å; L45-C83 PolarHBondContact N-O 3.49Å; L45-C83 PolarHBondContact O-N 3.5Å; C83-W95 HydrophobicContact CB-CE3 3.99Å; C83-E96 CarbonylContact C-O 3.51Å; C83-E96 VanDerWaalsContact CA-O 3.32Å; C83-E96 WeakPolarHBondContact CA-O 2.99Å; C83-C97 HydrophobicContact CB-CB 4.11Å; C83-C97 WeakPolarHBondContact CB-SG 3.32Å; C83-C97 WeakPolarHBondContact SG-CB 3.19Å; C83-C97 CovalentContact SG-SG 2.05Å; C83-C97 PolarHBondContact SG-SG 3.45Å
84	Q	98.1	Very high	92.9	Very high	71 Å²	71	70.9 Å²	70.9	33%	0.332	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.6	175.6	-64.3	180	8.4	0	0	109.3	K86 W95 E96	Q84-K86 PolarHBondContact O-N 2.77Å; Q84-K86 VanDerWaalsContact OE1-NZ 3.08Å; Q84-W95 WeakPolarHBondContact O-CA 3.28Å; Q84-E96 PolarHBondContact N-O 2.04Å; Q84-E96 PolarHBondContact O-N 3.01Å
85	N	97.4	Very high	93.2	Very high	38 Å²	38	62.9 Å²	62.9	20%	0.203	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.6	170.2	179.6	-14.6	0	0	0	108.7	R40 V42 K43 G87 V93 W95	R40-N85 PolarHBondContact O-ND2 3.03Å; R40-N85 VanDerWaalsContact O-ND2 3.11Å; V42-N85 WeakPolarHBondContact O-CB 3.33Å; V42-N85 PolarHBondContact O-ND2 3.24Å; K43-N85 WeakPolarHBondContact O-CB 3.21Å; K43-N85 PolarHBondContact O-N 3.2Å; N85-G87 PolarHBondContact OD1-N 2.97Å; N85-G87 PolarHBondContact OD1-O 2.88Å; N85-V93 HydrophobicContact CB-CG1 4Å; N85-V93 WeakPolarHBondContact ND2-CG1 3.26Å; N85-V93 VanDerWaalsContact OD1-CG1 3.3Å; N85-V93 WeakPolarHBondContact OD1-CG1 3.37Å; N85-W95 HydrophobicContact CB-CE3 4.24Å; N85-W95 HydrophobicContact CB-CH2 4.15Å; N85-W95 HydrophobicContact CB-CZ3 3.82Å
86	K	97.1	Very high	93.7	Very high	99 Å²	99	60.9 Å²	60.9	43%	0.43	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-7.8	179.1	-66.5	-55.7	-175.3	-180	0	114	Q84 Q94 E96	Q84-K86 PolarHBondContact O-N 2.77Å; Q84-K86 VanDerWaalsContact OE1-NZ 3.08Å; K86-Q94 PolarHBondContact N-O 2.96Å; K86-E96 HydrophobicContact CD-CB 4.27Å; K86-E96 VanDerWaalsContact CE-CB 3.42Å; K86-E96 WeakPolarHBondContact CE-OE2 3.15Å; K86-E96 HydrophobicContact CG-CB 3.7Å; K86-E96 IonicContact NZ-OE2 3.12Å; K86-E96 PolarHBondContact NZ-OE2 2.99Å
87	G	94.9	Very high	94.2	Very high	28 Å²	28	57 Å²	57	29%	0.289	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.7	-169.6	-178.3	0	0	0	0	0	111.9	N85 Q94	N85-G87 PolarHBondContact OD1-N 2.97Å; N85-G87 PolarHBondContact OD1-O 2.88Å; G87-Q94 PolarHBondContact O-N 3.19Å
88	W	91.1	Very high	94.6	Very high	93 Å²	93	57 Å²	57	35%	0.352	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.6	-174.4	171.9	-90.8	0	0	0	108.2	R40 G90 Y91 V93	R40-W88 HydrophobicContact CB-CE3 4.21Å; R40-W88 HydrophobicContact CB-CZ3 4.38Å; R40-W88 HydrophobicContact CG-CB 4.35Å; R40-W88 HydrophobicContact CG-CD2 4.11Å; R40-W88 HydrophobicContact CG-CE3 3.85Å; R40-W88 HydrophobicContact CG-CG 4.34Å; R40-W88 HydrophobicContact CG-CZ3 4.49Å; W88-G90 VanDerWaalsContact CE2-C 3.45Å; W88-G90 WeakPolarHBondContact CZ2-O 3.35Å; W88-G90 VanDerWaalsContact NE1-N 3.14Å; W88-G90 PolarHBondContact NE1-O 2.89Å; W88-Y91 WeakPolarHBondContact CH2-O 3.46Å; W88-Y91 VanDerWaalsContact CZ2-C 3.42Å; W88-Y91 WeakPolarHBondContact CZ2-O 3.29Å; W88-V93 HydrophobicContact CE3-CG2 3.82Å; W88-V93 HydrophobicContact CZ3-CG2 4.12Å
89	D	88.4	Confident	94.8	Very high	91 Å²	91	57.8 Å²	57.8	49%	0.487	29%	0.285	S	S	.	.			trans	-96.9	0.4	-175.2	63.5	7.9	0	0	0	114.5	Y91 D92	D89-Y91 PolarHBondContact OD1-N 2.89Å; D89-D92 PolarHBondContact N-O 3.34Å; D89-D92 PolarHBondContact OD1-N 2.76Å; D89-D92 VanDerWaalsContact OD1-O 3.1Å
90	G	86.3	Confident	94.8	Very high	43 Å²	43	55 Å²	55	44%	0.443	28%	0.277	S	S	.	.	S	Bend	trans	115.1	-26.2	-173	0	0	0	0	0	112.6	W88	W88-G90 VanDerWaalsContact CE2-C 3.45Å; W88-G90 WeakPolarHBondContact CZ2-O 3.35Å; W88-G90 VanDerWaalsContact NE1-N 3.14Å; W88-G90 PolarHBondContact NE1-O 2.89Å
91	Y	83.4	Confident	94.6	Very high	192 Å²	192	51.9 Å²	51.9	75%	0.753	26%	0.258	S	S	*	.	S	Bend	trans	-128.6	-40.7	-173.5	-66.4	-86.9	0	0	0	113.4	W88 D89 R338	W88-Y91 WeakPolarHBondContact CH2-O 3.46Å; W88-Y91 VanDerWaalsContact CZ2-C 3.42Å; W88-Y91 WeakPolarHBondContact CZ2-O 3.29Å; D89-Y91 PolarHBondContact OD1-N 2.89Å; Y91-R338 PolarHBondContact O-NH2 3.28Å; Y91-R338 VanDerWaalsContact O-NH2 3.14Å
92	D	88.9	Confident	94.4	Very high	45 Å²	45	52.8 Å²	52.8	24%	0.241	26%	0.263	C	S	.	.	S	Bend	trans	-140.7	163.6	-178.9	-83.9	-46.5	0	0	0	113.3	D89 R338	D89-D92 PolarHBondContact N-O 3.34Å; D89-D92 PolarHBondContact OD1-N 2.76Å; D89-D92 VanDerWaalsContact OD1-O 3.1Å; D92-R338 IonicContact OD1-CZ 3.36Å; D92-R338 IonicContact OD1-NE 3.83Å; D92-R338 IonicContact OD1-NH2 2.77Å; D92-R338 PolarHBondContact OD1-NH2 3.46Å
93	V	95.1	Very high	94.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.2	174	177.1	0	0	0	0	110.1	L39 N85 W88 W95 T336	L39-V93 HydrophobicContact CG-CG2 4.05Å; N85-V93 HydrophobicContact CB-CG1 4Å; N85-V93 WeakPolarHBondContact ND2-CG1 3.26Å; N85-V93 VanDerWaalsContact OD1-CG1 3.3Å; N85-V93 WeakPolarHBondContact OD1-CG1 3.37Å; W88-V93 HydrophobicContact CE3-CG2 3.82Å; W88-V93 HydrophobicContact CZ3-CG2 4.12Å; V93-W95 HydrophobicContact CB-CZ2 4.25Å; V93-W95 HydrophobicContact CG1-CD2 3.97Å; V93-W95 VanDerWaalsContact CG1-CE2 3.49Å; V93-W95 HydrophobicContact CG1-CG 4.36Å; V93-W95 HydrophobicContact CG1-CH2 4.31Å; V93-W95 HydrophobicContact CG1-CZ2 3.7Å; V93-T336 PolarHBondContact O-OG1 3.41Å
94	Q	96.5	Very high	93.9	Very high	98 Å²	98	50.1 Å²	50.1	46%	0.458	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.5	172.4	-63.9	-171.4	-12.5	0	0	110.2	K86 G87	K86-Q94 PolarHBondContact N-O 2.96Å; G87-Q94 PolarHBondContact O-N 3.19Å
95	W	97.7	Very high	93.7	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.7	-179.3	-62.9	98.8	0	0	0	111.5	L39 V42 L45 C83 Q84 N85 V93 V112 Y333 G334 T336	L39-W95 HydrophobicContact CD1-CZ2 4.37Å; V42-W95 HydrophobicContact CB-CH2 3.99Å; V42-W95 HydrophobicContact CG1-CH2 3.75Å; L45-W95 HydrophobicContact CD1-CE3 4.38Å; L45-W95 HydrophobicContact CD1-CH2 3.95Å; L45-W95 HydrophobicContact CD1-CZ2 4.15Å; L45-W95 HydrophobicContact CD1-CZ3 4.06Å; L45-W95 HydrophobicContact CG-CH2 3.94Å; L45-W95 HydrophobicContact CG-CZ3 3.93Å; C83-W95 HydrophobicContact CB-CE3 3.99Å; Q84-W95 WeakPolarHBondContact O-CA 3.28Å; N85-W95 HydrophobicContact CB-CE3 4.24Å; N85-W95 HydrophobicContact CB-CH2 4.15Å; N85-W95 HydrophobicContact CB-CZ3 3.82Å; V93-W95 HydrophobicContact CB-CZ2 4.25Å; V93-W95 HydrophobicContact CG1-CD2 3.97Å; V93-W95 VanDerWaalsContact CG1-CE2 3.49Å; V93-W95 HydrophobicContact CG1-CG 4.36Å; V93-W95 HydrophobicContact CG1-CH2 4.31Å; V93-W95 HydrophobicContact CG1-CZ2 3.7Å; W95-V112 HydrophobicContact CB-CG2 3.93Å; W95-V112 HydrophobicContact CD2-CG2 4.1Å; W95-V112 HydrophobicContact CG-CB 4.15Å; W95-V112 HydrophobicContact CG-CG2 3.6Å; W95-Y333 WeakPolarHBondContact O-CA 3.37Å; W95-G334 WeakPolarHBondContact CB-O 3.39Å; W95-G334 PolarHBondContact N-O 3.48Å; W95-G334 PolarHBondContact O-N 3.49Å; W95-T336 PolarHBondContact NE1-OG1 2.9Å
96	E	97.9	Very high	93.6	Very high	9 Å²	9	51 Å²	51	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.4	161.6	-176	-172.1	-157	0	0	108.5	C83 Q84 K86 K98 Y333	C83-E96 CarbonylContact C-O 3.51Å; C83-E96 VanDerWaalsContact CA-O 3.32Å; C83-E96 WeakPolarHBondContact CA-O 2.99Å; Q84-E96 PolarHBondContact N-O 2.04Å; Q84-E96 PolarHBondContact O-N 3.01Å; K86-E96 HydrophobicContact CD-CB 4.27Å; K86-E96 VanDerWaalsContact CE-CB 3.42Å; K86-E96 WeakPolarHBondContact CE-OE2 3.15Å; K86-E96 HydrophobicContact CG-CB 3.7Å; K86-E96 IonicContact NZ-OE2 3.12Å; K86-E96 PolarHBondContact NZ-OE2 2.99Å; E96-K98 VanDerWaalsContact CD-NZ 3.34Å; E96-K98 HydrophobicContact CG-CG 4.43Å; E96-K98 WeakPolarHBondContact OE1-CE 3.08Å; E96-K98 IonicContact OE1-NZ 3.02Å; E96-K98 PolarHBondContact OE1-NZ 3.48Å; E96-K98 WeakPolarHBondContact OE2-CE 3.1Å; E96-K98 IonicContact OE2-NZ 3Å; E96-K98 PolarHBondContact OE2-NZ 3.3Å; E96-Y333 HydrophobicContact CB-CD1 3.96Å; E96-Y333 HydrophobicContact CB-CE1 3.69Å; E96-Y333 HydrophobicContact CG-CD1 4.11Å; E96-Y333 HydrophobicContact CG-CE1 3.56Å; E96-Y333 HydrophobicContact CG-CE2 4.41Å; E96-Y333 PolarHBondContact OE1-OH 2.99Å
97	C	98	Very high	93.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.4	177.9	-62	0	0	0	0	110.7	I81 Q82 C83 L132 S331 G332	I81-C97 HydrophobicContact CG2-CB 3.79Å; Q82-C97 CarbonylContact O-C 3.49Å; Q82-C97 WeakPolarHBondContact O-CA 3.45Å; C83-C97 HydrophobicContact CB-CB 4.11Å; C83-C97 WeakPolarHBondContact CB-SG 3.32Å; C83-C97 WeakPolarHBondContact SG-CB 3.19Å; C83-C97 CovalentContact SG-SG 2.05Å; C83-C97 PolarHBondContact SG-SG 3.45Å; C97-L132 HydrophobicContact CB-CD2 4.16Å; C97-S331 CarbonylContact O-C 3.56Å; C97-S331 VanDerWaalsContact O-CA 3.3Å; C97-S331 WeakPolarHBondContact O-CA 3.47Å; C97-G332 PolarHBondContact N-O 2.87Å; C97-G332 PolarHBondContact O-N 3.32Å
98	K	97.8	Very high	93.6	Very high	77 Å²	77	46.9 Å²	46.9	34%	0.335	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.9	-179.3	-65.5	-175.5	-176	173.6	0	111.9	Q82 E96 T329 A330	Q82-K98 PolarHBondContact N-O 2.86Å; Q82-K98 VanDerWaalsContact N-O 3.07Å; Q82-K98 PolarHBondContact O-N 3.2Å; E96-K98 VanDerWaalsContact CD-NZ 3.34Å; E96-K98 HydrophobicContact CG-CG 4.43Å; E96-K98 WeakPolarHBondContact OE1-CE 3.08Å; E96-K98 IonicContact OE1-NZ 3.02Å; E96-K98 PolarHBondContact OE1-NZ 3.48Å; E96-K98 WeakPolarHBondContact OE2-CE 3.1Å; E96-K98 IonicContact OE2-NZ 3Å; E96-K98 PolarHBondContact OE2-NZ 3.3Å; K98-T329 HydrophobicContact CB-CG2 4.37Å; K98-A330 WeakPolarHBondContact CA-O 3.44Å
99	T	96.6	Very high	93.8	Very high	18 Å²	18	49.8 Å²	49.8	11%	0.11	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	163.4	167.2	-169.4	0	0	0	0	109.8	P78 V80 I81 L101 F107 T329 A330	P78-T99 HydrophobicContact CB-CG2 4.02Å; P78-T99 HydrophobicContact CG-CG2 4.41Å; V80-T99 PolarHBondContact O-OG1 2.85Å; V80-T99 VanDerWaalsContact O-OG1 3.05Å; I81-T99 HydrophobicContact CG1-CG2 4.24Å; T99-L101 HydrophobicContact CG2-CD1 4.32Å; T99-L101 HydrophobicContact CG2-CD2 3.58Å; T99-L101 HydrophobicContact CG2-CG 3.65Å; T99-F107 HydrophobicContact CG2-CE1 4.42Å; T99-F107 HydrophobicContact CG2-CE2 3.65Å; T99-F107 HydrophobicContact CG2-CZ 3.34Å; T99-T329 WeakPolarHBondContact O-CA 3.4Å; T99-A330 PolarHBondContact N-O 2.93Å; T99-A330 VanDerWaalsContact N-O 3.14Å; T99-A330 PolarHBondContact O-N 2.81Å
100	D	94.7	Very high	94.2	Very high	87 Å²	87	45.7 Å²	45.7	47%	0.465	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	126.5	166.9	-60.1	-42.2	0	0	0	109.7	R328 T329	D100-R328 WeakPolarHBondContact CA-O 3.47Å; D100-T329 WeakPolarHBondContact OD1-CA 2.69Å; D100-T329 PolarHBondContact OD1-OG1 2.86Å
101	L	93.2	Very high	94.7	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.2	175.4	-63.6	-178.3	0	0	0	109.3	Y76 P78 T99 F107 L136 T327 R328 A330	Y76-L101 HydrophobicContact CD1-CD2 3.74Å; Y76-L101 HydrophobicContact CE1-CD2 3.42Å; Y76-L101 VanDerWaalsContact CE1-CD2 3.42Å; P78-L101 HydrophobicContact CB-CD2 4.29Å; P78-L101 HydrophobicContact CG-CD2 4.39Å; T99-L101 HydrophobicContact CG2-CD1 4.32Å; T99-L101 HydrophobicContact CG2-CD2 3.58Å; T99-L101 HydrophobicContact CG2-CG 3.65Å; L101-F107 HydrophobicContact CD1-CD2 4.4Å; L101-F107 HydrophobicContact CD1-CE1 4.42Å; L101-F107 HydrophobicContact CD1-CE2 4.31Å; L101-F107 HydrophobicContact CD1-CZ 4.33Å; L101-L136 HydrophobicContact CD1-CD1 4.12Å; L101-T327 CarbonylContact O-C 3.54Å; L101-T327 WeakPolarHBondContact O-CA 3.4Å; L101-R328 PolarHBondContact N-O 3.47Å; L101-R328 PolarHBondContact O-N 3.05Å; L101-R328 VanDerWaalsContact O-O 3.1Å; L101-A330 HydrophobicContact CB-CB 4.23Å; L101-A330 HydrophobicContact CD1-CB 3.63Å; L101-A330 HydrophobicContact CG-CB 3.95Å
102	D	92.8	Very high	95.4	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.107	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	145.6	166.1	-169.6	-77.4	0	0	0	110.1	A104 Y105 T325	D102-A104 PolarHBondContact O-N 2.81Å; D102-A104 VanDerWaalsContact OD1-CB 3.23Å; D102-A104 WeakPolarHBondContact OD1-CB 3.44Å; D102-A104 PolarHBondContact OD1-N 2.05Å; D102-Y105 HydrophobicContact CB-CD2 3.77Å; D102-Y105 HydrophobicContact CB-CE2 4.05Å; D102-Y105 PolarHBondContact O-N 2.85Å; D102-T325 WeakPolarHBondContact OD2-CA 3.38Å; D102-T325 WeakPolarHBondContact OD2-CB 3.14Å; D102-T325 WeakPolarHBondContact OD2-CG2 3.48Å
103	I	92.9	Very high	95.7	Very high	31 Å²	31	33.8 Å²	33.8	16%	0.159	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-23.9	176	56	165.4	0	0	0	113.8	Y105 T139 K326 R328	I103-Y105 PolarHBondContact O-N 2.75Å; I103-T139 VanDerWaalsContact O-CG2 3.26Å; I103-T139 WeakPolarHBondContact O-CG2 3.45Å; I103-T139 PolarHBondContact O-OG1 2.98Å; I103-K326 HydrophobicContact CD1-CB 4.07Å; I103-K326 HydrophobicContact CG1-CB 4.26Å; I103-K326 WeakPolarHBondContact CG1-O 3.39Å; I103-K326 HydrophobicContact CG2-CB 4.02Å; I103-K326 HydrophobicContact CG2-CD 4.29Å; I103-K326 HydrophobicContact CG2-CG 3.98Å; I103-K326 WeakPolarHBondContact CG2-O 3.48Å; I103-K326 PolarHBondContact N-O 3.4Å; I103-R328 HydrophobicContact CG2-CB 4.25Å; I103-R328 HydrophobicContact CG2-CG 4.15Å
104	A	93	Very high	95.8	Very high	9 Å²	9	33.7 Å²	33.7	7%	0.074	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.2	175.5	0	0	0	0	0	113.4	D102 Y138 T139	D102-A104 PolarHBondContact O-N 2.81Å; D102-A104 VanDerWaalsContact OD1-CB 3.23Å; D102-A104 WeakPolarHBondContact OD1-CB 3.44Å; D102-A104 PolarHBondContact OD1-N 2.05Å; A104-Y138 CarbonylContact O-C 3.53Å; A104-Y138 WeakPolarHBondContact O-CA 3.47Å; A104-T139 WeakPolarHBondContact CA-OG1 3.44Å; A104-T139 PolarHBondContact O-N 2.81Å; A104-T139 PolarHBondContact O-OG1 2.82Å
105	Y	94.5	Very high	95.8	Very high	37 Å²	37	29 Å²	29	15%	0.145	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	156.5	-174	-52.9	-64.4	0	0	0	113.3	A71 Y76 D102 I103 L136 D137 Y138 T139 R328	A71-Y105 HydrophobicContact CB-CD1 3.77Å; A71-Y105 HydrophobicContact CB-CE1 3.77Å; Y76-Y105 HydrophobicContact CG-CD2 4.48Å; D102-Y105 HydrophobicContact CB-CD2 3.77Å; D102-Y105 HydrophobicContact CB-CE2 4.05Å; D102-Y105 PolarHBondContact O-N 2.85Å; I103-Y105 PolarHBondContact O-N 2.75Å; Y105-L136 HydrophobicContact CD1-CD2 4.12Å; Y105-L136 HydrophobicContact CD1-CG 4.29Å; Y105-L136 HydrophobicContact CG-CD1 4.49Å; Y105-L136 HydrophobicContact CG-CD2 4.28Å; Y105-L136 HydrophobicContact CG-CG 4.42Å; Y105-D137 CarbonylContact C-O 3.49Å; Y105-D137 WeakPolarHBondContact CA-O 3.27Å; Y105-Y138 AromaticContact CD1-CD1 3.94Å; Y105-Y138 HydrophobicContact CD1-CD1 3.94Å; Y105-Y138 AromaticContact CD1-CE1 3.96Å; Y105-Y138 HydrophobicContact CD1-CE1 3.96Å; Y105-Y138 AromaticContact CE1-CD1 3.75Å; Y105-Y138 HydrophobicContact CE1-CD1 3.75Å; Y105-Y138 AromaticContact CE1-CE1 3.27Å; Y105-Y138 HydrophobicContact CE1-CE1 3.27Å; Y105-Y138 AromaticContact CE1-CZ 3.99Å; Y105-T139 WeakPolarHBondContact O-CG2 3.28Å; Y105-R328 PolarHBondContact O-NH2 3.33Å
106	K	95.6	Very high	95.7	Very high	91 Å²	91	29 Å²	29	40%	0.396	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.9	170.6	62.8	-179.8	-179.7	-179.5	0	109.9	D137 Y138 T139	K106-D137 HydrophobicContact CG-CB 3.95Å; K106-D137 PolarHBondContact N-O 2.94Å; K106-D137 PolarHBondContact O-N 2.93Å; K106-Y138 WeakPolarHBondContact CE-O 3.32Å; K106-T139 HydrophobicContact CB-CG2 3.99Å; K106-T139 HydrophobicContact CD-CG2 4.31Å; K106-T139 HydrophobicContact CG-CG2 4.17Å
107	F	96.8	Very high	95.5	Very high	19 Å²	19	28.8 Å²	28.8	8%	0.083	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.1	167	-71.1	-58.6	0	0	0	110.2	I81 T99 L101 T110 Y134 A330	I81-F107 HydrophobicContact CD1-CE1 3.9Å; I81-F107 HydrophobicContact CD1-CZ 3.68Å; I81-F107 HydrophobicContact CG1-CZ 4.35Å; T99-F107 HydrophobicContact CG2-CE1 4.42Å; T99-F107 HydrophobicContact CG2-CE2 3.65Å; T99-F107 HydrophobicContact CG2-CZ 3.34Å; L101-F107 HydrophobicContact CD1-CD2 4.4Å; L101-F107 HydrophobicContact CD1-CE1 4.42Å; L101-F107 HydrophobicContact CD1-CE2 4.31Å; L101-F107 HydrophobicContact CD1-CZ 4.33Å; F107-T110 HydrophobicContact CB-CG2 3.98Å; F107-T110 HydrophobicContact CD1-CG2 4.15Å; F107-T110 HydrophobicContact CG-CG2 4.18Å; F107-Y134 HydrophobicContact CD1-CD2 4.2Å; F107-Y134 HydrophobicContact CD1-CG 4.41Å; F107-Y134 HydrophobicContact CE1-CD2 4.03Å; F107-Y134 HydrophobicContact CE1-CG 4.14Å; F107-A330 HydrophobicContact CD2-CB 4.21Å; F107-A330 HydrophobicContact CE2-CB 4.4Å
108	G	95.1	Very high	95.3	Very high	22 Å²	22	33.9 Å²	33.9	23%	0.227	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-132	164.3	0	0	0	0	0	110.4	T110 N135 D137	G108-T110 PolarHBondContact O-N 3.3Å; G108-N135 PolarHBondContact N-O 3.49Å; G108-D137 WeakPolarHBondContact CA-OD2 3.45Å
109	K	95.2	Very high	95	Very high	153 Å²	153	32.4 Å²	32.4	67%	0.665	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	131.7	171.5	-171	177.2	-179.2	179.9	0	110.4	V111 N135	K109-V111 HydrophobicContact CG-CG2 4.42Å; K109-N135 PolarHBondContact O-N 3.26Å
110	T	96.8	Very high	94.8	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141	174.7	60.3	0	0	0	0	110.4	F107 G108 E133 Y333 G334	F107-T110 HydrophobicContact CB-CG2 3.98Å; F107-T110 HydrophobicContact CD1-CG2 4.15Å; F107-T110 HydrophobicContact CG-CG2 4.18Å; G108-T110 PolarHBondContact O-N 3.3Å; T110-E133 CarbonylContact C-O 3.51Å; T110-E133 WeakPolarHBondContact CA-O 3.28Å; T110-Y333 VanDerWaalsContact OG1-C 3.27Å; T110-Y333 PolarHBondContact OG1-O 3.37Å; T110-G334 VanDerWaalsContact O-CA 3.23Å; T110-G334 WeakPolarHBondContact O-CA 3.36Å
111	V	97.1	Very high	94.5	Very high	28 Å²	28	37.6 Å²	37.6	17%	0.17	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	124.1	-179.2	-177.9	0	0	0	0	109.2	K109 E133 R337	K109-V111 HydrophobicContact CG-CG2 4.42Å; V111-E133 PolarHBondContact N-O 3.35Å; V111-E133 PolarHBondContact O-N 2.7Å; V111-R337 HydrophobicContact CG1-CB 3.64Å
112	V	97.3	Very high	94.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128	171	174.7	0	0	0	0	108.2	L45 W95 C130 G131 L132 G335 T336 R337	L45-V112 HydrophobicContact CD1-CG1 3.62Å; W95-V112 HydrophobicContact CB-CG2 3.93Å; W95-V112 HydrophobicContact CD2-CG2 4.1Å; W95-V112 HydrophobicContact CG-CB 4.15Å; W95-V112 HydrophobicContact CG-CG2 3.6Å; V112-C130 HydrophobicContact CG1-CB 4.46Å; V112-G131 CarbonylContact C-O 3.55Å; V112-G131 WeakPolarHBondContact CA-O 3.44Å; V112-L132 HydrophobicContact CG2-CD1 3.93Å; V112-G335 PolarHBondContact N-O 3.08Å; V112-G335 VanDerWaalsContact N-O 3.12Å; V112-T336 CarbonylContact O-C 3.53Å; V112-T336 VanDerWaalsContact O-CA 3.25Å; V112-T336 WeakPolarHBondContact O-CA 3.43Å; V112-R337 PolarHBondContact O-N 3.02Å
113	S	96.3	Very high	94.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.6	177.7	-168.1	0	0	0	0	112.1	C130 G131 R337	S113-C130 CarbonylContact O-C 3.54Å; S113-C130 VanDerWaalsContact O-CA 3.28Å; S113-C130 WeakPolarHBondContact O-CA 3.38Å; S113-G131 PolarHBondContact N-O 3.02Å; S113-G131 PolarHBondContact O-N 2.52Å; S113-R337 WeakPolarHBondContact CA-O 3.18Å; S113-R337 WeakPolarHBondContact CB-O 3.5Å; S113-R337 PolarHBondContact OG-O 3.33Å
114	C	96	Very high	94.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.9	179.1	-53.2	0	0	0	0	109.8	V125 C130 R337 R338 R339	C114-V125 HydrophobicContact CB-CB 4.14Å; C114-V125 HydrophobicContact CB-CG1 3.84Å; C114-C130 HydrophobicContact CB-CB 4.1Å; C114-C130 WeakPolarHBondContact CB-SG 3.35Å; C114-C130 WeakPolarHBondContact SG-CB 3.25Å; C114-C130 CovalentContact SG-SG 2.04Å; C114-C130 PolarHBondContact SG-SG 3.39Å; C114-R337 PolarHBondContact N-O 2.79Å; C114-R338 WeakPolarHBondContact O-CA 3.31Å; C114-R339 PolarHBondContact O-N 3.11Å; C114-R339 VanDerWaalsContact O-N 3.12Å
115	E	96.2	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.			trans	-77.1	124.4	172.3	-174.5	-179.5	145.7	0	0	109.6	S55 R56 R57 L58 V125 L126 S129 R339	S55-E115 WeakPolarHBondContact CA-OE2 3.48Å; S55-E115 VanDerWaalsContact CB-OE2 3.3Å; S55-E115 WeakPolarHBondContact CB-OE2 2.99Å; S55-E115 PolarHBondContact OG-OE2 2.92Å; R56-E115 PolarHBondContact N-OE1 2.89Å; R56-E115 PolarHBondContact N-OE2 3.26Å; R57-E115 WeakPolarHBondContact CB-OE1 3.06Å; R57-E115 PolarHBondContact N-OE1 3.38Å; L58-E115 HydrophobicContact CD1-CG 4.29Å; E115-V125 VanDerWaalsContact O-CA 3.27Å; E115-V125 WeakPolarHBondContact O-CA 3.47Å; E115-V125 WeakPolarHBondContact O-CB 3.25Å; E115-L126 PolarHBondContact O-N 3.05Å; E115-S129 PolarHBondContact N-OG 3.38Å; E115-S129 PolarHBondContact O-OG 2.76Å; E115-R339 HydrophobicContact CB-CG 4.39Å
116	G	95.5	Very high	94.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-66	142	173.3	0	0	0	0	0	110.6	S119 R339	G116-S119 VanDerWaalsContact CA-O 3.29Å; G116-S119 WeakPolarHBondContact CA-O 3.35Å; G116-R339 PolarHBondContact N-O 3.43Å
117	Y	94.6	Very high	94.6	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.02	23%	0.229	C	C	.	.	S	Bend	trans	-62.3	-60.2	-171.4	-167.7	-107	0	0	0	109.6	D33 P34 R36 R56 R57 Y124 L126	D33-Y117 HydrophobicContact CB-CE1 3.85Å; D33-Y117 WeakPolarHBondContact CB-OH 3.23Å; P34-Y117 WeakPolarHBondContact O-CE2 3.08Å; P34-Y117 PolarHBondContact O-OH 3.41Å; R36-Y117 HydrophobicContact CB-CD1 4.09Å; R36-Y117 HydrophobicContact CB-CD2 3.86Å; R36-Y117 HydrophobicContact CB-CE1 3.88Å; R36-Y117 HydrophobicContact CB-CE2 3.64Å; R36-Y117 HydrophobicContact CB-CG 4.1Å; R36-Y117 HydrophobicContact CG-CD1 3.7Å; R36-Y117 HydrophobicContact CG-CD2 4.04Å; R36-Y117 HydrophobicContact CG-CE1 3.93Å; R36-Y117 HydrophobicContact CG-CE2 4.26Å; R36-Y117 HydrophobicContact CG-CG 3.77Å; R56-Y117 PolarHBondContact NH1-OH 3.28Å; R56-Y117 VanDerWaalsContact NH1-OH 3.11Å; R56-Y117 PolarHBondContact NH2-O 2.82Å; R57-Y117 WeakPolarHBondContact CD-O 3.32Å; Y117-Y124 PolarHBondContact N-O 2.81Å; Y117-L126 HydrophobicContact CD2-CB 4.42Å; Y117-L126 HydrophobicContact CD2-CD1 4.13Å; Y117-L126 HydrophobicContact CE2-CD1 4.02Å
118	E	92.7	Very high	94.6	Very high	107 Å²	107	48 Å²	48	50%	0.5	24%	0.243	S	C	.	.	S	Bend	trans	-92.1	-37.5	178	-71.2	169.4	-142.9	0	0	113.5	R36 R57 D122	R36-E118 IonicContact CZ-OE1 3.35Å; R36-E118 IonicContact NH1-OE1 2.9Å; R36-E118 PolarHBondContact NH1-OE1 3.15Å; R36-E118 IonicContact NH2-OE1 3.06Å; R36-E118 PolarHBondContact NH2-OE1 3.4Å; R57-E118 WeakPolarHBondContact CD-O 3.44Å; R57-E118 VanDerWaalsContact CZ-O 3.24Å; R57-E118 PolarHBondContact NE-O 2.87Å; R57-E118 PolarHBondContact NH1-O 3.09Å; E118-D122 PolarHBondContact N-OD2 2.77Å
119	S	92.6	Very high	94.7	Very high	46 Å²	46	47 Å²	47	32%	0.322	23%	0.232	S	C	.	.	S	Bend	trans	-153.1	169	-178	79.7	0	0	0	0	111.3	G116 E121 D122	G116-S119 VanDerWaalsContact CA-O 3.29Å; G116-S119 WeakPolarHBondContact CA-O 3.35Å; S119-E121 PolarHBondContact O-N 2.92Å; S119-E121 VanDerWaalsContact O-N 3.16Å; S119-E121 PolarHBondContact OG-N 3.38Å; S119-D122 WeakPolarHBondContact O-CB 3.49Å; S119-D122 PolarHBondContact O-N 3.39Å
120	S	92	Very high	94.8	Very high	54 Å²	54	39.9 Å²	39.9	38%	0.378	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.8	176.4	55.1	0	0	0	0	114	R338	S120-R338 WeakPolarHBondContact O-CB 3.45Å; S120-R338 WeakPolarHBondContact O-CD 3.35Å
121	E	89.1	Confident	94.8	Very high	160 Å²	160	39.8 Å²	39.8	75%	0.748	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-7.6	-179.3	-64.6	-179.4	-177.6	0	0	112.8	S119 R338	S119-E121 PolarHBondContact O-N 2.92Å; S119-E121 VanDerWaalsContact O-N 3.16Å; S119-E121 PolarHBondContact OG-N 3.38Å; E121-R338 PolarHBondContact O-NH1 3.01Å
122	D	89.3	Confident	94.9	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.134	19%	0.194	C	C	.	.			trans	-63.6	145	-175.2	-163.5	-8.2	0	0	0	112.2	R36 E118 S119 Y124 R338	R36-D122 IonicContact NH2-OD2 3.64Å; E118-D122 PolarHBondContact N-OD2 2.77Å; S119-D122 WeakPolarHBondContact O-CB 3.49Å; S119-D122 PolarHBondContact O-N 3.39Å; D122-Y124 VanDerWaalsContact C-N 3.29Å; D122-Y124 WeakPolarHBondContact OD1-CD2 3.41Å; D122-Y124 PolarHBondContact OD1-N 3.19Å; D122-R338 VanDerWaalsContact O-CD 3.25Å; D122-R338 WeakPolarHBondContact O-CD 3.49Å; D122-R338 PolarHBondContact O-NH1 3Å
123	Q	92.4	Very high	94.9	Very high	123 Å²	123	40.5 Å²	40.5	58%	0.575	20%	0.203	S	C	*	.	S	Bend	trans	-77.3	-23.5	170.8	-62.2	-178.1	-9.9	0	0	111.3	L38 L39	L38-Q123 HydrophobicContact CD1-CB 3.84Å; L39-Q123 WeakPolarHBondContact CB-O 3.42Å; L39-Q123 PolarHBondContact N-O 2.86Å
124	Y	94.1	Very high	94.9	Very high	65 Å²	65	40.7 Å²	40.7	26%	0.255	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.2	174	-62.6	-89.6	0	0	0	110.8	R36 M37 L38 Y117 D122	R36-Y124 HydrophobicContact CG-CD1 3.78Å; R36-Y124 HydrophobicContact CG-CG 4.01Å; R36-Y124 VanDerWaalsContact NE-CG 3.32Å; M37-Y124 CarbonylContact O-C 3.47Å; M37-Y124 VanDerWaalsContact O-CA 3.3Å; M37-Y124 WeakPolarHBondContact O-CA 3.42Å; L38-Y124 HydrophobicContact CB-CD1 4.15Å; L38-Y124 HydrophobicContact CB-CE1 4Å; L38-Y124 HydrophobicContact CD1-CD1 4.21Å; L38-Y124 HydrophobicContact CD1-CD2 4.5Å; L38-Y124 HydrophobicContact CD1-CE1 4Å; L38-Y124 HydrophobicContact CD1-CE2 4.3Å; L38-Y124 HydrophobicContact CD1-CG 4.46Å; Y117-Y124 PolarHBondContact N-O 2.81Å; D122-Y124 VanDerWaalsContact C-N 3.29Å; D122-Y124 WeakPolarHBondContact OD1-CD2 3.41Å; D122-Y124 PolarHBondContact OD1-N 3.19Å
125	V	95.8	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	156.2	178.9	-66.3	0	0	0	0	110.1	M37 L39 C114 E115	M37-V125 HydrophobicContact CE-CG2 3.65Å; M37-V125 HydrophobicContact CG-CG2 3.84Å; M37-V125 WeakPolarHBondContact CG-O 3.41Å; M37-V125 PolarHBondContact N-O 3.14Å; M37-V125 PolarHBondContact O-N 2.86Å; L39-V125 HydrophobicContact CB-CG1 4.04Å; L39-V125 HydrophobicContact CB-CG2 4.14Å; L39-V125 HydrophobicContact CD1-CG1 4.32Å; L39-V125 HydrophobicContact CD1-CG2 4.26Å; C114-V125 HydrophobicContact CB-CB 4.14Å; C114-V125 HydrophobicContact CB-CG1 3.84Å; E115-V125 VanDerWaalsContact O-CA 3.27Å; E115-V125 WeakPolarHBondContact O-CA 3.47Å; E115-V125 WeakPolarHBondContact O-CB 3.25Å
126	L	96.4	Very high	94.9	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.073	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	132.4	174.8	-178.2	70.8	0	0	0	110.8	D35 R56 E115 Y117 G128 S129	D35-L126 HydrophobicContact CB-CD1 4Å; R56-L126 HydrophobicContact CB-CD2 3.87Å; E115-L126 PolarHBondContact O-N 3.05Å; Y117-L126 HydrophobicContact CD2-CB 4.42Å; Y117-L126 HydrophobicContact CD2-CD1 4.13Å; Y117-L126 HydrophobicContact CE2-CD1 4.02Å; L126-G128 PolarHBondContact O-N 2.91Å; L126-S129 VanDerWaalsContact O-CB 3.28Å; L126-S129 WeakPolarHBondContact O-CB 3.39Å; L126-S129 PolarHBondContact O-N 3.39Å; L126-S129 VanDerWaalsContact O-N 3.13Å; L126-S129 PolarHBondContact O-OG 3.33Å
127	R	96.3	Very high	95	Very high	163 Å²	163	44.1 Å²	44.1	62%	0.615	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	126.9	176.5	-173	-171.7	175.2	-170.8	-0.4	111	D35 M37 T54 S129	D35-R127 HydrophobicContact CB-CB 3.78Å; D35-R127 WeakPolarHBondContact O-CB 3.3Å; D35-R127 PolarHBondContact O-N 3.02Å; D35-R127 WeakPolarHBondContact OD1-CD 3.28Å; D35-R127 IonicContact OD1-NH1 3.75Å; M37-R127 HydrophobicContact SD-CB 4.16Å; M37-R127 HydrophobicContact SD-CG 4.24Å; T54-R127 PolarHBondContact OG1-O 2.99Å; R127-S129 VanDerWaalsContact C-N 3.31Å
128	G	96.1	Very high	95	Very high	36 Å²	36	45.8 Å²	45.8	37%	0.371	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	5	178.9	0	0	0	0	0	114.7	T53 T54 L126	T53-G128 WeakPolarHBondContact CA-O 3.49Å; T54-G128 PolarHBondContact N-O 2.86Å; T54-G128 WeakPolarHBondContact OG1-CA 3.17Å; T54-G128 PolarHBondContact OG1-O 3.4Å; L126-G128 PolarHBondContact O-N 2.91Å
129	S	97.2	Very high	95	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.			trans	-87.6	-7.1	-176.7	76.3	0	0	0	0	114.3	T53 T54 E115 L126 R127 R339	T53-S129 WeakPolarHBondContact CG2-O 3.4Å; T54-S129 WeakPolarHBondContact O-CA 3.26Å; T54-S129 WeakPolarHBondContact O-CB 3.43Å; T54-S129 PolarHBondContact OG1-N 2.83Å; T54-S129 VanDerWaalsContact OG1-N 3.1Å; E115-S129 PolarHBondContact N-OG 3.38Å; E115-S129 PolarHBondContact O-OG 2.76Å; L126-S129 VanDerWaalsContact O-CB 3.28Å; L126-S129 WeakPolarHBondContact O-CB 3.39Å; L126-S129 PolarHBondContact O-N 3.39Å; L126-S129 VanDerWaalsContact O-N 3.13Å; L126-S129 PolarHBondContact O-OG 3.33Å; R127-S129 VanDerWaalsContact C-N 3.31Å; S129-R339 PolarHBondContact O-NH2 3.41Å
130	C	97.1	Very high	95	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.034	23%	0.229	C	C	.	.			trans	-76.9	131.2	-179.2	-61.1	0	0	0	0	112	L45 L47 V112 S113 C114	L45-C130 HydrophobicContact CD1-CB 3.84Å; L45-C130 HydrophobicContact CD2-CB 3.98Å; L47-C130 VanDerWaalsContact CD2-O 3.27Å; L47-C130 WeakPolarHBondContact CD2-O 3.49Å; V112-C130 HydrophobicContact CG1-CB 4.46Å; S113-C130 CarbonylContact O-C 3.54Å; S113-C130 VanDerWaalsContact O-CA 3.28Å; S113-C130 WeakPolarHBondContact O-CA 3.38Å; C114-C130 HydrophobicContact CB-CB 4.1Å; C114-C130 WeakPolarHBondContact CB-SG 3.35Å; C114-C130 WeakPolarHBondContact SG-CB 3.25Å; C114-C130 CovalentContact SG-SG 2.04Å; C114-C130 PolarHBondContact SG-SG 3.39Å
131	G	97.6	Very high	95	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	170.7	168.6	0	0	0	0	0	111.5	Q63 V112 S113	Q63-G131 CarbonylContact O-C 3.56Å; Q63-G131 WeakPolarHBondContact O-CA 3.44Å; V112-G131 CarbonylContact C-O 3.55Å; V112-G131 WeakPolarHBondContact CA-O 3.44Å; S113-G131 PolarHBondContact N-O 3.02Å; S113-G131 PolarHBondContact O-N 2.52Å
132	L	98	Very high	95	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.3	178.8	175.4	70.5	0	0	0	110	L47 Q63 L64 K65 I81 C97 V112	L47-L132 HydrophobicContact CD1-CB 3.39Å; Q63-L132 PolarHBondContact O-N 3Å; L64-L132 HydrophobicContact CD2-CB 3.93Å; L64-L132 HydrophobicContact CD2-CD2 4.11Å; K65-L132 PolarHBondContact N-O 3.3Å; I81-L132 HydrophobicContact CB-CD2 4.18Å; I81-L132 HydrophobicContact CD1-CD2 3.68Å; I81-L132 HydrophobicContact CG2-CD2 3.72Å; C97-L132 HydrophobicContact CB-CD2 4.16Å; V112-L132 HydrophobicContact CG2-CD1 3.93Å
133	E	97.2	Very high	95.1	Very high	42 Å²	42	44.3 Å²	44.3	20%	0.196	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.1	165.6	-70	176.7	-174	0	0	109.1	K65 V67 T110 V111 R337	K65-E133 HydrophobicContact CB-CG 4.36Å; K65-E133 VanDerWaalsContact O-CA 3.29Å; K65-E133 WeakPolarHBondContact O-CA 3.37Å; V67-E133 HydrophobicContact CG1-CB 4Å; V67-E133 HydrophobicContact CG1-CG 3.93Å; V67-E133 HydrophobicContact CG2-CB 4.35Å; T110-E133 CarbonylContact C-O 3.51Å; T110-E133 WeakPolarHBondContact CA-O 3.28Å; V111-E133 PolarHBondContact N-O 3.35Å; V111-E133 PolarHBondContact O-N 2.7Å; E133-R337 IonicContact OE1-CZ 2.82Å; E133-R337 IonicContact OE1-NH1 2.77Å; E133-R337 IonicContact OE1-NH2 3.79Å; E133-R337 PolarHBondContact OE1-NH2 2.99Å; E133-R337 IonicContact OE2-CZ 2.75Å; E133-R337 IonicContact OE2-NH1 2.7Å; E133-R337 PolarHBondContact OE2-NH1 3.11Å; E133-R337 IonicContact OE2-NH2 3.7Å; E133-R337 PolarHBondContact OE2-NH2 3.46Å; E133-R337 VanDerWaalsContact OE2-NH2 3.12Å
134	Y	97.2	Very high	94.9	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.8	-179.7	68.5	-87.9	0	0	0	112.2	L64 K65 C66 V67 P78 I81 F107 L136	L64-Y134 HydrophobicContact CB-CE1 4.42Å; K65-Y134 WeakPolarHBondContact O-CD1 3.41Å; K65-Y134 PolarHBondContact O-N 2.97Å; C66-Y134 WeakPolarHBondContact CA-O 3.26Å; C66-Y134 HydrophobicContact CB-CD2 4.48Å; C66-Y134 HydrophobicContact CB-CE1 4.23Å; C66-Y134 HydrophobicContact CB-CE2 3.78Å; V67-Y134 PolarHBondContact N-O 3.06Å; P78-Y134 WeakPolarHBondContact CD-OH 3.11Å; I81-Y134 HydrophobicContact CD1-CD1 4.29Å; I81-Y134 HydrophobicContact CD1-CE1 4.43Å; F107-Y134 HydrophobicContact CD1-CD2 4.2Å; F107-Y134 HydrophobicContact CD1-CG 4.41Å; F107-Y134 HydrophobicContact CE1-CD2 4.03Å; F107-Y134 HydrophobicContact CE1-CG 4.14Å; Y134-L136 HydrophobicContact CE2-CB 4.46Å
135	N	96.4	Very high	94.6	Very high	39 Å²	39	44.7 Å²	44.7	21%	0.209	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.5	164	-74.3	-11.9	0	0	0	110	V67 G68 G108 K109	V67-N135 WeakPolarHBondContact CG2-OD1 3.36Å; G68-N135 PolarHBondContact N-OD1 3.25Å; G68-N135 CarbonylContact O-C 3.24Å; G68-N135 VanDerWaalsContact O-CA 3.26Å; G68-N135 WeakPolarHBondContact O-CA 3.41Å; G108-N135 PolarHBondContact N-O 3.49Å; K109-N135 PolarHBondContact O-N 3.26Å
136	L	96.2	Very high	94	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.3	174.8	-165.7	72.5	0	0	0	109.9	G68 G69 T70 A71 Y76 L101 Y105 Y134	G68-L136 PolarHBondContact O-N 3.45Å; G69-L136 CarbonylContact C-O 3.52Å; G69-L136 VanDerWaalsContact C-O 3.24Å; G69-L136 VanDerWaalsContact CA-O 3.26Å; G69-L136 WeakPolarHBondContact CA-O 3.48Å; T70-L136 PolarHBondContact N-O 2.98Å; A71-L136 HydrophobicContact CB-CB 4.46Å; A71-L136 HydrophobicContact CB-CD2 4.2Å; A71-L136 HydrophobicContact CB-CG 4.15Å; A71-L136 WeakPolarHBondContact CB-O 3.41Å; A71-L136 PolarHBondContact N-O 2.66Å; Y76-L136 WeakPolarHBondContact O-CD2 3.3Å; L101-L136 HydrophobicContact CD1-CD1 4.12Å; Y105-L136 HydrophobicContact CD1-CD2 4.12Å; Y105-L136 HydrophobicContact CD1-CG 4.29Å; Y105-L136 HydrophobicContact CG-CD1 4.49Å; Y105-L136 HydrophobicContact CG-CD2 4.28Å; Y105-L136 HydrophobicContact CG-CG 4.42Å; Y134-L136 HydrophobicContact CE2-CB 4.46Å
137	D	95.7	Very high	93.4	Very high	34 Å²	34	54.8 Å²	54.8	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	150.7	-179.2	-73.2	-41.1	0	0	0	111.7	G69 T70 Y105 K106 G108	G69-D137 WeakPolarHBondContact CA-OD1 3.38Å; T70-D137 PolarHBondContact N-OD1 3.02Å; T70-D137 WeakPolarHBondContact OG1-CA 3.09Å; T70-D137 WeakPolarHBondContact OG1-CB 3.25Å; T70-D137 PolarHBondContact OG1-OD1 3.05Å; Y105-D137 CarbonylContact C-O 3.49Å; Y105-D137 WeakPolarHBondContact CA-O 3.27Å; K106-D137 HydrophobicContact CG-CB 3.95Å; K106-D137 PolarHBondContact N-O 2.94Å; K106-D137 PolarHBondContact O-N 2.93Å; G108-D137 WeakPolarHBondContact CA-OD2 3.45Å
138	Y	94.6	Very high	92.5	Very high	39 Å²	39	52.7 Å²	52.7	15%	0.153	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	143.3	167.8	-74	-68.1	0	0	0	111	T70 A71 A104 Y105 K106 L143 L146	T70-Y138 WeakPolarHBondContact O-CE2 3.16Å; T70-Y138 PolarHBondContact OG1-N 2.8Å; A71-Y138 HydrophobicContact CB-CD1 4.28Å; A71-Y138 HydrophobicContact CB-CD2 3.9Å; A71-Y138 HydrophobicContact CB-CE1 4.13Å; A71-Y138 HydrophobicContact CB-CE2 3.74Å; A71-Y138 HydrophobicContact CB-CG 4.15Å; A104-Y138 CarbonylContact O-C 3.53Å; A104-Y138 WeakPolarHBondContact O-CA 3.47Å; Y105-Y138 AromaticContact CD1-CD1 3.94Å; Y105-Y138 HydrophobicContact CD1-CD1 3.94Å; Y105-Y138 AromaticContact CD1-CE1 3.96Å; Y105-Y138 HydrophobicContact CD1-CE1 3.96Å; Y105-Y138 AromaticContact CE1-CD1 3.75Å; Y105-Y138 HydrophobicContact CE1-CD1 3.75Å; Y105-Y138 AromaticContact CE1-CE1 3.27Å; Y105-Y138 HydrophobicContact CE1-CE1 3.27Å; Y105-Y138 AromaticContact CE1-CZ 3.99Å; K106-Y138 WeakPolarHBondContact CE-O 3.32Å; Y138-L143 HydrophobicContact CD2-CD2 3.88Å; Y138-L143 HydrophobicContact CG-CD2 3.96Å; Y138-L143 HydrophobicContact CG-CG 4.43Å; Y138-L146 HydrophobicContact CD1-CD1 4.19Å; Y138-L146 HydrophobicContact CD2-CD1 3.96Å; Y138-L146 HydrophobicContact CE1-CD1 3.58Å; Y138-L146 HydrophobicContact CE2-CD1 3.3Å; Y138-L146 HydrophobicContact CG-CD1 4.38Å; Y138-L146 WeakPolarHBondContact OH-CD1 3.46Å
139	T	94.3	Very high	91.2	Very high	17 Å²	17	54.4 Å²	54.4	10%	0.104	27%	0.27	C	S	.	.			trans	-77.3	167.5	161.3	63.8	0	0	0	0	109.8	I103 A104 Y105 K106 L141 G142 L143	I103-T139 VanDerWaalsContact O-CG2 3.26Å; I103-T139 WeakPolarHBondContact O-CG2 3.45Å; I103-T139 PolarHBondContact O-OG1 2.98Å; A104-T139 WeakPolarHBondContact CA-OG1 3.44Å; A104-T139 PolarHBondContact O-N 2.81Å; A104-T139 PolarHBondContact O-OG1 2.82Å; Y105-T139 WeakPolarHBondContact O-CG2 3.28Å; K106-T139 HydrophobicContact CB-CG2 3.99Å; K106-T139 HydrophobicContact CD-CG2 4.31Å; K106-T139 HydrophobicContact CG-CG2 4.17Å; T139-L141 PolarHBondContact O-N 3.36Å; T139-G142 WeakPolarHBondContact O-CA 3.22Å; T139-G142 PolarHBondContact O-N 3.1Å; T139-G142 PolarHBondContact OG1-N 3.28Å; T139-G142 VanDerWaalsContact OG1-N 3.12Å; T139-L143 PolarHBondContact O-N 3.26Å
140	E	92.4	Very high	89.5	Confident	156 Å²	156	56.4 Å²	56.4	73%	0.729	29%	0.29	S	S	*	.	H	α-helix	trans	-55.8	-38.8	173.3	-65.5	172.7	-169.3	0	0	111.5	L143 Q144	E140-L143 PolarHBondContact O-N 2.83Å; E140-Q144 VanDerWaalsContact O-CG 3.28Å; E140-Q144 WeakPolarHBondContact O-CG 3.45Å; E140-Q144 PolarHBondContact O-N 3.12Å
141	L	90.6	Very high	87.5	Confident	93 Å²	93	63.5 Å²	63.5	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-41	174.5	-61.4	177.2	0	0	0	112	T139 Q144 K145	T139-L141 PolarHBondContact O-N 3.36Å; L141-Q144 PolarHBondContact O-N 3.13Å; L141-K145 WeakPolarHBondContact O-CG 3.3Å; L141-K145 PolarHBondContact O-N 2.82Å
142	G	90.2	Very high	85.4	Confident	2 Å²	2	71.4 Å²	71.4	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-45.4	175.4	0	0	0	0	0	112.2	T139 K145 L146	T139-G142 WeakPolarHBondContact O-CA 3.22Å; T139-G142 PolarHBondContact O-N 3.1Å; T139-G142 PolarHBondContact OG1-N 3.28Å; T139-G142 VanDerWaalsContact OG1-N 3.12Å; G142-K145 PolarHBondContact O-N 2.97Å; G142-L146 PolarHBondContact O-N 3.43Å
143	L	90.9	Very high	82.8	Confident	94 Å²	94	78.4 Å²	78.4	49%	0.492	39%	0.389	S	S	.	.	H	α-helix	trans	-64.3	-40.6	176.9	-68.5	176.4	0	0	0	112.5	Y138 T139 E140 L146 K147	Y138-L143 HydrophobicContact CD2-CD2 3.88Å; Y138-L143 HydrophobicContact CG-CD2 3.96Å; Y138-L143 HydrophobicContact CG-CG 4.43Å; T139-L143 PolarHBondContact O-N 3.26Å; E140-L143 PolarHBondContact O-N 2.83Å; L143-L146 PolarHBondContact O-N 2.04Å; L143-K147 PolarHBondContact O-N 3.12Å
144	Q	89.4	Confident	80.2	Confident	107 Å²	107	80.3 Å²	80.3	50%	0.5	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-47.8	175.5	-75.2	173.7	7.6	0	0	111.4	E140 L141 L146 K147 E148	E140-Q144 VanDerWaalsContact O-CG 3.28Å; E140-Q144 WeakPolarHBondContact O-CG 3.45Å; E140-Q144 PolarHBondContact O-N 3.12Å; L141-Q144 PolarHBondContact O-N 3.13Å; Q144-L146 VanDerWaalsContact C-N 3.31Å; Q144-L146 PolarHBondContact O-N 2.75Å; Q144-K147 WeakPolarHBondContact O-CB 3.45Å; Q144-K147 PolarHBondContact O-N 2.92Å; Q144-E148 WeakPolarHBondContact O-CG 3.35Å; Q144-E148 PolarHBondContact O-N 3.23Å
145	K	85.9	Confident	77.6	Confident	88 Å²	88	88.2 Å²	88.2	38%	0.383	46%	0.455	S	S	.	.	H	α-helix	trans	-59.2	-41	175.9	-76	-175.3	176.5	-173.6	0	112.3	L141 G142 K147 E148 S149	L141-K145 WeakPolarHBondContact O-CG 3.3Å; L141-K145 PolarHBondContact O-N 2.82Å; G142-K145 PolarHBondContact O-N 2.97Å; K145-K147 VanDerWaalsContact C-N 3.35Å; K145-K147 PolarHBondContact O-N 2.95Å; K145-E148 PolarHBondContact O-N 3.1Å; K145-S149 WeakPolarHBondContact O-CB 3.49Å; K145-S149 PolarHBondContact O-N 2.84Å
146	L	84.4	Confident	75.2	Confident	86 Å²	86	90.3 Å²	90.3	45%	0.45	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-42.9	176.7	-123.5	156	0	0	0	111.8	Y138 G142 L143 Q144 S149 G150	Y138-L146 HydrophobicContact CD1-CD1 4.19Å; Y138-L146 HydrophobicContact CD2-CD1 3.96Å; Y138-L146 HydrophobicContact CE1-CD1 3.58Å; Y138-L146 HydrophobicContact CE2-CD1 3.3Å; Y138-L146 HydrophobicContact CG-CD1 4.38Å; Y138-L146 WeakPolarHBondContact OH-CD1 3.46Å; G142-L146 PolarHBondContact O-N 3.43Å; L143-L146 PolarHBondContact O-N 2.04Å; Q144-L146 VanDerWaalsContact C-N 3.31Å; Q144-L146 PolarHBondContact O-N 2.75Å; L146-S149 PolarHBondContact O-N 3.42Å; L146-G150 PolarHBondContact O-N 2.92Å
147	K	82.6	Confident	72.7	Confident	141 Å²	141	94.5 Å²	94.5	61%	0.613	51%	0.507	S	S	*	.	H	α-helix	trans	-66.4	-37.5	176.4	-173.3	175.8	-174.7	174.3	0	112.3	L143 Q144 K145 K151	L143-K147 PolarHBondContact O-N 3.12Å; Q144-K147 WeakPolarHBondContact O-CB 3.45Å; Q144-K147 PolarHBondContact O-N 2.92Å; K145-K147 VanDerWaalsContact C-N 3.35Å; K145-K147 PolarHBondContact O-N 2.95Å; K147-K151 VanDerWaalsContact O-CG 3.26Å; K147-K151 WeakPolarHBondContact O-CG 3.47Å; K147-K151 PolarHBondContact O-N 2.91Å
148	E	77.7	Confident	70.6	Confident	118 Å²	118	101.8 Å²	101.8	55%	0.551	54%	0.538	S	S	*	.	H	α-helix	trans	-70	-43.5	176.5	-72.5	172.6	-179.1	0	0	111.8	Q144 K145 G150 K151 Q152	Q144-E148 WeakPolarHBondContact O-CG 3.35Å; Q144-E148 PolarHBondContact O-N 3.23Å; K145-E148 PolarHBondContact O-N 3.1Å; E148-G150 VanDerWaalsContact C-N 3.33Å; E148-G150 PolarHBondContact O-N 3.25Å; E148-K151 WeakPolarHBondContact O-CB 3.34Å; E148-K151 PolarHBondContact O-N 3.33Å; E148-K151 VanDerWaalsContact O-N 3.12Å; E148-Q152 PolarHBondContact O-N 3.45Å
149	S	69.4	Low	68.4	Low	73 Å²	73	102.9 Å²	102.9	51%	0.51	55%	0.551	S	S	.	*	H	α-helix	trans	-62.4	-40.4	174.8	-170.9	0	0	0	0	111.9	K145 L146 K151 Q152 H153	K145-S149 WeakPolarHBondContact O-CB 3.49Å; K145-S149 PolarHBondContact O-N 2.84Å; L146-S149 PolarHBondContact O-N 3.42Å; S149-K151 PolarHBondContact O-N 3.11Å; S149-Q152 PolarHBondContact O-N 3.16Å; S149-H153 PolarHBondContact O-N 2.79Å
150	G	62.3	Low	66.1	Low	42 Å²	42	107.8 Å²	107.8	43%	0.433	58%	0.577	S	S	.	*	H	α-helix	trans	-71.3	-13.5	175.5	0	0	0	0	0	114.5	L146 E148	L146-G150 PolarHBondContact O-N 2.92Å; E148-G150 VanDerWaalsContact C-N 3.33Å; E148-G150 PolarHBondContact O-N 3.25Å
151	K	55.1	Low	64	Low	153 Å²	153	109.7 Å²	109.7	67%	0.665	58%	0.579	S	S	*	*	H	α-helix	trans	-87.4	-24.9	171.5	-76.8	171.3	177.6	-175.3	0	112.8	K147 E148 S149	K147-K151 VanDerWaalsContact O-CG 3.26Å; K147-K151 WeakPolarHBondContact O-CG 3.47Å; K147-K151 PolarHBondContact O-N 2.91Å; E148-K151 WeakPolarHBondContact O-CB 3.34Å; E148-K151 PolarHBondContact O-N 3.33Å; E148-K151 VanDerWaalsContact O-N 3.12Å; S149-K151 PolarHBondContact O-N 3.11Å
152	Q	52	Low	62	Low	168 Å²	168	113.2 Å²	113.2	79%	0.785	59%	0.587	S	S	*	*	H	α-helix	trans	-85.8	-33.6	179.5	-73	-170.6	-16.1	0	0	112.9	E148 S149	E148-Q152 PolarHBondContact O-N 3.45Å; S149-Q152 PolarHBondContact O-N 3.16Å
153	H	43.5	Very low	60	Low	150 Å²	150	121 Å²	121	69%	0.694	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	109	165.2	-81.9	-69.2	0	0	0	108.7	S149 F155	S149-H153 PolarHBondContact O-N 2.79Å; H153-F155 PolarHBondContact O-N 2.98Å
154	G	42.9	Very low	57.6	Low	82 Å²	82	124.1 Å²	124.1	85%	0.845	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	68.5	177.7	0	0	0	0	0	113.5
155	F	43.5	Very low	55.1	Low	170 Å²	170	128.2 Å²	128.2	75%	0.746	64%	0.637	S	S	*	*			trans	-130.5	97	166.3	-125.6	-92	0	0	0	106.3	H153 S157	H153-F155 PolarHBondContact O-N 2.98Å; F155-S157 VanDerWaalsContact C-N 3.33Å; F155-S157 PolarHBondContact O-N 2.97Å
156	A	45.5	Very low	53	Low	84 Å²	84	133.3 Å²	133.3	69%	0.694	66%	0.655	S	S	*	*			trans	-56	101.3	166.9	0	0	0	0	0	107.6	F158	A156-F158 PolarHBondContact O-N 3.29Å
157	S	43.9	Very low	51	Low	88 Å²	88	134 Å²	134	62%	0.615	67%	0.668	S	S	*	*			trans	-65.7	129.4	176.1	-168.8	0	0	0	0	108	F155 S159 D160	F155-S157 VanDerWaalsContact C-N 3.33Å; F155-S157 PolarHBondContact O-N 2.97Å; S157-S159 PolarHBondContact O-N 3.4Å; S157-D160 PolarHBondContact O-N 3.41Å; S157-D160 VanDerWaalsContact O-N 3.14Å
158	F	52.3	Low	49.2	Very low	186 Å²	186	130.2 Å²	130.2	82%	0.816	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	-8.7	-174.9	-85.3	-101.7	0	0	0	115.3	A156 D160 Y161	A156-F158 PolarHBondContact O-N 3.29Å; F158-D160 VanDerWaalsContact C-N 3.34Å; F158-Y161 PolarHBondContact O-N 3.3Å
159	S	48	Very low	47.4	Very low	63 Å²	63	132.4 Å²	132.4	44%	0.441	68%	0.678	S	S	.	*	H	α-helix	trans	-67.9	-26.3	174.3	-171.9	0	0	0	0	114.2	S157 Y161 Y162 Y163	S157-S159 PolarHBondContact O-N 3.4Å; S159-Y161 PolarHBondContact O-N 2.99Å; S159-Y162 PolarHBondContact O-N 2.92Å; S159-Y163 WeakPolarHBondContact O-CD2 3.48Å; S159-Y163 PolarHBondContact O-N 2.91Å; S159-Y163 WeakPolarHBondContact OG-CE2 3.32Å
160	D	45.4	Very low	46.2	Very low	120 Å²	120	133.1 Å²	133.1	64%	0.642	68%	0.683	S	S	*	*	H	α-helix	trans	-69.5	-19.2	178.1	-92.9	-19.2	0	0	0	112.3	S157 F158 K164	S157-D160 PolarHBondContact O-N 3.41Å; S157-D160 VanDerWaalsContact O-N 3.14Å; F158-D160 VanDerWaalsContact C-N 3.34Å; D160-K164 WeakPolarHBondContact O-CB 3.44Å; D160-K164 PolarHBondContact O-N 3.42Å
161	Y	47.8	Very low	45.5	Very low	195 Å²	195	136.9 Å²	136.9	77%	0.765	70%	0.701	S	S	*	*	H	α-helix	trans	-72.6	-31.7	174.5	-161.2	-96.6	0	0	0	112.1	F158 S159	F158-Y161 PolarHBondContact O-N 3.3Å; S159-Y161 PolarHBondContact O-N 2.99Å
162	Y	48.7	Very low	45.6	Very low	167 Å²	167	136.4 Å²	136.4	66%	0.655	71%	0.706	S	S	*	*	H	α-helix	trans	-84.3	-40.4	-175.5	-141.1	-90.2	0	0	0	112.7	S159 K164 W165	S159-Y162 PolarHBondContact O-N 2.92Å; Y162-K164 VanDerWaalsContact C-N 3.35Å; Y162-W165 PolarHBondContact O-N 2.9Å
163	Y	48.3	Very low	45.8	Very low	165 Å²	165	135 Å²	135	65%	0.647	70%	0.701	S	S	*	*	H	α-helix	trans	-73.9	-25.7	175.6	-72.3	-73.8	0	0	0	113.1	S159 W165 S167	S159-Y163 WeakPolarHBondContact O-CD2 3.48Å; S159-Y163 PolarHBondContact O-N 2.91Å; S159-Y163 WeakPolarHBondContact OG-CE2 3.32Å; Y163-W165 VanDerWaalsContact C-N 3.29Å; Y163-W165 PolarHBondContact O-N 3.31Å; Y163-S167 PolarHBondContact O-N 3.37Å
164	K	41.3	Very low	46.4	Very low	161 Å²	161	130.2 Å²	130.2	70%	0.7	69%	0.692	S	S	*	*	H	α-helix	trans	-71.9	-22	173.2	-171.8	175.9	169.6	-177.9	0	112.9	D160 Y162 A168	D160-K164 WeakPolarHBondContact O-CB 3.44Å; D160-K164 PolarHBondContact O-N 3.42Å; Y162-K164 VanDerWaalsContact C-N 3.35Å; K164-A168 VanDerWaalsContact O-CB 3.28Å; K164-A168 WeakPolarHBondContact O-CB 3.39Å; K164-A168 PolarHBondContact O-N 3.02Å
165	W	36.2	Very low	47.3	Very low	193 Å²	193	128.3 Å²	128.3	73%	0.731	67%	0.672	S	S	*	*	H	α-helix	trans	-82.8	-27.2	177.7	-167.6	60.6	0	0	0	113.2	Y162 Y163	Y162-W165 PolarHBondContact O-N 2.9Å; Y163-W165 VanDerWaalsContact C-N 3.29Å; Y163-W165 PolarHBondContact O-N 3.31Å
166	Y	42.6	Very low	48.3	Very low	194 Å²	194	124.9 Å²	124.9	76%	0.761	66%	0.661	S	S	*	*	H	α-helix	trans	-97.6	-15.7	180	-133.8	-89.9	0	0	0	114.6
167	S	43.2	Very low	49.7	Very low	102 Å²	102	125.9 Å²	125.9	71%	0.713	65%	0.654	S	S	*	*	S	Bend	trans	-112.9	7.9	177.2	-64.9	0	0	0	0	114.2	Y163 D169	Y163-S167 PolarHBondContact O-N 3.37Å; S167-D169 PolarHBondContact O-N 3.08Å
168	A	43.2	Very low	51.1	Low	60 Å²	60	125.6 Å²	125.6	50%	0.496	65%	0.648	S	S	.	*			trans	-84.9	53.2	161.2	0	0	0	0	0	110.6	K164 S170	K164-A168 VanDerWaalsContact O-CB 3.28Å; K164-A168 WeakPolarHBondContact O-CB 3.39Å; K164-A168 PolarHBondContact O-N 3.02Å; A168-S170 PolarHBondContact O-N 2.99Å
169	D	40.9	Very low	52.4	Low	164 Å²	164	121.2 Å²	121.2	88%	0.877	63%	0.633	S	S	*	*			trans	-80.3	63.9	151.9	-138.7	-2.9	0	0	0	106.8	S167 C171	S167-D169 PolarHBondContact O-N 3.08Å; D169-C171 PolarHBondContact O-N 2.87Å
170	S	43.4	Very low	54.1	Low	89 Å²	89	122.9 Å²	122.9	62%	0.622	64%	0.64	S	S	*	*			trans	-79	115.5	177.5	55.3	0	0	0	0	108	A168 N172	A168-S170 PolarHBondContact O-N 2.99Å; S170-N172 PolarHBondContact O-N 3.12Å
171	C	47.8	Very low	56.1	Low	120 Å²	120	121 Å²	121	81%	0.811	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	14.7	98.1	145.9	-62.8	0	0	0	0	115.9	D169 M173	D169-C171 PolarHBondContact O-N 2.87Å; C171-M173 PolarHBondContact O-N 3.18Å
172	N	56.3	Low	57.8	Low	143 Å²	143	117.3 Å²	117.3	77%	0.765	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn		51.1	33.6	129.7	-153.4	27.6	0	0	0	119.6	S170	S170-N172 PolarHBondContact O-N 3.12Å
173	M	56.3	Low	59.7	Low	139 Å²	139	114.9 Å²	114.9	69%	0.685	62%	0.623	S	S	*	*	S	Bend	trans	-131.3	-28.8	171.3	-159	130.4	59.5	0	0	114.2	C171 I177	C171-M173 PolarHBondContact O-N 3.18Å; M173-I177 HydrophobicContact CG-CD1 4.48Å; M173-I177 WeakPolarHBondContact O-CD1 3.29Å; M173-I177 VanDerWaalsContact O-CG1 3.31Å; M173-I177 WeakPolarHBondContact O-CG1 3.25Å
174	G	56.5	Low	61.7	Low	50 Å²	50	108.7 Å²	108.7	52%	0.515	61%	0.61	S	S	.	*	H	α-helix	trans	-72.8	-37.3	175.3	0	0	0	0	0	113.8	I177 T178	G174-I177 PolarHBondContact O-N 3.4Å; G174-T178 WeakPolarHBondContact O-CG2 3.39Å; G174-T178 PolarHBondContact O-N 3.05Å; G174-T178 VanDerWaalsContact O-N 3.09Å; G174-T178 PolarHBondContact O-OG1 3.06Å
175	G	62	Low	63.9	Low	41 Å²	41	105.6 Å²	105.6	42%	0.423	60%	0.6	S	S	.	*	H	α-helix	trans	-68.1	-33.2	179.3	0	0	0	0	0	114	T178 I179	G175-T178 WeakPolarHBondContact CA-OG1 2.92Å; G175-T178 PolarHBondContact O-OG1 3.22Å; G175-I179 WeakPolarHBondContact O-CB 3.42Å; G175-I179 WeakPolarHBondContact O-CD1 3.34Å; G175-I179 WeakPolarHBondContact O-CG1 3.38Å; G175-I179 PolarHBondContact O-N 2.77Å; G175-I179 VanDerWaalsContact O-N 3.1Å
176	L	64	Low	66.2	Low	98 Å²	98	99.2 Å²	99.2	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-71.4	-39.6	175.3	-78	170.5	0	0	0	111.6	I179 V180	L176-I179 PolarHBondContact O-N 2.81Å; L176-V180 WeakPolarHBondContact O-CB 3.33Å; L176-V180 VanDerWaalsContact O-CG2 3.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.27Å; L176-V180 PolarHBondContact O-N 3.45Å
177	I	75.1	Confident	68.2	Low	105 Å²	105	95.9 Å²	95.9	54%	0.538	58%	0.578	S	S	.	*	H	α-helix	trans	-65.9	-42	178.5	-65.1	168.3	0	0	0	110.3	M173 G174 V180 V181	M173-I177 HydrophobicContact CG-CD1 4.48Å; M173-I177 WeakPolarHBondContact O-CD1 3.29Å; M173-I177 VanDerWaalsContact O-CG1 3.31Å; M173-I177 WeakPolarHBondContact O-CG1 3.25Å; G174-I177 PolarHBondContact O-N 3.4Å; I177-V180 PolarHBondContact O-N 3.01Å; I177-V181 HydrophobicContact CG2-CG2 4.48Å; I177-V181 WeakPolarHBondContact O-CB 3.27Å; I177-V181 VanDerWaalsContact O-CG2 3.25Å; I177-V181 WeakPolarHBondContact O-CG2 3.32Å; I177-V181 PolarHBondContact O-N 2.89Å
178	T	74	Confident	70	Confident	82 Å²	82	94.8 Å²	94.8	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-66.3	-39.2	176.4	50.4	0	0	0	0	112.4	G174 G175 V181 L182	G174-T178 WeakPolarHBondContact O-CG2 3.39Å; G174-T178 PolarHBondContact O-N 3.05Å; G174-T178 VanDerWaalsContact O-N 3.09Å; G174-T178 PolarHBondContact O-OG1 3.06Å; G175-T178 WeakPolarHBondContact CA-OG1 2.92Å; G175-T178 PolarHBondContact O-OG1 3.22Å; T178-V181 PolarHBondContact O-N 3.37Å; T178-L182 WeakPolarHBondContact O-CB 3.42Å; T178-L182 VanDerWaalsContact O-CG 3.32Å; T178-L182 WeakPolarHBondContact O-CG 3.44Å; T178-L182 PolarHBondContact O-N 3.38Å
179	I	79.1	Confident	71.9	Confident	94 Å²	94	95.1 Å²	95.1	48%	0.482	56%	0.562	S	S	.	*	H	α-helix	trans	-63.6	-44.2	174.4	-70.1	166	0	0	0	111.4	G175 L176 V181 L182 L183	G175-I179 WeakPolarHBondContact O-CB 3.42Å; G175-I179 WeakPolarHBondContact O-CD1 3.34Å; G175-I179 WeakPolarHBondContact O-CG1 3.38Å; G175-I179 PolarHBondContact O-N 2.77Å; G175-I179 VanDerWaalsContact O-N 3.1Å; L176-I179 PolarHBondContact O-N 2.81Å; I179-V181 PolarHBondContact O-N 3.46Å; I179-L182 PolarHBondContact O-N 2.88Å; I179-L183 HydrophobicContact CG2-CD1 4.02Å; I179-L183 HydrophobicContact CG2-CG 4.47Å; I179-L183 WeakPolarHBondContact O-CG 3.3Å; I179-L183 PolarHBondContact O-N 2.85Å
180	V	84.8	Confident	73.8	Confident	98 Å²	98	93.2 Å²	93.2	59%	0.594	54%	0.544	S	S	*	.	H	α-helix	trans	-63.6	-41.6	178.3	169.6	0	0	0	0	111.4	L176 I177 L183 G184	L176-V180 WeakPolarHBondContact O-CB 3.33Å; L176-V180 VanDerWaalsContact O-CG2 3.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.27Å; L176-V180 PolarHBondContact O-N 3.45Å; I177-V180 PolarHBondContact O-N 3.01Å; V180-L183 PolarHBondContact O-N 3.25Å; V180-G184 PolarHBondContact O-N 3.3Å
181	V	86.9	Confident	75.3	Confident	81 Å²	81	94.3 Å²	94.3	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-65.1	-42.9	177.2	170.7	0	0	0	0	111.1	I177 T178 I179 G184 I185	I177-V181 HydrophobicContact CG2-CG2 4.48Å; I177-V181 WeakPolarHBondContact O-CB 3.27Å; I177-V181 VanDerWaalsContact O-CG2 3.25Å; I177-V181 WeakPolarHBondContact O-CG2 3.32Å; I177-V181 PolarHBondContact O-N 2.89Å; T178-V181 PolarHBondContact O-N 3.37Å; I179-V181 PolarHBondContact O-N 3.46Å; V181-G184 PolarHBondContact O-N 3.44Å; V181-I185 HydrophobicContact CG1-CD1 3.95Å; V181-I185 WeakPolarHBondContact O-CG1 3.4Å; V181-I185 PolarHBondContact O-N 2.97Å
182	L	84.2	Confident	76.4	Confident	117 Å²	117	94.7 Å²	94.7	61%	0.613	53%	0.53	S	S	*	.	H	α-helix	trans	-64.6	-40.7	177.1	-73.4	174.8	0	0	0	112.4	T178 I179 G184 I185 A186	T178-L182 WeakPolarHBondContact O-CB 3.42Å; T178-L182 VanDerWaalsContact O-CG 3.32Å; T178-L182 WeakPolarHBondContact O-CG 3.44Å; T178-L182 PolarHBondContact O-N 3.38Å; I179-L182 PolarHBondContact O-N 2.88Å; L182-G184 VanDerWaalsContact C-N 3.34Å; L182-I185 PolarHBondContact O-N 2.9Å; L182-A186 WeakPolarHBondContact O-CB 3.39Å; L182-A186 PolarHBondContact O-N 3.46Å
183	L	88	Confident	76.9	Confident	116 Å²	116	95.7 Å²	95.7	61%	0.607	53%	0.528	S	S	*	.	H	α-helix	trans	-65.6	-36.8	174.2	-71.8	174.9	0	0	0	112.1	I179 V180 A186 F187	I179-L183 HydrophobicContact CG2-CD1 4.02Å; I179-L183 HydrophobicContact CG2-CG 4.47Å; I179-L183 WeakPolarHBondContact O-CG 3.3Å; I179-L183 PolarHBondContact O-N 2.85Å; V180-L183 PolarHBondContact O-N 3.25Å; L183-A186 PolarHBondContact O-N 3.11Å; L183-F187 WeakPolarHBondContact O-CB 3.46Å; L183-F187 PolarHBondContact O-N 3.47Å
184	G	89.4	Confident	77.2	Confident	35 Å²	35	95 Å²	95	36%	0.361	53%	0.527	S	S	.	.	H	α-helix	trans	-62.9	-45.4	174	0	0	0	0	0	112.5	V180 V181 L182 F187 V188	V180-G184 PolarHBondContact O-N 3.3Å; V181-G184 PolarHBondContact O-N 3.44Å; L182-G184 VanDerWaalsContact C-N 3.34Å; G184-F187 PolarHBondContact O-N 2.89Å; G184-V188 WeakPolarHBondContact O-CG2 3.31Å; G184-V188 PolarHBondContact O-N 3.49Å
185	I	87.4	Confident	77.4	Confident	97 Å²	97	95 Å²	95	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-62.8	-44.6	176.1	-65.8	165.8	0	0	0	110.3	V181 L182 F187 V188 V189	V181-I185 HydrophobicContact CG1-CD1 3.95Å; V181-I185 WeakPolarHBondContact O-CG1 3.4Å; V181-I185 PolarHBondContact O-N 2.97Å; L182-I185 PolarHBondContact O-N 2.9Å; I185-F187 VanDerWaalsContact C-N 3.33Å; I185-F187 PolarHBondContact O-N 3.24Å; I185-V188 PolarHBondContact O-N 2.63Å; I185-V189 WeakPolarHBondContact O-CG2 3.39Å; I185-V189 PolarHBondContact O-N 3.28Å
186	A	84.3	Confident	76.9	Confident	58 Å²	58	100.5 Å²	100.5	48%	0.479	54%	0.539	S	S	.	.	H	α-helix	trans	-61.6	-39.1	176.8	0	0	0	0	0	112.5	L182 L183 V189 Y190	L182-A186 WeakPolarHBondContact O-CB 3.39Å; L182-A186 PolarHBondContact O-N 3.46Å; L183-A186 PolarHBondContact O-N 3.11Å; A186-V189 PolarHBondContact O-N 3.23Å; A186-Y190 WeakPolarHBondContact O-CB 3.4Å; A186-Y190 PolarHBondContact O-N 2.64Å
187	F	85.1	Confident	76.7	Confident	125 Å²	125	98.8 Å²	98.8	55%	0.548	55%	0.545	S	S	.	.	H	α-helix	trans	-67.2	-40.4	176.7	-178.7	-100.3	0	0	0	112.6	L183 G184 I185 Y190 K191	L183-F187 WeakPolarHBondContact O-CB 3.46Å; L183-F187 PolarHBondContact O-N 3.47Å; G184-F187 PolarHBondContact O-N 2.89Å; I185-F187 VanDerWaalsContact C-N 3.33Å; I185-F187 PolarHBondContact O-N 3.24Å; F187-Y190 PolarHBondContact O-N 3.46Å; F187-K191 HydrophobicContact CD1-CG 4.43Å; F187-K191 HydrophobicContact CE1-CG 3.95Å; F187-K191 HydrophobicContact CE2-CG 4.37Å; F187-K191 HydrophobicContact CZ-CG 3.92Å; F187-K191 PolarHBondContact O-N 2.77Å
188	V	82.1	Confident	75.1	Confident	78 Å²	78	103.2 Å²	103.2	47%	0.473	56%	0.563	S	S	.	*	H	α-helix	trans	-64.4	-43.2	175.4	170.9	0	0	0	0	110.5	G184 I185 Y190 K191 L192	G184-V188 WeakPolarHBondContact O-CG2 3.31Å; G184-V188 PolarHBondContact O-N 3.49Å; I185-V188 PolarHBondContact O-N 2.63Å; V188-Y190 PolarHBondContact O-N 3.18Å; V188-K191 PolarHBondContact O-N 3.16Å; V188-L192 HydrophobicContact CG1-CD1 3.55Å; V188-L192 HydrophobicContact CG1-CG 4.21Å; V188-L192 VanDerWaalsContact O-CB 3.32Å; V188-L192 WeakPolarHBondContact O-CB 3.43Å; V188-L192 VanDerWaalsContact O-CG 3.27Å; V188-L192 WeakPolarHBondContact O-CG 3.25Å; V188-L192 PolarHBondContact O-N 2.93Å
189	V	82.5	Confident	73.5	Confident	68 Å²	68	109.4 Å²	109.4	41%	0.412	58%	0.579	S	S	.	*	H	α-helix	trans	-62.3	-42.5	174.1	172.6	0	0	0	0	111	I185 A186 K191 L192 F193	I185-V189 WeakPolarHBondContact O-CG2 3.39Å; I185-V189 PolarHBondContact O-N 3.28Å; A186-V189 PolarHBondContact O-N 3.23Å; V189-K191 PolarHBondContact O-N 2.67Å; V189-L192 PolarHBondContact O-N 3.45Å; V189-F193 HydrophobicContact CB-CD2 4.46Å; V189-F193 HydrophobicContact CG1-CD2 3.88Å; V189-F193 WeakPolarHBondContact O-CB 3.35Å; V189-F193 WeakPolarHBondContact O-CD2 3.49Å; V189-F193 PolarHBondContact O-N 3.1Å
190	Y	80.4	Confident	71.7	Confident	123 Å²	123	110.5 Å²	110.5	48%	0.482	59%	0.594	S	S	.	*	H	α-helix	trans	-60.8	-42.8	175.3	172.7	-101.4	0	0	0	112.6	A186 F187 V188 L194 S195	A186-Y190 WeakPolarHBondContact O-CB 3.4Å; A186-Y190 PolarHBondContact O-N 2.64Å; F187-Y190 PolarHBondContact O-N 3.46Å; V188-Y190 PolarHBondContact O-N 3.18Å; Y190-L194 HydrophobicContact CD2-CB 3.73Å; Y190-L194 HydrophobicContact CD2-CD1 3.97Å; Y190-L194 HydrophobicContact CD2-CG 4.5Å; Y190-L194 HydrophobicContact CE2-CB 4.01Å; Y190-L194 CarbonylContact O-C 3.56Å; Y190-L194 WeakPolarHBondContact O-CA 3.34Å; Y190-L194 VanDerWaalsContact O-CB 3.31Å; Y190-L194 WeakPolarHBondContact O-CB 3.4Å; Y190-L194 PolarHBondContact O-N 3.27Å; Y190-S195 WeakPolarHBondContact CE1-OG 2.91Å; Y190-S195 PolarHBondContact O-N 2.71Å; Y190-S195 PolarHBondContact O-OG 3.2Å
191	K	74.3	Confident	70.1	Confident	112 Å²	112	111.3 Å²	111.3	49%	0.487	60%	0.602	S	S	.	*	H	α-helix	trans	-71.4	-35.8	177.8	-78.3	-64.9	-171.4	-176.1	0	113.3	F187 V188 V189	F187-K191 HydrophobicContact CD1-CG 4.43Å; F187-K191 HydrophobicContact CE1-CG 3.95Å; F187-K191 HydrophobicContact CE2-CG 4.37Å; F187-K191 HydrophobicContact CZ-CG 3.92Å; F187-K191 PolarHBondContact O-N 2.77Å; V188-K191 PolarHBondContact O-N 3.16Å; V189-K191 PolarHBondContact O-N 2.67Å
192	L	71.6	Confident	68.1	Low	128 Å²	128	113.2 Å²	113.2	67%	0.67	62%	0.616	S	S	*	*	H	α-helix	trans	-80.6	-30.1	-178.5	-70.6	174.4	0	0	0	113.7	V188 V189	V188-L192 HydrophobicContact CG1-CD1 3.55Å; V188-L192 HydrophobicContact CG1-CG 4.21Å; V188-L192 VanDerWaalsContact O-CB 3.32Å; V188-L192 WeakPolarHBondContact O-CB 3.43Å; V188-L192 VanDerWaalsContact O-CG 3.27Å; V188-L192 WeakPolarHBondContact O-CG 3.25Å; V188-L192 PolarHBondContact O-N 2.93Å; V189-L192 PolarHBondContact O-N 3.45Å
193	F	67.6	Low	66.4	Low	164 Å²	164	113.1 Å²	113.1	72%	0.719	62%	0.622	S	S	*	*	H	α-helix	trans	-116.6	-18.6	-173.3	-66.5	-81.3	0	0	0	115	V189	V189-F193 HydrophobicContact CB-CD2 4.46Å; V189-F193 HydrophobicContact CG1-CD2 3.88Å; V189-F193 WeakPolarHBondContact O-CB 3.35Å; V189-F193 WeakPolarHBondContact O-CD2 3.49Å; V189-F193 PolarHBondContact O-N 3.1Å
194	L	61.6	Low	63.8	Low	125 Å²	125	118.2 Å²	118.2	65%	0.654	64%	0.635	S	S	*	*	S	Bend	trans	-125	-0.7	-171.9	-72.2	153.2	0	0	0	114.1	Y190	Y190-L194 HydrophobicContact CD2-CB 3.73Å; Y190-L194 HydrophobicContact CD2-CD1 3.97Å; Y190-L194 HydrophobicContact CD2-CG 4.5Å; Y190-L194 HydrophobicContact CE2-CB 4.01Å; Y190-L194 CarbonylContact O-C 3.56Å; Y190-L194 WeakPolarHBondContact O-CA 3.34Å; Y190-L194 VanDerWaalsContact O-CB 3.31Å; Y190-L194 WeakPolarHBondContact O-CB 3.4Å; Y190-L194 PolarHBondContact O-N 3.27Å
195	S	60.4	Low	61.2	Low	49 Å²	49	120.3 Å²	120.3	34%	0.343	64%	0.644	S	S	.	*			trans	-119.5	60.3	177.4	-59.1	0	0	0	0	111.4	Y190	Y190-S195 WeakPolarHBondContact CE1-OG 2.91Å; Y190-S195 PolarHBondContact O-N 2.71Å; Y190-S195 PolarHBondContact O-OG 3.2Å
196	D	51.8	Low	58.6	Low	158 Å²	158	123.4 Å²	123.4	85%	0.845	66%	0.656	S	S	*	*			trans	-122.3	115	158.1	-163.4	20	0	0	0	108.9
197	G	59.2	Low	56.1	Low	62 Å²	62	131.5 Å²	131.5	64%	0.639	68%	0.676	S	S	*	*			trans	158.4	41.4	-174	0	0	0	0	0	115.6
198	Q	41.4	Very low	54.4	Low	198 Å²	198	130.1 Å²	130.1	93%	0.925	68%	0.68	S	S	*	*			trans	-144.4	94.9	150.1	-74.9	-152.2	-25.4	0	0	110.4
199	Y	41.6	Very low	52.6	Low	212 Å²	212	131.5 Å²	131.5	83%	0.831	69%	0.69	S	S	*	*			trans	-64.7	139.3	164.4	-88.9	-96.5	0	0	0	110.6
200	S	41.8	Very low	50.1	Low	116 Å²	116	137.7 Å²	137.7	81%	0.811	71%	0.712	S	S	*	*			trans	-150.5	112	152.6	-75	0	0	0	0	109
201	P	50.2	Low	47.6	Very low	116 Å²	116	135.9 Å²	135.9	75%	0.753	72%	0.718	S	S	*	*			trans	-99	146.2	171.4	34.8	-27.3	0	0	0	111.3
202	P	44.5	Very low	45.4	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	73%	0.732	S	S	*	*			trans	-133.1	178.6	154.5	47.2	-33.8	0	0	0	110.3
203	P	48.8	Very low	43.3	Very low	115 Å²	115	142.5 Å²	142.5	75%	0.747	74%	0.738	S	S	*	*				-124.4	154.9	-104.5	26.8	-4.9	0	0	0	112.8
204	Y	34.6	Very low	41.4	Very low	224 Å²	224	143 Å²	143	88%	0.878	74%	0.736	S	S	*	*			trans	-171.7	152	133.4	-130.4	-103.5	0	0	0	113.6
205	S	34.2	Very low	39.9	Very low	78 Å²	78	145 Å²	145	55%	0.545	74%	0.742	S	S	.	*			trans	-94.8	162.9	-172.4	159.4	0	0	0	0	112.1
206	E	31.8	Very low	38.3	Very low	163 Å²	163	153.8 Å²	153.8	76%	0.762	77%	0.767	S	S	*	*				139.8	91.8	125.4	-135.6	107.8	176.7	0	0	116.3
207	Y	31.7	Very low	37.2	Very low	227 Å²	227	155.1 Å²	155.1	89%	0.89	77%	0.766	S	S	*	*			trans	21.8	161.2	141.3	-91.3	-105.6	0	0	0	127.5
208	P	51.1	Low	35.8	Very low	96 Å²	96	157.9 Å²	157.9	62%	0.623	77%	0.771	S	S	*	*			trans	-109.9	-163.4	-155.4	46.5	-37.2	0	0	0	115.8
209	P	43.6	Very low	35.3	Very low	108 Å²	108	155.9 Å²	155.9	70%	0.701	77%	0.767	S	S	*	*				-156.1	156.6	90.8	36.1	-13.8	0	0	0	120.1
210	F	30.3	Very low	35	Very low	197 Å²	197	151.4 Å²	151.4	86%	0.864	77%	0.766	S	S	*	*			trans	41.9	144.1	141.1	-77.1	-89.6	0	0	0	121.9
211	S	28.4	Very low	34.8	Very low	86 Å²	86	150.8 Å²	150.8	60%	0.601	77%	0.768	S	S	*	*			cis	-174	160.7	17.7	54	0	0	0	0	113.4
212	H	28.4	Very low	34.4	Very low	170 Å²	170	148.2 Å²	148.2	79%	0.787	76%	0.762	S	S	*	*			trans	77.2	108.4	140.9	-72.5	-34.1	0	0	0	123.5
213	R	25.7	Very low	34.6	Very low	209 Å²	209	148.5 Å²	148.5	79%	0.789	76%	0.764	S	S	*	*				132.2	124.8	96.7	-167.2	164.9	-171.3	171.8	5.8	117.3
214	Y	28.5	Very low	34.9	Very low	173 Å²	173	148.6 Å²	148.6	68%	0.678	77%	0.765	S	S	*	*			trans	56.7	117.1	157.1	-70.1	-61.5	0	0	0	123.9
215	Q	30	Very low	35.7	Very low	169 Å²	169	143.6 Å²	143.6	79%	0.79	76%	0.76	S	S	*	*				26.5	115.3	128.8	-73.1	176.3	-44.1	0	0	119.5
216	R	26.1	Very low	36.2	Very low	232 Å²	232	146.4 Å²	146.4	88%	0.875	78%	0.776	S	S	*	*			trans	-153.8	122.3	139.2	-171	158.5	-75.8	175.3	-4.2	111
217	F	29.9	Very low	36.9	Very low	186 Å²	186	142.1 Å²	142.1	82%	0.816	78%	0.776	S	S	*	*			trans	-60	131.4	163.3	-78.1	-93.3	0	0	0	110
218	T	30.1	Very low	37.4	Very low	121 Å²	121	141.3 Å²	141.3	74%	0.742	78%	0.777	S	S	*	*			trans	-148.3	107.2	148.6	53.8	0	0	0	0	109.4
219	N	29.9	Very low	37.1	Very low	156 Å²	156	145.4 Å²	145.4	83%	0.834	79%	0.785	S	S	*	*			trans	-58.6	135.5	156.4	-67.6	-56.3	0	0	0	108.5
220	S	34.8	Very low	37.1	Very low	118 Å²	118	145.3 Å²	145.3	83%	0.825	79%	0.787	S	S	*	*			trans	-143.8	87.6	159.9	-80.6	0	0	0	0	107.8
221	A	39.3	Very low	37.9	Very low	103 Å²	103	144.2 Å²	144.2	85%	0.851	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-67.4	134.1	164.3	0	0	0	0	0	108.7
222	G	41.8	Very low	38.6	Very low	61 Å²	61	149.8 Å²	149.8	63%	0.629	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-64.4	157.8	176.9	0	0	0	0	0	112.7
223	P	47.9	Very low	39.2	Very low	127 Å²	127	147.4 Å²	147.4	83%	0.825	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.5	139.5	-174.7	26.9	-33.3	0	0	0	112.2
224	P	55.3	Low	39.7	Very low	117 Å²	117	140.7 Å²	140.7	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-75.9	153.1	175.2	30.1	-33.6	0	0	0	112.5
225	P	51.3	Low	40	Very low	118 Å²	118	138.8 Å²	138.8	77%	0.766	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.2	152.4	-178.1	27.2	-33.7	0	0	0	113.1
226	P	43.9	Very low	40.6	Very low	138 Å²	138	139.1 Å²	139.1	90%	0.896	80%	0.802	S	S	*	*	S	Bend	trans	-73.4	133.9	-172.1	-10.4	26.7	0	0	0	112.2
227	G	47.9	Very low	40.8	Very low	72 Å²	72	134.7 Å²	134.7	74%	0.742	80%	0.796	S	S	*	*	S	Bend	trans	133.1	2	159.7	0	0	0	0	0	119.1
228	F	41.3	Very low	40.8	Very low	210 Å²	210	132.3 Å²	132.3	92%	0.921	80%	0.797	S	S	*	*			trans	-122.3	133.7	175.7	-108.2	-97.2	0	0	0	112.4
229	K	45.8	Very low	40.7	Very low	183 Å²	183	130.4 Å²	130.4	80%	0.796	80%	0.801	S	S	*	*			trans	-87.9	132.3	-173.2	-45.4	-173.4	-176	-166.1	0	109.6	E231	K229-E231 VanDerWaalsContact C-N 3.32Å; K229-E231 PolarHBondContact O-N 3.14Å
230	S	43.3	Very low	40.7	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	81%	0.806	S	S	*	*			trans	-87.4	23.1	-169.5	53	0	0	0	0	115.3
231	E	46	Very low	40.3	Very low	174 Å²	174	130.5 Å²	130.5	81%	0.813	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	0.9	-174.4	-73.1	173.8	170.8	0	0	114.5	K229	K229-E231 VanDerWaalsContact C-N 3.32Å; K229-E231 PolarHBondContact O-N 3.14Å
232	F	42.9	Very low	39.8	Very low	203 Å²	203	129.7 Å²	129.7	89%	0.89	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	3.2	-178.6	-86.7	-82.5	0	0	0	115.8
233	T	42.6	Very low	39.2	Very low	121 Å²	121	133.1 Å²	133.1	74%	0.742	80%	0.804	S	S	*	*			trans	-125.3	87.1	177.2	49.1	0	0	0	0	110.9
234	G	35.7	Very low	38.5	Very low	67 Å²	67	132.7 Å²	132.7	69%	0.691	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-70.3	172	171	0	0	0	0	0	113.5
235	P	34.7	Very low	37.2	Very low	133 Å²	133	130.5 Å²	130.5	86%	0.864	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.7	149.8	-162.1	-14.2	29	0	0	0	114.4
236	Q	43	Very low	36.2	Very low	177 Å²	177	135.3 Å²	135.3	83%	0.827	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-54.4	134.3	171.4	-64.6	171.5	0.7	0	0	111.4
237	N	29.2	Very low	35.4	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	81%	0.806	S	S	*	*				172.9	142.9	123.4	-90.1	-42	0	0	0	113.2
238	T	29.7	Very low	34.7	Very low	136 Å²	136	134.8 Å²	134.8	83%	0.834	81%	0.812	S	S	*	*			trans	56.9	120	145.2	58.8	0	0	0	0	119.7
239	G	28.3	Very low	34	Very low	81 Å²	81	128 Å²	128	84%	0.835	80%	0.795	S	S	*	*			trans	161.6	119.4	155.4	0	0	0	0	0	115.8
240	H	29.5	Very low	33.2	Very low	204 Å²	204	128.6 Å²	128.6	94%	0.944	80%	0.798	S	S	*	*			trans	-63.7	157.1	165.1	-66.4	-47.5	0	0	0	113
241	G	27	Very low	33.1	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	80%	0.804	S	S	*	*			trans	98.6	99.2	159.1	0	0	0	0	0	113.5
242	A	29.4	Very low	32.3	Very low	87 Å²	87	125.5 Å²	125.5	72%	0.719	80%	0.802	S	S	*	*				66	104.1	77.4	0	0	0	0	0	112
243	T	29.5	Very low	31.9	Very low	133 Å²	133	124.5 Å²	124.5	82%	0.816	80%	0.8	S	S	*	*				124.6	152.1	113.2	60.3	0	0	0	0	107.7
244	S	31.9	Very low	31.4	Very low	118 Å²	118	128 Å²	128	83%	0.825	81%	0.807	S	S	*	*			cis	-170	150.2	-0.2	34.7	0	0	0	0	106.4
245	G	28.8	Very low	31.1	Very low	71 Å²	71	128.5 Å²	128.5	73%	0.732	81%	0.813	S	S	*	*	S	Bend	trans	155.4	45.8	164.3	0	0	0	0	0	119.3
246	F	29.7	Very low	31.2	Very low	219 Å²	219	132.1 Å²	132.1	96%	0.961	81%	0.811	S	S	*	*	S	Bend		176.9	114	125.7	-113.9	-91.5	0	0	0	111.4
247	G	27.6	Very low	30.7	Very low	75 Å²	75	131.9 Å²	131.9	77%	0.773	81%	0.81	S	S	*	*			trans	77.4	80.2	137.6	0	0	0	0	0	121.8
248	S	32.8	Very low	31.1	Very low	124 Å²	124	132.8 Å²	132.8	87%	0.867	82%	0.815	S	S	*	*			trans	-63.7	164.1	141.8	52.1	0	0	0	0	110.6
249	A	26.5	Very low	31.6	Very low	68 Å²	68	132.2 Å²	132.2	56%	0.562	82%	0.817	S	S	*	*			cis	-162.7	161.9	24.1	0	0	0	0	0	105.5
250	F	29.2	Very low	32.5	Very low	194 Å²	194	131.7 Å²	131.7	85%	0.851	81%	0.811	S	S	*	*				-165.9	151.2	53.6	-76.6	-88.6	0	0	0	108.8
251	T	41.5	Very low	33.6	Very low	141 Å²	141	127 Å²	127	87%	0.865	80%	0.799	S	S	*	*			trans	-50.2	138.2	154.7	48.9	0	0	0	0	111.6
252	G	28.3	Very low	35	Very low	74 Å²	74	126.6 Å²	126.6	76%	0.763	79%	0.794	S	S	*	*			trans	-163.6	127.6	167.1	0	0	0	0	0	110.8
253	Q	35.8	Very low	36.4	Very low	182 Å²	182	131.1 Å²	131.1	85%	0.85	80%	0.798	S	S	*	*			trans	-55.6	166.7	174.5	-72.8	168.4	-82.1	0	0	113.9
254	Q	31.1	Very low	37.5	Very low	193 Å²	193	134.5 Å²	134.5	90%	0.902	80%	0.796	S	S	*	*			trans	85	134.7	160.7	-70.1	169.9	-13.8	0	0	117.6
255	G	29.4	Very low	38.7	Very low	79 Å²	79	132.6 Å²	132.6	81%	0.814	78%	0.779	S	S	*	*			trans	119.3	93.3	149.8	0	0	0	0	0	115.8
256	Y	37.9	Very low	39.9	Very low	209 Å²	209	131.9 Å²	131.9	82%	0.82	77%	0.772	S	S	*	*			trans	-33.7	134.5	156.3	-149.9	-117.8	0	0	0	113.3
257	E	32.5	Very low	41.2	Very low	172 Å²	172	128.5 Å²	128.5	80%	0.804	76%	0.763	S	S	*	*				163.1	133.8	118.4	-83.6	-171.7	-176.8	0	0	113.4
258	N	36.3	Very low	42.5	Very low	157 Å²	157	127.7 Å²	127.7	84%	0.84	76%	0.755	S	S	*	*			trans	-86.1	132.2	-175.4	-69	-58.8	0	0	0	111.3
259	S	39.8	Very low	43.6	Very low	125 Å²	125	126.2 Å²	126.2	87%	0.874	74%	0.741	S	S	*	*			trans	-160	126.3	150.1	45	0	0	0	0	107.3
260	G	47.5	Very low	44.7	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	74%	0.74	S	S	*	*			cis	-166.6	-167.1	23.4	0	0	0	0	0	113.2
261	P	53.2	Low	45.9	Very low	107 Å²	107	119.2 Å²	119.2	70%	0.695	73%	0.729	S	S	*	*			trans	-103.2	127.8	-135.3	-0.3	22.7	0	0	0	112.7	T265	P261-T265 HydrophobicContact CB-CG2 4.1Å; P261-T265 WeakPolarHBondContact CB-OG1 3.41Å
262	G	57	Low	46.5	Very low	61 Å²	61	118.5 Å²	118.5	63%	0.629	72%	0.719	S	S	*	*			trans	-91.4	131.8	174	0	0	0	0	0	112.9	W264	G262-W264 VanDerWaalsContact C-N 3.26Å; G262-W264 PolarHBondContact O-N 3.36Å
263	F	58.9	Low	47.7	Very low	183 Å²	183	120.6 Å²	120.6	80%	0.803	71%	0.712	S	S	*	*	S	Bend	trans	50.1	-43.9	157.5	-169.9	-109.4	0	0	0	120.1
264	W	52.4	Low	48.4	Very low	203 Å²	203	114.8 Å²	114.8	77%	0.769	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-88.1	-7.6	-175.3	-68.6	103.4	0	0	0	114.6	G262 G266	G262-W264 VanDerWaalsContact C-N 3.26Å; G262-W264 PolarHBondContact O-N 3.36Å; W264-G266 VanDerWaalsContact C-N 3.33Å; W264-G266 PolarHBondContact O-N 2.71Å
265	T	56.3	Low	49.5	Very low	78 Å²	78	115.9 Å²	115.9	48%	0.479	70%	0.698	S	S	.	*	G	3₁₀ helix	trans	-82.3	-7.8	-176.7	-11.6	0	0	0	0	113.8	P261 T269	P261-T265 HydrophobicContact CB-CG2 4.1Å; P261-T265 WeakPolarHBondContact CB-OG1 3.41Å; T265-T269 PolarHBondContact O-OG1 2.96Å
266	G	54.2	Low	50.8	Low	56 Å²	56	118.5 Å²	118.5	58%	0.577	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-87.8	-16.3	-177.2	0	0	0	0	0	116	W264	W264-G266 VanDerWaalsContact C-N 3.33Å; W264-G266 PolarHBondContact O-N 2.71Å
267	L	56.6	Low	51.7	Low	149 Å²	149	117.6 Å²	117.6	78%	0.78	69%	0.694	S	S	*	*	H	α-helix	trans	-87	-26.6	179.9	-111	164.7	0	0	0	112.9
268	G	55.5	Low	52.6	Low	58 Å²	58	112.4 Å²	112.4	60%	0.598	69%	0.686	S	S	*	*	H	α-helix	trans	-80.3	-21.8	-179.1	0	0	0	0	0	115
269	T	55.1	Low	53	Low	93 Å²	93	110 Å²	110	57%	0.571	68%	0.682	S	S	*	*	H	α-helix	trans	-102.7	-21.3	-173.9	50.7	0	0	0	0	113.7	T265	T265-T269 PolarHBondContact O-OG1 2.96Å
270	G	49.8	Very low	53.4	Low	52 Å²	52	112.1 Å²	112.1	54%	0.536	68%	0.683	S	S	.	*	H	α-helix	trans	-77.4	-25.9	180	0	0	0	0	0	115.3
271	G	54.3	Low	53	Low	62 Å²	62	120.6 Å²	120.6	64%	0.639	69%	0.694	S	S	*	*	H	α-helix	trans	-75.1	-23.8	-176.5	0	0	0	0	0	115
272	I	55.1	Low	52.1	Low	126 Å²	126	120.4 Å²	120.4	65%	0.646	70%	0.701	S	S	*	*	H	α-helix	trans	-91.1	-27.7	-173.6	-57.1	176.4	0	0	0	111.4
273	L	53.6	Low	51.1	Low	119 Å²	119	122 Å²	122	62%	0.623	71%	0.709	S	S	*	*	H	α-helix	trans	-77.7	-24.3	178.9	-107.7	119.6	0	0	0	114	Y275 L276	L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 PolarHBondContact O-N 3.06Å; L273-L276 PolarHBondContact O-N 2.9Å
274	G	50.1	Low	50.4	Low	59 Å²	59	120.1 Å²	120.1	61%	0.608	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-21.1	176.7	0	0	0	0	0	114.3
275	Y	54.8	Low	49.8	Very low	216 Å²	216	114.9 Å²	114.9	85%	0.847	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-12.5	179.5	-135.1	-96.1	0	0	0	113.3	L273	L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 PolarHBondContact O-N 3.06Å
276	L	55.6	Low	48.5	Very low	135 Å²	135	120.5 Å²	120.5	71%	0.707	72%	0.722	S	S	*	*	S	Bend	trans	-96.6	-9.1	-176.3	-90.1	155.7	0	0	0	114.6	L273	L273-L276 PolarHBondContact O-N 2.9Å
277	F	56.2	Low	47.4	Very low	190 Å²	190	122.8 Å²	122.8	83%	0.833	73%	0.729	S	S	*	*	S	Bend	trans	-123.4	17	179.5	-80.6	-79.8	0	0	0	114.5
278	G	51.9	Low	46.2	Very low	62 Å²	62	122.6 Å²	122.6	64%	0.639	73%	0.729	S	S	*	*			trans	-125.9	43.2	-169.2	0	0	0	0	0	116.2
279	S	44.5	Very low	44.9	Very low	108 Å²	108	123.8 Å²	123.8	76%	0.755	73%	0.728	S	S	*	*			trans	-151	74.4	168.6	62	0	0	0	0	113.3
280	N	49.2	Very low	43.6	Very low	169 Å²	169	129.8 Å²	129.8	90%	0.904	74%	0.74	S	S	*	*			trans	-144.9	71.1	157.2	-122.8	2	0	0	0	110.6
281	R	38.7	Very low	42.5	Very low	247 Å²	247	137.1 Å²	137.1	93%	0.932	75%	0.754	S	S	*	*			trans	-146.6	113.1	158	-70	-165.2	179.9	175	0.6	109.8
282	A	34.9	Very low	41.4	Very low	103 Å²	103	143 Å²	143	85%	0.851	76%	0.758	S	S	*	*			trans	39.3	116.9	141.8	0	0	0	0	0	119.6
283	A	34.6	Very low	40.7	Very low	95 Å²	95	142.3 Å²	142.3	79%	0.785	76%	0.761	S	S	*	*				-176.2	110.3	123.4	0	0	0	0	0	111
284	T	45.3	Very low	39.5	Very low	142 Å²	142	141.4 Å²	141.4	87%	0.871	77%	0.765	S	S	*	*			trans	-70.8	135.3	149.9	47.4	0	0	0	0	109.1
285	P	39.9	Very low	38.8	Very low	93 Å²	93	148.1 Å²	148.1	60%	0.604	77%	0.773	S	S	*	*				-140.9	139.8	121	32	-15.9	0	0	0	109.7
286	F	29	Very low	38.4	Very low	197 Å²	197	143.5 Å²	143.5	86%	0.864	77%	0.77	S	S	*	*				-148.8	130.3	66.9	-76.7	-86.4	0	0	0	111.6
287	S	31.3	Very low	37.9	Very low	103 Å²	103	142.9 Å²	142.9	72%	0.72	77%	0.774	S	S	*	*			trans	-92.8	133.4	154.1	48.9	0	0	0	0	108.7
288	D	30.2	Very low	36.8	Very low	146 Å²	146	138.4 Å²	138.4	78%	0.781	77%	0.766	S	S	*	*			trans	-168.5	109.5	147.1	-91.1	-28.8	0	0	0	104.9
289	S	27.9	Very low	36	Very low	82 Å²	82	145.8 Å²	145.8	57%	0.573	78%	0.776	S	S	*	*				45.2	117.1	65.4	92.8	0	0	0	0	109.5
290	W	28.1	Very low	36.3	Very low	219 Å²	219	146.3 Å²	146.3	83%	0.83	78%	0.777	S	S	*	*			cis	-154.5	157.6	38.2	-65.5	64.3	0	0	0	107.2
291	Y	28.1	Very low	35.4	Very low	207 Å²	207	141.8 Å²	141.8	81%	0.812	77%	0.77	S	S	*	*				175	129.3	68	-141.7	-97.3	0	0	0	106.6
292	Y	30.4	Very low	35.1	Very low	186 Å²	186	136 Å²	136	73%	0.729	76%	0.763	S	S	*	*			trans	-73.6	157.9	159.2	-104.4	-98.7	0	0	0	108.4
293	P	40.5	Very low	34.9	Very low	110 Å²	110	143.4 Å²	143.4	71%	0.714	77%	0.769	S	S	*	*			cis	-141.7	179.4	46.1	38.5	-16.1	0	0	0	112.8
294	S	28.6	Very low	34.7	Very low	100 Å²	100	146.3 Å²	146.3	70%	0.699	77%	0.771	S	S	*	*			cis	-171	148.9	25.9	-8	0	0	0	0	107.7
295	Y	34.2	Very low	33.8	Very low	200 Å²	200	151 Å²	151	78%	0.784	77%	0.773	S	S	*	*			trans	-50.5	156.8	164.7	-79.8	-88.6	0	0	0	113.3
296	P	46.7	Very low	33.2	Very low	120 Å²	120	150.4 Å²	150.4	78%	0.779	78%	0.776	S	S	*	*				-150.6	-174	80.8	48.2	-28	0	0	0	113.5
297	P	45.6	Very low	33.3	Very low	121 Å²	121	151.7 Å²	151.7	79%	0.786	78%	0.777	S	S	*	*			trans	-116.3	-170.8	-131.4	28.6	-3	0	0	0	114.6
298	S	33.2	Very low	33.3	Very low	97 Å²	97	152 Å²	152	68%	0.678	78%	0.779	S	S	*	*			trans	-82.7	164.4	-177.1	44.2	0	0	0	0	115.9
299	Y	35.8	Very low	34.3	Very low	217 Å²	217	150.1 Å²	150.1	85%	0.851	78%	0.775	S	S	*	*			trans	99.9	154.2	156	-80.9	-67.1	0	0	0	120.3
300	P	50.7	Low	34.4	Very low	119 Å²	119	153.9 Å²	153.9	77%	0.773	79%	0.788	S	S	*	*				-120.4	169.4	-119.3	42.2	-26.7	0	0	0	113.9
301	G	29.8	Very low	34.6	Very low	74 Å²	74	154.5 Å²	154.5	76%	0.763	79%	0.79	S	S	*	*			trans	-150.3	104.1	175.8	0	0	0	0	0	113.1
302	T	32.7	Very low	34.8	Very low	126 Å²	126	148.6 Å²	148.6	77%	0.773	79%	0.791	S	S	*	*			trans	-54.2	134.4	161	43.7	0	0	0	0	111.8
303	W	30.1	Very low	34.7	Very low	257 Å²	257	143.4 Å²	143.4	97%	0.973	80%	0.795	S	S	*	*			trans	-164	130.2	140.6	-82.8	97.8	0	0	0	110.7
304	N	29.7	Very low	34.5	Very low	157 Å²	157	147 Å²	147	84%	0.84	81%	0.807	S	S	*	*			trans	-60.7	150.9	171.9	-74.7	-55.5	0	0	0	112.9
305	R	27.5	Very low	34.6	Very low	240 Å²	240	146.1 Å²	146.1	91%	0.906	81%	0.814	S	S	*	*				166.1	118.1	114.6	-171.3	172.3	-74.4	-178.6	-2.7	114.1
306	A	27.5	Very low	34.4	Very low	81 Å²	81	139.6 Å²	139.6	67%	0.669	81%	0.807	S	S	*	*			trans	32	127.4	137.8	0	0	0	0	0	124.2
307	Y	30.2	Very low	33.7	Very low	223 Å²	223	144.4 Å²	144.4	88%	0.875	81%	0.811	S	S	*	*			trans	45.4	114.3	136.6	-74.6	-84.6	0	0	0	121.6
308	S	31.1	Very low	33.2	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	81%	0.806	S	S	*	*				166.3	159.9	100.1	-88.8	0	0	0	0	113.1
309	P	51.7	Low	33.4	Very low	108 Å²	108	142.6 Å²	142.6	70%	0.701	81%	0.806	S	S	*	*			trans	-95.6	157.6	-154.6	37.2	-32.2	0	0	0	113.1
310	L	30.7	Very low	33.2	Very low	161 Å²	161	137 Å²	137	84%	0.843	80%	0.798	S	S	*	*			trans	-174.6	117.7	147.5	-97.8	146	0	0	0	112
311	R	31.2	Very low	32.5	Very low	232 Å²	232	136.4 Å²	136.4	88%	0.875	80%	0.797	S	S	*	*			trans	54.9	108.6	130.8	-171.7	177.9	-90.3	-111.5	1	119.3
312	G	32	Very low	32.9	Very low	82 Å²	82	139.2 Å²	139.2	85%	0.845	79%	0.794	S	S	*	*				93.6	106.7	124.9	0	0	0	0	0	117.3
313	G	29.6	Very low	33.9	Very low	78 Å²	78	137.2 Å²	137.2	80%	0.804	79%	0.786	S	S	*	*			trans	-177.6	115.4	164.2	0	0	0	0	0	111.4
314	L	35.9	Very low	35.1	Very low	185 Å²	185	130.8 Å²	130.8	97%	0.969	77%	0.77	S	S	*	*			trans	-62.5	149.5	175	-72.8	92.9	0	0	0	111.6
315	G	30.3	Very low	36.9	Very low	82 Å²	82	127.8 Å²	127.8	85%	0.845	76%	0.758	S	S	*	*			trans	120.8	125.7	147.9	0	0	0	0	0	115
316	G	31.1	Very low	39.7	Very low	62 Å²	62	123.2 Å²	123.2	64%	0.639	75%	0.745	S	S	*	*			trans	108.4	69.8	166.3	0	0	0	0	0	113.3	S318	G316-S318 PolarHBondContact O-N 2.89Å
317	Y	31.6	Very low	42.6	Very low	222 Å²	222	123.7 Å²	123.7	87%	0.871	74%	0.739	S	S	*	*			trans	-61.7	84	148.4	35.1	-90.4	0	0	0	107.2	A319	Y317-A319 PolarHBondContact O-N 2.72Å
318	S	36	Very low	45.6	Very low	96 Å²	96	117.5 Å²	117.5	67%	0.671	71%	0.714	S	S	*	*			trans	-66.4	88.8	152.1	51.1	0	0	0	0	105.2	G316 C320	G316-S318 PolarHBondContact O-N 2.89Å; S318-C320 PolarHBondContact O-N 2.99Å
319	A	35.7	Very low	48.6	Very low	83 Å²	83	116.6 Å²	116.6	69%	0.686	70%	0.704	S	S	*	*			trans	-64	77.5	157	0	0	0	0	0	105.9	Y317 S321	Y317-A319 PolarHBondContact O-N 2.72Å; A319-S321 PolarHBondContact O-N 2.96Å
320	C	32	Very low	50.7	Low	100 Å²	100	111.6 Å²	111.6	68%	0.676	67%	0.672	S	S	*	*			trans	-58.9	100.6	151.9	-57.4	0	0	0	0	102.9	S318 N322	S318-C320 PolarHBondContact O-N 2.99Å; C320-N322 PolarHBondContact O-N 3.34Å
321	S	36.3	Very low	53.8	Low	107 Å²	107	106.7 Å²	106.7	75%	0.748	65%	0.651	S	S	*	*			trans	-59.2	81.6	169.1	-42.7	0	0	0	0	106.3	A319 S323	A319-S321 PolarHBondContact O-N 2.96Å; S321-S323 PolarHBondContact O-N 3.23Å
322	N	38.5	Very low	56.9	Low	132 Å²	132	95.9 Å²	95.9	71%	0.706	61%	0.612	S	S	*	*			trans	-59.8	94.3	155.4	-98.5	-24.3	0	0	0	102.9	C320 D324	C320-N322 PolarHBondContact O-N 3.34Å; N322-D324 PolarHBondContact O-N 3.09Å
323	S	52.7	Low	59.9	Low	85 Å²	85	99.2 Å²	99.2	59%	0.594	60%	0.6	S	S	*	*			trans	-60.8	87.5	156.7	54.9	0	0	0	0	103.8	S321 T325	S321-S323 PolarHBondContact O-N 3.23Å; S323-T325 PolarHBondContact O-N 3.46Å
324	D	56.3	Low	63	Low	122 Å²	122	96.2 Å²	96.2	65%	0.652	57%	0.569	S	S	*	*			trans	-58.2	96.8	172.6	-74.9	-33.8	0	0	0	105.1	N322 K326	N322-D324 PolarHBondContact O-N 3.09Å; D324-K326 PolarHBondContact O-N 2.96Å
325	T	67	Low	65.7	Low	94 Å²	94	89.2 Å²	89.2	58%	0.577	54%	0.542	S	S	*	.			trans	-73	75.2	176.1	47.7	0	0	0	0	105.9	D102 S323 T327	D102-T325 WeakPolarHBondContact OD2-CA 3.38Å; D102-T325 WeakPolarHBondContact OD2-CB 3.14Å; D102-T325 WeakPolarHBondContact OD2-CG2 3.48Å; S323-T325 PolarHBondContact O-N 3.46Å; T325-T327 PolarHBondContact O-N 2.97Å
326	K	85.8	Confident	68.8	Low	144 Å²	144	85.9 Å²	85.9	63%	0.626	51%	0.505	S	S	*	.			trans	-67.2	116.3	177.6	-177.2	176.7	-176.7	175.2	0	106.6	I103 D324	I103-K326 HydrophobicContact CD1-CB 4.07Å; I103-K326 HydrophobicContact CG1-CB 4.26Å; I103-K326 WeakPolarHBondContact CG1-O 3.39Å; I103-K326 HydrophobicContact CG2-CB 4.02Å; I103-K326 HydrophobicContact CG2-CD 4.29Å; I103-K326 HydrophobicContact CG2-CG 3.98Å; I103-K326 WeakPolarHBondContact CG2-O 3.48Å; I103-K326 PolarHBondContact N-O 3.4Å; D324-K326 PolarHBondContact O-N 2.96Å
327	T	89.4	Confident	71.8	Confident	91 Å²	91	88.1 Å²	88.1	56%	0.558	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	150.2	173.4	54.6	0	0	0	0	110.2	L101 T325	L101-T327 CarbonylContact O-C 3.54Å; L101-T327 WeakPolarHBondContact O-CA 3.4Å; T325-T327 PolarHBondContact O-N 2.97Å
328	R	93.1	Very high	74.6	Confident	92 Å²	92	80.5 Å²	80.5	35%	0.347	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.2	171.9	68.8	179.8	-174.4	91.5	4.3	109.5	D100 L101 I103 Y105 A330	D100-R328 WeakPolarHBondContact CA-O 3.47Å; L101-R328 PolarHBondContact N-O 3.47Å; L101-R328 PolarHBondContact O-N 3.05Å; L101-R328 VanDerWaalsContact O-O 3.1Å; I103-R328 HydrophobicContact CG2-CB 4.25Å; I103-R328 HydrophobicContact CG2-CG 4.15Å; Y105-R328 PolarHBondContact O-NH2 3.33Å; R328-A330 PolarHBondContact O-N 3.43Å
329	T	94.9	Very high	77.2	Confident	91 Å²	91	78.2 Å²	78.2	56%	0.558	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.2	169.7	-49.8	0	0	0	0	109.3	K98 T99 D100	K98-T329 HydrophobicContact CB-CG2 4.37Å; T99-T329 WeakPolarHBondContact O-CA 3.4Å; D100-T329 WeakPolarHBondContact OD1-CA 2.69Å; D100-T329 PolarHBondContact OD1-OG1 2.86Å
330	A	95.1	Very high	79.3	Confident	2 Å²	2	78 Å²	78	2%	0.017	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.6	174.1	0	0	0	0	0	109.5	K98 T99 L101 F107 R328	K98-A330 WeakPolarHBondContact CA-O 3.44Å; T99-A330 PolarHBondContact N-O 2.93Å; T99-A330 VanDerWaalsContact N-O 3.14Å; T99-A330 PolarHBondContact O-N 2.81Å; L101-A330 HydrophobicContact CB-CB 4.23Å; L101-A330 HydrophobicContact CD1-CB 3.63Å; L101-A330 HydrophobicContact CG-CB 3.95Å; F107-A330 HydrophobicContact CD2-CB 4.21Å; F107-A330 HydrophobicContact CE2-CB 4.4Å; R328-A330 PolarHBondContact O-N 3.43Å
331	S	96.4	Very high	81.8	Confident	59 Å²	59	76.8 Å²	76.8	41%	0.413	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.6	173.4	52	0	0	0	0	110.8	C97	C97-S331 CarbonylContact O-C 3.56Å; C97-S331 VanDerWaalsContact O-CA 3.3Å; C97-S331 WeakPolarHBondContact O-CA 3.47Å
332	G	95.3	Very high	84.3	Confident	5 Å²	5	75.1 Å²	75.1	5%	0.052	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.8	169.9	0	0	0	0	0	109.2	C97	C97-G332 PolarHBondContact N-O 2.87Å; C97-G332 PolarHBondContact O-N 3.32Å
333	Y	95.9	Very high	87	Confident	152 Å²	152	71.8 Å²	71.8	60%	0.596	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.5	177.2	-66.2	-93.2	0	0	0	109.4	W95 E96 T110	W95-Y333 WeakPolarHBondContact O-CA 3.37Å; E96-Y333 HydrophobicContact CB-CD1 3.96Å; E96-Y333 HydrophobicContact CB-CE1 3.69Å; E96-Y333 HydrophobicContact CG-CD1 4.11Å; E96-Y333 HydrophobicContact CG-CE1 3.56Å; E96-Y333 HydrophobicContact CG-CE2 4.41Å; E96-Y333 PolarHBondContact OE1-OH 2.99Å; T110-Y333 VanDerWaalsContact OG1-C 3.27Å; T110-Y333 PolarHBondContact OG1-O 3.37Å
334	G	93.5	Very high	89.2	Confident	15 Å²	15	70.9 Å²	70.9	16%	0.155	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	153	-174.7	0	0	0	0	0	112.7	W95 T110	W95-G334 WeakPolarHBondContact CB-O 3.39Å; W95-G334 PolarHBondContact N-O 3.48Å; W95-G334 PolarHBondContact O-N 3.49Å; T110-G334 VanDerWaalsContact O-CA 3.23Å; T110-G334 WeakPolarHBondContact O-CA 3.36Å
335	G	93.9	Very high	91.3	Very high	38 Å²	38	67.5 Å²	67.5	39%	0.392	35%	0.346	S	S	.	.			trans	-83.7	-172.2	170.4	0	0	0	0	0	112.1	V112	V112-G335 PolarHBondContact N-O 3.08Å; V112-G335 VanDerWaalsContact N-O 3.12Å
336	T	94	Very high	93.1	Very high	12 Å²	12	65.6 Å²	65.6	7%	0.074	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143.2	173.6	-47.8	0	0	0	0	110.7	L39 V93 W95 V112	L39-T336 HydrophobicContact CD1-CG2 4.13Å; L39-T336 HydrophobicContact CD2-CG2 3.67Å; V93-T336 PolarHBondContact O-OG1 3.41Å; W95-T336 PolarHBondContact NE1-OG1 2.9Å; V112-T336 CarbonylContact O-C 3.53Å; V112-T336 VanDerWaalsContact O-CA 3.25Å; V112-T336 WeakPolarHBondContact O-CA 3.43Å
337	R	93.6	Very high	93.6	Very high	109 Å²	109	59.6 Å²	59.6	41%	0.411	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.8	168.7	-172.5	-177.3	74.7	-151.8	-2.1	109.5	V111 V112 S113 C114 E133	V111-R337 HydrophobicContact CG1-CB 3.64Å; V112-R337 PolarHBondContact O-N 3.02Å; S113-R337 WeakPolarHBondContact CA-O 3.18Å; S113-R337 WeakPolarHBondContact CB-O 3.5Å; S113-R337 PolarHBondContact OG-O 3.33Å; C114-R337 PolarHBondContact N-O 2.79Å; E133-R337 IonicContact OE1-CZ 2.82Å; E133-R337 IonicContact OE1-NH1 2.77Å; E133-R337 IonicContact OE1-NH2 3.79Å; E133-R337 PolarHBondContact OE1-NH2 2.99Å; E133-R337 IonicContact OE2-CZ 2.75Å; E133-R337 IonicContact OE2-NH1 2.7Å; E133-R337 PolarHBondContact OE2-NH1 3.11Å; E133-R337 IonicContact OE2-NH2 3.7Å; E133-R337 PolarHBondContact OE2-NH2 3.46Å; E133-R337 VanDerWaalsContact OE2-NH2 3.12Å
338	R	91.6	Very high	94	Very high	61 Å²	61	57 Å²	57	23%	0.23	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141.1	176.6	-61	172.9	-156.5	152.5	16.4	109.7	Y91 D92 C114 S120 E121 D122	Y91-R338 PolarHBondContact O-NH2 3.28Å; Y91-R338 VanDerWaalsContact O-NH2 3.14Å; D92-R338 IonicContact OD1-CZ 3.36Å; D92-R338 IonicContact OD1-NE 3.83Å; D92-R338 IonicContact OD1-NH2 2.77Å; D92-R338 PolarHBondContact OD1-NH2 3.46Å; C114-R338 WeakPolarHBondContact O-CA 3.31Å; S120-R338 WeakPolarHBondContact O-CB 3.45Å; S120-R338 WeakPolarHBondContact O-CD 3.35Å; E121-R338 PolarHBondContact O-NH1 3.01Å; D122-R338 VanDerWaalsContact O-CD 3.25Å; D122-R338 WeakPolarHBondContact O-CD 3.49Å; D122-R338 PolarHBondContact O-NH1 3Å
339	R	90.8	Very high	94.1	Very high	48 Å²	48	53.8 Å²	53.8	18%	0.181	28%	0.28	C	S	.	.			trans	-123.3	0	177.2	58.6	175	176.6	145.8	1.6	110.7	T53 L58 D59 I61 C114 E115 G116 S129	T53-R339 PolarHBondContact OG1-NH2 3.27Å; L58-R339 HydrophobicContact CD1-CB 3.85Å; L58-R339 HydrophobicContact CD1-CG 3.7Å; L58-R339 WeakPolarHBondContact CD1-OXT 3.1Å; D59-R339 PolarHBondContact O-NH1 3.34Å; I61-R339 VanDerWaalsContact CD1-CZ 3.4Å; I61-R339 VanDerWaalsContact CG1-NH1 3.32Å; C114-R339 PolarHBondContact O-N 3.11Å; C114-R339 VanDerWaalsContact O-N 3.12Å; E115-R339 HydrophobicContact CB-CG 4.39Å; G116-R339 PolarHBondContact N-O 3.43Å; S129-R339 PolarHBondContact O-NH2 3.41Å

Retrieved 339 of 339 residues in 45.1 ms (Link to these results)

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