A0A087XBV0_POEFO Loading...

Reticulocalbin-3

Probable molecular chaperone assisting protein biosynthesis and transport in the endoplasmic reticulum. Required for the proper biosynthesis and transport of pulmonary surfactant-associated protein A/SP-A, pulmonary surfactant-associated protein D/SP-D and the lipid transporter ABCA3. By regulating both the proper expression and the degradation through the endoplasmic reticulum-associated protein degradation pathway of these proteins plays a crucial role in pulmonary surfactant homeostasis. Has an anti-fibrotic activity by negatively regulating the secretion of type I and type III collagens. This calcium-binding protein also transiently associates with immature PCSK6 and regulates its secretion.

AlphaFold DB , UniProt , Accession A0A087XBV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	26.4	Very low	27.6	Very low	237 Å²	237	120 Å²	120	100%	1.167	60%	0.599	S	S	*	*				0	48.1	0	-75.2	-171.9	-70.1	0	0	108.9
2	E	26.4	Very low	27.6	Very low	163 Å²	163	116.8 Å²	116.8	76%	0.762	58%	0.584	S	S	*	*			trans	-143.5	14.4	-174.5	-76.4	-161.8	157.3	0	0	113.7
3	H	29.8	Very low	28	Very low	183 Å²	183	110.1 Å²	110.1	85%	0.847	55%	0.55	S	S	*	*			trans	-126.6	17.1	-171.1	-63.2	-53.6	0	0	0	115
4	T	25.4	Very low	28.8	Very low	105 Å²	105	108.9 Å²	108.9	64%	0.644	54%	0.54	S	S	*	.	S	Bend	trans	-99.3	10.9	178.3	42.7	0	0	0	0	113.8
5	L	26.1	Very low	28.7	Very low	120 Å²	120	105.2 Å²	105.2	63%	0.628	53%	0.529	S	S	*	.	S	Bend	trans	-95.8	-7.6	-168	-113.6	134.6	0	0	0	115.6
6	F	31.8	Very low	28.7	Very low	120 Å²	120	104.1 Å²	104.1	53%	0.526	53%	0.529	S	S	.	.	S	Bend	trans	-102.2	-23.8	-161	-100.3	-83.3	0	0	0	116.5	F8 L9 E196	F6-F8 PolarHBondContact O-N 2.94Å; F6-L9 HydrophobicContact CD1-CD1 4.27Å; F6-L9 HydrophobicContact CE1-CD1 4.09Å; F6-L9 PolarHBondContact O-N 3.4Å; F6-E196 VanDerWaalsContact CD1-CD 3.43Å; F6-E196 HydrophobicContact CD1-CG 3.95Å; F6-E196 WeakPolarHBondContact CD1-OE1 3.46Å; F6-E196 HydrophobicContact CE1-CG 3.82Å
7	L	26.8	Very low	28.6	Very low	104 Å²	104	102 Å²	102	55%	0.545	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.6	169.7	-133.9	99.8	0	0	0	112.5	L9	L7-L9 PolarHBondContact O-N 3.07Å
8	F	25.6	Very low	28.3	Very low	37 Å²	37	105.2 Å²	105.2	16%	0.162	55%	0.551	C	S	.	*	H	α-helix	trans	-63.6	-18.4	174.2	-88.6	-91.4	0	0	0	113.4	F6 L10 I11 L12 P22 I25	F6-F8 PolarHBondContact O-N 2.94Å; F8-L10 PolarHBondContact O-N 3.4Å; F8-I11 CarbonylContact O-C 3.52Å; F8-I11 PolarHBondContact O-N 3.14Å; F8-L12 HydrophobicContact CB-CD1 3.78Å; F8-L12 VanDerWaalsContact O-CB 3.22Å; F8-L12 WeakPolarHBondContact O-CB 3.38Å; F8-L12 WeakPolarHBondContact O-CG 3.3Å; F8-L12 PolarHBondContact O-N 2.67Å; F8-P22 HydrophobicContact CZ-CB 4.47Å; F8-I25 HydrophobicContact CE1-CB 4.3Å; F8-I25 HydrophobicContact CE1-CD1 3.41Å; F8-I25 VanDerWaalsContact CE1-CD1 3.41Å; F8-I25 HydrophobicContact CE1-CG1 4.4Å; F8-I25 HydrophobicContact CE1-CG2 4.43Å; F8-I25 HydrophobicContact CZ-CB 3.88Å; F8-I25 HydrophobicContact CZ-CD1 3.64Å; F8-I25 HydrophobicContact CZ-CG1 4.23Å; F8-I25 HydrophobicContact CZ-CG2 4.34Å
9	L	27.5	Very low	28.1	Very low	52 Å²	52	109.8 Å²	109.8	27%	0.272	58%	0.575	S	S	.	*	H	α-helix	trans	-76.1	-21.1	-169.4	-132.9	129.3	0	0	0	114.3	F6 L7	F6-L9 HydrophobicContact CD1-CD1 4.27Å; F6-L9 HydrophobicContact CE1-CD1 4.09Å; F6-L9 PolarHBondContact O-N 3.4Å; L7-L9 PolarHBondContact O-N 3.07Å
10	L	30.2	Very low	27.8	Very low	127 Å²	127	107.4 Å²	107.4	67%	0.665	58%	0.578	S	S	*	*	H	α-helix	trans	-76.2	-30.7	169.7	-105.1	147.4	0	0	0	112	F8	F8-L10 PolarHBondContact O-N 3.4Å
11	I	28.3	Very low	27.6	Very low	72 Å²	72	107 Å²	107	37%	0.369	58%	0.584	S	S	.	*	H	α-helix	trans	-87.8	-24.1	176	-56.9	175.8	0	0	0	111.4	F8 Q13 F14 S15	F8-I11 CarbonylContact O-C 3.52Å; F8-I11 PolarHBondContact O-N 3.14Å; I11-Q13 VanDerWaalsContact C-N 3.32Å; I11-Q13 PolarHBondContact O-N 3.12Å; I11-F14 WeakPolarHBondContact O-CB 3.2Å; I11-F14 PolarHBondContact O-N 2.95Å; I11-S15 PolarHBondContact O-OG 2.98Å
12	L	27.2	Very low	27.7	Very low	81 Å²	81	100.2 Å²	100.2	42%	0.424	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-74.6	-14.4	-177.7	-97	157.4	0	0	0	114.4	F8 F14 S15	F8-L12 HydrophobicContact CB-CD1 3.78Å; F8-L12 VanDerWaalsContact O-CB 3.22Å; F8-L12 WeakPolarHBondContact O-CB 3.38Å; F8-L12 WeakPolarHBondContact O-CG 3.3Å; F8-L12 PolarHBondContact O-N 2.67Å; L12-F14 PolarHBondContact O-N 2.77Å; L12-S15 PolarHBondContact O-N 2.9Å
13	Q	32.9	Very low	27.6	Very low	30 Å²	30	99.3 Å²	99.3	14%	0.14	56%	0.558	C	S	.	*	G	3₁₀ helix	trans	-68.9	-16.8	166.8	-62.4	-157.1	-4	0	0	112.1	I11 T177	I11-Q13 VanDerWaalsContact C-N 3.32Å; I11-Q13 PolarHBondContact O-N 3.12Å; Q13-T177 PolarHBondContact OE1-O 2.8Å
14	F	38.4	Very low	27.5	Very low	94 Å²	94	96.7 Å²	96.7	41%	0.412	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-98	-7	179.3	-68.2	-98.2	0	0	0	114.6	I11 L12 L44 Y96	I11-F14 WeakPolarHBondContact O-CB 3.2Å; I11-F14 PolarHBondContact O-N 2.95Å; L12-F14 PolarHBondContact O-N 2.77Å; F14-L44 HydrophobicContact CD1-CD1 3.56Å; F14-L44 HydrophobicContact CE1-CD1 3.71Å; F14-L44 HydrophobicContact CG-CD1 4.31Å; F14-Y96 AromaticContact CD1-CE1 3.83Å; F14-Y96 HydrophobicContact CD1-CE1 3.83Å; F14-Y96 AromaticContact CD1-CZ 3.8Å; F14-Y96 VanDerWaalsContact CD1-OH 3.26Å; F14-Y96 WeakPolarHBondContact CD1-OH 3.45Å; F14-Y96 AromaticContact CE1-CD1 3.95Å; F14-Y96 HydrophobicContact CE1-CD1 3.95Å; F14-Y96 AromaticContact CE1-CE1 3.15Å; F14-Y96 HydrophobicContact CE1-CE1 3.15Å; F14-Y96 AromaticContact CE1-CZ 3.53Å; F14-Y96 HydrophobicContact CZ-CE1 4.02Å
15	S	27.5	Very low	27.8	Very low	53 Å²	53	93.9 Å²	93.9	37%	0.371	53%	0.526	S	S	.	.			trans	-128.7	38.8	-168.2	56.4	0	0	0	0	115.6	I11 L12 G17	I11-S15 PolarHBondContact O-OG 2.98Å; L12-S15 PolarHBondContact O-N 2.9Å; S15-G17 PolarHBondContact O-N 3.27Å
16	V	29	Very low	28.2	Very low	87 Å²	87	94.1 Å²	94.1	53%	0.527	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	73.5	154.8	-174	0	0	0	0	107.6
17	G	26.9	Very low	28.3	Very low	69 Å²	69	95.8 Å²	95.8	71%	0.711	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	175.5	-17	178.9	0	0	0	0	0	120.2	S15	S15-G17 PolarHBondContact O-N 3.27Å
18	Q	22.6	Very low	28.9	Very low	159 Å²	159	94.6 Å²	94.6	74%	0.743	53%	0.527	S	S	*	.			trans	-140.7	104.6	177.5	-75.3	-170.7	-34.7	0	0	112.5	G20	Q18-G20 PolarHBondContact O-N 3.48Å
19	L	25.5	Very low	29.6	Very low	193 Å²	193	94.7 Å²	94.7	100%	1.01	53%	0.528	S	S	*	.			trans	-72.2	107.6	175.2	-144.3	85.4	0	0	0	109.9
20	G	22	Very low	30.1	Very low	61 Å²	61	98.7 Å²	98.7	63%	0.629	54%	0.541	S	S	*	.			trans	-141.4	134.1	168.5	0	0	0	0	0	109.8	Q18	Q18-G20 PolarHBondContact O-N 3.48Å
21	S	24	Very low	30.5	Very low	100 Å²	100	98.2 Å²	98.2	70%	0.699	54%	0.538	S	S	*	.			trans	-55.8	148.1	-163.3	-48.4	0	0	0	0	115.9	D23	S21-D23 PolarHBondContact O-N 2.97Å
22	P	27.7	Very low	31.8	Very low	94 Å²	94	98.1 Å²	98.1	61%	0.61	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-83.1	-5.6	-165.2	-8	27	0	0	0	116	F8 H24	F8-P22 HydrophobicContact CZ-CB 4.47Å; P22-H24 VanDerWaalsContact C-N 3.34Å; P22-H24 PolarHBondContact O-N 2.99Å
23	D	25.1	Very low	32.6	Very low	145 Å²	145	103.8 Å²	103.8	78%	0.775	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-86	7	-168.1	-85	-19.6	0	0	0	115.1	S21	S21-D23 PolarHBondContact O-N 2.97Å
24	H	26.4	Very low	32.8	Very low	127 Å²	127	109.4 Å²	109.4	59%	0.588	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-129.7	-1.8	-173.5	-73.6	-56	0	0	0	116.6	P22	P22-H24 VanDerWaalsContact C-N 3.34Å; P22-H24 PolarHBondContact O-N 2.99Å
25	I	33.3	Very low	33.4	Very low	47 Å²	47	107 Å²	107	24%	0.241	60%	0.595	C	S	.	*	G	3₁₀ helix	trans	-81.8	-27.2	-168.1	-62.3	167.2	0	0	0	112.2	F8 E27 H29	F8-I25 HydrophobicContact CE1-CB 4.3Å; F8-I25 HydrophobicContact CE1-CD1 3.41Å; F8-I25 VanDerWaalsContact CE1-CD1 3.41Å; F8-I25 HydrophobicContact CE1-CG1 4.4Å; F8-I25 HydrophobicContact CE1-CG2 4.43Å; F8-I25 HydrophobicContact CZ-CB 3.88Å; F8-I25 HydrophobicContact CZ-CD1 3.64Å; F8-I25 HydrophobicContact CZ-CG1 4.23Å; F8-I25 HydrophobicContact CZ-CG2 4.34Å; I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.26Å; I25-H29 WeakPolarHBondContact CG2-NE2 3.09Å; I25-H29 PolarHBondContact O-CD2 3.46Å
26	H	33.5	Very low	34.8	Very low	124 Å²	124	105.6 Å²	105.6	57%	0.574	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-71.5	-22	178.3	-102.9	-65.7	0	0	0	114.9
27	E	33.1	Very low	35.7	Very low	156 Å²	156	103.4 Å²	103.4	73%	0.729	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-92.8	-11.4	-175.9	-77.8	-169.2	158.5	0	0	113.8	I25	I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.26Å
28	D	40	Very low	36.7	Very low	78 Å²	78	104.2 Å²	104.2	42%	0.417	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.7	-10.8	-168.6	-75.5	-19.4	0	0	0	115.3	Y30 N36	D28-Y30 PolarHBondContact O-N 3.07Å; D28-N36 VanDerWaalsContact O-CB 3.24Å; D28-N36 WeakPolarHBondContact O-CB 3.41Å; D28-N36 PolarHBondContact O-ND2 3.11Å
29	H	40.4	Very low	38.1	Very low	40 Å²	40	98.7 Å²	98.7	19%	0.185	53%	0.533	C	S	.	.	S	Bend	trans	-65.7	-26.5	169	-77.7	-73.5	0	0	0	112.7	I25 N36 H39 D40	I25-H29 WeakPolarHBondContact CG2-NE2 3.09Å; I25-H29 PolarHBondContact O-CD2 3.46Å; H29-N36 WeakPolarHBondContact O-CB 3.39Å; H29-N36 PolarHBondContact O-N 3.17Å; H29-H39 AromaticContact CE1-CE1 3.71Å; H29-H39 AromaticContact CE1-ND1 3.64Å; H29-H39 AromaticContact CG-ND1 3.98Å; H29-H39 AromaticContact ND1-CE1 3.97Å; H29-H39 AromaticContact ND1-ND1 3.55Å; H29-H39 AromaticContact NE2-CE1 3.75Å; H29-D40 IonicContact CE1-OD1 2.73Å; H29-D40 PolarHBondContact CE1-OD1 3.33Å; H29-D40 IonicContact CG-OD1 2.77Å; H29-D40 IonicContact ND1-OD1 3.68Å; H29-D40 PolarHBondContact ND1-OD1 2.93Å
30	Y	38.9	Very low	39.2	Very low	136 Å²	136	90.3 Å²	90.3	53%	0.533	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.1	175	-68.4	-89.8	0	0	0	108.7	D28 G32 Q34 H35	D28-Y30 PolarHBondContact O-N 3.07Å; Y30-G32 VanDerWaalsContact C-N 3.34Å; Y30-G32 PolarHBondContact O-N 3.07Å; Y30-G32 VanDerWaalsContact O-N 3.14Å; Y30-Q34 CarbonylContact C-O 3.43Å; Y30-Q34 VanDerWaalsContact CA-O 3.27Å; Y30-Q34 WeakPolarHBondContact CA-O 3.24Å; Y30-H35 HydrophobicContact CE1-CB 4.32Å
31	I	37.5	Very low	40.4	Very low	117 Å²	117	87.8 Å²	87.8	60%	0.6	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	85.3	168.9	-59	175	0	0	0	107	Q34 N36	I31-Q34 PolarHBondContact N-O 3.38Å; I31-N36 HydrophobicContact CG1-CB 4.25Å
32	G	55.8	Low	41.5	Very low	70 Å²	70	85 Å²	85	72%	0.722	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-116.8	-172.8	0	0	0	0	0	112.2	Y30	Y30-G32 VanDerWaalsContact C-N 3.34Å; Y30-G32 PolarHBondContact O-N 3.07Å; Y30-G32 VanDerWaalsContact O-N 3.14Å
33	E	43.4	Very low	42.5	Very low	199 Å²	199	83.7 Å²	83.7	93%	0.93	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	8.5	178.5	-65.2	-179.3	176.6	0	0	112.8
34	Q	37.3	Very low	43.4	Very low	148 Å²	148	78.9 Å²	78.9	69%	0.692	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.7	-176.6	-71.1	-174	-36.3	0	0	111	Y30 I31	Y30-Q34 CarbonylContact C-O 3.43Å; Y30-Q34 VanDerWaalsContact CA-O 3.27Å; Y30-Q34 WeakPolarHBondContact CA-O 3.24Å; I31-Q34 PolarHBondContact N-O 3.38Å
35	H	51.4	Low	44.3	Very low	43 Å²	43	73.5 Å²	73.5	20%	0.199	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	138.9	174	-171.7	-99.1	0	0	0	110.6	Y30 P37 D40	Y30-H35 HydrophobicContact CE1-CB 4.32Å; H35-P37 VanDerWaalsContact C-CD 3.44Å; H35-P37 WeakPolarHBondContact O-CD 3.49Å; H35-D40 IonicContact CE1-OD2 3.73Å; H35-D40 PolarHBondContact CE1-OD2 3.47Å; H35-D40 IonicContact ND1-OD2 3.57Å; H35-D40 IonicContact NE2-OD2 4Å; H35-D40 PolarHBondContact NE2-OD2 2.99Å
36	N	56.1	Low	44.9	Very low	24 Å²	24	72 Å²	72	13%	0.128	39%	0.386	C	S	.	.			trans	-108.1	79.7	-178.4	-172.8	6.1	0	0	0	111.9	D28 H29 I31 D38 H39 D40	D28-N36 VanDerWaalsContact O-CB 3.24Å; D28-N36 WeakPolarHBondContact O-CB 3.41Å; D28-N36 PolarHBondContact O-ND2 3.11Å; H29-N36 WeakPolarHBondContact O-CB 3.39Å; H29-N36 PolarHBondContact O-N 3.17Å; I31-N36 HydrophobicContact CG1-CB 4.25Å; N36-D38 PolarHBondContact O-N 3.14Å; N36-D38 VanDerWaalsContact O-N 3.08Å; N36-H39 HydrophobicContact CB-CB 4.27Å; N36-H39 WeakPolarHBondContact ND2-CB 3.41Å; N36-H39 PolarHBondContact O-N 2.84Å; N36-D40 PolarHBondContact O-N 3.42Å
37	P	48.8	Very low	45.4	Very low	41 Å²	41	72.2 Å²	72.2	27%	0.266	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-20.9	-175.9	25.4	-34.6	0	0	0	113.6	H35 M41 N294	H35-P37 VanDerWaalsContact C-CD 3.44Å; H35-P37 WeakPolarHBondContact O-CD 3.49Å; P37-M41 WeakPolarHBondContact O-CB 3.23Å; P37-M41 PolarHBondContact O-N 3.37Å; P37-N294 HydrophobicContact CB-CB 4.14Å
38	D	48.7	Very low	46	Very low	86 Å²	86	71.9 Å²	71.9	46%	0.46	39%	0.386	S	S	.	.	H	α-helix	trans	-71.3	-33.2	175.6	-80.5	-35.2	0	0	0	112.4	N36 M41 A42	N36-D38 PolarHBondContact O-N 3.14Å; N36-D38 VanDerWaalsContact O-N 3.08Å; D38-M41 WeakPolarHBondContact OD1-CE 3.24Å; D38-A42 WeakPolarHBondContact O-CB 3.3Å; D38-A42 PolarHBondContact O-N 3.33Å; D38-A42 VanDerWaalsContact O-N 3.12Å
39	H	52.4	Low	46.2	Very low	44 Å²	44	70.2 Å²	70.2	20%	0.204	38%	0.381	C	S	.	.	H	α-helix	trans	-73.2	-44.9	176.5	178	-89.8	0	0	0	110.7	H29 N36 M41 A42 A43	H29-H39 AromaticContact CE1-CE1 3.71Å; H29-H39 AromaticContact CE1-ND1 3.64Å; H29-H39 AromaticContact CG-ND1 3.98Å; H29-H39 AromaticContact ND1-CE1 3.97Å; H29-H39 AromaticContact ND1-ND1 3.55Å; H29-H39 AromaticContact NE2-CE1 3.75Å; N36-H39 HydrophobicContact CB-CB 4.27Å; N36-H39 WeakPolarHBondContact ND2-CB 3.41Å; N36-H39 PolarHBondContact O-N 2.84Å; H39-M41 VanDerWaalsContact C-N 3.35Å; H39-M41 PolarHBondContact O-N 2.84Å; H39-A42 PolarHBondContact O-N 3Å; H39-A43 VanDerWaalsContact O-CB 3.29Å; H39-A43 WeakPolarHBondContact O-CB 3.3Å; H39-A43 PolarHBondContact O-N 3.01Å
40	D	47.3	Very low	46.7	Very low	17 Å²	17	69.1 Å²	69.1	9%	0.091	38%	0.377	C	S	.	.	H	α-helix	trans	-64.5	-42.4	179.5	-53.3	-39.1	0	0	0	111	H29 H35 N36 A42 A43 L44 Y300	H29-D40 IonicContact CE1-OD1 2.73Å; H29-D40 PolarHBondContact CE1-OD1 3.33Å; H29-D40 IonicContact CG-OD1 2.77Å; H29-D40 IonicContact ND1-OD1 3.68Å; H29-D40 PolarHBondContact ND1-OD1 2.93Å; H35-D40 IonicContact CE1-OD2 3.73Å; H35-D40 PolarHBondContact CE1-OD2 3.47Å; H35-D40 IonicContact ND1-OD2 3.57Å; H35-D40 IonicContact NE2-OD2 4Å; H35-D40 PolarHBondContact NE2-OD2 2.99Å; N36-D40 PolarHBondContact O-N 3.42Å; D40-A42 PolarHBondContact O-N 3.37Å; D40-A43 PolarHBondContact O-N 3.04Å; D40-L44 WeakPolarHBondContact O-CB 3.38Å; D40-L44 PolarHBondContact O-N 3.46Å; D40-Y300 HydrophobicContact CB-CE1 3.79Å
41	M	47.7	Very low	47.3	Very low	7 Å²	7	70 Å²	70	3%	0.034	38%	0.379	C	S	.	.	H	α-helix	trans	-61.7	-42.2	174	-177.4	-173.4	44.6	0	0	112.4	P37 D38 H39 L45 T50 I53 Y300	P37-M41 WeakPolarHBondContact O-CB 3.23Å; P37-M41 PolarHBondContact O-N 3.37Å; D38-M41 WeakPolarHBondContact OD1-CE 3.24Å; H39-M41 VanDerWaalsContact C-N 3.35Å; H39-M41 PolarHBondContact O-N 2.84Å; M41-L45 HydrophobicContact CG-CD1 3.77Å; M41-L45 HydrophobicContact CG-CG 4.25Å; M41-L45 VanDerWaalsContact O-CB 3.22Å; M41-L45 WeakPolarHBondContact O-CB 3.25Å; M41-L45 WeakPolarHBondContact O-CG 2.84Å; M41-L45 PolarHBondContact O-N 2.64Å; M41-T50 HydrophobicContact CB-CG2 4.48Å; M41-T50 HydrophobicContact CE-CG2 4.04Å; M41-T50 HydrophobicContact CG-CG2 3.48Å; M41-T50 VanDerWaalsContact CG-CG2 3.48Å; M41-T50 HydrophobicContact SD-CG2 3.77Å; M41-I53 HydrophobicContact SD-CD1 4.49Å; M41-Y300 HydrophobicContact CB-CD1 4.01Å; M41-Y300 HydrophobicContact CB-CG 4.16Å
42	A	46.6	Very low	48.1	Very low	41 Å²	41	69.1 Å²	69.1	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-71.3	-36.6	178.8	0	0	0	0	0	112.5	D38 H39 D40 G46	D38-A42 WeakPolarHBondContact O-CB 3.3Å; D38-A42 PolarHBondContact O-N 3.33Å; D38-A42 VanDerWaalsContact O-N 3.12Å; H39-A42 PolarHBondContact O-N 3Å; D40-A42 PolarHBondContact O-N 3.37Å; A42-G46 VanDerWaalsContact O-CA 3.29Å; A42-G46 WeakPolarHBondContact O-CA 3.36Å; A42-G46 PolarHBondContact O-N 3.01Å; A42-G46 VanDerWaalsContact O-N 3.08Å
43	A	48.7	Very low	48	Very low	67 Å²	67	66.2 Å²	66.2	55%	0.554	34%	0.341	S	S	*	.	H	α-helix	trans	-69.2	-36.7	176.6	0	0	0	0	0	112.2	H39 D40	H39-A43 VanDerWaalsContact O-CB 3.29Å; H39-A43 WeakPolarHBondContact O-CB 3.3Å; H39-A43 PolarHBondContact O-N 3.01Å; D40-A43 PolarHBondContact O-N 3.04Å
44	L	43.9	Very low	48.7	Very low	45 Å²	45	64 Å²	64	24%	0.236	33%	0.328	C	S	.	.	H	α-helix	trans	-87.3	-38.8	-176.9	-168.1	73.2	0	0	0	113.6	F14 D40 D299 Y300	F14-L44 HydrophobicContact CD1-CD1 3.56Å; F14-L44 HydrophobicContact CE1-CD1 3.71Å; F14-L44 HydrophobicContact CG-CD1 4.31Å; D40-L44 WeakPolarHBondContact O-CB 3.38Å; D40-L44 PolarHBondContact O-N 3.46Å; L44-D299 WeakPolarHBondContact CD2-OD1 3.35Å; L44-Y300 HydrophobicContact CD2-CD2 3.52Å; L44-Y300 HydrophobicContact CD2-CE2 3.56Å
45	L	45.2	Very low	49.8	Very low	13 Å²	13	64.7 Å²	64.7	7%	0.068	33%	0.331	C	S	.	.	H	α-helix	trans	-104.6	-16.9	-172.2	-49.7	-171.8	0	0	0	113.7	M41 S49 T50 I53 R302	M41-L45 HydrophobicContact CG-CD1 3.77Å; M41-L45 HydrophobicContact CG-CG 4.25Å; M41-L45 VanDerWaalsContact O-CB 3.22Å; M41-L45 WeakPolarHBondContact O-CB 3.25Å; M41-L45 WeakPolarHBondContact O-CG 2.84Å; M41-L45 PolarHBondContact O-N 2.64Å; L45-S49 WeakPolarHBondContact O-CB 3.49Å; L45-S49 PolarHBondContact O-OG 2.79Å; L45-T50 HydrophobicContact CB-CG2 4.3Å; L45-I53 HydrophobicContact CD1-CD1 3.6Å; L45-R302 HydrophobicContact CD2-CB 4.3Å
46	G	45.9	Very low	50.5	Low	15 Å²	15	64.5 Å²	64.5	16%	0.155	33%	0.332	C	S	.	.	H	α-helix	trans	73.5	158.6	-170	0	0	0	0	0	114	A42 E48 T50	A42-G46 VanDerWaalsContact O-CA 3.29Å; A42-G46 WeakPolarHBondContact O-CA 3.36Å; A42-G46 PolarHBondContact O-N 3.01Å; A42-G46 VanDerWaalsContact O-N 3.08Å; G46-E48 PolarHBondContact O-N 3.4Å; G46-E48 VanDerWaalsContact O-N 3.1Å; G46-T50 WeakPolarHBondContact O-CG2 3.48Å; G46-T50 PolarHBondContact O-N 3.24Å; G46-T50 PolarHBondContact O-OG1 3.29Å
47	E	45.3	Very low	51.5	Low	129 Å²	129	65.6 Å²	65.6	60%	0.603	34%	0.341	S	S	*	.	H	α-helix	trans	-61.5	-19.9	-176.3	-75.1	-165.2	-176.8	0	0	115.2	T50 R51	E47-T50 VanDerWaalsContact C-OG1 3.25Å; E47-T50 VanDerWaalsContact CA-OG1 3.31Å; E47-T50 WeakPolarHBondContact CA-OG1 3.36Å; E47-T50 PolarHBondContact O-OG1 3.14Å; E47-R51 WeakPolarHBondContact O-CD 3.42Å; E47-R51 VanDerWaalsContact O-CG 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.45Å; E47-R51 IonicContact OE2-CZ 3.81Å; E47-R51 IonicContact OE2-NH2 3.7Å; E47-R51 PolarHBondContact OE2-NH2 3.42Å
48	E	44.9	Very low	52.9	Low	149 Å²	149	68 Å²	68	70%	0.696	36%	0.357	S	S	*	.	H	α-helix	trans	-82.3	-49.4	-176.5	-163.2	163.3	-164.5	0	0	111.1	G46 T50 R51 E52	G46-E48 PolarHBondContact O-N 3.4Å; G46-E48 VanDerWaalsContact O-N 3.1Å; E48-T50 VanDerWaalsContact C-N 3.31Å; E48-T50 PolarHBondContact O-N 2.82Å; E48-R51 WeakPolarHBondContact O-CB 3.37Å; E48-R51 PolarHBondContact O-N 2.75Å; E48-R51 VanDerWaalsContact O-N 3.07Å; E48-E52 PolarHBondContact O-N 3.49Å
49	S	44.3	Very low	54.4	Low	44 Å²	44	69.3 Å²	69.3	31%	0.308	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-38.8	175.1	-45.1	0	0	0	0	112.2	L45 R51 E52 I53	L45-S49 WeakPolarHBondContact O-CB 3.49Å; L45-S49 PolarHBondContact O-OG 2.79Å; S49-R51 VanDerWaalsContact C-N 3.27Å; S49-R51 PolarHBondContact O-N 3.47Å; S49-E52 PolarHBondContact O-N 3.2Å; S49-I53 WeakPolarHBondContact O-CG1 3.48Å; S49-I53 PolarHBondContact O-N 3Å; S49-I53 VanDerWaalsContact O-N 3.12Å
50	T	49.7	Very low	55.6	Low	17 Å²	17	71.9 Å²	71.9	10%	0.104	38%	0.38	C	S	.	.	H	α-helix	trans	-64.5	-27.7	175.5	53.3	0	0	0	0	113.9	M41 L45 G46 E47 E48	M41-T50 HydrophobicContact CB-CG2 4.48Å; M41-T50 HydrophobicContact CE-CG2 4.04Å; M41-T50 HydrophobicContact CG-CG2 3.48Å; M41-T50 VanDerWaalsContact CG-CG2 3.48Å; M41-T50 HydrophobicContact SD-CG2 3.77Å; L45-T50 HydrophobicContact CB-CG2 4.3Å; G46-T50 WeakPolarHBondContact O-CG2 3.48Å; G46-T50 PolarHBondContact O-N 3.24Å; G46-T50 PolarHBondContact O-OG1 3.29Å; E47-T50 VanDerWaalsContact C-OG1 3.25Å; E47-T50 VanDerWaalsContact CA-OG1 3.31Å; E47-T50 WeakPolarHBondContact CA-OG1 3.36Å; E47-T50 PolarHBondContact O-OG1 3.14Å; E48-T50 VanDerWaalsContact C-N 3.31Å; E48-T50 PolarHBondContact O-N 2.82Å
51	R	53	Low	56.8	Low	154 Å²	154	73 Å²	73	58%	0.581	39%	0.385	S	S	*	.	H	α-helix	trans	-75.2	-39.6	173.4	-73.1	171.4	-173.7	153.4	13.4	111.3	E47 E48 S49 I53 K54	E47-R51 WeakPolarHBondContact O-CD 3.42Å; E47-R51 VanDerWaalsContact O-CG 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.45Å; E47-R51 IonicContact OE2-CZ 3.81Å; E47-R51 IonicContact OE2-NH2 3.7Å; E47-R51 PolarHBondContact OE2-NH2 3.42Å; E48-R51 WeakPolarHBondContact O-CB 3.37Å; E48-R51 PolarHBondContact O-N 2.75Å; E48-R51 VanDerWaalsContact O-N 3.07Å; S49-R51 VanDerWaalsContact C-N 3.27Å; S49-R51 PolarHBondContact O-N 3.47Å; R51-I53 VanDerWaalsContact C-N 3.33Å; R51-I53 PolarHBondContact O-N 3.24Å; R51-K54 PolarHBondContact O-N 3.34Å
52	E	53.3	Low	58.3	Low	99 Å²	99	78.7 Å²	78.7	46%	0.463	41%	0.406	S	S	.	.	H	α-helix	trans	-65.8	-32.7	178.1	-65.3	-175.9	173.8	0	0	112.4	E48 S49 K54 E55 Q305	E48-E52 PolarHBondContact O-N 3.49Å; S49-E52 PolarHBondContact O-N 3.2Å; E52-K54 PolarHBondContact O-N 3.28Å; E52-E55 WeakPolarHBondContact O-CB 3.39Å; E52-E55 PolarHBondContact O-N 3.21Å; E52-E55 VanDerWaalsContact O-N 3.09Å; E52-Q305 PolarHBondContact O-NE2 3.34Å
53	I	54.2	Low	60	Low	9 Å²	9	84.5 Å²	84.5	5%	0.046	42%	0.423	C	S	.	.	H	α-helix	trans	-63.6	-33.8	177.3	-67.7	167.6	0	0	0	110.8	M41 L45 S49 R51 E55 Q61 Y300 Q305	M41-I53 HydrophobicContact SD-CD1 4.49Å; L45-I53 HydrophobicContact CD1-CD1 3.6Å; S49-I53 WeakPolarHBondContact O-CG1 3.48Å; S49-I53 PolarHBondContact O-N 3Å; S49-I53 VanDerWaalsContact O-N 3.12Å; R51-I53 VanDerWaalsContact C-N 3.33Å; R51-I53 PolarHBondContact O-N 3.24Å; I53-E55 PolarHBondContact O-N 3.03Å; I53-Q61 PolarHBondContact O-NE2 3.03Å; I53-Y300 VanDerWaalsContact CD1-O 3.26Å; I53-Y300 WeakPolarHBondContact CD1-O 3.27Å; I53-Q305 HydrophobicContact CG1-CG 4.24Å; I53-Q305 VanDerWaalsContact CG1-NE2 3.34Å
54	K	57.3	Low	61.3	Low	152 Å²	152	84.2 Å²	84.2	66%	0.661	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.9	177.4	-66.5	177.5	-178.9	175.8	0	113.4	R51 E52	R51-K54 PolarHBondContact O-N 3.34Å; E52-K54 PolarHBondContact O-N 3.28Å
55	E	62.3	Low	63.1	Low	163 Å²	163	82 Å²	82	76%	0.762	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-16.1	179.6	-63	-161.1	154.9	0	0	114.4	E52 I53	E52-E55 WeakPolarHBondContact O-CB 3.39Å; E52-E55 PolarHBondContact O-N 3.21Å; E52-E55 VanDerWaalsContact O-N 3.09Å; I53-E55 PolarHBondContact O-N 3.03Å
56	L	65.6	Low	65	Low	39 Å²	39	83.7 Å²	83.7	20%	0.204	41%	0.406	C	S	.	.	S	Bend	trans	-68.8	140.9	177.2	-68.9	171.3	0	0	0	111.6	Q61 L304	L56-Q61 HydrophobicContact CB-CG 3.63Å; L56-Q61 HydrophobicContact CD1-CG 4.34Å; L56-Q61 PolarHBondContact O-NE2 2.92Å; L56-L304 HydrophobicContact CD1-CB 4.37Å; L56-L304 WeakPolarHBondContact CD1-O 3.47Å
57	S	77.6	Confident	66.8	Low	46 Å²	46	85 Å²	85	32%	0.322	42%	0.416	S	S	.	.			trans	-67.9	150.1	174.7	74	0	0	0	0	111.1	T59 E60 Q61	S57-T59 PolarHBondContact O-N 3.38Å; S57-E60 VanDerWaalsContact CB-OE2 3.3Å; S57-E60 WeakPolarHBondContact CB-OE2 3.37Å; S57-E60 PolarHBondContact N-OE2 2.81Å; S57-E60 VanDerWaalsContact N-OE2 3.12Å; S57-E60 PolarHBondContact O-N 2.83Å; S57-E60 VanDerWaalsContact OG-CD 3.31Å; S57-E60 WeakPolarHBondContact OG-CG 3.48Å; S57-E60 PolarHBondContact OG-N 2.85Å; S57-E60 PolarHBondContact OG-OE2 3.18Å; S57-Q61 PolarHBondContact O-N 3.46Å
58	P	77.6	Confident	68.6	Low	93 Å²	93	79.3 Å²	79.3	60%	0.604	39%	0.39	S	S	*	.	H	α-helix	trans	-56.6	-22.8	178.4	-27.5	34.3	0	0	0	114.3	R62	P58-R62 WeakPolarHBondContact O-CB 3.46Å; P58-R62 PolarHBondContact O-N 3.13Å
59	T	79.1	Confident	70.6	Confident	112 Å²	112	72.5 Å²	72.5	69%	0.687	36%	0.358	S	S	*	.	H	α-helix	trans	-78.5	-37.4	177.3	-54.8	0	0	0	0	111.6	S57 K63	S57-T59 PolarHBondContact O-N 3.38Å; T59-K63 PolarHBondContact O-N 3.03Å; T59-K63 VanDerWaalsContact O-N 3.07Å
60	E	78.4	Confident	72.7	Confident	99 Å²	99	77.4 Å²	77.4	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-72.9	-43.2	177.3	-72.2	162.4	142.1	0	0	111.3	S57 R62 K63 K64	S57-E60 VanDerWaalsContact CB-OE2 3.3Å; S57-E60 WeakPolarHBondContact CB-OE2 3.37Å; S57-E60 PolarHBondContact N-OE2 2.81Å; S57-E60 VanDerWaalsContact N-OE2 3.12Å; S57-E60 PolarHBondContact O-N 2.83Å; S57-E60 VanDerWaalsContact OG-CD 3.31Å; S57-E60 WeakPolarHBondContact OG-CG 3.48Å; S57-E60 PolarHBondContact OG-N 2.85Å; S57-E60 PolarHBondContact OG-OE2 3.18Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 2.97Å; E60-K63 PolarHBondContact O-N 3.02Å; E60-K63 VanDerWaalsContact O-N 3.14Å; E60-K64 WeakPolarHBondContact O-CG 3.25Å; E60-K64 PolarHBondContact O-N 2.67Å
61	Q	72.8	Confident	74.6	Confident	41 Å²	41	82.9 Å²	82.9	19%	0.192	40%	0.399	C	S	.	.	H	α-helix	trans	-54.4	-48.7	172.5	-70.5	177.2	-14.7	0	0	110.6	I53 L56 S57 K63 K64 M65 I293	I53-Q61 PolarHBondContact O-NE2 3.03Å; L56-Q61 HydrophobicContact CB-CG 3.63Å; L56-Q61 HydrophobicContact CD1-CG 4.34Å; L56-Q61 PolarHBondContact O-NE2 2.92Å; S57-Q61 PolarHBondContact O-N 3.46Å; Q61-K63 PolarHBondContact O-N 3.24Å; Q61-K64 PolarHBondContact O-N 2.89Å; Q61-M65 VanDerWaalsContact O-CB 3.23Å; Q61-M65 WeakPolarHBondContact O-CB 3.45Å; Q61-M65 PolarHBondContact O-N 3.49Å; Q61-I293 HydrophobicContact CB-CD1 4.28Å
62	R	79.3	Confident	76.3	Confident	125 Å²	125	75.6 Å²	75.6	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-43.1	176.6	-173	-179.8	-61.9	177.4	2.8	112.8	P58 E60 M66 L286	P58-R62 WeakPolarHBondContact O-CB 3.46Å; P58-R62 PolarHBondContact O-N 3.13Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 2.97Å; R62-M66 VanDerWaalsContact O-CG 3.3Å; R62-M66 WeakPolarHBondContact O-CG 3.44Å; R62-M66 PolarHBondContact O-N 2.97Å; R62-L286 HydrophobicContact CG-CD2 3.93Å
63	K	81.6	Confident	78.1	Confident	163 Å²	163	72.2 Å²	72.2	71%	0.709	36%	0.356	S	S	*	.	H	α-helix	trans	-62.9	-45.2	179.7	-175.7	-174.2	174.4	-167.6	0	111.2	T59 E60 Q61 M66 A67	T59-K63 PolarHBondContact O-N 3.03Å; T59-K63 VanDerWaalsContact O-N 3.07Å; E60-K63 PolarHBondContact O-N 3.02Å; E60-K63 VanDerWaalsContact O-N 3.14Å; Q61-K63 PolarHBondContact O-N 3.24Å; K63-M66 PolarHBondContact O-N 3.26Å; K63-A67 PolarHBondContact O-N 3.26Å
64	K	76.7	Confident	79.8	Confident	61 Å²	61	77.1 Å²	77.1	27%	0.265	39%	0.387	S	S	.	.	H	α-helix	trans	-70	-40.3	180	-68.3	-169.9	179	-165.3	0	111.7	E60 Q61 M66 A67 V68 L304	E60-K64 WeakPolarHBondContact O-CG 3.25Å; E60-K64 PolarHBondContact O-N 2.67Å; Q61-K64 PolarHBondContact O-N 2.89Å; K64-M66 VanDerWaalsContact C-N 3.34Å; K64-M66 PolarHBondContact O-N 3.44Å; K64-A67 WeakPolarHBondContact O-CB 3.15Å; K64-A67 PolarHBondContact O-N 3.25Å; K64-A67 VanDerWaalsContact O-N 3.11Å; K64-V68 PolarHBondContact O-N 3.43Å; K64-V68 VanDerWaalsContact O-N 3.07Å; K64-L304 HydrophobicContact CB-CB 4.45Å; K64-L304 HydrophobicContact CB-CD2 3.63Å; K64-L304 HydrophobicContact CD-CB 4.35Å; K64-L304 WeakPolarHBondContact CD-O 3.33Å; K64-L304 VanDerWaalsContact CE-O 3.25Å; K64-L304 WeakPolarHBondContact CE-O 3.49Å; K64-L304 PolarHBondContact NZ-O 2.91Å
65	M	81.8	Confident	81.4	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-57.1	-45.7	172.4	-173.7	-172.6	74.1	0	0	111.7	Q61 A67 V68 V69 V285 L286 Q289 F292 I293	Q61-M65 VanDerWaalsContact O-CB 3.23Å; Q61-M65 WeakPolarHBondContact O-CB 3.45Å; Q61-M65 PolarHBondContact O-N 3.49Å; M65-A67 VanDerWaalsContact C-N 3.29Å; M65-A67 PolarHBondContact O-N 3.45Å; M65-V68 WeakPolarHBondContact O-CB 3.35Å; M65-V68 PolarHBondContact O-N 2.92Å; M65-V68 VanDerWaalsContact O-N 3.07Å; M65-V69 WeakPolarHBondContact O-CG2 3.33Å; M65-V69 PolarHBondContact O-N 3.33Å; M65-V285 HydrophobicContact CE-CG1 3.89Å; M65-V285 HydrophobicContact CG-CG1 4.36Å; M65-V285 HydrophobicContact SD-CG1 3.93Å; M65-L286 HydrophobicContact CE-CD2 3.69Å; M65-L286 HydrophobicContact CE-CG 4.41Å; M65-Q289 HydrophobicContact CE-CG 3.82Å; M65-Q289 HydrophobicContact SD-CB 4.29Å; M65-Q289 HydrophobicContact SD-CG 3.89Å; M65-F292 HydrophobicContact CG-CD1 3.48Å; M65-F292 VanDerWaalsContact CG-CD1 3.48Å; M65-F292 HydrophobicContact CG-CE1 3.66Å; M65-F292 HydrophobicContact CG-CG 4.49Å; M65-F292 HydrophobicContact SD-CB 4.49Å; M65-F292 HydrophobicContact SD-CD1 3.94Å; M65-F292 HydrophobicContact SD-CG 4.47Å; M65-I293 HydrophobicContact SD-CD1 4.49Å; M65-I293 HydrophobicContact SD-CG1 4.31Å
66	M	85.1	Confident	82.9	Confident	47 Å²	47	68.9 Å²	68.9	23%	0.232	37%	0.367	C	S	.	.	H	α-helix	trans	-63.8	-34.4	176.7	-72.2	-55.7	-48.8	0	0	112.8	R62 K63 K64 V68 V69 E70 V282 L286	R62-M66 VanDerWaalsContact O-CG 3.3Å; R62-M66 WeakPolarHBondContact O-CG 3.44Å; R62-M66 PolarHBondContact O-N 2.97Å; K63-M66 PolarHBondContact O-N 3.26Å; K64-M66 VanDerWaalsContact C-N 3.34Å; K64-M66 PolarHBondContact O-N 3.44Å; M66-V68 VanDerWaalsContact C-N 3.27Å; M66-V68 PolarHBondContact O-N 3.09Å; M66-V69 HydrophobicContact CE-CB 4.5Å; M66-V69 HydrophobicContact CE-CG1 4.39Å; M66-V69 PolarHBondContact O-N 3.08Å; M66-E70 WeakPolarHBondContact O-CG 3.48Å; M66-E70 PolarHBondContact O-N 3.32Å; M66-V282 HydrophobicContact CE-CG1 3.68Å; M66-V282 HydrophobicContact CE-CG2 4.47Å; M66-V282 HydrophobicContact SD-CG1 3.96Å; M66-L286 HydrophobicContact SD-CD2 4.24Å; M66-L286 HydrophobicContact SD-CG 4.46Å
67	A	83.3	Confident	84.2	Confident	43 Å²	43	70.6 Å²	70.6	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-67	-30.2	174.1	0	0	0	0	0	112.3	K63 K64 M65 K71	K63-A67 PolarHBondContact O-N 3.26Å; K64-A67 WeakPolarHBondContact O-CB 3.15Å; K64-A67 PolarHBondContact O-N 3.25Å; K64-A67 VanDerWaalsContact O-N 3.11Å; M65-A67 VanDerWaalsContact C-N 3.29Å; M65-A67 PolarHBondContact O-N 3.45Å; A67-K71 WeakPolarHBondContact O-CG 3.37Å; A67-K71 PolarHBondContact O-N 3.45Å
68	V	83.1	Confident	84.9	Confident	10 Å²	10	75.7 Å²	75.7	6%	0.061	39%	0.393	C	S	.	.	H	α-helix	trans	-70.5	-47.7	172	173.5	0	0	0	0	110.4	K64 M65 M66 E70 K71 I72 W88 F292 V297 T298 L304	K64-V68 PolarHBondContact O-N 3.43Å; K64-V68 VanDerWaalsContact O-N 3.07Å; M65-V68 WeakPolarHBondContact O-CB 3.35Å; M65-V68 PolarHBondContact O-N 2.92Å; M65-V68 VanDerWaalsContact O-N 3.07Å; M66-V68 VanDerWaalsContact C-N 3.27Å; M66-V68 PolarHBondContact O-N 3.09Å; V68-E70 VanDerWaalsContact C-N 3.26Å; V68-E70 PolarHBondContact O-N 3.12Å; V68-K71 WeakPolarHBondContact O-CA 3.45Å; V68-K71 WeakPolarHBondContact O-CB 3.32Å; V68-K71 PolarHBondContact O-N 3.09Å; V68-I72 HydrophobicContact CG1-CD1 3.81Å; V68-I72 HydrophobicContact CG1-CG1 4.34Å; V68-I72 WeakPolarHBondContact O-CG1 3.36Å; V68-I72 PolarHBondContact O-N 3.4Å; V68-W88 HydrophobicContact CG1-CZ2 4.02Å; V68-F292 HydrophobicContact CG1-CE1 4.23Å; V68-F292 HydrophobicContact CG1-CZ 4.31Å; V68-V297 HydrophobicContact CG1-CG1 3.94Å; V68-T298 HydrophobicContact CG1-CG2 4.35Å; V68-L304 HydrophobicContact CG2-CD2 4.29Å
69	V	87.6	Confident	85.7	Confident	6 Å²	6	73.5 Å²	73.5	4%	0.036	38%	0.376	C	S	.	.	H	α-helix	trans	-52.9	-44.3	174.8	171.8	0	0	0	0	111.6	M65 M66 K71 I72 D73 L80 V282 V285 F292	M65-V69 WeakPolarHBondContact O-CG2 3.33Å; M65-V69 PolarHBondContact O-N 3.33Å; M66-V69 HydrophobicContact CE-CB 4.5Å; M66-V69 HydrophobicContact CE-CG1 4.39Å; M66-V69 PolarHBondContact O-N 3.08Å; V69-K71 VanDerWaalsContact C-N 3.26Å; V69-K71 PolarHBondContact O-N 3.34Å; V69-I72 PolarHBondContact O-N 3.25Å; V69-D73 PolarHBondContact O-N 3.36Å; V69-L80 HydrophobicContact CG1-CD1 4.23Å; V69-L80 HydrophobicContact CG1-CD2 4.13Å; V69-L80 HydrophobicContact CG1-CG 4.48Å; V69-L80 HydrophobicContact CG2-CD1 4.34Å; V69-V282 HydrophobicContact CG1-CG2 4.23Å; V69-V285 HydrophobicContact CG2-CG1 3.86Å; V69-F292 HydrophobicContact CG2-CE1 4.22Å; V69-F292 HydrophobicContact CG2-CE2 4.46Å; V69-F292 HydrophobicContact CG2-CZ 3.81Å
70	E	88.2	Confident	86.4	Confident	146 Å²	146	68.2 Å²	68.2	68%	0.682	34%	0.344	S	S	*	.	H	α-helix	trans	-64.2	-26.7	177	-75.3	176.9	-176.2	0	0	113.8	M66 V68	M66-E70 WeakPolarHBondContact O-CG 3.48Å; M66-E70 PolarHBondContact O-N 3.32Å; V68-E70 VanDerWaalsContact C-N 3.26Å; V68-E70 PolarHBondContact O-N 3.12Å
71	K	87.9	Confident	87	Confident	132 Å²	132	64.7 Å²	64.7	57%	0.574	33%	0.33	S	S	*	.	H	α-helix	trans	-81.6	-31.3	175.4	-69.3	176.5	-176.3	-176	0	112.4	A67 V68 V69 W88	A67-K71 WeakPolarHBondContact O-CG 3.37Å; A67-K71 PolarHBondContact O-N 3.45Å; V68-K71 WeakPolarHBondContact O-CA 3.45Å; V68-K71 WeakPolarHBondContact O-CB 3.32Å; V68-K71 PolarHBondContact O-N 3.09Å; V69-K71 VanDerWaalsContact C-N 3.26Å; V69-K71 PolarHBondContact O-N 3.34Å; K71-W88 HydrophobicContact CB-CE3 3.95Å; K71-W88 HydrophobicContact CB-CH2 3.81Å; K71-W88 HydrophobicContact CB-CZ3 3.44Å; K71-W88 VanDerWaalsContact CB-CZ3 3.44Å; K71-W88 HydrophobicContact CD-CH2 3.35Å; K71-W88 HydrophobicContact CD-CZ2 4.3Å; K71-W88 HydrophobicContact CD-CZ3 3.7Å; K71-W88 HydrophobicContact CG-CH2 4.25Å; K71-W88 HydrophobicContact CG-CZ3 4.19Å
72	I	89.6	Confident	87.8	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-72.2	-42.6	176.8	-59.8	163.9	0	0	0	110.4	V68 V69 T74 L80 E84 I85 W88 F292 V297	V68-I72 HydrophobicContact CG1-CD1 3.81Å; V68-I72 HydrophobicContact CG1-CG1 4.34Å; V68-I72 WeakPolarHBondContact O-CG1 3.36Å; V68-I72 PolarHBondContact O-N 3.4Å; V69-I72 PolarHBondContact O-N 3.25Å; I72-T74 WeakPolarHBondContact O-CG2 3.47Å; I72-T74 PolarHBondContact O-N 3.04Å; I72-L80 HydrophobicContact CB-CD1 4.42Å; I72-L80 HydrophobicContact CB-CD2 3.94Å; I72-L80 HydrophobicContact CD1-CD1 4.14Å; I72-L80 HydrophobicContact CG2-CB 4.31Å; I72-L80 HydrophobicContact CG2-CD1 4.23Å; I72-L80 HydrophobicContact CG2-CD2 3.82Å; I72-L80 HydrophobicContact CG2-CG 4.34Å; I72-E84 HydrophobicContact CG2-CB 3.94Å; I72-E84 WeakPolarHBondContact O-CB 3.42Å; I72-I85 HydrophobicContact CG2-CG1 3.96Å; I72-W88 HydrophobicContact CB-CB 4.49Å; I72-W88 HydrophobicContact CD1-CG 4.18Å; I72-W88 HydrophobicContact CG1-CB 3.8Å; I72-W88 HydrophobicContact CG1-CD2 3.76Å; I72-W88 HydrophobicContact CG1-CE3 4.45Å; I72-W88 HydrophobicContact CG1-CG 3.41Å; I72-W88 VanDerWaalsContact CG1-CG 3.41Å; I72-W88 HydrophobicContact CG2-CB 4.39Å; I72-F292 HydrophobicContact CD1-CE2 4.42Å; I72-F292 HydrophobicContact CD1-CZ 3.88Å; I72-V297 HydrophobicContact CD1-CG1 3.41Å; I72-V297 VanDerWaalsContact CD1-CG1 3.41Å
73	D	91.8	Very high	88.1	Confident	29 Å²	29	61.7 Å²	61.7	16%	0.155	33%	0.326	C	S	.	.			trans	-70.7	76.5	179	-178.4	12.4	0	0	0	111.6	V69 N75 G76 D77 K78 L80	V69-D73 PolarHBondContact O-N 3.36Å; D73-N75 VanDerWaalsContact C-N 3.34Å; D73-G76 WeakPolarHBondContact OD1-CA 3.46Å; D73-G76 PolarHBondContact OD1-N 3.37Å; D73-D77 PolarHBondContact OD1-N 3.12Å; D73-K78 VanDerWaalsContact OD2-CA 3.24Å; D73-K78 WeakPolarHBondContact OD2-CA 3.39Å; D73-K78 PolarHBondContact OD2-N 3.21Å; D73-L80 HydrophobicContact CB-CD2 3.83Å
74	T	90.1	Very high	88.6	Confident	111 Å²	111	54.4 Å²	54.4	68%	0.681	30%	0.295	S	S	*	.	S	Bend	trans	-73.8	-27.9	-177.5	64.2	0	0	0	0	112.6	I72 E84	I72-T74 WeakPolarHBondContact O-CG2 3.47Å; I72-T74 PolarHBondContact O-N 3.04Å; T74-E84 PolarHBondContact N-OE1 3.32Å; T74-E84 PolarHBondContact OG1-OE1 3.25Å
75	N	90.9	Very high	89.2	Confident	90 Å²	90	51.5 Å²	51.5	48%	0.481	28%	0.282	S	S	.	.	S	Bend	trans	-90.2	-16.9	-176.2	82.4	48.7	0	0	0	112.9	D73 D77 E84	D73-N75 VanDerWaalsContact C-N 3.34Å; N75-D77 PolarHBondContact ND2-OD2 3.03Å; N75-D77 WeakPolarHBondContact OD1-CB 3.48Å; N75-D77 PolarHBondContact OD1-N 3.23Å; N75-D77 PolarHBondContact OD1-OD1 3.04Å; N75-D77 PolarHBondContact OD1-OD2 2.89Å; N75-E84 WeakPolarHBondContact CB-OE1 3.29Å; N75-E84 VanDerWaalsContact CG-OE1 3.24Å; N75-E84 PolarHBondContact N-OE1 3.4Å; N75-E84 VanDerWaalsContact N-OE1 3.14Å; N75-E84 PolarHBondContact ND2-OE1 3.04Å; N75-E84 PolarHBondContact ND2-OE2 2.71Å
76	G	92.1	Very high	89.2	Confident	52 Å²	52	51.6 Å²	51.6	54%	0.536	28%	0.282	S	S	.	.	S	Bend	trans	79.8	17.9	173.6	0	0	0	0	0	115	D73 K78	D73-G76 WeakPolarHBondContact OD1-CA 3.46Å; D73-G76 PolarHBondContact OD1-N 3.37Å; G76-K78 VanDerWaalsContact C-N 3.32Å
77	D	93.1	Very high	89.2	Confident	75 Å²	75	53.2 Å²	53.2	40%	0.401	29%	0.291	S	S	.	.	S	Bend	trans	-85.1	-5.1	179.5	73.4	5.9	0	0	0	113.6	D73 N75 L79	D73-D77 PolarHBondContact OD1-N 3.12Å; N75-D77 PolarHBondContact ND2-OD2 3.03Å; N75-D77 WeakPolarHBondContact OD1-CB 3.48Å; N75-D77 PolarHBondContact OD1-N 3.23Å; N75-D77 PolarHBondContact OD1-OD1 3.04Å; N75-D77 PolarHBondContact OD1-OD2 2.89Å; D77-L79 PolarHBondContact O-N 2.77Å; D77-L79 WeakPolarHBondContact OD1-CA 3.45Å; D77-L79 WeakPolarHBondContact OD1-CB 3.47Å; D77-L79 PolarHBondContact OD1-N 2.92Å
78	K	92.3	Very high	89.5	Confident	153 Å²	153	52.3 Å²	52.3	67%	0.665	28%	0.279	S	S	*	.	S	Bend	trans	68.5	17.4	-179.6	-48.8	177.4	179.1	-179.5	0	114.4	D73 G76	D73-K78 VanDerWaalsContact OD2-CA 3.24Å; D73-K78 WeakPolarHBondContact OD2-CA 3.39Å; D73-K78 PolarHBondContact OD2-N 3.21Å; G76-K78 VanDerWaalsContact C-N 3.32Å
79	L	94.2	Very high	89.5	Confident	47 Å²	47	51.9 Å²	51.9	25%	0.246	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.8	168.7	-58.9	175.1	0	0	0	107.3	D77 Q279	D77-L79 PolarHBondContact O-N 2.77Å; D77-L79 WeakPolarHBondContact OD1-CA 3.45Å; D77-L79 WeakPolarHBondContact OD1-CB 3.47Å; D77-L79 PolarHBondContact OD1-N 2.92Å; L79-Q279 HydrophobicContact CB-CB 4.2Å
80	L	93.8	Very high	89.2	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	105.8	175.1	-51.2	-175.5	0	0	0	107.8	V69 I72 D73 I85 Q279 L280 V285 F292	V69-L80 HydrophobicContact CG1-CD1 4.23Å; V69-L80 HydrophobicContact CG1-CD2 4.13Å; V69-L80 HydrophobicContact CG1-CG 4.48Å; V69-L80 HydrophobicContact CG2-CD1 4.34Å; I72-L80 HydrophobicContact CB-CD1 4.42Å; I72-L80 HydrophobicContact CB-CD2 3.94Å; I72-L80 HydrophobicContact CD1-CD1 4.14Å; I72-L80 HydrophobicContact CG2-CB 4.31Å; I72-L80 HydrophobicContact CG2-CD1 4.23Å; I72-L80 HydrophobicContact CG2-CD2 3.82Å; I72-L80 HydrophobicContact CG2-CG 4.34Å; D73-L80 HydrophobicContact CB-CD2 3.83Å; L80-I85 HydrophobicContact CB-CD1 3.92Å; L80-I85 HydrophobicContact CB-CG1 3.92Å; L80-Q279 WeakPolarHBondContact O-CA 3.36Å; L80-L280 HydrophobicContact CB-CB 4.2Å; L80-L280 PolarHBondContact N-O 2.87Å; L80-L280 PolarHBondContact O-N 3.08Å; L80-V285 HydrophobicContact CD1-CG2 4.26Å; L80-F292 HydrophobicContact CD1-CE2 4.22Å
81	S	91.8	Very high	89	Confident	25 Å²	25	50.5 Å²	50.5	18%	0.175	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	157.3	174.6	67.2	0	0	0	0	111.4	E83 E84 I85	S81-E83 PolarHBondContact O-N 2.85Å; S81-E84 WeakPolarHBondContact CB-OE2 3.28Å; S81-E84 PolarHBondContact N-OE2 3.02Å; S81-E84 PolarHBondContact O-N 3.38Å; S81-E84 VanDerWaalsContact O-N 3.12Å; S81-E84 WeakPolarHBondContact OG-CG 3.29Å; S81-E84 PolarHBondContact OG-N 2.74Å; S81-E84 PolarHBondContact OG-OE2 3.19Å; S81-I85 WeakPolarHBondContact O-CG1 3.34Å; S81-I85 PolarHBondContact O-N 3.31Å
82	G	88.5	Confident	88.7	Confident	17 Å²	17	44.2 Å²	44.2	18%	0.175	24%	0.242	C	C	.	.	H	α-helix	trans	-56.8	-35.7	176.8	0	0	0	0	0	113.2	T86	G82-T86 VanDerWaalsContact O-CB 3.31Å; G82-T86 WeakPolarHBondContact O-CB 3.37Å; G82-T86 PolarHBondContact O-N 3.04Å; G82-T86 PolarHBondContact O-OG1 3.09Å
83	E	87	Confident	88.2	Confident	87 Å²	87	46.1 Å²	46.1	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-68.2	-41.7	177	-173.5	63.4	-162.4	0	0	111.9	S81 T86 L87 Y258	S81-E83 PolarHBondContact O-N 2.85Å; E83-T86 WeakPolarHBondContact O-CB 3.43Å; E83-T86 PolarHBondContact O-N 3.07Å; E83-L87 HydrophobicContact CG-CD1 4.19Å; E83-L87 VanDerWaalsContact O-CG 3.3Å; E83-L87 WeakPolarHBondContact O-CG 3.39Å; E83-L87 PolarHBondContact O-N 3.18Å; E83-Y258 PolarHBondContact OE1-OH 3.33Å; E83-Y258 PolarHBondContact OE2-OH 3.38Å
84	E	90.9	Very high	87.7	Confident	10 Å²	10	49 Å²	49	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-43.4	177.3	-79.1	166.8	143.6	0	0	112.1	I72 T74 N75 S81 T86 W88	I72-E84 HydrophobicContact CG2-CB 3.94Å; I72-E84 WeakPolarHBondContact O-CB 3.42Å; T74-E84 PolarHBondContact N-OE1 3.32Å; T74-E84 PolarHBondContact OG1-OE1 3.25Å; N75-E84 WeakPolarHBondContact CB-OE1 3.29Å; N75-E84 VanDerWaalsContact CG-OE1 3.24Å; N75-E84 PolarHBondContact N-OE1 3.4Å; N75-E84 VanDerWaalsContact N-OE1 3.14Å; N75-E84 PolarHBondContact ND2-OE1 3.04Å; N75-E84 PolarHBondContact ND2-OE2 2.71Å; S81-E84 WeakPolarHBondContact CB-OE2 3.28Å; S81-E84 PolarHBondContact N-OE2 3.02Å; S81-E84 PolarHBondContact O-N 3.38Å; S81-E84 VanDerWaalsContact O-N 3.12Å; S81-E84 WeakPolarHBondContact OG-CG 3.29Å; S81-E84 PolarHBondContact OG-N 2.74Å; S81-E84 PolarHBondContact OG-OE2 3.19Å; E84-T86 VanDerWaalsContact C-N 3.34Å; E84-W88 WeakPolarHBondContact O-CB 3.1Å; E84-W88 PolarHBondContact O-N 3.48Å
85	I	89.2	Confident	87.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175.5	-61.5	168.4	0	0	0	110	I72 L80 S81 W88 I89 A265 L268 I269 L280 V297	I72-I85 HydrophobicContact CG2-CG1 3.96Å; L80-I85 HydrophobicContact CB-CD1 3.92Å; L80-I85 HydrophobicContact CB-CG1 3.92Å; S81-I85 WeakPolarHBondContact O-CG1 3.34Å; S81-I85 PolarHBondContact O-N 3.31Å; I85-W88 PolarHBondContact O-N 3.13Å; I85-I89 HydrophobicContact CG2-CD1 3.76Å; I85-I89 HydrophobicContact CG2-CG1 4.36Å; I85-I89 WeakPolarHBondContact O-CG1 3.29Å; I85-I89 PolarHBondContact O-N 3.39Å; I85-A265 HydrophobicContact CB-CB 3.83Å; I85-A265 HydrophobicContact CG2-CB 3.56Å; I85-L268 HydrophobicContact CG2-CD2 4.12Å; I85-I269 HydrophobicContact CD1-CD1 4.1Å; I85-I269 HydrophobicContact CD1-CG1 3.93Å; I85-L280 HydrophobicContact CD1-CD1 4.02Å; I85-L280 HydrophobicContact CD1-CG 4.39Å; I85-V297 HydrophobicContact CG2-CG2 3.78Å
86	T	82.6	Confident	86.9	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-57	-53.1	177.5	-60.7	0	0	0	0	111.4	G82 E83 E84 W88 I89 Q90 Y258 A261 R262 A265	G82-T86 VanDerWaalsContact O-CB 3.31Å; G82-T86 WeakPolarHBondContact O-CB 3.37Å; G82-T86 PolarHBondContact O-N 3.04Å; G82-T86 PolarHBondContact O-OG1 3.09Å; E83-T86 WeakPolarHBondContact O-CB 3.43Å; E83-T86 PolarHBondContact O-N 3.07Å; E84-T86 VanDerWaalsContact C-N 3.34Å; T86-W88 PolarHBondContact O-N 3.13Å; T86-I89 PolarHBondContact O-N 2.75Å; T86-Q90 WeakPolarHBondContact O-CB 3.26Å; T86-Q90 PolarHBondContact O-N 2.91Å; T86-Y258 HydrophobicContact CG2-CD2 3.61Å; T86-Y258 HydrophobicContact CG2-CE2 3.39Å; T86-Y258 HydrophobicContact CG2-CG 4.28Å; T86-A261 HydrophobicContact CG2-CB 4.15Å; T86-R262 HydrophobicContact CG2-CB 3.72Å; T86-R262 HydrophobicContact CG2-CG 4.48Å; T86-R262 WeakPolarHBondContact OG1-CA 3.39Å; T86-A265 WeakPolarHBondContact OG1-CB 3.45Å
87	L	86.1	Confident	86.4	Confident	81 Å²	81	41.2 Å²	41.2	42%	0.424	20%	0.199	S	C	.	.	H	α-helix	trans	-64.4	-32.2	-178.5	-67.8	174.6	0	0	0	111.9	E83 H91 Y258	E83-L87 HydrophobicContact CG-CD1 4.19Å; E83-L87 VanDerWaalsContact O-CG 3.3Å; E83-L87 WeakPolarHBondContact O-CG 3.39Å; E83-L87 PolarHBondContact O-N 3.18Å; L87-H91 PolarHBondContact O-N 2.69Å; L87-Y258 HydrophobicContact CD2-CE2 4.32Å
88	W	88.3	Confident	86	Confident	25 Å²	25	41.3 Å²	41.3	10%	0.095	20%	0.199	C	C	.	.	H	α-helix	trans	-70.1	-46.1	174.6	176.6	-96.4	0	0	0	112.8	V68 K71 I72 E84 I85 T86 Q90 H91 V92 V297	V68-W88 HydrophobicContact CG1-CZ2 4.02Å; K71-W88 HydrophobicContact CB-CE3 3.95Å; K71-W88 HydrophobicContact CB-CH2 3.81Å; K71-W88 HydrophobicContact CB-CZ3 3.44Å; K71-W88 VanDerWaalsContact CB-CZ3 3.44Å; K71-W88 HydrophobicContact CD-CH2 3.35Å; K71-W88 HydrophobicContact CD-CZ2 4.3Å; K71-W88 HydrophobicContact CD-CZ3 3.7Å; K71-W88 HydrophobicContact CG-CH2 4.25Å; K71-W88 HydrophobicContact CG-CZ3 4.19Å; I72-W88 HydrophobicContact CB-CB 4.49Å; I72-W88 HydrophobicContact CD1-CG 4.18Å; I72-W88 HydrophobicContact CG1-CB 3.8Å; I72-W88 HydrophobicContact CG1-CD2 3.76Å; I72-W88 HydrophobicContact CG1-CE3 4.45Å; I72-W88 HydrophobicContact CG1-CG 3.41Å; I72-W88 VanDerWaalsContact CG1-CG 3.41Å; I72-W88 HydrophobicContact CG2-CB 4.39Å; E84-W88 WeakPolarHBondContact O-CB 3.1Å; E84-W88 PolarHBondContact O-N 3.48Å; I85-W88 PolarHBondContact O-N 3.13Å; T86-W88 PolarHBondContact O-N 3.13Å; W88-Q90 VanDerWaalsContact C-N 3.29Å; W88-Q90 PolarHBondContact O-N 3.01Å; W88-H91 AromaticContact CZ3-CD2 3.78Å; W88-H91 WeakPolarHBondContact O-CA 3.43Å; W88-H91 WeakPolarHBondContact O-CB 3.39Å; W88-H91 PolarHBondContact O-N 3.43Å; W88-V92 HydrophobicContact CZ2-CG2 4.16Å; W88-V92 WeakPolarHBondContact O-CG2 3.3Å; W88-V92 PolarHBondContact O-N 3.18Å; W88-V297 PolarHBondContact NE1-O 2.83Å
89	I	82.8	Confident	85.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-43.2	176.2	-68.6	165.9	0	0	0	110.3	I85 T86 H91 V92 Y93 A261 E264 A265 E296 V297	I85-I89 HydrophobicContact CG2-CD1 3.76Å; I85-I89 HydrophobicContact CG2-CG1 4.36Å; I85-I89 WeakPolarHBondContact O-CG1 3.29Å; I85-I89 PolarHBondContact O-N 3.39Å; T86-I89 PolarHBondContact O-N 2.75Å; I89-H91 VanDerWaalsContact C-N 3.29Å; I89-H91 PolarHBondContact O-N 3.15Å; I89-V92 WeakPolarHBondContact O-CA 3.43Å; I89-V92 WeakPolarHBondContact O-CB 3.27Å; I89-V92 PolarHBondContact O-N 3.43Å; I89-Y93 HydrophobicContact CG2-CD2 4.01Å; I89-Y93 HydrophobicContact CG2-CE1 4.19Å; I89-Y93 HydrophobicContact CG2-CE2 3.49Å; I89-Y93 VanDerWaalsContact CG2-CE2 3.49Å; I89-Y93 PolarHBondContact O-N 3.45Å; I89-A261 HydrophobicContact CB-CB 3.94Å; I89-A261 HydrophobicContact CG2-CB 3.69Å; I89-E264 HydrophobicContact CD1-CB 4.01Å; I89-E264 HydrophobicContact CD1-CG 3.76Å; I89-A265 HydrophobicContact CD1-CB 4.27Å; I89-E296 HydrophobicContact CG1-CB 4.42Å; I89-E296 HydrophobicContact CG2-CB 4.11Å; I89-V297 HydrophobicContact CD1-CG2 3.85Å; I89-V297 HydrophobicContact CG1-CG2 3.75Å
90	Q	82	Confident	85	Confident	37 Å²	37	35.6 Å²	35.6	17%	0.173	17%	0.174	C	C	.	.	H	α-helix	trans	-57.3	-41.1	172.4	167.8	172.7	26.9	0	0	112.6	T86 W88 K94 N256 A261	T86-Q90 WeakPolarHBondContact O-CB 3.26Å; T86-Q90 PolarHBondContact O-N 2.91Å; W88-Q90 VanDerWaalsContact C-N 3.29Å; W88-Q90 PolarHBondContact O-N 3.01Å; Q90-K94 PolarHBondContact O-N 3.01Å; Q90-N256 HydrophobicContact CG-CB 3.88Å; Q90-N256 WeakPolarHBondContact CG-O 3.36Å; Q90-N256 PolarHBondContact NE2-O 3.13Å; Q90-A261 HydrophobicContact CB-CB 4.21Å
91	H	83.5	Confident	84.6	Confident	86 Å²	86	35.7 Å²	35.7	40%	0.398	18%	0.175	S	C	.	.	H	α-helix	trans	-63.9	-41.3	173.6	175.8	67.4	0	0	0	112	L87 W88 I89 K94 Q95	L87-H91 PolarHBondContact O-N 2.69Å; W88-H91 AromaticContact CZ3-CD2 3.78Å; W88-H91 WeakPolarHBondContact O-CA 3.43Å; W88-H91 WeakPolarHBondContact O-CB 3.39Å; W88-H91 PolarHBondContact O-N 3.43Å; I89-H91 VanDerWaalsContact C-N 3.29Å; I89-H91 PolarHBondContact O-N 3.15Å; H91-K94 PolarHBondContact O-N 2.96Å; H91-Q95 WeakPolarHBondContact O-CG 3.2Å; H91-Q95 PolarHBondContact O-N 3.34Å
92	V	82.4	Confident	84.4	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-50.1	176.6	164.1	0	0	0	0	111.2	W88 I89 K94 Q95 Y96 D299	W88-V92 HydrophobicContact CZ2-CG2 4.16Å; W88-V92 WeakPolarHBondContact O-CG2 3.3Å; W88-V92 PolarHBondContact O-N 3.18Å; I89-V92 WeakPolarHBondContact O-CA 3.43Å; I89-V92 WeakPolarHBondContact O-CB 3.27Å; I89-V92 PolarHBondContact O-N 3.43Å; V92-K94 VanDerWaalsContact C-N 3.28Å; V92-K94 PolarHBondContact O-N 3.39Å; V92-Q95 PolarHBondContact O-N 2.76Å; V92-Q95 VanDerWaalsContact O-N 3.13Å; V92-Y96 PolarHBondContact O-N 3.35Å; V92-D299 HydrophobicContact CG1-CB 3.87Å
93	Y	79.7	Confident	84.3	Confident	41 Å²	41	40.9 Å²	40.9	16%	0.161	20%	0.199	C	C	.	.	H	α-helix	trans	-55.7	-43.2	176.6	-67.7	-29.9	0	0	0	112.6	I89 Y96 A97 A261 E296	I89-Y93 HydrophobicContact CG2-CD2 4.01Å; I89-Y93 HydrophobicContact CG2-CE1 4.19Å; I89-Y93 HydrophobicContact CG2-CE2 3.49Å; I89-Y93 VanDerWaalsContact CG2-CE2 3.49Å; I89-Y93 PolarHBondContact O-N 3.45Å; Y93-Y96 PolarHBondContact O-N 3.37Å; Y93-A97 WeakPolarHBondContact O-CB 3.44Å; Y93-A97 PolarHBondContact O-N 3.19Å; Y93-A261 HydrophobicContact CE2-CB 4.2Å; Y93-E296 WeakPolarHBondContact CE1-OE1 3.36Å; Y93-E296 WeakPolarHBondContact CE1-OE2 3.4Å; Y93-E296 VanDerWaalsContact OH-CD 3.23Å; Y93-E296 PolarHBondContact OH-OE1 2.93Å
94	K	81.1	Confident	84.3	Confident	88 Å²	88	38.3 Å²	38.3	38%	0.383	19%	0.185	S	C	.	.	H	α-helix	trans	-65.4	-40.9	177.6	-175.5	169.2	-169.9	152.3	0	113.2	Q90 H91 V92 A97 I98	Q90-K94 PolarHBondContact O-N 3.01Å; H91-K94 PolarHBondContact O-N 2.96Å; V92-K94 VanDerWaalsContact C-N 3.28Å; V92-K94 PolarHBondContact O-N 3.39Å; K94-A97 PolarHBondContact O-N 3.07Å; K94-I98 HydrophobicContact CG-CD1 4.18Å; K94-I98 WeakPolarHBondContact O-CD1 3.18Å; K94-I98 VanDerWaalsContact O-CG1 3.29Å; K94-I98 WeakPolarHBondContact O-CG1 3.45Å; K94-I98 PolarHBondContact O-N 3.33Å
95	Q	81.8	Confident	84.3	Confident	65 Å²	65	38.7 Å²	38.7	30%	0.304	19%	0.187	S	C	.	.	H	α-helix	trans	-65.4	-45	176.6	-68.8	-49.6	-85.2	0	0	111	H91 V92 A97 I98 E99	H91-Q95 WeakPolarHBondContact O-CG 3.2Å; H91-Q95 PolarHBondContact O-N 3.34Å; V92-Q95 PolarHBondContact O-N 2.76Å; V92-Q95 VanDerWaalsContact O-N 3.13Å; Q95-A97 VanDerWaalsContact C-N 3.33Å; Q95-A97 PolarHBondContact O-N 2.75Å; Q95-I98 PolarHBondContact O-N 3Å; Q95-E99 WeakPolarHBondContact O-CG 3.4Å; Q95-E99 PolarHBondContact O-N 3.04Å
96	Y	82.1	Confident	84.4	Confident	23 Å²	23	43.7 Å²	43.7	9%	0.09	22%	0.218	C	C	.	.	H	α-helix	trans	-54.4	-49.6	174.2	169.3	-88.9	0	0	0	111.5	F14 V92 Y93 I98 E99 D100	F14-Y96 AromaticContact CD1-CE1 3.83Å; F14-Y96 HydrophobicContact CD1-CE1 3.83Å; F14-Y96 AromaticContact CD1-CZ 3.8Å; F14-Y96 VanDerWaalsContact CD1-OH 3.26Å; F14-Y96 WeakPolarHBondContact CD1-OH 3.45Å; F14-Y96 AromaticContact CE1-CD1 3.95Å; F14-Y96 HydrophobicContact CE1-CD1 3.95Å; F14-Y96 AromaticContact CE1-CE1 3.15Å; F14-Y96 HydrophobicContact CE1-CE1 3.15Å; F14-Y96 AromaticContact CE1-CZ 3.53Å; F14-Y96 HydrophobicContact CZ-CE1 4.02Å; V92-Y96 PolarHBondContact O-N 3.35Å; Y93-Y96 PolarHBondContact O-N 3.37Å; Y96-I98 VanDerWaalsContact C-N 3.29Å; Y96-I98 PolarHBondContact O-N 3.35Å; Y96-E99 PolarHBondContact O-N 3.35Å; Y96-E99 VanDerWaalsContact O-N 3.17Å; Y96-D100 HydrophobicContact CE1-CB 4.08Å; Y96-D100 WeakPolarHBondContact O-CB 3.29Å; Y96-D100 PolarHBondContact O-N 3.33Å
97	A	82	Confident	84.8	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-40.7	-179.1	0	0	0	0	0	112.3	Y93 K94 Q95 A101 L174 H178 E181	Y93-A97 WeakPolarHBondContact O-CB 3.44Å; Y93-A97 PolarHBondContact O-N 3.19Å; K94-A97 PolarHBondContact O-N 3.07Å; Q95-A97 VanDerWaalsContact C-N 3.33Å; Q95-A97 PolarHBondContact O-N 2.75Å; A97-A101 WeakPolarHBondContact O-CB 3.36Å; A97-A101 PolarHBondContact O-N 3.22Å; A97-L174 VanDerWaalsContact C-CD1 3.47Å; A97-L174 HydrophobicContact CB-CD1 3.87Å; A97-L174 WeakPolarHBondContact O-CD1 3.24Å; A97-H178 HydrophobicContact CB-CB 3.87Å; A97-H178 PolarHBondContact O-CD2 3.17Å; A97-H178 VanDerWaalsContact O-CD2 3.28Å; A97-E181 HydrophobicContact CB-CB 4.32Å; A97-E181 HydrophobicContact CB-CG 3.9Å
98	I	83.3	Confident	85	Confident	78 Å²	78	46.4 Å²	46.4	40%	0.4	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-45.9	176.6	-68.7	164.8	0	0	0	111.2	K94 Q95 Y96 G102 L174	K94-I98 HydrophobicContact CG-CD1 4.18Å; K94-I98 WeakPolarHBondContact O-CD1 3.18Å; K94-I98 VanDerWaalsContact O-CG1 3.29Å; K94-I98 WeakPolarHBondContact O-CG1 3.45Å; K94-I98 PolarHBondContact O-N 3.33Å; Q95-I98 PolarHBondContact O-N 3Å; Y96-I98 VanDerWaalsContact C-N 3.29Å; Y96-I98 PolarHBondContact O-N 3.35Å; I98-G102 PolarHBondContact O-N 2.95Å; I98-L174 HydrophobicContact CG1-CD2 3.9Å
99	E	82.3	Confident	85.2	Confident	55 Å²	55	45.9 Å²	45.9	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-50.1	179.1	-70.9	178.6	-179.5	0	0	111.1	Q95 Y96 A101 G102 E103	Q95-E99 WeakPolarHBondContact O-CG 3.4Å; Q95-E99 PolarHBondContact O-N 3.04Å; Y96-E99 PolarHBondContact O-N 3.35Å; Y96-E99 VanDerWaalsContact O-N 3.17Å; E99-A101 PolarHBondContact O-N 3.42Å; E99-G102 PolarHBondContact O-N 3.27Å; E99-E103 WeakPolarHBondContact O-CG 3.37Å; E99-E103 PolarHBondContact O-N 3.3Å
100	D	83.4	Confident	85.6	Confident	25 Å²	25	49.9 Å²	49.9	13%	0.134	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-47.7	177.6	178	70.4	0	0	0	111.8	Y96 G102 E103 R104 H178	Y96-D100 HydrophobicContact CE1-CB 4.08Å; Y96-D100 WeakPolarHBondContact O-CB 3.29Å; Y96-D100 PolarHBondContact O-N 3.33Å; D100-G102 VanDerWaalsContact C-N 3.32Å; D100-G102 PolarHBondContact O-N 2.63Å; D100-E103 PolarHBondContact O-N 2.92Å; D100-R104 VanDerWaalsContact CG-CD 3.48Å; D100-R104 VanDerWaalsContact O-CB 3.31Å; D100-R104 WeakPolarHBondContact O-CB 3.42Å; D100-R104 VanDerWaalsContact O-CG 3.31Å; D100-R104 WeakPolarHBondContact O-CG 3.47Å; D100-R104 PolarHBondContact O-N 3.42Å; D100-R104 WeakPolarHBondContact OD1-CD 3.4Å; D100-R104 VanDerWaalsContact OD2-CD 3.22Å; D100-R104 WeakPolarHBondContact OD2-CD 3.45Å; D100-R104 IonicContact OD2-NH1 3.51Å; D100-R104 PolarHBondContact OD2-NH1 3.04Å; D100-R104 VanDerWaalsContact OD2-NH1 3.16Å; D100-H178 IonicContact OD2-CD2 3.69Å; D100-H178 IonicContact OD2-CE1 3.78Å; D100-H178 PolarHBondContact OD2-CE1 3.45Å; D100-H178 IonicContact OD2-NE2 2.77Å; D100-H178 PolarHBondContact OD2-NE2 3.45Å
101	A	86.9	Confident	86.1	Confident	2 Å²	2	52 Å²	52	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-43.6	177	0	0	0	0	0	111.2	A97 E99 F105 F173 L174	A97-A101 WeakPolarHBondContact O-CB 3.36Å; A97-A101 PolarHBondContact O-N 3.22Å; E99-A101 PolarHBondContact O-N 3.42Å; A101-F105 WeakPolarHBondContact O-CB 3.34Å; A101-F105 PolarHBondContact O-N 2.98Å; A101-F173 HydrophobicContact CB-CD1 4.41Å; A101-L174 HydrophobicContact CB-CB 3.76Å; A101-L174 HydrophobicContact CB-CD1 3.77Å; A101-L174 HydrophobicContact CB-CG 4.39Å
102	G	87.3	Confident	86.6	Confident	27 Å²	27	54.8 Å²	54.8	28%	0.278	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-46.2	178	0	0	0	0	0	113	I98 E99 D100	I98-G102 PolarHBondContact O-N 2.95Å; E99-G102 PolarHBondContact O-N 3.27Å; D100-G102 VanDerWaalsContact C-N 3.32Å; D100-G102 PolarHBondContact O-N 2.63Å
103	E	85.7	Confident	87.2	Confident	124 Å²	124	59.2 Å²	59.2	58%	0.579	30%	0.304	S	S	*	.	H	α-helix	trans	-64	-49.5	177.8	-72.2	-175.6	178.7	0	0	111.6	E99 D100 F105 T106	E99-E103 WeakPolarHBondContact O-CG 3.37Å; E99-E103 PolarHBondContact O-N 3.3Å; D100-E103 PolarHBondContact O-N 2.92Å; E103-F105 PolarHBondContact O-N 2.98Å; E103-T106 PolarHBondContact O-N 3.17Å; E103-T106 PolarHBondContact O-OG1 3.31Å
104	R	86.8	Confident	87.9	Confident	33 Å²	33	59 Å²	59	13%	0.125	32%	0.315	C	S	.	.	H	α-helix	trans	-66.8	-37.2	-179.8	-69.8	171.4	70.9	176.7	4.3	112.2	D100 T106 Q107 F108 F173	D100-R104 VanDerWaalsContact CG-CD 3.48Å; D100-R104 VanDerWaalsContact O-CB 3.31Å; D100-R104 WeakPolarHBondContact O-CB 3.42Å; D100-R104 VanDerWaalsContact O-CG 3.31Å; D100-R104 WeakPolarHBondContact O-CG 3.47Å; D100-R104 PolarHBondContact O-N 3.42Å; D100-R104 WeakPolarHBondContact OD1-CD 3.4Å; D100-R104 VanDerWaalsContact OD2-CD 3.22Å; D100-R104 WeakPolarHBondContact OD2-CD 3.45Å; D100-R104 IonicContact OD2-NH1 3.51Å; D100-R104 PolarHBondContact OD2-NH1 3.04Å; D100-R104 VanDerWaalsContact OD2-NH1 3.16Å; R104-T106 PolarHBondContact O-N 2.98Å; R104-Q107 WeakPolarHBondContact O-CA 3.46Å; R104-Q107 WeakPolarHBondContact O-CB 3.31Å; R104-Q107 PolarHBondContact O-N 3.21Å; R104-F108 HydrophobicContact CB-CD2 4.45Å; R104-F108 HydrophobicContact CB-CE2 4.37Å; R104-F108 VanDerWaalsContact O-CD2 3.24Å; R104-F108 WeakPolarHBondContact O-CD2 3.15Å; R104-F108 PolarHBondContact O-N 3.18Å; R104-F173 HydrophobicContact CB-CE1 4Å; R104-F173 HydrophobicContact CB-CZ 4.45Å
105	F	91.9	Very high	88.6	Confident	18 Å²	18	56.4 Å²	56.4	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-51.7	-44	177	-174.9	-86.5	0	0	0	111.4	A101 E103 Q107 F108 D109 G114 V116 L168 V170 F173	A101-F105 WeakPolarHBondContact O-CB 3.34Å; A101-F105 PolarHBondContact O-N 2.98Å; E103-F105 PolarHBondContact O-N 2.98Å; F105-Q107 PolarHBondContact O-N 3.18Å; F105-F108 PolarHBondContact O-N 3.4Å; F105-F108 VanDerWaalsContact O-N 3.17Å; F105-D109 HydrophobicContact CD1-CB 4.23Å; F105-D109 HydrophobicContact CE1-CB 3.86Å; F105-D109 HydrophobicContact CZ-CB 4.41Å; F105-D109 WeakPolarHBondContact O-CB 3.32Å; F105-D109 PolarHBondContact O-N 3.5Å; F105-G114 WeakPolarHBondContact CZ-O 3.38Å; F105-V116 HydrophobicContact CD2-CG2 3.78Å; F105-V116 HydrophobicContact CE2-CB 4.38Å; F105-V116 HydrophobicContact CE2-CG2 3.62Å; F105-V116 HydrophobicContact CG-CG2 4.34Å; F105-V116 HydrophobicContact CZ-CG2 4.03Å; F105-L168 WeakPolarHBondContact CE2-O 3.32Å; F105-V170 HydrophobicContact CB-CG2 4.28Å; F105-V170 HydrophobicContact CD2-CB 4.04Å; F105-V170 HydrophobicContact CD2-CG2 4.23Å; F105-V170 HydrophobicContact CE2-CB 4.15Å; F105-V170 HydrophobicContact CG-CB 4.25Å; F105-V170 HydrophobicContact CG-CG2 4.13Å; F105-V170 HydrophobicContact CZ-CB 4.48Å; F105-F173 HydrophobicContact CB-CD1 4Å; F105-F173 HydrophobicContact CB-CE1 4.29Å; F105-F173 HydrophobicContact CD2-CB 3.66Å; F105-F173 AromaticContact CD2-CD1 3.95Å; F105-F173 HydrophobicContact CD2-CD1 3.95Å; F105-F173 HydrophobicContact CD2-CD2 4.38Å; F105-F173 AromaticContact CD2-CG 3.74Å; F105-F173 HydrophobicContact CD2-CG 3.74Å; F105-F173 HydrophobicContact CE2-CB 4.11Å; F105-F173 HydrophobicContact CE2-CG 4.5Å
106	T	91.3	Very high	89.3	Confident	105 Å²	105	53.3 Å²	53.3	64%	0.644	29%	0.291	S	S	*	.	H	α-helix	trans	-66.6	-21.7	179.4	68.2	0	0	0	0	114.3	E103 R104	E103-T106 PolarHBondContact O-N 3.17Å; E103-T106 PolarHBondContact O-OG1 3.31Å; R104-T106 PolarHBondContact O-N 2.98Å
107	Q	90.1	Very high	89.9	Confident	126 Å²	126	53.7 Å²	53.7	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-80.1	-35.1	176.2	-56.2	176.7	28.1	0	0	111	R104 F105 L124	R104-Q107 WeakPolarHBondContact O-CA 3.46Å; R104-Q107 WeakPolarHBondContact O-CB 3.31Å; R104-Q107 PolarHBondContact O-N 3.21Å; F105-Q107 PolarHBondContact O-N 3.18Å; Q107-L124 VanDerWaalsContact O-CD1 3.29Å; Q107-L124 WeakPolarHBondContact O-CD1 3.36Å
108	F	90.1	Very high	90.4	Very high	14 Å²	14	54.6 Å²	54.6	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-87.5	-30.8	-178.4	-70.9	-75.2	0	0	0	113.9	R104 F105 T110 V116 E120 Y121 L124 A125 F173	R104-F108 HydrophobicContact CB-CD2 4.45Å; R104-F108 HydrophobicContact CB-CE2 4.37Å; R104-F108 VanDerWaalsContact O-CD2 3.24Å; R104-F108 WeakPolarHBondContact O-CD2 3.15Å; R104-F108 PolarHBondContact O-N 3.18Å; F105-F108 PolarHBondContact O-N 3.4Å; F105-F108 VanDerWaalsContact O-N 3.17Å; F108-T110 PolarHBondContact O-N 2.93Å; F108-V116 HydrophobicContact CB-CG1 3.8Å; F108-V116 HydrophobicContact CB-CG2 3.82Å; F108-E120 WeakPolarHBondContact O-CB 3.09Å; F108-Y121 AromaticContact CD1-CD2 3.79Å; F108-Y121 HydrophobicContact CD1-CD2 3.79Å; F108-Y121 HydrophobicContact CD1-CE2 4.47Å; F108-Y121 HydrophobicContact CD2-CD2 4.45Å; F108-Y121 AromaticContact CE1-CD2 3.65Å; F108-Y121 HydrophobicContact CE1-CD2 3.65Å; F108-Y121 AromaticContact CE1-CE2 3.92Å; F108-Y121 HydrophobicContact CE1-CE2 3.92Å; F108-Y121 HydrophobicContact CE1-CG 4.46Å; F108-Y121 HydrophobicContact CE2-CD2 4.37Å; F108-Y121 HydrophobicContact CE2-CE2 4.26Å; F108-Y121 HydrophobicContact CG-CD2 4.18Å; F108-Y121 AromaticContact CZ-CD2 3.97Å; F108-Y121 HydrophobicContact CZ-CD2 3.97Å; F108-Y121 AromaticContact CZ-CE2 3.82Å; F108-Y121 HydrophobicContact CZ-CE2 3.82Å; F108-L124 HydrophobicContact CD1-CB 3.81Å; F108-L124 HydrophobicContact CD1-CD1 3.8Å; F108-L124 HydrophobicContact CD1-CG 4.44Å; F108-L124 HydrophobicContact CE1-CB 3.63Å; F108-L124 HydrophobicContact CE1-CD1 4.39Å; F108-L124 HydrophobicContact CG-CD1 4.47Å; F108-A125 HydrophobicContact CE1-CB 4.31Å; F108-F173 HydrophobicContact CD2-CE1 4.5Å; F108-F173 HydrophobicContact CD2-CE2 4.19Å; F108-F173 AromaticContact CD2-CZ 3.58Å; F108-F173 HydrophobicContact CD2-CZ 3.58Å; F108-F173 HydrophobicContact CE2-CZ 4.05Å; F108-F173 HydrophobicContact CG-CZ 4.35Å
109	D	93.1	Very high	90.7	Very high	14 Å²	14	56.7 Å²	56.7	8%	0.075	31%	0.307	C	S	.	.			trans	-74.6	70	173.7	-178.4	8.1	0	0	0	110.4	F105 N111 I112 D113 G114 V116	F105-D109 HydrophobicContact CD1-CB 4.23Å; F105-D109 HydrophobicContact CE1-CB 3.86Å; F105-D109 HydrophobicContact CZ-CB 4.41Å; F105-D109 WeakPolarHBondContact O-CB 3.32Å; F105-D109 PolarHBondContact O-N 3.5Å; D109-N111 VanDerWaalsContact C-N 3.26Å; D109-N111 PolarHBondContact O-N 2.84Å; D109-N111 PolarHBondContact OD1-OD1 3.4Å; D109-I112 PolarHBondContact O-N 2.93Å; D109-I112 WeakPolarHBondContact OD1-CA 3.33Å; D109-I112 PolarHBondContact OD1-N 3.13Å; D109-I112 WeakPolarHBondContact OD2-CA 3.46Å; D109-D113 PolarHBondContact OD1-N 3.3Å; D109-D113 VanDerWaalsContact OD1-N 3.15Å; D109-G114 WeakPolarHBondContact OD2-CA 3.37Å; D109-G114 PolarHBondContact OD2-N 2.96Å; D109-V116 HydrophobicContact CB-CG2 4.06Å
110	T	90.8	Very high	91.1	Very high	84 Å²	84	54.8 Å²	54.8	52%	0.515	30%	0.299	S	S	.	.	S	Bend	trans	-67.5	-27.9	-173	64.1	0	0	0	0	113.1	F108 E120 L124	F108-T110 PolarHBondContact O-N 2.93Å; T110-E120 PolarHBondContact OG1-OE1 2.77Å; T110-L124 HydrophobicContact CG2-CD1 3.75Å
111	N	93	Very high	91.4	Very high	82 Å²	82	53.9 Å²	53.9	44%	0.439	29%	0.293	S	S	.	.	S	Bend	trans	-92.7	-11.8	-177.9	79.4	33.3	0	0	0	112.2	D109 D113 E120	D109-N111 VanDerWaalsContact C-N 3.26Å; D109-N111 PolarHBondContact O-N 2.84Å; D109-N111 PolarHBondContact OD1-OD1 3.4Å; N111-D113 PolarHBondContact ND2-OD2 2.9Å; N111-D113 VanDerWaalsContact ND2-OD2 3.08Å; N111-D113 WeakPolarHBondContact OD1-CB 3.05Å; N111-D113 PolarHBondContact OD1-N 2.91Å; N111-D113 PolarHBondContact OD1-OD1 3.05Å; N111-D113 VanDerWaalsContact OD1-OD1 3.13Å; N111-D113 PolarHBondContact OD1-OD2 3.19Å; N111-D113 VanDerWaalsContact OD1-OD2 3.14Å; N111-E120 PolarHBondContact ND2-OE1 2.85Å
112	I	93.9	Very high	91.4	Very high	144 Å²	144	54.3 Å²	54.3	74%	0.738	30%	0.296	S	S	*	.			trans	61.6	40.8	177.3	-41.2	172.8	0	0	0	111.5	D109	D109-I112 PolarHBondContact O-N 2.93Å; D109-I112 WeakPolarHBondContact OD1-CA 3.33Å; D109-I112 PolarHBondContact OD1-N 3.13Å; D109-I112 WeakPolarHBondContact OD2-CA 3.46Å
113	D	94.4	Very high	91.2	Very high	93 Å²	93	55.6 Å²	55.6	50%	0.497	30%	0.301	S	S	.	.	S	Bend	trans	-93.6	-2.7	175.5	70.4	9.4	0	0	0	112.9	D109 N111 V115	D109-D113 PolarHBondContact OD1-N 3.3Å; D109-D113 VanDerWaalsContact OD1-N 3.15Å; N111-D113 PolarHBondContact ND2-OD2 2.9Å; N111-D113 VanDerWaalsContact ND2-OD2 3.08Å; N111-D113 WeakPolarHBondContact OD1-CB 3.05Å; N111-D113 PolarHBondContact OD1-N 2.91Å; N111-D113 PolarHBondContact OD1-OD1 3.05Å; N111-D113 VanDerWaalsContact OD1-OD1 3.13Å; N111-D113 PolarHBondContact OD1-OD2 3.19Å; N111-D113 VanDerWaalsContact OD1-OD2 3.14Å; D113-V115 WeakPolarHBondContact OD1-CG2 3.17Å; D113-V115 PolarHBondContact OD1-N 3.39Å
114	G	94.3	Very high	91	Very high	38 Å²	38	53.9 Å²	53.9	39%	0.392	30%	0.295	S	S	.	.	S	Bend	trans	83.3	11.4	178	0	0	0	0	0	113.7	F105 D109	F105-G114 WeakPolarHBondContact CZ-O 3.38Å; D109-G114 WeakPolarHBondContact OD2-CA 3.37Å; D109-G114 PolarHBondContact OD2-N 2.96Å
115	V	96.1	Very high	90.6	Very high	32 Å²	32	53.5 Å²	53.5	19%	0.194	30%	0.299	C	S	.	.			trans	-131.7	146.9	168.3	-64.1	0	0	0	0	110.5	D113 L168	D113-V115 WeakPolarHBondContact OD1-CG2 3.17Å; D113-V115 PolarHBondContact OD1-N 3.39Å; V115-L168 CarbonylContact C-O 3.4Å; V115-L168 WeakPolarHBondContact CA-O 3.36Å
116	V	95.8	Very high	89.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-100.3	117.2	170.6	173.3	0	0	0	0	107.9	F105 F108 D109 F157 G167 L168 F173	F105-V116 HydrophobicContact CD2-CG2 3.78Å; F105-V116 HydrophobicContact CE2-CB 4.38Å; F105-V116 HydrophobicContact CE2-CG2 3.62Å; F105-V116 HydrophobicContact CG-CG2 4.34Å; F105-V116 HydrophobicContact CZ-CG2 4.03Å; F108-V116 HydrophobicContact CB-CG1 3.8Å; F108-V116 HydrophobicContact CB-CG2 3.82Å; D109-V116 HydrophobicContact CB-CG2 4.06Å; V116-F157 VanDerWaalsContact O-CZ 3.3Å; V116-F157 WeakPolarHBondContact O-CZ 3.43Å; V116-G167 CarbonylContact O-C 3.55Å; V116-G167 WeakPolarHBondContact O-CA 3.24Å; V116-L168 PolarHBondContact N-O 3.01Å; V116-L168 PolarHBondContact O-N 3.32Å; V116-F173 HydrophobicContact CB-CD2 4.28Å; V116-F173 HydrophobicContact CG1-CD2 4.38Å; V116-F173 HydrophobicContact CG1-CE2 4.25Å; V116-F173 HydrophobicContact CG2-CD2 4.34Å
117	T	95.1	Very high	88.1	Confident	31 Å²	31	58.9 Å²	58.9	19%	0.19	32%	0.317	C	S	.	.			trans	-81.5	160.7	173.7	60	0	0	0	0	111.9	E119 E120 Y121	T117-E119 PolarHBondContact O-N 2.73Å; T117-E120 WeakPolarHBondContact CB-OE2 3.44Å; T117-E120 PolarHBondContact N-OE2 3.25Å; T117-E120 PolarHBondContact O-N 3.03Å; T117-E120 WeakPolarHBondContact OG1-CB 3.35Å; T117-E120 VanDerWaalsContact OG1-CD 3.3Å; T117-E120 VanDerWaalsContact OG1-CG 3.27Å; T117-E120 WeakPolarHBondContact OG1-CG 3.41Å; T117-E120 PolarHBondContact OG1-N 3.35Å; T117-E120 PolarHBondContact OG1-OE2 3.2Å; T117-Y121 PolarHBondContact O-N 3.47Å
118	W	92.1	Very high	86.5	Confident	22 Å²	22	60.2 Å²	60.2	8%	0.083	32%	0.323	C	S	.	.	H	α-helix	trans	-59.6	-37.6	175.3	175.4	-101.2	0	0	0	111	Y121 S122 V150 E153 K154 F157	W118-Y121 HydrophobicContact CE3-CD1 4.28Å; W118-Y121 AromaticContact CZ3-CD1 3.93Å; W118-Y121 HydrophobicContact CZ3-CD1 3.93Å; W118-Y121 HydrophobicContact CZ3-CE1 4.3Å; W118-S122 WeakPolarHBondContact O-CB 3.33Å; W118-S122 PolarHBondContact O-N 3.11Å; W118-S122 PolarHBondContact O-OG 2.96Å; W118-V150 HydrophobicContact CH2-CG1 4.43Å; W118-V150 HydrophobicContact CZ2-CG1 3.99Å; W118-E153 HydrophobicContact CH2-CB 4.36Å; W118-E153 HydrophobicContact CH2-CG 4.23Å; W118-E153 HydrophobicContact CZ3-CG 4.31Å; W118-K154 HydrophobicContact CD2-CB 4.48Å; W118-K154 HydrophobicContact CD2-CD 4.44Å; W118-K154 HydrophobicContact CD2-CG 4Å; W118-K154 HydrophobicContact CE3-CB 4.4Å; W118-K154 HydrophobicContact CE3-CG 4.24Å; W118-K154 VanDerWaalsContact CH2-CA 3.41Å; W118-K154 HydrophobicContact CH2-CB 3.5Å; W118-K154 VanDerWaalsContact CH2-CB 3.5Å; W118-K154 HydrophobicContact CH2-CG 4.08Å; W118-K154 HydrophobicContact CZ2-CB 3.57Å; W118-K154 HydrophobicContact CZ2-CD 3.98Å; W118-K154 HydrophobicContact CZ2-CG 3.81Å; W118-K154 VanDerWaalsContact CZ3-CA 3.43Å; W118-K154 HydrophobicContact CZ3-CB 3.94Å; W118-K154 HydrophobicContact CZ3-CG 4.29Å; W118-F157 HydrophobicContact CB-CD1 4.4Å; W118-F157 HydrophobicContact CB-CE1 4.06Å; W118-F157 HydrophobicContact CB-CZ 4.27Å; W118-F157 HydrophobicContact CE3-CB 3.75Å; W118-F157 HydrophobicContact CE3-CD1 4.08Å; W118-F157 AromaticContact CE3-CD2 3.76Å; W118-F157 HydrophobicContact CE3-CD2 3.76Å; W118-F157 HydrophobicContact CE3-CE2 4.33Å; W118-F157 AromaticContact CE3-CG 3.61Å; W118-F157 HydrophobicContact CE3-CG 3.61Å; W118-F157 HydrophobicContact CZ3-CB 3.84Å; W118-F157 HydrophobicContact CZ3-CD2 4.2Å; W118-F157 HydrophobicContact CZ3-CG 4.13Å
119	E	89.8	Confident	84.7	Confident	122 Å²	122	65.3 Å²	65.3	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-62.9	-45.1	176.9	-68.6	72.2	-161	0	0	111.8	T117 S122 S123	T117-E119 PolarHBondContact O-N 2.73Å; E119-S122 PolarHBondContact O-OG 3.37Å; E119-S123 WeakPolarHBondContact O-CB 3.38Å; E119-S123 PolarHBondContact O-N 3.37Å; E119-S123 PolarHBondContact O-OG 3.2Å
120	E	91.3	Very high	82.8	Confident	15 Å²	15	67.4 Å²	67.4	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-50	176.2	-76.4	165.8	142.2	0	0	111.7	F108 T110 N111 T117 S123 L124	F108-E120 WeakPolarHBondContact O-CB 3.09Å; T110-E120 PolarHBondContact OG1-OE1 2.77Å; N111-E120 PolarHBondContact ND2-OE1 2.85Å; T117-E120 WeakPolarHBondContact CB-OE2 3.44Å; T117-E120 PolarHBondContact N-OE2 3.25Å; T117-E120 PolarHBondContact O-N 3.03Å; T117-E120 WeakPolarHBondContact OG1-CB 3.35Å; T117-E120 VanDerWaalsContact OG1-CD 3.3Å; T117-E120 VanDerWaalsContact OG1-CG 3.27Å; T117-E120 WeakPolarHBondContact OG1-CG 3.41Å; T117-E120 PolarHBondContact OG1-N 3.35Å; T117-E120 PolarHBondContact OG1-OE2 3.2Å; E120-S123 PolarHBondContact O-N 3.5Å; E120-S123 PolarHBondContact O-OG 2.9Å; E120-L124 PolarHBondContact O-N 3.38Å
121	Y	90.2	Very high	80.9	Confident	6 Å²	6	69.1 Å²	69.1	2%	0.024	37%	0.374	C	S	.	.	H	α-helix	trans	-56.8	-55.9	177.2	179	-98.9	0	0	0	111.6	F108 T117 W118 S123 L124 A125 E153 F157 F173 F176	F108-Y121 AromaticContact CD1-CD2 3.79Å; F108-Y121 HydrophobicContact CD1-CD2 3.79Å; F108-Y121 HydrophobicContact CD1-CE2 4.47Å; F108-Y121 HydrophobicContact CD2-CD2 4.45Å; F108-Y121 AromaticContact CE1-CD2 3.65Å; F108-Y121 HydrophobicContact CE1-CD2 3.65Å; F108-Y121 AromaticContact CE1-CE2 3.92Å; F108-Y121 HydrophobicContact CE1-CE2 3.92Å; F108-Y121 HydrophobicContact CE1-CG 4.46Å; F108-Y121 HydrophobicContact CE2-CD2 4.37Å; F108-Y121 HydrophobicContact CE2-CE2 4.26Å; F108-Y121 HydrophobicContact CG-CD2 4.18Å; F108-Y121 AromaticContact CZ-CD2 3.97Å; F108-Y121 HydrophobicContact CZ-CD2 3.97Å; F108-Y121 AromaticContact CZ-CE2 3.82Å; F108-Y121 HydrophobicContact CZ-CE2 3.82Å; T117-Y121 PolarHBondContact O-N 3.47Å; W118-Y121 HydrophobicContact CE3-CD1 4.28Å; W118-Y121 AromaticContact CZ3-CD1 3.93Å; W118-Y121 HydrophobicContact CZ3-CD1 3.93Å; W118-Y121 HydrophobicContact CZ3-CE1 4.3Å; Y121-S123 VanDerWaalsContact C-N 3.31Å; Y121-S123 PolarHBondContact O-N 3.47Å; Y121-L124 PolarHBondContact O-N 3.38Å; Y121-A125 HydrophobicContact CD1-CB 4.31Å; Y121-A125 HydrophobicContact CE1-CB 3.85Å; Y121-A125 HydrophobicContact CE2-CB 4.23Å; Y121-A125 VanDerWaalsContact O-CB 3.28Å; Y121-A125 WeakPolarHBondContact O-CB 3.29Å; Y121-A125 PolarHBondContact O-N 3.03Å; Y121-E153 VanDerWaalsContact CE1-CD 3.45Å; Y121-E153 HydrophobicContact CE1-CG 4.11Å; Y121-E153 WeakPolarHBondContact CE1-OE1 3.22Å; Y121-E153 PolarHBondContact OH-OE1 3.39Å; Y121-F157 HydrophobicContact CG-CE2 4.44Å; Y121-F173 HydrophobicContact CD2-CE2 4.13Å; Y121-F173 HydrophobicContact CE2-CE2 4.49Å; Y121-F176 HydrophobicContact CD1-CE1 4.39Å; Y121-F176 HydrophobicContact CD1-CZ 4.27Å; Y121-F176 AromaticContact CD2-CE1 3.99Å; Y121-F176 HydrophobicContact CD2-CE1 3.99Å; Y121-F176 AromaticContact CE1-CE1 3.97Å; Y121-F176 HydrophobicContact CE1-CE1 3.97Å; Y121-F176 AromaticContact CE1-CZ 3.67Å; Y121-F176 HydrophobicContact CE1-CZ 3.67Å; Y121-F176 AromaticContact CE2-CE1 3.52Å; Y121-F176 HydrophobicContact CE2-CE1 3.52Å; Y121-F176 HydrophobicContact CE2-CZ 4.08Å; Y121-F176 HydrophobicContact CG-CE1 4.39Å; Y121-F176 AromaticContact CZ-CE1 3.49Å; Y121-F176 VanDerWaalsContact CZ-CE1 3.49Å; Y121-F176 AromaticContact CZ-CZ 3.55Å
122	S	86.2	Confident	79	Confident	11 Å²	11	67 Å²	67	8%	0.077	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-33.8	-175.2	59.2	0	0	0	0	113.1	W118 E119 L124 H126	W118-S122 WeakPolarHBondContact O-CB 3.33Å; W118-S122 PolarHBondContact O-N 3.11Å; W118-S122 PolarHBondContact O-OG 2.96Å; E119-S122 PolarHBondContact O-OG 3.37Å; S122-L124 VanDerWaalsContact C-N 3.26Å; S122-L124 PolarHBondContact O-N 3.14Å; S122-H126 WeakPolarHBondContact O-CA 3.4Å; S122-H126 WeakPolarHBondContact O-CB 3.09Å; S122-H126 PolarHBondContact O-N 2.94Å
123	S	83.1	Confident	77.3	Confident	53 Å²	53	66.3 Å²	66.3	37%	0.371	36%	0.358	S	S	.	.	H	α-helix	trans	-66	-27.8	178.8	71.5	0	0	0	0	114.1	E119 E120 Y121	E119-S123 WeakPolarHBondContact O-CB 3.38Å; E119-S123 PolarHBondContact O-N 3.37Å; E119-S123 PolarHBondContact O-OG 3.2Å; E120-S123 PolarHBondContact O-N 3.5Å; E120-S123 PolarHBondContact O-OG 2.9Å; Y121-S123 VanDerWaalsContact C-N 3.31Å; Y121-S123 PolarHBondContact O-N 3.47Å
124	L	81.1	Confident	75.4	Confident	89 Å²	89	66.8 Å²	66.8	47%	0.466	36%	0.361	S	S	.	.	H	α-helix	trans	-98	-37.5	-179.9	-71.8	173	0	0	0	112.1	Q107 F108 T110 E120 Y121 S122	Q107-L124 VanDerWaalsContact O-CD1 3.29Å; Q107-L124 WeakPolarHBondContact O-CD1 3.36Å; F108-L124 HydrophobicContact CD1-CB 3.81Å; F108-L124 HydrophobicContact CD1-CD1 3.8Å; F108-L124 HydrophobicContact CD1-CG 4.44Å; F108-L124 HydrophobicContact CE1-CB 3.63Å; F108-L124 HydrophobicContact CE1-CD1 4.39Å; F108-L124 HydrophobicContact CG-CD1 4.47Å; T110-L124 HydrophobicContact CG2-CD1 3.75Å; E120-L124 PolarHBondContact O-N 3.38Å; Y121-L124 PolarHBondContact O-N 3.38Å; S122-L124 VanDerWaalsContact C-N 3.26Å; S122-L124 PolarHBondContact O-N 3.14Å
125	A	78.9	Confident	73.7	Confident	24 Å²	24	72.2 Å²	72.2	20%	0.198	38%	0.381	C	S	.	.	H	α-helix	trans	-72.2	-32.9	178	0	0	0	0	0	112.2	F108 Y121	F108-A125 HydrophobicContact CE1-CB 4.31Å; Y121-A125 HydrophobicContact CD1-CB 4.31Å; Y121-A125 HydrophobicContact CE1-CB 3.85Å; Y121-A125 HydrophobicContact CE2-CB 4.23Å; Y121-A125 VanDerWaalsContact O-CB 3.28Å; Y121-A125 WeakPolarHBondContact O-CB 3.29Å; Y121-A125 PolarHBondContact O-N 3.03Å
126	H	74.5	Confident	72.2	Confident	37 Å²	37	73.2 Å²	73.2	17%	0.171	39%	0.387	C	S	.	.			trans	-122.9	95.6	-178.2	-54.2	-71.2	0	0	0	109.3	S122 E128 E153	S122-H126 WeakPolarHBondContact O-CA 3.4Å; S122-H126 WeakPolarHBondContact O-CB 3.09Å; S122-H126 PolarHBondContact O-N 2.94Å; H126-E128 CarbonylContact O-C 3.33Å; H126-E128 PolarHBondContact O-N 3.23Å; H126-E153 IonicContact CD2-OE2 3.9Å; H126-E153 IonicContact CE1-OE2 3.98Å; H126-E153 PolarHBondContact CE1-OE2 3.28Å; H126-E153 IonicContact NE2-OE2 2.71Å; H126-E153 PolarHBondContact NE2-OE2 3.1Å
127	E	57.4	Low	70.4	Confident	200 Å²	200	79.6 Å²	79.6	94%	0.935	43%	0.426	S	S	*	.	S	Bend	trans	-52.1	-30.5	179.9	-93.3	-171.8	160.6	0	0	113.2
128	E	54.7	Low	69.1	Low	154 Å²	154	79.6 Å²	79.6	72%	0.72	43%	0.425	S	S	*	.	S	Bend	trans	-99	106.7	164.8	-72.8	-173.4	150.9	0	0	108.3	H126 I130	H126-E128 CarbonylContact O-C 3.33Å; H126-E128 PolarHBondContact O-N 3.23Å; E128-I130 HydrophobicContact CB-CG1 4.17Å; E128-I130 WeakPolarHBondContact O-CG1 3.33Å; E128-I130 PolarHBondContact O-N 3.08Å
129	L	52.4	Low	67.9	Low	120 Å²	120	87.9 Å²	87.9	63%	0.628	46%	0.464	S	S	*	.			trans	-58.5	87.4	161.4	-81.9	167.2	0	0	0	107.3	P131	L129-P131 WeakPolarHBondContact O-CD 3.04Å; L129-P131 VanDerWaalsContact O-N 3.17Å
130	I	53.1	Low	67.3	Low	59 Å²	59	85.1 Å²	85.1	30%	0.303	45%	0.453	S	S	.	.			trans	-76.4	109.6	178.3	-41.4	174.4	0	0	0	106.3	E128 F132 L146	E128-I130 HydrophobicContact CB-CG1 4.17Å; E128-I130 WeakPolarHBondContact O-CG1 3.33Å; E128-I130 PolarHBondContact O-N 3.08Å; I130-F132 HydrophobicContact CB-CD2 3.65Å; I130-F132 HydrophobicContact CB-CE1 4.37Å; I130-F132 HydrophobicContact CB-CE2 3.44Å; I130-F132 VanDerWaalsContact CB-CE2 3.44Å; I130-F132 HydrophobicContact CB-CG 4.28Å; I130-F132 HydrophobicContact CB-CZ 3.87Å; I130-F132 HydrophobicContact CD1-CD2 4.46Å; I130-F132 HydrophobicContact CD1-CE2 3.47Å; I130-F132 VanDerWaalsContact CD1-CE2 3.47Å; I130-F132 HydrophobicContact CD1-CZ 3.76Å; I130-F132 HydrophobicContact CG1-CE2 4.02Å; I130-F132 HydrophobicContact CG1-CZ 4.36Å; I130-F132 HydrophobicContact CG2-CD1 3.61Å; I130-F132 HydrophobicContact CG2-CD2 3.54Å; I130-F132 HydrophobicContact CG2-CE1 3.26Å; I130-F132 HydrophobicContact CG2-CE2 3.24Å; I130-F132 HydrophobicContact CG2-CG 3.76Å; I130-F132 HydrophobicContact CG2-CZ 3.13Å; I130-F132 PolarHBondContact O-N 2.91Å; I130-L146 HydrophobicContact CD1-CD2 3.36Å; I130-L146 HydrophobicContact CD1-CG 3.98Å
131	P	51.9	Low	66.6	Low	120 Å²	120	88.9 Å²	88.9	78%	0.779	48%	0.479	S	S	*	.			trans	-81.2	70.3	179.1	32.1	-21.1	0	0	0	106.3	L129 D133	L129-P131 WeakPolarHBondContact O-CD 3.04Å; L129-P131 VanDerWaalsContact O-N 3.17Å; P131-D133 PolarHBondContact O-N 3.12Å; P131-D133 VanDerWaalsContact O-N 3.14Å
132	F	52.6	Low	65.9	Low	36 Å²	36	96 Å²	96	16%	0.158	51%	0.512	C	S	.	.			trans	-74.5	100.8	166.2	-61	-56	0	0	0	106.1	I130 D134 L138 Q143 R147	I130-F132 HydrophobicContact CB-CD2 3.65Å; I130-F132 HydrophobicContact CB-CE1 4.37Å; I130-F132 HydrophobicContact CB-CE2 3.44Å; I130-F132 VanDerWaalsContact CB-CE2 3.44Å; I130-F132 HydrophobicContact CB-CG 4.28Å; I130-F132 HydrophobicContact CB-CZ 3.87Å; I130-F132 HydrophobicContact CD1-CD2 4.46Å; I130-F132 HydrophobicContact CD1-CE2 3.47Å; I130-F132 VanDerWaalsContact CD1-CE2 3.47Å; I130-F132 HydrophobicContact CD1-CZ 3.76Å; I130-F132 HydrophobicContact CG1-CE2 4.02Å; I130-F132 HydrophobicContact CG1-CZ 4.36Å; I130-F132 HydrophobicContact CG2-CD1 3.61Å; I130-F132 HydrophobicContact CG2-CD2 3.54Å; I130-F132 HydrophobicContact CG2-CE1 3.26Å; I130-F132 HydrophobicContact CG2-CE2 3.24Å; I130-F132 HydrophobicContact CG2-CG 3.76Å; I130-F132 HydrophobicContact CG2-CZ 3.13Å; I130-F132 PolarHBondContact O-N 2.91Å; F132-D134 PolarHBondContact O-N 3Å; F132-L138 HydrophobicContact CD1-CD1 3.57Å; F132-L138 HydrophobicContact CD1-CD2 3.92Å; F132-L138 HydrophobicContact CD1-CG 4.23Å; F132-L138 HydrophobicContact CE1-CD1 3.15Å; F132-L138 HydrophobicContact CE1-CD2 3.56Å; F132-L138 HydrophobicContact CE1-CG 3.95Å; F132-L138 HydrophobicContact CG-CD1 4.42Å; F132-L138 HydrophobicContact CZ-CD1 3.66Å; F132-Q143 HydrophobicContact CZ-CB 4.41Å; F132-R147 HydrophobicContact CB-CG 3.98Å; F132-R147 HydrophobicContact CD1-CG 4.46Å; F132-R147 HydrophobicContact CD2-CB 3.63Å; F132-R147 HydrophobicContact CD2-CG 3.74Å; F132-R147 HydrophobicContact CE2-CB 3.59Å; F132-R147 HydrophobicContact CE2-CG 4.22Å; F132-R147 HydrophobicContact CG-CB 4.08Å; F132-R147 HydrophobicContact CG-CG 3.83Å; F132-R147 HydrophobicContact CZ-CB 4.03Å
133	D	57.5	Low	65.3	Low	131 Å²	131	100 Å²	100	70%	0.701	53%	0.53	S	S	*	.			trans	-55.4	138	158.6	-123.4	-12.6	0	0	0	106.6	P131 D135 T136 R147	P131-D133 PolarHBondContact O-N 3.12Å; P131-D133 VanDerWaalsContact O-N 3.14Å; D133-D135 PolarHBondContact O-N 2.84Å; D133-T136 WeakPolarHBondContact CB-OG1 3.31Å; D133-T136 PolarHBondContact N-OG1 3.47Å; D133-T136 VanDerWaalsContact N-OG1 3.14Å; D133-T136 WeakPolarHBondContact O-CB 3.42Å; D133-T136 PolarHBondContact O-N 3.23Å; D133-T136 PolarHBondContact O-OG1 3.08Å; D133-R147 PolarHBondContact O-NH1 3.03Å
134	D	56.1	Low	65	Low	102 Å²	102	100.1 Å²	100.1	55%	0.545	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-8.3	-174.8	-88.3	-15.5	0	0	0	114.4	F132 R147 L151	F132-D134 PolarHBondContact O-N 3Å; D134-R147 PolarHBondContact O-NH2 3.47Å; D134-L151 WeakPolarHBondContact OD1-CD2 3.22Å
135	D	57.4	Low	64.8	Low	153 Å²	153	99.7 Å²	99.7	82%	0.818	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	8.6	177.9	-67.4	-42	0	0	0	114.4	D133 V137	D133-D135 PolarHBondContact O-N 2.84Å; D135-V137 PolarHBondContact O-N 3.47Å; D135-V137 VanDerWaalsContact O-N 3.12Å
136	T	64.4	Low	64.7	Low	53 Å²	53	102 Å²	102	33%	0.325	54%	0.538	S	S	.	.			trans	-68.6	110.2	-179.6	-42.8	0	0	0	0	110.3	D133 L138 R147	D133-T136 WeakPolarHBondContact CB-OG1 3.31Å; D133-T136 PolarHBondContact N-OG1 3.47Å; D133-T136 VanDerWaalsContact N-OG1 3.14Å; D133-T136 WeakPolarHBondContact O-CB 3.42Å; D133-T136 PolarHBondContact O-N 3.23Å; D133-T136 PolarHBondContact O-OG1 3.08Å; T136-L138 HydrophobicContact CG2-CD2 4.15Å; T136-L138 PolarHBondContact O-N 3.11Å; T136-R147 PolarHBondContact O-NH1 2.85Å; T136-R147 VanDerWaalsContact O-NH1 3.1Å
137	V	59.7	Low	65	Low	133 Å²	133	101 Å²	101	81%	0.806	53%	0.532	S	S	*	.			trans	-72.6	115	172.5	-179.4	0	0	0	0	108.8	D135	D135-V137 PolarHBondContact O-N 3.47Å; D135-V137 VanDerWaalsContact O-N 3.12Å
138	L	66.9	Low	66.1	Low	32 Å²	32	96.2 Å²	96.2	17%	0.168	51%	0.51	C	S	.	.			trans	-98	127.9	175.8	-58.2	167.3	0	0	0	108.9	F132 T136 D140 Q143 E144 R147	F132-L138 HydrophobicContact CD1-CD1 3.57Å; F132-L138 HydrophobicContact CD1-CD2 3.92Å; F132-L138 HydrophobicContact CD1-CG 4.23Å; F132-L138 HydrophobicContact CE1-CD1 3.15Å; F132-L138 HydrophobicContact CE1-CD2 3.56Å; F132-L138 HydrophobicContact CE1-CG 3.95Å; F132-L138 HydrophobicContact CG-CD1 4.42Å; F132-L138 HydrophobicContact CZ-CD1 3.66Å; T136-L138 HydrophobicContact CG2-CD2 4.15Å; T136-L138 PolarHBondContact O-N 3.11Å; L138-D140 VanDerWaalsContact C-N 3.32Å; L138-Q143 HydrophobicContact CB-CB 4.37Å; L138-Q143 HydrophobicContact CD1-CB 3.97Å; L138-E144 HydrophobicContact CB-CB 4.41Å; L138-R147 HydrophobicContact CD1-CB 3.95Å; L138-R147 HydrophobicContact CD1-CG 4.34Å
139	E	66.1	Low	67.4	Low	196 Å²	196	93.4 Å²	93.4	92%	0.916	50%	0.5	S	S	*	.	S	Bend	trans	-80.4	-19.7	177.5	-66.4	-173.9	168.8	0	0	112.1	P141	E139-P141 WeakPolarHBondContact O-CD 3.36Å
140	D	78.6	Confident	68.8	Low	64 Å²	64	89 Å²	89	34%	0.342	48%	0.478	S	S	.	.			trans	-90	116.7	-179.5	-174.1	10.9	0	0	0	111	L138 E142 Q143 E144	L138-D140 VanDerWaalsContact C-N 3.32Å; D140-E142 PolarHBondContact O-N 2.94Å; D140-E142 PolarHBondContact OD1-N 2.98Å; D140-Q143 HydrophobicContact CB-CB 4.09Å; D140-Q143 HydrophobicContact CB-CG 3.92Å; D140-Q143 PolarHBondContact O-N 2.93Å; D140-Q143 VanDerWaalsContact O-N 3.16Å; D140-Q143 WeakPolarHBondContact OD2-CG 3.34Å; D140-E144 PolarHBondContact O-N 3.07Å
141	P	76.6	Confident	70.3	Confident	94 Å²	94	87.9 Å²	87.9	61%	0.61	47%	0.472	S	S	*	.	H	α-helix	trans	-57.4	-32	179.6	-25.1	34.8	0	0	0	114.1	E139 S145	E139-P141 WeakPolarHBondContact O-CD 3.36Å; P141-S145 WeakPolarHBondContact O-CB 3.49Å; P141-S145 PolarHBondContact O-N 2.78Å; P141-S145 PolarHBondContact O-OG 3.34Å
142	E	74.6	Confident	71.8	Confident	155 Å²	155	84.3 Å²	84.3	72%	0.724	44%	0.444	S	S	*	.	H	α-helix	trans	-68.6	-43.1	178.2	-68.1	-179.9	-168.2	0	0	110.9	D140 S145 L146	D140-E142 PolarHBondContact O-N 2.94Å; D140-E142 PolarHBondContact OD1-N 2.98Å; E142-S145 PolarHBondContact O-N 3.05Å; E142-L146 PolarHBondContact O-N 3.18Å
143	Q	74.2	Confident	73.5	Confident	95 Å²	95	84.3 Å²	84.3	44%	0.444	45%	0.445	S	S	.	.	H	α-helix	trans	-67	-38.8	176.9	-65.8	-176.5	-32.4	0	0	112.4	F132 L138 D140 L146 R147	F132-Q143 HydrophobicContact CZ-CB 4.41Å; L138-Q143 HydrophobicContact CB-CB 4.37Å; L138-Q143 HydrophobicContact CD1-CB 3.97Å; D140-Q143 HydrophobicContact CB-CB 4.09Å; D140-Q143 HydrophobicContact CB-CG 3.92Å; D140-Q143 PolarHBondContact O-N 2.93Å; D140-Q143 VanDerWaalsContact O-N 3.16Å; D140-Q143 WeakPolarHBondContact OD2-CG 3.34Å; Q143-L146 PolarHBondContact O-N 2.84Å; Q143-R147 VanDerWaalsContact O-CB 3.27Å; Q143-R147 WeakPolarHBondContact O-CB 3.12Å; Q143-R147 PolarHBondContact O-N 3.41Å
144	E	76.5	Confident	75	Confident	56 Å²	56	81.2 Å²	81.2	26%	0.262	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-40.8	174.9	-175.1	57.8	-148.8	0	0	111.4	L138 D140 R147 Q148	L138-E144 HydrophobicContact CB-CB 4.41Å; D140-E144 PolarHBondContact O-N 3.07Å; E144-R147 WeakPolarHBondContact O-CB 3.34Å; E144-R147 PolarHBondContact O-N 3.12Å; E144-R147 IonicContact OE1-NE 3.36Å; E144-R147 IonicContact OE2-NE 3.32Å; E144-Q148 WeakPolarHBondContact O-CG 3.47Å; E144-Q148 PolarHBondContact O-N 3.34Å; E144-Q148 PolarHBondContact OE1-NE2 2.83Å
145	S	77.5	Confident	76.7	Confident	80 Å²	80	82.6 Å²	82.6	56%	0.559	42%	0.423	S	S	*	.	H	α-helix	trans	-62.5	-45.3	176.5	-57.8	0	0	0	0	111.6	P141 E142 R147 Q148 L149	P141-S145 WeakPolarHBondContact O-CB 3.49Å; P141-S145 PolarHBondContact O-N 2.78Å; P141-S145 PolarHBondContact O-OG 3.34Å; E142-S145 PolarHBondContact O-N 3.05Å; S145-R147 VanDerWaalsContact C-N 3.35Å; S145-R147 PolarHBondContact O-N 2.87Å; S145-Q148 PolarHBondContact O-N 3.31Å; S145-L149 PolarHBondContact O-N 2.98Å; S145-L149 VanDerWaalsContact O-N 3.09Å
146	L	76.9	Confident	78.3	Confident	73 Å²	73	76.8 Å²	76.8	38%	0.382	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-41.2	176.1	-178.4	56.9	0	0	0	112	I130 E142 Q143 L149 V150	I130-L146 HydrophobicContact CD1-CD2 3.36Å; I130-L146 HydrophobicContact CD1-CG 3.98Å; E142-L146 PolarHBondContact O-N 3.18Å; Q143-L146 PolarHBondContact O-N 2.84Å; L146-L149 HydrophobicContact CD1-CD2 4.4Å; L146-L149 WeakPolarHBondContact O-CB 3.34Å; L146-L149 PolarHBondContact O-N 3.14Å; L146-V150 WeakPolarHBondContact O-CG2 3.38Å; L146-V150 PolarHBondContact O-N 2.84Å
147	R	79.6	Confident	79.6	Confident	15 Å²	15	74.4 Å²	74.4	6%	0.057	37%	0.374	C	S	.	.	H	α-helix	trans	-59.2	-47.7	174.6	175.6	-172.7	148.6	104.5	23	111.7	F132 D133 D134 T136 L138 Q143 E144 S145 L149 V150 L151	F132-R147 HydrophobicContact CB-CG 3.98Å; F132-R147 HydrophobicContact CD1-CG 4.46Å; F132-R147 HydrophobicContact CD2-CB 3.63Å; F132-R147 HydrophobicContact CD2-CG 3.74Å; F132-R147 HydrophobicContact CE2-CB 3.59Å; F132-R147 HydrophobicContact CE2-CG 4.22Å; F132-R147 HydrophobicContact CG-CB 4.08Å; F132-R147 HydrophobicContact CG-CG 3.83Å; F132-R147 HydrophobicContact CZ-CB 4.03Å; D133-R147 PolarHBondContact O-NH1 3.03Å; D134-R147 PolarHBondContact O-NH2 3.47Å; T136-R147 PolarHBondContact O-NH1 2.85Å; T136-R147 VanDerWaalsContact O-NH1 3.1Å; L138-R147 HydrophobicContact CD1-CB 3.95Å; L138-R147 HydrophobicContact CD1-CG 4.34Å; Q143-R147 VanDerWaalsContact O-CB 3.27Å; Q143-R147 WeakPolarHBondContact O-CB 3.12Å; Q143-R147 PolarHBondContact O-N 3.41Å; E144-R147 WeakPolarHBondContact O-CB 3.34Å; E144-R147 PolarHBondContact O-N 3.12Å; E144-R147 IonicContact OE1-NE 3.36Å; E144-R147 IonicContact OE2-NE 3.32Å; S145-R147 VanDerWaalsContact C-N 3.35Å; S145-R147 PolarHBondContact O-N 2.87Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 3.08Å; R147-V150 PolarHBondContact O-N 3.15Å; R147-L151 HydrophobicContact CG-CD1 4.12Å; R147-L151 HydrophobicContact CG-CG 4.49Å; R147-L151 VanDerWaalsContact O-CG 3.31Å; R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 3.32Å
148	Q	80.4	Confident	81.2	Confident	99 Å²	99	73.8 Å²	73.8	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-60.8	-37.9	178	-68.2	-60.2	-33.4	0	0	111.8	E144 S145 L151 K152	E144-Q148 WeakPolarHBondContact O-CG 3.47Å; E144-Q148 PolarHBondContact O-N 3.34Å; E144-Q148 PolarHBondContact OE1-NE2 2.83Å; S145-Q148 PolarHBondContact O-N 3.31Å; Q148-L151 PolarHBondContact O-N 3.42Å; Q148-K152 WeakPolarHBondContact O-CB 3.42Å; Q148-K152 PolarHBondContact O-N 2.83Å
149	L	81.4	Confident	82.5	Confident	96 Å²	96	75.9 Å²	75.9	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-49.1	174.8	-176.3	127.6	0	0	0	111.9	S145 L146 R147 L151 K152 E153	S145-L149 PolarHBondContact O-N 2.98Å; S145-L149 VanDerWaalsContact O-N 3.09Å; L146-L149 HydrophobicContact CD1-CD2 4.4Å; L146-L149 WeakPolarHBondContact O-CB 3.34Å; L146-L149 PolarHBondContact O-N 3.14Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 3.08Å; L149-L151 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 3.13Å; L149-K152 PolarHBondContact O-N 3.46Å; L149-E153 WeakPolarHBondContact O-CB 3.19Å; L149-E153 PolarHBondContact O-N 2.78Å
150	V	82.8	Confident	83.8	Confident	27 Å²	27	66.6 Å²	66.6	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-38.8	177.2	176.8	0	0	0	0	111.5	W118 L146 R147 E153 K154	W118-V150 HydrophobicContact CH2-CG1 4.43Å; W118-V150 HydrophobicContact CZ2-CG1 3.99Å; L146-V150 WeakPolarHBondContact O-CG2 3.38Å; L146-V150 PolarHBondContact O-N 2.84Å; R147-V150 PolarHBondContact O-N 3.15Å; V150-E153 PolarHBondContact O-N 2.84Å; V150-K154 VanDerWaalsContact O-CB 3.3Å; V150-K154 WeakPolarHBondContact O-CB 3.25Å; V150-K154 PolarHBondContact O-N 2.76Å
151	L	84.4	Confident	84.7	Confident	35 Å²	35	65.2 Å²	65.2	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-40.3	176.8	-70.5	176.3	0	0	0	112.3	D134 R147 Q148 L149 K154 R155	D134-L151 WeakPolarHBondContact OD1-CD2 3.22Å; R147-L151 HydrophobicContact CG-CD1 4.12Å; R147-L151 HydrophobicContact CG-CG 4.49Å; R147-L151 VanDerWaalsContact O-CG 3.31Å; R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 3.32Å; Q148-L151 PolarHBondContact O-N 3.42Å; L149-L151 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 3.13Å; L151-K154 PolarHBondContact O-N 3.29Å; L151-R155 WeakPolarHBondContact O-CG 3.46Å; L151-R155 PolarHBondContact O-N 3.32Å
152	K	84.6	Confident	85.4	Confident	46 Å²	46	66.4 Å²	66.4	20%	0.2	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-46.1	173.1	172.9	175.6	156.5	163.7	0	110.8	Q148 L149 R155 R156 D192	Q148-K152 WeakPolarHBondContact O-CB 3.42Å; Q148-K152 PolarHBondContact O-N 2.83Å; L149-K152 PolarHBondContact O-N 3.46Å; K152-R155 PolarHBondContact O-N 3Å; K152-R156 PolarHBondContact O-N 2.85Å; K152-D192 WeakPolarHBondContact CD-OD1 3.16Å; K152-D192 WeakPolarHBondContact CE-OD1 3.46Å; K152-D192 WeakPolarHBondContact CE-OD2 3.48Å; K152-D192 IonicContact NZ-OD1 3.58Å; K152-D192 PolarHBondContact NZ-OD1 3.28Å; K152-D192 IonicContact NZ-OD2 3.79Å; K152-D192 PolarHBondContact NZ-OD2 2.96Å
153	E	86.6	Confident	86.3	Confident	36 Å²	36	63.4 Å²	63.4	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-44.3	176.9	-171.9	177.1	-130.5	0	0	112.1	W118 Y121 H126 L149 V150 R155 R156 F157 F176	W118-E153 HydrophobicContact CH2-CB 4.36Å; W118-E153 HydrophobicContact CH2-CG 4.23Å; W118-E153 HydrophobicContact CZ3-CG 4.31Å; Y121-E153 VanDerWaalsContact CE1-CD 3.45Å; Y121-E153 HydrophobicContact CE1-CG 4.11Å; Y121-E153 WeakPolarHBondContact CE1-OE1 3.22Å; Y121-E153 PolarHBondContact OH-OE1 3.39Å; H126-E153 IonicContact CD2-OE2 3.9Å; H126-E153 IonicContact CE1-OE2 3.98Å; H126-E153 PolarHBondContact CE1-OE2 3.28Å; H126-E153 IonicContact NE2-OE2 2.71Å; H126-E153 PolarHBondContact NE2-OE2 3.1Å; L149-E153 WeakPolarHBondContact O-CB 3.19Å; L149-E153 PolarHBondContact O-N 2.78Å; V150-E153 PolarHBondContact O-N 2.84Å; E153-R155 VanDerWaalsContact C-N 3.33Å; E153-R155 PolarHBondContact O-N 3.21Å; E153-R156 WeakPolarHBondContact O-CB 3.09Å; E153-R156 PolarHBondContact O-N 3.02Å; E153-R156 VanDerWaalsContact O-N 3.1Å; E153-F157 PolarHBondContact O-N 3.35Å; E153-F176 HydrophobicContact CG-CE2 3.9Å; E153-F176 HydrophobicContact CG-CZ 3.75Å
154	K	89.9	Confident	87	Confident	66 Å²	66	61.6 Å²	61.6	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-41.9	175.2	-170.1	171.9	-177.6	-178.7	0	112.4	W118 V150 L151 R156 F157 Y158	W118-K154 HydrophobicContact CD2-CB 4.48Å; W118-K154 HydrophobicContact CD2-CD 4.44Å; W118-K154 HydrophobicContact CD2-CG 4Å; W118-K154 HydrophobicContact CE3-CB 4.4Å; W118-K154 HydrophobicContact CE3-CG 4.24Å; W118-K154 VanDerWaalsContact CH2-CA 3.41Å; W118-K154 HydrophobicContact CH2-CB 3.5Å; W118-K154 VanDerWaalsContact CH2-CB 3.5Å; W118-K154 HydrophobicContact CH2-CG 4.08Å; W118-K154 HydrophobicContact CZ2-CB 3.57Å; W118-K154 HydrophobicContact CZ2-CD 3.98Å; W118-K154 HydrophobicContact CZ2-CG 3.81Å; W118-K154 VanDerWaalsContact CZ3-CA 3.43Å; W118-K154 HydrophobicContact CZ3-CB 3.94Å; W118-K154 HydrophobicContact CZ3-CG 4.29Å; V150-K154 VanDerWaalsContact O-CB 3.3Å; V150-K154 WeakPolarHBondContact O-CB 3.25Å; V150-K154 PolarHBondContact O-N 2.76Å; L151-K154 PolarHBondContact O-N 3.29Å; K154-R156 VanDerWaalsContact C-N 3.34Å; K154-F157 WeakPolarHBondContact O-CB 3.04Å; K154-F157 PolarHBondContact O-N 2.82Å; K154-Y158 HydrophobicContact CD-CE2 4.21Å; K154-Y158 HydrophobicContact CG-CD2 3.96Å; K154-Y158 HydrophobicContact CG-CE2 3.54Å; K154-Y158 WeakPolarHBondContact O-CD2 3.18Å; K154-Y158 PolarHBondContact O-N 3.18Å; K154-Y158 VanDerWaalsContact O-N 3.16Å
155	R	90.8	Very high	87.7	Confident	131 Å²	131	62.3 Å²	62.3	49%	0.494	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-43.2	173.6	-75.4	-170.4	-64.5	167.7	1.5	111.4	L151 K152 E153 Y158 F159 F188	L151-R155 WeakPolarHBondContact O-CG 3.46Å; L151-R155 PolarHBondContact O-N 3.32Å; K152-R155 PolarHBondContact O-N 3Å; E153-R155 VanDerWaalsContact C-N 3.33Å; E153-R155 PolarHBondContact O-N 3.21Å; R155-Y158 PolarHBondContact O-N 3.24Å; R155-F159 WeakPolarHBondContact O-CB 3.47Å; R155-F159 PolarHBondContact O-N 2.91Å; R155-F188 HydrophobicContact CB-CE2 4.22Å
156	R	91	Very high	88.3	Confident	30 Å²	30	63.7 Å²	63.7	11%	0.113	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-44.9	176	-167.2	-174.2	-65.9	-175.1	-5.8	111.7	K152 E153 K154 Y158 F159 A160 F176 M185 F188 D192	K152-R156 PolarHBondContact O-N 2.85Å; E153-R156 WeakPolarHBondContact O-CB 3.09Å; E153-R156 PolarHBondContact O-N 3.02Å; E153-R156 VanDerWaalsContact O-N 3.1Å; K154-R156 VanDerWaalsContact C-N 3.34Å; R156-Y158 PolarHBondContact O-N 2.89Å; R156-F159 PolarHBondContact O-N 3.16Å; R156-F159 VanDerWaalsContact O-N 3.15Å; R156-A160 PolarHBondContact O-N 2.81Å; R156-F176 HydrophobicContact CB-CD2 4.11Å; R156-F176 HydrophobicContact CB-CE2 4.15Å; R156-F176 VanDerWaalsContact CD-O 3.23Å; R156-F176 WeakPolarHBondContact CD-O 3.5Å; R156-F176 HydrophobicContact CG-CD2 3.91Å; R156-F176 HydrophobicContact CG-CE2 4.33Å; R156-M185 HydrophobicContact CG-CE 3.87Å; R156-F188 HydrophobicContact CB-CD1 4.49Å; R156-F188 HydrophobicContact CB-CE1 3.77Å; R156-F188 HydrophobicContact CB-CE2 3.91Å; R156-F188 HydrophobicContact CB-CZ 3.44Å; R156-F188 VanDerWaalsContact CB-CZ 3.44Å; R156-F188 HydrophobicContact CG-CD1 4.04Å; R156-F188 HydrophobicContact CG-CE1 3.7Å; R156-F188 HydrophobicContact CG-CE2 4.4Å; R156-F188 HydrophobicContact CG-CZ 3.9Å; R156-D192 IonicContact NH2-OD2 3.14Å
157	F	93.3	Very high	89.2	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.013	31%	0.311	C	S	.	.	H	α-helix	trans	-56	-51.5	179.2	-173.7	-80.7	0	0	0	111.2	V116 W118 Y121 E153 K154 F159 A160 D161 L168 F176	V116-F157 VanDerWaalsContact O-CZ 3.3Å; V116-F157 WeakPolarHBondContact O-CZ 3.43Å; W118-F157 HydrophobicContact CB-CD1 4.4Å; W118-F157 HydrophobicContact CB-CE1 4.06Å; W118-F157 HydrophobicContact CB-CZ 4.27Å; W118-F157 HydrophobicContact CE3-CB 3.75Å; W118-F157 HydrophobicContact CE3-CD1 4.08Å; W118-F157 AromaticContact CE3-CD2 3.76Å; W118-F157 HydrophobicContact CE3-CD2 3.76Å; W118-F157 HydrophobicContact CE3-CE2 4.33Å; W118-F157 AromaticContact CE3-CG 3.61Å; W118-F157 HydrophobicContact CE3-CG 3.61Å; W118-F157 HydrophobicContact CZ3-CB 3.84Å; W118-F157 HydrophobicContact CZ3-CD2 4.2Å; W118-F157 HydrophobicContact CZ3-CG 4.13Å; Y121-F157 HydrophobicContact CG-CE2 4.44Å; E153-F157 PolarHBondContact O-N 3.35Å; K154-F157 WeakPolarHBondContact O-CB 3.04Å; K154-F157 PolarHBondContact O-N 2.82Å; F157-F159 VanDerWaalsContact C-N 3.31Å; F157-F159 PolarHBondContact O-N 2.87Å; F157-A160 PolarHBondContact O-N 3.17Å; F157-D161 PolarHBondContact O-N 3.23Å; F157-L168 HydrophobicContact CD1-CD1 4.27Å; F157-L168 HydrophobicContact CD1-CD2 4.39Å; F157-L168 HydrophobicContact CD1-CG 4.23Å; F157-L168 HydrophobicContact CD2-CD1 3.51Å; F157-L168 HydrophobicContact CD2-CG 4.17Å; F157-L168 HydrophobicContact CE1-CD1 4.22Å; F157-L168 HydrophobicContact CE1-CD2 4.22Å; F157-L168 HydrophobicContact CE1-CG 3.82Å; F157-L168 HydrophobicContact CE2-CD1 3.48Å; F157-L168 VanDerWaalsContact CE2-CD1 3.48Å; F157-L168 HydrophobicContact CE2-CG 3.77Å; F157-L168 HydrophobicContact CG-CD1 3.93Å; F157-L168 HydrophobicContact CG-CG 4.4Å; F157-L168 HydrophobicContact CZ-CD1 3.86Å; F157-L168 HydrophobicContact CZ-CD2 4.48Å; F157-L168 HydrophobicContact CZ-CG 3.59Å; F157-L168 WeakPolarHBondContact O-CD2 3.22Å; F157-F176 VanDerWaalsContact CA-CD2 3.48Å; F157-F176 HydrophobicContact CB-CD2 3.96Å; F157-F176 HydrophobicContact CB-CE2 3.83Å; F157-F176 HydrophobicContact CB-CZ 4.49Å; F157-F176 HydrophobicContact CD2-CD1 4.28Å; F157-F176 HydrophobicContact CD2-CD2 4.33Å; F157-F176 HydrophobicContact CD2-CE1 4.19Å; F157-F176 HydrophobicContact CD2-CE2 4.23Å; F157-F176 HydrophobicContact CD2-CG 4.35Å; F157-F176 HydrophobicContact CD2-CZ 4.17Å
158	Y	93.6	Very high	90	Very high	120 Å²	120	59.8 Å²	59.8	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-72.9	-22.2	178.3	-67.1	-61.1	0	0	0	114.3	K154 R155 R156 A160	K154-Y158 HydrophobicContact CD-CE2 4.21Å; K154-Y158 HydrophobicContact CG-CD2 3.96Å; K154-Y158 HydrophobicContact CG-CE2 3.54Å; K154-Y158 WeakPolarHBondContact O-CD2 3.18Å; K154-Y158 PolarHBondContact O-N 3.18Å; K154-Y158 VanDerWaalsContact O-N 3.16Å; R155-Y158 PolarHBondContact O-N 3.24Å; R156-Y158 PolarHBondContact O-N 2.89Å; Y158-A160 VanDerWaalsContact C-N 3.34Å
159	F	93.1	Very high	90.8	Very high	77 Å²	77	57.1 Å²	57.1	34%	0.338	30%	0.297	S	S	.	.	H	α-helix	trans	-72.2	-33	172.1	-169.6	-79.6	0	0	0	111.3	R155 R156 F157 D161 M185 D187 F188	R155-F159 WeakPolarHBondContact O-CB 3.47Å; R155-F159 PolarHBondContact O-N 2.91Å; R156-F159 PolarHBondContact O-N 3.16Å; R156-F159 VanDerWaalsContact O-N 3.15Å; F157-F159 VanDerWaalsContact C-N 3.31Å; F157-F159 PolarHBondContact O-N 2.87Å; F159-D161 VanDerWaalsContact C-N 3.33Å; F159-M185 HydrophobicContact CD1-CE 3.91Å; F159-M185 HydrophobicContact CD1-SD 3.6Å; F159-M185 VanDerWaalsContact CD1-SD 3.6Å; F159-M185 HydrophobicContact CE1-SD 4.05Å; F159-D187 HydrophobicContact CZ-CB 4.17Å; F159-F188 HydrophobicContact CB-CD2 3.97Å; F159-F188 HydrophobicContact CD1-CB 3.85Å; F159-F188 HydrophobicContact CD1-CD2 4.39Å; F159-F188 HydrophobicContact CD1-CG 4.44Å; F159-F188 HydrophobicContact CD2-CB 4.42Å; F159-F188 HydrophobicContact CD2-CD2 4.14Å; F159-F188 HydrophobicContact CE1-CB 3.87Å; F159-F188 HydrophobicContact CE2-CB 4.42Å; F159-F188 HydrophobicContact CG-CB 4.15Å; F159-F188 AromaticContact CG-CD2 3.91Å; F159-F188 HydrophobicContact CG-CD2 3.91Å; F159-F188 HydrophobicContact CG-CG 4.4Å; F159-F188 HydrophobicContact CZ-CB 4.15Å
160	A	94.2	Very high	91.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-71.5	-26.7	178.6	0	0	0	0	0	113.4	R156 F157 Y158 M162 L168 E172 A175 F176 Y184 M185	R156-A160 PolarHBondContact O-N 2.81Å; F157-A160 PolarHBondContact O-N 3.17Å; Y158-A160 VanDerWaalsContact C-N 3.34Å; A160-M162 PolarHBondContact O-N 3.21Å; A160-M162 VanDerWaalsContact O-N 3.17Å; A160-L168 HydrophobicContact CB-CD1 4.41Å; A160-L168 HydrophobicContact CB-CD2 4.31Å; A160-E172 WeakPolarHBondContact O-CG 3.5Å; A160-A175 HydrophobicContact CB-CB 4.33Å; A160-F176 HydrophobicContact CB-CB 3.73Å; A160-Y184 PolarHBondContact O-OH 2.78Å; A160-M185 HydrophobicContact CB-CE 4.22Å; A160-M185 HydrophobicContact CB-SD 4.01Å
161	D	95.8	Very high	92	Very high	35 Å²	35	59.1 Å²	59.1	19%	0.187	31%	0.313	C	S	.	.			trans	-66.1	104.3	173.5	176.4	9.2	0	0	0	110.6	F157 F159 G164 L168	F157-D161 PolarHBondContact O-N 3.23Å; F159-D161 VanDerWaalsContact C-N 3.33Å; D161-G164 VanDerWaalsContact OD1-CA 3.25Å; D161-G164 WeakPolarHBondContact OD1-CA 3.28Å; D161-G164 PolarHBondContact OD1-N 2.87Å; D161-L168 HydrophobicContact CB-CD2 3.74Å
162	M	93.1	Very high	92.5	Very high	119 Å²	119	57.9 Å²	57.9	59%	0.586	31%	0.306	S	S	*	.			trans	-99.3	-29.9	-175.1	-77.5	-66.2	-65.7	0	0	112.3	A160 E172 Y184	A160-M162 PolarHBondContact O-N 3.21Å; A160-M162 VanDerWaalsContact O-N 3.17Å; M162-E172 PolarHBondContact N-OE1 2.98Å; M162-Y184 HydrophobicContact CE-CD2 4.4Å; M162-Y184 HydrophobicContact CE-CG 4.44Å; M162-Y184 HydrophobicContact CG-CD1 4.48Å; M162-Y184 HydrophobicContact CG-CD2 3.88Å; M162-Y184 HydrophobicContact CG-CE1 4Å; M162-Y184 HydrophobicContact CG-CE2 3.31Å; M162-Y184 HydrophobicContact CG-CG 4.43Å; M162-Y184 HydrophobicContact SD-CD2 3.51Å; M162-Y184 VanDerWaalsContact SD-CD2 3.51Å; M162-Y184 HydrophobicContact SD-CE2 3.55Å; M162-Y184 VanDerWaalsContact SD-CE2 3.55Å; M162-Y184 HydrophobicContact SD-CG 4.11Å
163	D	92	Very high	93	Very high	92 Å²	92	55.7 Å²	55.7	49%	0.492	30%	0.297	S	S	.	.	S	Bend	trans	-88.6	-12.3	-178.7	76.8	29	0	0	0	113.5	T165 N169 E172	D163-T165 PolarHBondContact O-N 2.89Å; D163-T165 WeakPolarHBondContact OD1-CA 3.29Å; D163-T165 WeakPolarHBondContact OD1-CB 3.47Å; D163-T165 PolarHBondContact OD1-N 3.48Å; D163-T165 PolarHBondContact OD1-OG1 2.71Å; D163-N169 PolarHBondContact OD2-ND2 3.37Å; D163-E172 PolarHBondContact N-OE1 2.96Å; D163-E172 VanDerWaalsContact N-OE1 3.11Å
164	G	89.7	Confident	93.3	Very high	58 Å²	58	55.3 Å²	55.3	60%	0.598	30%	0.296	S	S	*	.			trans	74.6	11.6	177.5	0	0	0	0	0	113.5	D161	D161-G164 VanDerWaalsContact OD1-CA 3.25Å; D161-G164 WeakPolarHBondContact OD1-CA 3.28Å; D161-G164 PolarHBondContact OD1-N 2.87Å
165	T	91	Very high	93.3	Very high	70 Å²	70	52.1 Å²	52.1	43%	0.429	28%	0.282	S	S	.	.			trans	-75.1	136.8	171.9	-53.6	0	0	0	0	108.3	D163 G167	D163-T165 PolarHBondContact O-N 2.89Å; D163-T165 WeakPolarHBondContact OD1-CA 3.29Å; D163-T165 WeakPolarHBondContact OD1-CB 3.47Å; D163-T165 PolarHBondContact OD1-N 3.48Å; D163-T165 PolarHBondContact OD1-OG1 2.71Å; T165-G167 PolarHBondContact O-N 3.38Å
166	P	91.2	Very high	93.4	Very high	109 Å²	109	46.1 Å²	46.1	71%	0.708	26%	0.26	S	S	*	.	S	Bend	trans	-58	113.8	176.3	-25.1	34.7	0	0	0	111.9
167	G	94.3	Very high	93.3	Very high	7 Å²	7	45.2 Å²	45.2	7%	0.072	26%	0.257	C	S	.	.	S	Bend	trans	104.9	169.2	-178.5	0	0	0	0	0	112.3	V116 T165	V116-G167 CarbonylContact O-C 3.55Å; V116-G167 WeakPolarHBondContact O-CA 3.24Å; T165-G167 PolarHBondContact O-N 3.38Å
168	L	97.4	Very high	92.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-104.2	129.1	-179.9	-56.3	-178.3	0	0	0	109.9	F105 V115 V116 F157 A160 D161 E172 F173 F176	F105-L168 WeakPolarHBondContact CE2-O 3.32Å; V115-L168 CarbonylContact C-O 3.4Å; V115-L168 WeakPolarHBondContact CA-O 3.36Å; V116-L168 PolarHBondContact N-O 3.01Å; V116-L168 PolarHBondContact O-N 3.32Å; F157-L168 HydrophobicContact CD1-CD1 4.27Å; F157-L168 HydrophobicContact CD1-CD2 4.39Å; F157-L168 HydrophobicContact CD1-CG 4.23Å; F157-L168 HydrophobicContact CD2-CD1 3.51Å; F157-L168 HydrophobicContact CD2-CG 4.17Å; F157-L168 HydrophobicContact CE1-CD1 4.22Å; F157-L168 HydrophobicContact CE1-CD2 4.22Å; F157-L168 HydrophobicContact CE1-CG 3.82Å; F157-L168 HydrophobicContact CE2-CD1 3.48Å; F157-L168 VanDerWaalsContact CE2-CD1 3.48Å; F157-L168 HydrophobicContact CE2-CG 3.77Å; F157-L168 HydrophobicContact CG-CD1 3.93Å; F157-L168 HydrophobicContact CG-CG 4.4Å; F157-L168 HydrophobicContact CZ-CD1 3.86Å; F157-L168 HydrophobicContact CZ-CD2 4.48Å; F157-L168 HydrophobicContact CZ-CG 3.59Å; F157-L168 WeakPolarHBondContact O-CD2 3.22Å; A160-L168 HydrophobicContact CB-CD1 4.41Å; A160-L168 HydrophobicContact CB-CD2 4.31Å; D161-L168 HydrophobicContact CB-CD2 3.74Å; L168-E172 HydrophobicContact CB-CB 3.98Å; L168-E172 HydrophobicContact CD2-CB 3.93Å; L168-E172 HydrophobicContact CG-CB 4.45Å; L168-F173 HydrophobicContact CB-CB 4.29Å; L168-F173 HydrophobicContact CD1-CD2 4.48Å; L168-F176 HydrophobicContact CD1-CB 3.6Å; L168-F176 HydrophobicContact CD1-CD1 4.16Å; L168-F176 HydrophobicContact CD1-CG 3.9Å
169	N	96.3	Very high	92.3	Very high	42 Å²	42	40 Å²	40	23%	0.225	24%	0.237	C	C	.	.			trans	-73.2	171.1	163.2	70	55.9	0	0	0	110.5	D163 T171 E172 F173	D163-N169 PolarHBondContact OD2-ND2 3.37Å; N169-T171 PolarHBondContact O-N 3.46Å; N169-T171 VanDerWaalsContact O-N 3.12Å; N169-T171 WeakPolarHBondContact OD1-CA 3.31Å; N169-T171 WeakPolarHBondContact OD1-CB 3.31Å; N169-T171 PolarHBondContact OD1-N 2.8Å; N169-E172 VanDerWaalsContact CG-OE2 3.24Å; N169-E172 PolarHBondContact N-OE2 2.8Å; N169-E172 PolarHBondContact ND2-OE2 3.02Å; N169-E172 PolarHBondContact O-N 2.65Å; N169-E172 PolarHBondContact OD1-N 2.78Å; N169-E172 VanDerWaalsContact OD1-N 3.11Å; N169-F173 WeakPolarHBondContact O-CB 3.18Å; N169-F173 PolarHBondContact O-N 2.86Å
170	V	94.9	Very high	91.4	Very high	70 Å²	70	38.8 Å²	38.8	42%	0.424	23%	0.232	S	C	.	.	H	α-helix	trans	-57.3	-31.7	-175.8	68.9	0	0	0	0	114.4	F105 L174	F105-V170 HydrophobicContact CB-CG2 4.28Å; F105-V170 HydrophobicContact CD2-CB 4.04Å; F105-V170 HydrophobicContact CD2-CG2 4.23Å; F105-V170 HydrophobicContact CE2-CB 4.15Å; F105-V170 HydrophobicContact CG-CB 4.25Å; F105-V170 HydrophobicContact CG-CG2 4.13Å; F105-V170 HydrophobicContact CZ-CB 4.48Å; V170-L174 PolarHBondContact O-N 3Å
171	T	94.4	Very high	90.7	Very high	95 Å²	95	39.8 Å²	39.8	58%	0.583	24%	0.237	S	C	*	.	H	α-helix	trans	-74.9	-37.8	178.6	-57.7	0	0	0	0	111.3	N169 L174 A175	N169-T171 PolarHBondContact O-N 3.46Å; N169-T171 VanDerWaalsContact O-N 3.12Å; N169-T171 WeakPolarHBondContact OD1-CA 3.31Å; N169-T171 WeakPolarHBondContact OD1-CB 3.31Å; N169-T171 PolarHBondContact OD1-N 2.8Å; T171-L174 WeakPolarHBondContact O-CB 3.19Å; T171-A175 PolarHBondContact O-N 3.11Å
172	E	95.9	Very high	90.1	Very high	9 Å²	9	39.2 Å²	39.2	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-75.1	-32.4	175.6	-63.8	167.2	152.5	0	0	111.3	A160 M162 D163 L168 N169 A175 F176	A160-E172 WeakPolarHBondContact O-CG 3.5Å; M162-E172 PolarHBondContact N-OE1 2.98Å; D163-E172 PolarHBondContact N-OE1 2.96Å; D163-E172 VanDerWaalsContact N-OE1 3.11Å; L168-E172 HydrophobicContact CB-CB 3.98Å; L168-E172 HydrophobicContact CD2-CB 3.93Å; L168-E172 HydrophobicContact CG-CB 4.45Å; N169-E172 VanDerWaalsContact CG-OE2 3.24Å; N169-E172 PolarHBondContact N-OE2 2.8Å; N169-E172 PolarHBondContact ND2-OE2 3.02Å; N169-E172 PolarHBondContact O-N 2.65Å; N169-E172 PolarHBondContact OD1-N 2.78Å; N169-E172 VanDerWaalsContact OD1-N 3.11Å; E172-A175 CarbonylContact O-C 3.42Å; E172-A175 WeakPolarHBondContact O-CB 3.33Å; E172-A175 PolarHBondContact O-N 2.85Å; E172-A175 VanDerWaalsContact O-N 3.17Å; E172-F176 WeakPolarHBondContact O-CB 3.26Å; E172-F176 PolarHBondContact O-N 2.97Å
173	F	94.8	Very high	89.6	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-42.2	172.9	-170.9	-100.8	0	0	0	111.1	A101 R104 F105 F108 V116 Y121 L168 N169 A175 F176 T177	A101-F173 HydrophobicContact CB-CD1 4.41Å; R104-F173 HydrophobicContact CB-CE1 4Å; R104-F173 HydrophobicContact CB-CZ 4.45Å; F105-F173 HydrophobicContact CB-CD1 4Å; F105-F173 HydrophobicContact CB-CE1 4.29Å; F105-F173 HydrophobicContact CD2-CB 3.66Å; F105-F173 AromaticContact CD2-CD1 3.95Å; F105-F173 HydrophobicContact CD2-CD1 3.95Å; F105-F173 HydrophobicContact CD2-CD2 4.38Å; F105-F173 AromaticContact CD2-CG 3.74Å; F105-F173 HydrophobicContact CD2-CG 3.74Å; F105-F173 HydrophobicContact CE2-CB 4.11Å; F105-F173 HydrophobicContact CE2-CG 4.5Å; F108-F173 HydrophobicContact CD2-CE1 4.5Å; F108-F173 HydrophobicContact CD2-CE2 4.19Å; F108-F173 AromaticContact CD2-CZ 3.58Å; F108-F173 HydrophobicContact CD2-CZ 3.58Å; F108-F173 HydrophobicContact CE2-CZ 4.05Å; F108-F173 HydrophobicContact CG-CZ 4.35Å; V116-F173 HydrophobicContact CB-CD2 4.28Å; V116-F173 HydrophobicContact CG1-CD2 4.38Å; V116-F173 HydrophobicContact CG1-CE2 4.25Å; V116-F173 HydrophobicContact CG2-CD2 4.34Å; Y121-F173 HydrophobicContact CD2-CE2 4.13Å; Y121-F173 HydrophobicContact CE2-CE2 4.49Å; L168-F173 HydrophobicContact CB-CB 4.29Å; L168-F173 HydrophobicContact CD1-CD2 4.48Å; N169-F173 WeakPolarHBondContact O-CB 3.18Å; N169-F173 PolarHBondContact O-N 2.86Å; F173-A175 VanDerWaalsContact C-N 3.32Å; F173-A175 PolarHBondContact O-N 3.14Å; F173-F176 HydrophobicContact CD2-CD1 4.24Å; F173-F176 HydrophobicContact CE2-CD1 4.2Å; F173-F176 HydrophobicContact CE2-CE1 4.49Å; F173-F176 WeakPolarHBondContact O-CB 3.43Å; F173-F176 PolarHBondContact O-N 3.32Å; F173-F176 VanDerWaalsContact O-N 3.16Å; F173-T177 HydrophobicContact CD1-CG2 4.15Å; F173-T177 HydrophobicContact CE1-CG2 3.7Å; F173-T177 HydrophobicContact CE2-CG2 4.2Å; F173-T177 HydrophobicContact CZ-CG2 3.72Å; F173-T177 PolarHBondContact O-N 2.85Å; F173-T177 PolarHBondContact O-OG1 2.86Å
174	L	91.8	Very high	89.4	Confident	28 Å²	28	38 Å²	38	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-55.2	-46.8	168.6	168.9	67.7	0	0	0	111.5	A97 I98 A101 V170 T171 F176 T177 H178 V182	A97-L174 VanDerWaalsContact C-CD1 3.47Å; A97-L174 HydrophobicContact CB-CD1 3.87Å; A97-L174 WeakPolarHBondContact O-CD1 3.24Å; I98-L174 HydrophobicContact CG1-CD2 3.9Å; A101-L174 HydrophobicContact CB-CB 3.76Å; A101-L174 HydrophobicContact CB-CD1 3.77Å; A101-L174 HydrophobicContact CB-CG 4.39Å; V170-L174 PolarHBondContact O-N 3Å; T171-L174 WeakPolarHBondContact O-CB 3.19Å; L174-F176 VanDerWaalsContact C-N 3.27Å; L174-F176 PolarHBondContact O-N 3.4Å; L174-T177 PolarHBondContact O-N 2.98Å; L174-H178 HydrophobicContact CD1-CB 4.04Å; L174-H178 CarbonylContact O-C 3.56Å; L174-H178 WeakPolarHBondContact O-CA 3.29Å; L174-H178 WeakPolarHBondContact O-CB 3.46Å; L174-H178 PolarHBondContact O-N 3.17Å; L174-V182 HydrophobicContact CG-CG2 4.31Å
175	A	90.9	Very high	89.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-32.9	178.2	0	0	0	0	0	112.8	A160 T171 E172 F173 A179 V182 Y184 M185	A160-A175 HydrophobicContact CB-CB 4.33Å; T171-A175 PolarHBondContact O-N 3.11Å; E172-A175 CarbonylContact O-C 3.42Å; E172-A175 WeakPolarHBondContact O-CB 3.33Å; E172-A175 PolarHBondContact O-N 2.85Å; E172-A175 VanDerWaalsContact O-N 3.17Å; F173-A175 VanDerWaalsContact C-N 3.32Å; F173-A175 PolarHBondContact O-N 3.14Å; A175-A179 WeakPolarHBondContact O-CA 3.05Å; A175-A179 WeakPolarHBondContact O-CB 3.27Å; A175-A179 PolarHBondContact O-N 3.3Å; A175-V182 HydrophobicContact CB-CB 4.08Å; A175-V182 HydrophobicContact CB-CG1 3.9Å; A175-V182 HydrophobicContact CB-CG2 3.93Å; A175-Y184 HydrophobicContact CB-CE1 4.11Å; A175-Y184 HydrophobicContact CB-CE2 4.34Å; A175-Y184 WeakPolarHBondContact CB-OH 3.43Å; A175-M185 HydrophobicContact CB-CG 3.78Å; A175-M185 HydrophobicContact CB-SD 4.13Å; A175-M185 WeakPolarHBondContact O-CE 2.97Å
176	F	92.5	Very high	88.9	Confident	5 Å²	5	32.3 Å²	32.3	2%	0.022	18%	0.18	C	C	.	.	H	α-helix	trans	-71.3	-47.3	175.8	165.5	-111.6	0	0	0	112.7	Y121 E153 R156 F157 A160 L168 E172 F173 L174	Y121-F176 HydrophobicContact CD1-CE1 4.39Å; Y121-F176 HydrophobicContact CD1-CZ 4.27Å; Y121-F176 AromaticContact CD2-CE1 3.99Å; Y121-F176 HydrophobicContact CD2-CE1 3.99Å; Y121-F176 AromaticContact CE1-CE1 3.97Å; Y121-F176 HydrophobicContact CE1-CE1 3.97Å; Y121-F176 AromaticContact CE1-CZ 3.67Å; Y121-F176 HydrophobicContact CE1-CZ 3.67Å; Y121-F176 AromaticContact CE2-CE1 3.52Å; Y121-F176 HydrophobicContact CE2-CE1 3.52Å; Y121-F176 HydrophobicContact CE2-CZ 4.08Å; Y121-F176 HydrophobicContact CG-CE1 4.39Å; Y121-F176 AromaticContact CZ-CE1 3.49Å; Y121-F176 VanDerWaalsContact CZ-CE1 3.49Å; Y121-F176 AromaticContact CZ-CZ 3.55Å; E153-F176 HydrophobicContact CG-CE2 3.9Å; E153-F176 HydrophobicContact CG-CZ 3.75Å; R156-F176 HydrophobicContact CB-CD2 4.11Å; R156-F176 HydrophobicContact CB-CE2 4.15Å; R156-F176 VanDerWaalsContact CD-O 3.23Å; R156-F176 WeakPolarHBondContact CD-O 3.5Å; R156-F176 HydrophobicContact CG-CD2 3.91Å; R156-F176 HydrophobicContact CG-CE2 4.33Å; F157-F176 VanDerWaalsContact CA-CD2 3.48Å; F157-F176 HydrophobicContact CB-CD2 3.96Å; F157-F176 HydrophobicContact CB-CE2 3.83Å; F157-F176 HydrophobicContact CB-CZ 4.49Å; F157-F176 HydrophobicContact CD2-CD1 4.28Å; F157-F176 HydrophobicContact CD2-CD2 4.33Å; F157-F176 HydrophobicContact CD2-CE1 4.19Å; F157-F176 HydrophobicContact CD2-CE2 4.23Å; F157-F176 HydrophobicContact CD2-CG 4.35Å; F157-F176 HydrophobicContact CD2-CZ 4.17Å; A160-F176 HydrophobicContact CB-CB 3.73Å; L168-F176 HydrophobicContact CD1-CB 3.6Å; L168-F176 HydrophobicContact CD1-CD1 4.16Å; L168-F176 HydrophobicContact CD1-CG 3.9Å; E172-F176 WeakPolarHBondContact O-CB 3.26Å; E172-F176 PolarHBondContact O-N 2.97Å; F173-F176 HydrophobicContact CD2-CD1 4.24Å; F173-F176 HydrophobicContact CE2-CD1 4.2Å; F173-F176 HydrophobicContact CE2-CE1 4.49Å; F173-F176 WeakPolarHBondContact O-CB 3.43Å; F173-F176 PolarHBondContact O-N 3.32Å; F173-F176 VanDerWaalsContact O-N 3.16Å; L174-F176 VanDerWaalsContact C-N 3.27Å; L174-F176 PolarHBondContact O-N 3.4Å
177	T	88.1	Confident	88.5	Confident	11 Å²	11	31.1 Å²	31.1	7%	0.067	17%	0.168	C	C	.	.	H	α-helix	trans	-80.4	-31.9	-176.8	59.9	0	0	0	0	113.1	Q13 F173 L174	Q13-T177 PolarHBondContact OE1-O 2.8Å; F173-T177 HydrophobicContact CD1-CG2 4.15Å; F173-T177 HydrophobicContact CE1-CG2 3.7Å; F173-T177 HydrophobicContact CE2-CG2 4.2Å; F173-T177 HydrophobicContact CZ-CG2 3.72Å; F173-T177 PolarHBondContact O-N 2.85Å; F173-T177 PolarHBondContact O-OG1 2.86Å; L174-T177 PolarHBondContact O-N 2.98Å
178	H	84.9	Confident	88.1	Confident	9 Å²	9	31.4 Å²	31.4	4%	0.042	17%	0.167	C	C	.	.			trans	-125.4	57.1	-177	-61.7	-63.5	0	0	0	110.3	A97 D100 L174 F180 E181	A97-H178 HydrophobicContact CB-CB 3.87Å; A97-H178 PolarHBondContact O-CD2 3.17Å; A97-H178 VanDerWaalsContact O-CD2 3.28Å; D100-H178 IonicContact OD2-CD2 3.69Å; D100-H178 IonicContact OD2-CE1 3.78Å; D100-H178 PolarHBondContact OD2-CE1 3.45Å; D100-H178 IonicContact OD2-NE2 2.77Å; D100-H178 PolarHBondContact OD2-NE2 3.45Å; L174-H178 HydrophobicContact CD1-CB 4.04Å; L174-H178 CarbonylContact O-C 3.56Å; L174-H178 WeakPolarHBondContact O-CA 3.29Å; L174-H178 WeakPolarHBondContact O-CB 3.46Å; L174-H178 PolarHBondContact O-N 3.17Å; H178-F180 PolarHBondContact O-N 3.16Å; H178-F180 VanDerWaalsContact O-N 3.13Å; H178-E181 HydrophobicContact CB-CB 4.2Å; H178-E181 HydrophobicContact CB-CG 4.16Å; H178-E181 WeakPolarHBondContact O-CB 3.12Å; H178-E181 PolarHBondContact O-N 3.39Å
179	A	82.4	Confident	87.2	Confident	3 Å²	3	31.5 Å²	31.5	3%	0.025	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-56.5	-31.1	-176.3	0	0	0	0	0	113.2	A175 E181 V182 M185	A175-A179 WeakPolarHBondContact O-CA 3.05Å; A175-A179 WeakPolarHBondContact O-CB 3.27Å; A175-A179 PolarHBondContact O-N 3.3Å; A179-E181 PolarHBondContact O-N 3.31Å; A179-V182 PolarHBondContact O-N 3.13Å; A179-M185 HydrophobicContact CB-CB 4.03Å; A179-M185 HydrophobicContact CB-CE 3.94Å; A179-M185 HydrophobicContact CB-CG 4.41Å; A179-M185 VanDerWaalsContact O-CB 3.29Å; A179-M185 WeakPolarHBondContact O-CB 3.37Å
180	F	74.6	Confident	86.6	Confident	53 Å²	53	29.8 Å²	29.8	23%	0.232	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-74.6	-2.6	176.2	-61.2	-76.7	0	0	0	113.9	H178 A189 V253 P255 N256	H178-F180 PolarHBondContact O-N 3.16Å; H178-F180 VanDerWaalsContact O-N 3.13Å; F180-A189 HydrophobicContact CD1-CB 4.13Å; F180-A189 HydrophobicContact CE1-CB 3.84Å; F180-V253 HydrophobicContact CD1-CB 4.4Å; F180-V253 HydrophobicContact CE1-CB 4.08Å; F180-V253 HydrophobicContact CE1-CG1 4.47Å; F180-P255 CarbonylContact O-C 3.56Å; F180-P255 WeakPolarHBondContact O-CA 3.48Å; F180-N256 PolarHBondContact O-N 3.4Å
181	E	78.3	Confident	86.1	Confident	21 Å²	21	30.9 Å²	30.9	10%	0.098	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-106.4	-1.5	177.7	-63.1	-58.8	141.8	0	0	112.5	A97 H178 A179 N256 S257	A97-E181 HydrophobicContact CB-CB 4.32Å; A97-E181 HydrophobicContact CB-CG 3.9Å; H178-E181 HydrophobicContact CB-CB 4.2Å; H178-E181 HydrophobicContact CB-CG 4.16Å; H178-E181 WeakPolarHBondContact O-CB 3.12Å; H178-E181 PolarHBondContact O-N 3.39Å; A179-E181 PolarHBondContact O-N 3.31Å; E181-N256 WeakPolarHBondContact OE2-CA 3.26Å; E181-S257 PolarHBondContact OE1-OG 2.88Å
182	V	82.7	Confident	85.3	Confident	23 Å²	23	27.1 Å²	27.1	14%	0.139	14%	0.136	C	C	.	.			trans	-125.9	117.5	-171.9	-177.8	0	0	0	0	111.9	L174 A175 A179 Y184 M185	L174-V182 HydrophobicContact CG-CG2 4.31Å; A175-V182 HydrophobicContact CB-CB 4.08Å; A175-V182 HydrophobicContact CB-CG1 3.9Å; A175-V182 HydrophobicContact CB-CG2 3.93Å; A179-V182 PolarHBondContact O-N 3.13Å; V182-Y184 VanDerWaalsContact C-N 3.32Å; V182-Y184 HydrophobicContact CG1-CD1 3.35Å; V182-Y184 HydrophobicContact CG1-CE1 3.21Å; V182-Y184 HydrophobicContact CG1-CG 4.21Å; V182-Y184 PolarHBondContact O-N 2.88Å; V182-Y184 VanDerWaalsContact O-N 3.14Å; V182-M185 HydrophobicContact CB-CB 4.43Å; V182-M185 HydrophobicContact CB-CG 4.03Å; V182-M185 HydrophobicContact CG1-CG 4.14Å; V182-M185 WeakPolarHBondContact O-CB 2.94Å; V182-M185 PolarHBondContact O-N 2.82Å
183	D	83.6	Confident	84.5	Confident	114 Å²	114	27.3 Å²	27.3	61%	0.61	14%	0.138	S	C	*	.	G	3₁₀ helix	trans	-52.1	-41.8	-171.7	-67.2	-9.7	0	0	0	115.3	M185 A186 P255	D183-M185 VanDerWaalsContact C-N 3.26Å; D183-M185 PolarHBondContact O-N 3.45Å; D183-A186 VanDerWaalsContact O-CB 3.26Å; D183-A186 WeakPolarHBondContact O-CB 3.35Å; D183-A186 PolarHBondContact O-N 2.72Å; D183-P255 VanDerWaalsContact CA-CG 3.5Å; D183-P255 HydrophobicContact CB-CG 4.25Å; D183-P255 WeakPolarHBondContact OD1-CB 2.79Å; D183-P255 WeakPolarHBondContact OD1-CG 3.08Å
184	Y	87.3	Confident	84	Confident	72 Å²	72	29 Å²	29	28%	0.282	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-75.5	-16.5	-177.1	74.3	-98.1	0	0	0	113.4	A160 M162 A175 V182 A186	A160-Y184 PolarHBondContact O-OH 2.78Å; M162-Y184 HydrophobicContact CE-CD2 4.4Å; M162-Y184 HydrophobicContact CE-CG 4.44Å; M162-Y184 HydrophobicContact CG-CD1 4.48Å; M162-Y184 HydrophobicContact CG-CD2 3.88Å; M162-Y184 HydrophobicContact CG-CE1 4Å; M162-Y184 HydrophobicContact CG-CE2 3.31Å; M162-Y184 HydrophobicContact CG-CG 4.43Å; M162-Y184 HydrophobicContact SD-CD2 3.51Å; M162-Y184 VanDerWaalsContact SD-CD2 3.51Å; M162-Y184 HydrophobicContact SD-CE2 3.55Å; M162-Y184 VanDerWaalsContact SD-CE2 3.55Å; M162-Y184 HydrophobicContact SD-CG 4.11Å; A175-Y184 HydrophobicContact CB-CE1 4.11Å; A175-Y184 HydrophobicContact CB-CE2 4.34Å; A175-Y184 WeakPolarHBondContact CB-OH 3.43Å; V182-Y184 VanDerWaalsContact C-N 3.32Å; V182-Y184 HydrophobicContact CG1-CD1 3.35Å; V182-Y184 HydrophobicContact CG1-CE1 3.21Å; V182-Y184 HydrophobicContact CG1-CG 4.21Å; V182-Y184 PolarHBondContact O-N 2.88Å; V182-Y184 VanDerWaalsContact O-N 3.14Å; Y184-A186 VanDerWaalsContact C-N 3.26Å
185	M	87.3	Confident	83.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-79.9	-9.2	175.5	-65.4	-63.6	-63.1	0	0	112.6	R156 F159 A160 A175 A179 V182 D183 D187 F188 A189	R156-M185 HydrophobicContact CG-CE 3.87Å; F159-M185 HydrophobicContact CD1-CE 3.91Å; F159-M185 HydrophobicContact CD1-SD 3.6Å; F159-M185 VanDerWaalsContact CD1-SD 3.6Å; F159-M185 HydrophobicContact CE1-SD 4.05Å; A160-M185 HydrophobicContact CB-CE 4.22Å; A160-M185 HydrophobicContact CB-SD 4.01Å; A175-M185 HydrophobicContact CB-CG 3.78Å; A175-M185 HydrophobicContact CB-SD 4.13Å; A175-M185 WeakPolarHBondContact O-CE 2.97Å; A179-M185 HydrophobicContact CB-CB 4.03Å; A179-M185 HydrophobicContact CB-CE 3.94Å; A179-M185 HydrophobicContact CB-CG 4.41Å; A179-M185 VanDerWaalsContact O-CB 3.29Å; A179-M185 WeakPolarHBondContact O-CB 3.37Å; V182-M185 HydrophobicContact CB-CB 4.43Å; V182-M185 HydrophobicContact CB-CG 4.03Å; V182-M185 HydrophobicContact CG1-CG 4.14Å; V182-M185 WeakPolarHBondContact O-CB 2.94Å; V182-M185 PolarHBondContact O-N 2.82Å; D183-M185 VanDerWaalsContact C-N 3.26Å; D183-M185 PolarHBondContact O-N 3.45Å; M185-D187 PolarHBondContact O-N 3.31Å; M185-F188 HydrophobicContact CE-CB 4.41Å; M185-F188 WeakPolarHBondContact O-CB 3.2Å; M185-F188 PolarHBondContact O-N 3.26Å; M185-A189 PolarHBondContact O-N 3.18Å
186	A	82.8	Confident	82.8	Confident	8 Å²	8	35.6 Å²	35.6	7%	0.066	18%	0.18	C	C	.	.	H	α-helix	trans	-56.8	-36.3	-176.5	0	0	0	0	0	112.9	D183 Y184 F188 A189 V190 L250 P255	D183-A186 VanDerWaalsContact O-CB 3.26Å; D183-A186 WeakPolarHBondContact O-CB 3.35Å; D183-A186 PolarHBondContact O-N 2.72Å; Y184-A186 VanDerWaalsContact C-N 3.26Å; A186-F188 VanDerWaalsContact C-N 3.34Å; A186-F188 PolarHBondContact O-N 2.9Å; A186-A189 PolarHBondContact O-N 3.33Å; A186-V190 VanDerWaalsContact O-CG2 3.29Å; A186-V190 WeakPolarHBondContact O-CG2 3.45Å; A186-V190 PolarHBondContact O-N 2.67Å; A186-L250 HydrophobicContact CB-CD2 3.58Å; A186-P255 HydrophobicContact CB-CG 4.15Å
187	D	83.9	Confident	82.3	Confident	83 Å²	83	37.9 Å²	37.9	44%	0.444	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-40	177.1	-75.8	0.9	0	0	0	112	F159 M185 E191 R246	F159-D187 HydrophobicContact CZ-CB 4.17Å; M185-D187 PolarHBondContact O-N 3.31Å; D187-E191 PolarHBondContact O-N 3.34Å; D187-E191 VanDerWaalsContact O-N 3.09Å; D187-R246 IonicContact OD1-CZ 2.79Å; D187-R246 IonicContact OD1-NH1 3.91Å; D187-R246 IonicContact OD1-NH2 2.75Å; D187-R246 PolarHBondContact OD1-NH2 3.46Å; D187-R246 IonicContact OD2-NH2 3.48Å
188	F	84.7	Confident	82.3	Confident	13 Å²	13	38.2 Å²	38.2	6%	0.057	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-43.2	174.2	-174.3	-80.7	0	0	0	110.9	R155 R156 F159 M185 A186 V190 E191 D192	R155-F188 HydrophobicContact CB-CE2 4.22Å; R156-F188 HydrophobicContact CB-CD1 4.49Å; R156-F188 HydrophobicContact CB-CE1 3.77Å; R156-F188 HydrophobicContact CB-CE2 3.91Å; R156-F188 HydrophobicContact CB-CZ 3.44Å; R156-F188 VanDerWaalsContact CB-CZ 3.44Å; R156-F188 HydrophobicContact CG-CD1 4.04Å; R156-F188 HydrophobicContact CG-CE1 3.7Å; R156-F188 HydrophobicContact CG-CE2 4.4Å; R156-F188 HydrophobicContact CG-CZ 3.9Å; F159-F188 HydrophobicContact CB-CD2 3.97Å; F159-F188 HydrophobicContact CD1-CB 3.85Å; F159-F188 HydrophobicContact CD1-CD2 4.39Å; F159-F188 HydrophobicContact CD1-CG 4.44Å; F159-F188 HydrophobicContact CD2-CB 4.42Å; F159-F188 HydrophobicContact CD2-CD2 4.14Å; F159-F188 HydrophobicContact CE1-CB 3.87Å; F159-F188 HydrophobicContact CE2-CB 4.42Å; F159-F188 HydrophobicContact CG-CB 4.15Å; F159-F188 AromaticContact CG-CD2 3.91Å; F159-F188 HydrophobicContact CG-CD2 3.91Å; F159-F188 HydrophobicContact CG-CG 4.4Å; F159-F188 HydrophobicContact CZ-CB 4.15Å; M185-F188 HydrophobicContact CE-CB 4.41Å; M185-F188 WeakPolarHBondContact O-CB 3.2Å; M185-F188 PolarHBondContact O-N 3.26Å; A186-F188 VanDerWaalsContact C-N 3.34Å; A186-F188 PolarHBondContact O-N 2.9Å; F188-V190 PolarHBondContact O-N 3.46Å; F188-E191 PolarHBondContact O-N 2.85Å; F188-D192 HydrophobicContact CE1-CB 4.49Å; F188-D192 WeakPolarHBondContact O-CB 3.42Å; F188-D192 PolarHBondContact O-N 3.33Å
189	A	80	Confident	82.4	Confident	3 Å²	3	41.8 Å²	41.8	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-41.7	179.1	0	0	0	0	0	112.4	F180 M185 A186 D192 V193 V253	F180-A189 HydrophobicContact CD1-CB 4.13Å; F180-A189 HydrophobicContact CE1-CB 3.84Å; M185-A189 PolarHBondContact O-N 3.18Å; A186-A189 PolarHBondContact O-N 3.33Å; A189-D192 PolarHBondContact O-N 2.96Å; A189-V193 PolarHBondContact O-N 3.14Å; A189-V253 HydrophobicContact CB-CB 4.17Å; A189-V253 HydrophobicContact CB-CG2 4.19Å
190	V	81.9	Confident	82.8	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.03	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-47.4	173.5	171.1	0	0	0	0	111.1	A186 F188 D192 V193 L194 Q249 L250 V253	A186-V190 VanDerWaalsContact O-CG2 3.29Å; A186-V190 WeakPolarHBondContact O-CG2 3.45Å; A186-V190 PolarHBondContact O-N 2.67Å; F188-V190 PolarHBondContact O-N 3.46Å; V190-D192 PolarHBondContact O-N 3.5Å; V190-V193 PolarHBondContact O-N 3.41Å; V190-L194 HydrophobicContact CG1-CD1 3.94Å; V190-L194 HydrophobicContact CG1-CG 4.4Å; V190-L194 WeakPolarHBondContact O-CG 3.46Å; V190-L194 PolarHBondContact O-N 3.02Å; V190-Q249 HydrophobicContact CG1-CB 4.33Å; V190-Q249 HydrophobicContact CG2-CB 4.48Å; V190-L250 HydrophobicContact CG2-CB 4.44Å; V190-L250 HydrophobicContact CG2-CD2 3.44Å; V190-L250 VanDerWaalsContact CG2-CD2 3.44Å; V190-L250 HydrophobicContact CG2-CG 3.71Å; V190-V253 HydrophobicContact CB-CG2 4.39Å; V190-V253 HydrophobicContact CG2-CG2 3.43Å; V190-V253 VanDerWaalsContact CG2-CG2 3.43Å
191	E	84.4	Confident	83.6	Confident	93 Å²	93	52.4 Å²	52.4	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-38.8	178.2	-172.5	-176.2	165.1	0	0	111	D187 F188 L194 N195	D187-E191 PolarHBondContact O-N 3.34Å; D187-E191 VanDerWaalsContact O-N 3.09Å; F188-E191 PolarHBondContact O-N 2.85Å; E191-L194 PolarHBondContact O-N 3.46Å; E191-N195 WeakPolarHBondContact O-CB 3.29Å; E191-N195 VanDerWaalsContact O-CG 3.26Å; E191-N195 PolarHBondContact O-N 3Å; E191-N195 PolarHBondContact O-ND2 3.26Å
192	D	78.9	Confident	84.3	Confident	16 Å²	16	55 Å²	55	9%	0.086	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-45.3	179.1	-154.9	29.2	0	0	0	112	K152 R156 F188 A189 V190 N195 E196	K152-D192 WeakPolarHBondContact CD-OD1 3.16Å; K152-D192 WeakPolarHBondContact CE-OD1 3.46Å; K152-D192 WeakPolarHBondContact CE-OD2 3.48Å; K152-D192 IonicContact NZ-OD1 3.58Å; K152-D192 PolarHBondContact NZ-OD1 3.28Å; K152-D192 IonicContact NZ-OD2 3.79Å; K152-D192 PolarHBondContact NZ-OD2 2.96Å; R156-D192 IonicContact NH2-OD2 3.14Å; F188-D192 HydrophobicContact CE1-CB 4.49Å; F188-D192 WeakPolarHBondContact O-CB 3.42Å; F188-D192 PolarHBondContact O-N 3.33Å; A189-D192 PolarHBondContact O-N 2.96Å; V190-D192 PolarHBondContact O-N 3.5Å; D192-N195 PolarHBondContact O-N 3.19Å; D192-E196 PolarHBondContact O-N 3.47Å
193	V	78.7	Confident	84.6	Confident	14 Å²	14	55.4 Å²	55.4	9%	0.085	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-41.3	176.3	158.2	0	0	0	0	112.2	A189 V190 N195 E196 Y197 I205 W252 V253	A189-V193 PolarHBondContact O-N 3.14Å; V190-V193 PolarHBondContact O-N 3.41Å; V193-N195 PolarHBondContact O-N 2.88Å; V193-E196 PolarHBondContact O-N 3.14Å; V193-Y197 HydrophobicContact CG1-CD2 4.15Å; V193-Y197 WeakPolarHBondContact O-CD2 3.49Å; V193-Y197 PolarHBondContact O-N 2.63Å; V193-I205 HydrophobicContact CG1-CD1 3.45Å; V193-I205 VanDerWaalsContact CG1-CD1 3.45Å; V193-W252 HydrophobicContact CB-CZ3 4.39Å; V193-W252 HydrophobicContact CG1-CE3 3.68Å; V193-W252 HydrophobicContact CG1-CH2 3.45Å; V193-W252 VanDerWaalsContact CG1-CH2 3.45Å; V193-W252 HydrophobicContact CG1-CZ2 4.37Å; V193-W252 HydrophobicContact CG1-CZ3 3.05Å; V193-W252 HydrophobicContact CG2-CH2 4.35Å; V193-V253 HydrophobicContact CB-CG1 3.94Å; V193-V253 HydrophobicContact CG1-CG1 4.18Å; V193-V253 HydrophobicContact CG2-CG1 3.42Å; V193-V253 VanDerWaalsContact CG2-CG1 3.42Å
194	L	83.4	Confident	85.1	Confident	35 Å²	35	53 Å²	53	18%	0.183	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-44.1	173.6	-75.3	170.5	0	0	0	111.4	V190 E191 E196 Y197 D198 I205	V190-L194 HydrophobicContact CG1-CD1 3.94Å; V190-L194 HydrophobicContact CG1-CG 4.4Å; V190-L194 WeakPolarHBondContact O-CG 3.46Å; V190-L194 PolarHBondContact O-N 3.02Å; E191-L194 PolarHBondContact O-N 3.46Å; L194-E196 PolarHBondContact O-N 3.32Å; L194-E196 VanDerWaalsContact O-N 3.09Å; L194-Y197 PolarHBondContact O-N 3.39Å; L194-D198 HydrophobicContact CB-CB 4.3Å; L194-D198 HydrophobicContact CD2-CB 3.76Å; L194-D198 WeakPolarHBondContact O-CA 3.38Å; L194-D198 WeakPolarHBondContact O-CB 3.4Å; L194-D198 PolarHBondContact O-N 3Å; L194-I205 HydrophobicContact CD2-CD1 4.09Å; L194-I205 HydrophobicContact CD2-CG1 3.98Å
195	N	82.8	Confident	85.1	Confident	106 Å²	106	49.6 Å²	49.6	57%	0.567	27%	0.266	S	S	*	.	H	α-helix	trans	-60.1	-25	178.2	-75.4	-45.4	0	0	0	113.4	E191 D192 V193	E191-N195 WeakPolarHBondContact O-CB 3.29Å; E191-N195 VanDerWaalsContact O-CG 3.26Å; E191-N195 PolarHBondContact O-N 3Å; E191-N195 PolarHBondContact O-ND2 3.26Å; D192-N195 PolarHBondContact O-N 3.19Å; V193-N195 PolarHBondContact O-N 2.88Å
196	E	76.3	Confident	85.2	Confident	61 Å²	61	51.5 Å²	51.5	29%	0.285	28%	0.278	S	S	.	.	H	α-helix	trans	-91.1	-43.8	-178.3	-171.9	170.9	146.4	0	0	112.8	F6 D192 V193 L194	F6-E196 VanDerWaalsContact CD1-CD 3.43Å; F6-E196 HydrophobicContact CD1-CG 3.95Å; F6-E196 WeakPolarHBondContact CD1-OE1 3.46Å; F6-E196 HydrophobicContact CE1-CG 3.82Å; D192-E196 PolarHBondContact O-N 3.47Å; V193-E196 PolarHBondContact O-N 3.14Å; L194-E196 PolarHBondContact O-N 3.32Å; L194-E196 VanDerWaalsContact O-N 3.09Å
197	Y	80.3	Confident	85.3	Confident	53 Å²	53	53 Å²	53	21%	0.208	28%	0.284	C	S	.	.	H	α-helix	trans	-104.1	-33.6	-170.8	-69.9	-91.3	0	0	0	114	V193 L194 A199 E209 F210 W252	V193-Y197 HydrophobicContact CG1-CD2 4.15Å; V193-Y197 WeakPolarHBondContact O-CD2 3.49Å; V193-Y197 PolarHBondContact O-N 2.63Å; L194-Y197 PolarHBondContact O-N 3.39Å; Y197-A199 PolarHBondContact O-N 2.98Å; Y197-E209 WeakPolarHBondContact CD1-O 3.28Å; Y197-E209 VanDerWaalsContact O-CB 3.27Å; Y197-E209 WeakPolarHBondContact O-CB 3.27Å; Y197-E209 WeakPolarHBondContact O-CG 3.48Å; Y197-F210 HydrophobicContact CE1-CD2 4.38Å; Y197-F210 WeakPolarHBondContact CE1-O 3.23Å; Y197-W252 HydrophobicContact CD1-CH2 4.39Å; Y197-W252 AromaticContact CD2-CH2 3.66Å; Y197-W252 HydrophobicContact CD2-CH2 3.66Å; Y197-W252 HydrophobicContact CD2-CZ3 4.42Å; Y197-W252 HydrophobicContact CE1-CH2 4.27Å; Y197-W252 AromaticContact CE2-CH2 3.55Å; Y197-W252 HydrophobicContact CE2-CH2 3.55Å; Y197-W252 HydrophobicContact CE2-CZ2 4.06Å; Y197-W252 HydrophobicContact CG-CH2 4.08Å; Y197-W252 AromaticContact CZ-CH2 3.86Å
198	D	88.3	Confident	85.4	Confident	17 Å²	17	53.7 Å²	53.7	9%	0.091	29%	0.292	C	S	.	.			trans	-77.5	84.6	-177.5	177.8	10.6	0	0	0	110.4	L194 K201 D202 G203	L194-D198 HydrophobicContact CB-CB 4.3Å; L194-D198 HydrophobicContact CD2-CB 3.76Å; L194-D198 WeakPolarHBondContact O-CA 3.38Å; L194-D198 WeakPolarHBondContact O-CB 3.4Å; L194-D198 PolarHBondContact O-N 3Å; D198-K201 VanDerWaalsContact CG-CA 3.49Å; D198-K201 WeakPolarHBondContact OD1-CA 3.3Å; D198-K201 PolarHBondContact OD1-N 3.2Å; D198-K201 VanDerWaalsContact OD2-CA 3.3Å; D198-K201 WeakPolarHBondContact OD2-CA 3.46Å; D198-D202 PolarHBondContact OD1-N 3.26Å; D198-D202 VanDerWaalsContact OD1-N 3.13Å; D198-D202 PolarHBondContact OD2-N 2.92Å; D198-G203 VanDerWaalsContact OD2-CA 3.25Å; D198-G203 WeakPolarHBondContact OD2-CA 3.48Å; D198-G203 PolarHBondContact OD2-N 3.46Å
199	A	87.8	Confident	85.5	Confident	85 Å²	85	54.4 Å²	54.4	70%	0.702	30%	0.295	S	S	*	.	S	Bend	trans	-73.2	-33.6	-173.2	0	0	0	0	0	112	Y197 E209	Y197-A199 PolarHBondContact O-N 2.98Å; A199-E209 HydrophobicContact CB-CG 4.41Å; A199-E209 PolarHBondContact N-OE1 3.46Å
200	D	90.4	Very high	85.4	Confident	105 Å²	105	55 Å²	55	56%	0.561	30%	0.297	S	S	*	.	S	Bend	trans	-91.9	-7.3	-179.4	80.2	7.6	0	0	0	114.2	D202	D200-D202 VanDerWaalsContact C-N 3.32Å; D200-D202 WeakPolarHBondContact OD1-CB 3.49Å; D200-D202 VanDerWaalsContact OD1-CG 3.23Å; D200-D202 PolarHBondContact OD1-N 2.86Å; D200-D202 VanDerWaalsContact OD1-N 3.08Å
201	K	91.9	Very high	85.2	Confident	174 Å²	174	55.8 Å²	55.8	76%	0.757	30%	0.301	S	S	*	.			trans	64.7	33	175.7	-55.3	-172	176.6	-168	0	112.9	D198 G203	D198-K201 VanDerWaalsContact CG-CA 3.49Å; D198-K201 WeakPolarHBondContact OD1-CA 3.3Å; D198-K201 PolarHBondContact OD1-N 3.2Å; D198-K201 VanDerWaalsContact OD2-CA 3.3Å; D198-K201 WeakPolarHBondContact OD2-CA 3.46Å; K201-G203 VanDerWaalsContact C-N 3.32Å
202	D	92.6	Very high	84.6	Confident	75 Å²	75	52.9 Å²	52.9	40%	0.401	30%	0.296	S	S	.	.	S	Bend	trans	-86.3	-5.2	177.3	87.5	-9.1	0	0	0	113.5	D198 D200 F204	D198-D202 PolarHBondContact OD1-N 3.26Å; D198-D202 VanDerWaalsContact OD1-N 3.13Å; D198-D202 PolarHBondContact OD2-N 2.92Å; D200-D202 VanDerWaalsContact C-N 3.32Å; D200-D202 WeakPolarHBondContact OD1-CB 3.49Å; D200-D202 VanDerWaalsContact OD1-CG 3.23Å; D200-D202 PolarHBondContact OD1-N 2.86Å; D200-D202 VanDerWaalsContact OD1-N 3.08Å; D202-F204 VanDerWaalsContact C-N 3.34Å; D202-F204 WeakPolarHBondContact O-CD2 3.34Å; D202-F204 WeakPolarHBondContact OD1-CA 3.25Å; D202-F204 VanDerWaalsContact OD1-CB 3.31Å; D202-F204 WeakPolarHBondContact OD1-CB 3.41Å; D202-F204 WeakPolarHBondContact OD1-CD2 3.29Å; D202-F204 PolarHBondContact OD1-N 2.8Å
203	G	90.3	Very high	83.9	Confident	32 Å²	32	59.5 Å²	59.5	33%	0.33	33%	0.332	S	S	.	.	S	Bend	trans	83.3	6.6	179.3	0	0	0	0	0	114.2	D198 K201 Q249	D198-G203 VanDerWaalsContact OD2-CA 3.25Å; D198-G203 WeakPolarHBondContact OD2-CA 3.48Å; D198-G203 PolarHBondContact OD2-N 3.46Å; K201-G203 VanDerWaalsContact C-N 3.32Å; G203-Q249 PolarHBondContact O-NE2 3.31Å
204	F	92.5	Very high	82.9	Confident	63 Å²	63	62.7 Å²	62.7	28%	0.276	35%	0.351	S	S	.	.			trans	-114.1	161.4	173.7	-59.6	-90.5	0	0	0	110.3	D202 K243 L244 D245	D202-F204 VanDerWaalsContact C-N 3.34Å; D202-F204 WeakPolarHBondContact O-CD2 3.34Å; D202-F204 WeakPolarHBondContact OD1-CA 3.25Å; D202-F204 VanDerWaalsContact OD1-CB 3.31Å; D202-F204 WeakPolarHBondContact OD1-CB 3.41Å; D202-F204 WeakPolarHBondContact OD1-CD2 3.29Å; D202-F204 PolarHBondContact OD1-N 2.8Å; F204-K243 HydrophobicContact CB-CB 4.28Å; F204-K243 HydrophobicContact CB-CD 3.97Å; F204-K243 HydrophobicContact CD1-CD 3.86Å; F204-K243 HydrophobicContact CD1-CG 4.32Å; F204-K243 HydrophobicContact CG-CD 3.87Å; F204-L244 WeakPolarHBondContact CA-O 3.37Å; F204-D245 HydrophobicContact CD1-CB 4.1Å; F204-D245 HydrophobicContact CE1-CB 3.84Å
205	I	87.3	Confident	81.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	106.5	174.1	-61	175.1	0	0	0	107.9	V193 L194 E209 F210 F232 K243 L244 Q249 W252	V193-I205 HydrophobicContact CG1-CD1 3.45Å; V193-I205 VanDerWaalsContact CG1-CD1 3.45Å; L194-I205 HydrophobicContact CD2-CD1 4.09Å; L194-I205 HydrophobicContact CD2-CG1 3.98Å; I205-E209 HydrophobicContact CG2-CB 4.29Å; I205-F210 HydrophobicContact CG2-CB 4.1Å; I205-F232 WeakPolarHBondContact O-CZ 3.26Å; I205-K243 CarbonylContact O-C 3.53Å; I205-K243 WeakPolarHBondContact O-CA 3.5Å; I205-L244 HydrophobicContact CB-CB 4.32Å; I205-L244 PolarHBondContact N-O 2.97Å; I205-L244 PolarHBondContact O-N 3.41Å; I205-Q249 HydrophobicContact CD1-CG 4.15Å; I205-W252 HydrophobicContact CD1-CE3 4.41Å; I205-W252 HydrophobicContact CD1-CZ3 3.65Å
206	T	90.4	Very high	80.7	Confident	41 Å²	41	65 Å²	65	25%	0.252	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	161.1	176.8	62.9	0	0	0	0	111.1	T208 E209 F210 K243	T206-T208 PolarHBondContact O-N 2.91Å; T206-E209 WeakPolarHBondContact CB-OE2 3.34Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.37Å; T206-E209 PolarHBondContact N-OE2 3.13Å; T206-E209 WeakPolarHBondContact O-CB 3.22Å; T206-E209 PolarHBondContact O-N 3.01Å; T206-E209 VanDerWaalsContact O-N 3.08Å; T206-E209 WeakPolarHBondContact OG1-CG 3.41Å; T206-E209 PolarHBondContact OG1-N 2.82Å; T206-E209 PolarHBondContact OG1-OE2 3.24Å; T206-F210 WeakPolarHBondContact O-CB 3.05Å; T206-F210 PolarHBondContact O-N 3.09Å; T206-K243 HydrophobicContact CG2-CB 4.12Å
207	L	84.7	Confident	79.7	Confident	38 Å²	38	71.9 Å²	71.9	20%	0.199	39%	0.394	C	S	.	.	H	α-helix	trans	-54.9	-37.5	173.8	178.9	62.1	0	0	0	112.7	F210 I211 F232	L207-F210 PolarHBondContact O-N 3.43Å; L207-I211 HydrophobicContact CD1-CD1 3.6Å; L207-I211 HydrophobicContact CD1-CG1 3.95Å; L207-I211 HydrophobicContact CG-CD1 3.97Å; L207-I211 WeakPolarHBondContact O-CB 3.47Å; L207-I211 WeakPolarHBondContact O-CG1 3.46Å; L207-I211 PolarHBondContact O-N 2.93Å; L207-F232 HydrophobicContact CB-CD1 4.22Å; L207-F232 HydrophobicContact CB-CE1 4.12Å; L207-F232 HydrophobicContact CB-CZ 4.4Å; L207-F232 HydrophobicContact CD1-CB 3.72Å; L207-F232 HydrophobicContact CD1-CD1 3.9Å; L207-F232 HydrophobicContact CD1-CD2 4.22Å; L207-F232 HydrophobicContact CD1-CG 3.68Å
208	T	86	Confident	78.7	Confident	98 Å²	98	73.2 Å²	73.2	60%	0.601	42%	0.424	S	S	*	.	H	α-helix	trans	-66.2	-39.8	178.4	-52.1	0	0	0	0	111.5	T206 G212	T206-T208 PolarHBondContact O-N 2.91Å; T208-G212 WeakPolarHBondContact O-CA 3.47Å; T208-G212 PolarHBondContact O-N 3.16Å
209	E	85.9	Confident	77.9	Confident	28 Å²	28	78 Å²	78	13%	0.131	45%	0.446	C	S	.	.	H	α-helix	trans	-68.6	-42.2	175.2	-79	164	147.2	0	0	111.7	Y197 A199 I205 T206 G212	Y197-E209 WeakPolarHBondContact CD1-O 3.28Å; Y197-E209 VanDerWaalsContact O-CB 3.27Å; Y197-E209 WeakPolarHBondContact O-CB 3.27Å; Y197-E209 WeakPolarHBondContact O-CG 3.48Å; A199-E209 HydrophobicContact CB-CG 4.41Å; A199-E209 PolarHBondContact N-OE1 3.46Å; I205-E209 HydrophobicContact CG2-CB 4.29Å; T206-E209 WeakPolarHBondContact CB-OE2 3.34Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.37Å; T206-E209 PolarHBondContact N-OE2 3.13Å; T206-E209 WeakPolarHBondContact O-CB 3.22Å; T206-E209 PolarHBondContact O-N 3.01Å; T206-E209 VanDerWaalsContact O-N 3.08Å; T206-E209 WeakPolarHBondContact OG1-CG 3.41Å; T206-E209 PolarHBondContact OG1-N 2.82Å; T206-E209 PolarHBondContact OG1-OE2 3.24Å; E209-G212 PolarHBondContact O-N 3.48Å
210	F	79.4	Confident	77.2	Confident	15 Å²	15	79 Å²	79	7%	0.066	45%	0.447	C	S	.	.	H	α-helix	trans	-62.5	-47.2	178.8	-176.5	-111.1	0	0	0	113.3	Y197 I205 T206 L207 E228 F232 Y236 W252	Y197-F210 HydrophobicContact CE1-CD2 4.38Å; Y197-F210 WeakPolarHBondContact CE1-O 3.23Å; I205-F210 HydrophobicContact CG2-CB 4.1Å; T206-F210 WeakPolarHBondContact O-CB 3.05Å; T206-F210 PolarHBondContact O-N 3.09Å; L207-F210 PolarHBondContact O-N 3.43Å; F210-E228 HydrophobicContact CD1-CG 4.17Å; F210-E228 HydrophobicContact CE1-CG 3.55Å; F210-E228 WeakPolarHBondContact CE1-OE1 3.4Å; F210-E228 HydrophobicContact CZ-CG 4.36Å; F210-E228 WeakPolarHBondContact CZ-OE1 3.28Å; F210-F232 HydrophobicContact CB-CD2 3.84Å; F210-F232 HydrophobicContact CB-CE2 3.85Å; F210-F232 HydrophobicContact CD1-CB 4.07Å; F210-F232 AromaticContact CD1-CD2 3.48Å; F210-F232 HydrophobicContact CD1-CD2 3.48Å; F210-F232 VanDerWaalsContact CD1-CD2 3.48Å; F210-F232 HydrophobicContact CD1-CE2 4.34Å; F210-F232 HydrophobicContact CD1-CG 4.19Å; F210-F232 HydrophobicContact CD2-CD2 4.22Å; F210-F232 HydrophobicContact CE1-CB 4.08Å; F210-F232 AromaticContact CE1-CD2 3.99Å; F210-F232 HydrophobicContact CE1-CD2 3.99Å; F210-F232 AromaticContact CG-CD2 3.59Å; F210-F232 HydrophobicContact CG-CD2 3.59Å; F210-F232 HydrophobicContact CG-CE2 4.02Å; F210-Y236 HydrophobicContact CZ-CD2 4.17Å; F210-Y236 AromaticContact CZ-CE2 3.89Å; F210-Y236 HydrophobicContact CZ-CE2 3.89Å; F210-W252 AromaticContact CD2-CH2 3.92Å; F210-W252 HydrophobicContact CD2-CH2 3.92Å; F210-W252 HydrophobicContact CD2-CZ2 4.19Å; F210-W252 HydrophobicContact CD2-CZ3 4.25Å; F210-W252 HydrophobicContact CE2-CD2 4.44Å; F210-W252 AromaticContact CE2-CE2 3.9Å; F210-W252 AromaticContact CE2-CH2 3.86Å; F210-W252 HydrophobicContact CE2-CH2 3.86Å; F210-W252 AromaticContact CE2-CZ2 3.64Å; F210-W252 HydrophobicContact CE2-CZ2 3.64Å; F210-W252 HydrophobicContact CE2-CZ3 4.33Å
211	I	77.2	Confident	76.5	Confident	22 Å²	22	77.4 Å²	77.4	11%	0.113	44%	0.443	C	S	.	.	H	α-helix	trans	-74.1	-34.3	177.2	-67.9	-179.3	0	0	0	110.5	L207 V214 W224 E225 S229	L207-I211 HydrophobicContact CD1-CD1 3.6Å; L207-I211 HydrophobicContact CD1-CG1 3.95Å; L207-I211 HydrophobicContact CG-CD1 3.97Å; L207-I211 WeakPolarHBondContact O-CB 3.47Å; L207-I211 WeakPolarHBondContact O-CG1 3.46Å; L207-I211 PolarHBondContact O-N 2.93Å; I211-V214 HydrophobicContact CG2-CG2 4.1Å; I211-V214 WeakPolarHBondContact O-CG2 3.34Å; I211-W224 HydrophobicContact CG2-CH2 4.23Å; I211-W224 HydrophobicContact CG2-CZ3 3.83Å; I211-E225 HydrophobicContact CG2-CG 3.81Å; I211-S229 WeakPolarHBondContact CD1-OG 3.37Å
212	G	72.2	Confident	75.6	Confident	32 Å²	32	72.3 Å²	72.3	33%	0.33	43%	0.426	S	S	.	.			trans	75.2	177.8	-169.7	0	0	0	0	0	112.7	T208 E209 V214	T208-G212 WeakPolarHBondContact O-CA 3.47Å; T208-G212 PolarHBondContact O-N 3.16Å; E209-G212 PolarHBondContact O-N 3.48Å; G212-V214 VanDerWaalsContact C-N 3.3Å; G212-V214 PolarHBondContact O-N 3.15Å
213	N	64.6	Low	74.5	Confident	156 Å²	156	74.5 Å²	74.5	83%	0.834	43%	0.434	S	S	*	.	S	Bend	trans	-83.3	71.3	178.3	-70.1	-46.2	0	0	0	110.9
214	V	57.5	Low	73.4	Confident	80 Å²	80	77.6 Å²	77.6	49%	0.485	44%	0.436	S	S	.	.			trans	-78.6	-27.3	-173.8	-177.5	0	0	0	0	112.7	I211 G212 W224	I211-V214 HydrophobicContact CG2-CG2 4.1Å; I211-V214 WeakPolarHBondContact O-CG2 3.34Å; G212-V214 VanDerWaalsContact C-N 3.3Å; G212-V214 PolarHBondContact O-N 3.15Å; V214-W224 HydrophobicContact CG1-CZ3 4.46Å; V214-W224 HydrophobicContact CG2-CH2 4.42Å; V214-W224 HydrophobicContact CG2-CZ3 3.88Å
215	H	59.8	Low	72.2	Confident	66 Å²	66	75.2 Å²	75.2	31%	0.306	43%	0.425	S	S	.	.	S	Bend	trans	-126.1	157.6	176.7	76.1	64.1	0	0	0	113	E219 E225	H215-E219 HydrophobicContact CB-CB 4.25Å; H215-E225 IonicContact CD2-OE1 3.84Å; H215-E225 PolarHBondContact CD2-OE1 3.35Å; H215-E225 IonicContact CD2-OE2 3.09Å; H215-E225 IonicContact CG-OE1 3.85Å; H215-E225 IonicContact NE2-OE1 3.95Å
216	N	59.1	Low	71.5	Confident	125 Å²	125	79 Å²	79	67%	0.668	45%	0.445	S	S	*	.			trans	-73.8	149.9	172.5	-71.3	-58.9	0	0	0	110.8	G218 E219	N216-G218 PolarHBondContact O-N 2.97Å; N216-E219 PolarHBondContact O-N 2.87Å
217	E	56.1	Low	70.3	Confident	205 Å²	205	81.9 Å²	81.9	96%	0.958	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	115.5	175.4	-73.1	-172.7	165.2	0	0	111.4
218	G	59.3	Low	69.5	Low	81 Å²	81	81.2 Å²	81.2	84%	0.835	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.7	-5	176.1	0	0	0	0	0	115.9	N216	N216-G218 PolarHBondContact O-N 2.97Å
219	E	71.6	Confident	69	Low	118 Å²	118	77.8 Å²	77.8	55%	0.551	43%	0.431	S	S	*	.	S	Bend	trans	-82.2	153.9	168.3	-69.5	179	159.9	0	0	110.8	H215 N216	H215-E219 HydrophobicContact CB-CB 4.25Å; N216-E219 PolarHBondContact O-N 2.87Å
220	S	73.1	Confident	68.5	Low	104 Å²	104	80 Å²	80	73%	0.727	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-77.3	143	174.3	-62.4	0	0	0	0	109.2	T222	S220-T222 PolarHBondContact O-N 3.37Å
221	P	74.7	Confident	68	Low	73 Å²	73	81.9 Å²	81.9	47%	0.474	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-54.6	137.7	176	-22.8	31.9	0	0	0	110.8	E225 I226	P221-E225 WeakPolarHBondContact CA-OE2 3.05Å; P221-E225 HydrophobicContact CB-CB 4.13Å; P221-I226 HydrophobicContact CB-CD1 4.48Å; P221-I226 HydrophobicContact CB-CG1 4.02Å
222	T	73.8	Confident	68	Low	66 Å²	66	80.8 Å²	80.8	41%	0.405	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-63.7	160.6	168.5	62.1	0	0	0	0	110.4	S220 W224 E225 I226	S220-T222 PolarHBondContact O-N 3.37Å; T222-W224 VanDerWaalsContact C-N 3.25Å; T222-W224 PolarHBondContact O-N 3.19Å; T222-E225 WeakPolarHBondContact CB-OE2 3.5Å; T222-E225 PolarHBondContact N-OE2 2.87Å; T222-E225 PolarHBondContact O-N 3.3Å; T222-E225 VanDerWaalsContact OG1-CG 3.27Å; T222-E225 WeakPolarHBondContact OG1-CG 3.47Å; T222-E225 PolarHBondContact OG1-N 2.89Å; T222-E225 PolarHBondContact OG1-OE2 3.49Å; T222-I226 WeakPolarHBondContact O-CG1 3.47Å; T222-I226 PolarHBondContact O-N 3.33Å; T222-I226 VanDerWaalsContact O-N 3.16Å
223	Q	68.4	Low	68.4	Low	121 Å²	121	84.3 Å²	84.3	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-60	-39.5	177.3	-176.1	60.2	27.4	0	0	111.5	I226 E227	Q223-I226 WeakPolarHBondContact O-CB 3.06Å; Q223-I226 PolarHBondContact O-N 2.95Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.19Å; Q223-E227 PolarHBondContact NE2-OE1 2.73Å; Q223-E227 WeakPolarHBondContact O-CG 3.3Å; Q223-E227 PolarHBondContact O-N 3.33Å
224	W	68.2	Low	68.9	Low	98 Å²	98	82 Å²	82	37%	0.371	44%	0.442	S	S	.	.	H	α-helix	trans	-59.4	-45.7	174.3	174.1	84	0	0	0	112	I211 V214 T222 I226 E227 E228	I211-W224 HydrophobicContact CG2-CH2 4.23Å; I211-W224 HydrophobicContact CG2-CZ3 3.83Å; V214-W224 HydrophobicContact CG1-CZ3 4.46Å; V214-W224 HydrophobicContact CG2-CH2 4.42Å; V214-W224 HydrophobicContact CG2-CZ3 3.88Å; T222-W224 VanDerWaalsContact C-N 3.25Å; T222-W224 PolarHBondContact O-N 3.19Å; W224-I226 VanDerWaalsContact C-N 3.25Å; W224-I226 PolarHBondContact O-N 3.23Å; W224-E227 PolarHBondContact O-N 2.85Å; W224-E228 HydrophobicContact CH2-CG 4.33Å; W224-E228 HydrophobicContact CZ2-CB 4.26Å; W224-E228 HydrophobicContact CZ2-CG 3.91Å; W224-E228 VanDerWaalsContact O-CB 3.25Å; W224-E228 WeakPolarHBondContact O-CB 3.19Å; W224-E228 PolarHBondContact O-N 2.86Å
225	E	67.8	Low	69.4	Low	12 Å²	12	80.8 Å²	80.8	6%	0.056	43%	0.432	C	S	.	.	H	α-helix	trans	-61.6	-35.5	177.5	-74.3	168.6	119.8	0	0	112.4	I211 H215 P221 T222 S229	I211-E225 HydrophobicContact CG2-CG 3.81Å; H215-E225 IonicContact CD2-OE1 3.84Å; H215-E225 PolarHBondContact CD2-OE1 3.35Å; H215-E225 IonicContact CD2-OE2 3.09Å; H215-E225 IonicContact CG-OE1 3.85Å; H215-E225 IonicContact NE2-OE1 3.95Å; P221-E225 WeakPolarHBondContact CA-OE2 3.05Å; P221-E225 HydrophobicContact CB-CB 4.13Å; T222-E225 WeakPolarHBondContact CB-OE2 3.5Å; T222-E225 PolarHBondContact N-OE2 2.87Å; T222-E225 PolarHBondContact O-N 3.3Å; T222-E225 VanDerWaalsContact OG1-CG 3.27Å; T222-E225 WeakPolarHBondContact OG1-CG 3.47Å; T222-E225 PolarHBondContact OG1-N 2.89Å; T222-E225 PolarHBondContact OG1-OE2 3.49Å; E225-S229 WeakPolarHBondContact O-CB 3.41Å; E225-S229 PolarHBondContact O-N 3.36Å; E225-S229 PolarHBondContact O-OG 3.46Å
226	I	71.9	Confident	70.2	Confident	80 Å²	80	78.3 Å²	78.3	41%	0.41	42%	0.42	S	S	.	.	H	α-helix	trans	-67.8	-47.6	177.1	-65.2	168.4	0	0	0	110	P221 T222 Q223 W224 S229 V230	P221-I226 HydrophobicContact CB-CD1 4.48Å; P221-I226 HydrophobicContact CB-CG1 4.02Å; T222-I226 WeakPolarHBondContact O-CG1 3.47Å; T222-I226 PolarHBondContact O-N 3.33Å; T222-I226 VanDerWaalsContact O-N 3.16Å; Q223-I226 WeakPolarHBondContact O-CB 3.06Å; Q223-I226 PolarHBondContact O-N 2.95Å; W224-I226 VanDerWaalsContact C-N 3.25Å; W224-I226 PolarHBondContact O-N 3.23Å; I226-S229 PolarHBondContact O-N 3.12Å; I226-V230 VanDerWaalsContact O-CG2 3.3Å; I226-V230 WeakPolarHBondContact O-CG2 3.48Å; I226-V230 PolarHBondContact O-N 3.01Å
227	E	64.6	Low	71.4	Confident	101 Å²	101	72.6 Å²	72.6	47%	0.472	39%	0.39	S	S	.	.	H	α-helix	trans	-63.4	-45.5	179.3	-73.1	168.5	-175.2	0	0	111.3	Q223 W224 S229 V230 R231	Q223-E227 WeakPolarHBondContact CG-OE1 3.19Å; Q223-E227 PolarHBondContact NE2-OE1 2.73Å; Q223-E227 WeakPolarHBondContact O-CG 3.3Å; Q223-E227 PolarHBondContact O-N 3.33Å; W224-E227 PolarHBondContact O-N 2.85Å; E227-S229 VanDerWaalsContact C-N 3.35Å; E227-S229 PolarHBondContact O-N 3.43Å; E227-V230 WeakPolarHBondContact O-CB 3.47Å; E227-V230 PolarHBondContact O-N 2.77Å; E227-V230 VanDerWaalsContact O-N 3.12Å; E227-R231 WeakPolarHBondContact O-CG 3.22Å; E227-R231 PolarHBondContact O-N 3.33Å
228	E	67.8	Low	72.7	Confident	24 Å²	24	68.4 Å²	68.4	11%	0.112	37%	0.37	C	S	.	.	H	α-helix	trans	-68.5	-34.9	179.7	-159.4	57.8	-158.1	0	0	111.9	F210 W224 V230 R231 F232	F210-E228 HydrophobicContact CD1-CG 4.17Å; F210-E228 HydrophobicContact CE1-CG 3.55Å; F210-E228 WeakPolarHBondContact CE1-OE1 3.4Å; F210-E228 HydrophobicContact CZ-CG 4.36Å; F210-E228 WeakPolarHBondContact CZ-OE1 3.28Å; W224-E228 HydrophobicContact CH2-CG 4.33Å; W224-E228 HydrophobicContact CZ2-CB 4.26Å; W224-E228 HydrophobicContact CZ2-CG 3.91Å; W224-E228 VanDerWaalsContact O-CB 3.25Å; W224-E228 WeakPolarHBondContact O-CB 3.19Å; W224-E228 PolarHBondContact O-N 2.86Å; E228-V230 VanDerWaalsContact C-N 3.31Å; E228-V230 PolarHBondContact O-N 2.86Å; E228-R231 PolarHBondContact O-N 2.83Å; E228-R231 IonicContact OE1-CZ 2.84Å; E228-R231 IonicContact OE1-NH1 3.16Å; E228-R231 PolarHBondContact OE1-NH1 3.22Å; E228-R231 WeakPolarHBondContact OE2-CD 3.36Å; E228-R231 IonicContact OE2-CZ 2.78Å; E228-R231 IonicContact OE2-NH1 3.21Å; E228-R231 PolarHBondContact OE2-NH1 2.59Å; E228-F232 WeakPolarHBondContact O-CB 3.5Å; E228-F232 PolarHBondContact O-N 3.37Å
229	S	76.4	Confident	74.1	Confident	27 Å²	27	69 Å²	69	19%	0.189	35%	0.354	C	S	.	.	H	α-helix	trans	-63.8	-36	170.8	-67	0	0	0	0	113.3	I211 E225 I226 E227 K233	I211-S229 WeakPolarHBondContact CD1-OG 3.37Å; E225-S229 WeakPolarHBondContact O-CB 3.41Å; E225-S229 PolarHBondContact O-N 3.36Å; E225-S229 PolarHBondContact O-OG 3.46Å; I226-S229 PolarHBondContact O-N 3.12Å; E227-S229 VanDerWaalsContact C-N 3.35Å; E227-S229 PolarHBondContact O-N 3.43Å; S229-K233 WeakPolarHBondContact O-CG 3.44Å; S229-K233 PolarHBondContact O-N 3.41Å
230	V	74.8	Confident	75	Confident	75 Å²	75	70.7 Å²	70.7	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-71.5	-45.7	175.8	171.4	0	0	0	0	109.3	I226 E227 E228 F232 K233 D234	I226-V230 VanDerWaalsContact O-CG2 3.3Å; I226-V230 WeakPolarHBondContact O-CG2 3.48Å; I226-V230 PolarHBondContact O-N 3.01Å; E227-V230 WeakPolarHBondContact O-CB 3.47Å; E227-V230 PolarHBondContact O-N 2.77Å; E227-V230 VanDerWaalsContact O-N 3.12Å; E228-V230 VanDerWaalsContact C-N 3.31Å; E228-V230 PolarHBondContact O-N 2.86Å; V230-F232 PolarHBondContact O-N 3.17Å; V230-K233 PolarHBondContact O-N 3.36Å; V230-D234 WeakPolarHBondContact CG1-OD2 3.34Å; V230-D234 WeakPolarHBondContact O-CB 3.09Å; V230-D234 PolarHBondContact O-N 2.94Å
231	R	68.6	Low	75.9	Confident	53 Å²	53	69.1 Å²	69.1	20%	0.2	35%	0.346	C	S	.	.	H	α-helix	trans	-56.6	-48.6	175.7	-73.4	175.2	78.8	-117.2	-0.3	111.7	E227 E228 K233 D234 L235 Y236 E263	E227-R231 WeakPolarHBondContact O-CG 3.22Å; E227-R231 PolarHBondContact O-N 3.33Å; E228-R231 PolarHBondContact O-N 2.83Å; E228-R231 IonicContact OE1-CZ 2.84Å; E228-R231 IonicContact OE1-NH1 3.16Å; E228-R231 PolarHBondContact OE1-NH1 3.22Å; E228-R231 WeakPolarHBondContact OE2-CD 3.36Å; E228-R231 IonicContact OE2-CZ 2.78Å; E228-R231 IonicContact OE2-NH1 3.21Å; E228-R231 PolarHBondContact OE2-NH1 2.59Å; R231-K233 VanDerWaalsContact C-N 3.29Å; R231-K233 PolarHBondContact O-N 3.31Å; R231-D234 PolarHBondContact O-N 3.18Å; R231-L235 HydrophobicContact CB-CD1 4.35Å; R231-L235 HydrophobicContact CG-CD1 4.33Å; R231-L235 VanDerWaalsContact O-CB 3.28Å; R231-L235 WeakPolarHBondContact O-CB 3.11Å; R231-L235 PolarHBondContact O-N 2.67Å; R231-Y236 PolarHBondContact NH2-OH 3.25Å; R231-E263 IonicContact CZ-OE1 3.39Å; R231-E263 IonicContact CZ-OE2 2.86Å; R231-E263 IonicContact NE-OE1 2.96Å; R231-E263 PolarHBondContact NE-OE1 2.87Å; R231-E263 IonicContact NE-OE2 2.59Å; R231-E263 PolarHBondContact NE-OE2 3.21Å; R231-E263 IonicContact NH2-OE1 3.97Å; R231-E263 IonicContact NH2-OE2 3.61Å; R231-E263 PolarHBondContact NH2-OE2 3.24Å
232	F	77.4	Confident	76.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.339	C	S	.	.	I	π-helix	trans	-52.5	-48.7	177.1	-178.1	-85.3	0	0	0	111.9	I205 L207 F210 E228 V230 Y236 D237 L244	I205-F232 WeakPolarHBondContact O-CZ 3.26Å; L207-F232 HydrophobicContact CB-CD1 4.22Å; L207-F232 HydrophobicContact CB-CE1 4.12Å; L207-F232 HydrophobicContact CB-CZ 4.4Å; L207-F232 HydrophobicContact CD1-CB 3.72Å; L207-F232 HydrophobicContact CD1-CD1 3.9Å; L207-F232 HydrophobicContact CD1-CD2 4.22Å; L207-F232 HydrophobicContact CD1-CG 3.68Å; F210-F232 HydrophobicContact CB-CD2 3.84Å; F210-F232 HydrophobicContact CB-CE2 3.85Å; F210-F232 HydrophobicContact CD1-CB 4.07Å; F210-F232 AromaticContact CD1-CD2 3.48Å; F210-F232 HydrophobicContact CD1-CD2 3.48Å; F210-F232 VanDerWaalsContact CD1-CD2 3.48Å; F210-F232 HydrophobicContact CD1-CE2 4.34Å; F210-F232 HydrophobicContact CD1-CG 4.19Å; F210-F232 HydrophobicContact CD2-CD2 4.22Å; F210-F232 HydrophobicContact CE1-CB 4.08Å; F210-F232 AromaticContact CE1-CD2 3.99Å; F210-F232 HydrophobicContact CE1-CD2 3.99Å; F210-F232 AromaticContact CG-CD2 3.59Å; F210-F232 HydrophobicContact CG-CD2 3.59Å; F210-F232 HydrophobicContact CG-CE2 4.02Å; E228-F232 WeakPolarHBondContact O-CB 3.5Å; E228-F232 PolarHBondContact O-N 3.37Å; V230-F232 PolarHBondContact O-N 3.17Å; F232-Y236 PolarHBondContact O-N 2.73Å; F232-D237 HydrophobicContact CD1-CB 4.15Å; F232-D237 HydrophobicContact CE1-CB 3.92Å; F232-D237 WeakPolarHBondContact O-CB 3.19Å; F232-D237 PolarHBondContact O-N 2.8Å; F232-L244 HydrophobicContact CD2-CD1 4.27Å; F232-L244 HydrophobicContact CD2-CD2 4.37Å; F232-L244 HydrophobicContact CD2-CG 4.36Å; F232-L244 HydrophobicContact CE1-CD2 4.19Å; F232-L244 HydrophobicContact CE2-CD1 3.71Å; F232-L244 HydrophobicContact CE2-CD2 3.76Å; F232-L244 HydrophobicContact CE2-CG 3.47Å; F232-L244 VanDerWaalsContact CE2-CG 3.47Å; F232-L244 HydrophobicContact CZ-CD1 4.37Å; F232-L244 HydrophobicContact CZ-CD2 3.65Å; F232-L244 HydrophobicContact CZ-CG 3.62Å
233	K	80.6	Confident	77.4	Confident	105 Å²	105	67.1 Å²	67.1	46%	0.457	33%	0.333	S	S	.	.	I	π-helix	trans	-73.3	-39.5	-176.9	-72.9	176.1	-178	171.9	0	113.9	S229 V230 R231	S229-K233 WeakPolarHBondContact O-CG 3.44Å; S229-K233 PolarHBondContact O-N 3.41Å; V230-K233 PolarHBondContact O-N 3.36Å; R231-K233 VanDerWaalsContact C-N 3.29Å; R231-K233 PolarHBondContact O-N 3.31Å
234	D	74.7	Confident	78.4	Confident	108 Å²	108	61.3 Å²	61.3	58%	0.578	31%	0.306	S	S	*	.	I	π-helix	trans	-88.8	-27.7	-170.4	-71.4	-6.7	0	0	0	112.2	V230 R231	V230-D234 WeakPolarHBondContact CG1-OD2 3.34Å; V230-D234 WeakPolarHBondContact O-CB 3.09Å; V230-D234 PolarHBondContact O-N 2.94Å; R231-D234 PolarHBondContact O-N 3.18Å
235	L	69.6	Low	79.4	Confident	55 Å²	55	58.9 Å²	58.9	29%	0.288	30%	0.3	S	S	.	.	I	π-helix	trans	-107.6	-41.5	-174.9	-57.1	179.3	0	0	0	112.9	R231 Q238	R231-L235 HydrophobicContact CB-CD1 4.35Å; R231-L235 HydrophobicContact CG-CD1 4.33Å; R231-L235 VanDerWaalsContact O-CB 3.28Å; R231-L235 WeakPolarHBondContact O-CB 3.11Å; R231-L235 PolarHBondContact O-N 2.67Å; L235-Q238 PolarHBondContact O-NE2 2.83Å
236	Y	76.2	Confident	80.3	Confident	14 Å²	14	64 Å²	64	6%	0.055	32%	0.319	C	S	.	.	I	π-helix	trans	-102.4	-47	-168.8	-51.7	-42.9	0	0	0	113.4	F210 R231 F232 Q238 E248 W252	F210-Y236 HydrophobicContact CZ-CD2 4.17Å; F210-Y236 AromaticContact CZ-CE2 3.89Å; F210-Y236 HydrophobicContact CZ-CE2 3.89Å; R231-Y236 PolarHBondContact NH2-OH 3.25Å; F232-Y236 PolarHBondContact O-N 2.73Å; Y236-Q238 PolarHBondContact O-N 3.28Å; Y236-Q238 VanDerWaalsContact O-N 3.09Å; Y236-E248 WeakPolarHBondContact O-CB 3.33Å; Y236-E248 WeakPolarHBondContact O-CG 3.42Å; Y236-W252 HydrophobicContact CD1-CB 4.01Å; Y236-W252 HydrophobicContact CD1-CG 4.42Å; Y236-W252 HydrophobicContact CE1-CB 4.32Å; Y236-W252 AromaticContact CE1-CD1 3.97Å; Y236-W252 HydrophobicContact CE1-CG 4.4Å; Y236-W252 HydrophobicContact CG-CB 4.35Å; Y236-W252 AromaticContact CZ-CD1 3.9Å
237	D	84.4	Confident	80.8	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.027	32%	0.323	C	S	.	.			trans	-81.6	79.2	-179.9	-180	15.5	0	0	0	111.2	F232 Q240 N241 G242 L244	F232-D237 HydrophobicContact CD1-CB 4.15Å; F232-D237 HydrophobicContact CE1-CB 3.92Å; F232-D237 WeakPolarHBondContact O-CB 3.19Å; F232-D237 PolarHBondContact O-N 2.8Å; D237-Q240 PolarHBondContact O-N 2.76Å; D237-Q240 WeakPolarHBondContact OD1-CA 3.46Å; D237-Q240 PolarHBondContact OD1-N 3.4Å; D237-Q240 WeakPolarHBondContact OD2-CA 3.14Å; D237-N241 PolarHBondContact OD1-N 3.35Å; D237-G242 PolarHBondContact OD1-N 3.34Å; D237-G242 WeakPolarHBondContact OD2-CA 3.44Å; D237-G242 PolarHBondContact OD2-N 2.82Å; D237-L244 HydrophobicContact CB-CD2 4.01Å
238	Q	83.7	Confident	81.8	Confident	116 Å²	116	60 Å²	60	54%	0.542	30%	0.302	S	S	.	.	S	Bend	trans	-69.1	-36	-172.6	-70.5	-67.7	-46.6	0	0	112.4	L235 Y236 Q240 E248	L235-Q238 PolarHBondContact O-NE2 2.83Å; Y236-Q238 PolarHBondContact O-N 3.28Å; Y236-Q238 VanDerWaalsContact O-N 3.09Å; Q238-Q240 VanDerWaalsContact C-N 3.31Å; Q238-E248 HydrophobicContact CB-CG 4.5Å; Q238-E248 PolarHBondContact N-OE1 2.96Å
239	D	88.9	Confident	82.4	Confident	94 Å²	94	58.9 Å²	58.9	50%	0.503	30%	0.297	S	S	.	.	S	Bend	trans	-87.2	-3.9	178.2	82.2	-5.2	0	0	0	113.4	N241 E248	D239-N241 PolarHBondContact O-N 2.99Å; D239-N241 WeakPolarHBondContact OD1-CB 3.18Å; D239-N241 PolarHBondContact OD1-N 3.38Å; D239-N241 PolarHBondContact OD1-ND2 3.17Å; D239-N241 PolarHBondContact OD2-ND2 3.09Å; D239-E248 PolarHBondContact N-OE1 2.85Å
240	Q	90.3	Very high	82.4	Confident	154 Å²	154	59.4 Å²	59.4	72%	0.72	30%	0.297	S	S	*	.			trans	59.5	32.2	177.9	-55.6	-172.6	-31.3	0	0	113.1	D237 Q238 G242	D237-Q240 PolarHBondContact O-N 2.76Å; D237-Q240 WeakPolarHBondContact OD1-CA 3.46Å; D237-Q240 PolarHBondContact OD1-N 3.4Å; D237-Q240 WeakPolarHBondContact OD2-CA 3.14Å; Q238-Q240 VanDerWaalsContact C-N 3.31Å; Q240-G242 VanDerWaalsContact C-N 3.31Å
241	N	90.9	Very high	82.1	Confident	71 Å²	71	62.6 Å²	62.6	38%	0.38	30%	0.301	S	S	.	.	S	Bend	trans	-84.7	-7.3	179.6	75.7	28.1	0	0	0	112.6	D237 D239 K243	D237-N241 PolarHBondContact OD1-N 3.35Å; D239-N241 PolarHBondContact O-N 2.99Å; D239-N241 WeakPolarHBondContact OD1-CB 3.18Å; D239-N241 PolarHBondContact OD1-N 3.38Å; D239-N241 PolarHBondContact OD1-ND2 3.17Å; D239-N241 PolarHBondContact OD2-ND2 3.09Å; N241-K243 WeakPolarHBondContact OD1-CG 3.41Å; N241-K243 PolarHBondContact OD1-N 3.2Å; N241-K243 PolarHBondContact OD1-O 3.5Å
242	G	89.3	Confident	82.2	Confident	33 Å²	33	62.5 Å²	62.5	34%	0.34	30%	0.3	S	S	.	.	S	Bend	trans	87.5	9.2	178	0	0	0	0	0	115.3	D237 Q240	D237-G242 PolarHBondContact OD1-N 3.34Å; D237-G242 WeakPolarHBondContact OD2-CA 3.44Å; D237-G242 PolarHBondContact OD2-N 2.82Å; Q240-G242 VanDerWaalsContact C-N 3.31Å
243	K	92.1	Very high	81.7	Confident	63 Å²	63	62.8 Å²	62.8	27%	0.274	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	140.6	180	56.6	173.3	-168.2	155.7	0	111.3	F204 I205 T206 N241 D245	F204-K243 HydrophobicContact CB-CB 4.28Å; F204-K243 HydrophobicContact CB-CD 3.97Å; F204-K243 HydrophobicContact CD1-CD 3.86Å; F204-K243 HydrophobicContact CD1-CG 4.32Å; F204-K243 HydrophobicContact CG-CD 3.87Å; I205-K243 CarbonylContact O-C 3.53Å; I205-K243 WeakPolarHBondContact O-CA 3.5Å; T206-K243 HydrophobicContact CG2-CB 4.12Å; N241-K243 WeakPolarHBondContact OD1-CG 3.41Å; N241-K243 PolarHBondContact OD1-N 3.2Å; N241-K243 PolarHBondContact OD1-O 3.5Å; K243-D245 PolarHBondContact O-N 3.49Å
244	L	88.3	Confident	80.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.3	-179.8	-50.3	-177	0	0	0	109.8	F204 I205 F232 D237 E248 Q249 W252	F204-L244 WeakPolarHBondContact CA-O 3.37Å; I205-L244 HydrophobicContact CB-CB 4.32Å; I205-L244 PolarHBondContact N-O 2.97Å; I205-L244 PolarHBondContact O-N 3.41Å; F232-L244 HydrophobicContact CD2-CD1 4.27Å; F232-L244 HydrophobicContact CD2-CD2 4.37Å; F232-L244 HydrophobicContact CD2-CG 4.36Å; F232-L244 HydrophobicContact CE1-CD2 4.19Å; F232-L244 HydrophobicContact CE2-CD1 3.71Å; F232-L244 HydrophobicContact CE2-CD2 3.76Å; F232-L244 HydrophobicContact CE2-CG 3.47Å; F232-L244 VanDerWaalsContact CE2-CG 3.47Å; F232-L244 HydrophobicContact CZ-CD1 4.37Å; F232-L244 HydrophobicContact CZ-CD2 3.65Å; F232-L244 HydrophobicContact CZ-CG 3.62Å; D237-L244 HydrophobicContact CB-CD2 4.01Å; L244-E248 WeakPolarHBondContact CA-OE2 3.42Å; L244-E248 HydrophobicContact CB-CB 4.11Å; L244-E248 HydrophobicContact CD2-CB 4.23Å; L244-Q249 HydrophobicContact CB-CG 3.93Å; L244-Q249 PolarHBondContact O-NE2 3.03Å; L244-W252 HydrophobicContact CD1-CE3 3.89Å; L244-W252 HydrophobicContact CD1-CZ3 4.44Å
245	D	90.3	Very high	79.5	Confident	47 Å²	47	55 Å²	55	25%	0.251	27%	0.27	S	S	.	.			trans	-78.8	178.8	166.8	76.7	24.6	0	0	0	112.1	F204 K243 D247 E248 Q249	F204-D245 HydrophobicContact CD1-CB 4.1Å; F204-D245 HydrophobicContact CE1-CB 3.84Å; K243-D245 PolarHBondContact O-N 3.49Å; D245-D247 VanDerWaalsContact C-N 3.28Å; D245-D247 PolarHBondContact O-N 3.31Å; D245-D247 WeakPolarHBondContact OD1-CA 3.3Å; D245-D247 WeakPolarHBondContact OD1-CB 2.85Å; D245-D247 PolarHBondContact OD1-N 2.83Å; D245-E248 PolarHBondContact N-OE2 2.96Å; D245-E248 PolarHBondContact O-N 3.1Å; D245-E248 PolarHBondContact OD1-N 2.89Å; D245-Q249 WeakPolarHBondContact O-CB 3.5Å; D245-Q249 WeakPolarHBondContact O-CG 3.36Å; D245-Q249 PolarHBondContact O-N 2.9Å; D245-Q249 PolarHBondContact O-NE2 3Å
246	R	86.1	Confident	78.9	Confident	118 Å²	118	53.7 Å²	53.7	45%	0.445	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-37.5	-178.2	-170.5	-177.6	-171	-79.5	-1.4	113.4	D187 L250	D187-R246 IonicContact OD1-CZ 2.79Å; D187-R246 IonicContact OD1-NH1 3.91Å; D187-R246 IonicContact OD1-NH2 2.75Å; D187-R246 PolarHBondContact OD1-NH2 3.46Å; D187-R246 IonicContact OD2-NH2 3.48Å; R246-L250 VanDerWaalsContact NH1-CD1 3.27Å; R246-L250 WeakPolarHBondContact O-CB 3.16Å; R246-L250 VanDerWaalsContact O-CG 3.26Å; R246-L250 WeakPolarHBondContact O-CG 3.16Å; R246-L250 PolarHBondContact O-N 3.36Å
247	D	82.9	Confident	78.3	Confident	93 Å²	93	54.3 Å²	54.3	50%	0.497	27%	0.27	S	S	.	.	H	α-helix	trans	-76.1	-29	-178	-71.6	-17.6	0	0	0	111.2	D245 R251	D245-D247 VanDerWaalsContact C-N 3.28Å; D245-D247 PolarHBondContact O-N 3.31Å; D245-D247 WeakPolarHBondContact OD1-CA 3.3Å; D245-D247 WeakPolarHBondContact OD1-CB 2.85Å; D245-D247 PolarHBondContact OD1-N 2.83Å; D247-R251 PolarHBondContact O-N 3.37Å; D247-R251 PolarHBondContact O-NE 3.45Å
248	E	84.5	Confident	77.8	Confident	5 Å²	5	57.5 Å²	57.5	2%	0.023	28%	0.282	C	S	.	.	H	α-helix	trans	-77.5	-41.9	172.9	-67.4	171.6	147.3	0	0	112.1	Y236 Q238 D239 L244 D245 L250 R251 W252	Y236-E248 WeakPolarHBondContact O-CB 3.33Å; Y236-E248 WeakPolarHBondContact O-CG 3.42Å; Q238-E248 HydrophobicContact CB-CG 4.5Å; Q238-E248 PolarHBondContact N-OE1 2.96Å; D239-E248 PolarHBondContact N-OE1 2.85Å; L244-E248 WeakPolarHBondContact CA-OE2 3.42Å; L244-E248 HydrophobicContact CB-CB 4.11Å; L244-E248 HydrophobicContact CD2-CB 4.23Å; D245-E248 PolarHBondContact N-OE2 2.96Å; D245-E248 PolarHBondContact O-N 3.1Å; D245-E248 PolarHBondContact OD1-N 2.89Å; E248-L250 VanDerWaalsContact C-N 3.3Å; E248-L250 PolarHBondContact O-N 3.33Å; E248-R251 WeakPolarHBondContact O-CA 3.42Å; E248-R251 WeakPolarHBondContact O-CB 3.47Å; E248-R251 PolarHBondContact O-N 3.2Å; E248-W252 PolarHBondContact O-N 3.01Å
249	Q	80.9	Confident	77.1	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-46.5	168.8	-69.6	161.4	26.4	0	0	110	V190 G203 I205 L244 D245 R251 W252 V253	V190-Q249 HydrophobicContact CG1-CB 4.33Å; V190-Q249 HydrophobicContact CG2-CB 4.48Å; G203-Q249 PolarHBondContact O-NE2 3.31Å; I205-Q249 HydrophobicContact CD1-CG 4.15Å; L244-Q249 HydrophobicContact CB-CG 3.93Å; L244-Q249 PolarHBondContact O-NE2 3.03Å; D245-Q249 WeakPolarHBondContact O-CB 3.5Å; D245-Q249 WeakPolarHBondContact O-CG 3.36Å; D245-Q249 PolarHBondContact O-N 2.9Å; D245-Q249 PolarHBondContact O-NE2 3Å; Q249-R251 PolarHBondContact O-N 2.83Å; Q249-W252 PolarHBondContact O-N 3.29Å; Q249-W252 VanDerWaalsContact O-N 3.13Å; Q249-V253 WeakPolarHBondContact O-CG2 3.05Å; Q249-V253 PolarHBondContact O-N 3.49Å
250	L	75.2	Confident	76.3	Confident	37 Å²	37	51.2 Å²	51.2	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-26	174.3	-88.1	177	0	0	0	113	A186 V190 R246 E248 A254	A186-L250 HydrophobicContact CB-CD2 3.58Å; V190-L250 HydrophobicContact CG2-CB 4.44Å; V190-L250 HydrophobicContact CG2-CD2 3.44Å; V190-L250 VanDerWaalsContact CG2-CD2 3.44Å; V190-L250 HydrophobicContact CG2-CG 3.71Å; R246-L250 VanDerWaalsContact NH1-CD1 3.27Å; R246-L250 WeakPolarHBondContact O-CB 3.16Å; R246-L250 VanDerWaalsContact O-CG 3.26Å; R246-L250 WeakPolarHBondContact O-CG 3.16Å; R246-L250 PolarHBondContact O-N 3.36Å; E248-L250 VanDerWaalsContact C-N 3.3Å; E248-L250 PolarHBondContact O-N 3.33Å; L250-A254 WeakPolarHBondContact O-CA 3.13Å; L250-A254 WeakPolarHBondContact O-CB 3.25Å; L250-A254 PolarHBondContact O-N 2.89Å
251	R	69.8	Low	75.7	Confident	143 Å²	143	43.9 Å²	43.9	54%	0.54	23%	0.228	S	C	.	.	H	α-helix	trans	-84	-33.2	175.4	-87.4	-179.7	-97.6	-101.6	-1.4	112.7	D247 E248 Q249 A254	D247-R251 PolarHBondContact O-N 3.37Å; D247-R251 PolarHBondContact O-NE 3.45Å; E248-R251 WeakPolarHBondContact O-CA 3.42Å; E248-R251 WeakPolarHBondContact O-CB 3.47Å; E248-R251 PolarHBondContact O-N 3.2Å; Q249-R251 PolarHBondContact O-N 2.83Å; R251-A254 WeakPolarHBondContact O-CB 3.42Å
252	W	69.3	Low	75.1	Confident	50 Å²	50	45.6 Å²	45.6	19%	0.189	23%	0.229	C	C	.	.	H	α-helix	trans	-68.1	-47.6	173	169.2	32.9	0	0	0	111	V193 Y197 I205 F210 Y236 L244 E248 Q249 A254	V193-W252 HydrophobicContact CB-CZ3 4.39Å; V193-W252 HydrophobicContact CG1-CE3 3.68Å; V193-W252 HydrophobicContact CG1-CH2 3.45Å; V193-W252 VanDerWaalsContact CG1-CH2 3.45Å; V193-W252 HydrophobicContact CG1-CZ2 4.37Å; V193-W252 HydrophobicContact CG1-CZ3 3.05Å; V193-W252 HydrophobicContact CG2-CH2 4.35Å; Y197-W252 HydrophobicContact CD1-CH2 4.39Å; Y197-W252 AromaticContact CD2-CH2 3.66Å; Y197-W252 HydrophobicContact CD2-CH2 3.66Å; Y197-W252 HydrophobicContact CD2-CZ3 4.42Å; Y197-W252 HydrophobicContact CE1-CH2 4.27Å; Y197-W252 AromaticContact CE2-CH2 3.55Å; Y197-W252 HydrophobicContact CE2-CH2 3.55Å; Y197-W252 HydrophobicContact CE2-CZ2 4.06Å; Y197-W252 HydrophobicContact CG-CH2 4.08Å; Y197-W252 AromaticContact CZ-CH2 3.86Å; I205-W252 HydrophobicContact CD1-CE3 4.41Å; I205-W252 HydrophobicContact CD1-CZ3 3.65Å; F210-W252 AromaticContact CD2-CH2 3.92Å; F210-W252 HydrophobicContact CD2-CH2 3.92Å; F210-W252 HydrophobicContact CD2-CZ2 4.19Å; F210-W252 HydrophobicContact CD2-CZ3 4.25Å; F210-W252 HydrophobicContact CE2-CD2 4.44Å; F210-W252 AromaticContact CE2-CE2 3.9Å; F210-W252 AromaticContact CE2-CH2 3.86Å; F210-W252 HydrophobicContact CE2-CH2 3.86Å; F210-W252 AromaticContact CE2-CZ2 3.64Å; F210-W252 HydrophobicContact CE2-CZ2 3.64Å; F210-W252 HydrophobicContact CE2-CZ3 4.33Å; Y236-W252 HydrophobicContact CD1-CB 4.01Å; Y236-W252 HydrophobicContact CD1-CG 4.42Å; Y236-W252 HydrophobicContact CE1-CB 4.32Å; Y236-W252 AromaticContact CE1-CD1 3.97Å; Y236-W252 HydrophobicContact CE1-CG 4.4Å; Y236-W252 HydrophobicContact CG-CB 4.35Å; Y236-W252 AromaticContact CZ-CD1 3.9Å; L244-W252 HydrophobicContact CD1-CE3 3.89Å; L244-W252 HydrophobicContact CD1-CZ3 4.44Å; E248-W252 PolarHBondContact O-N 3.01Å; Q249-W252 PolarHBondContact O-N 3.29Å; Q249-W252 VanDerWaalsContact O-N 3.13Å; W252-A254 VanDerWaalsContact C-N 3.25Å; W252-A254 PolarHBondContact O-N 3.37Å
253	V	67.5	Low	74.4	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.036	23%	0.23	C	C	.	.	S	Bend	trans	-89.1	7.5	175.7	-51.7	0	0	0	0	112.5	F180 A189 V190 V193 Q249	F180-V253 HydrophobicContact CD1-CB 4.4Å; F180-V253 HydrophobicContact CE1-CB 4.08Å; F180-V253 HydrophobicContact CE1-CG1 4.47Å; A189-V253 HydrophobicContact CB-CB 4.17Å; A189-V253 HydrophobicContact CB-CG2 4.19Å; V190-V253 HydrophobicContact CB-CG2 4.39Å; V190-V253 HydrophobicContact CG2-CG2 3.43Å; V190-V253 VanDerWaalsContact CG2-CG2 3.43Å; V193-V253 HydrophobicContact CB-CG1 3.94Å; V193-V253 HydrophobicContact CG1-CG1 4.18Å; V193-V253 HydrophobicContact CG2-CG1 3.42Å; V193-V253 VanDerWaalsContact CG2-CG1 3.42Å; Q249-V253 WeakPolarHBondContact O-CG2 3.05Å; Q249-V253 PolarHBondContact O-N 3.49Å
254	A	57.1	Low	73.8	Confident	24 Å²	24	46.1 Å²	46.1	20%	0.198	22%	0.223	C	C	.	.			trans	-53.5	145.5	-168.5	0	0	0	0	0	111.6	L250 R251 W252 N256	L250-A254 WeakPolarHBondContact O-CA 3.13Å; L250-A254 WeakPolarHBondContact O-CB 3.25Å; L250-A254 PolarHBondContact O-N 2.89Å; R251-A254 WeakPolarHBondContact O-CB 3.42Å; W252-A254 VanDerWaalsContact C-N 3.25Å; W252-A254 PolarHBondContact O-N 3.37Å; A254-N256 PolarHBondContact O-N 3.31Å
255	P	53	Low	73.5	Confident	25 Å²	25	46.1 Å²	46.1	16%	0.162	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	140.1	171.7	-9.4	21	0	0	0	109.7	F180 D183 A186	F180-P255 CarbonylContact O-C 3.56Å; F180-P255 WeakPolarHBondContact O-CA 3.48Å; D183-P255 VanDerWaalsContact CA-CG 3.5Å; D183-P255 HydrophobicContact CB-CG 4.25Å; D183-P255 WeakPolarHBondContact OD1-CB 2.79Å; D183-P255 WeakPolarHBondContact OD1-CG 3.08Å; A186-P255 HydrophobicContact CB-CG 4.15Å
256	N	55.4	Low	73.1	Confident	28 Å²	28	48.1 Å²	48.1	15%	0.15	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	22.9	173.2	-37.6	-85.9	0	0	0	115.7	Q90 F180 E181 A254 Y258	Q90-N256 HydrophobicContact CG-CB 3.88Å; Q90-N256 WeakPolarHBondContact CG-O 3.36Å; Q90-N256 PolarHBondContact NE2-O 3.13Å; F180-N256 PolarHBondContact O-N 3.4Å; E181-N256 WeakPolarHBondContact OE2-CA 3.26Å; A254-N256 PolarHBondContact O-N 3.31Å; N256-Y258 PolarHBondContact O-N 2.79Å
257	S	65.3	Low	72.8	Confident	27 Å²	27	44.9 Å²	44.9	19%	0.189	22%	0.223	C	C	.	.			trans	56.1	25.7	159	-62	0	0	0	0	116.3	E181 G259 S260 A261	E181-S257 PolarHBondContact OE1-OG 2.88Å; S257-G259 PolarHBondContact O-N 2.96Å; S257-S260 PolarHBondContact O-N 2.94Å; S257-A261 VanDerWaalsContact O-CB 3.25Å; S257-A261 WeakPolarHBondContact O-CB 3.35Å; S257-A261 PolarHBondContact O-N 2.59Å
258	Y	72.3	Confident	72.9	Confident	72 Å²	72	40.5 Å²	40.5	28%	0.282	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-39.4	-171.6	178.3	-88.3	0	0	0	112.9	E83 T86 L87 N256 A261 R262	E83-Y258 PolarHBondContact OE1-OH 3.33Å; E83-Y258 PolarHBondContact OE2-OH 3.38Å; T86-Y258 HydrophobicContact CG2-CD2 3.61Å; T86-Y258 HydrophobicContact CG2-CE2 3.39Å; T86-Y258 HydrophobicContact CG2-CG 4.28Å; L87-Y258 HydrophobicContact CD2-CE2 4.32Å; N256-Y258 PolarHBondContact O-N 2.79Å; Y258-A261 PolarHBondContact O-N 3.46Å; Y258-R262 HydrophobicContact CE1-CB 4.44Å; Y258-R262 WeakPolarHBondContact O-CB 3.49Å; Y258-R262 PolarHBondContact O-N 3.06Å
259	G	69.3	Low	73	Confident	23 Å²	23	40.9 Å²	40.9	24%	0.237	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-50.9	177.5	0	0	0	0	0	111.9	S257 R262 E263	S257-G259 PolarHBondContact O-N 2.96Å; G259-R262 PolarHBondContact O-N 2.93Å; G259-E263 PolarHBondContact O-N 3.48Å
260	S	72.1	Confident	73.3	Confident	55 Å²	55	49 Å²	49	39%	0.385	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-46	176.3	-47	0	0	0	0	111.9	S257 R262 E263 E264	S257-S260 PolarHBondContact O-N 2.94Å; S260-R262 PolarHBondContact O-N 2.75Å; S260-E263 PolarHBondContact O-N 2.67Å; S260-E264 PolarHBondContact O-N 3.44Å
261	A	77.3	Confident	73.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-36.5	177.1	0	0	0	0	0	112.2	T86 I89 Q90 Y93 S257 Y258 A265	T86-A261 HydrophobicContact CG2-CB 4.15Å; I89-A261 HydrophobicContact CB-CB 3.94Å; I89-A261 HydrophobicContact CG2-CB 3.69Å; Q90-A261 HydrophobicContact CB-CB 4.21Å; Y93-A261 HydrophobicContact CE2-CB 4.2Å; S257-A261 VanDerWaalsContact O-CB 3.25Å; S257-A261 WeakPolarHBondContact O-CB 3.35Å; S257-A261 PolarHBondContact O-N 2.59Å; Y258-A261 PolarHBondContact O-N 3.46Å; A261-A265 WeakPolarHBondContact O-CB 3.46Å; A261-A265 PolarHBondContact O-N 3.21Å
262	R	79.4	Confident	74.6	Confident	108 Å²	108	44.3 Å²	44.3	41%	0.408	22%	0.221	S	C	.	.	H	α-helix	trans	-71.4	-41.8	177.6	-178.1	177.4	172	157.1	-5.5	112.1	T86 Y258 G259 S260 E264 A265 L266	T86-R262 HydrophobicContact CG2-CB 3.72Å; T86-R262 HydrophobicContact CG2-CG 4.48Å; T86-R262 WeakPolarHBondContact OG1-CA 3.39Å; Y258-R262 HydrophobicContact CE1-CB 4.44Å; Y258-R262 WeakPolarHBondContact O-CB 3.49Å; Y258-R262 PolarHBondContact O-N 3.06Å; G259-R262 PolarHBondContact O-N 2.93Å; S260-R262 PolarHBondContact O-N 2.75Å; R262-E264 VanDerWaalsContact C-N 3.32Å; R262-A265 PolarHBondContact O-N 2.97Å; R262-L266 HydrophobicContact CG-CD1 4.29Å; R262-L266 VanDerWaalsContact O-CG 3.28Å; R262-L266 WeakPolarHBondContact O-CG 3.42Å; R262-L266 PolarHBondContact O-N 3.16Å
263	E	74.7	Confident	75.7	Confident	79 Å²	79	43.6 Å²	43.6	37%	0.369	22%	0.221	S	C	.	.	H	α-helix	trans	-59.3	-47.5	175.9	177.5	166.1	-144.5	0	0	110.8	R231 G259 S260 A265 L266 H267	R231-E263 IonicContact CZ-OE1 3.39Å; R231-E263 IonicContact CZ-OE2 2.86Å; R231-E263 IonicContact NE-OE1 2.96Å; R231-E263 PolarHBondContact NE-OE1 2.87Å; R231-E263 IonicContact NE-OE2 2.59Å; R231-E263 PolarHBondContact NE-OE2 3.21Å; R231-E263 IonicContact NH2-OE1 3.97Å; R231-E263 IonicContact NH2-OE2 3.61Å; R231-E263 PolarHBondContact NH2-OE2 3.24Å; G259-E263 PolarHBondContact O-N 3.48Å; S260-E263 PolarHBondContact O-N 2.67Å; E263-A265 PolarHBondContact O-N 3.28Å; E263-L266 PolarHBondContact O-N 2.73Å; E263-H267 WeakPolarHBondContact O-CB 3.31Å; E263-H267 PolarHBondContact O-N 3.42Å
264	E	78.4	Confident	76.9	Confident	27 Å²	27	49 Å²	49	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-40.9	177.3	-178.8	60.9	-162.7	0	0	112.1	I89 S260 R262 L266 H267 L268 E296	I89-E264 HydrophobicContact CD1-CB 4.01Å; I89-E264 HydrophobicContact CD1-CG 3.76Å; S260-E264 PolarHBondContact O-N 3.44Å; R262-E264 VanDerWaalsContact C-N 3.32Å; E264-L266 VanDerWaalsContact C-N 3.32Å; E264-L266 PolarHBondContact O-N 3.06Å; E264-H267 PolarHBondContact O-N 2.81Å; E264-L268 WeakPolarHBondContact O-CB 3.33Å; E264-L268 PolarHBondContact O-N 3.25Å; E264-E296 HydrophobicContact CG-CB 3.67Å; E264-E296 HydrophobicContact CG-CG 3.7Å
265	A	82.4	Confident	78.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-43.3	173.8	0	0	0	0	0	112.3	I85 T86 I89 A261 R262 E263 I269	I85-A265 HydrophobicContact CB-CB 3.83Å; I85-A265 HydrophobicContact CG2-CB 3.56Å; T86-A265 WeakPolarHBondContact OG1-CB 3.45Å; I89-A265 HydrophobicContact CD1-CB 4.27Å; A261-A265 WeakPolarHBondContact O-CB 3.46Å; A261-A265 PolarHBondContact O-N 3.21Å; R262-A265 PolarHBondContact O-N 2.97Å; E263-A265 PolarHBondContact O-N 3.28Å; A265-I269 VanDerWaalsContact O-CG1 3.32Å; A265-I269 WeakPolarHBondContact O-CG1 2.98Å; A265-I269 PolarHBondContact O-N 3.21Å
266	L	81.3	Confident	80.4	Confident	90 Å²	90	54.9 Å²	54.9	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-69.3	-37.7	177.7	-69.4	174.9	0	0	0	112.1	R262 E263 E264 I269 K270	R262-L266 HydrophobicContact CG-CD1 4.29Å; R262-L266 VanDerWaalsContact O-CG 3.28Å; R262-L266 WeakPolarHBondContact O-CG 3.42Å; R262-L266 PolarHBondContact O-N 3.16Å; E263-L266 PolarHBondContact O-N 2.73Å; E264-L266 VanDerWaalsContact C-N 3.32Å; E264-L266 PolarHBondContact O-N 3.06Å; L266-I269 PolarHBondContact O-N 3.2Å; L266-K270 WeakPolarHBondContact O-CB 3.38Å; L266-K270 PolarHBondContact O-N 2.87Å
267	H	80.4	Confident	82.1	Confident	49 Å²	49	57 Å²	57	23%	0.227	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-48.9	174.7	-172	-96.9	0	0	0	110.7	E263 E264 I269 K270 E271	E263-H267 WeakPolarHBondContact O-CB 3.31Å; E263-H267 PolarHBondContact O-N 3.42Å; E264-H267 PolarHBondContact O-N 2.81Å; H267-I269 VanDerWaalsContact C-N 3.33Å; H267-I269 PolarHBondContact O-N 3.38Å; H267-K270 WeakPolarHBondContact O-CB 3.47Å; H267-K270 PolarHBondContact O-N 2.97Å; H267-K270 VanDerWaalsContact O-N 3.11Å; H267-E271 IonicContact CE1-OE1 3.9Å; H267-E271 PolarHBondContact CE1-OE1 2.77Å; H267-E271 IonicContact CE1-OE2 3.67Å; H267-E271 IonicContact NE2-OE1 2.63Å; H267-E271 PolarHBondContact O-N 2.83Å
268	L	84.5	Confident	83.3	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-44.5	176.7	-172.1	67.8	0	0	0	112.1	I85 E264 E271 M272 L280 I291 F292 V297	I85-L268 HydrophobicContact CG2-CD2 4.12Å; E264-L268 WeakPolarHBondContact O-CB 3.33Å; E264-L268 PolarHBondContact O-N 3.25Å; L268-E271 PolarHBondContact O-N 3.21Å; L268-M272 HydrophobicContact CD1-CG 4.4Å; L268-M272 HydrophobicContact CD1-SD 3.39Å; L268-M272 WeakPolarHBondContact CD1-SD 3.36Å; L268-M272 HydrophobicContact CG-SD 3.78Å; L268-M272 WeakPolarHBondContact O-CB 3.2Å; L268-M272 WeakPolarHBondContact O-CG 3.47Å; L268-M272 PolarHBondContact O-N 2.85Å; L268-M272 VanDerWaalsContact O-N 3.13Å; L268-L280 HydrophobicContact CD2-CD1 4.33Å; L268-L280 HydrophobicContact CG-CD1 4.12Å; L268-I291 HydrophobicContact CD1-CG2 4.01Å; L268-F292 HydrophobicContact CD2-CD2 4.37Å; L268-V297 HydrophobicContact CD2-CB 4.45Å; L268-V297 HydrophobicContact CD2-CG2 3.45Å; L268-V297 VanDerWaalsContact CD2-CG2 3.45Å
269	I	88.1	Confident	84.4	Confident	14 Å²	14	56.6 Å²	56.6	7%	0.072	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-49.6	174.7	-72.8	166.8	0	0	0	110.4	I85 A265 L266 H267 E271 M272 D273 L280	I85-I269 HydrophobicContact CD1-CD1 4.1Å; I85-I269 HydrophobicContact CD1-CG1 3.93Å; A265-I269 VanDerWaalsContact O-CG1 3.32Å; A265-I269 WeakPolarHBondContact O-CG1 2.98Å; A265-I269 PolarHBondContact O-N 3.21Å; L266-I269 PolarHBondContact O-N 3.2Å; H267-I269 VanDerWaalsContact C-N 3.33Å; H267-I269 PolarHBondContact O-N 3.38Å; I269-E271 PolarHBondContact O-N 2.81Å; I269-M272 PolarHBondContact O-N 2.94Å; I269-M272 VanDerWaalsContact O-N 3.13Å; I269-D273 HydrophobicContact CG2-CB 4.01Å; I269-D273 WeakPolarHBondContact O-CB 3.46Å; I269-D273 PolarHBondContact O-N 3.32Å; I269-L280 HydrophobicContact CG1-CD1 4.34Å; I269-L280 HydrophobicContact CG1-CG 4.04Å
270	K	86.2	Confident	85.5	Confident	170 Å²	170	55.5 Å²	55.5	74%	0.739	30%	0.295	S	S	*	.	H	α-helix	trans	-57.5	-34.4	-178.7	-179.9	-173.7	173.3	-166.5	0	112.8	L266 H267	L266-K270 WeakPolarHBondContact O-CB 3.38Å; L266-K270 PolarHBondContact O-N 2.87Å; H267-K270 WeakPolarHBondContact O-CB 3.47Å; H267-K270 PolarHBondContact O-N 2.97Å; H267-K270 VanDerWaalsContact O-N 3.11Å
271	E	85.1	Confident	86.6	Confident	83 Å²	83	54 Å²	54	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-80.5	-29.5	179.3	-68.1	-164	145.4	0	0	113.7	H267 L268 I269 I291	H267-E271 IonicContact CE1-OE1 3.9Å; H267-E271 PolarHBondContact CE1-OE1 2.77Å; H267-E271 IonicContact CE1-OE2 3.67Å; H267-E271 IonicContact NE2-OE1 2.63Å; H267-E271 PolarHBondContact O-N 2.83Å; L268-E271 PolarHBondContact O-N 3.21Å; I269-E271 PolarHBondContact O-N 2.81Å; E271-I291 HydrophobicContact CB-CG2 4.46Å; E271-I291 WeakPolarHBondContact OE2-CG2 3.41Å
272	M	88.2	Confident	87.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-109.2	-24.5	-168.4	-66.1	177.9	67.9	0	0	114.8	L268 I269 Q274 L280 V285 N288 I291 F292	L268-M272 HydrophobicContact CD1-CG 4.4Å; L268-M272 HydrophobicContact CD1-SD 3.39Å; L268-M272 WeakPolarHBondContact CD1-SD 3.36Å; L268-M272 HydrophobicContact CG-SD 3.78Å; L268-M272 WeakPolarHBondContact O-CB 3.2Å; L268-M272 WeakPolarHBondContact O-CG 3.47Å; L268-M272 PolarHBondContact O-N 2.85Å; L268-M272 VanDerWaalsContact O-N 3.13Å; I269-M272 PolarHBondContact O-N 2.94Å; I269-M272 VanDerWaalsContact O-N 3.13Å; M272-Q274 PolarHBondContact O-N 3.09Å; M272-L280 HydrophobicContact CB-CD1 4.05Å; M272-L280 HydrophobicContact CB-CD2 3.51Å; M272-L280 HydrophobicContact CB-CG 4.43Å; M272-L280 HydrophobicContact CE-CD1 4.32Å; M272-L280 HydrophobicContact SD-CD1 3.97Å; M272-V285 HydrophobicContact CE-CB 4.26Å; M272-V285 HydrophobicContact CE-CG2 4.1Å; M272-N288 HydrophobicContact CB-CB 4.47Å; M272-N288 HydrophobicContact CE-CB 3.68Å; M272-N288 HydrophobicContact CG-CB 3.84Å; M272-N288 PolarHBondContact O-ND2 2.94Å; M272-N288 HydrophobicContact SD-CB 4.36Å; M272-I291 HydrophobicContact CG-CB 4.44Å; M272-I291 HydrophobicContact CG-CG2 3.95Å; M272-I291 HydrophobicContact SD-CB 4.45Å; M272-I291 HydrophobicContact SD-CG2 4.01Å; M272-F292 HydrophobicContact CE-CB 3.8Å; M272-F292 HydrophobicContact CE-CD2 3.89Å; M272-F292 HydrophobicContact CE-CG 4.3Å; M272-F292 HydrophobicContact SD-CB 4.23Å; M272-F292 HydrophobicContact SD-CD2 4.25Å
273	D	92.1	Very high	87.9	Confident	35 Å²	35	55 Å²	55	19%	0.187	30%	0.302	C	S	.	.			trans	-70.3	103.9	-179.7	178.2	6.6	0	0	0	110.3	I269 D275 G276 D277 G278 L280	I269-D273 HydrophobicContact CG2-CB 4.01Å; I269-D273 WeakPolarHBondContact O-CB 3.46Å; I269-D273 PolarHBondContact O-N 3.32Å; D273-D275 PolarHBondContact OD1-N 3.48Å; D273-G276 VanDerWaalsContact OD1-CA 3.29Å; D273-G276 WeakPolarHBondContact OD1-CA 3.47Å; D273-G276 PolarHBondContact OD1-N 3.43Å; D273-G276 VanDerWaalsContact OD2-CA 3.29Å; D273-G276 WeakPolarHBondContact OD2-CA 3.42Å; D273-D277 PolarHBondContact OD1-N 2.9Å; D273-D277 PolarHBondContact OD2-N 3.44Å; D273-G278 WeakPolarHBondContact OD2-CA 3.31Å; D273-G278 PolarHBondContact OD2-N 3.18Å; D273-L280 HydrophobicContact CB-CD2 4.07Å
274	Q	91.8	Very high	88.7	Confident	118 Å²	118	51.6 Å²	51.6	55%	0.551	29%	0.286	S	S	*	.	S	Bend	trans	-90.9	-28.9	-175.7	-69.1	-177.3	21.4	0	0	112.5	M272 E284 Q287	M272-Q274 PolarHBondContact O-N 3.09Å; Q274-E284 HydrophobicContact CB-CG 4.39Å; Q274-E284 HydrophobicContact CG-CG 4.4Å; Q274-E284 PolarHBondContact N-OE1 2.97Å; Q274-Q287 VanDerWaalsContact OE1-OE1 3.12Å
275	D	92.1	Very high	89.2	Confident	112 Å²	112	50.3 Å²	50.3	60%	0.599	28%	0.28	S	S	*	.	S	Bend	trans	-95.2	-9.2	-177.6	74.7	15	0	0	0	113.7	D273 D277 E284	D273-D275 PolarHBondContact OD1-N 3.48Å; D275-D277 WeakPolarHBondContact OD1-CB 3.13Å; D275-D277 PolarHBondContact OD1-N 2.91Å; D275-E284 PolarHBondContact N-OE1 2.81Å
276	G	92	Very high	89.4	Confident	61 Å²	61	53.1 Å²	53.1	63%	0.629	30%	0.295	S	S	*	.			trans	76.3	24.5	172.3	0	0	0	0	0	113	D273 G278	D273-G276 VanDerWaalsContact OD1-CA 3.29Å; D273-G276 WeakPolarHBondContact OD1-CA 3.47Å; D273-G276 PolarHBondContact OD1-N 3.43Å; D273-G276 VanDerWaalsContact OD2-CA 3.29Å; D273-G276 WeakPolarHBondContact OD2-CA 3.42Å; G276-G278 VanDerWaalsContact C-N 3.28Å
277	D	92.1	Very high	89.7	Confident	73 Å²	73	54.2 Å²	54.2	39%	0.39	30%	0.298	S	S	.	.	S	Bend	trans	-82.3	-6.1	179.7	86.9	-5.3	0	0	0	113.7	D273 D275 Q279	D273-D277 PolarHBondContact OD1-N 2.9Å; D273-D277 PolarHBondContact OD2-N 3.44Å; D275-D277 WeakPolarHBondContact OD1-CB 3.13Å; D275-D277 PolarHBondContact OD1-N 2.91Å; D277-Q279 WeakPolarHBondContact OD1-CA 3.46Å; D277-Q279 WeakPolarHBondContact OD1-CB 3.49Å; D277-Q279 PolarHBondContact OD1-N 2.83Å; D277-Q279 VanDerWaalsContact OD1-O 3.12Å
278	G	90.1	Very high	90	Very high	39 Å²	39	53.5 Å²	53.5	40%	0.402	30%	0.296	S	S	.	.	S	Bend	trans	81.1	13.1	177.8	0	0	0	0	0	114.3	D273 G276	D273-G278 WeakPolarHBondContact OD2-CA 3.31Å; D273-G278 PolarHBondContact OD2-N 3.18Å; G276-G278 VanDerWaalsContact C-N 3.28Å
279	Q	94.3	Very high	89.9	Confident	52 Å²	52	55.6 Å²	55.6	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	162	178.9	-57.1	175.7	105.3	0	0	109.7	L79 L80 D277	L79-Q279 HydrophobicContact CB-CB 4.2Å; L80-Q279 WeakPolarHBondContact O-CA 3.36Å; D277-Q279 WeakPolarHBondContact OD1-CA 3.46Å; D277-Q279 WeakPolarHBondContact OD1-CB 3.49Å; D277-Q279 PolarHBondContact OD1-N 2.83Å; D277-Q279 VanDerWaalsContact OD1-O 3.12Å
280	L	93.7	Very high	89.4	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.1	176.3	-59.6	-178.8	0	0	0	111.3	L80 I85 L268 I269 M272 D273 V285	L80-L280 HydrophobicContact CB-CB 4.2Å; L80-L280 PolarHBondContact N-O 2.87Å; L80-L280 PolarHBondContact O-N 3.08Å; I85-L280 HydrophobicContact CD1-CD1 4.02Å; I85-L280 HydrophobicContact CD1-CG 4.39Å; L268-L280 HydrophobicContact CD2-CD1 4.33Å; L268-L280 HydrophobicContact CG-CD1 4.12Å; I269-L280 HydrophobicContact CG1-CD1 4.34Å; I269-L280 HydrophobicContact CG1-CG 4.04Å; M272-L280 HydrophobicContact CB-CD1 4.05Å; M272-L280 HydrophobicContact CB-CD2 3.51Å; M272-L280 HydrophobicContact CB-CG 4.43Å; M272-L280 HydrophobicContact CE-CD1 4.32Å; M272-L280 HydrophobicContact SD-CD1 3.97Å; D273-L280 HydrophobicContact CB-CD2 4.07Å; L280-V285 HydrophobicContact CB-CG2 4.21Å
281	S	94.3	Very high	89.1	Confident	23 Å²	23	56.8 Å²	56.8	16%	0.161	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	154.8	169.3	73.6	0	0	0	0	111.4	T283 E284 V285	S281-T283 PolarHBondContact O-N 2.87Å; S281-T283 PolarHBondContact OG-N 2.93Å; S281-E284 VanDerWaalsContact CB-OE2 3.25Å; S281-E284 WeakPolarHBondContact CB-OE2 3.44Å; S281-E284 PolarHBondContact N-OE2 3.21Å; S281-E284 PolarHBondContact O-N 3.25Å; S281-E284 PolarHBondContact OG-N 3.43Å; S281-E284 PolarHBondContact OG-OE2 3.42Å; S281-V285 WeakPolarHBondContact O-CG2 3.12Å; S281-V285 PolarHBondContact O-N 2.92Å
282	V	91.4	Very high	89	Confident	43 Å²	43	52.9 Å²	52.9	26%	0.261	30%	0.296	S	S	.	.	H	α-helix	trans	-53.1	-30.8	171.4	177.4	0	0	0	0	112.1	M66 V69 L286	M66-V282 HydrophobicContact CE-CG1 3.68Å; M66-V282 HydrophobicContact CE-CG2 4.47Å; M66-V282 HydrophobicContact SD-CG1 3.96Å; V69-V282 HydrophobicContact CG1-CG2 4.23Å; V282-L286 HydrophobicContact CG1-CD1 3.93Å; V282-L286 HydrophobicContact CG1-CG 4.38Å; V282-L286 WeakPolarHBondContact O-CB 3.47Å; V282-L286 VanDerWaalsContact O-CG 3.24Å; V282-L286 WeakPolarHBondContact O-CG 3.27Å; V282-L286 PolarHBondContact O-N 3.38Å
283	T	92.2	Very high	88.5	Confident	86 Å²	86	53.4 Å²	53.4	53%	0.528	30%	0.299	S	S	.	.	H	α-helix	trans	-69.1	-43.5	179.3	-55.7	0	0	0	0	111.1	S281 L286 Q287	S281-T283 PolarHBondContact O-N 2.87Å; S281-T283 PolarHBondContact OG-N 2.93Å; T283-L286 PolarHBondContact O-N 3.26Å; T283-Q287 VanDerWaalsContact O-CG 3.3Å; T283-Q287 WeakPolarHBondContact O-CG 3.44Å; T283-Q287 PolarHBondContact O-N 3.28Å
284	E	93	Very high	87.4	Confident	8 Å²	8	53 Å²	53	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-66.8	-41.7	177.2	-73.3	154.4	144.6	0	0	111.4	Q274 D275 S281 L286 Q287 N288	Q274-E284 HydrophobicContact CB-CG 4.39Å; Q274-E284 HydrophobicContact CG-CG 4.4Å; Q274-E284 PolarHBondContact N-OE1 2.97Å; D275-E284 PolarHBondContact N-OE1 2.81Å; S281-E284 VanDerWaalsContact CB-OE2 3.25Å; S281-E284 WeakPolarHBondContact CB-OE2 3.44Å; S281-E284 PolarHBondContact N-OE2 3.21Å; S281-E284 PolarHBondContact O-N 3.25Å; S281-E284 PolarHBondContact OG-N 3.43Å; S281-E284 PolarHBondContact OG-OE2 3.42Å; E284-L286 VanDerWaalsContact C-N 3.3Å; E284-L286 PolarHBondContact O-N 3.09Å; E284-Q287 PolarHBondContact O-N 2.95Å; E284-Q287 VanDerWaalsContact O-N 3.09Å; E284-N288 WeakPolarHBondContact O-CB 3.1Å; E284-N288 PolarHBondContact O-N 3.32Å; E284-N288 PolarHBondContact O-ND2 3.37Å
285	V	87.8	Confident	86.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-43.5	173	178.1	0	0	0	0	111.4	M65 V69 L80 M272 L280 S281 Q287 N288 Q289 F292	M65-V285 HydrophobicContact CE-CG1 3.89Å; M65-V285 HydrophobicContact CG-CG1 4.36Å; M65-V285 HydrophobicContact SD-CG1 3.93Å; V69-V285 HydrophobicContact CG2-CG1 3.86Å; L80-V285 HydrophobicContact CD1-CG2 4.26Å; M272-V285 HydrophobicContact CE-CB 4.26Å; M272-V285 HydrophobicContact CE-CG2 4.1Å; L280-V285 HydrophobicContact CB-CG2 4.21Å; S281-V285 WeakPolarHBondContact O-CG2 3.12Å; S281-V285 PolarHBondContact O-N 2.92Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 PolarHBondContact O-N 3.27Å; V285-N288 CarbonylContact O-C 3.47Å; V285-N288 PolarHBondContact O-N 3Å; V285-Q289 PolarHBondContact O-N 3Å; V285-F292 HydrophobicContact CG1-CB 4.32Å; V285-F292 HydrophobicContact CG1-CD1 4.11Å; V285-F292 HydrophobicContact CG1-CD2 3.77Å; V285-F292 HydrophobicContact CG1-CE1 4.34Å; V285-F292 HydrophobicContact CG1-CE2 4.01Å; V285-F292 HydrophobicContact CG1-CG 3.79Å; V285-F292 HydrophobicContact CG1-CZ 4.28Å; V285-F292 HydrophobicContact CG2-CD2 4.16Å; V285-F292 HydrophobicContact CG2-CE2 4.16Å
286	L	87.1	Confident	85.5	Confident	58 Å²	58	43.5 Å²	43.5	30%	0.304	25%	0.249	S	C	.	.	H	α-helix	trans	-70.9	-23.7	177.4	-74.4	170	0	0	0	113.8	R62 M65 M66 V282 T283 E284 Q289	R62-L286 HydrophobicContact CG-CD2 3.93Å; M65-L286 HydrophobicContact CE-CD2 3.69Å; M65-L286 HydrophobicContact CE-CG 4.41Å; M66-L286 HydrophobicContact SD-CD2 4.24Å; M66-L286 HydrophobicContact SD-CG 4.46Å; V282-L286 HydrophobicContact CG1-CD1 3.93Å; V282-L286 HydrophobicContact CG1-CG 4.38Å; V282-L286 WeakPolarHBondContact O-CB 3.47Å; V282-L286 VanDerWaalsContact O-CG 3.24Å; V282-L286 WeakPolarHBondContact O-CG 3.27Å; V282-L286 PolarHBondContact O-N 3.38Å; T283-L286 PolarHBondContact O-N 3.26Å; E284-L286 VanDerWaalsContact C-N 3.3Å; E284-L286 PolarHBondContact O-N 3.09Å; L286-Q289 WeakPolarHBondContact O-CG 3.35Å; L286-Q289 PolarHBondContact O-NE2 3.42Å
287	Q	87.8	Confident	84.4	Confident	113 Å²	113	40.6 Å²	40.6	53%	0.528	22%	0.219	S	C	.	.	H	α-helix	trans	-82.7	-32.4	176.2	-73.3	178.9	20.3	0	0	111.8	Q274 T283 E284 V285	Q274-Q287 VanDerWaalsContact OE1-OE1 3.12Å; T283-Q287 VanDerWaalsContact O-CG 3.3Å; T283-Q287 WeakPolarHBondContact O-CG 3.44Å; T283-Q287 PolarHBondContact O-N 3.28Å; E284-Q287 PolarHBondContact O-N 2.95Å; E284-Q287 VanDerWaalsContact O-N 3.09Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 PolarHBondContact O-N 3.27Å
288	N	86.1	Confident	82.9	Confident	35 Å²	35	37.1 Å²	37.1	19%	0.187	20%	0.201	C	C	.	.	S	Bend	trans	-109.4	43.1	-178.3	-62.8	-53.9	0	0	0	111.7	M272 E284 V285 E290 I291 F292	M272-N288 HydrophobicContact CB-CB 4.47Å; M272-N288 HydrophobicContact CE-CB 3.68Å; M272-N288 HydrophobicContact CG-CB 3.84Å; M272-N288 PolarHBondContact O-ND2 2.94Å; M272-N288 HydrophobicContact SD-CB 4.36Å; E284-N288 WeakPolarHBondContact O-CB 3.1Å; E284-N288 PolarHBondContact O-N 3.32Å; E284-N288 PolarHBondContact O-ND2 3.37Å; V285-N288 CarbonylContact O-C 3.47Å; V285-N288 PolarHBondContact O-N 3Å; N288-E290 VanDerWaalsContact C-N 3.28Å; N288-E290 PolarHBondContact O-N 3.48Å; N288-I291 HydrophobicContact CB-CB 4.47Å; N288-I291 HydrophobicContact CB-CD1 4.32Å; N288-I291 PolarHBondContact O-N 2.92Å; N288-F292 PolarHBondContact O-N 3.47Å; N288-F292 VanDerWaalsContact O-N 3.08Å
289	Q	81.6	Confident	81.6	Confident	45 Å²	45	35.4 Å²	35.4	21%	0.21	18%	0.183	C	C	.	.	H	α-helix	trans	-55.5	-40.8	-175.1	-77.2	168.4	32.4	0	0	113.1	M65 V285 L286 F292 I293	M65-Q289 HydrophobicContact CE-CG 3.82Å; M65-Q289 HydrophobicContact SD-CB 4.29Å; M65-Q289 HydrophobicContact SD-CG 3.89Å; V285-Q289 PolarHBondContact O-N 3Å; L286-Q289 WeakPolarHBondContact O-CG 3.35Å; L286-Q289 PolarHBondContact O-NE2 3.42Å; Q289-F292 PolarHBondContact O-N 2.72Å; Q289-I293 WeakPolarHBondContact O-CB 3.46Å; Q289-I293 WeakPolarHBondContact O-CD1 3.12Å; Q289-I293 WeakPolarHBondContact O-CG1 3.3Å; Q289-I293 PolarHBondContact O-N 3.09Å
290	E	78.8	Confident	79.9	Confident	149 Å²	149	33.6 Å²	33.6	70%	0.696	17%	0.174	S	C	*	.	H	α-helix	trans	-66.5	-44.4	-177.8	-172.2	171.4	-167.7	0	0	111.7	N288 I293 N294	N288-E290 VanDerWaalsContact C-N 3.28Å; N288-E290 PolarHBondContact O-N 3.48Å; E290-I293 PolarHBondContact O-N 3.42Å; E290-N294 WeakPolarHBondContact O-CB 3.25Å; E290-N294 VanDerWaalsContact O-CG 3.3Å; E290-N294 PolarHBondContact O-N 3.08Å; E290-N294 PolarHBondContact O-ND2 2.83Å
291	I	80.3	Confident	78	Confident	60 Å²	60	33.6 Å²	33.6	31%	0.308	17%	0.174	S	C	.	.	H	α-helix	trans	-62	-47	176.6	-61.9	173.2	0	0	0	110	L268 E271 M272 N288 I293 N294 S295	L268-I291 HydrophobicContact CD1-CG2 4.01Å; E271-I291 HydrophobicContact CB-CG2 4.46Å; E271-I291 WeakPolarHBondContact OE2-CG2 3.41Å; M272-I291 HydrophobicContact CG-CB 4.44Å; M272-I291 HydrophobicContact CG-CG2 3.95Å; M272-I291 HydrophobicContact SD-CB 4.45Å; M272-I291 HydrophobicContact SD-CG2 4.01Å; N288-I291 HydrophobicContact CB-CB 4.47Å; N288-I291 HydrophobicContact CB-CD1 4.32Å; N288-I291 PolarHBondContact O-N 2.92Å; I291-I293 PolarHBondContact O-N 3.13Å; I291-N294 PolarHBondContact O-N 2.84Å; I291-S295 WeakPolarHBondContact O-CB 3.42Å; I291-S295 PolarHBondContact O-N 2.76Å; I291-S295 VanDerWaalsContact O-N 3.15Å
292	F	82.3	Confident	76.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-42.6	-179.8	-168.9	-89.5	0	0	0	112.7	M65 V68 V69 I72 L80 L268 M272 V285 N288 Q289 S295 V297 T298	M65-F292 HydrophobicContact CG-CD1 3.48Å; M65-F292 VanDerWaalsContact CG-CD1 3.48Å; M65-F292 HydrophobicContact CG-CE1 3.66Å; M65-F292 HydrophobicContact CG-CG 4.49Å; M65-F292 HydrophobicContact SD-CB 4.49Å; M65-F292 HydrophobicContact SD-CD1 3.94Å; M65-F292 HydrophobicContact SD-CG 4.47Å; V68-F292 HydrophobicContact CG1-CE1 4.23Å; V68-F292 HydrophobicContact CG1-CZ 4.31Å; V69-F292 HydrophobicContact CG2-CE1 4.22Å; V69-F292 HydrophobicContact CG2-CE2 4.46Å; V69-F292 HydrophobicContact CG2-CZ 3.81Å; I72-F292 HydrophobicContact CD1-CE2 4.42Å; I72-F292 HydrophobicContact CD1-CZ 3.88Å; L80-F292 HydrophobicContact CD1-CE2 4.22Å; L268-F292 HydrophobicContact CD2-CD2 4.37Å; M272-F292 HydrophobicContact CE-CB 3.8Å; M272-F292 HydrophobicContact CE-CD2 3.89Å; M272-F292 HydrophobicContact CE-CG 4.3Å; M272-F292 HydrophobicContact SD-CB 4.23Å; M272-F292 HydrophobicContact SD-CD2 4.25Å; V285-F292 HydrophobicContact CG1-CB 4.32Å; V285-F292 HydrophobicContact CG1-CD1 4.11Å; V285-F292 HydrophobicContact CG1-CD2 3.77Å; V285-F292 HydrophobicContact CG1-CE1 4.34Å; V285-F292 HydrophobicContact CG1-CE2 4.01Å; V285-F292 HydrophobicContact CG1-CG 3.79Å; V285-F292 HydrophobicContact CG1-CZ 4.28Å; V285-F292 HydrophobicContact CG2-CD2 4.16Å; V285-F292 HydrophobicContact CG2-CE2 4.16Å; N288-F292 PolarHBondContact O-N 3.47Å; N288-F292 VanDerWaalsContact O-N 3.08Å; Q289-F292 PolarHBondContact O-N 2.72Å; F292-S295 PolarHBondContact O-N 2.7Å; F292-S295 PolarHBondContact O-OG 2.64Å; F292-V297 HydrophobicContact CE1-CG1 4.1Å; F292-V297 HydrophobicContact CE2-CG1 4.02Å; F292-V297 HydrophobicContact CZ-CG1 3.62Å; F292-T298 HydrophobicContact CD1-CG2 4.31Å; F292-T298 HydrophobicContact CE1-CG2 4.15Å
293	I	77.4	Confident	74.9	Confident	11 Å²	11	35.2 Å²	35.2	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-70.4	-32.2	179.6	-69.3	169.8	0	0	0	111.9	Q61 M65 Q289 E290 I291 S295 T298 Y300 G301 L304	Q61-I293 HydrophobicContact CB-CD1 4.28Å; M65-I293 HydrophobicContact SD-CD1 4.49Å; M65-I293 HydrophobicContact SD-CG1 4.31Å; Q289-I293 WeakPolarHBondContact O-CB 3.46Å; Q289-I293 WeakPolarHBondContact O-CD1 3.12Å; Q289-I293 WeakPolarHBondContact O-CG1 3.3Å; Q289-I293 PolarHBondContact O-N 3.09Å; E290-I293 PolarHBondContact O-N 3.42Å; I291-I293 PolarHBondContact O-N 3.13Å; I293-S295 VanDerWaalsContact C-N 3.29Å; I293-T298 PolarHBondContact O-OG1 3.14Å; I293-Y300 CarbonylContact O-C 3.6Å; I293-G301 PolarHBondContact O-N 3.32Å; I293-G301 VanDerWaalsContact O-N 3.13Å; I293-L304 HydrophobicContact CB-CD1 4.18Å; I293-L304 HydrophobicContact CD1-CD1 4.29Å; I293-L304 HydrophobicContact CG1-CD1 3.79Å; I293-L304 HydrophobicContact CG2-CD1 3.58Å
294	N	69.3	Low	73.1	Confident	26 Å²	26	31.2 Å²	31.2	14%	0.139	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	12.5	179.8	-61.3	-19.4	0	0	0	112.6	P37 E290 I291 Y300	P37-N294 HydrophobicContact CB-CB 4.14Å; E290-N294 WeakPolarHBondContact O-CB 3.25Å; E290-N294 VanDerWaalsContact O-CG 3.3Å; E290-N294 PolarHBondContact O-N 3.08Å; E290-N294 PolarHBondContact O-ND2 2.83Å; I291-N294 PolarHBondContact O-N 2.84Å; N294-Y300 WeakPolarHBondContact O-CD1 3.44Å
295	S	74.1	Confident	71.2	Confident	6 Å²	6	33.3 Å²	33.3	4%	0.042	16%	0.158	C	C	.	.	S	Bend	trans	-95.9	164.9	175.1	72	0	0	0	0	111.9	I291 F292 I293 V297 T298 Y300	I291-S295 WeakPolarHBondContact O-CB 3.42Å; I291-S295 PolarHBondContact O-N 2.76Å; I291-S295 VanDerWaalsContact O-N 3.15Å; F292-S295 PolarHBondContact O-N 2.7Å; F292-S295 PolarHBondContact O-OG 2.64Å; I293-S295 VanDerWaalsContact C-N 3.29Å; S295-V297 PolarHBondContact O-N 3.23Å; S295-V297 VanDerWaalsContact O-N 3.09Å; S295-V297 WeakPolarHBondContact OG-CB 3.27Å; S295-T298 PolarHBondContact O-N 2.78Å; S295-T298 PolarHBondContact O-OG1 3.3Å; S295-Y300 PolarHBondContact O-N 3.48Å
296	E	70.4	Confident	69.3	Low	25 Å²	25	36.3 Å²	36.3	12%	0.117	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-57.3	-23.1	175.6	-69	-82.3	-142.8	0	0	113.2	I89 Y93 E264 T298 D299 Y300	I89-E296 HydrophobicContact CG1-CB 4.42Å; I89-E296 HydrophobicContact CG2-CB 4.11Å; Y93-E296 WeakPolarHBondContact CE1-OE1 3.36Å; Y93-E296 WeakPolarHBondContact CE1-OE2 3.4Å; Y93-E296 VanDerWaalsContact OH-CD 3.23Å; Y93-E296 PolarHBondContact OH-OE1 2.93Å; E264-E296 HydrophobicContact CG-CB 3.67Å; E264-E296 HydrophobicContact CG-CG 3.7Å; E296-T298 PolarHBondContact O-N 2.87Å; E296-D299 PolarHBondContact O-N 3.1Å; E296-Y300 VanDerWaalsContact CD-OH 3.27Å; E296-Y300 HydrophobicContact CG-CE2 4.05Å; E296-Y300 PolarHBondContact OE1-OH 2.95Å; E296-Y300 WeakPolarHBondContact OE2-CE2 3.39Å
297	V	69.4	Low	67	Low	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-56.7	-25.1	175.2	175.3	0	0	0	0	112.5	V68 I72 I85 W88 I89 L268 F292 S295	V68-V297 HydrophobicContact CG1-CG1 3.94Å; I72-V297 HydrophobicContact CD1-CG1 3.41Å; I72-V297 VanDerWaalsContact CD1-CG1 3.41Å; I85-V297 HydrophobicContact CG2-CG2 3.78Å; W88-V297 PolarHBondContact NE1-O 2.83Å; I89-V297 HydrophobicContact CD1-CG2 3.85Å; I89-V297 HydrophobicContact CG1-CG2 3.75Å; L268-V297 HydrophobicContact CD2-CB 4.45Å; L268-V297 HydrophobicContact CD2-CG2 3.45Å; L268-V297 VanDerWaalsContact CD2-CG2 3.45Å; F292-V297 HydrophobicContact CE1-CG1 4.1Å; F292-V297 HydrophobicContact CE2-CG1 4.02Å; F292-V297 HydrophobicContact CZ-CG1 3.62Å; S295-V297 PolarHBondContact O-N 3.23Å; S295-V297 VanDerWaalsContact O-N 3.09Å; S295-V297 WeakPolarHBondContact OG-CB 3.27Å
298	T	60.8	Low	64.8	Low	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-118.6	14.2	176.5	69.3	0	0	0	0	113.4	V68 F292 I293 S295 E296 Y300 G301 R302 H303 L304	V68-T298 HydrophobicContact CG1-CG2 4.35Å; F292-T298 HydrophobicContact CD1-CG2 4.31Å; F292-T298 HydrophobicContact CE1-CG2 4.15Å; I293-T298 PolarHBondContact O-OG1 3.14Å; S295-T298 PolarHBondContact O-N 2.78Å; S295-T298 PolarHBondContact O-OG1 3.3Å; E296-T298 PolarHBondContact O-N 2.87Å; T298-Y300 VanDerWaalsContact C-N 3.28Å; T298-G301 PolarHBondContact O-N 2.73Å; T298-G301 PolarHBondContact OG1-N 3.02Å; T298-R302 PolarHBondContact O-N 3.14Å; T298-H303 WeakPolarHBondContact O-CB 3.43Å; T298-H303 PolarHBondContact O-N 3.05Å; T298-L304 HydrophobicContact CG2-CD2 4.41Å; T298-L304 HydrophobicContact CG2-CG 4.49Å
299	D	62.6	Low	62.3	Low	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	54.4	-166.6	-178.4	18.6	0	0	0	110.1	L44 V92 E296 G301 R302 H303	L44-D299 WeakPolarHBondContact CD2-OD1 3.35Å; V92-D299 HydrophobicContact CG1-CB 3.87Å; E296-D299 PolarHBondContact O-N 3.1Å; D299-G301 PolarHBondContact O-N 3.35Å; D299-R302 HydrophobicContact CB-CB 4.08Å; D299-R302 VanDerWaalsContact O-CB 3.29Å; D299-R302 WeakPolarHBondContact O-CB 3.34Å; D299-R302 PolarHBondContact O-N 3.02Å; D299-R302 WeakPolarHBondContact OD2-CB 3.44Å; D299-R302 WeakPolarHBondContact OD2-CD 3.34Å; D299-R302 IonicContact OD2-CZ 2.67Å; D299-R302 IonicContact OD2-NE 3.34Å; D299-R302 PolarHBondContact OD2-NE 2.79Å; D299-H303 VanDerWaalsContact CB-ND1 3.28Å; D299-H303 WeakPolarHBondContact CB-ND1 3.44Å
300	Y	58.5	Low	59.9	Low	14 Å²	14	52 Å²	52	6%	0.055	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	35.7	-178.1	-54.2	-92	0	0	0	113.9	D40 M41 L44 I53 I293 N294 S295 E296 T298	D40-Y300 HydrophobicContact CB-CE1 3.79Å; M41-Y300 HydrophobicContact CB-CD1 4.01Å; M41-Y300 HydrophobicContact CB-CG 4.16Å; L44-Y300 HydrophobicContact CD2-CD2 3.52Å; L44-Y300 HydrophobicContact CD2-CE2 3.56Å; I53-Y300 VanDerWaalsContact CD1-O 3.26Å; I53-Y300 WeakPolarHBondContact CD1-O 3.27Å; I293-Y300 CarbonylContact O-C 3.6Å; N294-Y300 WeakPolarHBondContact O-CD1 3.44Å; S295-Y300 PolarHBondContact O-N 3.48Å; E296-Y300 VanDerWaalsContact CD-OH 3.27Å; E296-Y300 HydrophobicContact CG-CE2 4.05Å; E296-Y300 PolarHBondContact OE1-OH 2.95Å; E296-Y300 WeakPolarHBondContact OE2-CE2 3.39Å; T298-Y300 VanDerWaalsContact C-N 3.28Å
301	G	53.9	Low	57.5	Low	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-7.5	179.4	0	0	0	0	0	115.8	I293 T298 D299 H303 L304	I293-G301 PolarHBondContact O-N 3.32Å; I293-G301 VanDerWaalsContact O-N 3.13Å; T298-G301 PolarHBondContact O-N 2.73Å; T298-G301 PolarHBondContact OG1-N 3.02Å; D299-G301 PolarHBondContact O-N 3.35Å; G301-H303 VanDerWaalsContact C-N 3.33Å; G301-H303 PolarHBondContact O-N 2.77Å; G301-L304 WeakPolarHBondContact O-CB 3.22Å; G301-L304 PolarHBondContact O-N 3.38Å
302	R	61.7	Low	56.4	Low	60 Å²	60	56.7 Å²	56.7	23%	0.226	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-58.7	-43.1	176.6	-167	-164.5	-58.5	-130.2	-3.8	111.6	L45 T298 D299 L304 Q305	L45-R302 HydrophobicContact CD2-CB 4.3Å; T298-R302 PolarHBondContact O-N 3.14Å; D299-R302 HydrophobicContact CB-CB 4.08Å; D299-R302 VanDerWaalsContact O-CB 3.29Å; D299-R302 WeakPolarHBondContact O-CB 3.34Å; D299-R302 PolarHBondContact O-N 3.02Å; D299-R302 WeakPolarHBondContact OD2-CB 3.44Å; D299-R302 WeakPolarHBondContact OD2-CD 3.34Å; D299-R302 IonicContact OD2-CZ 2.67Å; D299-R302 IonicContact OD2-NE 3.34Å; D299-R302 PolarHBondContact OD2-NE 2.79Å; R302-L304 PolarHBondContact O-N 2.77Å; R302-L304 VanDerWaalsContact O-N 3.13Å; R302-Q305 WeakPolarHBondContact O-CB 3.47Å; R302-Q305 PolarHBondContact O-N 3.12Å
303	H	57.8	Low	55	Low	39 Å²	39	59.6 Å²	59.6	18%	0.181	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-65	-19	177.8	-82	96.2	0	0	0	113.5	T298 D299 G301 Q305	T298-H303 WeakPolarHBondContact O-CB 3.43Å; T298-H303 PolarHBondContact O-N 3.05Å; D299-H303 VanDerWaalsContact CB-ND1 3.28Å; D299-H303 WeakPolarHBondContact CB-ND1 3.44Å; G301-H303 VanDerWaalsContact C-N 3.33Å; G301-H303 PolarHBondContact O-N 2.77Å; H303-Q305 PolarHBondContact O-N 3.22Å
304	L	54	Low	53.8	Low	2 Å²	2	62.3 Å²	62.3	1%	0.01	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-80.6	-2.7	173.6	-54.1	175.3	0	0	0	112.2	L56 K64 V68 I293 T298 G301 R302	L56-L304 HydrophobicContact CD1-CB 4.37Å; L56-L304 WeakPolarHBondContact CD1-O 3.47Å; K64-L304 HydrophobicContact CB-CB 4.45Å; K64-L304 HydrophobicContact CB-CD2 3.63Å; K64-L304 HydrophobicContact CD-CB 4.35Å; K64-L304 WeakPolarHBondContact CD-O 3.33Å; K64-L304 VanDerWaalsContact CE-O 3.25Å; K64-L304 WeakPolarHBondContact CE-O 3.49Å; K64-L304 PolarHBondContact NZ-O 2.91Å; V68-L304 HydrophobicContact CG2-CD2 4.29Å; I293-L304 HydrophobicContact CB-CD1 4.18Å; I293-L304 HydrophobicContact CD1-CD1 4.29Å; I293-L304 HydrophobicContact CG1-CD1 3.79Å; I293-L304 HydrophobicContact CG2-CD1 3.58Å; T298-L304 HydrophobicContact CG2-CD2 4.41Å; T298-L304 HydrophobicContact CG2-CG 4.49Å; G301-L304 WeakPolarHBondContact O-CB 3.22Å; G301-L304 PolarHBondContact O-N 3.38Å; R302-L304 PolarHBondContact O-N 2.77Å; R302-L304 VanDerWaalsContact O-N 3.13Å
305	Q	53.5	Low	52.9	Low	52 Å²	52	64.5 Å²	64.5	24%	0.243	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-32.4	177	-65.6	-178	-34	0	0	112.6	E52 I53 R302 H303 S307	E52-Q305 PolarHBondContact O-NE2 3.34Å; I53-Q305 HydrophobicContact CG1-CG 4.24Å; I53-Q305 VanDerWaalsContact CG1-NE2 3.34Å; R302-Q305 WeakPolarHBondContact O-CB 3.47Å; R302-Q305 PolarHBondContact O-N 3.12Å; H303-Q305 PolarHBondContact O-N 3.22Å; Q305-S307 PolarHBondContact O-N 3.16Å
306	L	48.8	Very low	51.5	Low	64 Å²	64	68.1 Å²	68.1	34%	0.335	35%	0.348	S	S	.	.			trans	-52.2	101.4	178.1	-67.7	174.1	0	0	0	110.9	H308	L306-H308 VanDerWaalsContact C-N 3.29Å; L306-H308 PolarHBondContact O-N 3.24Å; L306-H308 VanDerWaalsContact O-N 3.14Å
307	S	38.6	Very low	50.3	Low	107 Å²	107	71 Å²	71	75%	0.748	36%	0.363	S	S	*	.			trans	-81	80.5	167.3	58.4	0	0	0	0	107.6	Q305 D309	Q305-S307 PolarHBondContact O-N 3.16Å; S307-D309 PolarHBondContact O-N 3.03Å
308	H	41.3	Very low	48.9	Very low	133 Å²	133	76.1 Å²	76.1	62%	0.616	39%	0.389	S	S	*	.			trans	-77	84.2	168.8	-89.5	91.1	0	0	0	109.2	L306	L306-H308 VanDerWaalsContact C-N 3.29Å; L306-H308 PolarHBondContact O-N 3.24Å; L306-H308 VanDerWaalsContact O-N 3.14Å
309	D	34.3	Very low	48	Very low	162 Å²	162	81.9 Å²	81.9	87%	0.866	42%	0.419	S	S	*	.			trans	-89.3	77.5	149.8	-90.5	-13.8	0	0	0	107	S307	S307-D309 PolarHBondContact O-N 3.03Å
310	E	30.4	Very low	46.8	Very low	177 Å²	177	88.4 Å²	88.4	83%	0.827	45%	0.452	S	S	*	.			trans	-128.6	115.5	161.4	-69.6	-156.5	164.8	0	0	109.7
311	L	28.5	Very low	45.7	Very low	251 Å²	251	95.2 Å²	95.2	100%	1.314	49%	0.488	S	S	*	.			trans	-97	0	175.1	-94.4	166.1	0	0	0	110

Retrieved 311 of 311 residues in 167.1 ms (Link to these results)

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