A0A087YK42_POEFO Loading...

Hepatocyte growth factor

Potent mitogen for mature parenchymal hepatocyte cells, seems to be a hepatotrophic factor, and acts as a growth factor for a broad spectrum of tissues and cell types. Activating ligand for the receptor tyrosine kinase MET by binding to it and promoting its dimerization. Activates MAPK signaling following TMPRSS13 cleavage and activation.

AlphaFold DB , UniProt , Accession A0A087YK42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 726 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	41.3	Very low	38	Very low	210 Å²	210	134.6 Å²	134.6	100%	1.034	66%	0.663	S	S	*	*				0	-12.4	0	-92.9	167.7	64.1	0	0	115.6
2	W	34.9	Very low	37.4	Very low	228 Å²	228	130.8 Å²	130.8	86%	0.864	65%	0.652	S	S	*	*	H	α-helix	trans	-86.3	-27.6	179.4	-87.6	64.2	0	0	0	115	R5 L6	W2-R5 PolarHBondContact O-N 3.19Å; W2-L6 PolarHBondContact O-N 3.12Å
3	I	43.5	Very low	36.8	Very low	137 Å²	137	130.1 Å²	130.1	70%	0.703	66%	0.659	S	S	*	*	H	α-helix	trans	-71.7	-34	-179.2	-64.4	169.2	0	0	0	111.8	R5 L6 V7	I3-R5 PolarHBondContact O-N 3.22Å; I3-L6 PolarHBondContact O-N 3.48Å; I3-V7 WeakPolarHBondContact O-CG2 3.07Å; I3-V7 PolarHBondContact O-N 3.43Å; I3-V7 VanDerWaalsContact O-N 3.15Å
4	Y	36.2	Very low	36.4	Very low	186 Å²	186	127.9 Å²	127.9	73%	0.729	66%	0.661	S	S	*	*	H	α-helix	trans	-69.4	-30.1	177.5	-96.2	-88.4	0	0	0	113.4	V8	Y4-V8 WeakPolarHBondContact O-CB 3.29Å; Y4-V8 VanDerWaalsContact O-CG2 3.23Å; Y4-V8 WeakPolarHBondContact O-CG2 2.97Å; Y4-V8 PolarHBondContact O-N 3.2Å
5	R	35.6	Very low	35.9	Very low	211 Å²	211	126.3 Å²	126.3	80%	0.796	67%	0.665	S	S	*	*	H	α-helix	trans	-75.9	-28.8	176.3	-74.8	-167.2	172.8	-168.2	-1	113	W2 I3 G9	W2-R5 PolarHBondContact O-N 3.19Å; I3-R5 PolarHBondContact O-N 3.22Å; R5-G9 PolarHBondContact O-N 3.42Å
6	L	40.3	Very low	35.4	Very low	114 Å²	114	125.3 Å²	125.3	60%	0.597	67%	0.669	S	S	*	*	H	α-helix	trans	-74.1	-38.1	173.6	-103	154.8	0	0	0	112.4	W2 I3 G9 L10	W2-L6 PolarHBondContact O-N 3.12Å; I3-L6 PolarHBondContact O-N 3.48Å; L6-G9 PolarHBondContact O-N 3.09Å; L6-L10 WeakPolarHBondContact O-CB 3.25Å; L6-L10 PolarHBondContact O-N 3.5Å
7	V	43.8	Very low	35.5	Very low	93 Å²	93	128.8 Å²	128.8	56%	0.564	68%	0.681	S	S	*	*	H	α-helix	trans	-70.7	-38.3	175.9	176.1	0	0	0	0	111.4	I3 A11	I3-V7 WeakPolarHBondContact O-CG2 3.07Å; I3-V7 PolarHBondContact O-N 3.43Å; I3-V7 VanDerWaalsContact O-N 3.15Å; V7-A11 VanDerWaalsContact O-CB 3.26Å; V7-A11 WeakPolarHBondContact O-CB 3.14Å; V7-A11 PolarHBondContact O-N 3.47Å
8	V	43.6	Very low	35.8	Very low	84 Å²	84	124.7 Å²	124.7	51%	0.509	68%	0.675	S	S	.	*	H	α-helix	trans	-71.3	-36.1	173.4	175.6	0	0	0	0	111	Y4 A11 V12	Y4-V8 WeakPolarHBondContact O-CB 3.29Å; Y4-V8 VanDerWaalsContact O-CG2 3.23Å; Y4-V8 WeakPolarHBondContact O-CG2 2.97Å; Y4-V8 PolarHBondContact O-N 3.2Å; V8-A11 PolarHBondContact O-N 2.97Å; V8-V12 HydrophobicContact CG1-CG2 4.14Å; V8-V12 VanDerWaalsContact O-CB 3.3Å; V8-V12 WeakPolarHBondContact O-CB 3.38Å; V8-V12 WeakPolarHBondContact O-CG2 3.19Å; V8-V12 PolarHBondContact O-N 2.02Å
9	G	32.7	Very low	37	Very low	35 Å²	35	131.1 Å²	131.1	36%	0.361	69%	0.688	S	S	.	*	H	α-helix	trans	-63.7	-41.6	172.7	0	0	0	0	0	113.7	R5 L6 V12 V13	R5-G9 PolarHBondContact O-N 3.42Å; L6-G9 PolarHBondContact O-N 3.09Å; G9-V12 PolarHBondContact O-N 3.41Å; G9-V13 WeakPolarHBondContact O-CG2 3.25Å; G9-V13 PolarHBondContact O-N 2.78Å; G9-V13 VanDerWaalsContact O-N 3.08Å
10	L	33.1	Very low	39	Very low	124 Å²	124	130.2 Å²	130.2	65%	0.649	68%	0.675	S	S	*	*	H	α-helix	trans	-73.4	-30.5	175.9	-80.7	159.2	0	0	0	112.9	L6 S14	L6-L10 WeakPolarHBondContact O-CB 3.25Å; L6-L10 PolarHBondContact O-N 3.5Å; L10-S14 PolarHBondContact O-N 3.12Å
11	A	33	Very low	41.3	Very low	59 Å²	59	125.1 Å²	125.1	49%	0.488	65%	0.649	S	S	.	*	H	α-helix	trans	-72.4	-34.5	172.4	0	0	0	0	0	112.2	V7 V8 C15	V7-A11 VanDerWaalsContact O-CB 3.26Å; V7-A11 WeakPolarHBondContact O-CB 3.14Å; V7-A11 PolarHBondContact O-N 3.47Å; V8-A11 PolarHBondContact O-N 2.97Å; A11-C15 WeakPolarHBondContact O-CB 3.17Å; A11-C15 PolarHBondContact O-N 3.07Å
12	V	31.2	Very low	43.5	Very low	88 Å²	88	115.5 Å²	115.5	53%	0.533	60%	0.603	S	S	.	*	H	α-helix	trans	-76	-33.8	179.3	172.3	0	0	0	0	111.9	V8 G9 S14 C15	V8-V12 HydrophobicContact CG1-CG2 4.14Å; V8-V12 VanDerWaalsContact O-CB 3.3Å; V8-V12 WeakPolarHBondContact O-CB 3.38Å; V8-V12 WeakPolarHBondContact O-CG2 3.19Å; V8-V12 PolarHBondContact O-N 2.02Å; G9-V12 PolarHBondContact O-N 3.41Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 3.33Å; V12-C15 PolarHBondContact O-N 2.89Å
13	V	29.3	Very low	46.2	Very low	122 Å²	122	104.9 Å²	104.9	74%	0.739	56%	0.563	S	S	*	*	H	α-helix	trans	-72.7	-25.4	174.3	176.5	0	0	0	0	112.4	G9 C15	G9-V13 WeakPolarHBondContact O-CG2 3.25Å; G9-V13 PolarHBondContact O-N 2.78Å; G9-V13 VanDerWaalsContact O-N 3.08Å; V13-C15 VanDerWaalsContact C-N 3.35Å
14	S	31.1	Very low	48.4	Very low	99 Å²	99	98.4 Å²	98.4	69%	0.692	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.6	175.9	-161.6	0	0	0	0	113.6	L10 V12	L10-S14 PolarHBondContact O-N 3.12Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 3.33Å
15	C	29.1	Very low	51	Low	105 Å²	105	91.4 Å²	91.4	71%	0.709	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-0.5	-174.7	-142.2	0	0	0	0	114.1	A11 V12 V13	A11-C15 WeakPolarHBondContact O-CB 3.17Å; A11-C15 PolarHBondContact O-N 3.07Å; V12-C15 PolarHBondContact O-N 2.89Å; V13-C15 VanDerWaalsContact C-N 3.35Å
16	C	28.4	Very low	53.6	Low	109 Å²	109	81.3 Å²	81.3	74%	0.736	47%	0.467	S	S	*	.			trans	-99	5.9	-179.6	-70.3	0	0	0	0	114.8	G18	C16-G18 PolarHBondContact O-N 3.39Å
17	E	35.9	Very low	56.2	Low	185 Å²	185	78.2 Å²	78.2	86%	0.864	45%	0.449	S	S	*	.	S	Bend	trans	-78.1	72	156.9	-80.6	-174.4	168.9	0	0	108.3	R19	E17-R19 PolarHBondContact O-N 3.15Å
18	G	40.8	Very low	58.5	Low	56 Å²	56	76 Å²	76	58%	0.577	43%	0.432	S	S	*	.			trans	-51.6	133.1	177.4	0	0	0	0	0	110.7	C16 R20	C16-G18 PolarHBondContact O-N 3.39Å; G18-R20 PolarHBondContact O-N 3.08Å
19	R	60.1	Low	60.8	Low	246 Å²	246	73 Å²	73	93%	0.928	42%	0.415	S	S	*	.			trans	1.8	38.2	161.7	-63	179	178.7	174.8	0.6	119.9	E17 N21	E17-R19 PolarHBondContact O-N 3.15Å; R19-N21 PolarHBondContact O-N 3.05Å
20	R	76.8	Confident	63.4	Low	113 Å²	113	77.9 Å²	77.9	43%	0.426	43%	0.428	S	S	.	.			trans	-66.6	126.2	-178.8	-174.1	177.6	176	-97.1	0.8	109.1	G18 A22 D25 E219	G18-R20 PolarHBondContact O-N 3.08Å; R20-A22 PolarHBondContact O-N 2.66Å; R20-D25 IonicContact CZ-OD1 2.69Å; R20-D25 VanDerWaalsContact CZ-OD1 3.29Å; R20-D25 IonicContact NH1-OD1 2.83Å; R20-D25 PolarHBondContact NH1-OD1 2.75Å; R20-D25 IonicContact NH1-OD2 3.28Å; R20-D25 PolarHBondContact NH1-OD2 2.82Å; R20-D25 VanDerWaalsContact NH1-OD2 3.1Å; R20-D25 IonicContact NH2-OD1 3.7Å; R20-D25 PolarHBondContact NH2-OD1 3.29Å; R20-E219 IonicContact CZ-OE1 3.21Å; R20-E219 IonicContact CZ-OE2 3.01Å; R20-E219 VanDerWaalsContact CZ-OE2 3.26Å; R20-E219 IonicContact NE-OE1 2.63Å; R20-E219 IonicContact NE-OE2 3.31Å; R20-E219 PolarHBondContact NE-OE2 2.6Å; R20-E219 IonicContact NH2-OE1 3.92Å; R20-E219 PolarHBondContact NH2-OE1 3.27Å; R20-E219 IonicContact NH2-OE2 2.7Å; R20-E219 PolarHBondContact NH2-OE2 3.17Å
21	N	86.1	Confident	66	Low	24 Å²	24	72.9 Å²	72.9	13%	0.128	41%	0.407	C	S	.	.			trans	-76.7	120.3	179	-165.1	-32.3	0	0	0	109.2	R19 L23 Q24 L225	R19-N21 PolarHBondContact O-N 3.05Å; N21-L23 PolarHBondContact O-N 3.48Å; N21-L23 WeakPolarHBondContact OD1-CB 3.48Å; N21-L23 WeakPolarHBondContact OD1-CG 3.41Å; N21-L23 PolarHBondContact OD1-N 2.96Å; N21-L23 VanDerWaalsContact OD1-N 3.08Å; N21-Q24 WeakPolarHBondContact O-CG 3.35Å; N21-Q24 PolarHBondContact O-N 2.98Å; N21-L225 HydrophobicContact CB-CD1 4Å; N21-L225 VanDerWaalsContact ND2-CD1 3.34Å; N21-L225 WeakPolarHBondContact ND2-CD1 3.49Å
22	A	88.4	Confident	68.7	Low	8 Å²	8	71.3 Å²	71.3	7%	0.066	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-64.3	-13.4	-179.1	0	0	0	0	0	113.3	R20 Q24 D25 Y26 A56 K57	R20-A22 PolarHBondContact O-N 2.66Å; A22-Q24 PolarHBondContact O-N 2.89Å; A22-D25 PolarHBondContact O-N 3.1Å; A22-Y26 WeakPolarHBondContact O-CD2 3.29Å; A22-Y26 VanDerWaalsContact O-CE2 3.24Å; A22-Y26 WeakPolarHBondContact O-CE2 3.41Å; A22-A56 HydrophobicContact CB-CB 3.94Å; A22-K57 HydrophobicContact CB-CB 4.37Å; A22-K57 HydrophobicContact CB-CG 3.65Å
23	L	90.7	Very high	71.4	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.021	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-68.3	-19.3	176	-69.5	167.8	0	0	0	113.4	N21 D25 Y26 L52 T53 A56 F73 Y105 R222 L225	N21-L23 PolarHBondContact O-N 3.48Å; N21-L23 WeakPolarHBondContact OD1-CB 3.48Å; N21-L23 WeakPolarHBondContact OD1-CG 3.41Å; N21-L23 PolarHBondContact OD1-N 2.96Å; N21-L23 VanDerWaalsContact OD1-N 3.08Å; L23-D25 PolarHBondContact O-N 2.97Å; L23-Y26 PolarHBondContact O-N 3.24Å; L23-L52 HydrophobicContact CD1-CD2 3.95Å; L23-L52 HydrophobicContact CD1-CG 3.97Å; L23-L52 HydrophobicContact CD2-CD1 3.96Å; L23-L52 HydrophobicContact CD2-CD2 4.3Å; L23-L52 HydrophobicContact CD2-CG 3.85Å; L23-T53 HydrophobicContact CD1-CG2 4.06Å; L23-A56 HydrophobicContact CD2-CB 3.7Å; L23-A56 HydrophobicContact CG-CB 4.08Å; L23-F73 HydrophobicContact CD2-CZ 4.15Å; L23-Y105 HydrophobicContact CD2-CD1 4.14Å; L23-Y105 HydrophobicContact CD2-CE1 4.09Å; L23-R222 WeakPolarHBondContact O-CD 3.31Å; L23-R222 PolarHBondContact O-NH1 2.95Å; L23-L225 HydrophobicContact CD1-CD2 4.4Å
24	Q	90.9	Very high	74.1	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.009	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-57.7	-33.8	175.5	-59.8	-68.7	8.1	0	0	111.9	N21 A22 Y26 K108 E219 C220 N246 T262	N21-Q24 WeakPolarHBondContact O-CG 3.35Å; N21-Q24 PolarHBondContact O-N 2.98Å; A22-Q24 PolarHBondContact O-N 2.89Å; Q24-Y26 PolarHBondContact O-N 3.03Å; Q24-K108 WeakPolarHBondContact O-CD 3.48Å; Q24-K108 WeakPolarHBondContact O-CE 3.29Å; Q24-K108 PolarHBondContact O-NZ 2.93Å; Q24-E219 WeakPolarHBondContact CB-OE1 3.44Å; Q24-C220 PolarHBondContact OE1-O 2.89Å; Q24-C220 VanDerWaalsContact OE1-O 3.1Å; Q24-N246 PolarHBondContact OE1-ND2 3.33Å; Q24-T262 HydrophobicContact CG-CG2 4.41Å
25	D	89.6	Confident	76.6	Confident	38 Å²	38	63.1 Å²	63.1	20%	0.203	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-74.8	-6.8	-176.4	-58.6	-36.1	0	0	0	113.6	R20 A22 L23 K107 K108	R20-D25 IonicContact CZ-OD1 2.69Å; R20-D25 VanDerWaalsContact CZ-OD1 3.29Å; R20-D25 IonicContact NH1-OD1 2.83Å; R20-D25 PolarHBondContact NH1-OD1 2.75Å; R20-D25 IonicContact NH1-OD2 3.28Å; R20-D25 PolarHBondContact NH1-OD2 2.82Å; R20-D25 VanDerWaalsContact NH1-OD2 3.1Å; R20-D25 IonicContact NH2-OD1 3.7Å; R20-D25 PolarHBondContact NH2-OD1 3.29Å; A22-D25 PolarHBondContact O-N 3.1Å; L23-D25 PolarHBondContact O-N 2.97Å; D25-K107 WeakPolarHBondContact O-CA 3.18Å; D25-K108 PolarHBondContact O-N 2.98Å
26	Y	91.9	Very high	79.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.3	-171.5	-62.9	-96.8	0	0	0	112.1	A22 L23 Q24 A56 C59 S60 F73 Q106 K107 R222	A22-Y26 WeakPolarHBondContact O-CD2 3.29Å; A22-Y26 VanDerWaalsContact O-CE2 3.24Å; A22-Y26 WeakPolarHBondContact O-CE2 3.41Å; L23-Y26 PolarHBondContact O-N 3.24Å; Q24-Y26 PolarHBondContact O-N 3.03Å; Y26-A56 HydrophobicContact CD2-CB 4.43Å; Y26-A56 HydrophobicContact CE2-CB 4.1Å; Y26-C59 VanDerWaalsContact OH-CB 3.28Å; Y26-C59 WeakPolarHBondContact OH-CB 3.06Å; Y26-C59 PolarHBondContact OH-SG 3.17Å; Y26-S60 WeakPolarHBondContact CE2-OG 3.41Å; Y26-S60 PolarHBondContact OH-N 3.21Å; Y26-S60 PolarHBondContact OH-OG 3.43Å; Y26-S60 VanDerWaalsContact OH-OG 3.07Å; Y26-F73 AromaticContact CD1-CD1 3.99Å; Y26-F73 HydrophobicContact CD1-CD1 3.99Å; Y26-F73 AromaticContact CD1-CE1 3.59Å; Y26-F73 HydrophobicContact CD1-CE1 3.59Å; Y26-F73 HydrophobicContact CD2-CE1 4.19Å; Y26-F73 AromaticContact CE1-CD1 3.66Å; Y26-F73 HydrophobicContact CE1-CD1 3.66Å; Y26-F73 AromaticContact CE1-CE1 3.54Å; Y26-F73 HydrophobicContact CE1-CE1 3.54Å; Y26-F73 HydrophobicContact CE2-CE1 4.16Å; Y26-F73 AromaticContact CG-CE1 3.93Å; Y26-F73 HydrophobicContact CG-CE1 3.93Å; Y26-F73 AromaticContact CZ-CE1 3.85Å; Y26-Q106 CarbonylContact C-O 3.52Å; Y26-Q106 VanDerWaalsContact CA-O 3.22Å; Y26-Q106 WeakPolarHBondContact CA-O 3.2Å; Y26-K107 HydrophobicContact CD1-CG 3.88Å; Y26-K107 HydrophobicContact CE1-CB 4.42Å; Y26-K107 HydrophobicContact CE1-CD 4.42Å; Y26-K107 HydrophobicContact CE1-CG 3.36Å; Y26-K107 HydrophobicContact CE2-CG 4.46Å; Y26-K107 VanDerWaalsContact OH-CE 3.31Å; Y26-K107 WeakPolarHBondContact OH-CE 2.99Å; Y26-R222 PolarHBondContact O-NH1 3.22Å
27	Q	93.1	Very high	80.9	Confident	49 Å²	49	59.4 Å²	59.4	23%	0.229	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.4	164.2	-176.3	178	10.9	0	0	109	Y105 Q106 K108 I111 D245	Q27-Y105 WeakPolarHBondContact O-CA 3.26Å; Q27-Q106 PolarHBondContact N-O 3.35Å; Q27-Q106 PolarHBondContact O-N 3.06Å; Q27-K108 HydrophobicContact CB-CG 4.23Å; Q27-I111 HydrophobicContact CB-CD1 3.67Å; Q27-I111 HydrophobicContact CG-CD1 4.44Å; Q27-D245 WeakPolarHBondContact CA-OD2 3.16Å; Q27-D245 WeakPolarHBondContact CG-OD2 3.25Å
28	K	92.9	Very high	82.1	Confident	46 Å²	46	54 Å²	54	20%	0.2	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	140.4	177	-171.8	-173.8	-177.2	-163	0	110.8	E30 D103 L104 Y105 D245	K28-E30 HydrophobicContact CD-CG 4.11Å; K28-E30 HydrophobicContact CG-CG 4.46Å; K28-E30 IonicContact NZ-OE1 3.91Å; K28-E30 PolarHBondContact NZ-OE1 3.38Å; K28-D103 WeakPolarHBondContact CE-OD2 3.44Å; K28-D103 IonicContact NZ-OD2 2.74Å; K28-D103 PolarHBondContact NZ-OD2 3.13Å; K28-L104 CarbonylContact C-O 3.59Å; K28-L104 WeakPolarHBondContact CA-O 3.36Å; K28-Y105 HydrophobicContact CB-CD1 4.25Å; K28-Y105 HydrophobicContact CB-CE1 4.04Å; K28-Y105 HydrophobicContact CD-CE1 4.09Å; K28-Y105 WeakPolarHBondContact CE-OH 3.44Å; K28-Y105 HydrophobicContact CG-CD1 4.31Å; K28-Y105 HydrophobicContact CG-CE1 3.78Å; K28-D245 WeakPolarHBondContact CB-OD1 3.2Å; K28-D245 PolarHBondContact N-OD1 3.12Å; K28-D245 PolarHBondContact N-OD2 2.77Å
29	S	91.4	Very high	82.9	Confident	21 Å²	21	56.8 Å²	56.8	15%	0.147	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	110.2	165.3	-56.2	0	0	0	0	108	R89 L104	S29-R89 PolarHBondContact OG-NH2 3.29Å; S29-L104 PolarHBondContact N-O 3.19Å; S29-L104 PolarHBondContact O-N 3.48Å
30	E	87.8	Confident	82.5	Confident	138 Å²	138	50.1 Å²	50.1	65%	0.645	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	143.4	-177	-71.3	-171.8	161.8	0	0	111.4	K28 T32 D103	K28-E30 HydrophobicContact CD-CG 4.11Å; K28-E30 HydrophobicContact CG-CG 4.46Å; K28-E30 IonicContact NZ-OE1 3.91Å; K28-E30 PolarHBondContact NZ-OE1 3.38Å; E30-T32 PolarHBondContact O-N 3.03Å; E30-T32 VanDerWaalsContact O-N 3.11Å; E30-T32 PolarHBondContact O-OG1 3.44Å; E30-D103 WeakPolarHBondContact CA-OD1 3.49Å
31	G	87.1	Confident	81.3	Confident	19 Å²	19	50.6 Å²	50.6	20%	0.196	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	36.7	174.5	0	0	0	0	0	113.3	Q98 N99 Y102 D103	G31-Q98 CarbonylContact O-C 3.51Å; G31-Q98 WeakPolarHBondContact O-CA 3.28Å; G31-N99 CarbonylContact C-O 3.52Å; G31-N99 WeakPolarHBondContact CA-O 3.43Å; G31-N99 CarbonylContact O-C 3.57Å; G31-N99 PolarHBondContact O-N 3.26Å; G31-Y102 CarbonylContact C-O 3.26Å; G31-Y102 VanDerWaalsContact CA-O 3.27Å; G31-Y102 WeakPolarHBondContact CA-O 3.4Å; G31-Y102 PolarHBondContact N-O 2.75Å; G31-D103 PolarHBondContact N-OD1 3.18Å
32	T	89.4	Confident	80	Confident	26 Å²	26	53.1 Å²	53.1	16%	0.16	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.2	-174.3	-58.6	0	0	0	0	110	E30 Y102 L104	E30-T32 PolarHBondContact O-N 3.03Å; E30-T32 VanDerWaalsContact O-N 3.11Å; E30-T32 PolarHBondContact O-OG1 3.44Å; T32-Y102 PolarHBondContact N-O 3.48Å; T32-L104 HydrophobicContact CG2-CB 4.34Å; T32-L104 HydrophobicContact CG2-CD2 4.01Å; T32-L104 WeakPolarHBondContact O-CB 3.33Å; T32-L104 PolarHBondContact O-N 3.4Å
33	R	88.2	Confident	78.9	Confident	106 Å²	106	54.9 Å²	54.9	40%	0.4	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.1	172.1	179.6	177.8	177.3	-166.8	-2.3	110	L74 H97 N99	R33-L74 HydrophobicContact CG-CD1 3.99Å; R33-H97 PolarHBondContact N-O 3.34Å; R33-H97 PolarHBondContact O-N 2.6Å; R33-N99 HydrophobicContact CB-CB 3.71Å
34	L	87.3	Confident	77.8	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.7	171.2	-163.2	71.3	0	0	0	109.7	L85 F87 R89 A94 L104	L34-L85 HydrophobicContact CB-CD1 4.03Å; L34-L85 HydrophobicContact CD2-CD1 4.21Å; L34-F87 HydrophobicContact CB-CE2 4.45Å; L34-F87 HydrophobicContact CD2-CD2 3.65Å; L34-F87 HydrophobicContact CD2-CE2 3.74Å; L34-F87 HydrophobicContact CG-CD2 4.17Å; L34-F87 HydrophobicContact CG-CE2 3.83Å; L34-R89 HydrophobicContact CD1-CB 4.41Å; L34-A94 HydrophobicContact CD1-CB 4.37Å; L34-L104 HydrophobicContact CB-CD1 3.91Å; L34-L104 HydrophobicContact CB-CD2 4.03Å
35	A	83.4	Confident	76.9	Confident	26 Å²	26	62.3 Å²	62.3	22%	0.215	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.1	177.5	0	0	0	0	0	110.4	A94 Q95	A35-A94 WeakPolarHBondContact O-CA 3.45Å; A35-Q95 PolarHBondContact N-O 3.08Å; A35-Q95 PolarHBondContact O-N 3.29Å
36	V	80.3	Confident	76.3	Confident	31 Å²	31	64.5 Å²	64.5	19%	0.188	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.9	174.6	-174.3	0	0	0	0	107.7	S38 F87 G93	V36-S38 VanDerWaalsContact C-N 3.31Å; V36-S38 VanDerWaalsContact CG1-O 3.23Å; V36-S38 WeakPolarHBondContact CG1-O 3.46Å; V36-S38 PolarHBondContact O-N 3.3Å; V36-F87 HydrophobicContact CG2-CD1 4.19Å; V36-F87 HydrophobicContact CG2-CD2 3.77Å; V36-F87 HydrophobicContact CG2-CE1 3.97Å; V36-F87 HydrophobicContact CG2-CE2 3.53Å; V36-F87 HydrophobicContact CG2-CG 4.11Å; V36-F87 HydrophobicContact CG2-CZ 3.64Å; V36-G93 WeakPolarHBondContact CA-O 3.48Å; V36-G93 WeakPolarHBondContact CG1-O 3.41Å
37	V	67.1	Low	75.9	Confident	106 Å²	106	67.4 Å²	67.4	64%	0.642	39%	0.389	S	S	*	.	S	Bend	trans	-70.3	-27.4	-172.4	-179.3	0	0	0	0	112.6	G93 Q95	V37-G93 PolarHBondContact N-O 2.82Å; V37-Q95 VanDerWaalsContact CG2-CD 3.4Å; V37-Q95 HydrophobicContact CG2-CG 4.04Å
38	S	60.8	Low	75.5	Confident	70 Å²	70	70.2 Å²	70.2	49%	0.49	40%	0.397	S	S	.	.	S	Bend	trans	-128.4	114.2	172.3	168	0	0	0	0	107.9	V36 D40	V36-S38 VanDerWaalsContact C-N 3.31Å; V36-S38 VanDerWaalsContact CG1-O 3.23Å; V36-S38 WeakPolarHBondContact CG1-O 3.46Å; V36-S38 PolarHBondContact O-N 3.3Å; S38-D40 PolarHBondContact O-N 3.09Å
39	P	56.7	Low	75.2	Confident	115 Å²	115	76.1 Å²	76.1	75%	0.747	42%	0.423	S	S	*	.			trans	-73.1	75.8	172.8	30.2	-30.9	0	0	0	108.8
40	D	52.3	Low	75	Confident	107 Å²	107	76.2 Å²	76.2	57%	0.572	42%	0.422	S	S	*	.			trans	-54.6	144.1	162.7	-105.2	-24.4	0	0	0	108.7	S38 S42 H43	S38-D40 PolarHBondContact O-N 3.09Å; D40-S42 PolarHBondContact O-N 2.83Å; D40-H43 PolarHBondContact O-N 3.07Å
41	S	51.7	Low	75	Confident	122 Å²	122	71.8 Å²	71.8	85%	0.853	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-4.2	-173.7	58.3	0	0	0	0	115.4
42	S	58.5	Low	75.1	Confident	78 Å²	78	72.5 Å²	72.5	55%	0.545	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-20.9	176.1	62.5	0	0	0	0	114.5	D40 L44	D40-S42 PolarHBondContact O-N 2.83Å; S42-L44 PolarHBondContact O-N 3.17Å
43	H	66.8	Low	75	Confident	45 Å²	45	73.8 Å²	73.8	21%	0.208	41%	0.413	C	S	.	.			trans	-94.4	85	-174.6	-69.2	-63.1	0	0	0	112.7	D40 F87	D40-H43 PolarHBondContact O-N 3.07Å; H43-F87 HydrophobicContact CB-CD1 4.01Å; H43-F87 HydrophobicContact CB-CE1 4.26Å; H43-F87 AromaticContact ND1-CD1 3.6Å; H43-F87 AromaticContact ND1-CG 3.83Å
44	L	66.6	Low	75	Confident	83 Å²	83	74.9 Å²	74.9	44%	0.435	42%	0.421	S	S	.	.			trans	-82	139.4	-178.6	-61.2	168.5	0	0	0	112.6	S42 F67 S86	S42-L44 PolarHBondContact O-N 3.17Å; L44-F67 HydrophobicContact CB-CB 4.12Å; L44-F67 HydrophobicContact CB-CD1 3.29Å; L44-F67 HydrophobicContact CB-CD2 4.17Å; L44-F67 HydrophobicContact CB-CE1 3.62Å; L44-F67 HydrophobicContact CB-CE2 4.44Å; L44-F67 HydrophobicContact CB-CG 3.61Å; L44-F67 HydrophobicContact CB-CZ 4.19Å; L44-F67 HydrophobicContact CD1-CB 3.6Å; L44-F67 HydrophobicContact CD1-CD1 3.88Å; L44-F67 HydrophobicContact CD1-CG 4Å; L44-F67 HydrophobicContact CG-CB 4.5Å; L44-F67 HydrophobicContact CG-CD1 4.18Å; L44-F67 HydrophobicContact CG-CG 4.46Å; L44-S86 PolarHBondContact N-OG 3.14Å; L44-S86 WeakPolarHBondContact O-CB 3.39Å; L44-S86 PolarHBondContact O-N 2.82Å; L44-S86 PolarHBondContact O-OG 2.86Å
45	T	72	Confident	75.1	Confident	78 Å²	78	74.7 Å²	74.7	48%	0.479	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.7	174.6	64.5	0	0	0	0	111.1	W84 L85 F87	T45-W84 WeakPolarHBondContact CA-O 3.31Å; T45-L85 HydrophobicContact CG2-CD2 3.71Å; T45-F87 HydrophobicContact CG2-CE1 4.04Å
46	K	77.9	Confident	75.3	Confident	85 Å²	85	73.5 Å²	73.5	37%	0.37	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.5	175.5	-176.2	166.6	176.8	178	0	109.7	L65 P66 F67 Q83 W84	K46-L65 HydrophobicContact CB-CD2 4.48Å; K46-L65 HydrophobicContact CD-CD2 3.73Å; K46-L65 HydrophobicContact CG-CD2 4.39Å; K46-P66 HydrophobicContact CD-CG 4.39Å; K46-F67 HydrophobicContact CB-CE1 3.97Å; K46-F67 HydrophobicContact CB-CZ 3.96Å; K46-Q83 CarbonylContact O-C 3.16Å; K46-Q83 WeakPolarHBondContact O-CA 3.36Å; K46-W84 HydrophobicContact CB-CE3 4.28Å; K46-W84 HydrophobicContact CG-CE3 4.33Å; K46-W84 HydrophobicContact CG-CZ3 4.45Å; K46-W84 PolarHBondContact N-O 2.74Å; K46-W84 PolarHBondContact O-N 3.25Å
47	S	82.8	Confident	75.6	Confident	60 Å²	60	76 Å²	76	42%	0.42	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.8	178.9	72.5	0	0	0	0	112.9	K81 C82	S47-K81 VanDerWaalsContact OG-CE 3.29Å; S47-K81 WeakPolarHBondContact OG-CE 3.47Å; S47-C82 CarbonylContact C-O 3.53Å; S47-C82 WeakPolarHBondContact CA-O 3.4Å
48	R	84.9	Confident	76.4	Confident	108 Å²	108	72 Å²	72	41%	0.408	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	148.1	174.9	-170.9	172	74	-172.1	-7.5	110.4	L50 C82 W84	R48-L50 HydrophobicContact CB-CD1 3.72Å; R48-L50 HydrophobicContact CG-CD1 3.88Å; R48-L50 PolarHBondContact O-N 3.35Å; R48-C82 PolarHBondContact N-O 2.94Å; R48-C82 WeakPolarHBondContact O-CB 3.41Å; R48-C82 PolarHBondContact O-N 2.9Å; R48-W84 HydrophobicContact CB-CH2 3.93Å; R48-W84 HydrophobicContact CB-CZ3 3.79Å
49	K	86.3	Confident	77.5	Confident	170 Å²	170	68.7 Å²	68.7	74%	0.739	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.1	171.8	-68.9	-175.7	177.3	-178.4	0	110.2	R80	K49-R80 WeakPolarHBondContact CA-O 3.37Å
50	L	86.5	Confident	78.6	Confident	24 Å²	24	65 Å²	65	13%	0.126	35%	0.347	C	S	.	.			trans	-154.3	161.3	-179.4	-78.4	121.8	0	0	0	110.3	R48 K54 Y75 R80 C82 W84	R48-L50 HydrophobicContact CB-CD1 3.72Å; R48-L50 HydrophobicContact CG-CD1 3.88Å; R48-L50 PolarHBondContact O-N 3.35Å; L50-K54 HydrophobicContact CB-CB 4.41Å; L50-K54 HydrophobicContact CD2-CB 3.54Å; L50-K54 HydrophobicContact CD2-CD 4.42Å; L50-Y75 WeakPolarHBondContact O-CE2 3.24Å; L50-Y75 PolarHBondContact O-OH 3.25Å; L50-R80 PolarHBondContact N-O 3.27Å; L50-C82 HydrophobicContact CB-CB 4.36Å; L50-C82 HydrophobicContact CD1-CB 4.21Å; L50-W84 HydrophobicContact CD1-CH2 3.32Å; L50-W84 HydrophobicContact CD1-CZ2 3.62Å; L50-W84 HydrophobicContact CD1-CZ3 4.37Å
51	S	88.7	Confident	79.5	Confident	44 Å²	44	69 Å²	69	31%	0.308	35%	0.354	S	S	.	.			trans	-69.4	153.7	162.9	67	0	0	0	0	111.4	T53 K54 C55	S51-T53 VanDerWaalsContact C-N 3.33Å; S51-T53 PolarHBondContact O-N 3.15Å; S51-T53 PolarHBondContact OG-OG1 2.71Å; S51-K54 PolarHBondContact O-N 3.29Å; S51-K54 VanDerWaalsContact O-N 3.07Å; S51-K54 WeakPolarHBondContact OG-CB 3.26Å; S51-K54 VanDerWaalsContact OG-CG 3.28Å; S51-K54 WeakPolarHBondContact OG-CG 3.43Å; S51-K54 PolarHBondContact OG-N 2.87Å; S51-C55 WeakPolarHBondContact O-CB 3.37Å; S51-C55 PolarHBondContact O-N 3.25Å
52	L	88.6	Confident	79.9	Confident	34 Å²	34	64 Å²	64	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-51.4	-48.4	177.4	178.5	61.1	0	0	0	112.7	L23 K54 C55 A56 F73 Y75 Y105	L23-L52 HydrophobicContact CD1-CD2 3.95Å; L23-L52 HydrophobicContact CD1-CG 3.97Å; L23-L52 HydrophobicContact CD2-CD1 3.96Å; L23-L52 HydrophobicContact CD2-CD2 4.3Å; L23-L52 HydrophobicContact CD2-CG 3.85Å; L52-K54 VanDerWaalsContact C-N 3.34Å; L52-K54 PolarHBondContact O-N 2.86Å; L52-C55 VanDerWaalsContact O-CB 3.28Å; L52-C55 WeakPolarHBondContact O-CB 3.3Å; L52-C55 PolarHBondContact O-N 3.22Å; L52-C55 VanDerWaalsContact O-N 3.15Å; L52-A56 PolarHBondContact O-N 3.21Å; L52-F73 HydrophobicContact CD1-CE2 3.74Å; L52-F73 HydrophobicContact CD1-CZ 4.11Å; L52-Y75 HydrophobicContact CB-CD1 4.34Å; L52-Y75 HydrophobicContact CB-CD2 4.35Å; L52-Y75 HydrophobicContact CB-CE1 4Å; L52-Y75 HydrophobicContact CB-CE2 4Å; L52-Y75 HydrophobicContact CD1-CD1 4.02Å; L52-Y75 HydrophobicContact CD1-CD2 4.02Å; L52-Y75 HydrophobicContact CD1-CG 3.74Å; L52-Y75 PolarHBondContact N-OH 3.01Å; L52-Y105 HydrophobicContact CD1-CD2 4.29Å; L52-Y105 HydrophobicContact CD1-CE1 4.2Å; L52-Y105 HydrophobicContact CD1-CE2 3.73Å
53	T	87.4	Confident	79.6	Confident	54 Å²	54	69.9 Å²	69.9	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-37.2	178.3	52.3	0	0	0	0	113	L23 S51 K57	L23-T53 HydrophobicContact CD1-CG2 4.06Å; S51-T53 VanDerWaalsContact C-N 3.33Å; S51-T53 PolarHBondContact O-N 3.15Å; S51-T53 PolarHBondContact OG-OG1 2.71Å; T53-K57 WeakPolarHBondContact O-CB 3.47Å; T53-K57 VanDerWaalsContact O-CG 3.28Å; T53-K57 WeakPolarHBondContact O-CG 3.09Å; T53-K57 PolarHBondContact O-N 2.82Å
54	K	87.8	Confident	78.8	Confident	129 Å²	129	77.3 Å²	77.3	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-73.9	-32.8	175.3	-70.1	176.8	-178.6	176.3	0	111.7	L50 S51 L52 T58	L50-K54 HydrophobicContact CB-CB 4.41Å; L50-K54 HydrophobicContact CD2-CB 3.54Å; L50-K54 HydrophobicContact CD2-CD 4.42Å; S51-K54 PolarHBondContact O-N 3.29Å; S51-K54 VanDerWaalsContact O-N 3.07Å; S51-K54 WeakPolarHBondContact OG-CB 3.26Å; S51-K54 VanDerWaalsContact OG-CG 3.28Å; S51-K54 WeakPolarHBondContact OG-CG 3.43Å; S51-K54 PolarHBondContact OG-N 2.87Å; L52-K54 VanDerWaalsContact C-N 3.34Å; L52-K54 PolarHBondContact O-N 2.86Å; K54-T58 WeakPolarHBondContact O-CB 3.23Å; K54-T58 PolarHBondContact O-N 2.99Å; K54-T58 PolarHBondContact O-OG1 3.38Å
55	C	89.1	Confident	78.3	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-52.2	173.7	-179.5	0	0	0	0	110.4	S51 L52 T58 C59 F73 Y75 C82 W84	S51-C55 WeakPolarHBondContact O-CB 3.37Å; S51-C55 PolarHBondContact O-N 3.25Å; L52-C55 VanDerWaalsContact O-CB 3.28Å; L52-C55 WeakPolarHBondContact O-CB 3.3Å; L52-C55 PolarHBondContact O-N 3.22Å; L52-C55 VanDerWaalsContact O-N 3.15Å; C55-T58 PolarHBondContact O-N 3.17Å; C55-C59 WeakPolarHBondContact O-CB 3.28Å; C55-C59 PolarHBondContact O-N 2.75Å; C55-F73 HydrophobicContact CB-CE2 4.43Å; C55-F73 WeakPolarHBondContact SG-CD2 2.93Å; C55-F73 VanDerWaalsContact SG-CE2 3.6Å; C55-Y75 HydrophobicContact CB-CD2 4.37Å; C55-C82 HydrophobicContact CB-CB 3.61Å; C55-C82 WeakPolarHBondContact CB-SG 3.19Å; C55-C82 WeakPolarHBondContact SG-CB 3.39Å; C55-C82 CovalentContact SG-SG 2.01Å; C55-C82 PolarHBondContact SG-SG 3.04Å; C55-W84 PolarHBondContact O-NE1 2.91Å; C55-W84 VanDerWaalsContact O-NE1 3.08Å
56	A	89.2	Confident	77.1	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-49.2	175.7	0	0	0	0	0	112.2	A22 L23 Y26 L52 T58 C59 S60 F73	A22-A56 HydrophobicContact CB-CB 3.94Å; L23-A56 HydrophobicContact CD2-CB 3.7Å; L23-A56 HydrophobicContact CG-CB 4.08Å; Y26-A56 HydrophobicContact CD2-CB 4.43Å; Y26-A56 HydrophobicContact CE2-CB 4.1Å; L52-A56 PolarHBondContact O-N 3.21Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.12Å; A56-C59 PolarHBondContact O-N 2.75Å; A56-C59 VanDerWaalsContact O-N 3.16Å; A56-S60 WeakPolarHBondContact O-CB 3.46Å; A56-S60 PolarHBondContact O-N 3.14Å; A56-S60 PolarHBondContact O-OG 2.84Å; A56-S60 VanDerWaalsContact O-OG 3.1Å; A56-F73 HydrophobicContact CB-CE1 3.99Å; A56-F73 HydrophobicContact CB-CZ 3.98Å
57	K	86.7	Confident	76.1	Confident	84 Å²	84	72.6 Å²	72.6	37%	0.365	35%	0.346	S	S	.	.	H	α-helix	trans	-58.5	-38.7	177	-76.6	178	-179.1	-176.6	0	113.1	A22 T53 R61	A22-K57 HydrophobicContact CB-CB 4.37Å; A22-K57 HydrophobicContact CB-CG 3.65Å; T53-K57 WeakPolarHBondContact O-CB 3.47Å; T53-K57 VanDerWaalsContact O-CG 3.28Å; T53-K57 WeakPolarHBondContact O-CG 3.09Å; T53-K57 PolarHBondContact O-N 2.82Å; K57-R61 WeakPolarHBondContact O-CB 3.49Å; K57-R61 WeakPolarHBondContact O-CG 3.34Å; K57-R61 PolarHBondContact O-N 2.89Å; K57-R61 VanDerWaalsContact O-N 3.13Å
58	T	84.1	Confident	74.9	Confident	23 Å²	23	75.1 Å²	75.1	14%	0.141	35%	0.354	C	S	.	.	H	α-helix	trans	-69.4	-41.2	178.7	-55.2	0	0	0	0	111	K54 C55 A56 L65 W84	K54-T58 WeakPolarHBondContact O-CB 3.23Å; K54-T58 PolarHBondContact O-N 2.99Å; K54-T58 PolarHBondContact O-OG1 3.38Å; C55-T58 PolarHBondContact O-N 3.17Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.12Å; T58-L65 HydrophobicContact CG2-CD1 4.35Å; T58-L65 HydrophobicContact CG2-CG 4.48Å; T58-W84 HydrophobicContact CG2-CH2 4.08Å; T58-W84 HydrophobicContact CG2-CZ2 3.54Å
59	C	83.4	Confident	73.6	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-42.3	177.5	-164.6	0	0	0	0	110.9	Y26 C55 A56 R61 C69 F73	Y26-C59 VanDerWaalsContact OH-CB 3.28Å; Y26-C59 WeakPolarHBondContact OH-CB 3.06Å; Y26-C59 PolarHBondContact OH-SG 3.17Å; C55-C59 WeakPolarHBondContact O-CB 3.28Å; C55-C59 PolarHBondContact O-N 2.75Å; A56-C59 PolarHBondContact O-N 2.75Å; A56-C59 VanDerWaalsContact O-N 3.16Å; C59-R61 PolarHBondContact O-N 2.77Å; C59-C69 CarbonylContact C-O 3.4Å; C59-C69 HydrophobicContact CB-CB 4.07Å; C59-C69 WeakPolarHBondContact CB-SG 3.45Å; C59-C69 WeakPolarHBondContact SG-CB 3.47Å; C59-C69 PolarHBondContact SG-O 3.13Å; C59-C69 CovalentContact SG-SG 2.08Å; C59-C69 PolarHBondContact SG-SG 3.23Å; C59-F73 HydrophobicContact CB-CD1 4.24Å
60	S	79.9	Confident	72.4	Confident	37 Å²	37	62.7 Å²	62.7	26%	0.259	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-36.9	178.5	-63.7	0	0	0	0	114.1	Y26 A56	Y26-S60 WeakPolarHBondContact CE2-OG 3.41Å; Y26-S60 PolarHBondContact OH-N 3.21Å; Y26-S60 PolarHBondContact OH-OG 3.43Å; Y26-S60 VanDerWaalsContact OH-OG 3.07Å; A56-S60 WeakPolarHBondContact O-CB 3.46Å; A56-S60 PolarHBondContact O-N 3.14Å; A56-S60 PolarHBondContact O-OG 2.84Å; A56-S60 VanDerWaalsContact O-OG 3.1Å
61	R	69.6	Low	72.2	Confident	190 Å²	190	63.9 Å²	63.9	72%	0.717	31%	0.308	S	S	*	.	H	α-helix	trans	-81.7	-19	-173.6	-75.3	178.4	174.3	-178	-3.5	115	K57 C59 K63	K57-R61 WeakPolarHBondContact O-CB 3.49Å; K57-R61 WeakPolarHBondContact O-CG 3.34Å; K57-R61 PolarHBondContact O-N 2.89Å; K57-R61 VanDerWaalsContact O-N 3.13Å; C59-R61 PolarHBondContact O-N 2.77Å; R61-K63 PolarHBondContact O-N 3.23Å
62	G	60.2	Low	72.3	Confident	19 Å²	19	61.8 Å²	61.8	20%	0.196	29%	0.294	C	S	.	.			trans	62.9	-22	176.5	0	0	0	0	0	117.6	R64	G62-R64 VanDerWaalsContact C-N 3.29Å; G62-R64 PolarHBondContact O-N 3.1Å; G62-R64 VanDerWaalsContact O-N 3.07Å
63	K	52.5	Low	72.4	Confident	201 Å²	201	60.1 Å²	60.1	87%	0.874	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-0.2	-168	-72.6	-177	-179.7	-177.3	0	116.7	R61	R61-K63 PolarHBondContact O-N 3.23Å
64	R	50.7	Low	72.6	Confident	201 Å²	201	57.6 Å²	57.6	76%	0.758	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	10.6	-172.7	-66.3	-172.5	-176.1	174.8	0.6	115	G62	G62-R64 VanDerWaalsContact C-N 3.29Å; G62-R64 PolarHBondContact O-N 3.1Å; G62-R64 VanDerWaalsContact O-N 3.07Å
65	L	54.9	Low	72.8	Confident	21 Å²	21	52.1 Å²	52.1	11%	0.11	25%	0.245	C	C	.	.	S	Bend	trans	-118.1	144	-179.4	-65.9	170.2	0	0	0	109.1	K46 T58 F67 C69 W84	K46-L65 HydrophobicContact CB-CD2 4.48Å; K46-L65 HydrophobicContact CD-CD2 3.73Å; K46-L65 HydrophobicContact CG-CD2 4.39Å; T58-L65 HydrophobicContact CG2-CD1 4.35Å; T58-L65 HydrophobicContact CG2-CG 4.48Å; L65-F67 WeakPolarHBondContact CB-O 3.36Å; L65-F67 PolarHBondContact O-N 3.09Å; L65-F67 VanDerWaalsContact O-N 3.08Å; L65-C69 HydrophobicContact CD1-CB 3.28Å; L65-W84 HydrophobicContact CD1-CB 4.27Å; L65-W84 HydrophobicContact CD1-CD2 3.99Å; L65-W84 HydrophobicContact CD1-CE3 4.43Å; L65-W84 HydrophobicContact CD1-CG 3.94Å; L65-W84 HydrophobicContact CD2-CD2 4.09Å; L65-W84 HydrophobicContact CD2-CE3 3.7Å; L65-W84 HydrophobicContact CD2-CZ3 3.97Å
66	P	48.8	Very low	72.8	Confident	104 Å²	104	52.3 Å²	52.3	68%	0.675	25%	0.247	S	C	*	.	S	Bend	trans	-66.9	-6.9	-179.7	23.3	-27.3	0	0	0	113.1	K46	K46-P66 HydrophobicContact CD-CG 4.39Å
67	F	56.6	Low	72.5	Confident	22 Å²	22	57 Å²	57	10%	0.096	27%	0.268	C	S	.	.	S	Bend	trans	-141.9	158.2	174.8	54.2	-87.5	0	0	0	108.7	L44 K46 L65 C69	L44-F67 HydrophobicContact CB-CB 4.12Å; L44-F67 HydrophobicContact CB-CD1 3.29Å; L44-F67 HydrophobicContact CB-CD2 4.17Å; L44-F67 HydrophobicContact CB-CE1 3.62Å; L44-F67 HydrophobicContact CB-CE2 4.44Å; L44-F67 HydrophobicContact CB-CG 3.61Å; L44-F67 HydrophobicContact CB-CZ 4.19Å; L44-F67 HydrophobicContact CD1-CB 3.6Å; L44-F67 HydrophobicContact CD1-CD1 3.88Å; L44-F67 HydrophobicContact CD1-CG 4Å; L44-F67 HydrophobicContact CG-CB 4.5Å; L44-F67 HydrophobicContact CG-CD1 4.18Å; L44-F67 HydrophobicContact CG-CG 4.46Å; K46-F67 HydrophobicContact CB-CE1 3.97Å; K46-F67 HydrophobicContact CB-CZ 3.96Å; L65-F67 WeakPolarHBondContact CB-O 3.36Å; L65-F67 PolarHBondContact O-N 3.09Å; L65-F67 VanDerWaalsContact O-N 3.08Å; F67-C69 PolarHBondContact O-N 3.08Å
68	N	56.8	Low	72.4	Confident	112 Å²	112	61.7 Å²	61.7	60%	0.599	28%	0.284	S	S	*	.			trans	-63.3	102.2	169.5	-95.1	-5	0	0	0	109.3	S70	N68-S70 VanDerWaalsContact CB-OG 3.26Å; N68-S70 WeakPolarHBondContact CB-OG 3.4Å; N68-S70 PolarHBondContact O-N 3.13Å
69	C	57.8	Low	72.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.303	C	S	.	.			trans	-68.2	52.4	158.5	-174	0	0	0	0	109.5	C59 L65 F67 R71 W84	C59-C69 CarbonylContact C-O 3.4Å; C59-C69 HydrophobicContact CB-CB 4.07Å; C59-C69 WeakPolarHBondContact CB-SG 3.45Å; C59-C69 WeakPolarHBondContact SG-CB 3.47Å; C59-C69 PolarHBondContact SG-O 3.13Å; C59-C69 CovalentContact SG-SG 2.08Å; C59-C69 PolarHBondContact SG-SG 3.23Å; L65-C69 HydrophobicContact CD1-CB 3.28Å; F67-C69 PolarHBondContact O-N 3.08Å; C69-R71 PolarHBondContact O-N 3.4Å; C69-W84 HydrophobicContact CB-CB 4.05Å; C69-W84 HydrophobicContact CB-CG 4.25Å; C69-W84 WeakPolarHBondContact SG-CB 3.49Å
70	S	60.9	Low	72.5	Confident	18 Å²	18	73.9 Å²	73.9	13%	0.126	34%	0.335	C	S	.	.			trans	-81.8	-8.8	-175.1	-62.5	0	0	0	0	111.4	N68 K107 Y110	N68-S70 VanDerWaalsContact CB-OG 3.26Å; N68-S70 WeakPolarHBondContact CB-OG 3.4Å; N68-S70 PolarHBondContact O-N 3.13Å; S70-K107 WeakPolarHBondContact O-CD 3.03Å; S70-K107 VanDerWaalsContact O-CE 3.24Å; S70-K107 WeakPolarHBondContact O-CE 2.93Å; S70-K107 WeakPolarHBondContact O-CG 3.38Å; S70-Y110 WeakPolarHBondContact O-CD2 3.09Å; S70-Y110 WeakPolarHBondContact O-CE2 3.23Å
71	R	81.9	Confident	73	Confident	48 Å²	48	76 Å²	76	18%	0.181	34%	0.339	C	S	.	.	S	Bend	trans	-116.8	-57.1	-160.5	-61.2	-170.2	-179.7	-128.5	5.5	114.9	C69 S86 D88 K107 Y110	C69-R71 PolarHBondContact O-N 3.4Å; R71-S86 VanDerWaalsContact CD-O 3.31Å; R71-S86 WeakPolarHBondContact CD-O 3.28Å; R71-D88 HydrophobicContact CB-CB 4.31Å; R71-D88 WeakPolarHBondContact CD-OD2 3.29Å; R71-D88 IonicContact CZ-OD2 3.27Å; R71-D88 IonicContact NE-OD2 2.98Å; R71-D88 IonicContact NH1-OD2 2.67Å; R71-D88 PolarHBondContact NH1-OD2 2.66Å; R71-K107 PolarHBondContact O-N 3.21Å; R71-Y110 HydrophobicContact CG-CD1 4.13Å; R71-Y110 HydrophobicContact CG-CE1 4.25Å; R71-Y110 HydrophobicContact CG-CG 4.27Å
72	A	90.3	Very high	74	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165	-178.4	0	0	0	0	0	113.9	L85 F87 L104 Y105 Q106	A72-L85 HydrophobicContact CB-CB 4.26Å; A72-L85 HydrophobicContact CB-CD1 4.36Å; A72-L85 PolarHBondContact N-O 2.78Å; A72-L85 WeakPolarHBondContact O-CA 3.4Å; A72-L85 PolarHBondContact O-N 3.46Å; A72-L85 VanDerWaalsContact O-O 3.1Å; A72-F87 WeakPolarHBondContact CB-O 3.27Å; A72-L104 HydrophobicContact CB-CD1 4.27Å; A72-Y105 CarbonylContact C-O 3.56Å; A72-Y105 VanDerWaalsContact CA-O 3.22Å; A72-Y105 WeakPolarHBondContact CA-O 3.22Å; A72-Y105 WeakPolarHBondContact CB-O 3.36Å; A72-Q106 HydrophobicContact CB-CB 4.31Å; A72-Q106 HydrophobicContact CB-CG 3.92Å
73	F	91.7	Very high	75.4	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.9	166.8	68.2	-93.8	0	0	0	111.5	L23 Y26 L52 C55 A56 C59 Q83 Y105	L23-F73 HydrophobicContact CD2-CZ 4.15Å; Y26-F73 AromaticContact CD1-CD1 3.99Å; Y26-F73 HydrophobicContact CD1-CD1 3.99Å; Y26-F73 AromaticContact CD1-CE1 3.59Å; Y26-F73 HydrophobicContact CD1-CE1 3.59Å; Y26-F73 HydrophobicContact CD2-CE1 4.19Å; Y26-F73 AromaticContact CE1-CD1 3.66Å; Y26-F73 HydrophobicContact CE1-CD1 3.66Å; Y26-F73 AromaticContact CE1-CE1 3.54Å; Y26-F73 HydrophobicContact CE1-CE1 3.54Å; Y26-F73 HydrophobicContact CE2-CE1 4.16Å; Y26-F73 AromaticContact CG-CE1 3.93Å; Y26-F73 HydrophobicContact CG-CE1 3.93Å; Y26-F73 AromaticContact CZ-CE1 3.85Å; L52-F73 HydrophobicContact CD1-CE2 3.74Å; L52-F73 HydrophobicContact CD1-CZ 4.11Å; C55-F73 HydrophobicContact CB-CE2 4.43Å; C55-F73 WeakPolarHBondContact SG-CD2 2.93Å; C55-F73 VanDerWaalsContact SG-CE2 3.6Å; A56-F73 HydrophobicContact CB-CE1 3.99Å; A56-F73 HydrophobicContact CB-CZ 3.98Å; C59-F73 HydrophobicContact CB-CD1 4.24Å; F73-Q83 CarbonylContact C-O 3.41Å; F73-Q83 WeakPolarHBondContact CA-O 3.46Å; F73-Q83 WeakPolarHBondContact CB-O 3.38Å; F73-Y105 AromaticContact CD2-CD2 3.99Å; F73-Y105 HydrophobicContact CD2-CD2 3.99Å; F73-Y105 HydrophobicContact CD2-CG 4.27Å; F73-Y105 VanDerWaalsContact CE1-CB 3.44Å; F73-Y105 HydrophobicContact CE1-CG 4.11Å; F73-Y105 HydrophobicContact CE2-CD1 4.35Å; F73-Y105 AromaticContact CE2-CD2 3.33Å; F73-Y105 HydrophobicContact CE2-CD2 3.33Å; F73-Y105 HydrophobicContact CE2-CE2 4.1Å; F73-Y105 AromaticContact CE2-CG 3.49Å; F73-Y105 HydrophobicContact CE2-CG 3.49Å; F73-Y105 VanDerWaalsContact CE2-CG 3.49Å; F73-Y105 AromaticContact CZ-CD1 3.96Å; F73-Y105 HydrophobicContact CZ-CD1 3.96Å; F73-Y105 AromaticContact CZ-CD2 3.78Å; F73-Y105 HydrophobicContact CZ-CD2 3.78Å; F73-Y105 AromaticContact CZ-CG 3.39Å; F73-Y105 HydrophobicContact CZ-CG 3.39Å; F73-Y105 PolarHBondContact N-O 3.28Å; F73-Y105 PolarHBondContact O-N 2.92Å
74	L	91.4	Very high	77.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.7	169.5	-65	166.3	0	0	0	109	R33 Q83 L85 Y102 D103 L104	R33-L74 HydrophobicContact CG-CD1 3.99Å; L74-Q83 HydrophobicContact CB-CB 4.26Å; L74-Q83 PolarHBondContact N-O 3.4Å; L74-Q83 PolarHBondContact O-N 2.89Å; L74-L85 HydrophobicContact CD1-CD1 4.15Å; L74-L85 HydrophobicContact CD1-CD2 4.49Å; L74-L85 HydrophobicContact CG-CD1 4.01Å; L74-Y102 HydrophobicContact CB-CD1 4.11Å; L74-D103 WeakPolarHBondContact CA-O 2.99Å; L74-L104 HydrophobicContact CD2-CB 3.92Å; L74-L104 HydrophobicContact CD2-CD1 3.72Å; L74-L104 HydrophobicContact CD2-CG 4.41Å; L74-L104 HydrophobicContact CG-CD1 4.37Å
75	Y	92.1	Very high	78.8	Confident	14 Å²	14	48.8 Å²	48.8	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.6	175.9	-168.4	-99.5	0	0	0	110.8	L50 L52 C55 H77 C82 D103	L50-Y75 WeakPolarHBondContact O-CE2 3.24Å; L50-Y75 PolarHBondContact O-OH 3.25Å; L52-Y75 HydrophobicContact CB-CD1 4.34Å; L52-Y75 HydrophobicContact CB-CD2 4.35Å; L52-Y75 HydrophobicContact CB-CE1 4Å; L52-Y75 HydrophobicContact CB-CE2 4Å; L52-Y75 HydrophobicContact CD1-CD1 4.02Å; L52-Y75 HydrophobicContact CD1-CD2 4.02Å; L52-Y75 HydrophobicContact CD1-CG 3.74Å; L52-Y75 PolarHBondContact N-OH 3.01Å; C55-Y75 HydrophobicContact CB-CD2 4.37Å; Y75-H77 AromaticContact CD1-CD2 3.62Å; Y75-H77 AromaticContact CD1-CE1 3.88Å; Y75-H77 AromaticContact CD1-CG 3.97Å; Y75-H77 AromaticContact CD1-NE2 3.51Å; Y75-H77 AromaticContact CE1-CE1 3.96Å; Y75-H77 AromaticContact CE1-ND1 3.92Å; Y75-C82 HydrophobicContact CD2-CB 4.35Å; Y75-D103 PolarHBondContact N-O 2.94Å; Y75-D103 PolarHBondContact O-N 3.1Å
76	D	89.6	Confident	80.2	Confident	5 Å²	5	49 Å²	49	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110	172.6	179.9	-21.2	0	0	0	108.9	R78 N79 R80 K81 Y102	D76-R78 VanDerWaalsContact C-N 3.33Å; D76-R78 PolarHBondContact O-N 2.82Å; D76-R78 WeakPolarHBondContact OD1-CA 3.45Å; D76-R78 WeakPolarHBondContact OD1-CB 3.38Å; D76-R78 PolarHBondContact OD1-N 3.07Å; D76-N79 PolarHBondContact OD1-N 3.16Å; D76-N79 WeakPolarHBondContact OD2-CB 3.14Å; D76-N79 PolarHBondContact OD2-ND2 3.23Å; D76-R80 VanDerWaalsContact O-CA 3.25Å; D76-R80 WeakPolarHBondContact O-CA 3.42Å; D76-R80 PolarHBondContact O-N 3.18Å; D76-K81 HydrophobicContact CB-CB 4.11Å; D76-K81 PolarHBondContact N-O 3.24Å; D76-K81 PolarHBondContact O-N 2.92Å; D76-Y102 HydrophobicContact CB-CD1 4Å; D76-Y102 HydrophobicContact CB-CE1 3.7Å
77	H	82.6	Confident	81.9	Confident	98 Å²	98	44.4 Å²	44.4	45%	0.454	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.2	179.9	-79.9	-94.6	0	0	0	113	Y75 D103	Y75-H77 AromaticContact CD1-CD2 3.62Å; Y75-H77 AromaticContact CD1-CE1 3.88Å; Y75-H77 AromaticContact CD1-CG 3.97Å; Y75-H77 AromaticContact CD1-NE2 3.51Å; Y75-H77 AromaticContact CE1-CE1 3.96Å; Y75-H77 AromaticContact CE1-ND1 3.92Å; H77-D103 IonicContact CD2-OD2 2.82Å; H77-D103 IonicContact NE2-OD2 3.78Å; H77-D103 PolarHBondContact NE2-OD2 3.48Å; H77-D103 VanDerWaalsContact NE2-OD2 3.14Å
78	R	83.6	Confident	83.4	Confident	182 Å²	182	43.3 Å²	43.3	69%	0.687	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-47.5	-179.5	-63.5	-173.7	-179.4	-152.5	0.4	111.2	D76	D76-R78 VanDerWaalsContact C-N 3.33Å; D76-R78 PolarHBondContact O-N 2.82Å; D76-R78 WeakPolarHBondContact OD1-CA 3.45Å; D76-R78 WeakPolarHBondContact OD1-CB 3.38Å; D76-R78 PolarHBondContact OD1-N 3.07Å
79	N	85	Confident	84.9	Confident	101 Å²	101	43 Å²	43	54%	0.54	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	0	-175.1	-63.8	-60.1	0	0	0	114	D76 K81	D76-N79 PolarHBondContact OD1-N 3.16Å; D76-N79 WeakPolarHBondContact OD2-CB 3.14Å; D76-N79 PolarHBondContact OD2-ND2 3.23Å; N79-K81 HydrophobicContact CB-CB 4.17Å; N79-K81 PolarHBondContact O-N 3.38Å
80	R	85.8	Confident	86.3	Confident	179 Å²	179	46.4 Å²	46.4	68%	0.675	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	43.3	-171.2	-62.7	-175.9	174.4	-177.1	-1.6	111.3	K49 L50 D76	K49-R80 WeakPolarHBondContact CA-O 3.37Å; L50-R80 PolarHBondContact N-O 3.27Å; D76-R80 VanDerWaalsContact O-CA 3.25Å; D76-R80 WeakPolarHBondContact O-CA 3.42Å; D76-R80 PolarHBondContact O-N 3.18Å
81	K	89.8	Confident	87.6	Confident	80 Å²	80	46.1 Å²	46.1	35%	0.348	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.8	-174.5	-170.9	179.5	177.3	-177.3	0	109	S47 D76 N79	S47-K81 VanDerWaalsContact OG-CE 3.29Å; S47-K81 WeakPolarHBondContact OG-CE 3.47Å; D76-K81 HydrophobicContact CB-CB 4.11Å; D76-K81 PolarHBondContact N-O 3.24Å; D76-K81 PolarHBondContact O-N 2.92Å; N79-K81 HydrophobicContact CB-CB 4.17Å; N79-K81 PolarHBondContact O-N 3.38Å
82	C	90.3	Very high	87.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.4	175.9	171.9	0	0	0	0	108.8	S47 R48 L50 C55 Y75 W84	S47-C82 CarbonylContact C-O 3.53Å; S47-C82 WeakPolarHBondContact CA-O 3.4Å; R48-C82 PolarHBondContact N-O 2.94Å; R48-C82 WeakPolarHBondContact O-CB 3.41Å; R48-C82 PolarHBondContact O-N 2.9Å; L50-C82 HydrophobicContact CB-CB 4.36Å; L50-C82 HydrophobicContact CD1-CB 4.21Å; C55-C82 HydrophobicContact CB-CB 3.61Å; C55-C82 WeakPolarHBondContact CB-SG 3.19Å; C55-C82 WeakPolarHBondContact SG-CB 3.39Å; C55-C82 CovalentContact SG-SG 2.01Å; C55-C82 PolarHBondContact SG-SG 3.04Å; Y75-C82 HydrophobicContact CD2-CB 4.35Å; C82-W84 WeakPolarHBondContact SG-CZ2 3.36Å; C82-W84 PolarHBondContact SG-NE1 2.95Å
83	Q	89.8	Confident	87.1	Confident	40 Å²	40	50.9 Å²	50.9	19%	0.187	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112	173.3	174	176.7	-15.2	0	0	109.3	K46 F73 L74 L85	K46-Q83 CarbonylContact O-C 3.16Å; K46-Q83 WeakPolarHBondContact O-CA 3.36Å; F73-Q83 CarbonylContact C-O 3.41Å; F73-Q83 WeakPolarHBondContact CA-O 3.46Å; F73-Q83 WeakPolarHBondContact CB-O 3.38Å; L74-Q83 HydrophobicContact CB-CB 4.26Å; L74-Q83 PolarHBondContact N-O 3.4Å; L74-Q83 PolarHBondContact O-N 2.89Å; Q83-L85 HydrophobicContact CG-CD2 4.06Å
84	W	88.3	Confident	86.8	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	136.5	179.1	-65.9	-62.4	0	0	0	111.1	T45 K46 R48 L50 C55 T58 L65 C69 C82	T45-W84 WeakPolarHBondContact CA-O 3.31Å; K46-W84 HydrophobicContact CB-CE3 4.28Å; K46-W84 HydrophobicContact CG-CE3 4.33Å; K46-W84 HydrophobicContact CG-CZ3 4.45Å; K46-W84 PolarHBondContact N-O 2.74Å; K46-W84 PolarHBondContact O-N 3.25Å; R48-W84 HydrophobicContact CB-CH2 3.93Å; R48-W84 HydrophobicContact CB-CZ3 3.79Å; L50-W84 HydrophobicContact CD1-CH2 3.32Å; L50-W84 HydrophobicContact CD1-CZ2 3.62Å; L50-W84 HydrophobicContact CD1-CZ3 4.37Å; C55-W84 PolarHBondContact O-NE1 2.91Å; C55-W84 VanDerWaalsContact O-NE1 3.08Å; T58-W84 HydrophobicContact CG2-CH2 4.08Å; T58-W84 HydrophobicContact CG2-CZ2 3.54Å; L65-W84 HydrophobicContact CD1-CB 4.27Å; L65-W84 HydrophobicContact CD1-CD2 3.99Å; L65-W84 HydrophobicContact CD1-CE3 4.43Å; L65-W84 HydrophobicContact CD1-CG 3.94Å; L65-W84 HydrophobicContact CD2-CD2 4.09Å; L65-W84 HydrophobicContact CD2-CE3 3.7Å; L65-W84 HydrophobicContact CD2-CZ3 3.97Å; C69-W84 HydrophobicContact CB-CB 4.05Å; C69-W84 HydrophobicContact CB-CG 4.25Å; C69-W84 WeakPolarHBondContact SG-CB 3.49Å; C82-W84 WeakPolarHBondContact SG-CZ2 3.36Å; C82-W84 PolarHBondContact SG-NE1 2.95Å
85	L	87.3	Confident	86.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.5	-178.2	-52.2	-179.6	0	0	0	109.9	L34 T45 A72 L74 Q83 F87 L104	L34-L85 HydrophobicContact CB-CD1 4.03Å; L34-L85 HydrophobicContact CD2-CD1 4.21Å; T45-L85 HydrophobicContact CG2-CD2 3.71Å; A72-L85 HydrophobicContact CB-CB 4.26Å; A72-L85 HydrophobicContact CB-CD1 4.36Å; A72-L85 PolarHBondContact N-O 2.78Å; A72-L85 WeakPolarHBondContact O-CA 3.4Å; A72-L85 PolarHBondContact O-N 3.46Å; A72-L85 VanDerWaalsContact O-O 3.1Å; L74-L85 HydrophobicContact CD1-CD1 4.15Å; L74-L85 HydrophobicContact CD1-CD2 4.49Å; L74-L85 HydrophobicContact CG-CD1 4.01Å; Q83-L85 HydrophobicContact CG-CD2 4.06Å; L85-F87 HydrophobicContact CB-CD1 4.37Å; L85-F87 HydrophobicContact CB-CE1 4.23Å; L85-F87 HydrophobicContact CB-CZ 4.34Å; L85-F87 HydrophobicContact CD1-CE2 4.12Å; L85-F87 HydrophobicContact CD1-CZ 4.17Å; L85-F87 HydrophobicContact CD2-CE1 4.18Å; L85-F87 HydrophobicContact CD2-CZ 3.95Å; L85-F87 HydrophobicContact CG-CZ 4.38Å; L85-L104 HydrophobicContact CD1-CD1 4.39Å
86	S	83.7	Confident	86.2	Confident	24 Å²	24	59.7 Å²	59.7	17%	0.168	30%	0.301	C	S	.	.	S	Bend	trans	-81.1	-1.1	172.9	53	0	0	0	0	113.6	L44 R71	L44-S86 PolarHBondContact N-OG 3.14Å; L44-S86 WeakPolarHBondContact O-CB 3.39Å; L44-S86 PolarHBondContact O-N 2.82Å; L44-S86 PolarHBondContact O-OG 2.86Å; R71-S86 VanDerWaalsContact CD-O 3.31Å; R71-S86 WeakPolarHBondContact CD-O 3.28Å
87	F	85.5	Confident	86	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.035	32%	0.32	C	S	.	.			trans	-129.3	162.2	-175.3	55.8	-88.9	0	0	0	111.7	L34 V36 H43 T45 A72 L85 S91 A94	L34-F87 HydrophobicContact CB-CE2 4.45Å; L34-F87 HydrophobicContact CD2-CD2 3.65Å; L34-F87 HydrophobicContact CD2-CE2 3.74Å; L34-F87 HydrophobicContact CG-CD2 4.17Å; L34-F87 HydrophobicContact CG-CE2 3.83Å; V36-F87 HydrophobicContact CG2-CD1 4.19Å; V36-F87 HydrophobicContact CG2-CD2 3.77Å; V36-F87 HydrophobicContact CG2-CE1 3.97Å; V36-F87 HydrophobicContact CG2-CE2 3.53Å; V36-F87 HydrophobicContact CG2-CG 4.11Å; V36-F87 HydrophobicContact CG2-CZ 3.64Å; H43-F87 HydrophobicContact CB-CD1 4.01Å; H43-F87 HydrophobicContact CB-CE1 4.26Å; H43-F87 AromaticContact ND1-CD1 3.6Å; H43-F87 AromaticContact ND1-CG 3.83Å; T45-F87 HydrophobicContact CG2-CE1 4.04Å; A72-F87 WeakPolarHBondContact CB-O 3.27Å; L85-F87 HydrophobicContact CB-CD1 4.37Å; L85-F87 HydrophobicContact CB-CE1 4.23Å; L85-F87 HydrophobicContact CB-CZ 4.34Å; L85-F87 HydrophobicContact CD1-CE2 4.12Å; L85-F87 HydrophobicContact CD1-CZ 4.17Å; L85-F87 HydrophobicContact CD2-CE1 4.18Å; L85-F87 HydrophobicContact CD2-CZ 3.95Å; L85-F87 HydrophobicContact CG-CZ 4.38Å; F87-S91 WeakPolarHBondContact CB-OG 3.46Å; F87-A94 HydrophobicContact CD2-CB 4.36Å
88	D	87.3	Confident	86.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.341	C	S	.	.			trans	-124.9	176.8	177.6	55.5	61.9	0	0	0	110.1	R71 N90 S91 A94 I111 R125	R71-D88 HydrophobicContact CB-CB 4.31Å; R71-D88 WeakPolarHBondContact CD-OD2 3.29Å; R71-D88 IonicContact CZ-OD2 3.27Å; R71-D88 IonicContact NE-OD2 2.98Å; R71-D88 IonicContact NH1-OD2 2.67Å; R71-D88 PolarHBondContact NH1-OD2 2.66Å; D88-N90 PolarHBondContact O-N 2.97Å; D88-N90 VanDerWaalsContact O-N 3.14Å; D88-N90 WeakPolarHBondContact OD1-CA 3.32Å; D88-N90 VanDerWaalsContact OD1-CB 3.31Å; D88-N90 WeakPolarHBondContact OD1-CB 3.38Å; D88-N90 PolarHBondContact OD1-N 2.94Å; D88-S91 PolarHBondContact N-OG 2.83Å; D88-S91 VanDerWaalsContact O-CB 3.27Å; D88-S91 WeakPolarHBondContact O-CB 3.09Å; D88-S91 PolarHBondContact O-N 3.21Å; D88-S91 PolarHBondContact OD1-N 3.48Å; D88-A94 WeakPolarHBondContact O-CB 3.49Å; D88-I111 HydrophobicContact CB-CG2 4.13Å; D88-R125 IonicContact OD1-CZ 3.48Å; D88-R125 IonicContact OD1-NH2 3.96Å; D88-R125 PolarHBondContact OD1-NH2 3.08Å; D88-R125 IonicContact OD2-NH2 2.95Å; D88-R125 PolarHBondContact OD2-NH2 2.85Å
89	R	89.1	Confident	86.3	Confident	106 Å²	106	61.4 Å²	61.4	40%	0.4	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.8	178.4	64.4	171.6	61.3	169.5	5.9	115.1	S29 L34 S91 Q106 I111	S29-R89 PolarHBondContact OG-NH2 3.29Å; L34-R89 HydrophobicContact CD1-CB 4.41Å; R89-S91 VanDerWaalsContact C-N 3.34Å; R89-Q106 VanDerWaalsContact CZ-NE2 3.32Å; R89-Q106 VanDerWaalsContact NH2-NE2 3.17Å; R89-I111 HydrophobicContact CG-CG2 4.41Å
90	N	87.3	Confident	86.2	Confident	70 Å²	70	62.7 Å²	62.7	37%	0.374	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5	-179.5	-61.3	-24.7	0	0	0	111.1	D88 R125	D88-N90 PolarHBondContact O-N 2.97Å; D88-N90 VanDerWaalsContact O-N 3.14Å; D88-N90 WeakPolarHBondContact OD1-CA 3.32Å; D88-N90 VanDerWaalsContact OD1-CB 3.31Å; D88-N90 WeakPolarHBondContact OD1-CB 3.38Å; D88-N90 PolarHBondContact OD1-N 2.94Å; N90-R125 VanDerWaalsContact C-CZ 3.41Å; N90-R125 PolarHBondContact O-NH1 3.19Å; N90-R125 PolarHBondContact O-NH2 3.05Å
91	S	86.3	Confident	86.1	Confident	13 Å²	13	60.2 Å²	60.2	9%	0.091	32%	0.321	C	S	.	.	S	Bend	trans	-67.6	142.9	178.5	-72.3	0	0	0	0	111.6	F87 D88 R89 G93 A94 R125	F87-S91 WeakPolarHBondContact CB-OG 3.46Å; D88-S91 PolarHBondContact N-OG 2.83Å; D88-S91 VanDerWaalsContact O-CB 3.27Å; D88-S91 WeakPolarHBondContact O-CB 3.09Å; D88-S91 PolarHBondContact O-N 3.21Å; D88-S91 PolarHBondContact OD1-N 3.48Å; R89-S91 VanDerWaalsContact C-N 3.34Å; S91-G93 PolarHBondContact O-N 2.93Å; S91-A94 VanDerWaalsContact O-CB 3.26Å; S91-A94 WeakPolarHBondContact O-CB 3.42Å; S91-A94 PolarHBondContact O-N 3.31Å; S91-A94 VanDerWaalsContact O-N 3.11Å; S91-R125 PolarHBondContact OG-NH2 2.79Å; S91-R125 VanDerWaalsContact OG-NH2 3.15Å
92	P	83.1	Confident	85.9	Confident	101 Å²	101	58.6 Å²	58.6	66%	0.656	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	133.5	176.2	-24.7	34.4	0	0	0	111.4	A94	P92-A94 PolarHBondContact O-N 3.46Å
93	G	80.3	Confident	86	Confident	47 Å²	47	59.5 Å²	59.5	49%	0.485	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	0.4	179	0	0	0	0	0	116	V36 V37 S91	V36-G93 WeakPolarHBondContact CA-O 3.48Å; V36-G93 WeakPolarHBondContact CG1-O 3.41Å; V37-G93 PolarHBondContact N-O 2.82Å; S91-G93 PolarHBondContact O-N 2.93Å
94	A	85.3	Confident	86.2	Confident	19 Å²	19	57.6 Å²	57.6	16%	0.157	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.2	176.3	0	0	0	0	0	111.1	L34 A35 F87 D88 S91 P92	L34-A94 HydrophobicContact CD1-CB 4.37Å; A35-A94 WeakPolarHBondContact O-CA 3.45Å; F87-A94 HydrophobicContact CD2-CB 4.36Å; D88-A94 WeakPolarHBondContact O-CB 3.49Å; S91-A94 VanDerWaalsContact O-CB 3.26Å; S91-A94 WeakPolarHBondContact O-CB 3.42Å; S91-A94 PolarHBondContact O-N 3.31Å; S91-A94 VanDerWaalsContact O-N 3.11Å; P92-A94 PolarHBondContact O-N 3.46Å
95	Q	84.9	Confident	86.4	Confident	96 Å²	96	57.7 Å²	57.7	45%	0.449	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.9	176.6	-67.3	-173.9	-10.6	0	0	110.3	A35 V37	A35-Q95 PolarHBondContact N-O 3.08Å; A35-Q95 PolarHBondContact O-N 3.29Å; V37-Q95 VanDerWaalsContact CG2-CD 3.4Å; V37-Q95 HydrophobicContact CG2-CG 4.04Å
96	S	85.7	Confident	86.7	Confident	84 Å²	84	57.7 Å²	57.7	59%	0.587	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.4	173.3	56.2	0	0	0	0	110
97	H	85.8	Confident	87	Confident	91 Å²	91	57.9 Å²	57.9	42%	0.421	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.8	175.1	-57.8	-86.8	0	0	0	109.5	R33 N99	R33-H97 PolarHBondContact N-O 3.34Å; R33-H97 PolarHBondContact O-N 2.6Å; H97-N99 PolarHBondContact O-N 2.83Å
98	Q	87.5	Confident	87.2	Confident	192 Å²	192	57.7 Å²	57.7	90%	0.897	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	129.6	169.5	-74.1	-160.6	-15.4	0	0	110.1	G31	G31-Q98 CarbonylContact O-C 3.51Å; G31-Q98 WeakPolarHBondContact O-CA 3.28Å
99	N	84.3	Confident	87.2	Confident	37 Å²	37	60.2 Å²	60.2	20%	0.198	32%	0.32	C	S	.	.			trans	-154.5	104.6	179.3	-168.3	-49.5	0	0	0	109.8	G31 R33 H97 Y101 Y102	G31-N99 CarbonylContact C-O 3.52Å; G31-N99 WeakPolarHBondContact CA-O 3.43Å; G31-N99 CarbonylContact O-C 3.57Å; G31-N99 PolarHBondContact O-N 3.26Å; R33-N99 HydrophobicContact CB-CB 3.71Å; H97-N99 PolarHBondContact O-N 2.83Å; N99-Y101 PolarHBondContact O-N 3.45Å; N99-Y101 VanDerWaalsContact OD1-CB 3.32Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.32Å; N99-Y101 VanDerWaalsContact OD1-CD2 3.28Å; N99-Y101 WeakPolarHBondContact OD1-CD2 3.39Å; N99-Y101 PolarHBondContact OD1-N 2.92Å; N99-Y102 PolarHBondContact O-N 3.35Å; N99-Y102 VanDerWaalsContact O-N 3.13Å
100	V	82.9	Confident	87.1	Confident	129 Å²	129	56 Å²	56	78%	0.782	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.2	-176.1	-168.8	0	0	0	0	113.2
101	Y	83.8	Confident	87.2	Confident	127 Å²	127	53.6 Å²	53.6	50%	0.498	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.8	-179.2	-55.8	-70.2	0	0	0	114.1	N99	N99-Y101 PolarHBondContact O-N 3.45Å; N99-Y101 VanDerWaalsContact OD1-CB 3.32Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.32Å; N99-Y101 VanDerWaalsContact OD1-CD2 3.28Å; N99-Y101 WeakPolarHBondContact OD1-CD2 3.39Å; N99-Y101 PolarHBondContact OD1-N 2.92Å
102	Y	86.6	Confident	87.3	Confident	46 Å²	46	54.4 Å²	54.4	18%	0.18	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.8	-174.2	-67.3	-79.9	0	0	0	111.9	G31 T32 L74 D76 N99	G31-Y102 CarbonylContact C-O 3.26Å; G31-Y102 VanDerWaalsContact CA-O 3.27Å; G31-Y102 WeakPolarHBondContact CA-O 3.4Å; G31-Y102 PolarHBondContact N-O 2.75Å; T32-Y102 PolarHBondContact N-O 3.48Å; L74-Y102 HydrophobicContact CB-CD1 4.11Å; D76-Y102 HydrophobicContact CB-CD1 4Å; D76-Y102 HydrophobicContact CB-CE1 3.7Å; N99-Y102 PolarHBondContact O-N 3.35Å; N99-Y102 VanDerWaalsContact O-N 3.13Å
103	D	91.9	Very high	87.6	Confident	18 Å²	18	57.1 Å²	57.1	10%	0.096	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.8	164	-76.3	-6.9	0	0	0	109.5	K28 E30 G31 L74 Y75 H77 Y105	K28-D103 WeakPolarHBondContact CE-OD2 3.44Å; K28-D103 IonicContact NZ-OD2 2.74Å; K28-D103 PolarHBondContact NZ-OD2 3.13Å; E30-D103 WeakPolarHBondContact CA-OD1 3.49Å; G31-D103 PolarHBondContact N-OD1 3.18Å; L74-D103 WeakPolarHBondContact CA-O 2.99Å; Y75-D103 PolarHBondContact N-O 2.94Å; Y75-D103 PolarHBondContact O-N 3.1Å; H77-D103 IonicContact CD2-OD2 2.82Å; H77-D103 IonicContact NE2-OD2 3.78Å; H77-D103 PolarHBondContact NE2-OD2 3.48Å; H77-D103 VanDerWaalsContact NE2-OD2 3.14Å; D103-Y105 HydrophobicContact CB-CD2 4.35Å; D103-Y105 HydrophobicContact CB-CE2 3.58Å
104	L	93.3	Very high	88.2	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.6	177.6	175.1	66.2	0	0	0	110.2	K28 S29 T32 L34 A72 L74 L85 Q106	K28-L104 CarbonylContact C-O 3.59Å; K28-L104 WeakPolarHBondContact CA-O 3.36Å; S29-L104 PolarHBondContact N-O 3.19Å; S29-L104 PolarHBondContact O-N 3.48Å; T32-L104 HydrophobicContact CG2-CB 4.34Å; T32-L104 HydrophobicContact CG2-CD2 4.01Å; T32-L104 WeakPolarHBondContact O-CB 3.33Å; T32-L104 PolarHBondContact O-N 3.4Å; L34-L104 HydrophobicContact CB-CD1 3.91Å; L34-L104 HydrophobicContact CB-CD2 4.03Å; A72-L104 HydrophobicContact CB-CD1 4.27Å; L74-L104 HydrophobicContact CD2-CB 3.92Å; L74-L104 HydrophobicContact CD2-CD1 3.72Å; L74-L104 HydrophobicContact CD2-CG 4.41Å; L74-L104 HydrophobicContact CG-CD1 4.37Å; L85-L104 HydrophobicContact CD1-CD1 4.39Å; L104-Q106 HydrophobicContact CD1-CG 3.98Å; L104-Q106 HydrophobicContact CD2-CG 3.96Å; L104-Q106 HydrophobicContact CG-CG 3.77Å
105	Y	93.3	Very high	88.6	Confident	3 Å²	3	54.6 Å²	54.6	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.9	175.2	-65.9	-97.8	0	0	0	109	L23 Q27 K28 L52 A72 F73 D103	L23-Y105 HydrophobicContact CD2-CD1 4.14Å; L23-Y105 HydrophobicContact CD2-CE1 4.09Å; Q27-Y105 WeakPolarHBondContact O-CA 3.26Å; K28-Y105 HydrophobicContact CB-CD1 4.25Å; K28-Y105 HydrophobicContact CB-CE1 4.04Å; K28-Y105 HydrophobicContact CD-CE1 4.09Å; K28-Y105 WeakPolarHBondContact CE-OH 3.44Å; K28-Y105 HydrophobicContact CG-CD1 4.31Å; K28-Y105 HydrophobicContact CG-CE1 3.78Å; L52-Y105 HydrophobicContact CD1-CD2 4.29Å; L52-Y105 HydrophobicContact CD1-CE1 4.2Å; L52-Y105 HydrophobicContact CD1-CE2 3.73Å; A72-Y105 CarbonylContact C-O 3.56Å; A72-Y105 VanDerWaalsContact CA-O 3.22Å; A72-Y105 WeakPolarHBondContact CA-O 3.22Å; A72-Y105 WeakPolarHBondContact CB-O 3.36Å; F73-Y105 AromaticContact CD2-CD2 3.99Å; F73-Y105 HydrophobicContact CD2-CD2 3.99Å; F73-Y105 HydrophobicContact CD2-CG 4.27Å; F73-Y105 VanDerWaalsContact CE1-CB 3.44Å; F73-Y105 HydrophobicContact CE1-CG 4.11Å; F73-Y105 HydrophobicContact CE2-CD1 4.35Å; F73-Y105 AromaticContact CE2-CD2 3.33Å; F73-Y105 HydrophobicContact CE2-CD2 3.33Å; F73-Y105 HydrophobicContact CE2-CE2 4.1Å; F73-Y105 AromaticContact CE2-CG 3.49Å; F73-Y105 HydrophobicContact CE2-CG 3.49Å; F73-Y105 VanDerWaalsContact CE2-CG 3.49Å; F73-Y105 AromaticContact CZ-CD1 3.96Å; F73-Y105 HydrophobicContact CZ-CD1 3.96Å; F73-Y105 AromaticContact CZ-CD2 3.78Å; F73-Y105 HydrophobicContact CZ-CD2 3.78Å; F73-Y105 AromaticContact CZ-CG 3.39Å; F73-Y105 HydrophobicContact CZ-CG 3.39Å; F73-Y105 PolarHBondContact N-O 3.28Å; F73-Y105 PolarHBondContact O-N 2.92Å; D103-Y105 HydrophobicContact CB-CD2 4.35Å; D103-Y105 HydrophobicContact CB-CE2 3.58Å
106	Q	92.3	Very high	88.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.7	-178.2	-56	-177.6	123	0	0	110.5	Y26 Q27 A72 R89 L104 K108 I111	Y26-Q106 CarbonylContact C-O 3.52Å; Y26-Q106 VanDerWaalsContact CA-O 3.22Å; Y26-Q106 WeakPolarHBondContact CA-O 3.2Å; Q27-Q106 PolarHBondContact N-O 3.35Å; Q27-Q106 PolarHBondContact O-N 3.06Å; A72-Q106 HydrophobicContact CB-CB 4.31Å; A72-Q106 HydrophobicContact CB-CG 3.92Å; R89-Q106 VanDerWaalsContact CZ-NE2 3.32Å; R89-Q106 VanDerWaalsContact NH2-NE2 3.17Å; L104-Q106 HydrophobicContact CD1-CG 3.98Å; L104-Q106 HydrophobicContact CD2-CG 3.96Å; L104-Q106 HydrophobicContact CG-CG 3.77Å; Q106-K108 PolarHBondContact O-N 2.57Å; Q106-I111 HydrophobicContact CB-CD1 3.64Å; Q106-I111 HydrophobicContact CB-CG2 4.22Å
107	K	90.1	Very high	89.1	Confident	28 Å²	28	50.3 Å²	50.3	12%	0.122	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	126.6	178.7	-77.9	-148.6	-163.2	176.2	0	111	D25 Y26 S70 R71 D109 Y110 I111	D25-K107 WeakPolarHBondContact O-CA 3.18Å; Y26-K107 HydrophobicContact CD1-CG 3.88Å; Y26-K107 HydrophobicContact CE1-CB 4.42Å; Y26-K107 HydrophobicContact CE1-CD 4.42Å; Y26-K107 HydrophobicContact CE1-CG 3.36Å; Y26-K107 HydrophobicContact CE2-CG 4.46Å; Y26-K107 VanDerWaalsContact OH-CE 3.31Å; Y26-K107 WeakPolarHBondContact OH-CE 2.99Å; S70-K107 WeakPolarHBondContact O-CD 3.03Å; S70-K107 VanDerWaalsContact O-CE 3.24Å; S70-K107 WeakPolarHBondContact O-CE 2.93Å; S70-K107 WeakPolarHBondContact O-CG 3.38Å; R71-K107 PolarHBondContact O-N 3.21Å; K107-D109 VanDerWaalsContact C-N 3.32Å; K107-D109 PolarHBondContact O-N 3.06Å; K107-Y110 HydrophobicContact CB-CD2 3.82Å; K107-Y110 HydrophobicContact CD-CD2 4.42Å; K107-Y110 HydrophobicContact CD-CE2 4.35Å; K107-Y110 PolarHBondContact O-N 3.07Å; K107-I111 WeakPolarHBondContact O-CG1 3.5Å
108	K	90.4	Very high	89.3	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-42.4	-179.4	-75.9	159.4	163.5	-167.3	0	112.8	Q24 D25 Q27 Q106 Y110 I111 R112 D212 N246	Q24-K108 WeakPolarHBondContact O-CD 3.48Å; Q24-K108 WeakPolarHBondContact O-CE 3.29Å; Q24-K108 PolarHBondContact O-NZ 2.93Å; D25-K108 PolarHBondContact O-N 2.98Å; Q27-K108 HydrophobicContact CB-CG 4.23Å; Q106-K108 PolarHBondContact O-N 2.57Å; K108-Y110 PolarHBondContact O-N 2.9Å; K108-I111 PolarHBondContact O-N 3.4Å; K108-I111 VanDerWaalsContact O-N 3.13Å; K108-R112 HydrophobicContact CB-CG 4.25Å; K108-R112 VanDerWaalsContact O-CB 3.29Å; K108-R112 WeakPolarHBondContact O-CB 2.97Å; K108-R112 VanDerWaalsContact O-CG 3.3Å; K108-R112 WeakPolarHBondContact O-CG 3.31Å; K108-R112 PolarHBondContact O-N 2.88Å; K108-D212 IonicContact NZ-OD2 3.53Å; K108-D212 PolarHBondContact NZ-OD2 3.36Å; K108-N246 PolarHBondContact NZ-OD1 2.77Å
109	D	87.5	Confident	89.4	Confident	53 Å²	53	38.7 Å²	38.7	28%	0.283	20%	0.203	S	C	.	.	H	α-helix	trans	-54.8	-29.5	179.8	-67.5	-23.1	0	0	0	114	K107 S121 R123 G124	K107-D109 VanDerWaalsContact C-N 3.32Å; K107-D109 PolarHBondContact O-N 3.06Å; D109-S121 WeakPolarHBondContact CB-O 3.31Å; D109-S121 VanDerWaalsContact CG-O 3.24Å; D109-S121 PolarHBondContact OD1-OG 3.31Å; D109-R123 HydrophobicContact CB-CB 4.19Å; D109-R123 HydrophobicContact CB-CG 4.03Å; D109-R123 CarbonylContact O-C 3.46Å; D109-R123 VanDerWaalsContact O-C 3.22Å; D109-R123 VanDerWaalsContact O-CA 3.24Å; D109-R123 WeakPolarHBondContact O-CA 3.28Å; D109-R123 WeakPolarHBondContact O-CB 3.44Å; D109-R123 PolarHBondContact O-N 2.85Å; D109-G124 PolarHBondContact O-N 2.89Å
110	Y	87.2	Confident	89.6	Confident	18 Å²	18	42 Å²	42	7%	0.071	22%	0.217	C	C	.	.	H	α-helix	trans	-93.1	-20.6	-176.7	-73.3	-87.8	0	0	0	113.9	S70 R71 K107 K108 R123	S70-Y110 WeakPolarHBondContact O-CD2 3.09Å; S70-Y110 WeakPolarHBondContact O-CE2 3.23Å; R71-Y110 HydrophobicContact CG-CD1 4.13Å; R71-Y110 HydrophobicContact CG-CE1 4.25Å; R71-Y110 HydrophobicContact CG-CG 4.27Å; K107-Y110 HydrophobicContact CB-CD2 3.82Å; K107-Y110 HydrophobicContact CD-CD2 4.42Å; K107-Y110 HydrophobicContact CD-CE2 4.35Å; K107-Y110 PolarHBondContact O-N 3.07Å; K108-Y110 PolarHBondContact O-N 2.9Å; Y110-R123 HydrophobicContact CD1-CB 3.65Å; Y110-R123 HydrophobicContact CD2-CB 4.11Å; Y110-R123 HydrophobicContact CE1-CB 3.61Å; Y110-R123 HydrophobicContact CE1-CG 4.16Å; Y110-R123 HydrophobicContact CE2-CB 4.08Å; Y110-R123 HydrophobicContact CE2-CG 4.08Å; Y110-R123 HydrophobicContact CG-CB 3.91Å
111	I	88.8	Confident	89.8	Confident	18 Å²	18	38.7 Å²	38.7	9%	0.092	20%	0.201	C	C	.	.	H	α-helix	trans	-114.6	-18.1	-172	67.7	-167.2	0	0	0	113	Q27 D88 R89 Q106 K107 K108	Q27-I111 HydrophobicContact CB-CD1 3.67Å; Q27-I111 HydrophobicContact CG-CD1 4.44Å; D88-I111 HydrophobicContact CB-CG2 4.13Å; R89-I111 HydrophobicContact CG-CG2 4.41Å; Q106-I111 HydrophobicContact CB-CD1 3.64Å; Q106-I111 HydrophobicContact CB-CG2 4.22Å; K107-I111 WeakPolarHBondContact O-CG1 3.5Å; K108-I111 PolarHBondContact O-N 3.4Å; K108-I111 VanDerWaalsContact O-N 3.13Å
112	R	88.3	Confident	90.1	Very high	30 Å²	30	33.3 Å²	33.3	11%	0.113	18%	0.179	C	C	.	.			trans	-75.5	144.7	175.9	-74.5	-178.8	177.4	173	-1.2	110.9	K108 D212 Y247	K108-R112 HydrophobicContact CB-CG 4.25Å; K108-R112 VanDerWaalsContact O-CB 3.29Å; K108-R112 WeakPolarHBondContact O-CB 2.97Å; K108-R112 VanDerWaalsContact O-CG 3.3Å; K108-R112 WeakPolarHBondContact O-CG 3.31Å; K108-R112 PolarHBondContact O-N 2.88Å; R112-D212 IonicContact CZ-OD1 3.68Å; R112-D212 IonicContact CZ-OD2 3.89Å; R112-D212 VanDerWaalsContact CZ-OD2 3.27Å; R112-D212 VanDerWaalsContact NH1-CG 3.29Å; R112-D212 IonicContact NH1-OD1 3.14Å; R112-D212 PolarHBondContact NH1-OD1 2.63Å; R112-D212 IonicContact NH1-OD2 3.53Å; R112-D212 PolarHBondContact NH1-OD2 3.4Å; R112-D212 IonicContact NH2-OD1 3.56Å; R112-D212 IonicContact NH2-OD2 2.8Å; R112-D212 PolarHBondContact NH2-OD2 3.15Å; R112-Y247 PolarHBondContact NH2-OH 2.03Å
113	E	89.5	Confident	90.2	Very high	158 Å²	158	33.2 Å²	33.2	74%	0.738	18%	0.179	S	C	*	.	S	Bend	trans	-103	15.2	175.6	-58.6	-171	163.1	0	0	112.2	I191	E113-I191 WeakPolarHBondContact O-CG2 3.37Å
114	C	93.4	Very high	90.1	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.047	18%	0.176	C	C	.	.			trans	-134.3	164.7	-179.4	66.2	0	0	0	0	111.7	P192 C194 V197	C114-P192 VanDerWaalsContact CA-O 3.26Å; C114-P192 WeakPolarHBondContact CA-O 3.27Å; C114-P192 WeakPolarHBondContact CB-O 3.43Å; C114-C194 VanDerWaalsContact C-SG 3.52Å; C114-C194 HydrophobicContact CB-CB 3.96Å; C114-C194 WeakPolarHBondContact CB-SG 3.02Å; C114-C194 WeakPolarHBondContact SG-CA 3.45Å; C114-C194 WeakPolarHBondContact SG-CB 3.26Å; C114-C194 CovalentContact SG-SG 2.05Å; C114-C194 PolarHBondContact SG-SG 3.42Å; C114-V197 HydrophobicContact CB-CG2 3.36Å
115	I	93.3	Very high	89.9	Confident	7 Å²	7	35.6 Å²	35.6	4%	0.036	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-116.4	157	177.7	59.2	174.2	0	0	0	112	Y122 P173 I191 P192 Q193 C194	I115-Y122 HydrophobicContact CG2-CD2 3.73Å; I115-Y122 HydrophobicContact CG2-CG 3.91Å; I115-P173 HydrophobicContact CG2-CG 3.93Å; I115-I191 HydrophobicContact CG2-CB 4.37Å; I115-I191 HydrophobicContact CG2-CG2 3.79Å; I115-P192 PolarHBondContact N-O 3.34Å; I115-Q193 CarbonylContact O-C 3.07Å; I115-Q193 VanDerWaalsContact O-CA 3.32Å; I115-Q193 WeakPolarHBondContact O-CA 3.34Å; I115-Q193 PolarHBondContact O-OE1 2.94Å; I115-C194 PolarHBondContact O-N 3.32Å; I115-C194 PolarHBondContact O-SG 2.8Å; I115-C194 VanDerWaalsContact O-SG 3.41Å
116	V	90.8	Very high	89.8	Confident	43 Å²	43	41.5 Å²	41.5	26%	0.261	21%	0.209	S	C	.	.	S	Bend	trans	-117.1	131.9	166.2	179.9	0	0	0	0	107.8	T118 G119 C194 Y213	V116-T118 PolarHBondContact O-N 3.45Å; V116-G119 PolarHBondContact O-N 2.75Å; V116-C194 HydrophobicContact CG2-CB 4.1Å; V116-Y213 HydrophobicContact CB-CD2 4.14Å; V116-Y213 HydrophobicContact CB-CE2 4.19Å; V116-Y213 HydrophobicContact CG1-CD1 4.39Å; V116-Y213 HydrophobicContact CG1-CD2 3.55Å; V116-Y213 HydrophobicContact CG1-CE2 3.91Å; V116-Y213 HydrophobicContact CG1-CG 3.81Å; V116-Y213 HydrophobicContact CG2-CD2 3.83Å; V116-Y213 HydrophobicContact CG2-CE2 4.03Å
117	G	89.8	Confident	89.9	Confident	46 Å²	46	43 Å²	43	47%	0.474	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-129.6	-177.1	0	0	0	0	0	111	G119 Q193	G117-G119 VanDerWaalsContact C-N 3.27Å; G117-G119 PolarHBondContact O-N 3.02Å; G117-Q193 PolarHBondContact O-NE2 2.73Å
118	T	91.4	Very high	90.2	Very high	38 Å²	38	43.7 Å²	43.7	23%	0.233	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.5	179.8	62.5	0	0	0	0	113.5	V116 Q120 N165 N168 G172	V116-T118 PolarHBondContact O-N 3.45Å; T118-Q120 VanDerWaalsContact C-N 3.28Å; T118-Q120 PolarHBondContact O-N 3.06Å; T118-N165 PolarHBondContact O-ND2 2.75Å; T118-N168 WeakPolarHBondContact CB-OD1 3.17Å; T118-N168 PolarHBondContact OG1-OD1 3.46Å; T118-G172 WeakPolarHBondContact O-CA 3.41Å
119	G	89.3	Confident	90.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	23%	0.226	C	C	.	.			trans	68.6	23.4	-176.1	0	0	0	0	0	114.2	V116 G117 S121 Y122	V116-G119 PolarHBondContact O-N 2.75Å; G117-G119 VanDerWaalsContact C-N 3.27Å; G117-G119 PolarHBondContact O-N 3.02Å; G119-S121 PolarHBondContact O-N 2.83Å; G119-Y122 WeakPolarHBondContact O-CB 3.35Å; G119-Y122 PolarHBondContact O-N 3.01Å
120	Q	88.3	Confident	90.8	Very high	106 Å²	106	44.8 Å²	44.8	50%	0.495	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.3	177	-167.3	-177.8	50.9	0	0	112.9	T118 Y122 R123	T118-Q120 VanDerWaalsContact C-N 3.28Å; T118-Q120 PolarHBondContact O-N 3.06Å; Q120-Y122 VanDerWaalsContact C-N 3.35Å; Q120-R123 PolarHBondContact O-NH1 2.86Å
121	S	87	Confident	91.1	Very high	61 Å²	61	47 Å²	47	43%	0.427	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.1	175.7	65.3	0	0	0	0	114	D109 G119 R123	D109-S121 WeakPolarHBondContact CB-O 3.31Å; D109-S121 VanDerWaalsContact CG-O 3.24Å; D109-S121 PolarHBondContact OD1-OG 3.31Å; G119-S121 PolarHBondContact O-N 2.83Å; S121-R123 VanDerWaalsContact C-NH1 3.28Å; S121-R123 WeakPolarHBondContact O-CG 3.29Å; S121-R123 PolarHBondContact O-N 3.05Å; S121-R123 PolarHBondContact O-NH1 3.01Å
122	Y	89.4	Confident	91.3	Very high	13 Å²	13	48.8 Å²	48.8	5%	0.051	28%	0.276	C	S	.	.			trans	-62.8	128.5	-177.3	179.3	-100.7	0	0	0	111.9	I115 G119 Q120 G124 R164 P173 I191	I115-Y122 HydrophobicContact CG2-CD2 3.73Å; I115-Y122 HydrophobicContact CG2-CG 3.91Å; G119-Y122 WeakPolarHBondContact O-CB 3.35Å; G119-Y122 PolarHBondContact O-N 3.01Å; Q120-Y122 VanDerWaalsContact C-N 3.35Å; Y122-G124 VanDerWaalsContact CZ-CA 3.44Å; Y122-G124 WeakPolarHBondContact OH-CA 3.35Å; Y122-R164 WeakPolarHBondContact O-CD 3.14Å; Y122-P173 HydrophobicContact CD1-CB 4.41Å; Y122-P173 HydrophobicContact CD1-CG 4.17Å; Y122-P173 HydrophobicContact CG-CG 4.33Å; Y122-I191 HydrophobicContact CD1-CD1 3.93Å; Y122-I191 HydrophobicContact CE1-CD1 3.43Å; Y122-I191 VanDerWaalsContact CE1-CD1 3.43Å; Y122-I191 HydrophobicContact CE2-CD1 4.24Å; Y122-I191 HydrophobicContact CE2-CG2 4.23Å
123	R	88.9	Confident	91.7	Very high	45 Å²	45	48.7 Å²	48.7	17%	0.17	28%	0.278	C	S	.	.			trans	-129.5	17.9	-180	-56	-66.5	177.3	-94.4	3.2	112.8	D109 Y110 Q120 S121 D157 R164	D109-R123 HydrophobicContact CB-CB 4.19Å; D109-R123 HydrophobicContact CB-CG 4.03Å; D109-R123 CarbonylContact O-C 3.46Å; D109-R123 VanDerWaalsContact O-C 3.22Å; D109-R123 VanDerWaalsContact O-CA 3.24Å; D109-R123 WeakPolarHBondContact O-CA 3.28Å; D109-R123 WeakPolarHBondContact O-CB 3.44Å; D109-R123 PolarHBondContact O-N 2.85Å; Y110-R123 HydrophobicContact CD1-CB 3.65Å; Y110-R123 HydrophobicContact CD2-CB 4.11Å; Y110-R123 HydrophobicContact CE1-CB 3.61Å; Y110-R123 HydrophobicContact CE1-CG 4.16Å; Y110-R123 HydrophobicContact CE2-CB 4.08Å; Y110-R123 HydrophobicContact CE2-CG 4.08Å; Y110-R123 HydrophobicContact CG-CB 3.91Å; Q120-R123 PolarHBondContact O-NH1 2.86Å; S121-R123 VanDerWaalsContact C-NH1 3.28Å; S121-R123 WeakPolarHBondContact O-CG 3.29Å; S121-R123 PolarHBondContact O-N 3.05Å; S121-R123 PolarHBondContact O-NH1 3.01Å; R123-D157 VanDerWaalsContact CD-CG 3.49Å; R123-D157 WeakPolarHBondContact CD-OD2 3.42Å; R123-D157 VanDerWaalsContact NE-CB 3.29Å; R123-R164 PolarHBondContact O-NH2 2.96Å
124	G	89.1	Confident	92	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.031	26%	0.264	C	S	.	.			trans	-67.5	-179.6	177.1	0	0	0	0	0	113.3	D109 Y122 R164	D109-G124 PolarHBondContact O-N 2.89Å; Y122-G124 VanDerWaalsContact CZ-CA 3.44Å; Y122-G124 WeakPolarHBondContact OH-CA 3.35Å; G124-R164 PolarHBondContact O-NH1 2.89Å
125	R	90.1	Very high	92.1	Very high	65 Å²	65	45.1 Å²	45.1	25%	0.245	26%	0.263	C	S	.	.			trans	-107.3	14.4	-169.8	-58.4	-172.9	-169.9	-161.4	7.9	114.7	D88 N90 S91 S127 Y162	D88-R125 IonicContact OD1-CZ 3.48Å; D88-R125 IonicContact OD1-NH2 3.96Å; D88-R125 PolarHBondContact OD1-NH2 3.08Å; D88-R125 IonicContact OD2-NH2 2.95Å; D88-R125 PolarHBondContact OD2-NH2 2.85Å; N90-R125 VanDerWaalsContact C-CZ 3.41Å; N90-R125 PolarHBondContact O-NH1 3.19Å; N90-R125 PolarHBondContact O-NH2 3.05Å; S91-R125 PolarHBondContact OG-NH2 2.79Å; S91-R125 VanDerWaalsContact OG-NH2 3.15Å; R125-S127 PolarHBondContact O-N 2.81Å; R125-Y162 HydrophobicContact CB-CD1 4.07Å; R125-Y162 HydrophobicContact CB-CE1 3.82Å; R125-Y162 HydrophobicContact CG-CE1 4.27Å; R125-Y162 HydrophobicContact CG-CE2 4.2Å; R125-Y162 VanDerWaalsContact O-CD1 3.3Å; R125-Y162 WeakPolarHBondContact O-CD1 3.48Å
126	R	92	Very high	92.2	Very high	127 Å²	127	45 Å²	45	48%	0.479	26%	0.262	S	S	.	.			trans	-57.7	124.8	174.5	-169.8	71.5	173.7	-168.3	-1.5	108.8	Y162 C163 C189 I191	R126-Y162 CarbonylContact O-C 3.54Å; R126-Y162 VanDerWaalsContact O-CA 3.28Å; R126-Y162 WeakPolarHBondContact O-CA 3.38Å; R126-C163 PolarHBondContact O-N 3.24Å; R126-C163 PolarHBondContact O-SG 2.84Å; R126-C189 HydrophobicContact CG-CB 4.2Å; R126-I191 HydrophobicContact CB-CD1 4.21Å; R126-I191 HydrophobicContact CB-CG1 4.33Å; R126-I191 HydrophobicContact CG-CD1 4.44Å; R126-I191 HydrophobicContact CG-CG1 4.14Å
127	S	94.4	Very high	92.2	Very high	31 Å²	31	44.7 Å²	44.7	22%	0.217	26%	0.264	C	S	.	.			trans	-128.4	18.4	-176.2	55.1	0	0	0	0	112.6	R125 C135 N161	R125-S127 PolarHBondContact O-N 2.81Å; S127-C135 VanDerWaalsContact O-CB 3.29Å; S127-C135 WeakPolarHBondContact O-CB 3.36Å; S127-C135 PolarHBondContact O-N 3.23Å; S127-C135 PolarHBondContact O-SG 2.61Å; S127-N161 WeakPolarHBondContact CB-OD1 3.21Å
128	V	95.5	Very high	92.2	Very high	43 Å²	43	42.8 Å²	42.8	26%	0.261	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-134.4	138.5	-177.1	-176.7	0	0	0	0	108.9	G132 I133 L134	V128-G132 VanDerWaalsContact CG1-CA 3.46Å; V128-G132 WeakPolarHBondContact CG1-O 3.39Å; V128-I133 WeakPolarHBondContact CA-O 3.43Å; V128-L134 HydrophobicContact CG2-CD1 4.43Å
129	T	95.4	Very high	92.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	27%	0.266	C	S	.	.			trans	-73.6	171	179.7	68.5	0	0	0	0	112.3	S131 G132 I133 T177 Q187 E188	T129-S131 PolarHBondContact O-N 2.72Å; T129-S131 PolarHBondContact OG1-N 3.43Å; T129-S131 PolarHBondContact OG1-OG 3.4Å; T129-G132 PolarHBondContact O-N 3.38Å; T129-I133 HydrophobicContact CG2-CB 4.44Å; T129-I133 PolarHBondContact N-O 2.99Å; T129-I133 WeakPolarHBondContact OG1-CB 3.22Å; T129-I133 PolarHBondContact OG1-N 3.42Å; T129-I133 VanDerWaalsContact OG1-N 3.08Å; T129-I133 PolarHBondContact OG1-O 2.9Å; T129-T177 HydrophobicContact CG2-CG2 3.83Å; T129-Q187 HydrophobicContact CG2-CB 3.82Å; T129-Q187 PolarHBondContact OG1-OE1 2.81Å; T129-E188 WeakPolarHBondContact CA-O 3.45Å; T129-E188 WeakPolarHBondContact CB-O 3.47Å
130	V	94.6	Very high	92.1	Very high	79 Å²	79	46.9 Å²	46.9	48%	0.479	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.2	174.6	67.8	0	0	0	0	113	G132 Q187 E188	V130-G132 VanDerWaalsContact C-N 3.34Å; V130-Q187 HydrophobicContact CG1-CG 4.06Å; V130-E188 HydrophobicContact CB-CG 4.3Å; V130-E188 HydrophobicContact CG1-CG 3.84Å; V130-E188 PolarHBondContact N-O 2.76Å
131	S	93.3	Very high	92.1	Very high	65 Å²	65	44.8 Å²	44.8	46%	0.455	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	6.3	177	68.7	0	0	0	0	114.3	T129 I133 Q187	T129-S131 PolarHBondContact O-N 2.72Å; T129-S131 PolarHBondContact OG1-N 3.43Å; T129-S131 PolarHBondContact OG1-OG 3.4Å; S131-I133 VanDerWaalsContact OG-CD1 3.28Å; S131-I133 WeakPolarHBondContact OG-CD1 3.02Å; S131-I133 WeakPolarHBondContact OG-CG1 3.35Å; S131-Q187 PolarHBondContact OG-NE2 3.31Å; S131-Q187 PolarHBondContact OG-OE1 3.25Å
132	G	94.1	Very high	92.1	Very high	55 Å²	55	47.9 Å²	47.9	57%	0.567	28%	0.284	S	S	*	.	S	Bend	trans	84.4	9.2	178.9	0	0	0	0	0	114.9	V128 T129 V130	V128-G132 VanDerWaalsContact CG1-CA 3.46Å; V128-G132 WeakPolarHBondContact CG1-O 3.39Å; T129-G132 PolarHBondContact O-N 3.38Å; V130-G132 VanDerWaalsContact C-N 3.34Å
133	I	95.4	Very high	92.2	Very high	29 Å²	29	49.7 Å²	49.7	15%	0.149	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-83	134.8	-179.5	-53.8	168.4	0	0	0	109.7	V128 T129 S131 T177 D179 L184	V128-I133 WeakPolarHBondContact CA-O 3.43Å; T129-I133 HydrophobicContact CG2-CB 4.44Å; T129-I133 PolarHBondContact N-O 2.99Å; T129-I133 WeakPolarHBondContact OG1-CB 3.22Å; T129-I133 PolarHBondContact OG1-N 3.42Å; T129-I133 VanDerWaalsContact OG1-N 3.08Å; T129-I133 PolarHBondContact OG1-O 2.9Å; S131-I133 VanDerWaalsContact OG-CD1 3.28Å; S131-I133 WeakPolarHBondContact OG-CD1 3.02Å; S131-I133 WeakPolarHBondContact OG-CG1 3.35Å; I133-T177 HydrophobicContact CG2-CG2 4.46Å; I133-D179 HydrophobicContact CD1-CB 4.48Å; I133-D179 HydrophobicContact CG2-CB 4.19Å; I133-L184 HydrophobicContact CD1-CD1 3.94Å; I133-L184 HydrophobicContact CD1-CD2 4.09Å; I133-L184 HydrophobicContact CD1-CG 4.43Å
134	L	96.8	Very high	92.3	Very high	88 Å²	88	48 Å²	48	46%	0.461	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-64.5	139.8	176.4	-174.2	68.5	0	0	0	110.6	V128 T178	V128-L134 HydrophobicContact CG2-CD1 4.43Å; L134-T178 HydrophobicContact CB-CG2 4.2Å; L134-T178 HydrophobicContact CD2-CG2 4.29Å; L134-T178 HydrophobicContact CG-CG2 4.26Å; L134-T178 WeakPolarHBondContact O-CG2 3.34Å; L134-T178 PolarHBondContact O-N 3.36Å; L134-T178 PolarHBondContact O-OG1 2.76Å
135	C	96.3	Very high	92.2	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.014	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-74.9	138.6	175.6	-65.7	0	0	0	0	111.4	S127 N161 C175 F176	S127-C135 VanDerWaalsContact O-CB 3.29Å; S127-C135 WeakPolarHBondContact O-CB 3.36Å; S127-C135 PolarHBondContact O-N 3.23Å; S127-C135 PolarHBondContact O-SG 2.61Å; C135-N161 HydrophobicContact CB-CB 3.85Å; C135-N161 WeakPolarHBondContact CB-O 3.37Å; C135-N161 VanDerWaalsContact O-CB 3.24Å; C135-N161 WeakPolarHBondContact O-CB 3.28Å; C135-N161 PolarHBondContact O-ND2 2.83Å; C135-C175 VanDerWaalsContact CA-SG 3.58Å; C135-C175 HydrophobicContact CB-CB 3.57Å; C135-C175 WeakPolarHBondContact CB-SG 3.13Å; C135-C175 WeakPolarHBondContact SG-CB 3.37Å; C135-C175 CovalentContact SG-SG 2.02Å; C135-C175 PolarHBondContact SG-SG 3.26Å; C135-F176 CarbonylContact C-O 3.52Å; C135-F176 VanDerWaalsContact CA-O 3.32Å; C135-F176 WeakPolarHBondContact CA-O 3.23Å
136	Q	94	Very high	92	Very high	4 Å²	4	53 Å²	53	2%	0.019	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-68.6	139.2	164	170.1	-177.7	-28.9	0	0	109.7	W138 S140 I142 H144 H146 N161 F176	Q136-W138 PolarHBondContact O-N 2.83Å; Q136-S140 PolarHBondContact NE2-O 3.44Å; Q136-I142 VanDerWaalsContact CD-C 3.45Å; Q136-I142 VanDerWaalsContact CG-O 3.31Å; Q136-I142 WeakPolarHBondContact CG-O 3.02Å; Q136-I142 PolarHBondContact OE1-O 3.44Å; Q136-H144 PolarHBondContact NE2-O 3.3Å; Q136-H146 PolarHBondContact NE2-NE2 3.03Å; Q136-N161 WeakPolarHBondContact O-CB 3.36Å; Q136-F176 HydrophobicContact CB-CB 3.95Å; Q136-F176 HydrophobicContact CG-CB 4.4Å; Q136-F176 PolarHBondContact N-O 3.37Å
137	A	92.3	Very high	91.4	Very high	37 Å²	37	55.7 Å²	55.7	31%	0.306	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-62.7	135.7	174.6	0	0	0	0	0	111.1	A139 S140 E160 N161	A137-A139 PolarHBondContact O-N 3.07Å; A137-S140 WeakPolarHBondContact O-CB 3.39Å; A137-S140 PolarHBondContact O-N 3.37Å; A137-E160 CarbonylContact C-O 3.58Å; A137-E160 VanDerWaalsContact CA-O 3.32Å; A137-E160 WeakPolarHBondContact CA-O 3.25Å; A137-N161 HydrophobicContact CB-CB 4.3Å
138	W	89.8	Confident	90.5	Very high	6 Å²	6	55.9 Å²	55.9	2%	0.023	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	179.5	-67.4	102.7	0	0	0	113.8	Q136 H146 F148 M149 L158 E160 Y162 R164 P166 W174 F176	Q136-W138 PolarHBondContact O-N 2.83Å; W138-H146 PolarHBondContact O-CE1 2.93Å; W138-H146 VanDerWaalsContact O-CE1 3.27Å; W138-F148 HydrophobicContact CE3-CB 3.98Å; W138-F148 HydrophobicContact CE3-CG 4.49Å; W138-F148 HydrophobicContact CZ3-CB 4.07Å; W138-F148 HydrophobicContact CZ3-CD2 4.29Å; W138-F148 HydrophobicContact CZ3-CG 4.07Å; W138-M149 VanDerWaalsContact O-CG 3.22Å; W138-M149 WeakPolarHBondContact O-CG 3.4Å; W138-L158 HydrophobicContact CB-CB 3.89Å; W138-L158 HydrophobicContact CD2-CB 4.19Å; W138-L158 HydrophobicContact CD2-CD1 4.39Å; W138-L158 HydrophobicContact CD2-CD2 3.95Å; W138-L158 HydrophobicContact CD2-CG 4.38Å; W138-L158 HydrophobicContact CE3-CD1 4.12Å; W138-L158 HydrophobicContact CE3-CD2 4.19Å; W138-L158 HydrophobicContact CG-CB 3.79Å; W138-L158 HydrophobicContact CG-CD2 4.4Å; W138-L158 HydrophobicContact CG-CG 4.5Å; W138-L158 HydrophobicContact CH2-CD2 4.45Å; W138-L158 HydrophobicContact CZ2-CD2 4.22Å; W138-L158 HydrophobicContact CZ3-CD2 4.42Å; W138-E160 VanDerWaalsContact CD1-O 3.26Å; W138-E160 PolarHBondContact N-O 3.34Å; W138-Y162 PolarHBondContact NE1-O 3.49Å; W138-R164 HydrophobicContact CZ2-CB 3.94Å; W138-P166 HydrophobicContact CH2-CG 4.25Å; W138-P166 HydrophobicContact CZ3-CG 4.47Å; W138-W174 HydrophobicContact CH2-CE3 4.17Å; W138-W174 HydrophobicContact CH2-CH2 4.04Å; W138-W174 HydrophobicContact CH2-CZ2 4.47Å; W138-W174 AromaticContact CH2-CZ3 3.89Å; W138-W174 HydrophobicContact CH2-CZ3 3.89Å; W138-W174 WeakPolarHBondContact CZ2-O 3.24Å; W138-W174 HydrophobicContact CZ3-CH2 4.14Å; W138-W174 HydrophobicContact CZ3-CZ3 4.18Å; W138-F176 HydrophobicContact CE3-CD2 4.2Å; W138-F176 HydrophobicContact CE3-CE2 4.21Å; W138-F176 AromaticContact CZ3-CD2 3.91Å; W138-F176 HydrophobicContact CZ3-CD2 3.91Å; W138-F176 AromaticContact CZ3-CE2 3.7Å; W138-F176 HydrophobicContact CZ3-CE2 3.7Å
139	A	87.8	Confident	89.2	Confident	87 Å²	87	57.9 Å²	57.9	72%	0.719	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.7	174.5	0	0	0	0	0	113.2	A137	A137-A139 PolarHBondContact O-N 3.07Å
140	S	88.9	Confident	87.4	Confident	38 Å²	38	60.3 Å²	60.3	27%	0.266	35%	0.353	S	S	.	.			trans	-89.8	134.4	178.4	-179	0	0	0	0	110.2	Q136 A137 I142 H146 M149	Q136-S140 PolarHBondContact NE2-O 3.44Å; A137-S140 WeakPolarHBondContact O-CB 3.39Å; A137-S140 PolarHBondContact O-N 3.37Å; S140-I142 VanDerWaalsContact C-N 3.31Å; S140-I142 PolarHBondContact OG-N 3.32Å; S140-I142 VanDerWaalsContact OG-N 3.12Å; S140-I142 PolarHBondContact OG-O 2.89Å; S140-H146 PolarHBondContact O-NE2 2.99Å; S140-M149 WeakPolarHBondContact O-CE 3.38Å
141	P	89.1	Confident	85.6	Confident	62 Å²	62	64.5 Å²	64.5	40%	0.403	37%	0.365	S	S	.	.			trans	-83.6	-0.9	167.8	30.8	-29.5	0	0	0	114.1	H144 E145 M149	P141-H144 CarbonylContact O-C 3.53Å; P141-E145 WeakPolarHBondContact O-CA 3.13Å; P141-E145 PolarHBondContact O-N 2.02Å; P141-M149 HydrophobicContact CB-CE 3.83Å
142	I	87.3	Confident	84	Confident	125 Å²	125	71.5 Å²	71.5	64%	0.641	38%	0.381	S	S	*	.	S	Bend	trans	-122.3	137.3	-171.4	-57.8	172.2	0	0	0	109.9	Q136 S140	Q136-I142 VanDerWaalsContact CD-C 3.45Å; Q136-I142 VanDerWaalsContact CG-O 3.31Å; Q136-I142 WeakPolarHBondContact CG-O 3.02Å; Q136-I142 PolarHBondContact OE1-O 3.44Å; S140-I142 VanDerWaalsContact C-N 3.31Å; S140-I142 PolarHBondContact OG-N 3.32Å; S140-I142 VanDerWaalsContact OG-N 3.12Å; S140-I142 PolarHBondContact OG-O 2.89Å
143	P	91	Very high	82.5	Confident	51 Å²	51	72 Å²	72	33%	0.331	37%	0.367	S	S	.	.	S	Bend	cis	-78.4	-11.8	0.1	32	-38.3	0	0	0	115.4	T177 P180	P143-T177 WeakPolarHBondContact CG-O 3.4Å; P143-P180 HydrophobicContact CB-CB 4.43Å
144	H	90.9	Very high	81	Confident	11 Å²	11	80.1 Å²	80.1	5%	0.051	40%	0.395	C	S	.	.	S	Bend	trans	-116.2	116.1	-176.1	-57.2	-49.3	0	0	0	112.7	Q136 P141 H146 F176 T177 D179 R185	Q136-H144 PolarHBondContact NE2-O 3.3Å; P141-H144 CarbonylContact O-C 3.53Å; H144-H146 PolarHBondContact O-CD2 3.02Å; H144-H146 VanDerWaalsContact O-CD2 3.23Å; H144-F176 HydrophobicContact CB-CD1 4.13Å; H144-T177 PolarHBondContact CD2-O 2.66Å; H144-T177 PolarHBondContact NE2-O 3.01Å; H144-D179 PolarHBondContact CE1-O 3.46Å; H144-D179 PolarHBondContact NE2-O 2.89Å; H144-R185 HydrophobicContact CB-CG 4.21Å; H144-R185 PolarHBondContact CD2-O 2.94Å; H144-R185 WeakPolarHBondContact NE2-CA 3.46Å
145	E	87.4	Confident	79.3	Confident	152 Å²	152	85.4 Å²	85.4	71%	0.71	42%	0.415	S	S	*	.			trans	-68.7	138	173.7	-66.6	-171	166.5	0	0	111.6	P141 R185	P141-E145 WeakPolarHBondContact O-CA 3.13Å; P141-E145 PolarHBondContact O-N 2.02Å; E145-R185 VanDerWaalsContact O-CZ 3.25Å; E145-R185 PolarHBondContact O-NH1 2.73Å; E145-R185 PolarHBondContact O-NH2 2.75Å
146	H	85.7	Confident	77.8	Confident	21 Å²	21	86.9 Å²	86.9	10%	0.097	42%	0.424	C	S	.	.			trans	-155.6	159.1	-178.5	59.3	61.2	0	0	0	114.8	Q136 W138 S140 H144 F148 M149 F176	Q136-H146 PolarHBondContact NE2-NE2 3.03Å; W138-H146 PolarHBondContact O-CE1 2.93Å; W138-H146 VanDerWaalsContact O-CE1 3.27Å; S140-H146 PolarHBondContact O-NE2 2.99Å; H144-H146 PolarHBondContact O-CD2 3.02Å; H144-H146 VanDerWaalsContact O-CD2 3.23Å; H146-F148 HydrophobicContact CB-CD2 4.36Å; H146-F148 PolarHBondContact O-N 3.46Å; H146-M149 WeakPolarHBondContact CE1-CE 3.48Å; H146-M149 WeakPolarHBondContact ND1-CE 3.48Å; H146-F176 HydrophobicContact CB-CD2 4.35Å; H146-F176 HydrophobicContact CB-CE1 3.82Å; H146-F176 HydrophobicContact CB-CE2 3.59Å; H146-F176 HydrophobicContact CB-CZ 3.29Å; H146-F176 AromaticContact CD2-CD1 3.98Å; H146-F176 AromaticContact CD2-CD2 3.13Å; H146-F176 WeakPolarHBondContact CD2-CD2 3.43Å; H146-F176 AromaticContact CD2-CE2 3.24Å; H146-F176 WeakPolarHBondContact CD2-CE2 3.04Å; H146-F176 AromaticContact CD2-CG 3.54Å; H146-F176 AromaticContact CD2-CZ 3.75Å; H146-F176 AromaticContact CG-CD2 3.76Å; H146-F176 AromaticContact CG-CE2 3.32Å; H146-F176 AromaticContact CG-CZ 3.61Å; H146-F176 AromaticContact ND1-CE2 3.98Å; H146-F176 AromaticContact NE2-CD2 3.52Å; H146-F176 AromaticContact NE2-CE2 3.84Å
147	K	79.5	Confident	76.9	Confident	182 Å²	182	88.2 Å²	88.2	79%	0.791	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-84.8	-4	-173.7	-62.1	-179.4	-177.9	176.2	0	115.2	M149 S150	K147-M149 PolarHBondContact O-N 2.82Å; K147-S150 PolarHBondContact O-N 2.03Å
148	F	76.7	Confident	76.6	Confident	36 Å²	36	88.1 Å²	88.1	16%	0.158	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-71.8	-5.2	-176.7	-67.3	-79.7	0	0	0	114.5	W138 H146 S150 Y153 L158 P166 W174 F176	W138-F148 HydrophobicContact CE3-CB 3.98Å; W138-F148 HydrophobicContact CE3-CG 4.49Å; W138-F148 HydrophobicContact CZ3-CB 4.07Å; W138-F148 HydrophobicContact CZ3-CD2 4.29Å; W138-F148 HydrophobicContact CZ3-CG 4.07Å; H146-F148 HydrophobicContact CB-CD2 4.36Å; H146-F148 PolarHBondContact O-N 3.46Å; F148-S150 VanDerWaalsContact C-N 3.3Å; F148-S150 PolarHBondContact O-N 2.83Å; F148-Y153 HydrophobicContact CD1-CD1 4.23Å; F148-Y153 HydrophobicContact CD1-CD2 4.36Å; F148-Y153 HydrophobicContact CD1-CE1 4.05Å; F148-Y153 HydrophobicContact CD1-CE2 4.19Å; F148-Y153 HydrophobicContact CD1-CG 4.38Å; F148-Y153 HydrophobicContact CE1-CE1 4.1Å; F148-L158 HydrophobicContact CB-CD1 3.99Å; F148-L158 WeakPolarHBondContact O-CD1 3.14Å; F148-P166 HydrophobicContact CD1-CB 4Å; F148-P166 HydrophobicContact CD1-CG 3.8Å; F148-P166 HydrophobicContact CE1-CB 3.83Å; F148-P166 HydrophobicContact CE1-CG 3.51Å; F148-P166 HydrophobicContact CZ-CG 4.21Å; F148-W174 HydrophobicContact CD2-CH2 4.13Å; F148-W174 AromaticContact CE2-CH2 3.54Å; F148-W174 HydrophobicContact CE2-CH2 3.54Å; F148-W174 HydrophobicContact CE2-CZ2 4.04Å; F148-W174 AromaticContact CZ-CH2 3.85Å; F148-W174 HydrophobicContact CZ-CH2 3.85Å; F148-W174 AromaticContact CZ-CZ2 3.83Å; F148-W174 HydrophobicContact CZ-CZ2 3.83Å; F148-F176 AromaticContact CD2-CE2 3.66Å; F148-F176 HydrophobicContact CD2-CE2 3.66Å; F148-F176 AromaticContact CD2-CZ 3.77Å; F148-F176 HydrophobicContact CD2-CZ 3.77Å; F148-F176 HydrophobicContact CE2-CE2 4.21Å; F148-F176 AromaticContact CE2-CZ 3.96Å; F148-F176 HydrophobicContact CE2-CZ 3.96Å
149	M	66.6	Low	76.2	Confident	84 Å²	84	90.9 Å²	90.9	41%	0.414	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-77.7	-8.4	174.4	-63	174.1	-132.7	0	0	114.1	W138 S140 P141 H146 K147	W138-M149 VanDerWaalsContact O-CG 3.22Å; W138-M149 WeakPolarHBondContact O-CG 3.4Å; S140-M149 WeakPolarHBondContact O-CE 3.38Å; P141-M149 HydrophobicContact CB-CE 3.83Å; H146-M149 WeakPolarHBondContact CE1-CE 3.48Å; H146-M149 WeakPolarHBondContact ND1-CE 3.48Å; K147-M149 PolarHBondContact O-N 2.82Å
150	S	59.2	Low	76.2	Confident	52 Å²	52	92.2 Å²	92.2	36%	0.364	43%	0.431	S	S	.	.	S	Bend	trans	-76.1	157	-169.6	81.3	0	0	0	0	114.1	K147 F148 R152 Y153	K147-S150 PolarHBondContact O-N 2.03Å; F148-S150 VanDerWaalsContact C-N 3.3Å; F148-S150 PolarHBondContact O-N 2.83Å; S150-R152 PolarHBondContact O-N 3.16Å; S150-R152 WeakPolarHBondContact OG-CB 3.25Å; S150-R152 PolarHBondContact OG-N 3.29Å; S150-Y153 PolarHBondContact O-N 3.49Å
151	K	56.8	Low	76.4	Confident	168 Å²	168	91.9 Å²	91.9	73%	0.73	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-51.8	-18.5	172	-72	-178.1	-179.8	172.7	0	113.7	Y153	K151-Y153 VanDerWaalsContact C-N 3.28Å; K151-Y153 PolarHBondContact O-N 3.34Å
152	R	59.5	Low	76.5	Confident	211 Å²	211	90.2 Å²	90.2	80%	0.796	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-64.7	-27.3	177	-162.7	-179.7	-69.9	-170.3	-2.4	113	S150	S150-R152 PolarHBondContact O-N 3.16Å; S150-R152 WeakPolarHBondContact OG-CB 3.25Å; S150-R152 PolarHBondContact OG-N 3.29Å
153	Y	62.7	Low	76.8	Confident	67 Å²	67	84.2 Å²	84.2	26%	0.263	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-106.5	17.1	-174.8	-62.1	-77.9	0	0	0	113.9	F148 S150 K151 K155 T156	F148-Y153 HydrophobicContact CD1-CD1 4.23Å; F148-Y153 HydrophobicContact CD1-CD2 4.36Å; F148-Y153 HydrophobicContact CD1-CE1 4.05Å; F148-Y153 HydrophobicContact CD1-CE2 4.19Å; F148-Y153 HydrophobicContact CD1-CG 4.38Å; F148-Y153 HydrophobicContact CE1-CE1 4.1Å; S150-Y153 PolarHBondContact O-N 3.49Å; K151-Y153 VanDerWaalsContact C-N 3.28Å; K151-Y153 PolarHBondContact O-N 3.34Å; Y153-K155 PolarHBondContact O-N 3.01Å; Y153-T156 HydrophobicContact CD1-CG2 4.45Å; Y153-T156 PolarHBondContact O-N 3.35Å; Y153-T156 VanDerWaalsContact O-N 3.1Å; Y153-T156 PolarHBondContact O-OG1 3.08Å
154	R	62.5	Low	76.9	Confident	198 Å²	198	82 Å²	82	75%	0.747	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-16.5	177.2	-79.2	-179.1	172.4	-175.6	-4.6	114.8
155	K	61.3	Low	77	Confident	200 Å²	200	81.7 Å²	81.7	87%	0.87	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-9.4	-179.1	-67.3	-177.2	179.9	177	0	114.4	Y153	Y153-K155 PolarHBondContact O-N 3.01Å
156	T	65.2	Low	77.1	Confident	33 Å²	33	75.4 Å²	75.4	20%	0.202	34%	0.337	C	S	.	.	S	Bend	trans	-96.7	11	-170.1	51.1	0	0	0	0	115.1	Y153 L158 P166	Y153-T156 HydrophobicContact CD1-CG2 4.45Å; Y153-T156 PolarHBondContact O-N 3.35Å; Y153-T156 VanDerWaalsContact O-N 3.1Å; Y153-T156 PolarHBondContact O-OG1 3.08Å; T156-L158 VanDerWaalsContact C-N 3.31Å; T156-L158 PolarHBondContact O-N 3.24Å; T156-L158 WeakPolarHBondContact OG1-CG 3.35Å; T156-P166 HydrophobicContact CG2-CB 4.41Å
157	D	75.8	Confident	77.1	Confident	31 Å²	31	78.7 Å²	78.7	17%	0.166	36%	0.356	C	S	.	.			trans	49.6	46.2	177.1	-164.1	73.7	0	0	0	113.7	R123 I159 R164	R123-D157 VanDerWaalsContact CD-CG 3.49Å; R123-D157 WeakPolarHBondContact CD-OD2 3.42Å; R123-D157 VanDerWaalsContact NE-CB 3.29Å; D157-I159 PolarHBondContact O-N 3.04Å; D157-I159 WeakPolarHBondContact OD1-CD1 3.16Å; D157-R164 PolarHBondContact O-NE 3.11Å; D157-R164 IonicContact OD2-CZ 2.71Å; D157-R164 IonicContact OD2-NE 3.87Å; D157-R164 IonicContact OD2-NH2 2.91Å; D157-R164 PolarHBondContact OD2-NH2 2.95Å
158	L	84.6	Confident	77.6	Confident	36 Å²	36	73.6 Å²	73.6	19%	0.188	34%	0.337	C	S	.	.			trans	-78.3	66.9	177.5	-57.1	-178.3	0	0	0	110.4	W138 F148 T156 R164 P166	W138-L158 HydrophobicContact CB-CB 3.89Å; W138-L158 HydrophobicContact CD2-CB 4.19Å; W138-L158 HydrophobicContact CD2-CD1 4.39Å; W138-L158 HydrophobicContact CD2-CD2 3.95Å; W138-L158 HydrophobicContact CD2-CG 4.38Å; W138-L158 HydrophobicContact CE3-CD1 4.12Å; W138-L158 HydrophobicContact CE3-CD2 4.19Å; W138-L158 HydrophobicContact CG-CB 3.79Å; W138-L158 HydrophobicContact CG-CD2 4.4Å; W138-L158 HydrophobicContact CG-CG 4.5Å; W138-L158 HydrophobicContact CH2-CD2 4.45Å; W138-L158 HydrophobicContact CZ2-CD2 4.22Å; W138-L158 HydrophobicContact CZ3-CD2 4.42Å; F148-L158 HydrophobicContact CB-CD1 3.99Å; F148-L158 WeakPolarHBondContact O-CD1 3.14Å; T156-L158 VanDerWaalsContact C-N 3.31Å; T156-L158 PolarHBondContact O-N 3.24Å; T156-L158 WeakPolarHBondContact OG1-CG 3.35Å; L158-R164 HydrophobicContact CD2-CB 3.73Å; L158-R164 HydrophobicContact CD2-CG 3.86Å; L158-P166 HydrophobicContact CD2-CB 4.39Å
159	I	81.8	Confident	78.2	Confident	63 Å²	63	73.4 Å²	73.4	32%	0.323	34%	0.34	S	S	.	.			trans	-91.8	136.8	-178.9	-61.4	178.6	0	0	0	109.4	D157 N161 Y162	D157-I159 PolarHBondContact O-N 3.04Å; D157-I159 WeakPolarHBondContact OD1-CD1 3.16Å; I159-N161 PolarHBondContact O-N 2.87Å; I159-Y162 HydrophobicContact CG2-CE2 4.34Å; I159-Y162 WeakPolarHBondContact O-CD2 3.49Å; I159-Y162 PolarHBondContact O-N 2.83Å
160	E	87.6	Confident	79.3	Confident	116 Å²	116	75.6 Å²	75.6	54%	0.542	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-130.7	178.8	-67.8	-179.4	-160.4	0	0	112.2	A137 W138 Y162	A137-E160 CarbonylContact C-O 3.58Å; A137-E160 VanDerWaalsContact CA-O 3.32Å; A137-E160 WeakPolarHBondContact CA-O 3.25Å; W138-E160 VanDerWaalsContact CD1-O 3.26Å; W138-E160 PolarHBondContact N-O 3.34Å; E160-Y162 HydrophobicContact CB-CD2 4.36Å; E160-Y162 HydrophobicContact CB-CE1 4.48Å; E160-Y162 HydrophobicContact CB-CE2 4.14Å; E160-Y162 VanDerWaalsContact CD-OH 3.31Å; E160-Y162 HydrophobicContact CG-CE2 4.46Å; E160-Y162 PolarHBondContact OE2-OH 2.84Å
161	N	92.9	Very high	80.6	Confident	30 Å²	30	77.4 Å²	77.4	16%	0.16	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	22.8	176.8	67.7	-21.1	0	0	0	111.9	S127 C135 Q136 A137 I159	S127-N161 WeakPolarHBondContact CB-OD1 3.21Å; C135-N161 HydrophobicContact CB-CB 3.85Å; C135-N161 WeakPolarHBondContact CB-O 3.37Å; C135-N161 VanDerWaalsContact O-CB 3.24Å; C135-N161 WeakPolarHBondContact O-CB 3.28Å; C135-N161 PolarHBondContact O-ND2 2.83Å; Q136-N161 WeakPolarHBondContact O-CB 3.36Å; A137-N161 HydrophobicContact CB-CB 4.3Å; I159-N161 PolarHBondContact O-N 2.87Å
162	Y	92.5	Very high	82.3	Confident	27 Å²	27	69.5 Å²	69.5	11%	0.106	33%	0.333	C	S	.	.			trans	-72	142.1	-177.9	-55.3	-40.1	0	0	0	111.8	R125 R126 W138 I159 E160 R164	R125-Y162 HydrophobicContact CB-CD1 4.07Å; R125-Y162 HydrophobicContact CB-CE1 3.82Å; R125-Y162 HydrophobicContact CG-CE1 4.27Å; R125-Y162 HydrophobicContact CG-CE2 4.2Å; R125-Y162 VanDerWaalsContact O-CD1 3.3Å; R125-Y162 WeakPolarHBondContact O-CD1 3.48Å; R126-Y162 CarbonylContact O-C 3.54Å; R126-Y162 VanDerWaalsContact O-CA 3.28Å; R126-Y162 WeakPolarHBondContact O-CA 3.38Å; W138-Y162 PolarHBondContact NE1-O 3.49Å; I159-Y162 HydrophobicContact CG2-CE2 4.34Å; I159-Y162 WeakPolarHBondContact O-CD2 3.49Å; I159-Y162 PolarHBondContact O-N 2.83Å; E160-Y162 HydrophobicContact CB-CD2 4.36Å; E160-Y162 HydrophobicContact CB-CE1 4.48Å; E160-Y162 HydrophobicContact CB-CE2 4.14Å; E160-Y162 VanDerWaalsContact CD-OH 3.31Å; E160-Y162 HydrophobicContact CG-CE2 4.46Å; E160-Y162 PolarHBondContact OE2-OH 2.84Å; Y162-R164 VanDerWaalsContact CB-NH1 3.32Å; Y162-R164 PolarHBondContact O-N 2.73Å
163	C	93.4	Very high	84	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.			trans	-60.4	133.3	177.6	-57.7	0	0	0	0	111.5	R126 P173 C189 I191	R126-C163 PolarHBondContact O-N 3.24Å; R126-C163 PolarHBondContact O-SG 2.84Å; C163-P173 HydrophobicContact CB-CB 4.14Å; C163-C189 HydrophobicContact CB-CB 3.59Å; C163-C189 WeakPolarHBondContact CB-SG 3.35Å; C163-C189 WeakPolarHBondContact SG-CB 3.32Å; C163-C189 CovalentContact SG-SG 2.01Å; C163-C189 PolarHBondContact SG-SG 2.85Å; C163-I191 HydrophobicContact CB-CD1 4.13Å
164	R	93	Very high	85.5	Confident	4 Å²	4	57 Å²	57	2%	0.015	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-143.4	161.7	-178.4	-66.5	-67.1	-177.9	-94.4	7.1	109.9	Y122 R123 G124 W138 D157 L158 Y162 P166 P173 W174	Y122-R164 WeakPolarHBondContact O-CD 3.14Å; R123-R164 PolarHBondContact O-NH2 2.96Å; G124-R164 PolarHBondContact O-NH1 2.89Å; W138-R164 HydrophobicContact CZ2-CB 3.94Å; D157-R164 PolarHBondContact O-NE 3.11Å; D157-R164 IonicContact OD2-CZ 2.71Å; D157-R164 IonicContact OD2-NE 3.87Å; D157-R164 IonicContact OD2-NH2 2.91Å; D157-R164 PolarHBondContact OD2-NH2 2.95Å; L158-R164 HydrophobicContact CD2-CB 3.73Å; L158-R164 HydrophobicContact CD2-CG 3.86Å; Y162-R164 VanDerWaalsContact CB-NH1 3.32Å; Y162-R164 PolarHBondContact O-N 2.73Å; R164-P166 VanDerWaalsContact C-CD 3.41Å; R164-P166 WeakPolarHBondContact O-CD 3.37Å; R164-P173 WeakPolarHBondContact O-CA 3.31Å; R164-W174 PolarHBondContact N-O 2.77Å; R164-W174 VanDerWaalsContact N-O 3.08Å; R164-W174 PolarHBondContact O-N 2.79Å
165	N	91.8	Very high	87.1	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.027	25%	0.25	C	S	.	.			trans	-120.3	71.5	175.8	-167.2	-3.7	0	0	0	111.1	T118 D167 N168 S169 P173	T118-N165 PolarHBondContact O-ND2 2.75Å; N165-D167 VanDerWaalsContact C-N 3.3Å; N165-D167 PolarHBondContact O-N 3.17Å; N165-D167 PolarHBondContact OD1-OD1 2.03Å; N165-N168 WeakPolarHBondContact OD1-CA 3.12Å; N165-N168 PolarHBondContact OD1-N 3.42Å; N165-S169 PolarHBondContact ND2-N 2.94Å; N165-S169 PolarHBondContact ND2-O 3.3Å; N165-S169 PolarHBondContact OD1-N 3Å; N165-P173 HydrophobicContact CB-CB 4.46Å; N165-P173 HydrophobicContact CB-CG 4.45Å
166	P	89.3	Confident	88.7	Confident	19 Å²	19	38.4 Å²	38.4	12%	0.123	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-20.2	-175.3	29.8	-35.3	0	0	0	114	W138 F148 T156 L158 R164 W174	W138-P166 HydrophobicContact CH2-CG 4.25Å; W138-P166 HydrophobicContact CZ3-CG 4.47Å; F148-P166 HydrophobicContact CD1-CB 4Å; F148-P166 HydrophobicContact CD1-CG 3.8Å; F148-P166 HydrophobicContact CE1-CB 3.83Å; F148-P166 HydrophobicContact CE1-CG 3.51Å; F148-P166 HydrophobicContact CZ-CG 4.21Å; T156-P166 HydrophobicContact CG2-CB 4.41Å; L158-P166 HydrophobicContact CD2-CB 4.39Å; R164-P166 VanDerWaalsContact C-CD 3.41Å; R164-P166 WeakPolarHBondContact O-CD 3.37Å; P166-W174 HydrophobicContact CG-CZ2 3.98Å
167	D	86.7	Confident	90.1	Very high	90 Å²	90	36.8 Å²	36.8	48%	0.481	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	3.2	-178.2	59.7	-16.3	0	0	0	113.5	N165 S169 W174	N165-D167 VanDerWaalsContact C-N 3.3Å; N165-D167 PolarHBondContact O-N 3.17Å; N165-D167 PolarHBondContact OD1-OD1 2.03Å; D167-S169 PolarHBondContact O-N 3.21Å; D167-W174 PolarHBondContact OD1-NE1 2.95Å; D167-W174 PolarHBondContact OD2-NE1 2.85Å
168	N	88.8	Confident	91.1	Very high	76 Å²	76	38.3 Å²	38.3	41%	0.406	21%	0.211	S	C	.	.			trans	57	38.2	-178.4	-164.2	43.5	0	0	0	113.1	T118 N165	T118-N168 WeakPolarHBondContact CB-OD1 3.17Å; T118-N168 PolarHBondContact OG1-OD1 3.46Å; N165-N168 WeakPolarHBondContact OD1-CA 3.12Å; N165-N168 PolarHBondContact OD1-N 3.42Å
169	S	90	Very high	91.5	Very high	31 Å²	31	37.8 Å²	37.8	22%	0.217	21%	0.208	C	C	.	.			trans	-59.4	140.3	175.1	-174.9	0	0	0	0	111.9	N165 D167 V171 G172	N165-S169 PolarHBondContact ND2-N 2.94Å; N165-S169 PolarHBondContact ND2-O 3.3Å; N165-S169 PolarHBondContact OD1-N 3Å; D167-S169 PolarHBondContact O-N 3.21Å; S169-V171 VanDerWaalsContact C-N 3.27Å; S169-V171 PolarHBondContact O-N 2.97Å; S169-V171 WeakPolarHBondContact OG-CG2 3.4Å; S169-G172 PolarHBondContact O-N 2.84Å
170	T	89.3	Confident	92	Very high	131 Å²	131	39.6 Å²	39.6	80%	0.804	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-20	178.6	52.6	0	0	0	0	113.2	G172	T170-G172 PolarHBondContact O-N 2.76Å
171	V	87.6	Confident	92.2	Very high	90 Å²	90	40.2 Å²	40.2	55%	0.545	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.2	175.5	-61	0	0	0	0	113	S169	S169-V171 VanDerWaalsContact C-N 3.27Å; S169-V171 PolarHBondContact O-N 2.97Å; S169-V171 WeakPolarHBondContact OG-CG2 3.4Å
172	G	92.2	Very high	92	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	25%	0.249	C	C	.	.			trans	95.6	-163.6	176.8	0	0	0	0	0	113.9	T118 S169 T170	T118-G172 WeakPolarHBondContact O-CA 3.41Å; S169-G172 PolarHBondContact O-N 2.84Å; T170-G172 PolarHBondContact O-N 2.76Å
173	P	95	Very high	91.8	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.019	28%	0.276	C	S	.	.			trans	-67.5	137.7	-177.8	-17.9	30.4	0	0	0	112.9	I115 Y122 C163 R164 N165 C189 I191	I115-P173 HydrophobicContact CG2-CG 3.93Å; Y122-P173 HydrophobicContact CD1-CB 4.41Å; Y122-P173 HydrophobicContact CD1-CG 4.17Å; Y122-P173 HydrophobicContact CG-CG 4.33Å; C163-P173 HydrophobicContact CB-CB 4.14Å; R164-P173 WeakPolarHBondContact O-CA 3.31Å; N165-P173 HydrophobicContact CB-CB 4.46Å; N165-P173 HydrophobicContact CB-CG 4.45Å; P173-C189 PolarHBondContact O-N 3.16Å; P173-I191 HydrophobicContact CB-CD1 3.87Å; P173-I191 HydrophobicContact CG-CD1 3.88Å
174	W	94.8	Very high	91.7	Very high	14 Å²	14	51.1 Å²	51.1	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	171.6	-177.4	60.4	-93	0	0	0	110.4	W138 F148 R164 P166 D167 F176 H186 Q187	W138-W174 HydrophobicContact CH2-CE3 4.17Å; W138-W174 HydrophobicContact CH2-CH2 4.04Å; W138-W174 HydrophobicContact CH2-CZ2 4.47Å; W138-W174 AromaticContact CH2-CZ3 3.89Å; W138-W174 HydrophobicContact CH2-CZ3 3.89Å; W138-W174 WeakPolarHBondContact CZ2-O 3.24Å; W138-W174 HydrophobicContact CZ3-CH2 4.14Å; W138-W174 HydrophobicContact CZ3-CZ3 4.18Å; F148-W174 HydrophobicContact CD2-CH2 4.13Å; F148-W174 AromaticContact CE2-CH2 3.54Å; F148-W174 HydrophobicContact CE2-CH2 3.54Å; F148-W174 HydrophobicContact CE2-CZ2 4.04Å; F148-W174 AromaticContact CZ-CH2 3.85Å; F148-W174 HydrophobicContact CZ-CH2 3.85Å; F148-W174 AromaticContact CZ-CZ2 3.83Å; F148-W174 HydrophobicContact CZ-CZ2 3.83Å; R164-W174 PolarHBondContact N-O 2.77Å; R164-W174 VanDerWaalsContact N-O 3.08Å; R164-W174 PolarHBondContact O-N 2.79Å; P166-W174 HydrophobicContact CG-CZ2 3.98Å; D167-W174 PolarHBondContact OD1-NE1 2.95Å; D167-W174 PolarHBondContact OD2-NE1 2.85Å; W174-F176 AromaticContact CH2-CE2 3.82Å; W174-F176 HydrophobicContact CH2-CE2 3.82Å; W174-F176 AromaticContact CH2-CZ 3.79Å; W174-F176 HydrophobicContact CH2-CZ 3.79Å; W174-F176 HydrophobicContact CZ3-CD1 4.48Å; W174-F176 AromaticContact CZ3-CD2 3.97Å; W174-F176 HydrophobicContact CZ3-CD2 3.97Å; W174-F176 HydrophobicContact CZ3-CE1 4.14Å; W174-F176 AromaticContact CZ3-CE2 3.6Å; W174-F176 HydrophobicContact CZ3-CE2 3.6Å; W174-F176 HydrophobicContact CZ3-CG 4.38Å; W174-F176 AromaticContact CZ3-CZ 3.68Å; W174-F176 HydrophobicContact CZ3-CZ 3.68Å; W174-H186 HydrophobicContact CE3-CB 3.82Å; W174-H186 HydrophobicContact CZ3-CB 3.95Å; W174-Q187 WeakPolarHBondContact CA-O 3.42Å; W174-Q187 VanDerWaalsContact CB-O 3.32Å; W174-Q187 WeakPolarHBondContact CB-O 3.33Å
175	C	95.1	Very high	91.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.9	171.8	68.9	0	0	0	0	110.8	C135 H186 Q187	C135-C175 VanDerWaalsContact CA-SG 3.58Å; C135-C175 HydrophobicContact CB-CB 3.57Å; C135-C175 WeakPolarHBondContact CB-SG 3.13Å; C135-C175 WeakPolarHBondContact SG-CB 3.37Å; C135-C175 CovalentContact SG-SG 2.02Å; C135-C175 PolarHBondContact SG-SG 3.26Å; C175-H186 VanDerWaalsContact O-CA 3.27Å; C175-H186 WeakPolarHBondContact O-CA 2.97Å; C175-H186 WeakPolarHBondContact O-CB 3.22Å; C175-Q187 PolarHBondContact N-O 2.78Å; C175-Q187 VanDerWaalsContact N-O 3.1Å; C175-Q187 PolarHBondContact O-N 3.19Å; C175-Q187 VanDerWaalsContact O-N 3.08Å
176	F	95.3	Very high	91.7	Very high	6 Å²	6	60 Å²	60	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	144	162.1	-66.8	-78.2	0	0	0	108.7	C135 Q136 W138 H144 H146 F148 W174 R185 H186	C135-F176 CarbonylContact C-O 3.52Å; C135-F176 VanDerWaalsContact CA-O 3.32Å; C135-F176 WeakPolarHBondContact CA-O 3.23Å; Q136-F176 HydrophobicContact CB-CB 3.95Å; Q136-F176 HydrophobicContact CG-CB 4.4Å; Q136-F176 PolarHBondContact N-O 3.37Å; W138-F176 HydrophobicContact CE3-CD2 4.2Å; W138-F176 HydrophobicContact CE3-CE2 4.21Å; W138-F176 AromaticContact CZ3-CD2 3.91Å; W138-F176 HydrophobicContact CZ3-CD2 3.91Å; W138-F176 AromaticContact CZ3-CE2 3.7Å; W138-F176 HydrophobicContact CZ3-CE2 3.7Å; H144-F176 HydrophobicContact CB-CD1 4.13Å; H146-F176 HydrophobicContact CB-CD2 4.35Å; H146-F176 HydrophobicContact CB-CE1 3.82Å; H146-F176 HydrophobicContact CB-CE2 3.59Å; H146-F176 HydrophobicContact CB-CZ 3.29Å; H146-F176 AromaticContact CD2-CD1 3.98Å; H146-F176 AromaticContact CD2-CD2 3.13Å; H146-F176 WeakPolarHBondContact CD2-CD2 3.43Å; H146-F176 AromaticContact CD2-CE2 3.24Å; H146-F176 WeakPolarHBondContact CD2-CE2 3.04Å; H146-F176 AromaticContact CD2-CG 3.54Å; H146-F176 AromaticContact CD2-CZ 3.75Å; H146-F176 AromaticContact CG-CD2 3.76Å; H146-F176 AromaticContact CG-CE2 3.32Å; H146-F176 AromaticContact CG-CZ 3.61Å; H146-F176 AromaticContact ND1-CE2 3.98Å; H146-F176 AromaticContact NE2-CD2 3.52Å; H146-F176 AromaticContact NE2-CE2 3.84Å; F148-F176 AromaticContact CD2-CE2 3.66Å; F148-F176 HydrophobicContact CD2-CE2 3.66Å; F148-F176 AromaticContact CD2-CZ 3.77Å; F148-F176 HydrophobicContact CD2-CZ 3.77Å; F148-F176 HydrophobicContact CE2-CE2 4.21Å; F148-F176 AromaticContact CE2-CZ 3.96Å; F148-F176 HydrophobicContact CE2-CZ 3.96Å; W174-F176 AromaticContact CH2-CE2 3.82Å; W174-F176 HydrophobicContact CH2-CE2 3.82Å; W174-F176 AromaticContact CH2-CZ 3.79Å; W174-F176 HydrophobicContact CH2-CZ 3.79Å; W174-F176 HydrophobicContact CZ3-CD1 4.48Å; W174-F176 AromaticContact CZ3-CD2 3.97Å; W174-F176 HydrophobicContact CZ3-CD2 3.97Å; W174-F176 HydrophobicContact CZ3-CE1 4.14Å; W174-F176 AromaticContact CZ3-CE2 3.6Å; W174-F176 HydrophobicContact CZ3-CE2 3.6Å; W174-F176 HydrophobicContact CZ3-CG 4.38Å; W174-F176 AromaticContact CZ3-CZ 3.68Å; W174-F176 HydrophobicContact CZ3-CZ 3.68Å; F176-R185 WeakPolarHBondContact CA-O 3.01Å; F176-R185 HydrophobicContact CD1-CG 4.27Å; F176-R185 WeakPolarHBondContact CD1-O 3.41Å; F176-R185 HydrophobicContact CE1-CG 4.43Å; F176-H186 HydrophobicContact CD1-CB 4.18Å; F176-H186 HydrophobicContact CE1-CB 4.41Å
177	T	95.8	Very high	92	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-95.7	162.8	-177.1	85.2	0	0	0	0	111.1	T129 I133 P143 H144 D179 L184 R185 Q187	T129-T177 HydrophobicContact CG2-CG2 3.83Å; I133-T177 HydrophobicContact CG2-CG2 4.46Å; P143-T177 WeakPolarHBondContact CG-O 3.4Å; H144-T177 PolarHBondContact CD2-O 2.66Å; H144-T177 PolarHBondContact NE2-O 3.01Å; T177-D179 PolarHBondContact OG1-N 2.91Å; T177-L184 WeakPolarHBondContact CB-O 3.48Å; T177-L184 WeakPolarHBondContact CG2-O 3.27Å; T177-L184 PolarHBondContact OG1-O 2.93Å; T177-R185 PolarHBondContact N-O 3.44Å; T177-Q187 HydrophobicContact CG2-CB 4.11Å
178	T	95.4	Very high	92.4	Very high	63 Å²	63	60.5 Å²	60.5	39%	0.387	32%	0.318	S	S	.	.	S	Bend	trans	-82.3	1.6	170.8	55.6	0	0	0	0	113.2	L134	L134-T178 HydrophobicContact CB-CG2 4.2Å; L134-T178 HydrophobicContact CD2-CG2 4.29Å; L134-T178 HydrophobicContact CG-CG2 4.26Å; L134-T178 WeakPolarHBondContact O-CG2 3.34Å; L134-T178 PolarHBondContact O-N 3.36Å; L134-T178 PolarHBondContact O-OG1 2.76Å
179	D	93.1	Very high	92.7	Very high	24 Å²	24	56.9 Å²	56.9	13%	0.128	30%	0.299	C	S	.	.			trans	-87	120.7	-179.2	-169.3	-47.8	0	0	0	110.7	I133 H144 T177 R181 L184	I133-D179 HydrophobicContact CD1-CB 4.48Å; I133-D179 HydrophobicContact CG2-CB 4.19Å; H144-D179 PolarHBondContact CE1-O 3.46Å; H144-D179 PolarHBondContact NE2-O 2.89Å; T177-D179 PolarHBondContact OG1-N 2.91Å; D179-R181 PolarHBondContact O-N 2.82Å; D179-R181 VanDerWaalsContact O-N 3.08Å; D179-R181 WeakPolarHBondContact OD1-CB 3.5Å; D179-R181 WeakPolarHBondContact OD1-CG 3.31Å; D179-R181 IonicContact OD1-CZ 2.97Å; D179-R181 PolarHBondContact OD1-N 3.13Å; D179-R181 IonicContact OD1-NE 3.59Å; D179-R181 PolarHBondContact OD1-NE 2.65Å; D179-R181 IonicContact OD2-CZ 3.26Å; D179-R181 IonicContact OD2-NE 3.66Å; D179-R181 PolarHBondContact OD2-NE 2.85Å; D179-R181 IonicContact OD2-NH2 2.74Å; D179-R181 PolarHBondContact OD2-NH2 3.3Å; D179-L184 HydrophobicContact CB-CB 4.24Å; D179-L184 HydrophobicContact CB-CD1 4.3Å; D179-L184 WeakPolarHBondContact OD2-CD1 3.45Å
180	P	92.6	Very high	92.9	Very high	101 Å²	101	57.4 Å²	57.4	66%	0.656	31%	0.309	S	S	*	.			trans	-68.4	-10.4	-174.9	29.2	-35.8	0	0	0	114.3	P143	P143-P180 HydrophobicContact CB-CB 4.43Å
181	R	92.6	Very high	93.1	Very high	129 Å²	129	52 Å²	52	49%	0.487	28%	0.275	S	S	.	.			trans	-65.3	128.1	-177.5	-68.9	176.9	-75.4	179.9	-2.4	111.3	D179 H183 L184	D179-R181 PolarHBondContact O-N 2.82Å; D179-R181 VanDerWaalsContact O-N 3.08Å; D179-R181 WeakPolarHBondContact OD1-CB 3.5Å; D179-R181 WeakPolarHBondContact OD1-CG 3.31Å; D179-R181 IonicContact OD1-CZ 2.97Å; D179-R181 PolarHBondContact OD1-N 3.13Å; D179-R181 IonicContact OD1-NE 3.59Å; D179-R181 PolarHBondContact OD1-NE 2.65Å; D179-R181 IonicContact OD2-CZ 3.26Å; D179-R181 IonicContact OD2-NE 3.66Å; D179-R181 PolarHBondContact OD2-NE 2.85Å; D179-R181 IonicContact OD2-NH2 2.74Å; D179-R181 PolarHBondContact OD2-NH2 3.3Å; R181-H183 VanDerWaalsContact C-N 3.29Å; R181-H183 PolarHBondContact O-N 2.84Å; R181-H183 VanDerWaalsContact O-N 3.12Å; R181-L184 PolarHBondContact O-N 3.13Å
182	P	87.1	Confident	93.4	Very high	115 Å²	115	50.3 Å²	50.3	75%	0.747	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-57.5	-32.5	-173.8	-28.6	34.6	0	0	0	115.9	L184 R185	P182-L184 VanDerWaalsContact C-N 3.28Å; P182-L184 PolarHBondContact O-N 2.96Å; P182-R185 VanDerWaalsContact O-CB 3.31Å; P182-R185 WeakPolarHBondContact O-CB 3.49Å; P182-R185 PolarHBondContact O-N 2.95Å
183	H	88.4	Confident	93.5	Very high	143 Å²	143	52.8 Å²	52.8	66%	0.662	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-76.3	-13.3	179.2	61.1	-86.5	0	0	0	113.4	R181	R181-H183 VanDerWaalsContact C-N 3.29Å; R181-H183 PolarHBondContact O-N 2.84Å; R181-H183 VanDerWaalsContact O-N 3.12Å
184	L	91.4	Very high	93.5	Very high	28 Å²	28	52.7 Å²	52.7	15%	0.147	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-105.7	19.2	174.7	-68.4	170.6	0	0	0	111.8	I133 T177 D179 R181 P182 H186	I133-L184 HydrophobicContact CD1-CD1 3.94Å; I133-L184 HydrophobicContact CD1-CD2 4.09Å; I133-L184 HydrophobicContact CD1-CG 4.43Å; T177-L184 WeakPolarHBondContact CB-O 3.48Å; T177-L184 WeakPolarHBondContact CG2-O 3.27Å; T177-L184 PolarHBondContact OG1-O 2.93Å; D179-L184 HydrophobicContact CB-CB 4.24Å; D179-L184 HydrophobicContact CB-CD1 4.3Å; D179-L184 WeakPolarHBondContact OD2-CD1 3.45Å; R181-L184 PolarHBondContact O-N 3.13Å; P182-L184 VanDerWaalsContact C-N 3.28Å; P182-L184 PolarHBondContact O-N 2.96Å; L184-H186 PolarHBondContact O-N 3.35Å; L184-H186 VanDerWaalsContact O-N 3.16Å
185	R	93.4	Very high	93.4	Very high	90 Å²	90	53.1 Å²	53.1	34%	0.34	28%	0.282	S	S	.	.	S	Bend	trans	-51.9	-42.4	-176.2	174.8	175.3	164.7	82.9	5.2	113.7	H144 E145 F176 T177 P182	H144-R185 HydrophobicContact CB-CG 4.21Å; H144-R185 PolarHBondContact CD2-O 2.94Å; H144-R185 WeakPolarHBondContact NE2-CA 3.46Å; E145-R185 VanDerWaalsContact O-CZ 3.25Å; E145-R185 PolarHBondContact O-NH1 2.73Å; E145-R185 PolarHBondContact O-NH2 2.75Å; F176-R185 WeakPolarHBondContact CA-O 3.01Å; F176-R185 HydrophobicContact CD1-CG 4.27Å; F176-R185 WeakPolarHBondContact CD1-O 3.41Å; F176-R185 HydrophobicContact CE1-CG 4.43Å; T177-R185 PolarHBondContact N-O 3.44Å; P182-R185 VanDerWaalsContact O-CB 3.31Å; P182-R185 WeakPolarHBondContact O-CB 3.49Å; P182-R185 PolarHBondContact O-N 2.95Å
186	H	92.9	Very high	93.2	Very high	106 Å²	106	58.3 Å²	58.3	49%	0.491	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153.4	172.5	62.7	-87.3	0	0	0	108.7	W174 C175 F176 L184	W174-H186 HydrophobicContact CE3-CB 3.82Å; W174-H186 HydrophobicContact CZ3-CB 3.95Å; C175-H186 VanDerWaalsContact O-CA 3.27Å; C175-H186 WeakPolarHBondContact O-CA 2.97Å; C175-H186 WeakPolarHBondContact O-CB 3.22Å; F176-H186 HydrophobicContact CD1-CB 4.18Å; F176-H186 HydrophobicContact CE1-CB 4.41Å; L184-H186 PolarHBondContact O-N 3.35Å; L184-H186 VanDerWaalsContact O-N 3.16Å
187	Q	94.6	Very high	92.9	Very high	43 Å²	43	61.7 Å²	61.7	20%	0.201	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152	176.7	-165.9	179.7	34.2	0	0	109.7	T129 V130 S131 W174 C175 T177	T129-Q187 HydrophobicContact CG2-CB 3.82Å; T129-Q187 PolarHBondContact OG1-OE1 2.81Å; V130-Q187 HydrophobicContact CG1-CG 4.06Å; S131-Q187 PolarHBondContact OG-NE2 3.31Å; S131-Q187 PolarHBondContact OG-OE1 3.25Å; W174-Q187 WeakPolarHBondContact CA-O 3.42Å; W174-Q187 VanDerWaalsContact CB-O 3.32Å; W174-Q187 WeakPolarHBondContact CB-O 3.33Å; C175-Q187 PolarHBondContact N-O 2.78Å; C175-Q187 VanDerWaalsContact N-O 3.1Å; C175-Q187 PolarHBondContact O-N 3.19Å; C175-Q187 VanDerWaalsContact O-N 3.08Å; T177-Q187 HydrophobicContact CG2-CB 4.11Å
188	E	95.1	Very high	92.7	Very high	76 Å²	76	65.1 Å²	65.1	36%	0.355	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	155.1	170.2	66.4	-178.1	-160.3	0	0	112.1	T129 V130	T129-E188 WeakPolarHBondContact CA-O 3.45Å; T129-E188 WeakPolarHBondContact CB-O 3.47Å; V130-E188 HydrophobicContact CB-CG 4.3Å; V130-E188 HydrophobicContact CG1-CG 3.84Å; V130-E188 PolarHBondContact N-O 2.76Å
189	C	95.1	Very high	92.4	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.34	C	S	.	.			trans	-96.3	0.5	-178	-61.3	0	0	0	0	115.1	R126 C163 P173 I191	R126-C189 HydrophobicContact CG-CB 4.2Å; C163-C189 HydrophobicContact CB-CB 3.59Å; C163-C189 WeakPolarHBondContact CB-SG 3.35Å; C163-C189 WeakPolarHBondContact SG-CB 3.32Å; C163-C189 CovalentContact SG-SG 2.01Å; C163-C189 PolarHBondContact SG-SG 2.85Å; P173-C189 PolarHBondContact O-N 3.16Å; C189-I191 VanDerWaalsContact C-N 3.25Å; C189-I191 HydrophobicContact CB-CD1 4.21Å; C189-I191 HydrophobicContact CB-CG1 4.15Å; C189-I191 PolarHBondContact O-N 3.21Å
190	G	93.2	Very high	92.1	Very high	42 Å²	42	63.4 Å²	63.4	43%	0.433	34%	0.335	S	S	.	.			trans	59.7	33.8	178.3	0	0	0	0	0	113.4
191	I	94.5	Very high	91.6	Very high	18 Å²	18	62.1 Å²	62.1	9%	0.092	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-74	122.3	178.4	-60.5	161.6	0	0	0	108	E113 I115 Y122 R126 C163 P173 C189	E113-I191 WeakPolarHBondContact O-CG2 3.37Å; I115-I191 HydrophobicContact CG2-CB 4.37Å; I115-I191 HydrophobicContact CG2-CG2 3.79Å; Y122-I191 HydrophobicContact CD1-CD1 3.93Å; Y122-I191 HydrophobicContact CE1-CD1 3.43Å; Y122-I191 VanDerWaalsContact CE1-CD1 3.43Å; Y122-I191 HydrophobicContact CE2-CD1 4.24Å; Y122-I191 HydrophobicContact CE2-CG2 4.23Å; R126-I191 HydrophobicContact CB-CD1 4.21Å; R126-I191 HydrophobicContact CB-CG1 4.33Å; R126-I191 HydrophobicContact CG-CD1 4.44Å; R126-I191 HydrophobicContact CG-CG1 4.14Å; C163-I191 HydrophobicContact CB-CD1 4.13Å; P173-I191 HydrophobicContact CB-CD1 3.87Å; P173-I191 HydrophobicContact CG-CD1 3.88Å; C189-I191 VanDerWaalsContact C-N 3.25Å; C189-I191 HydrophobicContact CB-CD1 4.21Å; C189-I191 HydrophobicContact CB-CG1 4.15Å; C189-I191 PolarHBondContact O-N 3.21Å
192	P	94.2	Very high	91	Very high	54 Å²	54	58.6 Å²	58.6	35%	0.351	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-68	153.1	-174.2	28	-35.6	0	0	0	111.9	C114 I115 V197	C114-P192 VanDerWaalsContact CA-O 3.26Å; C114-P192 WeakPolarHBondContact CA-O 3.27Å; C114-P192 WeakPolarHBondContact CB-O 3.43Å; I115-P192 PolarHBondContact N-O 3.34Å; P192-V197 HydrophobicContact CB-CG2 4.37Å; P192-V197 HydrophobicContact CG-CG2 4.01Å
193	Q	94.1	Very high	90.7	Very high	54 Å²	54	53.3 Å²	53.3	25%	0.252	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-65.4	144.6	167.1	-67.5	-69.3	-36.3	0	0	109.7	I115 G117 S195 Q196 V197	I115-Q193 CarbonylContact O-C 3.07Å; I115-Q193 VanDerWaalsContact O-CA 3.32Å; I115-Q193 WeakPolarHBondContact O-CA 3.34Å; I115-Q193 PolarHBondContact O-OE1 2.94Å; G117-Q193 PolarHBondContact O-NE2 2.73Å; Q193-S195 PolarHBondContact O-N 2.02Å; Q193-S195 VanDerWaalsContact O-N 3.14Å; Q193-Q196 HydrophobicContact CB-CB 4.41Å; Q193-Q196 HydrophobicContact CB-CG 4.07Å; Q193-Q196 WeakPolarHBondContact O-CA 3.23Å; Q193-Q196 WeakPolarHBondContact O-CB 3.18Å; Q193-Q196 PolarHBondContact O-N 2.78Å; Q193-V197 PolarHBondContact O-N 2.84Å
194	C	93.8	Very high	90.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-23.4	178.1	-64.3	0	0	0	0	112.7	C114 I115 V116 Q196 P210 M211	C114-C194 VanDerWaalsContact C-SG 3.52Å; C114-C194 HydrophobicContact CB-CB 3.96Å; C114-C194 WeakPolarHBondContact CB-SG 3.02Å; C114-C194 WeakPolarHBondContact SG-CA 3.45Å; C114-C194 WeakPolarHBondContact SG-CB 3.26Å; C114-C194 CovalentContact SG-SG 2.05Å; C114-C194 PolarHBondContact SG-SG 3.42Å; I115-C194 PolarHBondContact O-N 3.32Å; I115-C194 PolarHBondContact O-SG 2.8Å; I115-C194 VanDerWaalsContact O-SG 3.41Å; V116-C194 HydrophobicContact CG2-CB 4.1Å; C194-Q196 PolarHBondContact O-N 3.45Å; C194-P210 HydrophobicContact CB-CG 4.13Å; C194-M211 HydrophobicContact CB-SD 4.41Å
195	S	92.8	Very high	90.4	Very high	23 Å²	23	46.7 Å²	46.7	16%	0.161	25%	0.253	C	S	.	.	H	α-helix	trans	-72.3	-8.8	170.6	55	0	0	0	0	114.6	Q193 N272 K274	Q193-S195 PolarHBondContact O-N 2.02Å; Q193-S195 VanDerWaalsContact O-N 3.14Å; S195-N272 WeakPolarHBondContact CB-O 3.41Å; S195-K274 WeakPolarHBondContact O-CB 3.49Å; S195-K274 PolarHBondContact O-N 3.18Å
196	Q	91.4	Very high	90.1	Very high	109 Å²	109	47.8 Å²	47.8	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-117.5	-14.6	-175.3	-64.3	174.9	-22.9	0	0	113.7	Q193 C194 E198	Q193-Q196 HydrophobicContact CB-CB 4.41Å; Q193-Q196 HydrophobicContact CB-CG 4.07Å; Q193-Q196 WeakPolarHBondContact O-CA 3.23Å; Q193-Q196 WeakPolarHBondContact O-CB 3.18Å; Q193-Q196 PolarHBondContact O-N 2.78Å; C194-Q196 PolarHBondContact O-N 3.45Å; Q196-E198 VanDerWaalsContact C-N 3.29Å; Q196-E198 PolarHBondContact O-N 2.94Å
197	V	90.3	Very high	90	Very high	77 Å²	77	42.9 Å²	42.9	47%	0.467	24%	0.243	S	C	.	.	H	α-helix	trans	-59.9	-43.4	178.3	175.1	0	0	0	0	111.2	C114 P192 Q193 P210	C114-V197 HydrophobicContact CB-CG2 3.36Å; P192-V197 HydrophobicContact CB-CG2 4.37Å; P192-V197 HydrophobicContact CG-CG2 4.01Å; Q193-V197 PolarHBondContact O-N 2.84Å; V197-P210 HydrophobicContact CB-CG 4.24Å; V197-P210 HydrophobicContact CG1-CG 4.42Å; V197-P210 HydrophobicContact CG2-CG 4.33Å
198	E	90.8	Very high	90	Very high	72 Å²	72	45 Å²	45	34%	0.336	25%	0.25	S	C	.	.	S	Bend	trans	-131.5	131.4	178.2	-166.3	177.4	140.8	0	0	106.6	Q196 Y207 R208 G209	Q196-E198 VanDerWaalsContact C-N 3.29Å; Q196-E198 PolarHBondContact O-N 2.94Å; E198-Y207 HydrophobicContact CB-CE2 4.01Å; E198-Y207 HydrophobicContact CG-CD2 4.41Å; E198-Y207 HydrophobicContact CG-CE2 4.32Å; E198-Y207 WeakPolarHBondContact O-CE2 3.18Å; E198-R208 PolarHBondContact OE1-N 3.39Å; E198-G209 VanDerWaalsContact CD-N 3.31Å; E198-G209 PolarHBondContact OE1-N 3.17Å; E198-G209 WeakPolarHBondContact OE2-CA 3.13Å; E198-G209 PolarHBondContact OE2-N 3.05Å
199	C	88.6	Confident	89.9	Confident	46 Å²	46	41.5 Å²	41.5	31%	0.311	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-95.6	154.6	-179.9	56.5	0	0	0	0	110.7	K274 C276	C199-K274 CarbonylContact C-O 3.47Å; C199-K274 WeakPolarHBondContact CA-O 3.37Å; C199-K274 HydrophobicContact CB-CB 4.47Å; C199-K274 HydrophobicContact CB-CG 4.43Å; C199-K274 WeakPolarHBondContact CB-O 3.2Å; C199-C276 VanDerWaalsContact C-SG 3.57Å; C199-C276 HydrophobicContact CB-CB 3.99Å; C199-C276 WeakPolarHBondContact CB-SG 2.94Å; C199-C276 WeakPolarHBondContact SG-CA 3.49Å; C199-C276 WeakPolarHBondContact SG-CB 3.27Å; C199-C276 CovalentContact SG-SG 2.03Å; C199-C276 PolarHBondContact SG-SG 3.32Å
200	I	87.9	Confident	89.8	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-82.2	134.1	171.5	61.7	175.6	0	0	0	109.7	Y207 P257 I273 K274 V275 C276	I200-Y207 HydrophobicContact CG2-CD2 3.82Å; I200-Y207 HydrophobicContact CG2-CE2 4.48Å; I200-Y207 HydrophobicContact CG2-CG 4.05Å; I200-P257 HydrophobicContact CG2-CG 3.89Å; I200-I273 HydrophobicContact CG2-CB 3.93Å; I200-I273 HydrophobicContact CG2-CD1 4.24Å; I200-I273 HydrophobicContact CG2-CG2 3.67Å; I200-K274 PolarHBondContact N-O 3.39Å; I200-V275 HydrophobicContact CD1-CG2 4.02Å; I200-V275 HydrophobicContact CG1-CB 4.36Å; I200-V275 HydrophobicContact CG1-CG2 3.89Å; I200-C276 PolarHBondContact O-N 3.3Å; I200-C276 PolarHBondContact O-SG 3.32Å
201	T	82.3	Confident	89.9	Confident	73 Å²	73	41.5 Å²	41.5	45%	0.448	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-97.2	145.9	159.9	52	0	0	0	0	108	N203 G204 C276	T201-N203 PolarHBondContact O-N 3.38Å; T201-G204 PolarHBondContact O-N 3.35Å; T201-C276 HydrophobicContact CG2-CB 4.33Å
202	C	78.2	Confident	89.9	Confident	55 Å²	55	40.8 Å²	40.8	37%	0.372	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-122.5	179	-169.4	0	0	0	0	111.8	C337	C202-C337 WeakPolarHBondContact CA-SG 3.4Å; C202-C337 HydrophobicContact CB-CB 3.5Å; C202-C337 VanDerWaalsContact CB-CB 3.5Å; C202-C337 WeakPolarHBondContact CB-SG 3.32Å; C202-C337 WeakPolarHBondContact SG-CB 3.4Å; C202-C337 CovalentContact SG-SG 2.01Å; C202-C337 PolarHBondContact SG-SG 3.07Å
203	N	81.7	Confident	90	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.027	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	6.3	175.7	65.5	-18.9	0	0	0	113.7	T201 E205 N250 R254 H255 R256 P257	T201-N203 PolarHBondContact O-N 3.38Å; N203-E205 PolarHBondContact ND2-OE1 3.01Å; N203-E205 WeakPolarHBondContact OD1-CG 3.36Å; N203-E205 PolarHBondContact OD1-OE1 3.15Å; N203-N250 PolarHBondContact O-ND2 3.14Å; N203-R254 WeakPolarHBondContact CB-O 3.34Å; N203-R254 PolarHBondContact ND2-O 2.94Å; N203-R254 VanDerWaalsContact ND2-O 3.13Å; N203-H255 WeakPolarHBondContact CB-O 3.29Å; N203-R256 WeakPolarHBondContact O-CA 3.34Å; N203-P257 WeakPolarHBondContact O-CD 3.42Å
204	G	87.6	Confident	90.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	76.4	27.7	175	0	0	0	0	0	116.3	T201 D206 Y207	T201-G204 PolarHBondContact O-N 3.35Å; G204-D206 VanDerWaalsContact C-N 3.3Å; G204-D206 PolarHBondContact O-N 2.94Å; G204-Y207 WeakPolarHBondContact O-CB 3.45Å; G204-Y207 PolarHBondContact O-N 3.43Å
205	E	86.1	Confident	90.1	Very high	31 Å²	31	43.4 Å²	43.4	15%	0.145	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-38.2	171.7	-72.4	-174.8	-133.1	0	0	113.2	N203 Y207 R208 N250 G253	N203-E205 PolarHBondContact ND2-OE1 3.01Å; N203-E205 WeakPolarHBondContact OD1-CG 3.36Å; N203-E205 PolarHBondContact OD1-OE1 3.15Å; E205-Y207 VanDerWaalsContact C-N 3.29Å; E205-Y207 PolarHBondContact O-N 2.94Å; E205-R208 PolarHBondContact O-NH1 2.98Å; E205-N250 HydrophobicContact CG-CB 4.3Å; E205-G253 WeakPolarHBondContact OE1-CA 3.25Å
206	D	86.3	Confident	90.2	Very high	113 Å²	113	45.4 Å²	45.4	60%	0.604	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	0.8	177.8	-63.9	-38.6	0	0	0	113.5	G204 R208	G204-D206 VanDerWaalsContact C-N 3.3Å; G204-D206 PolarHBondContact O-N 2.94Å; D206-R208 VanDerWaalsContact C-NH1 3.31Å; D206-R208 WeakPolarHBondContact O-CG 3.32Å; D206-R208 PolarHBondContact O-N 3.21Å; D206-R208 PolarHBondContact O-NH1 2.93Å
207	Y	92.1	Very high	90.3	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.016	24%	0.241	C	C	.	.			trans	-59.6	122.6	179.2	178.4	-106.5	0	0	0	110.8	E198 I200 G204 E205 G209 M211 C248 R249 P257 I273	E198-Y207 HydrophobicContact CB-CE2 4.01Å; E198-Y207 HydrophobicContact CG-CD2 4.41Å; E198-Y207 HydrophobicContact CG-CE2 4.32Å; E198-Y207 WeakPolarHBondContact O-CE2 3.18Å; I200-Y207 HydrophobicContact CG2-CD2 3.82Å; I200-Y207 HydrophobicContact CG2-CE2 4.48Å; I200-Y207 HydrophobicContact CG2-CG 4.05Å; G204-Y207 WeakPolarHBondContact O-CB 3.45Å; G204-Y207 PolarHBondContact O-N 3.43Å; E205-Y207 VanDerWaalsContact C-N 3.29Å; E205-Y207 PolarHBondContact O-N 2.94Å; Y207-G209 WeakPolarHBondContact OH-CA 3.34Å; Y207-M211 HydrophobicContact CE1-CB 4.35Å; Y207-M211 WeakPolarHBondContact OH-CB 3.42Å; Y207-M211 PolarHBondContact OH-N 2.87Å; Y207-C248 WeakPolarHBondContact CD1-O 3.12Å; Y207-C248 HydrophobicContact CE1-CB 4.48Å; Y207-R249 WeakPolarHBondContact O-CD 3.47Å; Y207-P257 HydrophobicContact CD1-CB 4.37Å; Y207-P257 HydrophobicContact CD1-CG 4.29Å; Y207-P257 HydrophobicContact CG-CG 4.37Å; Y207-I273 HydrophobicContact CD1-CD1 3.85Å; Y207-I273 HydrophobicContact CD2-CG2 4.21Å; Y207-I273 HydrophobicContact CE1-CD1 3.49Å; Y207-I273 VanDerWaalsContact CE1-CD1 3.49Å; Y207-I273 HydrophobicContact CE1-CG1 4.41Å; Y207-I273 HydrophobicContact CE2-CD1 4.19Å; Y207-I273 HydrophobicContact CE2-CG2 3.6Å; Y207-I273 HydrophobicContact CG-CD1 4.35Å
208	R	93.4	Very high	90.5	Very high	88 Å²	88	41.7 Å²	41.7	33%	0.332	23%	0.231	S	C	.	.			trans	-119.2	8.6	176.4	-64	-60.4	175.6	-88.7	-2.3	113.2	E198 E205 D206 R249	E198-R208 PolarHBondContact OE1-N 3.39Å; E205-R208 PolarHBondContact O-NH1 2.98Å; D206-R208 VanDerWaalsContact C-NH1 3.31Å; D206-R208 WeakPolarHBondContact O-CG 3.32Å; D206-R208 PolarHBondContact O-N 3.21Å; D206-R208 PolarHBondContact O-NH1 2.93Å; R208-R249 PolarHBondContact O-NH2 3.28Å
209	G	92.6	Very high	90.6	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.021	22%	0.219	C	C	.	.			trans	-65.9	172	-176.6	0	0	0	0	0	115.5	E198 Y207 M211 R249	E198-G209 VanDerWaalsContact CD-N 3.31Å; E198-G209 PolarHBondContact OE1-N 3.17Å; E198-G209 WeakPolarHBondContact OE2-CA 3.13Å; E198-G209 PolarHBondContact OE2-N 3.05Å; Y207-G209 WeakPolarHBondContact OH-CA 3.34Å; G209-M211 PolarHBondContact O-N 3.02Å; G209-R249 PolarHBondContact O-NH1 3.43Å
210	P	93.6	Very high	91	Very high	26 Å²	26	37 Å²	37	17%	0.169	20%	0.204	C	C	.	.			trans	-89.9	11.3	-167.4	36.2	-37	0	0	0	114.7	C194 V197 D212 Y247	C194-P210 HydrophobicContact CB-CG 4.13Å; V197-P210 HydrophobicContact CB-CG 4.24Å; V197-P210 HydrophobicContact CG1-CG 4.42Å; V197-P210 HydrophobicContact CG2-CG 4.33Å; P210-D212 PolarHBondContact O-N 3.28Å; P210-Y247 VanDerWaalsContact C-CD1 3.42Å; P210-Y247 HydrophobicContact CB-CE1 4.07Å; P210-Y247 VanDerWaalsContact O-CD1 3.31Å; P210-Y247 WeakPolarHBondContact O-CD1 3.35Å; P210-Y247 VanDerWaalsContact O-CE1 3.3Å; P210-Y247 WeakPolarHBondContact O-CE1 3.42Å
211	M	95.2	Very high	91.4	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.079	20%	0.203	C	C	.	.			trans	-65.9	123.8	179.5	-171.1	64.3	173.4	0	0	110.7	C194 Y207 G209 Y213 Y247 C248 C271 I273	C194-M211 HydrophobicContact CB-SD 4.41Å; Y207-M211 HydrophobicContact CE1-CB 4.35Å; Y207-M211 WeakPolarHBondContact OH-CB 3.42Å; Y207-M211 PolarHBondContact OH-N 2.87Å; G209-M211 PolarHBondContact O-N 3.02Å; M211-Y213 WeakPolarHBondContact CE-O 3.4Å; M211-Y247 CarbonylContact O-C 3.42Å; M211-Y247 VanDerWaalsContact O-CA 3.32Å; M211-Y247 WeakPolarHBondContact O-CA 3.14Å; M211-C248 PolarHBondContact O-N 3.41Å; M211-C248 PolarHBondContact O-SG 3.34Å; M211-C248 VanDerWaalsContact O-SG 3.38Å; M211-C271 HydrophobicContact CG-CB 4.38Å; M211-I273 HydrophobicContact CB-CD1 4.39Å; M211-I273 HydrophobicContact CB-CG1 4.1Å; M211-I273 HydrophobicContact CG-CG1 4.03Å
212	D	95.2	Very high	92	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	18%	0.182	C	C	.	.			trans	-131.4	24.7	179.1	63.8	-22.5	0	0	0	113.6	K108 R112 P210 C220 N246 Y247	K108-D212 IonicContact NZ-OD2 3.53Å; K108-D212 PolarHBondContact NZ-OD2 3.36Å; R112-D212 IonicContact CZ-OD1 3.68Å; R112-D212 IonicContact CZ-OD2 3.89Å; R112-D212 VanDerWaalsContact CZ-OD2 3.27Å; R112-D212 VanDerWaalsContact NH1-CG 3.29Å; R112-D212 IonicContact NH1-OD1 3.14Å; R112-D212 PolarHBondContact NH1-OD1 2.63Å; R112-D212 IonicContact NH1-OD2 3.53Å; R112-D212 PolarHBondContact NH1-OD2 3.4Å; R112-D212 IonicContact NH2-OD1 3.56Å; R112-D212 IonicContact NH2-OD2 2.8Å; R112-D212 PolarHBondContact NH2-OD2 3.15Å; P210-D212 PolarHBondContact O-N 3.28Å; D212-C220 VanDerWaalsContact O-CB 3.29Å; D212-C220 WeakPolarHBondContact O-CB 3.29Å; D212-C220 PolarHBondContact O-N 3.3Å; D212-C220 PolarHBondContact O-SG 3.46Å; D212-N246 WeakPolarHBondContact CB-OD1 3.29Å; D212-N246 PolarHBondContact OD2-OD1 2.7Å; D212-Y247 HydrophobicContact CB-CD1 4.1Å
213	Y	95.3	Very high	92.9	Very high	64 Å²	64	30.7 Å²	30.7	25%	0.251	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-130.1	148.4	173.4	-71.5	-101.2	0	0	0	110.8	V116 M211 K218 E219	V116-Y213 HydrophobicContact CB-CD2 4.14Å; V116-Y213 HydrophobicContact CB-CE2 4.19Å; V116-Y213 HydrophobicContact CG1-CD1 4.39Å; V116-Y213 HydrophobicContact CG1-CD2 3.55Å; V116-Y213 HydrophobicContact CG1-CE2 3.91Å; V116-Y213 HydrophobicContact CG1-CG 3.81Å; V116-Y213 HydrophobicContact CG2-CD2 3.83Å; V116-Y213 HydrophobicContact CG2-CE2 4.03Å; M211-Y213 WeakPolarHBondContact CE-O 3.4Å; Y213-K218 CarbonylContact C-O 3.5Å; Y213-K218 VanDerWaalsContact CA-O 3.25Å; Y213-K218 WeakPolarHBondContact CA-O 3.19Å; Y213-E219 HydrophobicContact CD1-CB 4.13Å; Y213-E219 HydrophobicContact CE1-CB 3.73Å; Y213-E219 HydrophobicContact CE1-CG 4.3Å
214	T	96.6	Very high	93.4	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.025	17%	0.174	C	C	.	.			trans	-77.7	170.4	177.7	73	0	0	0	0	111.1	S216 G217 K218 T261 E269 Y270	T214-S216 PolarHBondContact O-N 3.48Å; T214-S216 PolarHBondContact OG1-OG 3.16Å; T214-G217 WeakPolarHBondContact O-CA 3.39Å; T214-G217 PolarHBondContact O-N 3.01Å; T214-K218 HydrophobicContact CG2-CB 4.13Å; T214-K218 PolarHBondContact N-O 3.2Å; T214-K218 WeakPolarHBondContact OG1-CB 3.31Å; T214-K218 PolarHBondContact OG1-N 3.11Å; T214-T261 HydrophobicContact CG2-CG2 3.92Å; T214-E269 VanDerWaalsContact CB-OE2 3.29Å; T214-E269 WeakPolarHBondContact CB-OE2 3.18Å; T214-E269 HydrophobicContact CG2-CB 3.73Å; T214-E269 HydrophobicContact CG2-CG 4.25Å; T214-E269 PolarHBondContact OG1-OE2 2.94Å; T214-Y270 WeakPolarHBondContact CA-O 3.3Å; T214-Y270 WeakPolarHBondContact CB-O 3.36Å
215	E	94.7	Very high	93.6	Very high	96 Å²	96	33.7 Å²	33.7	45%	0.449	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.7	176.4	66.8	-173.3	-174.1	0	0	113.4	G217 R256 E269 Y270 N272	E215-G217 PolarHBondContact O-N 3.05Å; E215-R256 IonicContact OE2-NH2 3.93Å; E215-R256 PolarHBondContact OE2-NH2 2.95Å; E215-R256 VanDerWaalsContact OE2-NH2 3.16Å; E215-E269 HydrophobicContact CG-CG 4.36Å; E215-Y270 PolarHBondContact N-O 3.08Å; E215-N272 HydrophobicContact CB-CB 3.85Å
216	S	94.1	Very high	93.7	Very high	65 Å²	65	36 Å²	36	46%	0.455	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	5	171.5	87.1	0	0	0	0	113.8	T214 K218 E269	T214-S216 PolarHBondContact O-N 3.48Å; T214-S216 PolarHBondContact OG1-OG 3.16Å; S216-K218 WeakPolarHBondContact OG-CE 3.41Å; S216-K218 WeakPolarHBondContact OG-CG 3.27Å; S216-K218 PolarHBondContact OG-NZ 2.96Å; S216-E269 WeakPolarHBondContact CB-OE1 3.31Å; S216-E269 PolarHBondContact OG-OE1 3.27Å; S216-E269 PolarHBondContact OG-OE2 2.03Å; S216-E269 VanDerWaalsContact OG-OE2 3.05Å
217	G	93	Very high	93.7	Very high	51 Å²	51	37.2 Å²	37.2	53%	0.526	20%	0.196	S	C	.	.			trans	77.6	18.5	-179	0	0	0	0	0	115.3	T214 E215	T214-G217 WeakPolarHBondContact O-CA 3.39Å; T214-G217 PolarHBondContact O-N 3.01Å; E215-G217 PolarHBondContact O-N 3.05Å
218	K	94.6	Very high	93.6	Very high	56 Å²	56	40 Å²	40	24%	0.243	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-78.7	141	172.9	-64.5	172	-163.9	134.7	0	109.9	Y213 T214 S216 T261 D263 T266 E269	Y213-K218 CarbonylContact C-O 3.5Å; Y213-K218 VanDerWaalsContact CA-O 3.25Å; Y213-K218 WeakPolarHBondContact CA-O 3.19Å; T214-K218 HydrophobicContact CG2-CB 4.13Å; T214-K218 PolarHBondContact N-O 3.2Å; T214-K218 WeakPolarHBondContact OG1-CB 3.31Å; T214-K218 PolarHBondContact OG1-N 3.11Å; S216-K218 WeakPolarHBondContact OG-CE 3.41Å; S216-K218 WeakPolarHBondContact OG-CG 3.27Å; S216-K218 PolarHBondContact OG-NZ 2.96Å; K218-T261 HydrophobicContact CD-CG2 4.34Å; K218-D263 HydrophobicContact CD-CB 4.1Å; K218-T266 HydrophobicContact CD-CG2 4.11Å; K218-T266 VanDerWaalsContact CE-OG1 3.26Å; K218-T266 WeakPolarHBondContact CE-OG1 3.29Å; K218-T266 PolarHBondContact NZ-OG1 2.75Å; K218-E269 WeakPolarHBondContact CD-OE2 3.3Å; K218-E269 IonicContact NZ-OE1 2.95Å; K218-E269 IonicContact NZ-OE2 2.74Å; K218-E269 PolarHBondContact NZ-OE2 3.04Å; K218-E269 VanDerWaalsContact NZ-OE2 3.16Å
219	E	94.5	Very high	93.6	Very high	19 Å²	19	36.6 Å²	36.6	9%	0.089	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-73.5	135.1	177	179.1	179.8	-152.9	0	0	110.5	R20 Q24 Y213 T262	R20-E219 IonicContact CZ-OE1 3.21Å; R20-E219 IonicContact CZ-OE2 3.01Å; R20-E219 VanDerWaalsContact CZ-OE2 3.26Å; R20-E219 IonicContact NE-OE1 2.63Å; R20-E219 IonicContact NE-OE2 3.31Å; R20-E219 PolarHBondContact NE-OE2 2.6Å; R20-E219 IonicContact NH2-OE1 3.92Å; R20-E219 PolarHBondContact NH2-OE1 3.27Å; R20-E219 IonicContact NH2-OE2 2.7Å; R20-E219 PolarHBondContact NH2-OE2 3.17Å; Q24-E219 WeakPolarHBondContact CB-OE1 3.44Å; Y213-E219 HydrophobicContact CD1-CB 4.13Å; Y213-E219 HydrophobicContact CE1-CB 3.73Å; Y213-E219 HydrophobicContact CE1-CG 4.3Å; E219-T262 HydrophobicContact CB-CG2 4.4Å; E219-T262 HydrophobicContact CG-CG2 4.24Å; E219-T262 WeakPolarHBondContact O-CG2 3.49Å; E219-T262 PolarHBondContact O-N 2.73Å; E219-T262 PolarHBondContact O-OG1 2.8Å
220	C	96.7	Very high	93.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-70.2	144.7	177.5	-67.4	0	0	0	0	112.6	Q24 D212 N246 C248 C259 F260	Q24-C220 PolarHBondContact OE1-O 2.89Å; Q24-C220 VanDerWaalsContact OE1-O 3.1Å; D212-C220 VanDerWaalsContact O-CB 3.29Å; D212-C220 WeakPolarHBondContact O-CB 3.29Å; D212-C220 PolarHBondContact O-N 3.3Å; D212-C220 PolarHBondContact O-SG 3.46Å; C220-N246 HydrophobicContact CB-CB 3.97Å; C220-N246 WeakPolarHBondContact CB-O 3.27Å; C220-N246 WeakPolarHBondContact O-CB 3.28Å; C220-N246 PolarHBondContact O-ND2 2.9Å; C220-C248 VanDerWaalsContact SG-SG 3.68Å; C220-C259 VanDerWaalsContact CA-SG 3.51Å; C220-C259 HydrophobicContact CB-CB 3.54Å; C220-C259 WeakPolarHBondContact CB-SG 3.43Å; C220-C259 WeakPolarHBondContact SG-CB 3.2Å; C220-C259 CovalentContact SG-SG 2.02Å; C220-C259 PolarHBondContact SG-SG 2.74Å; C220-F260 CarbonylContact C-O 3.49Å; C220-F260 WeakPolarHBondContact CA-O 3.22Å
221	Q	95.8	Very high	93.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-78.1	141.8	170.4	177.3	-177.7	-45.4	0	0	110.3	L225 E227 P228 H229 H231 N246 F260	Q221-L225 PolarHBondContact NE2-O 3.23Å; Q221-E227 VanDerWaalsContact CD-O 3.24Å; Q221-E227 VanDerWaalsContact OE1-C 3.27Å; Q221-E227 PolarHBondContact OE1-O 2.75Å; Q221-P228 VanDerWaalsContact OE1-N 3.17Å; Q221-H229 PolarHBondContact NE2-O 2.81Å; Q221-H231 PolarHBondContact NE2-NE2 2.92Å; Q221-N246 VanDerWaalsContact C-CB 3.41Å; Q221-N246 WeakPolarHBondContact O-CB 3.35Å; Q221-F260 HydrophobicContact CB-CB 3.92Å; Q221-F260 PolarHBondContact N-O 2.87Å
222	R	95.5	Very high	93.1	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-66.4	139	174.3	-52.2	177.8	55	98.1	6.7	111	L23 Y26 D224 L225 D245 N246	L23-R222 WeakPolarHBondContact O-CD 3.31Å; L23-R222 PolarHBondContact O-NH1 2.95Å; Y26-R222 PolarHBondContact O-NH1 3.22Å; R222-D224 WeakPolarHBondContact CB-OD1 3.08Å; R222-D224 WeakPolarHBondContact CD-OD1 3.43Å; R222-D224 IonicContact CZ-OD1 2.88Å; R222-D224 IonicContact CZ-OD2 3.64Å; R222-D224 IonicContact NE-OD1 3.01Å; R222-D224 PolarHBondContact NE-OD1 2.82Å; R222-D224 IonicContact NE-OD2 2.8Å; R222-D224 PolarHBondContact NE-OD2 3.39Å; R222-D224 IonicContact NH2-OD1 3.16Å; R222-D224 IonicContact NH2-OD2 3.85Å; R222-D224 PolarHBondContact NH2-OD2 2.86Å; R222-D224 PolarHBondContact O-N 3.13Å; R222-L225 HydrophobicContact CB-CB 4.3Å; R222-L225 HydrophobicContact CB-CD1 3.94Å; R222-L225 HydrophobicContact CB-CG 3.93Å; R222-L225 HydrophobicContact CG-CD1 3.93Å; R222-L225 HydrophobicContact CG-CG 4.4Å; R222-L225 PolarHBondContact O-N 2.82Å; R222-D245 CarbonylContact C-O 3.59Å; R222-D245 WeakPolarHBondContact CA-O 3.01Å; R222-D245 WeakPolarHBondContact CB-O 3.39Å; R222-D245 IonicContact CZ-OD1 2.95Å; R222-D245 IonicContact NH1-OD1 2.9Å; R222-D245 PolarHBondContact NH1-OD1 3.02Å; R222-D245 IonicContact NH2-OD1 2.93Å; R222-D245 PolarHBondContact NH2-OD1 3.46Å; R222-N246 HydrophobicContact CB-CB 4.28Å; R222-N246 HydrophobicContact CG-CB 4.02Å
223	W	95.4	Very high	92.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.2	176.7	-59.9	104.1	0	0	0	112.9	L225 H231 Y233 P235 L243 D245 Y247 R249 P251 W258 C259 F260	W223-L225 VanDerWaalsContact C-N 3.29Å; W223-H231 PolarHBondContact O-CE1 2.78Å; W223-H231 VanDerWaalsContact O-CE1 3.24Å; W223-Y233 HydrophobicContact CZ3-CG 4.18Å; W223-P235 HydrophobicContact CB-CG 3.89Å; W223-P235 WeakPolarHBondContact O-CD 3.01Å; W223-L243 HydrophobicContact CB-CB 3.97Å; W223-L243 HydrophobicContact CD2-CB 4.31Å; W223-L243 HydrophobicContact CD2-CD2 3.9Å; W223-L243 HydrophobicContact CD2-CG 4.49Å; W223-L243 HydrophobicContact CE3-CD1 4.36Å; W223-L243 HydrophobicContact CE3-CD2 4.15Å; W223-L243 HydrophobicContact CG-CB 3.87Å; W223-L243 HydrophobicContact CG-CD2 4.32Å; W223-L243 HydrophobicContact CH2-CD2 4.45Å; W223-L243 HydrophobicContact CZ2-CD2 4.23Å; W223-L243 HydrophobicContact CZ3-CD2 4.41Å; W223-D245 PolarHBondContact N-O 2.77Å; W223-Y247 PolarHBondContact NE1-O 2.74Å; W223-R249 HydrophobicContact CZ2-CB 3.97Å; W223-R249 HydrophobicContact CZ2-CG 4.48Å; W223-P251 HydrophobicContact CH2-CG 4.37Å; W223-W258 HydrophobicContact CH2-CE3 4.27Å; W223-W258 HydrophobicContact CH2-CH2 4.12Å; W223-W258 HydrophobicContact CH2-CZ2 4.41Å; W223-W258 HydrophobicContact CH2-CZ3 4.05Å; W223-W258 HydrophobicContact CZ3-CH2 4.13Å; W223-W258 HydrophobicContact CZ3-CZ3 4.28Å; W223-C259 HydrophobicContact CZ2-CB 4.42Å; W223-F260 HydrophobicContact CE3-CD2 4.19Å; W223-F260 HydrophobicContact CE3-CE2 4.25Å; W223-F260 HydrophobicContact CH2-CD2 4.49Å; W223-F260 AromaticContact CZ3-CD2 3.83Å; W223-F260 HydrophobicContact CZ3-CD2 3.83Å; W223-F260 AromaticContact CZ3-CE2 3.71Å; W223-F260 HydrophobicContact CZ3-CE2 3.71Å
224	D	92.3	Very high	92.5	Very high	42 Å²	42	48.4 Å²	48.4	23%	0.225	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.4	175.3	64.8	-2.5	0	0	0	113.7	R222 P235	R222-D224 WeakPolarHBondContact CB-OD1 3.08Å; R222-D224 WeakPolarHBondContact CD-OD1 3.43Å; R222-D224 IonicContact CZ-OD1 2.88Å; R222-D224 IonicContact CZ-OD2 3.64Å; R222-D224 IonicContact NE-OD1 3.01Å; R222-D224 PolarHBondContact NE-OD1 2.82Å; R222-D224 IonicContact NE-OD2 2.8Å; R222-D224 PolarHBondContact NE-OD2 3.39Å; R222-D224 IonicContact NH2-OD1 3.16Å; R222-D224 IonicContact NH2-OD2 3.85Å; R222-D224 PolarHBondContact NH2-OD2 2.86Å; R222-D224 PolarHBondContact O-N 3.13Å; D224-P235 HydrophobicContact CB-CG 4.35Å
225	L	92	Very high	92.2	Very high	26 Å²	26	49.7 Å²	49.7	14%	0.136	27%	0.266	C	S	.	.			trans	-116.2	146.9	177.3	-65.5	178.9	0	0	0	111.3	N21 L23 Q221 R222 W223 H231	N21-L225 HydrophobicContact CB-CD1 4Å; N21-L225 VanDerWaalsContact ND2-CD1 3.34Å; N21-L225 WeakPolarHBondContact ND2-CD1 3.49Å; L23-L225 HydrophobicContact CD1-CD2 4.4Å; Q221-L225 PolarHBondContact NE2-O 3.23Å; R222-L225 HydrophobicContact CB-CB 4.3Å; R222-L225 HydrophobicContact CB-CD1 3.94Å; R222-L225 HydrophobicContact CB-CG 3.93Å; R222-L225 HydrophobicContact CG-CD1 3.93Å; R222-L225 HydrophobicContact CG-CG 4.4Å; R222-L225 PolarHBondContact O-N 2.82Å; W223-L225 VanDerWaalsContact C-N 3.29Å; L225-H231 PolarHBondContact O-NE2 3.01Å; L225-H231 VanDerWaalsContact O-NE2 3.17Å
226	N	89.8	Confident	91.7	Very high	80 Å²	80	49.9 Å²	49.9	43%	0.428	28%	0.278	S	S	.	.			trans	-109.6	22.1	176.3	-77.9	-50.5	0	0	0	112.4	H229 K230 H231	N226-H229 CarbonylContact C-O 3.56Å; N226-H229 WeakPolarHBondContact CA-O 3.1Å; N226-H229 CarbonylContact O-C 3.58Å; N226-K230 HydrophobicContact CB-CG 4.27Å; N226-K230 WeakPolarHBondContact O-CG 3.39Å; N226-H231 PolarHBondContact OD1-N 3.22Å; N226-H231 PolarHBondContact OD1-O 2.88Å
227	E	85.5	Confident	91.2	Very high	138 Å²	138	54.4 Å²	54.4	65%	0.645	29%	0.285	S	S	*	.	S	Bend	trans	-139.4	136.8	-179.2	-68.3	-173.3	173.4	0	0	110.7	Q221	Q221-E227 VanDerWaalsContact CD-O 3.24Å; Q221-E227 VanDerWaalsContact OE1-C 3.27Å; Q221-E227 PolarHBondContact OE1-O 2.75Å
228	P	89.7	Confident	90.6	Very high	61 Å²	61	56 Å²	56	40%	0.396	28%	0.276	S	S	.	.	S	Bend	cis	-69.4	-25	-0.9	29.1	-37.4	0	0	0	114.7	Q221	Q221-P228 VanDerWaalsContact OE1-N 3.17Å
229	H	92.9	Very high	90.2	Very high	17 Å²	17	57.6 Å²	57.6	8%	0.079	29%	0.292	C	S	.	.	S	Bend	trans	-101.7	131.2	-174.6	-55.3	-53.1	0	0	0	111.4	Q221 N226 F260 T261 D263 P264 T266 H267	Q221-H229 PolarHBondContact NE2-O 2.81Å; N226-H229 CarbonylContact C-O 3.56Å; N226-H229 WeakPolarHBondContact CA-O 3.1Å; N226-H229 CarbonylContact O-C 3.58Å; H229-F260 HydrophobicContact CB-CD1 4.31Å; H229-T261 PolarHBondContact CD2-O 3.31Å; H229-T261 PolarHBondContact NE2-O 3.05Å; H229-D263 PolarHBondContact CE1-O 2.93Å; H229-D263 PolarHBondContact NE2-O 2.69Å; H229-P264 PolarHBondContact CE1-O 2.62Å; H229-T266 PolarHBondContact NE2-O 3.49Å; H229-H267 PolarHBondContact CD2-O 2.99Å; H229-H267 VanDerWaalsContact CD2-O 3.23Å; H229-H267 AromaticContact CG-CD2 3.58Å; H229-H267 AromaticContact ND1-CD2 3.57Å
230	K	91.2	Very high	89.5	Confident	176 Å²	176	63.4 Å²	63.4	77%	0.765	32%	0.324	S	S	*	.			trans	-85.2	132.6	173.4	-66.5	-177.8	178.2	176.9	0	109.4	N226	N226-K230 HydrophobicContact CB-CG 4.27Å; N226-K230 WeakPolarHBondContact O-CG 3.39Å
231	H	91.3	Very high	89	Confident	26 Å²	26	66.9 Å²	66.9	12%	0.12	34%	0.339	C	S	.	.			trans	-148.3	165	-178.5	61.5	77.4	0	0	0	113.6	Q221 W223 L225 N226 Y233 F260	Q221-H231 PolarHBondContact NE2-NE2 2.92Å; W223-H231 PolarHBondContact O-CE1 2.78Å; W223-H231 VanDerWaalsContact O-CE1 3.24Å; L225-H231 PolarHBondContact O-NE2 3.01Å; L225-H231 VanDerWaalsContact O-NE2 3.17Å; N226-H231 PolarHBondContact OD1-N 3.22Å; N226-H231 PolarHBondContact OD1-O 2.88Å; H231-Y233 PolarHBondContact ND1-N 2.93Å; H231-F260 HydrophobicContact CB-CD1 4.47Å; H231-F260 HydrophobicContact CB-CD2 4.14Å; H231-F260 HydrophobicContact CB-CE1 3.85Å; H231-F260 HydrophobicContact CB-CE2 3.43Å; H231-F260 VanDerWaalsContact CB-CE2 3.43Å; H231-F260 HydrophobicContact CB-CZ 3.27Å; H231-F260 AromaticContact CD2-CD2 3.29Å; H231-F260 WeakPolarHBondContact CD2-CD2 2.81Å; H231-F260 AromaticContact CD2-CE2 3.48Å; H231-F260 VanDerWaalsContact CD2-CE2 3.48Å; H231-F260 WeakPolarHBondContact CD2-CE2 3.26Å; H231-F260 AromaticContact CD2-CG 3.75Å; H231-F260 AromaticContact CG-CD2 3.63Å; H231-F260 AromaticContact CG-CE2 3.27Å; H231-F260 AromaticContact CG-CZ 3.71Å; H231-F260 AromaticContact ND1-CE2 3.71Å; H231-F260 AromaticContact NE2-CD2 3.62Å
232	S	88.6	Confident	88.7	Confident	54 Å²	54	67 Å²	67	38%	0.378	34%	0.34	S	S	.	.	S	Bend	trans	-86.6	-18.4	-178.7	51.4	0	0	0	0	114.1	H234 R237 Y238	S232-H234 PolarHBondContact O-N 2.81Å; S232-R237 PolarHBondContact O-NH1 3.36Å; S232-Y238 WeakPolarHBondContact O-CE2 3.29Å
233	Y	89.6	Confident	88.6	Confident	45 Å²	45	67 Å²	67	18%	0.176	34%	0.34	C	S	.	.			trans	-75.9	55.9	-176.4	-61.2	-84.6	0	0	0	113.6	W223 H231 Y238 L243 P251 D252 W258 F260	W223-Y233 HydrophobicContact CZ3-CG 4.18Å; H231-Y233 PolarHBondContact ND1-N 2.93Å; Y233-Y238 HydrophobicContact CD1-CE2 4.31Å; Y233-L243 WeakPolarHBondContact O-CD1 3.11Å; Y233-P251 HydrophobicContact CD1-CB 4Å; Y233-P251 HydrophobicContact CD1-CG 3.65Å; Y233-P251 HydrophobicContact CE1-CB 4.16Å; Y233-P251 HydrophobicContact CE1-CG 3.79Å; Y233-P251 HydrophobicContact CG-CG 4.45Å; Y233-D252 HydrophobicContact CE1-CB 4.21Å; Y233-D252 PolarHBondContact OH-OD2 2.75Å; Y233-W258 HydrophobicContact CD2-CH2 4Å; Y233-W258 AromaticContact CE2-CH2 3.84Å; Y233-W258 HydrophobicContact CE2-CH2 3.84Å; Y233-W258 HydrophobicContact CE2-CZ2 4.11Å; Y233-F260 AromaticContact CD2-CE2 3.84Å; Y233-F260 HydrophobicContact CD2-CE2 3.84Å; Y233-F260 AromaticContact CD2-CZ 3.89Å; Y233-F260 HydrophobicContact CD2-CZ 3.89Å; Y233-F260 HydrophobicContact CE2-CZ 4.34Å
234	H	89.4	Confident	88.3	Confident	59 Å²	59	72.5 Å²	72.5	27%	0.273	37%	0.366	S	S	.	.			trans	-82.4	138.3	176	-165.3	-88.3	0	0	0	110.4	S232 S236 R237 Y238	S232-H234 PolarHBondContact O-N 2.81Å; H234-S236 PolarHBondContact CE1-OG 2.86Å; H234-S236 WeakPolarHBondContact ND1-CB 3.2Å; H234-S236 PolarHBondContact ND1-N 3.38Å; H234-S236 PolarHBondContact ND1-OG 3.35Å; H234-S236 VanDerWaalsContact ND1-OG 3.15Å; H234-S236 PolarHBondContact O-N 3.21Å; H234-R237 WeakPolarHBondContact O-CB 2.95Å; H234-R237 PolarHBondContact O-N 2.79Å; H234-Y238 PolarHBondContact O-N 2.78Å
235	P	90.1	Very high	88.3	Confident	30 Å²	30	70.9 Å²	70.9	20%	0.195	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.1	-177.2	-28.2	37	0	0	0	113.5	W223 D224 R237 Y238 P239 L243	W223-P235 HydrophobicContact CB-CG 3.89Å; W223-P235 WeakPolarHBondContact O-CD 3.01Å; D224-P235 HydrophobicContact CB-CG 4.35Å; P235-R237 PolarHBondContact O-N 2.88Å; P235-Y238 CarbonylContact O-C 3.36Å; P235-Y238 PolarHBondContact O-N 3.12Å; P235-P239 WeakPolarHBondContact O-CA 3.26Å; P235-P239 VanDerWaalsContact O-N 3.16Å; P235-L243 HydrophobicContact CB-CB 4.32Å; P235-L243 HydrophobicContact CG-CB 3.99Å; P235-L243 WeakPolarHBondContact CG-O 3.41Å
236	S	84.5	Confident	88.5	Confident	101 Å²	101	69.6 Å²	69.6	71%	0.706	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.1	175.5	-42.9	0	0	0	0	114.6	H234	H234-S236 PolarHBondContact CE1-OG 2.86Å; H234-S236 WeakPolarHBondContact ND1-CB 3.2Å; H234-S236 PolarHBondContact ND1-N 3.38Å; H234-S236 PolarHBondContact ND1-OG 3.35Å; H234-S236 VanDerWaalsContact ND1-OG 3.15Å; H234-S236 PolarHBondContact O-N 3.21Å
237	R	81.7	Confident	88.8	Confident	160 Å²	160	66.5 Å²	66.5	60%	0.604	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-26.4	175.4	-174.5	179.3	-71.4	170.3	-4.3	111.9	S232 H234 P235	S232-R237 PolarHBondContact O-NH1 3.36Å; H234-R237 WeakPolarHBondContact O-CB 2.95Å; H234-R237 PolarHBondContact O-N 2.79Å; P235-R237 PolarHBondContact O-N 2.88Å
238	Y	82.2	Confident	89.3	Confident	84 Å²	84	60 Å²	60	33%	0.329	30%	0.302	S	S	.	.			trans	-131.5	66.6	-178	-57	-79.8	0	0	0	110.8	S232 Y233 H234 P235 D240 K241 L243	S232-Y238 WeakPolarHBondContact O-CE2 3.29Å; Y233-Y238 HydrophobicContact CD1-CE2 4.31Å; H234-Y238 PolarHBondContact O-N 2.78Å; P235-Y238 CarbonylContact O-C 3.36Å; P235-Y238 PolarHBondContact O-N 3.12Å; Y238-D240 VanDerWaalsContact C-N 3.29Å; Y238-D240 PolarHBondContact O-N 3.14Å; Y238-K241 PolarHBondContact O-N 3.47Å; Y238-L243 HydrophobicContact CD2-CD1 4.41Å
239	P	85	Confident	89.7	Confident	89 Å²	89	57.3 Å²	57.3	58%	0.578	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-62.4	-35.5	-175.3	24.8	-33.6	0	0	0	112.7	P235 K241	P235-P239 WeakPolarHBondContact O-CA 3.26Å; P235-P239 VanDerWaalsContact O-N 3.16Å; P239-K241 VanDerWaalsContact C-N 3.3Å; P239-K241 PolarHBondContact O-N 3.07Å
240	D	80.6	Confident	89.6	Confident	141 Å²	141	56.7 Å²	56.7	75%	0.754	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-79.4	-12.6	-175.1	-49.9	-46	0	0	0	113.6	Y238 G242	Y238-D240 VanDerWaalsContact C-N 3.29Å; Y238-D240 PolarHBondContact O-N 3.14Å; D240-G242 VanDerWaalsContact C-N 3.25Å; D240-G242 PolarHBondContact O-N 3.49Å
241	K	84.9	Confident	89.5	Confident	73 Å²	73	48.9 Å²	48.9	32%	0.317	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-84.1	3.4	-178.6	-66.1	-61.3	-167.4	173.4	0	113.5	Y238 P239 L243 P251	Y238-K241 PolarHBondContact O-N 3.47Å; P239-K241 VanDerWaalsContact C-N 3.3Å; P239-K241 PolarHBondContact O-N 3.07Å; K241-L243 VanDerWaalsContact C-N 3.25Å; K241-L243 HydrophobicContact CB-CD2 4.35Å; K241-L243 HydrophobicContact CB-CG 4.02Å; K241-L243 PolarHBondContact O-N 2.81Å; K241-P251 HydrophobicContact CB-CB 4.12Å; K241-P251 HydrophobicContact CD-CB 4.46Å; K241-P251 VanDerWaalsContact CE-O 3.28Å; K241-P251 WeakPolarHBondContact CE-O 3.47Å; K241-P251 HydrophobicContact CG-CB 4.19Å
242	G	89.7	Confident	89	Confident	3 Å²	3	49.8 Å²	49.8	3%	0.031	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	32.2	173.4	0	0	0	0	0	114.2	D240 H244 R249	D240-G242 VanDerWaalsContact C-N 3.25Å; D240-G242 PolarHBondContact O-N 3.49Å; G242-H244 PolarHBondContact O-CD2 2.88Å; G242-H244 PolarHBondContact O-N 3.31Å; G242-R249 PolarHBondContact O-NE 3.1Å
243	L	93.4	Very high	88.5	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.238	C	C	.	.			trans	-72.3	48.9	-177	-60.8	-175.4	0	0	0	112.7	W223 Y233 P235 Y238 K241 R249 P251	W223-L243 HydrophobicContact CB-CB 3.97Å; W223-L243 HydrophobicContact CD2-CB 4.31Å; W223-L243 HydrophobicContact CD2-CD2 3.9Å; W223-L243 HydrophobicContact CD2-CG 4.49Å; W223-L243 HydrophobicContact CE3-CD1 4.36Å; W223-L243 HydrophobicContact CE3-CD2 4.15Å; W223-L243 HydrophobicContact CG-CB 3.87Å; W223-L243 HydrophobicContact CG-CD2 4.32Å; W223-L243 HydrophobicContact CH2-CD2 4.45Å; W223-L243 HydrophobicContact CZ2-CD2 4.23Å; W223-L243 HydrophobicContact CZ3-CD2 4.41Å; Y233-L243 WeakPolarHBondContact O-CD1 3.11Å; P235-L243 HydrophobicContact CB-CB 4.32Å; P235-L243 HydrophobicContact CG-CB 3.99Å; P235-L243 WeakPolarHBondContact CG-O 3.41Å; Y238-L243 HydrophobicContact CD2-CD1 4.41Å; K241-L243 VanDerWaalsContact C-N 3.25Å; K241-L243 HydrophobicContact CB-CD2 4.35Å; K241-L243 HydrophobicContact CB-CG 4.02Å; K241-L243 PolarHBondContact O-N 2.81Å; L243-R249 HydrophobicContact CD2-CB 3.82Å; L243-R249 HydrophobicContact CD2-CG 4.01Å; L243-P251 HydrophobicContact CD2-CB 4.03Å; L243-P251 HydrophobicContact CD2-CG 4.11Å
244	H	89.9	Confident	88.2	Confident	115 Å²	115	49.6 Å²	49.6	53%	0.532	25%	0.247	S	C	.	.			trans	-78.2	139.4	-178.7	-55.7	-62	0	0	0	111.1	G242 N246 Y247	G242-H244 PolarHBondContact O-CD2 2.88Å; G242-H244 PolarHBondContact O-N 3.31Å; H244-N246 PolarHBondContact O-N 2.75Å; H244-Y247 HydrophobicContact CB-CD2 4.44Å; H244-Y247 WeakPolarHBondContact O-CD2 3.25Å; H244-Y247 PolarHBondContact O-N 3.44Å
245	D	92.8	Very high	87.9	Confident	8 Å²	8	50 Å²	50	4%	0.043	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-126.6	178.4	-57.1	-48.7	0	0	0	112.6	Q27 K28 R222 W223 Y247	Q27-D245 WeakPolarHBondContact CA-OD2 3.16Å; Q27-D245 WeakPolarHBondContact CG-OD2 3.25Å; K28-D245 WeakPolarHBondContact CB-OD1 3.2Å; K28-D245 PolarHBondContact N-OD1 3.12Å; K28-D245 PolarHBondContact N-OD2 2.77Å; R222-D245 CarbonylContact C-O 3.59Å; R222-D245 WeakPolarHBondContact CA-O 3.01Å; R222-D245 WeakPolarHBondContact CB-O 3.39Å; R222-D245 IonicContact CZ-OD1 2.95Å; R222-D245 IonicContact NH1-OD1 2.9Å; R222-D245 PolarHBondContact NH1-OD1 3.02Å; R222-D245 IonicContact NH2-OD1 2.93Å; R222-D245 PolarHBondContact NH2-OD1 3.46Å; W223-D245 PolarHBondContact N-O 2.77Å; D245-Y247 HydrophobicContact CB-CD2 4.09Å; D245-Y247 HydrophobicContact CB-CE2 3.85Å; D245-Y247 WeakPolarHBondContact OD2-CE2 3.45Å
246	N	95.3	Very high	87.8	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	25.5	177.1	67.9	-23.7	0	0	0	111.6	Q24 K108 D212 C220 Q221 R222 H244	Q24-N246 PolarHBondContact OE1-ND2 3.33Å; K108-N246 PolarHBondContact NZ-OD1 2.77Å; D212-N246 WeakPolarHBondContact CB-OD1 3.29Å; D212-N246 PolarHBondContact OD2-OD1 2.7Å; C220-N246 HydrophobicContact CB-CB 3.97Å; C220-N246 WeakPolarHBondContact CB-O 3.27Å; C220-N246 WeakPolarHBondContact O-CB 3.28Å; C220-N246 PolarHBondContact O-ND2 2.9Å; Q221-N246 VanDerWaalsContact C-CB 3.41Å; Q221-N246 WeakPolarHBondContact O-CB 3.35Å; R222-N246 HydrophobicContact CB-CB 4.28Å; R222-N246 HydrophobicContact CG-CB 4.02Å; H244-N246 PolarHBondContact O-N 2.75Å
247	Y	96	Very high	88.3	Confident	15 Å²	15	47.2 Å²	47.2	6%	0.059	22%	0.219	C	C	.	.			trans	-68.8	145.8	179.9	-60.8	-62.7	0	0	0	111.1	R112 P210 M211 D212 W223 H244 D245 R249	R112-Y247 PolarHBondContact NH2-OH 2.03Å; P210-Y247 VanDerWaalsContact C-CD1 3.42Å; P210-Y247 HydrophobicContact CB-CE1 4.07Å; P210-Y247 VanDerWaalsContact O-CD1 3.31Å; P210-Y247 WeakPolarHBondContact O-CD1 3.35Å; P210-Y247 VanDerWaalsContact O-CE1 3.3Å; P210-Y247 WeakPolarHBondContact O-CE1 3.42Å; M211-Y247 CarbonylContact O-C 3.42Å; M211-Y247 VanDerWaalsContact O-CA 3.32Å; M211-Y247 WeakPolarHBondContact O-CA 3.14Å; D212-Y247 HydrophobicContact CB-CD1 4.1Å; W223-Y247 PolarHBondContact NE1-O 2.74Å; H244-Y247 HydrophobicContact CB-CD2 4.44Å; H244-Y247 WeakPolarHBondContact O-CD2 3.25Å; H244-Y247 PolarHBondContact O-N 3.44Å; D245-Y247 HydrophobicContact CB-CD2 4.09Å; D245-Y247 HydrophobicContact CB-CE2 3.85Å; D245-Y247 WeakPolarHBondContact OD2-CE2 3.45Å; Y247-R249 VanDerWaalsContact CB-NH1 3.3Å; Y247-R249 PolarHBondContact O-N 2.98Å
248	C	97	Very high	89	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.191	C	C	.	.			trans	-59.4	129.7	172.6	-60.3	0	0	0	0	110	Y207 M211 C220 P257 C271 I273	Y207-C248 WeakPolarHBondContact CD1-O 3.12Å; Y207-C248 HydrophobicContact CE1-CB 4.48Å; M211-C248 PolarHBondContact O-N 3.41Å; M211-C248 PolarHBondContact O-SG 3.34Å; M211-C248 VanDerWaalsContact O-SG 3.38Å; C220-C248 VanDerWaalsContact SG-SG 3.68Å; C248-P257 HydrophobicContact CB-CB 4.19Å; C248-C271 HydrophobicContact CB-CB 3.59Å; C248-C271 WeakPolarHBondContact CB-SG 3.37Å; C248-C271 WeakPolarHBondContact SG-CB 3.49Å; C248-C271 CovalentContact SG-SG 2.02Å; C248-C271 PolarHBondContact SG-SG 3.2Å; C248-I273 HydrophobicContact CB-CD1 4.17Å
249	R	96.6	Very high	89.7	Confident	6 Å²	6	35.9 Å²	35.9	2%	0.023	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-141.7	162	-179.4	-65.7	-64.6	178.1	-104.7	7.8	109.6	Y207 R208 G209 W223 G242 L243 Y247 P251 W258	Y207-R249 WeakPolarHBondContact O-CD 3.47Å; R208-R249 PolarHBondContact O-NH2 3.28Å; G209-R249 PolarHBondContact O-NH1 3.43Å; W223-R249 HydrophobicContact CZ2-CB 3.97Å; W223-R249 HydrophobicContact CZ2-CG 4.48Å; G242-R249 PolarHBondContact O-NE 3.1Å; L243-R249 HydrophobicContact CD2-CB 3.82Å; L243-R249 HydrophobicContact CD2-CG 4.01Å; Y247-R249 VanDerWaalsContact CB-NH1 3.3Å; Y247-R249 PolarHBondContact O-N 2.98Å; R249-P251 VanDerWaalsContact C-CD 3.4Å; R249-P251 WeakPolarHBondContact O-CD 3.29Å; R249-W258 PolarHBondContact N-O 2.69Å; R249-W258 PolarHBondContact O-N 2.84Å
250	N	92.5	Very high	90.3	Very high	3 Å²	3	32 Å²	32	2%	0.016	15%	0.149	C	C	.	.			trans	-121.3	71.8	173.2	-167.8	4.4	0	0	0	110.1	N203 E205 D252 G253 R254 P257	N203-N250 PolarHBondContact O-ND2 3.14Å; E205-N250 HydrophobicContact CG-CB 4.3Å; N250-D252 PolarHBondContact O-N 3.2Å; N250-D252 PolarHBondContact OD1-OD1 3.43Å; N250-G253 PolarHBondContact OD1-N 3.15Å; N250-R254 PolarHBondContact ND2-O 3.25Å; N250-R254 PolarHBondContact OD1-N 3.23Å; N250-P257 HydrophobicContact CB-CB 4.5Å; N250-P257 HydrophobicContact CB-CG 4.44Å
251	P	88.8	Confident	91	Very high	12 Å²	12	25.3 Å²	25.3	8%	0.078	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.4	-175.5	29	-34.9	0	0	0	114.1	W223 Y233 K241 L243 R249 W258	W223-P251 HydrophobicContact CH2-CG 4.37Å; Y233-P251 HydrophobicContact CD1-CB 4Å; Y233-P251 HydrophobicContact CD1-CG 3.65Å; Y233-P251 HydrophobicContact CE1-CB 4.16Å; Y233-P251 HydrophobicContact CE1-CG 3.79Å; Y233-P251 HydrophobicContact CG-CG 4.45Å; K241-P251 HydrophobicContact CB-CB 4.12Å; K241-P251 HydrophobicContact CD-CB 4.46Å; K241-P251 VanDerWaalsContact CE-O 3.28Å; K241-P251 WeakPolarHBondContact CE-O 3.47Å; K241-P251 HydrophobicContact CG-CB 4.19Å; L243-P251 HydrophobicContact CD2-CB 4.03Å; L243-P251 HydrophobicContact CD2-CG 4.11Å; R249-P251 VanDerWaalsContact C-CD 3.4Å; R249-P251 WeakPolarHBondContact O-CD 3.29Å; P251-W258 HydrophobicContact CG-CZ2 4.19Å
252	D	81.2	Confident	91.5	Very high	45 Å²	45	23.7 Å²	23.7	24%	0.241	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	15.7	-171	63.9	-20.2	0	0	0	114	Y233 N250 R254 W258	Y233-D252 HydrophobicContact CE1-CB 4.21Å; Y233-D252 PolarHBondContact OH-OD2 2.75Å; N250-D252 PolarHBondContact O-N 3.2Å; N250-D252 PolarHBondContact OD1-OD1 3.43Å; D252-R254 VanDerWaalsContact C-N 3.28Å; D252-R254 PolarHBondContact O-N 2.9Å; D252-R254 WeakPolarHBondContact OD1-CG 3.32Å; D252-R254 IonicContact OD1-NE 3.8Å; D252-R254 IonicContact OD2-CZ 3.44Å; D252-R254 IonicContact OD2-NE 3.22Å; D252-R254 PolarHBondContact OD2-NE 3.45Å; D252-R254 IonicContact OD2-NH2 2.75Å; D252-R254 PolarHBondContact OD2-NH2 2.74Å; D252-W258 PolarHBondContact OD1-NE1 3.45Å
253	G	78.1	Confident	91.6	Very high	4 Å²	4	25.6 Å²	25.6	4%	0.041	12%	0.119	C	C	.	.			trans	67.6	23.5	172.8	0	0	0	0	0	114.7	E205 N250	E205-G253 WeakPolarHBondContact OE1-CA 3.25Å; N250-G253 PolarHBondContact OD1-N 3.15Å
254	R	82.9	Confident	91.5	Very high	92 Å²	92	30 Å²	30	35%	0.347	15%	0.148	S	C	.	.			trans	-63	177	174.9	-75.3	-176.1	-167.4	-87.9	-16.7	111.9	N203 N250 D252 R256 Y270	N203-R254 WeakPolarHBondContact CB-O 3.34Å; N203-R254 PolarHBondContact ND2-O 2.94Å; N203-R254 VanDerWaalsContact ND2-O 3.13Å; N250-R254 PolarHBondContact ND2-O 3.25Å; N250-R254 PolarHBondContact OD1-N 3.23Å; D252-R254 VanDerWaalsContact C-N 3.28Å; D252-R254 PolarHBondContact O-N 2.9Å; D252-R254 WeakPolarHBondContact OD1-CG 3.32Å; D252-R254 IonicContact OD1-NE 3.8Å; D252-R254 IonicContact OD2-CZ 3.44Å; D252-R254 IonicContact OD2-NE 3.22Å; D252-R254 PolarHBondContact OD2-NE 3.45Å; D252-R254 IonicContact OD2-NH2 2.75Å; D252-R254 PolarHBondContact OD2-NH2 2.74Å; R254-R256 VanDerWaalsContact C-N 3.32Å; R254-R256 PolarHBondContact O-N 3.37Å; R254-Y270 HydrophobicContact CB-CE1 4.27Å
255	H	81.8	Confident	91.7	Very high	67 Å²	67	31.7 Å²	31.7	31%	0.31	16%	0.161	S	C	.	.	S	Bend	trans	-58.1	-39.3	-179.3	-179.2	-156.3	0	0	0	113.4	N203 A334 Y335	N203-H255 WeakPolarHBondContact CB-O 3.29Å; H255-A334 PolarHBondContact CD2-O 3.07Å; H255-A334 PolarHBondContact NE2-O 3Å; H255-Y335 PolarHBondContact N-OH 3.28Å
256	R	88.6	Confident	91.7	Very high	73 Å²	73	32.7 Å²	32.7	28%	0.275	17%	0.167	S	C	.	.	S	Bend	trans	-149	162.9	-178.9	-66.6	-173.4	-69.5	167.7	8.6	110.6	N203 E215 R254 Y270	N203-R256 WeakPolarHBondContact O-CA 3.34Å; E215-R256 IonicContact OE2-NH2 3.93Å; E215-R256 PolarHBondContact OE2-NH2 2.95Å; E215-R256 VanDerWaalsContact OE2-NH2 3.16Å; R254-R256 VanDerWaalsContact C-N 3.32Å; R254-R256 PolarHBondContact O-N 3.37Å; R256-Y270 HydrophobicContact CB-CD1 4Å; R256-Y270 HydrophobicContact CB-CE1 4.43Å; R256-Y270 WeakPolarHBondContact O-CD1 3.4Å; R256-Y270 WeakPolarHBondContact O-CE1 3.34Å
257	P	94.9	Very high	91.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.			trans	-57.6	142.2	172.5	-23.2	35	0	0	0	112.1	I200 N203 Y207 C248 N250 C271 I273	I200-P257 HydrophobicContact CG2-CG 3.89Å; N203-P257 WeakPolarHBondContact O-CD 3.42Å; Y207-P257 HydrophobicContact CD1-CB 4.37Å; Y207-P257 HydrophobicContact CD1-CG 4.29Å; Y207-P257 HydrophobicContact CG-CG 4.37Å; C248-P257 HydrophobicContact CB-CB 4.19Å; N250-P257 HydrophobicContact CB-CB 4.5Å; N250-P257 HydrophobicContact CB-CG 4.44Å; P257-C271 PolarHBondContact O-N 2.56Å; P257-I273 HydrophobicContact CB-CD1 3.73Å; P257-I273 HydrophobicContact CG-CD1 3.8Å
258	W	96.2	Very high	91.6	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.023	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	172	-175.7	63.2	-86.6	0	0	0	110.2	W223 Y233 R249 P251 D252 F260 W268 E269 Y270	W223-W258 HydrophobicContact CH2-CE3 4.27Å; W223-W258 HydrophobicContact CH2-CH2 4.12Å; W223-W258 HydrophobicContact CH2-CZ2 4.41Å; W223-W258 HydrophobicContact CH2-CZ3 4.05Å; W223-W258 HydrophobicContact CZ3-CH2 4.13Å; W223-W258 HydrophobicContact CZ3-CZ3 4.28Å; Y233-W258 HydrophobicContact CD2-CH2 4Å; Y233-W258 AromaticContact CE2-CH2 3.84Å; Y233-W258 HydrophobicContact CE2-CH2 3.84Å; Y233-W258 HydrophobicContact CE2-CZ2 4.11Å; R249-W258 PolarHBondContact N-O 2.69Å; R249-W258 PolarHBondContact O-N 2.84Å; P251-W258 HydrophobicContact CG-CZ2 4.19Å; D252-W258 PolarHBondContact OD1-NE1 3.45Å; W258-F260 HydrophobicContact CH2-CD2 4.43Å; W258-F260 HydrophobicContact CH2-CE1 4.37Å; W258-F260 AromaticContact CH2-CE2 3.69Å; W258-F260 HydrophobicContact CH2-CE2 3.69Å; W258-F260 AromaticContact CH2-CZ 3.64Å; W258-F260 HydrophobicContact CH2-CZ 3.64Å; W258-F260 HydrophobicContact CZ3-CD1 4.3Å; W258-F260 AromaticContact CZ3-CD2 3.92Å; W258-F260 HydrophobicContact CZ3-CD2 3.92Å; W258-F260 AromaticContact CZ3-CE1 3.99Å; W258-F260 HydrophobicContact CZ3-CE1 3.99Å; W258-F260 AromaticContact CZ3-CE2 3.6Å; W258-F260 HydrophobicContact CZ3-CE2 3.6Å; W258-F260 HydrophobicContact CZ3-CG 4.25Å; W258-F260 AromaticContact CZ3-CZ 3.62Å; W258-F260 HydrophobicContact CZ3-CZ 3.62Å; W258-W268 HydrophobicContact CB-CE3 4.11Å; W258-W268 HydrophobicContact CB-CZ3 4.38Å; W258-W268 HydrophobicContact CD2-CE3 4.3Å; W258-W268 HydrophobicContact CE3-CB 3.88Å; W258-W268 HydrophobicContact CE3-CD2 4.41Å; W258-W268 HydrophobicContact CE3-CE3 4.15Å; W258-W268 HydrophobicContact CE3-CG 4.33Å; W258-W268 HydrophobicContact CG-CE3 4.31Å; W258-W268 HydrophobicContact CZ3-CB 3.99Å; W258-W268 HydrophobicContact CZ3-CG 4.46Å; W258-E269 WeakPolarHBondContact CA-O 3.5Å; W258-E269 WeakPolarHBondContact CB-O 3.49Å; W258-Y270 HydrophobicContact CB-CD1 3.93Å; W258-Y270 HydrophobicContact CB-CE1 4.36Å
259	C	97.7	Very high	91.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.2	171	67.1	0	0	0	0	110.6	C220 W223 W268 E269	C220-C259 VanDerWaalsContact CA-SG 3.51Å; C220-C259 HydrophobicContact CB-CB 3.54Å; C220-C259 WeakPolarHBondContact CB-SG 3.43Å; C220-C259 WeakPolarHBondContact SG-CB 3.2Å; C220-C259 CovalentContact SG-SG 2.02Å; C220-C259 PolarHBondContact SG-SG 2.74Å; W223-C259 HydrophobicContact CZ2-CB 4.42Å; C259-W268 VanDerWaalsContact O-CA 3.28Å; C259-W268 WeakPolarHBondContact O-CA 3.4Å; C259-W268 WeakPolarHBondContact O-CB 3.4Å; C259-E269 PolarHBondContact N-O 3.11Å; C259-E269 VanDerWaalsContact N-O 3.15Å; C259-E269 PolarHBondContact O-N 3.14Å; C259-E269 VanDerWaalsContact O-N 3.08Å
260	F	97.3	Very high	91.5	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	145.2	160.7	-66.4	-75.5	0	0	0	108.6	C220 Q221 W223 H229 H231 Y233 W258 H267 W268	C220-F260 CarbonylContact C-O 3.49Å; C220-F260 WeakPolarHBondContact CA-O 3.22Å; Q221-F260 HydrophobicContact CB-CB 3.92Å; Q221-F260 PolarHBondContact N-O 2.87Å; W223-F260 HydrophobicContact CE3-CD2 4.19Å; W223-F260 HydrophobicContact CE3-CE2 4.25Å; W223-F260 HydrophobicContact CH2-CD2 4.49Å; W223-F260 AromaticContact CZ3-CD2 3.83Å; W223-F260 HydrophobicContact CZ3-CD2 3.83Å; W223-F260 AromaticContact CZ3-CE2 3.71Å; W223-F260 HydrophobicContact CZ3-CE2 3.71Å; H229-F260 HydrophobicContact CB-CD1 4.31Å; H231-F260 HydrophobicContact CB-CD1 4.47Å; H231-F260 HydrophobicContact CB-CD2 4.14Å; H231-F260 HydrophobicContact CB-CE1 3.85Å; H231-F260 HydrophobicContact CB-CE2 3.43Å; H231-F260 VanDerWaalsContact CB-CE2 3.43Å; H231-F260 HydrophobicContact CB-CZ 3.27Å; H231-F260 AromaticContact CD2-CD2 3.29Å; H231-F260 WeakPolarHBondContact CD2-CD2 2.81Å; H231-F260 AromaticContact CD2-CE2 3.48Å; H231-F260 VanDerWaalsContact CD2-CE2 3.48Å; H231-F260 WeakPolarHBondContact CD2-CE2 3.26Å; H231-F260 AromaticContact CD2-CG 3.75Å; H231-F260 AromaticContact CG-CD2 3.63Å; H231-F260 AromaticContact CG-CE2 3.27Å; H231-F260 AromaticContact CG-CZ 3.71Å; H231-F260 AromaticContact ND1-CE2 3.71Å; H231-F260 AromaticContact NE2-CD2 3.62Å; Y233-F260 AromaticContact CD2-CE2 3.84Å; Y233-F260 HydrophobicContact CD2-CE2 3.84Å; Y233-F260 AromaticContact CD2-CZ 3.89Å; Y233-F260 HydrophobicContact CD2-CZ 3.89Å; Y233-F260 HydrophobicContact CE2-CZ 4.34Å; W258-F260 HydrophobicContact CH2-CD2 4.43Å; W258-F260 HydrophobicContact CH2-CE1 4.37Å; W258-F260 AromaticContact CH2-CE2 3.69Å; W258-F260 HydrophobicContact CH2-CE2 3.69Å; W258-F260 AromaticContact CH2-CZ 3.64Å; W258-F260 HydrophobicContact CH2-CZ 3.64Å; W258-F260 HydrophobicContact CZ3-CD1 4.3Å; W258-F260 AromaticContact CZ3-CD2 3.92Å; W258-F260 HydrophobicContact CZ3-CD2 3.92Å; W258-F260 AromaticContact CZ3-CE1 3.99Å; W258-F260 HydrophobicContact CZ3-CE1 3.99Å; W258-F260 AromaticContact CZ3-CE2 3.6Å; W258-F260 HydrophobicContact CZ3-CE2 3.6Å; W258-F260 HydrophobicContact CZ3-CG 4.25Å; W258-F260 AromaticContact CZ3-CZ 3.62Å; W258-F260 HydrophobicContact CZ3-CZ 3.62Å; F260-H267 WeakPolarHBondContact CA-O 3.46Å; F260-H267 WeakPolarHBondContact CD1-O 3.48Å; F260-H267 AromaticContact CE1-CE1 3.48Å; F260-H267 VanDerWaalsContact CE1-CE1 3.48Å; F260-H267 WeakPolarHBondContact CE1-CE1 3.48Å; F260-H267 AromaticContact CE1-ND1 3.94Å; F260-H267 AromaticContact CE1-NE2 3.95Å; F260-W268 HydrophobicContact CD1-CB 4.14Å; F260-W268 HydrophobicContact CE1-CB 4.46Å
261	T	96.4	Very high	91.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-98.7	158.9	-178.6	94	0	0	0	0	111.6	T214 K218 H229 D263 T266 H267 E269	T214-T261 HydrophobicContact CG2-CG2 3.92Å; K218-T261 HydrophobicContact CD-CG2 4.34Å; H229-T261 PolarHBondContact CD2-O 3.31Å; H229-T261 PolarHBondContact NE2-O 3.05Å; T261-D263 WeakPolarHBondContact OG1-CB 3.13Å; T261-D263 PolarHBondContact OG1-N 3.44Å; T261-D263 VanDerWaalsContact OG1-N 3.08Å; T261-D263 PolarHBondContact OG1-O 2.98Å; T261-T266 WeakPolarHBondContact CB-O 3.36Å; T261-T266 HydrophobicContact CG2-CG2 3.7Å; T261-T266 PolarHBondContact OG1-O 3.22Å; T261-H267 PolarHBondContact N-O 3.04Å; T261-E269 HydrophobicContact CG2-CB 3.99Å
262	T	94.3	Very high	92	Very high	39 Å²	39	48.1 Å²	48.1	24%	0.239	24%	0.237	C	C	.	.	S	Bend	trans	-78.5	-8.6	170.6	52.5	0	0	0	0	113.3	Q24 E219 P264	Q24-T262 HydrophobicContact CG-CG2 4.41Å; E219-T262 HydrophobicContact CB-CG2 4.4Å; E219-T262 HydrophobicContact CG-CG2 4.24Å; E219-T262 WeakPolarHBondContact O-CG2 3.49Å; E219-T262 PolarHBondContact O-N 2.73Å; E219-T262 PolarHBondContact O-OG1 2.8Å; T262-P264 WeakPolarHBondContact O-CD 3.49Å
263	D	93	Very high	92.6	Very high	43 Å²	43	46.4 Å²	46.4	23%	0.23	23%	0.227	C	C	.	.	S	Bend	trans	-78.6	120.7	174.6	171.9	16.1	0	0	0	109.7	K218 H229 T261 N265 T266	K218-D263 HydrophobicContact CD-CB 4.1Å; H229-D263 PolarHBondContact CE1-O 2.93Å; H229-D263 PolarHBondContact NE2-O 2.69Å; T261-D263 WeakPolarHBondContact OG1-CB 3.13Å; T261-D263 PolarHBondContact OG1-N 3.44Å; T261-D263 VanDerWaalsContact OG1-N 3.08Å; T261-D263 PolarHBondContact OG1-O 2.98Å; D263-N265 PolarHBondContact O-N 3.08Å; D263-N265 VanDerWaalsContact O-N 3.12Å; D263-N265 PolarHBondContact OD1-N 3.09Å; D263-N265 PolarHBondContact OD1-ND2 3.22Å; D263-T266 PolarHBondContact O-N 2.91Å; D263-T266 VanDerWaalsContact O-O 3.07Å; D263-T266 PolarHBondContact OD2-OG1 3.01Å
264	P	91	Very high	93.3	Very high	96 Å²	96	50.4 Å²	50.4	62%	0.623	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.7	177.7	-24.5	34.8	0	0	0	114.5	H229 T262	H229-P264 PolarHBondContact CE1-O 2.62Å; T262-P264 WeakPolarHBondContact O-CD 3.49Å
265	N	92.6	Very high	93.5	Very high	150 Å²	150	49.6 Å²	49.6	80%	0.802	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-22.3	-178.5	-58.1	-53.7	0	0	0	113	D263	D263-N265 PolarHBondContact O-N 3.08Å; D263-N265 VanDerWaalsContact O-N 3.12Å; D263-N265 PolarHBondContact OD1-N 3.09Å; D263-N265 PolarHBondContact OD1-ND2 3.22Å
266	T	93.1	Very high	93.7	Very high	29 Å²	29	47.1 Å²	47.1	18%	0.178	24%	0.239	C	C	.	.			trans	-109.6	100.9	-179.4	-51.9	0	0	0	0	109	K218 H229 T261 D263 W268 E269	K218-T266 HydrophobicContact CD-CG2 4.11Å; K218-T266 VanDerWaalsContact CE-OG1 3.26Å; K218-T266 WeakPolarHBondContact CE-OG1 3.29Å; K218-T266 PolarHBondContact NZ-OG1 2.75Å; H229-T266 PolarHBondContact NE2-O 3.49Å; T261-T266 WeakPolarHBondContact CB-O 3.36Å; T261-T266 HydrophobicContact CG2-CG2 3.7Å; T261-T266 PolarHBondContact OG1-O 3.22Å; D263-T266 PolarHBondContact O-N 2.91Å; D263-T266 VanDerWaalsContact O-O 3.07Å; D263-T266 PolarHBondContact OD2-OG1 3.01Å; T266-W268 PolarHBondContact O-N 2.96Å; T266-E269 HydrophobicContact CG2-CB 4.28Å
267	H	93	Very high	92.9	Very high	93 Å²	93	50.1 Å²	50.1	43%	0.431	26%	0.256	S	S	.	.			trans	-59.8	-50.1	-176.3	-172.5	-117.2	0	0	0	112.5	H229 F260 T261	H229-H267 PolarHBondContact CD2-O 2.99Å; H229-H267 VanDerWaalsContact CD2-O 3.23Å; H229-H267 AromaticContact CG-CD2 3.58Å; H229-H267 AromaticContact ND1-CD2 3.57Å; F260-H267 WeakPolarHBondContact CA-O 3.46Å; F260-H267 WeakPolarHBondContact CD1-O 3.48Å; F260-H267 AromaticContact CE1-CE1 3.48Å; F260-H267 VanDerWaalsContact CE1-CE1 3.48Å; F260-H267 WeakPolarHBondContact CE1-CE1 3.48Å; F260-H267 AromaticContact CE1-ND1 3.94Å; F260-H267 AromaticContact CE1-NE2 3.95Å; T261-H267 PolarHBondContact N-O 3.04Å
268	W	96.1	Very high	91.2	Very high	87 Å²	87	54.6 Å²	54.6	33%	0.33	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.1	176.8	68.2	-82.5	0	0	0	110	W258 C259 F260 T266 Y270	W258-W268 HydrophobicContact CB-CE3 4.11Å; W258-W268 HydrophobicContact CB-CZ3 4.38Å; W258-W268 HydrophobicContact CD2-CE3 4.3Å; W258-W268 HydrophobicContact CE3-CB 3.88Å; W258-W268 HydrophobicContact CE3-CD2 4.41Å; W258-W268 HydrophobicContact CE3-CE3 4.15Å; W258-W268 HydrophobicContact CE3-CG 4.33Å; W258-W268 HydrophobicContact CG-CE3 4.31Å; W258-W268 HydrophobicContact CZ3-CB 3.99Å; W258-W268 HydrophobicContact CZ3-CG 4.46Å; C259-W268 VanDerWaalsContact O-CA 3.28Å; C259-W268 WeakPolarHBondContact O-CA 3.4Å; C259-W268 WeakPolarHBondContact O-CB 3.4Å; F260-W268 HydrophobicContact CD1-CB 4.14Å; F260-W268 HydrophobicContact CE1-CB 4.46Å; T266-W268 PolarHBondContact O-N 2.96Å; W268-Y270 HydrophobicContact CH2-CE2 4Å; W268-Y270 AromaticContact CH2-CZ 3.93Å; W268-Y270 HydrophobicContact CZ3-CD1 4.29Å; W268-Y270 HydrophobicContact CZ3-CD2 4.18Å; W268-Y270 AromaticContact CZ3-CE1 3.98Å; W268-Y270 HydrophobicContact CZ3-CE1 3.98Å; W268-Y270 AromaticContact CZ3-CE2 3.89Å; W268-Y270 HydrophobicContact CZ3-CE2 3.89Å; W268-Y270 HydrophobicContact CZ3-CG 4.37Å; W268-Y270 AromaticContact CZ3-CZ 3.77Å
269	E	97.2	Very high	89.1	Confident	32 Å²	32	57 Å²	57	15%	0.15	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	156.3	178.8	-172.7	173	-158	0	0	111	T214 E215 S216 K218 W258 C259 T261 T266	T214-E269 VanDerWaalsContact CB-OE2 3.29Å; T214-E269 WeakPolarHBondContact CB-OE2 3.18Å; T214-E269 HydrophobicContact CG2-CB 3.73Å; T214-E269 HydrophobicContact CG2-CG 4.25Å; T214-E269 PolarHBondContact OG1-OE2 2.94Å; E215-E269 HydrophobicContact CG-CG 4.36Å; S216-E269 WeakPolarHBondContact CB-OE1 3.31Å; S216-E269 PolarHBondContact OG-OE1 3.27Å; S216-E269 PolarHBondContact OG-OE2 2.03Å; S216-E269 VanDerWaalsContact OG-OE2 3.05Å; K218-E269 WeakPolarHBondContact CD-OE2 3.3Å; K218-E269 IonicContact NZ-OE1 2.95Å; K218-E269 IonicContact NZ-OE2 2.74Å; K218-E269 PolarHBondContact NZ-OE2 3.04Å; K218-E269 VanDerWaalsContact NZ-OE2 3.16Å; W258-E269 WeakPolarHBondContact CA-O 3.5Å; W258-E269 WeakPolarHBondContact CB-O 3.49Å; C259-E269 PolarHBondContact N-O 3.11Å; C259-E269 VanDerWaalsContact N-O 3.15Å; C259-E269 PolarHBondContact O-N 3.14Å; C259-E269 VanDerWaalsContact O-N 3.08Å; T261-E269 HydrophobicContact CG2-CB 3.99Å; T266-E269 HydrophobicContact CG2-CB 4.28Å
270	Y	96.1	Very high	86.7	Confident	51 Å²	51	61.9 Å²	61.9	20%	0.2	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	155.2	175.2	-70.9	-63.8	0	0	0	112.1	T214 E215 R254 R256 W258 W268	T214-Y270 WeakPolarHBondContact CA-O 3.3Å; T214-Y270 WeakPolarHBondContact CB-O 3.36Å; E215-Y270 PolarHBondContact N-O 3.08Å; R254-Y270 HydrophobicContact CB-CE1 4.27Å; R256-Y270 HydrophobicContact CB-CD1 4Å; R256-Y270 HydrophobicContact CB-CE1 4.43Å; R256-Y270 WeakPolarHBondContact O-CD1 3.4Å; R256-Y270 WeakPolarHBondContact O-CE1 3.34Å; W258-Y270 HydrophobicContact CB-CD1 3.93Å; W258-Y270 HydrophobicContact CB-CE1 4.36Å; W268-Y270 HydrophobicContact CH2-CE2 4Å; W268-Y270 AromaticContact CH2-CZ 3.93Å; W268-Y270 HydrophobicContact CZ3-CD1 4.29Å; W268-Y270 HydrophobicContact CZ3-CD2 4.18Å; W268-Y270 AromaticContact CZ3-CE1 3.98Å; W268-Y270 HydrophobicContact CZ3-CE1 3.98Å; W268-Y270 AromaticContact CZ3-CE2 3.89Å; W268-Y270 HydrophobicContact CZ3-CE2 3.89Å; W268-Y270 HydrophobicContact CZ3-CG 4.37Å; W268-Y270 AromaticContact CZ3-CZ 3.77Å
271	C	96.2	Very high	84.1	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.007	37%	0.369	C	S	.	.			trans	-105.3	139	174.1	-56.1	0	0	0	0	110.8	M211 C248 P257 I273	M211-C271 HydrophobicContact CG-CB 4.38Å; C248-C271 HydrophobicContact CB-CB 3.59Å; C248-C271 WeakPolarHBondContact CB-SG 3.37Å; C248-C271 WeakPolarHBondContact SG-CB 3.49Å; C248-C271 CovalentContact SG-SG 2.02Å; C248-C271 PolarHBondContact SG-SG 3.2Å; P257-C271 PolarHBondContact O-N 2.56Å; C271-I273 HydrophobicContact CB-CD1 4.03Å; C271-I273 HydrophobicContact CB-CG1 4.21Å; C271-I273 PolarHBondContact O-N 3.1Å
272	N	94.4	Very high	81.2	Confident	96 Å²	96	74 Å²	74	51%	0.513	39%	0.385	S	S	.	.			trans	-87.9	97.5	176.3	-172.6	14.2	0	0	0	110.2	S195 E215	S195-N272 WeakPolarHBondContact CB-O 3.41Å; E215-N272 HydrophobicContact CB-CB 3.85Å
273	I	94.3	Very high	78.6	Confident	8 Å²	8	82.1 Å²	82.1	4%	0.041	42%	0.42	C	S	.	.			trans	-118.3	139.9	-178.4	-57.4	156.1	0	0	0	109	I200 Y207 M211 C248 P257 C271	I200-I273 HydrophobicContact CG2-CB 3.93Å; I200-I273 HydrophobicContact CG2-CD1 4.24Å; I200-I273 HydrophobicContact CG2-CG2 3.67Å; Y207-I273 HydrophobicContact CD1-CD1 3.85Å; Y207-I273 HydrophobicContact CD2-CG2 4.21Å; Y207-I273 HydrophobicContact CE1-CD1 3.49Å; Y207-I273 VanDerWaalsContact CE1-CD1 3.49Å; Y207-I273 HydrophobicContact CE1-CG1 4.41Å; Y207-I273 HydrophobicContact CE2-CD1 4.19Å; Y207-I273 HydrophobicContact CE2-CG2 3.6Å; Y207-I273 HydrophobicContact CG-CD1 4.35Å; M211-I273 HydrophobicContact CB-CD1 4.39Å; M211-I273 HydrophobicContact CB-CG1 4.1Å; M211-I273 HydrophobicContact CG-CG1 4.03Å; C248-I273 HydrophobicContact CB-CD1 4.17Å; P257-I273 HydrophobicContact CB-CD1 3.73Å; P257-I273 HydrophobicContact CG-CD1 3.8Å; C271-I273 HydrophobicContact CB-CD1 4.03Å; C271-I273 HydrophobicContact CB-CG1 4.21Å; C271-I273 PolarHBondContact O-N 3.1Å
274	K	91.8	Very high	76	Confident	89 Å²	89	85 Å²	85	39%	0.387	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-58.7	135.3	-179.9	-179.7	179.4	178.4	-176.3	0	110.5	S195 C199 I200 E277	S195-K274 WeakPolarHBondContact O-CB 3.49Å; S195-K274 PolarHBondContact O-N 3.18Å; C199-K274 CarbonylContact C-O 3.47Å; C199-K274 WeakPolarHBondContact CA-O 3.37Å; C199-K274 HydrophobicContact CB-CB 4.47Å; C199-K274 HydrophobicContact CB-CG 4.43Å; C199-K274 WeakPolarHBondContact CB-O 3.2Å; I200-K274 PolarHBondContact N-O 3.39Å; K274-E277 IonicContact NZ-OE1 3.72Å; K274-E277 PolarHBondContact NZ-OE1 3.1Å
275	V	87.9	Confident	73.6	Confident	75 Å²	75	83.5 Å²	83.5	46%	0.455	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-83.8	139.9	169.9	-175	0	0	0	0	109.6	I200 S279	I200-V275 HydrophobicContact CD1-CG2 4.02Å; I200-V275 HydrophobicContact CG1-CB 4.36Å; I200-V275 HydrophobicContact CG1-CG2 3.89Å; V275-S279 WeakPolarHBondContact CG1-OG 3.42Å
276	C	85.4	Confident	71	Confident	15 Å²	15	79.1 Å²	79.1	10%	0.101	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66.6	135.1	179.6	-54.5	0	0	0	0	111.8	C199 I200 T201 T278 S279	C199-C276 VanDerWaalsContact C-SG 3.57Å; C199-C276 HydrophobicContact CB-CB 3.99Å; C199-C276 WeakPolarHBondContact CB-SG 2.94Å; C199-C276 WeakPolarHBondContact SG-CA 3.49Å; C199-C276 WeakPolarHBondContact SG-CB 3.27Å; C199-C276 CovalentContact SG-SG 2.03Å; C199-C276 PolarHBondContact SG-SG 3.32Å; I200-C276 PolarHBondContact O-N 3.3Å; I200-C276 PolarHBondContact O-SG 3.32Å; T201-C276 HydrophobicContact CG2-CB 4.33Å; C276-T278 PolarHBondContact O-N 3.02Å; C276-T278 VanDerWaalsContact O-N 3.14Å; C276-S279 PolarHBondContact O-N 3.2Å; C276-S279 PolarHBondContact O-OG 2.96Å
277	E	72.6	Confident	68.6	Low	136 Å²	136	86.8 Å²	86.8	64%	0.636	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-63.9	-18.6	-174.5	-72.7	166.1	-153.5	0	0	114.1	K274 S279 V280	K274-E277 IonicContact NZ-OE1 3.72Å; K274-E277 PolarHBondContact NZ-OE1 3.1Å; E277-S279 PolarHBondContact O-N 3Å; E277-S279 VanDerWaalsContact O-N 3.12Å; E277-V280 PolarHBondContact O-N 2.94Å
278	T	59.2	Low	66.4	Low	94 Å²	94	84.3 Å²	84.3	58%	0.577	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-66.6	-5.1	174.7	41.2	0	0	0	0	114.7	C276 S282	C276-T278 PolarHBondContact O-N 3.02Å; C276-T278 VanDerWaalsContact O-N 3.14Å; T278-S282 PolarHBondContact O-OG 3.03Å
279	S	51.2	Low	64.1	Low	55 Å²	55	86.6 Å²	86.6	39%	0.385	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-93.9	-6.2	177.6	58.7	0	0	0	0	114.8	V275 C276 E277	V275-S279 WeakPolarHBondContact CG1-OG 3.42Å; C276-S279 PolarHBondContact O-N 3.2Å; C276-S279 PolarHBondContact O-OG 2.96Å; E277-S279 PolarHBondContact O-N 3Å; E277-S279 VanDerWaalsContact O-N 3.12Å
280	V	47.4	Very low	62	Low	103 Å²	103	89.5 Å²	89.5	62%	0.624	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-17.6	-167	-173.2	0	0	0	0	114	E277	E277-V280 PolarHBondContact O-N 2.94Å
281	Y	43.4	Very low	60.2	Low	217 Å²	217	89.4 Å²	89.4	85%	0.851	48%	0.482	S	S	*	.	S	Bend	trans	-124.2	15	-173.8	-72.6	-74.1	0	0	0	115.6
282	S	35.6	Very low	59	Low	46 Å²	46	94.3 Å²	94.3	32%	0.322	51%	0.505	S	S	.	.			trans	-121	116.5	171.9	50.9	0	0	0	0	108.7	T278 T284	T278-S282 PolarHBondContact O-OG 3.03Å; S282-T284 WeakPolarHBondContact CB-O 3.47Å; S282-T284 CarbonylContact O-C 3.51Å; S282-T284 PolarHBondContact O-N 3.12Å; S282-T284 PolarHBondContact OG-O 3.25Å
283	E	39.7	Very low	58	Low	209 Å²	209	90.4 Å²	90.4	98%	0.977	49%	0.485	S	S	*	.	S	Bend	trans	-58.4	0.1	159.6	-67.6	-175.2	163.9	0	0	112
284	T	37.8	Very low	57.3	Low	102 Å²	102	94.3 Å²	94.3	63%	0.626	51%	0.509	S	S	*	.	S	Bend	trans	-108.6	121.9	163.1	44.8	0	0	0	0	110.1	S282	S282-T284 WeakPolarHBondContact CB-O 3.47Å; S282-T284 CarbonylContact O-C 3.51Å; S282-T284 PolarHBondContact O-N 3.12Å; S282-T284 PolarHBondContact OG-O 3.25Å
285	P	39.8	Very low	56.5	Low	65 Å²	65	97.9 Å²	97.9	42%	0.422	53%	0.527	S	S	.	.			trans	-55	145.6	177.7	-22.6	31.8	0	0	0	111.7	K287	P285-K287 PolarHBondContact O-N 2.61Å
286	P	39.8	Very low	56	Low	58 Å²	58	95.7 Å²	95.7	38%	0.377	52%	0.515	S	S	.	.			trans	-60.4	115.5	172.2	24.5	-31.5	0	0	0	108.6	S288	P286-S288 PolarHBondContact O-N 2.95Å
287	K	42.4	Very low	55.7	Low	190 Å²	190	96 Å²	96	83%	0.826	51%	0.514	S	S	*	.			trans	-46.1	112.6	179.4	-75.6	177.2	174.6	178.7	0	110.6	P285	P285-K287 PolarHBondContact O-N 2.61Å
288	S	45.3	Very low	55.8	Low	42 Å²	42	93.1 Å²	93.1	29%	0.294	50%	0.5	S	S	.	.			trans	-54.8	147.5	152.1	45.4	0	0	0	0	108.4	P286 E290	P286-S288 PolarHBondContact O-N 2.95Å; S288-E290 PolarHBondContact O-N 3.43Å
289	P	48.5	Very low	56.6	Low	134 Å²	134	91.4 Å²	91.4	87%	0.87	50%	0.501	S	S	*	.	S	Bend	trans	-65.5	-5.9	175.3	21.4	-25.1	0	0	0	113.4
290	E	53.3	Low	57.8	Low	94 Å²	94	95.9 Å²	95.9	44%	0.439	51%	0.51	S	S	.	.	S	Bend	trans	-88.5	136	176.8	-62.8	175.3	173.7	0	0	110.9	S288 E292	S288-E290 PolarHBondContact O-N 3.43Å; E290-E292 PolarHBondContact O-N 3.03Å
291	A	58.7	Low	59.3	Low	48 Å²	48	91 Å²	91	40%	0.397	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-63.4	124.9	-178.2	0	0	0	0	0	110.7	T293 E298	A291-T293 HydrophobicContact CB-CG2 4.44Å; A291-T293 PolarHBondContact O-N 3.39Å; A291-E298 WeakPolarHBondContact CB-OE2 3.39Å
292	E	69.9	Low	61	Low	104 Å²	104	82.3 Å²	82.3	49%	0.486	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-69.6	125.6	173.4	-68.1	-173.6	158	0	0	109.4	E290 R305	E290-E292 PolarHBondContact O-N 3.03Å; E292-R305 HydrophobicContact CB-CG 4.34Å; E292-R305 HydrophobicContact CG-CG 4.35Å
293	T	73.9	Confident	63.1	Low	15 Å²	15	80.3 Å²	80.3	9%	0.092	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-133.2	131.7	-170.9	47.9	0	0	0	0	110.1	A291 C296 E298 G303 Y304 R305 C374	A291-T293 HydrophobicContact CB-CG2 4.44Å; A291-T293 PolarHBondContact O-N 3.39Å; T293-C296 CarbonylContact C-O 3.46Å; T293-C296 WeakPolarHBondContact CB-O 3.31Å; T293-C296 PolarHBondContact OG1-O 2.02Å; T293-E298 HydrophobicContact CG2-CG 4.12Å; T293-G303 PolarHBondContact N-O 3.3Å; T293-Y304 WeakPolarHBondContact O-CD2 3.41Å; T293-R305 PolarHBondContact O-N 3.3Å; T293-C374 WeakPolarHBondContact CB-SG 3.44Å; T293-C374 HydrophobicContact CG2-CB 4.19Å; T293-C374 WeakPolarHBondContact CG2-SG 3.47Å
294	T	78.9	Confident	65.2	Low	90 Å²	90	70.7 Å²	70.7	55%	0.552	39%	0.389	S	S	*	.	S	Bend	trans	-107	-34.1	-171.7	49.9	0	0	0	0	112.9	Y304 G306	T294-Y304 WeakPolarHBondContact O-CE2 3.02Å; T294-G306 WeakPolarHBondContact O-CA 2.98Å
295	E	76.1	Confident	67.7	Low	164 Å²	164	67.4 Å²	67.4	77%	0.766	37%	0.365	S	S	*	.	S	Bend	trans	-94.7	-23.7	-178.3	-63.5	-175.7	173.3	0	0	112.9	P372	E295-P372 VanDerWaalsContact O-CD 3.29Å; E295-P372 WeakPolarHBondContact O-CD 3.39Å; E295-P372 VanDerWaalsContact O-CG 3.26Å; E295-P372 WeakPolarHBondContact O-CG 3.24Å
296	C	77.3	Confident	70	Confident	28 Å²	28	64.4 Å²	64.4	19%	0.189	35%	0.346	C	S	.	.	S	Bend	trans	-144.5	169.9	-175.5	50.6	0	0	0	0	109.1	T293 Y304 P372 C374	T293-C296 CarbonylContact C-O 3.46Å; T293-C296 WeakPolarHBondContact CB-O 3.31Å; T293-C296 PolarHBondContact OG1-O 2.02Å; C296-Y304 WeakPolarHBondContact O-CD2 3.05Å; C296-P372 CarbonylContact C-O 3.22Å; C296-P372 VanDerWaalsContact C-O 3.26Å; C296-P372 WeakPolarHBondContact CA-O 3Å; C296-P372 HydrophobicContact CB-CB 4.34Å; C296-P372 HydrophobicContact CB-CG 3.94Å; C296-P372 WeakPolarHBondContact CB-O 3.45Å; C296-C374 HydrophobicContact CB-CB 4.02Å; C296-C374 WeakPolarHBondContact CB-SG 3.32Å; C296-C374 PolarHBondContact O-SG 3.4Å; C296-C374 VanDerWaalsContact O-SG 3.33Å; C296-C374 WeakPolarHBondContact SG-CA 3.49Å; C296-C374 WeakPolarHBondContact SG-CB 3.22Å; C296-C374 CovalentContact SG-SG 2.02Å; C296-C374 PolarHBondContact SG-SG 2.95Å
297	Y	78.9	Confident	72.5	Confident	21 Å²	21	66.4 Å²	66.4	8%	0.082	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-114.8	152.1	176.6	75.7	-94.1	0	0	0	111.6	G299 F353 P354 I371 P372 Q373 C374	Y297-G299 WeakPolarHBondContact CE2-O 2.95Å; Y297-F353 HydrophobicContact CE1-CD1 4.32Å; Y297-F353 AromaticContact CZ-CD1 3.87Å; Y297-F353 VanDerWaalsContact OH-CD1 3.25Å; Y297-F353 WeakPolarHBondContact OH-CD1 3.41Å; Y297-F353 WeakPolarHBondContact OH-CE1 3.28Å; Y297-P354 HydrophobicContact CD1-CG 4.25Å; Y297-P354 HydrophobicContact CG-CG 4.11Å; Y297-I371 HydrophobicContact CD1-CB 4.26Å; Y297-I371 HydrophobicContact CD1-CG2 3.92Å; Y297-I371 VanDerWaalsContact CE1-O 3.29Å; Y297-I371 WeakPolarHBondContact CE1-O 3.29Å; Y297-P372 VanDerWaalsContact CD1-O 3.27Å; Y297-P372 WeakPolarHBondContact CD1-O 3.28Å; Y297-P372 PolarHBondContact N-O 2.85Å; Y297-Q373 HydrophobicContact CE1-CB 4.47Å; Y297-Q373 HydrophobicContact CE2-CG 4.27Å; Y297-Q373 CarbonylContact O-C 3.49Å; Y297-Q373 WeakPolarHBondContact O-CA 3.41Å; Y297-Q373 WeakPolarHBondContact O-CG 3.14Å; Y297-C374 PolarHBondContact O-N 3.37Å
298	E	74.6	Confident	74.6	Confident	76 Å²	76	58.1 Å²	58.1	36%	0.355	32%	0.324	S	S	.	.			trans	-113.3	150	172.8	-73.8	-176	-174.2	0	0	111.4	A291 T293 R300 G301 C374	A291-E298 WeakPolarHBondContact CB-OE2 3.39Å; T293-E298 HydrophobicContact CG2-CG 4.12Å; E298-R300 PolarHBondContact O-N 3Å; E298-R300 VanDerWaalsContact O-N 3.17Å; E298-G301 WeakPolarHBondContact O-CA 3.14Å; E298-G301 PolarHBondContact O-N 3.03Å; E298-C374 HydrophobicContact CG-CB 3.52Å; E298-C374 WeakPolarHBondContact OE1-CB 3.46Å
299	G	76.6	Confident	76.8	Confident	58 Å²	58	59.2 Å²	59.2	60%	0.598	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	-119.1	-176.6	0	0	0	0	0	111.6	Y297	Y297-G299 WeakPolarHBondContact CE2-O 2.95Å
300	R	75.7	Confident	78.4	Confident	150 Å²	150	55.4 Å²	55.4	57%	0.566	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.1	174.1	-65.7	-173	-171.3	-176.2	4.7	113.7	E298 E302 N347 G350 Q351	E298-R300 PolarHBondContact O-N 3Å; E298-R300 VanDerWaalsContact O-N 3.17Å; R300-E302 HydrophobicContact CB-CG 4.37Å; R300-N347 PolarHBondContact O-ND2 3.26Å; R300-G350 WeakPolarHBondContact CD-O 3.38Å; R300-G350 PolarHBondContact NH1-O 3.37Å; R300-Q351 WeakPolarHBondContact CB-O 3.11Å
301	G	78.8	Confident	79.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	78.3	23	-178.1	0	0	0	0	0	114.7	E298 G303 Y304	E298-G301 WeakPolarHBondContact O-CA 3.14Å; E298-G301 PolarHBondContact O-N 3.03Å; G301-G303 PolarHBondContact O-N 3.02Å; G301-Y304 VanDerWaalsContact O-CB 3.28Å; G301-Y304 WeakPolarHBondContact O-CB 3.32Å; G301-Y304 PolarHBondContact O-N 3.35Å; G301-Y304 VanDerWaalsContact O-N 3.15Å
302	E	79.8	Confident	79.9	Confident	35 Å²	35	52.3 Å²	52.3	16%	0.164	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30	171.1	-58.9	-169.1	-147.1	0	0	111.9	R300 R305 K338 N347 G350	R300-E302 HydrophobicContact CB-CG 4.37Å; E302-R305 PolarHBondContact O-NH1 3.35Å; E302-R305 PolarHBondContact O-NH2 3.15Å; E302-K338 IonicContact OE2-NZ 3.31Å; E302-K338 PolarHBondContact OE2-NZ 3.39Å; E302-N347 HydrophobicContact CG-CB 4.45Å; E302-G350 WeakPolarHBondContact OE1-CA 3.34Å
303	G	78.3	Confident	79.7	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3.1	170.8	0	0	0	0	0	115.5	T293 G301 R305	T293-G303 PolarHBondContact N-O 3.3Å; G301-G303 PolarHBondContact O-N 3.02Å; G303-R305 PolarHBondContact O-N 2.77Å
304	Y	85.8	Confident	80	Confident	7 Å²	7	52.7 Å²	52.7	3%	0.027	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-70.3	128.3	178.2	179.5	-110.5	0	0	0	111.2	T293 T294 C296 G301 G306 A308 C345 R346 P354 I371	T293-Y304 WeakPolarHBondContact O-CD2 3.41Å; T294-Y304 WeakPolarHBondContact O-CE2 3.02Å; C296-Y304 WeakPolarHBondContact O-CD2 3.05Å; G301-Y304 VanDerWaalsContact O-CB 3.28Å; G301-Y304 WeakPolarHBondContact O-CB 3.32Å; G301-Y304 PolarHBondContact O-N 3.35Å; G301-Y304 VanDerWaalsContact O-N 3.15Å; Y304-G306 WeakPolarHBondContact OH-CA 3.27Å; Y304-A308 WeakPolarHBondContact OH-CB 3.46Å; Y304-C345 VanDerWaalsContact CD1-O 3.31Å; Y304-C345 WeakPolarHBondContact CD1-O 3.24Å; Y304-C345 HydrophobicContact CE1-CB 4.5Å; Y304-R346 WeakPolarHBondContact O-CD 3.36Å; Y304-P354 HydrophobicContact CD1-CB 4.24Å; Y304-P354 HydrophobicContact CD1-CG 4.29Å; Y304-P354 HydrophobicContact CG-CG 4.35Å; Y304-I371 HydrophobicContact CD1-CD1 4.07Å; Y304-I371 HydrophobicContact CD2-CG2 3.93Å; Y304-I371 HydrophobicContact CE1-CD1 3.46Å; Y304-I371 VanDerWaalsContact CE1-CD1 3.46Å; Y304-I371 HydrophobicContact CE1-CG1 4.24Å; Y304-I371 HydrophobicContact CE1-CG2 4.29Å; Y304-I371 HydrophobicContact CE2-CG2 3.38Å
305	R	89.5	Confident	79.9	Confident	34 Å²	34	50.5 Å²	50.5	13%	0.128	29%	0.293	C	S	.	.			trans	-128.5	17.6	-176.3	-59.7	-66.3	176	-90	1.6	112.8	E292 T293 E302 G303 C337 D339 R346	E292-R305 HydrophobicContact CB-CG 4.34Å; E292-R305 HydrophobicContact CG-CG 4.35Å; T293-R305 PolarHBondContact O-N 3.3Å; E302-R305 PolarHBondContact O-NH1 3.35Å; E302-R305 PolarHBondContact O-NH2 3.15Å; G303-R305 PolarHBondContact O-N 2.77Å; R305-C337 PolarHBondContact NH2-O 2.02Å; R305-D339 VanDerWaalsContact CD-CG 3.48Å; R305-D339 WeakPolarHBondContact CD-OD2 2.89Å; R305-D339 VanDerWaalsContact NE-CB 3.3Å; R305-R346 PolarHBondContact O-NH2 3.03Å
306	G	87.9	Confident	80.7	Confident	2 Å²	2	44.8 Å²	44.8	2%	0.021	27%	0.274	C	S	.	.			trans	-73.1	179.6	179	0	0	0	0	0	114.5	T294 Y304 R346	T294-G306 WeakPolarHBondContact O-CA 2.98Å; Y304-G306 WeakPolarHBondContact OH-CA 3.27Å; G306-R346 PolarHBondContact O-NH1 2.83Å; G306-R346 PolarHBondContact O-NH2 2.8Å
307	T	91.6	Very high	81.6	Confident	99 Å²	99	43.6 Å²	43.6	61%	0.607	27%	0.265	S	S	*	.			trans	-106.8	13.6	-173.5	59.5	0	0	0	0	113.7	D309 Y344	T307-D309 PolarHBondContact O-N 3.47Å; T307-Y344 HydrophobicContact CG2-CE1 4.22Å; T307-Y344 HydrophobicContact CG2-CE2 4.28Å; T307-Y344 VanDerWaalsContact O-CD1 3.28Å; T307-Y344 WeakPolarHBondContact O-CD1 3.06Å; T307-Y344 WeakPolarHBondContact O-CE1 2.98Å
308	A	86.9	Confident	82.4	Confident	17 Å²	17	42.8 Å²	42.8	14%	0.14	26%	0.263	C	S	.	.			trans	-59.6	122.8	174.7	0	0	0	0	0	110.2	Y304 Y344 C345 H370 I371	Y304-A308 WeakPolarHBondContact OH-CB 3.46Å; A308-Y344 CarbonylContact O-C 3.57Å; A308-Y344 VanDerWaalsContact O-CA 3.32Å; A308-Y344 WeakPolarHBondContact O-CA 3.28Å; A308-C345 PolarHBondContact O-N 2.81Å; A308-C345 PolarHBondContact O-SG 3.17Å; A308-H370 WeakPolarHBondContact CB-NE2 3.2Å; A308-I371 HydrophobicContact CB-CD1 3.91Å; A308-I371 HydrophobicContact CB-CG1 3.8Å
309	D	91.1	Very high	83.4	Confident	64 Å²	64	44 Å²	44	34%	0.342	26%	0.264	S	S	.	.			trans	-131	10.1	-171.6	68.1	-11.6	0	0	0	113	T307 C317 Y344	T307-D309 PolarHBondContact O-N 3.47Å; D309-C317 WeakPolarHBondContact O-CB 3.42Å; D309-C317 PolarHBondContact O-N 2.76Å; D309-C317 PolarHBondContact O-SG 3.28Å; D309-Y344 HydrophobicContact CB-CD1 4.1Å
310	T	82.1	Confident	84.2	Confident	55 Å²	55	41.3 Å²	41.3	34%	0.337	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-133.5	138.1	-174.6	-57	0	0	0	0	109.7	L315 H370	T310-L315 CarbonylContact C-O 3.54Å; T310-L315 WeakPolarHBondContact CA-O 3.15Å; T310-H370 PolarHBondContact O-CE1 3.43Å; T310-H370 PolarHBondContact O-ND1 3.19Å
311	T	79.1	Confident	85	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.031	23%	0.228	C	C	.	.			trans	-78.1	164.9	-179.3	76	0	0	0	0	112	S313 G314 L315 T358 M366	T311-S313 PolarHBondContact O-N 3.06Å; T311-S313 VanDerWaalsContact O-N 3.08Å; T311-S313 PolarHBondContact OG1-N 3.22Å; T311-S313 PolarHBondContact OG1-OG 2.77Å; T311-G314 PolarHBondContact O-N 2.72Å; T311-L315 HydrophobicContact CG2-CB 4.2Å; T311-L315 WeakPolarHBondContact CG2-O 3.48Å; T311-L315 PolarHBondContact N-O 2.68Å; T311-L315 WeakPolarHBondContact OG1-CB 2.93Å; T311-L315 PolarHBondContact OG1-N 3.24Å; T311-L315 VanDerWaalsContact OG1-N 3.14Å; T311-T358 HydrophobicContact CG2-CG2 4.33Å; T311-M366 WeakPolarHBondContact CB-SD 2.92Å; T311-M366 HydrophobicContact CG2-CB 3.73Å; T311-M366 HydrophobicContact CG2-CG 3.96Å; T311-M366 HydrophobicContact CG2-SD 3.81Å; T311-M366 PolarHBondContact OG1-SD 3.37Å
312	P	65.5	Low	85.8	Confident	71 Å²	71	39.6 Å²	39.6	46%	0.461	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.7	176.6	-23.5	33.4	0	0	0	114.5	G314 F367 T369	P312-G314 VanDerWaalsContact C-N 3.32Å; P312-F367 WeakPolarHBondContact CD-O 3.33Å; P312-F367 WeakPolarHBondContact CG-O 3.34Å; P312-T369 VanDerWaalsContact CG-OG1 3.23Å; P312-T369 WeakPolarHBondContact CG-OG1 3.45Å
313	S	64.7	Low	86.5	Confident	73 Å²	73	41.1 Å²	41.1	51%	0.51	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.3	174.8	65.8	0	0	0	0	113.3	T311 M366	T311-S313 PolarHBondContact O-N 3.06Å; T311-S313 VanDerWaalsContact O-N 3.08Å; T311-S313 PolarHBondContact OG1-N 3.22Å; T311-S313 PolarHBondContact OG1-OG 2.77Å; S313-M366 PolarHBondContact OG-SD 2.01Å
314	G	80.1	Confident	87.1	Confident	55 Å²	55	49.5 Å²	49.5	57%	0.567	28%	0.28	S	S	*	.	S	Bend	trans	81.9	13.6	179.3	0	0	0	0	0	115.6	T311 P312	T311-G314 PolarHBondContact O-N 2.72Å; P312-G314 VanDerWaalsContact C-N 3.32Å
315	L	78.4	Confident	87.3	Confident	44 Å²	44	50.7 Å²	50.7	23%	0.23	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-82.7	135.5	176.9	-63.3	173.9	0	0	0	110	T310 T311 D360 V363	T310-L315 CarbonylContact C-O 3.54Å; T310-L315 WeakPolarHBondContact CA-O 3.15Å; T311-L315 HydrophobicContact CG2-CB 4.2Å; T311-L315 WeakPolarHBondContact CG2-O 3.48Å; T311-L315 PolarHBondContact N-O 2.68Å; T311-L315 WeakPolarHBondContact OG1-CB 2.93Å; T311-L315 PolarHBondContact OG1-N 3.24Å; T311-L315 VanDerWaalsContact OG1-N 3.14Å; L315-D360 HydrophobicContact CD1-CB 4.43Å; L315-D360 HydrophobicContact CD2-CB 4.42Å; L315-V363 HydrophobicContact CD1-CB 4.47Å
316	A	92.5	Very high	87.4	Confident	43 Å²	43	49.8 Å²	49.8	36%	0.355	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-69.4	142	173.7	0	0	0	0	0	110.6	T359	A316-T359 HydrophobicContact CB-CG2 4.11Å; A316-T359 PolarHBondContact O-N 2Å; A316-T359 PolarHBondContact O-OG1 3.12Å
317	C	95.6	Very high	87.6	Confident	3 Å²	3	55 Å²	55	2%	0.02	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-73.9	141.5	171.9	-67.1	0	0	0	0	110.4	D309 N343 C356 F357	D309-C317 WeakPolarHBondContact O-CB 3.42Å; D309-C317 PolarHBondContact O-N 2.76Å; D309-C317 PolarHBondContact O-SG 3.28Å; C317-N343 HydrophobicContact CB-CB 3.94Å; C317-N343 WeakPolarHBondContact CB-O 2.97Å; C317-N343 VanDerWaalsContact O-CB 3.23Å; C317-N343 WeakPolarHBondContact O-CB 3.43Å; C317-N343 PolarHBondContact O-ND2 3.16Å; C317-C356 VanDerWaalsContact CA-SG 3.6Å; C317-C356 HydrophobicContact CB-CB 3.51Å; C317-C356 WeakPolarHBondContact CB-SG 3.24Å; C317-C356 WeakPolarHBondContact SG-CB 2.99Å; C317-C356 CovalentContact SG-SG 2.02Å; C317-C356 PolarHBondContact SG-SG 2.94Å; C317-F357 CarbonylContact C-O 3.58Å; C317-F357 VanDerWaalsContact CA-O 3.28Å; C317-F357 WeakPolarHBondContact CA-O 3.4Å
318	Q	95.9	Very high	87.4	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.023	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-74.5	142.2	168.3	171.5	-175.2	-31.7	0	0	109	S322 Y324 P325 H326 F357	Q318-S322 PolarHBondContact NE2-O 3.18Å; Q318-Y324 VanDerWaalsContact CD-O 3.26Å; Q318-P325 VanDerWaalsContact OE1-CD 3.26Å; Q318-H326 PolarHBondContact NE2-O 3.16Å; Q318-H326 PolarHBondContact OE1-CD2 3.47Å; Q318-F357 HydrophobicContact CB-CB 3.84Å; Q318-F357 HydrophobicContact CG-CB 4.34Å; Q318-F357 PolarHBondContact N-O 3.33Å
319	R	95.9	Very high	87.2	Confident	102 Å²	102	54.8 Å²	54.8	39%	0.385	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-65.3	141.5	175.8	-62.4	171.9	59.1	108.8	5.7	111.8	D321 S322 E342 N343	R319-D321 WeakPolarHBondContact CB-OD1 3.37Å; R319-D321 IonicContact CZ-OD1 3.18Å; R319-D321 IonicContact CZ-OD2 3.1Å; R319-D321 IonicContact NE-OD1 4Å; R319-D321 PolarHBondContact NE-OD1 3.08Å; R319-D321 IonicContact NE-OD2 3.72Å; R319-D321 PolarHBondContact NE-OD2 2.95Å; R319-D321 IonicContact NH2-OD1 3.53Å; R319-D321 IonicContact NH2-OD2 2.66Å; R319-D321 PolarHBondContact NH2-OD2 3.5Å; R319-D321 PolarHBondContact O-N 2.86Å; R319-S322 WeakPolarHBondContact O-CB 3.33Å; R319-S322 PolarHBondContact O-N 3.35Å; R319-E342 CarbonylContact C-O 3.26Å; R319-E342 VanDerWaalsContact CA-O 3.22Å; R319-E342 WeakPolarHBondContact CA-O 3.37Å; R319-E342 IonicContact CZ-OE2 2.69Å; R319-E342 IonicContact NH1-OE2 3.29Å; R319-E342 PolarHBondContact NH1-OE2 2.69Å; R319-E342 IonicContact NH2-OE1 3.4Å; R319-E342 IonicContact NH2-OE2 3.88Å; R319-E342 PolarHBondContact NH2-OE2 3.36Å; R319-N343 HydrophobicContact CB-CB 4.41Å; R319-N343 HydrophobicContact CG-CB 4.02Å
320	W	93.3	Very high	87	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.1	-179.8	-62.9	102.7	0	0	0	113.7	H328 F330 P332 L340 E342 Y344 R346 P348 W355 C356 F357	W320-H328 PolarHBondContact O-CE1 3.23Å; W320-F330 HydrophobicContact CE3-CB 3.95Å; W320-F330 HydrophobicContact CZ3-CB 3.96Å; W320-F330 HydrophobicContact CZ3-CG 4.44Å; W320-P332 HydrophobicContact CB-CG 4.26Å; W320-L340 HydrophobicContact CB-CB 3.89Å; W320-L340 HydrophobicContact CD2-CB 4.23Å; W320-L340 HydrophobicContact CD2-CD2 3.99Å; W320-L340 HydrophobicContact CD2-CG 4.48Å; W320-L340 HydrophobicContact CE3-CD1 4.26Å; W320-L340 HydrophobicContact CE3-CD2 4.18Å; W320-L340 HydrophobicContact CG-CB 3.82Å; W320-L340 HydrophobicContact CG-CD2 4.42Å; W320-L340 HydrophobicContact CZ2-CD2 4.35Å; W320-L340 HydrophobicContact CZ3-CD2 4.44Å; W320-E342 VanDerWaalsContact CD1-O 3.24Å; W320-E342 PolarHBondContact N-O 2.74Å; W320-Y344 PolarHBondContact NE1-O 3.13Å; W320-R346 HydrophobicContact CZ2-CB 3.83Å; W320-R346 HydrophobicContact CZ2-CG 4.42Å; W320-P348 HydrophobicContact CH2-CG 4.29Å; W320-P348 HydrophobicContact CZ3-CG 4.26Å; W320-W355 HydrophobicContact CH2-CD2 4.47Å; W320-W355 HydrophobicContact CH2-CE3 4.14Å; W320-W355 HydrophobicContact CH2-CH2 4.06Å; W320-W355 HydrophobicContact CH2-CZ2 4.42Å; W320-W355 AromaticContact CH2-CZ3 3.9Å; W320-W355 HydrophobicContact CH2-CZ3 3.9Å; W320-W355 WeakPolarHBondContact CZ2-O 3.21Å; W320-W355 HydrophobicContact CZ3-CH2 4Å; W320-W355 HydrophobicContact CZ3-CZ3 4.09Å; W320-C356 HydrophobicContact CZ2-CB 4.39Å; W320-F357 HydrophobicContact CE3-CD2 4.14Å; W320-F357 HydrophobicContact CE3-CE2 4.21Å; W320-F357 HydrophobicContact CH2-CD2 4.49Å; W320-F357 AromaticContact CZ3-CD2 3.82Å; W320-F357 HydrophobicContact CZ3-CD2 3.82Å; W320-F357 AromaticContact CZ3-CE2 3.73Å; W320-F357 HydrophobicContact CZ3-CE2 3.73Å
321	D	93	Very high	87.1	Confident	77 Å²	77	53.3 Å²	53.3	41%	0.412	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-9	172.4	60.4	-0.4	0	0	0	113.1	R319 P332	R319-D321 WeakPolarHBondContact CB-OD1 3.37Å; R319-D321 IonicContact CZ-OD1 3.18Å; R319-D321 IonicContact CZ-OD2 3.1Å; R319-D321 IonicContact NE-OD1 4Å; R319-D321 PolarHBondContact NE-OD1 3.08Å; R319-D321 IonicContact NE-OD2 3.72Å; R319-D321 PolarHBondContact NE-OD2 2.95Å; R319-D321 IonicContact NH2-OD1 3.53Å; R319-D321 IonicContact NH2-OD2 2.66Å; R319-D321 PolarHBondContact NH2-OD2 3.5Å; R319-D321 PolarHBondContact O-N 2.86Å; D321-P332 HydrophobicContact CB-CG 4.28Å
322	S	94.8	Very high	87.4	Confident	37 Å²	37	54.7 Å²	54.7	26%	0.259	31%	0.307	S	S	.	.			trans	-90.5	139.9	179.2	-178	0	0	0	0	111.6	Q318 R319 Y324 H328	Q318-S322 PolarHBondContact NE2-O 3.18Å; R319-S322 WeakPolarHBondContact O-CB 3.33Å; R319-S322 PolarHBondContact O-N 3.35Å; S322-Y324 PolarHBondContact OG-N 3.27Å; S322-Y324 PolarHBondContact OG-O 3.37Å; S322-H328 PolarHBondContact O-NE2 2.74Å
323	Q	94.2	Very high	88	Confident	67 Å²	67	58.1 Å²	58.1	31%	0.313	32%	0.317	S	S	.	.			trans	-102.7	14.4	173.2	-65.2	-63.7	-48.6	0	0	113	H326 N327 H328	Q323-H326 CarbonylContact C-O 3.5Å; Q323-H326 CarbonylContact O-C 3.53Å; Q323-N327 PolarHBondContact O-N 2.94Å; Q323-N327 PolarHBondContact OE1-OD1 3.34Å; Q323-H328 PolarHBondContact NE2-O 3.5Å; Q323-H328 PolarHBondContact OE1-O 2.76Å
324	Y	91.4	Very high	88.3	Confident	179 Å²	179	55.7 Å²	55.7	70%	0.702	30%	0.301	S	S	*	.	S	Bend	trans	-137.3	138.4	-178.8	-177.5	-90.5	0	0	0	111.5	Q318 S322 H326	Q318-Y324 VanDerWaalsContact CD-O 3.26Å; S322-Y324 PolarHBondContact OG-N 3.27Å; S322-Y324 PolarHBondContact OG-O 3.37Å; Y324-H326 VanDerWaalsContact C-N 3.35Å
325	P	89.6	Confident	88.1	Confident	33 Å²	33	53.4 Å²	53.4	21%	0.214	28%	0.275	C	S	.	.	S	Bend	cis	-72.9	-17.8	-0.7	29.7	-36.4	0	0	0	114.5	Q318 P361	Q318-P325 VanDerWaalsContact OE1-CD 3.26Å; P325-P361 HydrophobicContact CB-CB 4.25Å; P325-P361 HydrophobicContact CB-CG 3.96Å; P325-P361 HydrophobicContact CG-CG 4.47Å
326	H	91.9	Very high	87.8	Confident	14 Å²	14	55.8 Å²	55.8	7%	0.065	29%	0.294	C	S	.	.	S	Bend	trans	-107.6	115.7	-176.9	-57.4	-62.6	0	0	0	111.6	Q318 Q323 Y324 H328 F357 T358 D360 P361 V363 R364	Q318-H326 PolarHBondContact NE2-O 3.16Å; Q318-H326 PolarHBondContact OE1-CD2 3.47Å; Q323-H326 CarbonylContact C-O 3.5Å; Q323-H326 CarbonylContact O-C 3.53Å; Y324-H326 VanDerWaalsContact C-N 3.35Å; H326-H328 PolarHBondContact O-CD2 2.82Å; H326-F357 HydrophobicContact CB-CD1 3.96Å; H326-T358 PolarHBondContact CD2-O 3.48Å; H326-T358 PolarHBondContact NE2-O 2.93Å; H326-D360 PolarHBondContact CE1-O 3.39Å; H326-D360 PolarHBondContact NE2-O 3.43Å; H326-P361 PolarHBondContact CE1-O 3.4Å; H326-V363 PolarHBondContact NE2-O 3.16Å; H326-R364 HydrophobicContact CB-CG 4.32Å; H326-R364 PolarHBondContact CD2-O 3.11Å
327	N	91.1	Very high	87	Confident	112 Å²	112	55.2 Å²	55.2	60%	0.599	29%	0.286	S	S	*	.			trans	-70.8	136.1	168.7	-178	-39.9	0	0	0	110.1	Q323 R364	Q323-N327 PolarHBondContact O-N 2.94Å; Q323-N327 PolarHBondContact OE1-OD1 3.34Å; N327-R364 PolarHBondContact O-NH1 3.21Å; N327-R364 VanDerWaalsContact O-NH1 3.11Å; N327-R364 PolarHBondContact O-NH2 3.23Å
328	H	87.4	Confident	86.3	Confident	9 Å²	9	55.8 Å²	55.8	4%	0.042	29%	0.289	C	S	.	.			trans	-155.1	163.3	-177.5	64.1	75.3	0	0	0	114.3	W320 S322 Q323 H326 F330 F357	W320-H328 PolarHBondContact O-CE1 3.23Å; S322-H328 PolarHBondContact O-NE2 2.74Å; Q323-H328 PolarHBondContact NE2-O 3.5Å; Q323-H328 PolarHBondContact OE1-O 2.76Å; H326-H328 PolarHBondContact O-CD2 2.82Å; H328-F330 PolarHBondContact CE1-O 3.16Å; H328-F330 VanDerWaalsContact CE1-O 3.29Å; H328-F330 PolarHBondContact ND1-N 3.3Å; H328-F330 PolarHBondContact ND1-O 3.34Å; H328-F357 HydrophobicContact CB-CD2 4.39Å; H328-F357 HydrophobicContact CB-CE1 3.82Å; H328-F357 HydrophobicContact CB-CE2 3.57Å; H328-F357 HydrophobicContact CB-CZ 3.26Å; H328-F357 AromaticContact CD2-CD2 3.29Å; H328-F357 WeakPolarHBondContact CD2-CD2 3.46Å; H328-F357 AromaticContact CD2-CE2 3.31Å; H328-F357 WeakPolarHBondContact CD2-CE2 3.37Å; H328-F357 AromaticContact CD2-CG 3.76Å; H328-F357 AromaticContact CD2-CZ 3.81Å; H328-F357 AromaticContact CE1-CE2 3.99Å; H328-F357 AromaticContact CG-CD2 3.81Å; H328-F357 AromaticContact CG-CE2 3.29Å; H328-F357 AromaticContact CG-CZ 3.58Å; H328-F357 AromaticContact ND1-CE2 3.75Å; H328-F357 AromaticContact NE2-CD2 3.52Å; H328-F357 AromaticContact NE2-CE2 3.76Å
329	T	84.3	Confident	85.7	Confident	103 Å²	103	56.6 Å²	56.6	63%	0.632	29%	0.293	S	S	*	.	S	Bend	trans	-90.6	-11	-177.1	54.3	0	0	0	0	114.8	L331 Y335	T329-L331 PolarHBondContact O-N 3.14Å; T329-Y335 WeakPolarHBondContact O-CE2 3.41Å
330	F	86	Confident	85.4	Confident	25 Å²	25	52 Å²	52	11%	0.11	28%	0.276	C	S	.	.			trans	-78.4	67.4	-179.6	-63.8	-74.1	0	0	0	112.3	W320 H328 Y335 L340 P348 D349 W355 F357	W320-F330 HydrophobicContact CE3-CB 3.95Å; W320-F330 HydrophobicContact CZ3-CB 3.96Å; W320-F330 HydrophobicContact CZ3-CG 4.44Å; H328-F330 PolarHBondContact CE1-O 3.16Å; H328-F330 VanDerWaalsContact CE1-O 3.29Å; H328-F330 PolarHBondContact ND1-N 3.3Å; H328-F330 PolarHBondContact ND1-O 3.34Å; F330-Y335 HydrophobicContact CD1-CD2 4.37Å; F330-Y335 HydrophobicContact CD1-CE1 4.23Å; F330-Y335 AromaticContact CD1-CE2 3.94Å; F330-Y335 HydrophobicContact CD1-CE2 3.94Å; F330-Y335 AromaticContact CD1-CZ 3.84Å; F330-Y335 HydrophobicContact CE1-CE1 4.37Å; F330-L340 HydrophobicContact CB-CD1 3.97Å; F330-P348 HydrophobicContact CD1-CB 3.64Å; F330-P348 HydrophobicContact CD1-CG 3.52Å; F330-P348 HydrophobicContact CE1-CB 3.85Å; F330-P348 HydrophobicContact CE1-CG 3.74Å; F330-P348 HydrophobicContact CG-CG 4.03Å; F330-P348 HydrophobicContact CZ-CG 4.42Å; F330-D349 HydrophobicContact CE1-CB 4.01Å; F330-D349 HydrophobicContact CZ-CB 3.8Å; F330-W355 AromaticContact CD2-CH2 3.82Å; F330-W355 HydrophobicContact CD2-CH2 3.82Å; F330-W355 HydrophobicContact CD2-CZ2 4.28Å; F330-W355 AromaticContact CE2-CH2 3.73Å; F330-W355 HydrophobicContact CE2-CH2 3.73Å; F330-W355 AromaticContact CE2-CZ2 3.9Å; F330-W355 HydrophobicContact CE2-CZ2 3.9Å; F330-W355 HydrophobicContact CZ-CH2 4.48Å; F330-W355 HydrophobicContact CZ-CZ2 4.2Å; F330-F357 HydrophobicContact CD2-CE2 4Å; F330-F357 HydrophobicContact CD2-CZ 4.02Å
331	L	85.2	Confident	85.1	Confident	62 Å²	62	58 Å²	58	33%	0.325	30%	0.302	S	S	.	.			trans	-85.7	142.1	177.9	-69.7	172.3	0	0	0	111	T329 E333 A334 Y335	T329-L331 PolarHBondContact O-N 3.14Å; L331-E333 PolarHBondContact O-N 2.8Å; L331-A334 HydrophobicContact CB-CB 4.32Å; L331-A334 PolarHBondContact O-N 1.98Å; L331-Y335 WeakPolarHBondContact O-CD2 3.4Å; L331-Y335 PolarHBondContact O-N 2.73Å; L331-Y335 VanDerWaalsContact O-N 3.14Å
332	P	84.6	Confident	85.1	Confident	34 Å²	34	58.1 Å²	58.1	22%	0.221	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.8	-179.1	-22.7	33	0	0	0	113.1	W320 D321 A334 Y335 L340	W320-P332 HydrophobicContact CB-CG 4.26Å; D321-P332 HydrophobicContact CB-CG 4.28Å; P332-A334 VanDerWaalsContact C-N 3.29Å; P332-A334 PolarHBondContact O-N 2.91Å; P332-Y335 CarbonylContact O-C 3.53Å; P332-Y335 PolarHBondContact O-N 3.02Å; P332-L340 HydrophobicContact CB-CB 4.44Å; P332-L340 HydrophobicContact CG-CB 4.39Å; P332-L340 VanDerWaalsContact CG-O 3.27Å; P332-L340 WeakPolarHBondContact CG-O 3.38Å
333	E	77.9	Confident	85.1	Confident	144 Å²	144	57.8 Å²	57.8	67%	0.673	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-29.9	179	-57	74.3	-159.6	0	0	112.4	L331	L331-E333 PolarHBondContact O-N 2.8Å
334	A	71.6	Confident	85.2	Confident	21 Å²	21	57.6 Å²	57.6	17%	0.174	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-21.8	179.4	0	0	0	0	0	112.7	H255 L331 P332 P336	H255-A334 PolarHBondContact CD2-O 3.07Å; H255-A334 PolarHBondContact NE2-O 3Å; L331-A334 HydrophobicContact CB-CB 4.32Å; L331-A334 PolarHBondContact O-N 1.98Å; P332-A334 VanDerWaalsContact C-N 3.29Å; P332-A334 PolarHBondContact O-N 2.91Å; A334-P336 VanDerWaalsContact C-CD 3.49Å
335	Y	75.8	Confident	85.2	Confident	7 Å²	7	49 Å²	49	3%	0.027	26%	0.259	C	S	.	.			trans	-129.9	57.7	-179.7	-59.6	-97.3	0	0	0	113.1	H255 T329 F330 L331 P332 C337 K338 L340	H255-Y335 PolarHBondContact N-OH 3.28Å; T329-Y335 WeakPolarHBondContact O-CE2 3.41Å; F330-Y335 HydrophobicContact CD1-CD2 4.37Å; F330-Y335 HydrophobicContact CD1-CE1 4.23Å; F330-Y335 AromaticContact CD1-CE2 3.94Å; F330-Y335 HydrophobicContact CD1-CE2 3.94Å; F330-Y335 AromaticContact CD1-CZ 3.84Å; F330-Y335 HydrophobicContact CE1-CE1 4.37Å; L331-Y335 WeakPolarHBondContact O-CD2 3.4Å; L331-Y335 PolarHBondContact O-N 2.73Å; L331-Y335 VanDerWaalsContact O-N 3.14Å; P332-Y335 CarbonylContact O-C 3.53Å; P332-Y335 PolarHBondContact O-N 3.02Å; Y335-C337 PolarHBondContact O-N 2.9Å; Y335-C337 VanDerWaalsContact O-N 3.1Å; Y335-K338 HydrophobicContact CD1-CG 4.28Å; Y335-K338 PolarHBondContact O-N 3.18Å; Y335-L340 HydrophobicContact CD2-CD1 4.27Å; Y335-L340 HydrophobicContact CG-CD1 4.25Å
336	P	72.8	Confident	85.3	Confident	95 Å²	95	47.6 Å²	47.6	62%	0.617	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-58.8	-32	-173.3	-24	34.4	0	0	0	114.2	A334	A334-P336 VanDerWaalsContact C-CD 3.49Å
337	C	74	Confident	85.1	Confident	30 Å²	30	47.1 Å²	47.1	20%	0.203	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-72.9	-19.7	178	48.3	0	0	0	0	115	C202 R305 Y335 D339	C202-C337 WeakPolarHBondContact CA-SG 3.4Å; C202-C337 HydrophobicContact CB-CB 3.5Å; C202-C337 VanDerWaalsContact CB-CB 3.5Å; C202-C337 WeakPolarHBondContact CB-SG 3.32Å; C202-C337 WeakPolarHBondContact SG-CB 3.4Å; C202-C337 CovalentContact SG-SG 2.01Å; C202-C337 PolarHBondContact SG-SG 3.07Å; R305-C337 PolarHBondContact NH2-O 2.02Å; Y335-C337 PolarHBondContact O-N 2.9Å; Y335-C337 VanDerWaalsContact O-N 3.1Å; C337-D339 VanDerWaalsContact C-N 3.34Å
338	K	80.9	Confident	84.8	Confident	16 Å²	16	41.8 Å²	41.8	7%	0.07	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-91.4	1.4	-176.4	-61.7	-66.3	-167.9	171.8	0	112.5	E302 Y335 L340 P348	E302-K338 IonicContact OE2-NZ 3.31Å; E302-K338 PolarHBondContact OE2-NZ 3.39Å; Y335-K338 HydrophobicContact CD1-CG 4.28Å; Y335-K338 PolarHBondContact O-N 3.18Å; K338-L340 VanDerWaalsContact C-N 3.34Å; K338-L340 HydrophobicContact CB-CD2 4.2Å; K338-L340 HydrophobicContact CB-CG 4.16Å; K338-L340 PolarHBondContact O-N 3.31Å; K338-P348 HydrophobicContact CB-CB 4.22Å; K338-P348 VanDerWaalsContact CE-O 3.29Å; K338-P348 WeakPolarHBondContact CE-O 3.42Å; K338-P348 HydrophobicContact CG-CB 4.15Å
339	D	84.3	Confident	84.2	Confident	22 Å²	22	43.5 Å²	43.5	12%	0.118	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	48	177	-171.4	59.1	0	0	0	113.2	R305 C337 K341 R346	R305-D339 VanDerWaalsContact CD-CG 3.48Å; R305-D339 WeakPolarHBondContact CD-OD2 2.89Å; R305-D339 VanDerWaalsContact NE-CB 3.3Å; C337-D339 VanDerWaalsContact C-N 3.34Å; D339-K341 PolarHBondContact O-N 2.88Å; D339-K341 VanDerWaalsContact OD1-CD 3.23Å; D339-K341 WeakPolarHBondContact OD1-CD 3.38Å; D339-K341 WeakPolarHBondContact OD1-CE 3.42Å; D339-K341 IonicContact OD1-NZ 3.91Å; D339-K341 PolarHBondContact OD1-NZ 3.15Å; D339-R346 WeakPolarHBondContact O-CD 3.1Å; D339-R346 PolarHBondContact O-NE 3.07Å; D339-R346 IonicContact OD2-CZ 3.77Å; D339-R346 IonicContact OD2-NE 3.86Å; D339-R346 PolarHBondContact OD2-NE 3.28Å; D339-R346 IonicContact OD2-NH2 2.82Å; D339-R346 PolarHBondContact OD2-NH2 2.56Å
340	L	89.4	Confident	83.5	Confident	5 Å²	5	39 Å²	39	3%	0.026	20%	0.202	C	C	.	.			trans	-74.7	58.4	179.1	-58.1	-174.1	0	0	0	111.7	W320 F330 P332 Y335 K338 R346 P348	W320-L340 HydrophobicContact CB-CB 3.89Å; W320-L340 HydrophobicContact CD2-CB 4.23Å; W320-L340 HydrophobicContact CD2-CD2 3.99Å; W320-L340 HydrophobicContact CD2-CG 4.48Å; W320-L340 HydrophobicContact CE3-CD1 4.26Å; W320-L340 HydrophobicContact CE3-CD2 4.18Å; W320-L340 HydrophobicContact CG-CB 3.82Å; W320-L340 HydrophobicContact CG-CD2 4.42Å; W320-L340 HydrophobicContact CZ2-CD2 4.35Å; W320-L340 HydrophobicContact CZ3-CD2 4.44Å; F330-L340 HydrophobicContact CB-CD1 3.97Å; P332-L340 HydrophobicContact CB-CB 4.44Å; P332-L340 HydrophobicContact CG-CB 4.39Å; P332-L340 VanDerWaalsContact CG-O 3.27Å; P332-L340 WeakPolarHBondContact CG-O 3.38Å; Y335-L340 HydrophobicContact CD2-CD1 4.27Å; Y335-L340 HydrophobicContact CG-CD1 4.25Å; K338-L340 VanDerWaalsContact C-N 3.34Å; K338-L340 HydrophobicContact CB-CD2 4.2Å; K338-L340 HydrophobicContact CB-CG 4.16Å; K338-L340 PolarHBondContact O-N 3.31Å; L340-R346 HydrophobicContact CD2-CB 3.62Å; L340-R346 HydrophobicContact CD2-CG 3.87Å; L340-P348 HydrophobicContact CD1-CB 4.4Å; L340-P348 HydrophobicContact CD2-CB 4.08Å; L340-P348 HydrophobicContact CD2-CG 4.12Å
341	K	87.5	Confident	82.6	Confident	125 Å²	125	41 Å²	41	54%	0.543	21%	0.212	S	C	.	.			trans	-89.9	147.2	179.6	-66.3	178.6	-177.3	138.1	0	111.1	D339 N343 Y344	D339-K341 PolarHBondContact O-N 2.88Å; D339-K341 VanDerWaalsContact OD1-CD 3.23Å; D339-K341 WeakPolarHBondContact OD1-CD 3.38Å; D339-K341 WeakPolarHBondContact OD1-CE 3.42Å; D339-K341 IonicContact OD1-NZ 3.91Å; D339-K341 PolarHBondContact OD1-NZ 3.15Å; K341-N343 PolarHBondContact O-N 2.86Å; K341-Y344 WeakPolarHBondContact O-CD2 2.91Å; K341-Y344 PolarHBondContact O-N 2.86Å
342	E	93.4	Very high	81.7	Confident	81 Å²	81	44.8 Å²	44.8	38%	0.379	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	-133.5	177.9	-57.9	-57.9	149	0	0	111.5	R319 W320 Y344	R319-E342 CarbonylContact C-O 3.26Å; R319-E342 VanDerWaalsContact CA-O 3.22Å; R319-E342 WeakPolarHBondContact CA-O 3.37Å; R319-E342 IonicContact CZ-OE2 2.69Å; R319-E342 IonicContact NH1-OE2 3.29Å; R319-E342 PolarHBondContact NH1-OE2 2.69Å; R319-E342 IonicContact NH2-OE1 3.4Å; R319-E342 IonicContact NH2-OE2 3.88Å; R319-E342 PolarHBondContact NH2-OE2 3.36Å; W320-E342 VanDerWaalsContact CD1-O 3.24Å; W320-E342 PolarHBondContact N-O 2.74Å; E342-Y344 HydrophobicContact CB-CD2 4.09Å; E342-Y344 HydrophobicContact CB-CE1 4.3Å; E342-Y344 HydrophobicContact CB-CE2 3.83Å; E342-Y344 HydrophobicContact CB-CG 4.44Å; E342-Y344 HydrophobicContact CG-CE2 3.86Å
343	N	94.4	Very high	81.4	Confident	30 Å²	30	45.6 Å²	45.6	16%	0.16	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	22.5	174.7	63.5	-25.7	0	0	0	112.4	C317 R319 K341	C317-N343 HydrophobicContact CB-CB 3.94Å; C317-N343 WeakPolarHBondContact CB-O 2.97Å; C317-N343 VanDerWaalsContact O-CB 3.23Å; C317-N343 WeakPolarHBondContact O-CB 3.43Å; C317-N343 PolarHBondContact O-ND2 3.16Å; R319-N343 HydrophobicContact CB-CB 4.41Å; R319-N343 HydrophobicContact CG-CB 4.02Å; K341-N343 PolarHBondContact O-N 2.86Å
344	Y	95.3	Very high	81.7	Confident	62 Å²	62	38.8 Å²	38.8	24%	0.243	20%	0.196	C	C	.	.			trans	-69.1	145.2	-176.1	-55.3	-43	0	0	0	112.2	T307 A308 D309 W320 K341 E342 R346	T307-Y344 HydrophobicContact CG2-CE1 4.22Å; T307-Y344 HydrophobicContact CG2-CE2 4.28Å; T307-Y344 VanDerWaalsContact O-CD1 3.28Å; T307-Y344 WeakPolarHBondContact O-CD1 3.06Å; T307-Y344 WeakPolarHBondContact O-CE1 2.98Å; A308-Y344 CarbonylContact O-C 3.57Å; A308-Y344 VanDerWaalsContact O-CA 3.32Å; A308-Y344 WeakPolarHBondContact O-CA 3.28Å; D309-Y344 HydrophobicContact CB-CD1 4.1Å; W320-Y344 PolarHBondContact NE1-O 3.13Å; K341-Y344 WeakPolarHBondContact O-CD2 2.91Å; K341-Y344 PolarHBondContact O-N 2.86Å; E342-Y344 HydrophobicContact CB-CD2 4.09Å; E342-Y344 HydrophobicContact CB-CE1 4.3Å; E342-Y344 HydrophobicContact CB-CE2 3.83Å; E342-Y344 HydrophobicContact CB-CG 4.44Å; E342-Y344 HydrophobicContact CG-CE2 3.86Å; Y344-R346 VanDerWaalsContact CB-NH1 3.28Å; Y344-R346 PolarHBondContact O-N 2Å
345	C	91.9	Very high	82.7	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.			trans	-59.5	127.7	174.4	-59.9	0	0	0	0	110.5	Y304 A308 P354 W355 C368 I371	Y304-C345 VanDerWaalsContact CD1-O 3.31Å; Y304-C345 WeakPolarHBondContact CD1-O 3.24Å; Y304-C345 HydrophobicContact CE1-CB 4.5Å; A308-C345 PolarHBondContact O-N 2.81Å; A308-C345 PolarHBondContact O-SG 3.17Å; C345-P354 HydrophobicContact CB-CB 4.23Å; C345-W355 WeakPolarHBondContact CA-O 2.99Å; C345-C368 HydrophobicContact CB-CB 3.5Å; C345-C368 WeakPolarHBondContact CB-SG 3.33Å; C345-C368 WeakPolarHBondContact SG-CB 3.47Å; C345-C368 CovalentContact SG-SG 2.02Å; C345-C368 PolarHBondContact SG-SG 3.04Å; C345-I371 HydrophobicContact CB-CD1 3.74Å
346	R	92.8	Very high	83.6	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.011	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-140.1	166.1	-179.6	-68	-66.9	180	-89.8	4.4	109.8	Y304 R305 G306 W320 D339 L340 Y344 P348 W355	Y304-R346 WeakPolarHBondContact O-CD 3.36Å; R305-R346 PolarHBondContact O-NH2 3.03Å; G306-R346 PolarHBondContact O-NH1 2.83Å; G306-R346 PolarHBondContact O-NH2 2.8Å; W320-R346 HydrophobicContact CZ2-CB 3.83Å; W320-R346 HydrophobicContact CZ2-CG 4.42Å; D339-R346 WeakPolarHBondContact O-CD 3.1Å; D339-R346 PolarHBondContact O-NE 3.07Å; D339-R346 IonicContact OD2-CZ 3.77Å; D339-R346 IonicContact OD2-NE 3.86Å; D339-R346 PolarHBondContact OD2-NE 3.28Å; D339-R346 IonicContact OD2-NH2 2.82Å; D339-R346 PolarHBondContact OD2-NH2 2.56Å; L340-R346 HydrophobicContact CD2-CB 3.62Å; L340-R346 HydrophobicContact CD2-CG 3.87Å; Y344-R346 VanDerWaalsContact CB-NH1 3.28Å; Y344-R346 PolarHBondContact O-N 2Å; R346-P348 VanDerWaalsContact C-CD 3.48Å; R346-W355 PolarHBondContact N-O 3.21Å; R346-W355 PolarHBondContact O-N 3.41Å
347	N	87.4	Confident	84.6	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	16%	0.159	C	C	.	.			trans	-126.5	73	174.8	-165.6	4.9	0	0	0	111.2	R300 E302 D349 G350 Q351	R300-N347 PolarHBondContact O-ND2 3.26Å; E302-N347 HydrophobicContact CG-CB 4.45Å; N347-D349 VanDerWaalsContact C-N 3.3Å; N347-D349 PolarHBondContact O-N 3.23Å; N347-D349 PolarHBondContact OD1-OD1 3.29Å; N347-G350 PolarHBondContact OD1-N 3.01Å; N347-Q351 PolarHBondContact ND2-N 3.46Å; N347-Q351 PolarHBondContact ND2-O 3.42Å; N347-Q351 PolarHBondContact OD1-N 3Å
348	P	83.3	Confident	85.6	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.5	-175.7	26.4	-32.7	0	0	0	114.6	W320 F330 K338 L340 R346 W355	W320-P348 HydrophobicContact CH2-CG 4.29Å; W320-P348 HydrophobicContact CZ3-CG 4.26Å; F330-P348 HydrophobicContact CD1-CB 3.64Å; F330-P348 HydrophobicContact CD1-CG 3.52Å; F330-P348 HydrophobicContact CE1-CB 3.85Å; F330-P348 HydrophobicContact CE1-CG 3.74Å; F330-P348 HydrophobicContact CG-CG 4.03Å; F330-P348 HydrophobicContact CZ-CG 4.42Å; K338-P348 HydrophobicContact CB-CB 4.22Å; K338-P348 VanDerWaalsContact CE-O 3.29Å; K338-P348 WeakPolarHBondContact CE-O 3.42Å; K338-P348 HydrophobicContact CG-CB 4.15Å; L340-P348 HydrophobicContact CD1-CB 4.4Å; L340-P348 HydrophobicContact CD2-CB 4.08Å; L340-P348 HydrophobicContact CD2-CG 4.12Å; R346-P348 VanDerWaalsContact C-CD 3.48Å; P348-W355 HydrophobicContact CG-CZ2 4Å
349	D	76.1	Confident	86.2	Confident	45 Å²	45	34.6 Å²	34.6	24%	0.241	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	10.3	-173.3	61.5	-15.6	0	0	0	114	F330 N347 Q351 W355	F330-D349 HydrophobicContact CE1-CB 4.01Å; F330-D349 HydrophobicContact CZ-CB 3.8Å; N347-D349 VanDerWaalsContact C-N 3.3Å; N347-D349 PolarHBondContact O-N 3.23Å; N347-D349 PolarHBondContact OD1-OD1 3.29Å; D349-Q351 VanDerWaalsContact C-N 3.3Å; D349-Q351 PolarHBondContact O-N 3.4Å; D349-Q351 WeakPolarHBondContact OD1-CG 3.49Å; D349-Q351 PolarHBondContact OD2-NE2 2.88Å; D349-W355 PolarHBondContact OD1-NE1 2.74Å
350	G	69.1	Low	86.3	Confident	8 Å²	8	34.8 Å²	34.8	8%	0.082	17%	0.168	C	C	.	.			trans	65.7	30.9	174.4	0	0	0	0	0	114	R300 E302 N347	R300-G350 WeakPolarHBondContact CD-O 3.38Å; R300-G350 PolarHBondContact NH1-O 3.37Å; E302-G350 WeakPolarHBondContact OE1-CA 3.34Å; N347-G350 PolarHBondContact OD1-N 3.01Å
351	Q	67.5	Low	86.2	Confident	69 Å²	69	38.8 Å²	38.8	32%	0.322	19%	0.194	S	C	.	.			trans	-64.9	178.1	170.4	-77.9	-165.8	55	0	0	111.7	R300 N347 D349 F353 F367	R300-Q351 WeakPolarHBondContact CB-O 3.11Å; N347-Q351 PolarHBondContact ND2-N 3.46Å; N347-Q351 PolarHBondContact ND2-O 3.42Å; N347-Q351 PolarHBondContact OD1-N 3Å; D349-Q351 VanDerWaalsContact C-N 3.3Å; D349-Q351 PolarHBondContact O-N 3.4Å; D349-Q351 WeakPolarHBondContact OD1-CG 3.49Å; D349-Q351 PolarHBondContact OD2-NE2 2.88Å; Q351-F353 VanDerWaalsContact C-N 3.31Å; Q351-F353 PolarHBondContact O-N 3.44Å; Q351-F367 HydrophobicContact CB-CE1 4.33Å; Q351-F367 VanDerWaalsContact OE1-CE1 3.27Å
352	E	66.4	Low	86	Confident	140 Å²	140	42.9 Å²	42.9	65%	0.654	21%	0.206	S	C	*	.	S	Bend	trans	-69.6	-26.6	-172	-161.6	179.2	172.3	0	0	113.6
353	F	77.4	Confident	85.1	Confident	52 Å²	52	41.3 Å²	41.3	23%	0.228	20%	0.202	C	C	.	.	S	Bend	trans	-142.9	157.6	-178.7	-62	-87.2	0	0	0	111.5	Y297 Q351 W355 F367 T369	Y297-F353 HydrophobicContact CE1-CD1 4.32Å; Y297-F353 AromaticContact CZ-CD1 3.87Å; Y297-F353 VanDerWaalsContact OH-CD1 3.25Å; Y297-F353 WeakPolarHBondContact OH-CD1 3.41Å; Y297-F353 WeakPolarHBondContact OH-CE1 3.28Å; Q351-F353 VanDerWaalsContact C-N 3.31Å; Q351-F353 PolarHBondContact O-N 3.44Å; F353-W355 PolarHBondContact O-N 3.05Å; F353-F367 HydrophobicContact CB-CB 4.29Å; F353-F367 HydrophobicContact CB-CD1 4.01Å; F353-F367 HydrophobicContact CB-CG 4.37Å; F353-T369 HydrophobicContact CG-CG2 4.42Å
354	P	85.4	Confident	84.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.			trans	-52.9	137.2	162.6	-22.4	32.8	0	0	0	111.1	Y297 Y304 C345 C368 I371	Y297-P354 HydrophobicContact CD1-CG 4.25Å; Y297-P354 HydrophobicContact CG-CG 4.11Å; Y304-P354 HydrophobicContact CD1-CB 4.24Å; Y304-P354 HydrophobicContact CD1-CG 4.29Å; Y304-P354 HydrophobicContact CG-CG 4.35Å; C345-P354 HydrophobicContact CB-CB 4.23Å; P354-C368 WeakPolarHBondContact O-CB 3.36Å; P354-C368 PolarHBondContact O-N 2.6Å; P354-I371 HydrophobicContact CB-CD1 3.87Å; P354-I371 HydrophobicContact CG-CD1 4.24Å
355	W	91.8	Very high	84	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.019	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	170.8	-176.1	63.4	-90.6	0	0	0	111	W320 F330 C345 R346 P348 D349 F353 F357 T365 M366 F367	W320-W355 HydrophobicContact CH2-CD2 4.47Å; W320-W355 HydrophobicContact CH2-CE3 4.14Å; W320-W355 HydrophobicContact CH2-CH2 4.06Å; W320-W355 HydrophobicContact CH2-CZ2 4.42Å; W320-W355 AromaticContact CH2-CZ3 3.9Å; W320-W355 HydrophobicContact CH2-CZ3 3.9Å; W320-W355 WeakPolarHBondContact CZ2-O 3.21Å; W320-W355 HydrophobicContact CZ3-CH2 4Å; W320-W355 HydrophobicContact CZ3-CZ3 4.09Å; F330-W355 AromaticContact CD2-CH2 3.82Å; F330-W355 HydrophobicContact CD2-CH2 3.82Å; F330-W355 HydrophobicContact CD2-CZ2 4.28Å; F330-W355 AromaticContact CE2-CH2 3.73Å; F330-W355 HydrophobicContact CE2-CH2 3.73Å; F330-W355 AromaticContact CE2-CZ2 3.9Å; F330-W355 HydrophobicContact CE2-CZ2 3.9Å; F330-W355 HydrophobicContact CZ-CH2 4.48Å; F330-W355 HydrophobicContact CZ-CZ2 4.2Å; C345-W355 WeakPolarHBondContact CA-O 2.99Å; R346-W355 PolarHBondContact N-O 3.21Å; R346-W355 PolarHBondContact O-N 3.41Å; P348-W355 HydrophobicContact CG-CZ2 4Å; D349-W355 PolarHBondContact OD1-NE1 2.74Å; F353-W355 PolarHBondContact O-N 3.05Å; W355-F357 HydrophobicContact CH2-CD2 4.44Å; W355-F357 AromaticContact CH2-CE2 3.7Å; W355-F357 HydrophobicContact CH2-CE2 3.7Å; W355-F357 AromaticContact CH2-CZ 3.74Å; W355-F357 HydrophobicContact CH2-CZ 3.74Å; W355-F357 HydrophobicContact CZ3-CD1 4.45Å; W355-F357 AromaticContact CZ3-CD2 3.9Å; W355-F357 HydrophobicContact CZ3-CD2 3.9Å; W355-F357 HydrophobicContact CZ3-CE1 4.17Å; W355-F357 AromaticContact CZ3-CE2 3.59Å; W355-F357 HydrophobicContact CZ3-CE2 3.59Å; W355-F357 HydrophobicContact CZ3-CG 4.3Å; W355-F357 AromaticContact CZ3-CZ 3.71Å; W355-F357 HydrophobicContact CZ3-CZ 3.71Å; W355-T365 HydrophobicContact CE3-CG2 3.79Å; W355-T365 HydrophobicContact CH2-CG2 4.4Å; W355-T365 HydrophobicContact CZ3-CG2 3.49Å; W355-T365 VanDerWaalsContact CZ3-CG2 3.49Å; W355-M366 WeakPolarHBondContact CA-O 3.25Å; W355-M366 VanDerWaalsContact CB-O 3.32Å; W355-M366 WeakPolarHBondContact CB-O 3.15Å; W355-F367 HydrophobicContact CB-CD1 3.83Å; W355-F367 HydrophobicContact CB-CE1 4.34Å
356	C	94.2	Very high	83.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.6	172.3	68.8	0	0	0	0	111.1	C317 W320 T365 M366	C317-C356 VanDerWaalsContact CA-SG 3.6Å; C317-C356 HydrophobicContact CB-CB 3.51Å; C317-C356 WeakPolarHBondContact CB-SG 3.24Å; C317-C356 WeakPolarHBondContact SG-CB 2.99Å; C317-C356 CovalentContact SG-SG 2.02Å; C317-C356 PolarHBondContact SG-SG 2.94Å; W320-C356 HydrophobicContact CZ2-CB 4.39Å; C356-T365 WeakPolarHBondContact O-CA 2.82Å; C356-M366 PolarHBondContact N-O 3.16Å; C356-M366 VanDerWaalsContact N-O 3.15Å; C356-M366 PolarHBondContact O-N 3.08Å; C356-M366 VanDerWaalsContact O-N 3.08Å
357	F	95.1	Very high	82.8	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	145.6	161.1	-69.1	-78.2	0	0	0	108.7	C317 Q318 W320 H326 H328 F330 W355 R364 T365	C317-F357 CarbonylContact C-O 3.58Å; C317-F357 VanDerWaalsContact CA-O 3.28Å; C317-F357 WeakPolarHBondContact CA-O 3.4Å; Q318-F357 HydrophobicContact CB-CB 3.84Å; Q318-F357 HydrophobicContact CG-CB 4.34Å; Q318-F357 PolarHBondContact N-O 3.33Å; W320-F357 HydrophobicContact CE3-CD2 4.14Å; W320-F357 HydrophobicContact CE3-CE2 4.21Å; W320-F357 HydrophobicContact CH2-CD2 4.49Å; W320-F357 AromaticContact CZ3-CD2 3.82Å; W320-F357 HydrophobicContact CZ3-CD2 3.82Å; W320-F357 AromaticContact CZ3-CE2 3.73Å; W320-F357 HydrophobicContact CZ3-CE2 3.73Å; H326-F357 HydrophobicContact CB-CD1 3.96Å; H328-F357 HydrophobicContact CB-CD2 4.39Å; H328-F357 HydrophobicContact CB-CE1 3.82Å; H328-F357 HydrophobicContact CB-CE2 3.57Å; H328-F357 HydrophobicContact CB-CZ 3.26Å; H328-F357 AromaticContact CD2-CD2 3.29Å; H328-F357 WeakPolarHBondContact CD2-CD2 3.46Å; H328-F357 AromaticContact CD2-CE2 3.31Å; H328-F357 WeakPolarHBondContact CD2-CE2 3.37Å; H328-F357 AromaticContact CD2-CG 3.76Å; H328-F357 AromaticContact CD2-CZ 3.81Å; H328-F357 AromaticContact CE1-CE2 3.99Å; H328-F357 AromaticContact CG-CD2 3.81Å; H328-F357 AromaticContact CG-CE2 3.29Å; H328-F357 AromaticContact CG-CZ 3.58Å; H328-F357 AromaticContact ND1-CE2 3.75Å; H328-F357 AromaticContact NE2-CD2 3.52Å; H328-F357 AromaticContact NE2-CE2 3.76Å; F330-F357 HydrophobicContact CD2-CE2 4Å; F330-F357 HydrophobicContact CD2-CZ 4.02Å; W355-F357 HydrophobicContact CH2-CD2 4.44Å; W355-F357 AromaticContact CH2-CE2 3.7Å; W355-F357 HydrophobicContact CH2-CE2 3.7Å; W355-F357 AromaticContact CH2-CZ 3.74Å; W355-F357 HydrophobicContact CH2-CZ 3.74Å; W355-F357 HydrophobicContact CZ3-CD1 4.45Å; W355-F357 AromaticContact CZ3-CD2 3.9Å; W355-F357 HydrophobicContact CZ3-CD2 3.9Å; W355-F357 HydrophobicContact CZ3-CE1 4.17Å; W355-F357 AromaticContact CZ3-CE2 3.59Å; W355-F357 HydrophobicContact CZ3-CE2 3.59Å; W355-F357 HydrophobicContact CZ3-CG 4.3Å; W355-F357 AromaticContact CZ3-CZ 3.71Å; W355-F357 HydrophobicContact CZ3-CZ 3.71Å; F357-R364 WeakPolarHBondContact CA-O 3.49Å; F357-R364 HydrophobicContact CD1-CG 4.28Å; F357-R364 WeakPolarHBondContact CD1-O 3.44Å; F357-R364 HydrophobicContact CE1-CG 4.33Å; F357-T365 HydrophobicContact CD1-CG2 3.54Å; F357-T365 HydrophobicContact CE1-CG2 3.5Å; F357-T365 VanDerWaalsContact CE1-CG2 3.5Å; F357-T365 HydrophobicContact CG-CG2 4.29Å; F357-T365 HydrophobicContact CZ-CG2 4.24Å
358	T	93.8	Very high	82.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-100.5	155.5	-179.8	94.2	0	0	0	0	111.5	T311 H326 D360 V363 R364 M366	T311-T358 HydrophobicContact CG2-CG2 4.33Å; H326-T358 PolarHBondContact CD2-O 3.48Å; H326-T358 PolarHBondContact NE2-O 2.93Å; T358-D360 PolarHBondContact O-N 3.4Å; T358-D360 PolarHBondContact OG1-N 3.15Å; T358-D360 VanDerWaalsContact OG1-N 3.13Å; T358-D360 PolarHBondContact OG1-O 3.23Å; T358-V363 WeakPolarHBondContact CB-O 3.26Å; T358-V363 HydrophobicContact CG2-CB 4.43Å; T358-V363 HydrophobicContact CG2-CG1 3.95Å; T358-V363 PolarHBondContact OG1-O 3.1Å; T358-R364 PolarHBondContact N-O 2.74Å; T358-M366 HydrophobicContact CG2-CB 3.84Å
359	T	93.1	Very high	82.2	Confident	71 Å²	71	56.2 Å²	56.2	44%	0.436	28%	0.277	S	S	.	.	S	Bend	trans	-74.5	-6.1	173	58.1	0	0	0	0	113.6	A316 P361	A316-T359 HydrophobicContact CB-CG2 4.11Å; A316-T359 PolarHBondContact O-N 2Å; A316-T359 PolarHBondContact O-OG1 3.12Å; T359-P361 WeakPolarHBondContact O-CD 3.16Å
360	D	86.1	Confident	82	Confident	25 Å²	25	58.3 Å²	58.3	13%	0.134	29%	0.285	C	S	.	.	S	Bend	trans	-85.6	120.3	174.4	-170.6	-31.1	0	0	0	110.1	L315 H326 T358 R362 V363	L315-D360 HydrophobicContact CD1-CB 4.43Å; L315-D360 HydrophobicContact CD2-CB 4.42Å; H326-D360 PolarHBondContact CE1-O 3.39Å; H326-D360 PolarHBondContact NE2-O 3.43Å; T358-D360 PolarHBondContact O-N 3.4Å; T358-D360 PolarHBondContact OG1-N 3.15Å; T358-D360 VanDerWaalsContact OG1-N 3.13Å; T358-D360 PolarHBondContact OG1-O 3.23Å; D360-R362 PolarHBondContact O-N 3.15Å; D360-R362 VanDerWaalsContact OD1-CB 3.29Å; D360-R362 WeakPolarHBondContact OD1-CB 3.23Å; D360-R362 WeakPolarHBondContact OD1-CG 3.33Å; D360-R362 IonicContact OD1-CZ 3.46Å; D360-R362 PolarHBondContact OD1-N 2.8Å; D360-R362 IonicContact OD1-NE 3.3Å; D360-R362 PolarHBondContact OD1-NE 2.91Å; D360-R362 VanDerWaalsContact OD1-NE 3.09Å; D360-R362 IonicContact OD1-NH2 2.75Å; D360-R362 IonicContact OD2-CZ 2.89Å; D360-R362 IonicContact OD2-NE 3.88Å; D360-R362 PolarHBondContact OD2-NE 3.18Å; D360-R362 IonicContact OD2-NH2 3.94Å; D360-R362 PolarHBondContact OD2-NH2 3.47Å; D360-V363 HydrophobicContact CB-CB 4.5Å; D360-V363 CarbonylContact O-C 3.48Å; D360-V363 PolarHBondContact O-N 3.06Å; D360-V363 VanDerWaalsContact O-N 3.1Å
361	P	88.3	Confident	82.3	Confident	89 Å²	89	58.3 Å²	58.3	58%	0.578	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.8	177.7	-23.4	33.4	0	0	0	114.7	P325 H326 T359	P325-P361 HydrophobicContact CB-CB 4.25Å; P325-P361 HydrophobicContact CB-CG 3.96Å; P325-P361 HydrophobicContact CG-CG 4.47Å; H326-P361 PolarHBondContact CE1-O 3.4Å; T359-P361 WeakPolarHBondContact O-CD 3.16Å
362	R	83.6	Confident	82.5	Confident	211 Å²	211	58.7 Å²	58.7	80%	0.796	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-19.7	179.8	-58.3	171	-65	178.6	3.9	113	D360	D360-R362 PolarHBondContact O-N 3.15Å; D360-R362 VanDerWaalsContact OD1-CB 3.29Å; D360-R362 WeakPolarHBondContact OD1-CB 3.23Å; D360-R362 WeakPolarHBondContact OD1-CG 3.33Å; D360-R362 IonicContact OD1-CZ 3.46Å; D360-R362 PolarHBondContact OD1-N 2.8Å; D360-R362 IonicContact OD1-NE 3.3Å; D360-R362 PolarHBondContact OD1-NE 2.91Å; D360-R362 VanDerWaalsContact OD1-NE 3.09Å; D360-R362 IonicContact OD1-NH2 2.75Å; D360-R362 IonicContact OD2-CZ 2.89Å; D360-R362 IonicContact OD2-NE 3.88Å; D360-R362 PolarHBondContact OD2-NE 3.18Å; D360-R362 IonicContact OD2-NH2 3.94Å; D360-R362 PolarHBondContact OD2-NH2 3.47Å
363	V	74.9	Confident	82.7	Confident	49 Å²	49	56.7 Å²	56.7	30%	0.297	28%	0.282	S	S	.	.			trans	-122.9	100.6	-176.5	-176.1	0	0	0	0	108.6	L315 H326 T358 D360	L315-V363 HydrophobicContact CD1-CB 4.47Å; H326-V363 PolarHBondContact NE2-O 3.16Å; T358-V363 WeakPolarHBondContact CB-O 3.26Å; T358-V363 HydrophobicContact CG2-CB 4.43Å; T358-V363 HydrophobicContact CG2-CG1 3.95Å; T358-V363 PolarHBondContact OG1-O 3.1Å; D360-V363 HydrophobicContact CB-CB 4.5Å; D360-V363 CarbonylContact O-C 3.48Å; D360-V363 PolarHBondContact O-N 3.06Å; D360-V363 VanDerWaalsContact O-N 3.1Å
364	R	82.3	Confident	82.4	Confident	124 Å²	124	55.1 Å²	55.1	47%	0.468	28%	0.278	S	S	.	.			trans	-66.1	-49.6	-172.5	-172.1	174.3	168.7	76.1	1.2	113.4	H326 N327 F357 T358	H326-R364 HydrophobicContact CB-CG 4.32Å; H326-R364 PolarHBondContact CD2-O 3.11Å; N327-R364 PolarHBondContact O-NH1 3.21Å; N327-R364 VanDerWaalsContact O-NH1 3.11Å; N327-R364 PolarHBondContact O-NH2 3.23Å; F357-R364 WeakPolarHBondContact CA-O 3.49Å; F357-R364 HydrophobicContact CD1-CG 4.28Å; F357-R364 WeakPolarHBondContact CD1-O 3.44Å; F357-R364 HydrophobicContact CE1-CG 4.33Å; T358-R364 PolarHBondContact N-O 2.74Å
365	T	83.4	Confident	81.1	Confident	63 Å²	63	59 Å²	59	39%	0.387	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157.6	-179.7	56.8	0	0	0	0	110.6	W355 C356 F357	W355-T365 HydrophobicContact CE3-CG2 3.79Å; W355-T365 HydrophobicContact CH2-CG2 4.4Å; W355-T365 HydrophobicContact CZ3-CG2 3.49Å; W355-T365 VanDerWaalsContact CZ3-CG2 3.49Å; C356-T365 WeakPolarHBondContact O-CA 2.82Å; F357-T365 HydrophobicContact CD1-CG2 3.54Å; F357-T365 HydrophobicContact CE1-CG2 3.5Å; F357-T365 VanDerWaalsContact CE1-CG2 3.5Å; F357-T365 HydrophobicContact CG-CG2 4.29Å; F357-T365 HydrophobicContact CZ-CG2 4.24Å
366	M	77.8	Confident	79	Confident	63 Å²	63	61.9 Å²	61.9	31%	0.31	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	146.3	174.8	-169.2	166	-127.2	0	0	111.4	T311 S313 W355 C356 T358	T311-M366 WeakPolarHBondContact CB-SD 2.92Å; T311-M366 HydrophobicContact CG2-CB 3.73Å; T311-M366 HydrophobicContact CG2-CG 3.96Å; T311-M366 HydrophobicContact CG2-SD 3.81Å; T311-M366 PolarHBondContact OG1-SD 3.37Å; S313-M366 PolarHBondContact OG-SD 2.01Å; W355-M366 WeakPolarHBondContact CA-O 3.25Å; W355-M366 VanDerWaalsContact CB-O 3.32Å; W355-M366 WeakPolarHBondContact CB-O 3.15Å; C356-M366 PolarHBondContact N-O 3.16Å; C356-M366 VanDerWaalsContact N-O 3.15Å; C356-M366 PolarHBondContact O-N 3.08Å; C356-M366 VanDerWaalsContact O-N 3.08Å; T358-M366 HydrophobicContact CG2-CB 3.84Å
367	F	81.6	Confident	76.3	Confident	80 Å²	80	70.5 Å²	70.5	35%	0.351	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137.6	176	-62.2	-59.8	0	0	0	111.7	P312 Q351 F353 W355 T369	P312-F367 WeakPolarHBondContact CD-O 3.33Å; P312-F367 WeakPolarHBondContact CG-O 3.34Å; Q351-F367 HydrophobicContact CB-CE1 4.33Å; Q351-F367 VanDerWaalsContact OE1-CE1 3.27Å; F353-F367 HydrophobicContact CB-CB 4.29Å; F353-F367 HydrophobicContact CB-CD1 4.01Å; F353-F367 HydrophobicContact CB-CG 4.37Å; W355-F367 HydrophobicContact CB-CD1 3.83Å; W355-F367 HydrophobicContact CB-CE1 4.34Å; F367-T369 VanDerWaalsContact C-N 3.26Å; F367-T369 HydrophobicContact CB-CG2 3.69Å; F367-T369 PolarHBondContact O-N 3.05Å
368	C	80.4	Confident	73.8	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	42%	0.417	C	S	.	.			trans	-89.5	58	175.8	-58.9	0	0	0	0	110.9	C345 P354 H370 I371	C345-C368 HydrophobicContact CB-CB 3.5Å; C345-C368 WeakPolarHBondContact CB-SG 3.33Å; C345-C368 WeakPolarHBondContact SG-CB 3.47Å; C345-C368 CovalentContact SG-SG 2.02Å; C345-C368 PolarHBondContact SG-SG 3.04Å; P354-C368 WeakPolarHBondContact O-CB 3.36Å; P354-C368 PolarHBondContact O-N 2.6Å; C368-H370 PolarHBondContact O-N 3.2Å; C368-I371 HydrophobicContact CB-CD1 3.55Å; C368-I371 HydrophobicContact CB-CG1 4.29Å; C368-I371 WeakPolarHBondContact O-CG1 3.46Å; C368-I371 PolarHBondContact O-N 3.37Å; C368-I371 VanDerWaalsContact O-N 3.16Å
369	T	77	Confident	70.7	Confident	80 Å²	80	81.9 Å²	81.9	49%	0.491	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	2.8	-174.8	67.4	0	0	0	0	114.7	P312 F353 F367	P312-T369 VanDerWaalsContact CG-OG1 3.23Å; P312-T369 WeakPolarHBondContact CG-OG1 3.45Å; F353-T369 HydrophobicContact CG-CG2 4.42Å; F367-T369 VanDerWaalsContact C-N 3.26Å; F367-T369 HydrophobicContact CB-CG2 3.69Å; F367-T369 PolarHBondContact O-N 3.05Å
370	H	72.9	Confident	68	Low	89 Å²	89	83.1 Å²	83.1	41%	0.412	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-12.9	174.8	66.1	-82.7	0	0	0	111.9	A308 T310 C368	A308-H370 WeakPolarHBondContact CB-NE2 3.2Å; T310-H370 PolarHBondContact O-CE1 3.43Å; T310-H370 PolarHBondContact O-ND1 3.19Å; C368-H370 PolarHBondContact O-N 3.2Å
371	I	75.6	Confident	65.8	Low	8 Å²	8	88.2 Å²	88.2	4%	0.041	49%	0.485	C	S	.	.	S	Bend	trans	-74.9	124.3	173.9	-57.1	158.7	0	0	0	108	Y297 Y304 A308 C345 P354 C368	Y297-I371 HydrophobicContact CD1-CB 4.26Å; Y297-I371 HydrophobicContact CD1-CG2 3.92Å; Y297-I371 VanDerWaalsContact CE1-O 3.29Å; Y297-I371 WeakPolarHBondContact CE1-O 3.29Å; Y304-I371 HydrophobicContact CD1-CD1 4.07Å; Y304-I371 HydrophobicContact CD2-CG2 3.93Å; Y304-I371 HydrophobicContact CE1-CD1 3.46Å; Y304-I371 VanDerWaalsContact CE1-CD1 3.46Å; Y304-I371 HydrophobicContact CE1-CG1 4.24Å; Y304-I371 HydrophobicContact CE1-CG2 4.29Å; Y304-I371 HydrophobicContact CE2-CG2 3.38Å; A308-I371 HydrophobicContact CB-CD1 3.91Å; A308-I371 HydrophobicContact CB-CG1 3.8Å; C345-I371 HydrophobicContact CB-CD1 3.74Å; P354-I371 HydrophobicContact CB-CD1 3.87Å; P354-I371 HydrophobicContact CG-CD1 4.24Å; C368-I371 HydrophobicContact CB-CD1 3.55Å; C368-I371 HydrophobicContact CB-CG1 4.29Å; C368-I371 WeakPolarHBondContact O-CG1 3.46Å; C368-I371 PolarHBondContact O-N 3.37Å; C368-I371 VanDerWaalsContact O-N 3.16Å
372	P	70.6	Confident	63.6	Low	77 Å²	77	86.4 Å²	86.4	50%	0.5	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-74.6	166.6	-179.6	28	-31.9	0	0	0	112.6	E295 C296 Y297	E295-P372 VanDerWaalsContact O-CD 3.29Å; E295-P372 WeakPolarHBondContact O-CD 3.39Å; E295-P372 VanDerWaalsContact O-CG 3.26Å; E295-P372 WeakPolarHBondContact O-CG 3.24Å; C296-P372 CarbonylContact C-O 3.22Å; C296-P372 VanDerWaalsContact C-O 3.26Å; C296-P372 WeakPolarHBondContact CA-O 3Å; C296-P372 HydrophobicContact CB-CB 4.34Å; C296-P372 HydrophobicContact CB-CG 3.94Å; C296-P372 WeakPolarHBondContact CB-O 3.45Å; Y297-P372 VanDerWaalsContact CD1-O 3.27Å; Y297-P372 WeakPolarHBondContact CD1-O 3.28Å; Y297-P372 PolarHBondContact N-O 2.85Å
373	Q	71.2	Confident	62.1	Low	98 Å²	98	80.5 Å²	80.5	46%	0.458	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-97.1	138.6	176.1	-166.3	179.5	-9.2	0	0	111.5	Y297 V376	Y297-Q373 HydrophobicContact CE1-CB 4.47Å; Y297-Q373 HydrophobicContact CE2-CG 4.27Å; Y297-Q373 CarbonylContact O-C 3.49Å; Y297-Q373 WeakPolarHBondContact O-CA 3.41Å; Y297-Q373 WeakPolarHBondContact O-CG 3.14Å; Q373-V376 HydrophobicContact CB-CG2 4.46Å; Q373-V376 VanDerWaalsContact O-CG2 3.31Å; Q373-V376 WeakPolarHBondContact O-CG2 3.41Å
374	C	71.3	Confident	61.6	Low	19 Å²	19	78.7 Å²	78.7	13%	0.128	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	160	-176.1	-51.6	0	0	0	0	113.6	T293 C296 Y297 E298 V376	T293-C374 WeakPolarHBondContact CB-SG 3.44Å; T293-C374 HydrophobicContact CG2-CB 4.19Å; T293-C374 WeakPolarHBondContact CG2-SG 3.47Å; C296-C374 HydrophobicContact CB-CB 4.02Å; C296-C374 WeakPolarHBondContact CB-SG 3.32Å; C296-C374 PolarHBondContact O-SG 3.4Å; C296-C374 VanDerWaalsContact O-SG 3.33Å; C296-C374 WeakPolarHBondContact SG-CA 3.49Å; C296-C374 WeakPolarHBondContact SG-CB 3.22Å; C296-C374 CovalentContact SG-SG 2.02Å; C296-C374 PolarHBondContact SG-SG 2.95Å; Y297-C374 PolarHBondContact O-N 3.37Å; E298-C374 HydrophobicContact CG-CB 3.52Å; E298-C374 WeakPolarHBondContact OE1-CB 3.46Å; C374-V376 PolarHBondContact O-N 3.12Å
375	G	57.6	Low	60.9	Low	82 Å²	82	73.7 Å²	73.7	85%	0.845	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-1	-172.9	0	0	0	0	0	113.7	Q377	G375-Q377 VanDerWaalsContact C-N 3.33Å; G375-Q377 PolarHBondContact O-N 3.47Å
376	V	48.9	Very low	59.8	Low	66 Å²	66	76.6 Å²	76.6	40%	0.4	44%	0.442	S	S	.	.			trans	-91.8	65.4	173.7	-167.5	0	0	0	0	109.1	Q373 C374 N378 S379	Q373-V376 HydrophobicContact CB-CG2 4.46Å; Q373-V376 VanDerWaalsContact O-CG2 3.31Å; Q373-V376 WeakPolarHBondContact O-CG2 3.41Å; C374-V376 PolarHBondContact O-N 3.12Å; V376-N378 PolarHBondContact O-N 3.14Å; V376-N378 VanDerWaalsContact O-N 3.12Å; V376-S379 WeakPolarHBondContact CG1-O 3.26Å
377	Q	36.5	Very low	59.2	Low	181 Å²	181	75.8 Å²	75.8	85%	0.846	45%	0.449	S	S	*	.	S	Bend	trans	-69.8	102.4	162.3	-87.3	-95	-11.8	0	0	107.5	G375 S379	G375-Q377 VanDerWaalsContact C-N 3.33Å; G375-Q377 PolarHBondContact O-N 3.47Å; Q377-S379 PolarHBondContact O-N 3.4Å; Q377-S379 VanDerWaalsContact O-N 3.14Å
378	N	42.8	Very low	58.3	Low	166 Å²	166	76.7 Å²	76.7	89%	0.888	45%	0.453	S	S	*	.	S	Bend	trans	35.5	61.5	169.6	-77.4	-21.9	0	0	0	116	V376	V376-N378 PolarHBondContact O-N 3.14Å; V376-N378 VanDerWaalsContact O-N 3.12Å
379	S	30	Very low	57.8	Low	78 Å²	78	76.8 Å²	76.8	55%	0.545	45%	0.454	S	S	.	.			trans	-147.6	123.9	142.4	-169.7	0	0	0	0	106.6	V376 Q377 V381	V376-S379 WeakPolarHBondContact CG1-O 3.26Å; Q377-S379 PolarHBondContact O-N 3.4Å; Q377-S379 VanDerWaalsContact O-N 3.14Å; S379-V381 PolarHBondContact O-N 2.95Å
380	P	35.8	Very low	57.3	Low	97 Å²	97	75.9 Å²	75.9	63%	0.63	44%	0.444	S	S	*	.			trans	-58.9	117.7	172.5	27.2	-31.3	0	0	0	106.6	S382	P380-S382 PolarHBondContact O-N 3.14Å; P380-S382 PolarHBondContact O-OG 3.12Å
381	V	39.4	Very low	56.9	Low	133 Å²	133	78.1 Å²	78.1	81%	0.806	46%	0.459	S	S	*	.			trans	-71.6	71.3	151.7	-175.6	0	0	0	0	104.5	S379 D383	S379-V381 PolarHBondContact O-N 2.95Å; V381-D383 PolarHBondContact O-N 3.23Å
382	S	42.1	Very low	56.7	Low	51 Å²	51	78.9 Å²	78.9	36%	0.357	46%	0.462	S	S	.	.			trans	-61.1	125.3	178.6	34.2	0	0	0	0	105.7	P380 C384	P380-S382 PolarHBondContact O-N 3.14Å; P380-S382 PolarHBondContact O-OG 3.12Å; S382-C384 WeakPolarHBondContact CB-SG 3.31Å; S382-C384 PolarHBondContact O-N 3.06Å; S382-C384 PolarHBondContact O-SG 3.06Å; S382-C384 PolarHBondContact OG-SG 3.03Å
383	D	51.9	Low	56.7	Low	86 Å²	86	81.4 Å²	81.4	46%	0.46	47%	0.467	S	S	.	.	S	Bend	trans	-66.2	65.7	166.3	-158.6	17.9	0	0	0	108.4	V381 Y392 M463 K464	V381-D383 PolarHBondContact O-N 3.23Å; D383-Y392 PolarHBondContact OD1-OH 3.06Å; D383-M463 WeakPolarHBondContact O-CB 3.49Å; D383-K464 PolarHBondContact O-N 3.33Å
384	C	64.9	Low	56.8	Low	11 Å²	11	77.9 Å²	77.9	7%	0.074	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	152.8	-171	67.3	0	0	0	0	109.3	S382 K464 C466	S382-C384 WeakPolarHBondContact CB-SG 3.31Å; S382-C384 PolarHBondContact O-N 3.06Å; S382-C384 PolarHBondContact O-SG 3.06Å; S382-C384 PolarHBondContact OG-SG 3.03Å; C384-K464 CarbonylContact C-O 3.57Å; C384-K464 WeakPolarHBondContact CA-O 3.41Å; C384-K464 HydrophobicContact CB-CB 4.23Å; C384-K464 WeakPolarHBondContact CB-O 3.39Å; C384-C466 HydrophobicContact CB-CB 4.1Å; C384-C466 WeakPolarHBondContact CB-SG 3.33Å; C384-C466 PolarHBondContact O-SG 2.89Å; C384-C466 VanDerWaalsContact O-SG 3.33Å; C384-C466 WeakPolarHBondContact SG-CA 3.21Å; C384-C466 WeakPolarHBondContact SG-CB 3.41Å; C384-C466 PolarHBondContact SG-N 3.44Å; C384-C466 CovalentContact SG-SG 2Å; C384-C466 PolarHBondContact SG-SG 2.97Å
385	F	66.7	Low	57.1	Low	19 Å²	19	84.3 Å²	84.3	8%	0.083	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.3	176.4	59.4	-89.2	0	0	0	109.6	G387 F388 G389 Y392 P447 M463 K464 N465 C466	F385-G387 WeakPolarHBondContact CD2-O 3.39Å; F385-G387 WeakPolarHBondContact CE2-O 3.26Å; F385-F388 VanDerWaalsContact CD2-C 3.41Å; F385-G389 VanDerWaalsContact CD2-N 3.35Å; F385-Y392 HydrophobicContact CB-CD2 3.88Å; F385-Y392 HydrophobicContact CB-CG 4.16Å; F385-P447 HydrophobicContact CB-CG 4.13Å; F385-P447 HydrophobicContact CD1-CG 4Å; F385-P447 HydrophobicContact CG-CG 4.02Å; F385-M463 HydrophobicContact CD1-CB 4.17Å; F385-M463 HydrophobicContact CD1-CE 4.3Å; F385-M463 HydrophobicContact CE1-CB 4.44Å; F385-K464 WeakPolarHBondContact CD1-O 3.37Å; F385-K464 PolarHBondContact N-O 3.16Å; F385-K464 VanDerWaalsContact N-O 3.16Å; F385-N465 HydrophobicContact CE2-CB 4.41Å; F385-N465 HydrophobicContact CZ-CB 4.41Å; F385-N465 PolarHBondContact O-OD1 3.12Å; F385-N465 VanDerWaalsContact O-OD1 3.08Å; F385-C466 VanDerWaalsContact C-SG 3.59Å; F385-C466 PolarHBondContact O-N 3.14Å
386	L	60.5	Low	58.2	Low	125 Å²	125	82.2 Å²	82.2	65%	0.654	45%	0.453	S	S	*	.	S	Bend	trans	-83.4	142.9	170.3	-69.7	167	0	0	0	109.8	F388 G389 C466	L386-F388 PolarHBondContact O-N 2.95Å; L386-G389 PolarHBondContact O-N 3.25Å; L386-C466 HydrophobicContact CD2-CB 3.68Å; L386-C466 HydrophobicContact CG-CB 4.36Å
387	G	65.5	Low	59.8	Low	45 Å²	45	80.9 Å²	80.9	46%	0.464	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	-120.8	-176.9	0	0	0	0	0	111.5	F385 N465	F385-G387 WeakPolarHBondContact CD2-O 3.39Å; F385-G387 WeakPolarHBondContact CE2-O 3.26Å; G387-N465 PolarHBondContact O-ND2 3.23Å
388	F	62.9	Low	61.7	Low	99 Å²	99	78 Å²	78	43%	0.434	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1	172.7	-55.2	-44.5	0	0	0	113.5	F385 L386 E390 N439 K444 G446	F385-F388 VanDerWaalsContact CD2-C 3.41Å; L386-F388 PolarHBondContact O-N 2.95Å; F388-E390 HydrophobicContact CB-CG 4.38Å; F388-N439 PolarHBondContact O-ND2 2.79Å; F388-K444 VanDerWaalsContact CD1-CA 3.43Å; F388-K444 HydrophobicContact CD1-CB 3.84Å; F388-K444 WeakPolarHBondContact CD1-O 3.48Å; F388-K444 HydrophobicContact CD2-CB 4.48Å; F388-K444 HydrophobicContact CE1-CB 3.61Å; F388-K444 HydrophobicContact CE2-CB 4.29Å; F388-K444 HydrophobicContact CG-CB 4.28Å; F388-K444 HydrophobicContact CZ-CB 3.86Å; F388-G446 WeakPolarHBondContact O-CA 3.38Å
389	G	69.1	Low	63.3	Low	2 Å²	2	70.1 Å²	70.1	2%	0.021	39%	0.387	C	S	.	.	S	Bend	trans	78.4	25.5	-179.4	0	0	0	0	0	114.7	F385 L386 N391 Y392 N439	F385-G389 VanDerWaalsContact CD2-N 3.35Å; L386-G389 PolarHBondContact O-N 3.25Å; G389-N391 PolarHBondContact O-N 2.92Å; G389-Y392 VanDerWaalsContact O-CB 3.3Å; G389-Y392 WeakPolarHBondContact O-CB 3.47Å; G389-Y392 PolarHBondContact O-N 2.93Å; G389-Y392 VanDerWaalsContact O-N 3.11Å; G389-N439 WeakPolarHBondContact O-CB 3.48Å
390	E	68.3	Low	65.3	Low	61 Å²	61	69 Å²	69	29%	0.285	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.5	175.2	-51.8	-173.7	173.7	0	0	112	F388 K442	F388-E390 HydrophobicContact CB-CG 4.38Å; E390-K442 VanDerWaalsContact CD-CG 3.44Å; E390-K442 HydrophobicContact CG-CB 4.14Å; E390-K442 HydrophobicContact CG-CG 3.84Å; E390-K442 WeakPolarHBondContact OE1-CB 3.48Å; E390-K442 WeakPolarHBondContact OE1-CD 3.47Å; E390-K442 WeakPolarHBondContact OE1-CG 3.48Å; E390-K442 IonicContact OE1-NZ 3.74Å; E390-K442 WeakPolarHBondContact OE2-CE 3.36Å; E390-K442 IonicContact OE2-NZ 3.65Å; E390-K442 PolarHBondContact OE2-NZ 2.9Å
391	N	63.1	Low	66.5	Low	136 Å²	136	66.6 Å²	66.6	73%	0.727	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	15	178.5	-57.9	-24.7	0	0	0	111.9	G389 Q393	G389-N391 PolarHBondContact O-N 2.92Å; N391-Q393 PolarHBondContact O-N 3.47Å; N391-Q393 VanDerWaalsContact O-N 3.13Å
392	Y	71.8	Confident	68	Low	24 Å²	24	65 Å²	65	9%	0.094	34%	0.343	C	S	.	.			trans	-67.9	114.5	178.2	176.1	-95.2	0	0	0	109	D383 F385 G389 G394 Q396 C437 R438 P447 M463	D383-Y392 PolarHBondContact OD1-OH 3.06Å; F385-Y392 HydrophobicContact CB-CD2 3.88Å; F385-Y392 HydrophobicContact CB-CG 4.16Å; G389-Y392 VanDerWaalsContact O-CB 3.3Å; G389-Y392 WeakPolarHBondContact O-CB 3.47Å; G389-Y392 PolarHBondContact O-N 2.93Å; G389-Y392 VanDerWaalsContact O-N 3.11Å; Y392-G394 VanDerWaalsContact CZ-CA 3.4Å; Y392-G394 WeakPolarHBondContact OH-CA 3.49Å; Y392-Q396 HydrophobicContact CE1-CB 4.49Å; Y392-Q396 WeakPolarHBondContact OH-CB 3.5Å; Y392-Q396 PolarHBondContact OH-N 3.03Å; Y392-C437 VanDerWaalsContact CD1-O 3.31Å; Y392-C437 WeakPolarHBondContact CD1-O 3.38Å; Y392-C437 HydrophobicContact CE1-CB 4.5Å; Y392-R438 WeakPolarHBondContact O-CD 3.08Å; Y392-P447 HydrophobicContact CD1-CB 4.36Å; Y392-P447 HydrophobicContact CD1-CG 4.14Å; Y392-P447 HydrophobicContact CG-CG 4.18Å; Y392-M463 HydrophobicContact CD1-CE 3.95Å; Y392-M463 HydrophobicContact CD1-SD 4.4Å; Y392-M463 HydrophobicContact CE1-CE 3.64Å; Y392-M463 HydrophobicContact CE1-SD 3.57Å; Y392-M463 VanDerWaalsContact CE1-SD 3.57Å; Y392-M463 HydrophobicContact CE2-CE 4.3Å; Y392-M463 HydrophobicContact CE2-SD 3.78Å; Y392-M463 HydrophobicContact CG-CE 4.42Å; Y392-M463 PolarHBondContact OH-SD 3.17Å
393	Q	70.7	Confident	69.4	Low	130 Å²	130	64.2 Å²	64.2	61%	0.607	33%	0.334	S	S	*	.			trans	-112.4	12.8	178.7	-66.1	-168	-9.3	0	0	112.8	N391 R438	N391-Q393 PolarHBondContact O-N 3.47Å; N391-Q393 VanDerWaalsContact O-N 3.13Å; Q393-R438 PolarHBondContact O-NH2 2.71Å
394	G	72.4	Confident	70.8	Confident	24 Å²	24	64.2 Å²	64.2	25%	0.247	34%	0.339	C	S	.	.			trans	-67.6	172.5	179.8	0	0	0	0	0	113.5	Y392 R438	Y392-G394 VanDerWaalsContact CZ-CA 3.4Å; Y392-G394 WeakPolarHBondContact OH-CA 3.49Å; G394-R438 PolarHBondContact O-NH1 3.33Å; G394-R438 PolarHBondContact O-NH2 3.11Å
395	E	79.1	Confident	71.6	Confident	154 Å²	154	64 Å²	64	72%	0.72	34%	0.337	S	S	*	.			trans	-98.2	11.1	-167.5	-61	-174.1	171.3	0	0	113.9	S397 F436	E395-S397 PolarHBondContact O-N 2.71Å; E395-S397 VanDerWaalsContact O-N 3.16Å; E395-F436 VanDerWaalsContact C-CD1 3.47Å; E395-F436 HydrophobicContact CB-CD1 4.17Å; E395-F436 HydrophobicContact CB-CE1 3.83Å; E395-F436 HydrophobicContact CB-CZ 4.31Å; E395-F436 HydrophobicContact CG-CE1 4.33Å; E395-F436 HydrophobicContact CG-CZ 4.32Å; E395-F436 WeakPolarHBondContact O-CD1 3.08Å; E395-F436 VanDerWaalsContact O-CE1 3.32Å; E395-F436 WeakPolarHBondContact O-CE1 3.42Å
396	Q	79.1	Confident	72.3	Confident	38 Å²	38	63.1 Å²	63.1	18%	0.178	33%	0.334	C	S	.	.			trans	-57.2	125	176.1	-179.2	64.4	4	0	0	110.1	Y392 R398 F436 C437 C461 M463	Y392-Q396 HydrophobicContact CE1-CB 4.49Å; Y392-Q396 WeakPolarHBondContact OH-CB 3.5Å; Y392-Q396 PolarHBondContact OH-N 3.03Å; Q396-R398 PolarHBondContact NE2-O 3.03Å; Q396-F436 CarbonylContact O-C 3.53Å; Q396-F436 WeakPolarHBondContact O-CA 3.31Å; Q396-C437 HydrophobicContact CB-CB 4.34Å; Q396-C437 HydrophobicContact CG-CB 4.4Å; Q396-C437 WeakPolarHBondContact O-CB 3.37Å; Q396-C437 PolarHBondContact O-N 3.21Å; Q396-C437 PolarHBondContact O-SG 2.03Å; Q396-C461 HydrophobicContact CG-CB 4.19Å; Q396-M463 HydrophobicContact CB-CG 4.1Å; Q396-M463 HydrophobicContact CB-SD 3.4Å; Q396-M463 WeakPolarHBondContact CB-SD 3.4Å; Q396-M463 HydrophobicContact CG-CG 3.73Å; Q396-M463 HydrophobicContact CG-SD 3.66Å
397	S	82.6	Confident	73.3	Confident	39 Å²	39	58.5 Å²	58.5	27%	0.273	31%	0.311	S	S	.	.			trans	-131.2	20	-176.3	60.8	0	0	0	0	112.8	E395 C405	E395-S397 PolarHBondContact O-N 2.71Å; E395-S397 VanDerWaalsContact O-N 3.16Å; S397-C405 VanDerWaalsContact O-CB 3.28Å; S397-C405 WeakPolarHBondContact O-CB 3.3Å; S397-C405 PolarHBondContact O-N 3.36Å; S397-C405 PolarHBondContact O-SG 3.36Å
398	R	77.9	Confident	73.7	Confident	119 Å²	119	57.1 Å²	57.1	45%	0.449	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-124.6	136.2	175.2	-57.6	-174.8	80.4	161.2	3.5	111.4	Q396 N402 L403	Q396-R398 PolarHBondContact NE2-O 3.03Å; R398-N402 PolarHBondContact NE-OD1 2.02Å; R398-N402 PolarHBondContact NH2-O 2.9Å; R398-N402 VanDerWaalsContact NH2-O 3.11Å; R398-N402 PolarHBondContact NH2-OD1 2.9Å; R398-L403 WeakPolarHBondContact CA-O 3.37Å
399	T	74.6	Confident	74	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.012	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-72.2	165.5	172.6	78	0	0	0	0	110.5	S401 N402 L403 C449 T451 D459 Y460	T399-S401 PolarHBondContact O-N 3.34Å; T399-S401 PolarHBondContact OG1-N 3.44Å; T399-N402 VanDerWaalsContact O-CA 3.29Å; T399-N402 WeakPolarHBondContact O-CA 3.46Å; T399-N402 PolarHBondContact O-N 3.02Å; T399-L403 HydrophobicContact CG2-CB 4.44Å; T399-L403 PolarHBondContact N-O 3Å; T399-L403 WeakPolarHBondContact OG1-CB 3.33Å; T399-L403 PolarHBondContact OG1-N 3.01Å; T399-C449 WeakPolarHBondContact CG2-SG 3.15Å; T399-T451 HydrophobicContact CG2-CG2 3.67Å; T399-D459 WeakPolarHBondContact CB-OD2 3.19Å; T399-D459 HydrophobicContact CG2-CB 3.75Å; T399-D459 PolarHBondContact OG1-OD2 3.4Å; T399-Y460 CarbonylContact C-O 3.53Å; T399-Y460 WeakPolarHBondContact CA-O 3.49Å; T399-Y460 WeakPolarHBondContact CB-O 3.2Å
400	R	72.1	Confident	73.9	Confident	55 Å²	55	66.1 Å²	66.1	21%	0.208	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.2	171.9	67.8	-178.1	177	148.9	0.2	113.9	N402 D459 Y460 N462 C573 G574 P575	R400-N402 PolarHBondContact O-N 2.85Å; R400-D459 WeakPolarHBondContact CG-OD2 3.28Å; R400-D459 IonicContact CZ-OD1 2.65Å; R400-D459 IonicContact NE-OD1 2.8Å; R400-D459 PolarHBondContact NE-OD1 3.21Å; R400-D459 IonicContact NE-OD2 3Å; R400-D459 IonicContact NH2-OD1 2.73Å; R400-D459 PolarHBondContact NH2-OD1 3.35Å; R400-Y460 WeakPolarHBondContact CG-O 3.37Å; R400-Y460 PolarHBondContact N-O 2.93Å; R400-N462 HydrophobicContact CB-CB 4.24Å; R400-C573 PolarHBondContact NH2-O 3.39Å; R400-G574 PolarHBondContact NH1-O 2.74Å; R400-G574 PolarHBondContact NH2-O 3.26Å; R400-P575 PolarHBondContact NH1-O 3.17Å
401	S	61.9	Low	73.6	Confident	45 Å²	45	65.5 Å²	65.5	32%	0.315	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	11.4	169.7	-53.1	0	0	0	0	112.2	T399 L403 D459	T399-S401 PolarHBondContact O-N 3.34Å; T399-S401 PolarHBondContact OG1-N 3.44Å; S401-L403 PolarHBondContact O-N 3.47Å; S401-D459 WeakPolarHBondContact CB-OD2 3.43Å; S401-D459 PolarHBondContact N-OD2 2.91Å; S401-D459 PolarHBondContact OG-OD2 3.32Å
402	N	70.1	Confident	73	Confident	100 Å²	100	61.1 Å²	61.1	54%	0.535	31%	0.307	S	S	.	.			trans	61.5	19	-179	-149.6	15.9	0	0	0	114.5	R398 T399 R400	R398-N402 PolarHBondContact NE-OD1 2.02Å; R398-N402 PolarHBondContact NH2-O 2.9Å; R398-N402 VanDerWaalsContact NH2-O 3.11Å; R398-N402 PolarHBondContact NH2-OD1 2.9Å; T399-N402 VanDerWaalsContact O-CA 3.29Å; T399-N402 WeakPolarHBondContact O-CA 3.46Å; T399-N402 PolarHBondContact O-N 3.02Å; R400-N402 PolarHBondContact O-N 2.85Å
403	L	71.8	Confident	71.7	Confident	34 Å²	34	67.5 Å²	67.5	18%	0.178	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-83	140	178.1	-64.1	177.3	0	0	0	110.3	R398 T399 S401 C405 T451 N453 I456	R398-L403 WeakPolarHBondContact CA-O 3.37Å; T399-L403 HydrophobicContact CG2-CB 4.44Å; T399-L403 PolarHBondContact N-O 3Å; T399-L403 WeakPolarHBondContact OG1-CB 3.33Å; T399-L403 PolarHBondContact OG1-N 3.01Å; S401-L403 PolarHBondContact O-N 3.47Å; L403-C405 PolarHBondContact O-N 2.68Å; L403-T451 HydrophobicContact CB-CG2 4.12Å; L403-T451 HydrophobicContact CD1-CG2 4.2Å; L403-N453 HydrophobicContact CD1-CB 4.14Å; L403-I456 HydrophobicContact CD1-CB 3.69Å; L403-I456 HydrophobicContact CD1-CD1 3.73Å; L403-I456 HydrophobicContact CD1-CG1 4.18Å; L403-I456 HydrophobicContact CD1-CG2 3.92Å
404	P	81.8	Confident	70.4	Confident	86 Å²	86	63.1 Å²	63.1	56%	0.558	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-67.8	134.3	174.2	29	-33.4	0	0	0	109.8
405	C	81.9	Confident	69.1	Low	6 Å²	6	67.5 Å²	67.5	4%	0.041	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-65.9	140.8	173.8	-65.6	0	0	0	0	110.6	S397 L403 N435 C437 C449 F450	S397-C405 VanDerWaalsContact O-CB 3.28Å; S397-C405 WeakPolarHBondContact O-CB 3.3Å; S397-C405 PolarHBondContact O-N 3.36Å; S397-C405 PolarHBondContact O-SG 3.36Å; L403-C405 PolarHBondContact O-N 2.68Å; C405-N435 HydrophobicContact CB-CB 4.01Å; C405-N435 WeakPolarHBondContact CB-O 2.98Å; C405-N435 WeakPolarHBondContact O-CB 3.25Å; C405-N435 PolarHBondContact O-ND2 3.49Å; C405-C437 VanDerWaalsContact SG-SG 3.69Å; C405-C449 VanDerWaalsContact CA-SG 3.54Å; C405-C449 HydrophobicContact CB-CB 3.54Å; C405-C449 WeakPolarHBondContact CB-SG 3.23Å; C405-C449 WeakPolarHBondContact SG-CB 3.37Å; C405-C449 CovalentContact SG-SG 2Å; C405-C449 PolarHBondContact SG-SG 3.39Å; C405-F450 CarbonylContact C-O 3.54Å; C405-F450 VanDerWaalsContact CA-O 3.24Å; C405-F450 WeakPolarHBondContact CA-O 3.47Å
406	A	81.6	Confident	67.6	Low	1 Å²	1	65.3 Å²	65.3	1%	0.008	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-82.7	149.1	171.3	0	0	0	0	0	110.3	W408 N435 F450 N452	A406-W408 PolarHBondContact O-N 3.02Å; A406-N435 WeakPolarHBondContact O-CB 3.4Å; A406-F450 HydrophobicContact CB-CB 4.11Å; A406-F450 PolarHBondContact N-O 3.34Å; A406-N452 VanDerWaalsContact CB-OD1 3.22Å; A406-N452 WeakPolarHBondContact CB-OD1 3.19Å
407	P	81.2	Confident	66	Low	28 Å²	28	66.1 Å²	66.1	18%	0.182	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-59.4	132.5	176.1	-22.9	33.5	0	0	0	112.3	R409 D410 G434 N435	P407-R409 HydrophobicContact CB-CG 3.93Å; P407-R409 PolarHBondContact O-N 2.72Å; P407-D410 WeakPolarHBondContact CD-OD2 3.33Å; P407-D410 VanDerWaalsContact CG-OD2 3.31Å; P407-D410 WeakPolarHBondContact CG-OD2 3.41Å; P407-D410 WeakPolarHBondContact O-CB 2.99Å; P407-D410 PolarHBondContact O-N 3.3Å; P407-G434 VanDerWaalsContact CA-O 3.28Å; P407-G434 WeakPolarHBondContact CA-O 3.37Å; P407-N435 HydrophobicContact CG-CB 4.49Å
408	W	73.5	Confident	63.9	Low	17 Å²	17	70.8 Å²	70.8	6%	0.064	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-59.1	-33.9	-179	-68.2	101.3	0	0	0	113	A406 D410 H411 S412 L432 G434 F436 R438 W448 C449 F450	A406-W408 PolarHBondContact O-N 3.02Å; W408-D410 PolarHBondContact O-N 2.84Å; W408-H411 PolarHBondContact O-N 2.71Å; W408-H411 VanDerWaalsContact O-N 3.16Å; W408-S412 PolarHBondContact O-N 2.02Å; W408-L432 HydrophobicContact CB-CB 4.25Å; W408-L432 HydrophobicContact CD2-CD2 3.74Å; W408-L432 HydrophobicContact CE3-CD2 4Å; W408-L432 HydrophobicContact CG-CB 4.22Å; W408-L432 HydrophobicContact CG-CD2 4.09Å; W408-L432 HydrophobicContact CH2-CD2 4.48Å; W408-L432 HydrophobicContact CZ2-CD2 4.25Å; W408-L432 HydrophobicContact CZ3-CD2 4.36Å; W408-G434 PolarHBondContact N-O 3.47Å; W408-F436 PolarHBondContact NE1-O 2.74Å; W408-R438 HydrophobicContact CZ2-CB 3.92Å; W408-R438 HydrophobicContact CZ2-CG 4.42Å; W408-W448 HydrophobicContact CH2-CD2 4.1Å; W408-W448 AromaticContact CH2-CE3 3.96Å; W408-W448 HydrophobicContact CH2-CE3 3.96Å; W408-W448 HydrophobicContact CH2-CH2 4.08Å; W408-W448 HydrophobicContact CH2-CZ2 4.21Å; W408-W448 AromaticContact CH2-CZ3 3.94Å; W408-W448 HydrophobicContact CH2-CZ3 3.94Å; W408-W448 WeakPolarHBondContact CH2-O 3.49Å; W408-W448 WeakPolarHBondContact CZ2-O 3.42Å; W408-W448 HydrophobicContact CZ3-CE3 4.35Å; W408-W448 AromaticContact CZ3-CH2 3.77Å; W408-W448 HydrophobicContact CZ3-CH2 3.77Å; W408-W448 HydrophobicContact CZ3-CZ2 4.19Å; W408-W448 AromaticContact CZ3-CZ3 3.85Å; W408-W448 HydrophobicContact CZ3-CZ3 3.85Å; W408-C449 HydrophobicContact CZ2-CB 4.02Å; W408-F450 AromaticContact CE3-CD2 3.62Å; W408-F450 HydrophobicContact CE3-CD2 3.62Å; W408-F450 AromaticContact CE3-CE2 3.69Å; W408-F450 HydrophobicContact CE3-CE2 3.69Å; W408-F450 AromaticContact CZ3-CD2 3.62Å; W408-F450 HydrophobicContact CZ3-CD2 3.62Å; W408-F450 AromaticContact CZ3-CE2 3.54Å; W408-F450 HydrophobicContact CZ3-CE2 3.54Å
409	R	69.9	Low	62.3	Low	190 Å²	190	68.7 Å²	68.7	72%	0.717	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-61	-29	176.1	66.3	178.8	-178.7	-161.6	-6.8	113.7	P407 H411 S412	P407-R409 HydrophobicContact CB-CG 3.93Å; P407-R409 PolarHBondContact O-N 2.72Å; R409-H411 PolarHBondContact O-N 2.88Å; R409-S412 PolarHBondContact O-N 3.39Å; R409-S412 PolarHBondContact O-OG 3.41Å
410	D	66.2	Low	60.5	Low	99 Å²	99	78.6 Å²	78.6	53%	0.529	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-73.7	-16.9	-178.3	-62.9	-14	0	0	0	110.8	P407 W408	P407-D410 WeakPolarHBondContact CD-OD2 3.33Å; P407-D410 VanDerWaalsContact CG-OD2 3.31Å; P407-D410 WeakPolarHBondContact CG-OD2 3.41Å; P407-D410 WeakPolarHBondContact O-CB 2.99Å; P407-D410 PolarHBondContact O-N 3.3Å; W408-D410 PolarHBondContact O-N 2.84Å
411	H	61.6	Low	58.9	Low	48 Å²	48	83.7 Å²	83.7	22%	0.222	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-107.3	-2.1	176.3	-62.4	-80.8	0	0	0	113.2	W408 R409 N413 S414 I417 F450	W408-H411 PolarHBondContact O-N 2.71Å; W408-H411 VanDerWaalsContact O-N 3.16Å; R409-H411 PolarHBondContact O-N 2.88Å; H411-N413 VanDerWaalsContact C-N 3.34Å; H411-N413 PolarHBondContact O-N 3.19Å; H411-S414 PolarHBondContact O-N 3.37Å; H411-I417 HydrophobicContact CB-CD1 4.31Å; H411-I417 WeakPolarHBondContact O-CD1 3.18Å; H411-I417 WeakPolarHBondContact O-CG1 3.44Å; H411-F450 HydrophobicContact CB-CD2 3.92Å; H411-F450 HydrophobicContact CB-CE2 3.95Å; H411-F450 HydrophobicContact CB-CG 4.35Å; H411-F450 HydrophobicContact CB-CZ 4.42Å; H411-F450 AromaticContact CD2-CD2 3.89Å; H411-F450 AromaticContact CD2-CG 3.71Å; H411-F450 AromaticContact CG-CD2 3.9Å; H411-F450 AromaticContact CG-CG 3.85Å
412	S	51.1	Low	57.9	Low	44 Å²	44	87.5 Å²	87.5	31%	0.308	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-26.5	-173.4	69.6	0	0	0	0	114.8	W408 R409	W408-S412 PolarHBondContact O-N 2.02Å; R409-S412 PolarHBondContact O-N 3.39Å; R409-S412 PolarHBondContact O-OG 3.41Å
413	N	44.1	Very low	56.3	Low	158 Å²	158	85.6 Å²	85.6	85%	0.845	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	6	179.5	-73.8	-14.9	0	0	0	113.6	H411	H411-N413 VanDerWaalsContact C-N 3.34Å; H411-N413 PolarHBondContact O-N 3.19Å
414	S	43.6	Very low	54.6	Low	38 Å²	38	92.6 Å²	92.6	27%	0.266	47%	0.466	S	S	.	.	S	Bend	trans	-71.6	135.8	175.9	-166	0	0	0	0	109.4	H411 R416 I417	H411-S414 PolarHBondContact O-N 3.37Å; S414-R416 PolarHBondContact O-N 3.01Å; S414-R416 WeakPolarHBondContact OG-CG 3.28Å; S414-I417 PolarHBondContact O-N 3.08Å
415	P	44.6	Very low	52.5	Low	116 Å²	116	99 Å²	99	75%	0.753	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-57.6	-9.1	171.5	22.1	-31.5	0	0	0	113.1	I417	P415-I417 VanDerWaalsContact C-N 3.28Å; P415-I417 PolarHBondContact O-N 3.08Å
416	R	48	Very low	50.5	Low	108 Å²	108	100.2 Å²	100.2	41%	0.408	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-70.2	-13.8	170.3	-57.7	-174.1	-178.6	-169.6	5.9	114.6	S414 Y722 P724	S414-R416 PolarHBondContact O-N 3.01Å; S414-R416 WeakPolarHBondContact OG-CG 3.28Å; R416-Y722 PolarHBondContact NH1-O 3.45Å; R416-P724 HydrophobicContact CG-CG 3.98Å
417	I	45.7	Very low	48.7	Very low	55 Å²	55	106.1 Å²	106.1	28%	0.282	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-112.6	43.9	173.1	-44.7	-168.1	0	0	0	109.7	H411 S414 P415 L419 F450	H411-I417 HydrophobicContact CB-CD1 4.31Å; H411-I417 WeakPolarHBondContact O-CD1 3.18Å; H411-I417 WeakPolarHBondContact O-CG1 3.44Å; S414-I417 PolarHBondContact O-N 3.08Å; P415-I417 VanDerWaalsContact C-N 3.28Å; P415-I417 PolarHBondContact O-N 3.08Å; I417-L419 HydrophobicContact CG2-CD1 3.79Å; I417-L419 PolarHBondContact O-N 2.84Å; I417-F450 HydrophobicContact CD1-CE2 4.43Å
418	H	39.3	Very low	46.8	Very low	137 Å²	137	112.1 Å²	112.1	63%	0.634	55%	0.552	S	S	*	*			trans	-78.4	74.7	158.8	-120.8	-51.1	0	0	0	108.6	R420	H418-R420 PolarHBondContact O-N 3.24Å
419	L	43.2	Very low	45.3	Very low	75 Å²	75	118.4 Å²	118.4	39%	0.393	58%	0.583	S	S	.	*			trans	-65	70.4	161	-105.4	79.7	0	0	0	108.3	I417 L421 W422	I417-L419 HydrophobicContact CG2-CD1 3.79Å; I417-L419 PolarHBondContact O-N 2.84Å; L419-L421 PolarHBondContact O-N 3.3Å; L419-W422 HydrophobicContact CD2-CB 4.2Å; L419-W422 HydrophobicContact CD2-CD2 4.42Å; L419-W422 HydrophobicContact CD2-CE3 3.6Å; L419-W422 HydrophobicContact CD2-CZ3 4.38Å
420	R	37.2	Very low	44.3	Very low	210 Å²	210	109.9 Å²	109.9	79%	0.792	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	9.6	172.1	-80.1	-166	179.6	-162.4	0.4	113.4	H418	H418-R420 PolarHBondContact O-N 3.24Å
421	L	38.2	Very low	43.9	Very low	162 Å²	162	106.1 Å²	106.1	85%	0.848	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-9	-178.1	-73.6	170.3	0	0	0	115	L419	L419-L421 PolarHBondContact O-N 3.3Å
422	W	40.6	Very low	44	Very low	125 Å²	125	106 Å²	106	47%	0.473	54%	0.539	S	S	.	.	S	Bend	trans	-130.2	112.3	168.4	-70.8	-34.5	0	0	0	109.5	L419 P440 K442	L419-W422 HydrophobicContact CD2-CB 4.2Å; L419-W422 HydrophobicContact CD2-CD2 4.42Å; L419-W422 HydrophobicContact CD2-CE3 3.6Å; L419-W422 HydrophobicContact CD2-CZ3 4.38Å; W422-P440 VanDerWaalsContact CH2-O 3.26Å; W422-P440 WeakPolarHBondContact CH2-O 3.36Å; W422-P440 WeakPolarHBondContact CZ3-O 3.31Å; W422-K442 HydrophobicContact CH2-CG 4.34Å
423	G	37.2	Very low	44.4	Very low	61 Å²	61	111.3 Å²	111.3	63%	0.629	56%	0.559	S	S	*	*			trans	-59.7	170.2	169.4	0	0	0	0	0	111.7	R425 G426	G423-R425 PolarHBondContact O-N 2.89Å; G423-G426 PolarHBondContact O-N 3.33Å
424	E	36.5	Very low	45.8	Very low	180 Å²	180	105.9 Å²	105.9	84%	0.841	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.5	-22.7	-176.4	-67.4	174	150.5	0	0	115.4	G426	E424-G426 PolarHBondContact O-N 3.03Å
425	R	36.8	Very low	47.7	Very low	222 Å²	222	106.2 Å²	106.2	84%	0.838	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-24	177.9	-133.6	173.2	-75.1	-174.6	-3.5	115	G423	G423-R425 PolarHBondContact O-N 2.89Å
426	G	40.7	Very low	49.7	Very low	31 Å²	31	103.3 Å²	103.3	32%	0.32	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-26.1	178.1	0	0	0	0	0	114.1	G423 E424 M429	G423-G426 PolarHBondContact O-N 3.33Å; E424-G426 PolarHBondContact O-N 3.03Å; G426-M429 PolarHBondContact O-N 3.46Å
427	M	42.8	Very low	51.4	Low	124 Å²	124	98.1 Å²	98.1	61%	0.611	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-26.8	-177.3	-158.9	171.7	167.8	0	0	112.4	L432	M427-L432 HydrophobicContact CG-CD1 4.27Å
428	L	42.3	Very low	53.4	Low	155 Å²	155	96.1 Å²	96.1	81%	0.812	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-26.8	174.6	-104.5	133.3	0	0	0	113.6
429	M	41.1	Very low	55.3	Low	148 Å²	148	89.7 Å²	89.7	73%	0.729	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-26.9	-174.1	-67.5	-88.6	-84.2	0	0	113.1	G426	G426-M429 PolarHBondContact O-N 3.46Å
430	A	49.7	Very low	56.8	Low	12 Å²	12	87.5 Å²	87.5	10%	0.099	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3	-176	0	0	0	0	0	114.5	L432 R438 P440	A430-L432 VanDerWaalsContact C-N 3.32Å; A430-L432 HydrophobicContact CB-CG 4.2Å; A430-L432 PolarHBondContact O-N 3.49Å; A430-R438 VanDerWaalsContact O-CD 3.25Å; A430-R438 WeakPolarHBondContact O-CD 3.29Å; A430-P440 HydrophobicContact CB-CB 3.98Å
431	G	57.3	Low	58	Low	19 Å²	19	79.1 Å²	79.1	20%	0.196	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	46.2	174.5	0	0	0	0	0	113.9	E433 R438	G431-E433 PolarHBondContact O-N 3.28Å; G431-R438 PolarHBondContact O-NE 2.88Å
432	L	63.6	Low	59.4	Low	47 Å²	47	76.3 Å²	76.3	25%	0.246	40%	0.396	C	S	.	.			trans	-73.2	47.5	-177.6	-63.9	169.8	0	0	0	112.4	W408 M427 A430 R438 P440	W408-L432 HydrophobicContact CB-CB 4.25Å; W408-L432 HydrophobicContact CD2-CD2 3.74Å; W408-L432 HydrophobicContact CE3-CD2 4Å; W408-L432 HydrophobicContact CG-CB 4.22Å; W408-L432 HydrophobicContact CG-CD2 4.09Å; W408-L432 HydrophobicContact CH2-CD2 4.48Å; W408-L432 HydrophobicContact CZ2-CD2 4.25Å; W408-L432 HydrophobicContact CZ3-CD2 4.36Å; M427-L432 HydrophobicContact CG-CD1 4.27Å; A430-L432 VanDerWaalsContact C-N 3.32Å; A430-L432 HydrophobicContact CB-CG 4.2Å; A430-L432 PolarHBondContact O-N 3.49Å; L432-R438 HydrophobicContact CD2-CB 3.8Å; L432-R438 HydrophobicContact CD2-CG 3.99Å; L432-P440 HydrophobicContact CD2-CB 4.28Å; L432-P440 HydrophobicContact CD2-CG 4.12Å
433	E	60.5	Low	60.7	Low	154 Å²	154	70.6 Å²	70.6	72%	0.72	38%	0.375	S	S	*	.			trans	-89.7	144.1	177.7	-66.5	-173.2	167.7	0	0	110.7	G431 N435 F436	G431-E433 PolarHBondContact O-N 3.28Å; E433-N435 PolarHBondContact O-N 3.46Å; E433-F436 WeakPolarHBondContact O-CD2 3.37Å
434	G	73.8	Confident	62.1	Low	45 Å²	45	69.9 Å²	69.9	46%	0.464	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-134.8	-179.6	0	0	0	0	0	112.9	P407 W408	P407-G434 VanDerWaalsContact CA-O 3.28Å; P407-G434 WeakPolarHBondContact CA-O 3.37Å; W408-G434 PolarHBondContact N-O 3.47Å
435	N	83.4	Confident	63.7	Low	45 Å²	45	63 Å²	63	24%	0.241	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	21.7	179.9	66.9	-27.3	0	0	0	112	C405 A406 P407 E433	C405-N435 HydrophobicContact CB-CB 4.01Å; C405-N435 WeakPolarHBondContact CB-O 2.98Å; C405-N435 WeakPolarHBondContact O-CB 3.25Å; C405-N435 PolarHBondContact O-ND2 3.49Å; A406-N435 WeakPolarHBondContact O-CB 3.4Å; P407-N435 HydrophobicContact CG-CB 4.49Å; E433-N435 PolarHBondContact O-N 3.46Å
436	F	85.2	Confident	65.7	Low	54 Å²	54	52.4 Å²	52.4	24%	0.237	28%	0.283	C	S	.	.			trans	-74	151.6	-174.4	-57.3	-57.6	0	0	0	112.8	E395 Q396 W408 E433 R438	E395-F436 VanDerWaalsContact C-CD1 3.47Å; E395-F436 HydrophobicContact CB-CD1 4.17Å; E395-F436 HydrophobicContact CB-CE1 3.83Å; E395-F436 HydrophobicContact CB-CZ 4.31Å; E395-F436 HydrophobicContact CG-CE1 4.33Å; E395-F436 HydrophobicContact CG-CZ 4.32Å; E395-F436 WeakPolarHBondContact O-CD1 3.08Å; E395-F436 VanDerWaalsContact O-CE1 3.32Å; E395-F436 WeakPolarHBondContact O-CE1 3.42Å; Q396-F436 CarbonylContact O-C 3.53Å; Q396-F436 WeakPolarHBondContact O-CA 3.31Å; W408-F436 PolarHBondContact NE1-O 2.74Å; E433-F436 WeakPolarHBondContact O-CD2 3.37Å; F436-R438 PolarHBondContact O-N 3.4Å
437	C	84.7	Confident	67.8	Low	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.			trans	-62.7	125.6	175.9	-64.3	0	0	0	0	110.6	Y392 Q396 C405 P447 C461 M463	Y392-C437 VanDerWaalsContact CD1-O 3.31Å; Y392-C437 WeakPolarHBondContact CD1-O 3.38Å; Y392-C437 HydrophobicContact CE1-CB 4.5Å; Q396-C437 HydrophobicContact CB-CB 4.34Å; Q396-C437 HydrophobicContact CG-CB 4.4Å; Q396-C437 WeakPolarHBondContact O-CB 3.37Å; Q396-C437 PolarHBondContact O-N 3.21Å; Q396-C437 PolarHBondContact O-SG 2.03Å; C405-C437 VanDerWaalsContact SG-SG 3.69Å; C437-P447 HydrophobicContact CB-CB 4.16Å; C437-C461 HydrophobicContact CB-CB 3.51Å; C437-C461 WeakPolarHBondContact CB-SG 3.01Å; C437-C461 WeakPolarHBondContact SG-CB 3.01Å; C437-C461 CovalentContact SG-SG 1.98Å; C437-C461 PolarHBondContact SG-SG 2.83Å; C437-M463 HydrophobicContact CB-CE 4.01Å
438	R	86.6	Confident	69.8	Low	13 Å²	13	45.1 Å²	45.1	5%	0.049	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-135.7	160.7	179.8	-64.8	-63.6	179.9	-102.6	6	109.6	Y392 Q393 G394 W408 A430 G431 L432 F436 P440 P447 W448	Y392-R438 WeakPolarHBondContact O-CD 3.08Å; Q393-R438 PolarHBondContact O-NH2 2.71Å; G394-R438 PolarHBondContact O-NH1 3.33Å; G394-R438 PolarHBondContact O-NH2 3.11Å; W408-R438 HydrophobicContact CZ2-CB 3.92Å; W408-R438 HydrophobicContact CZ2-CG 4.42Å; A430-R438 VanDerWaalsContact O-CD 3.25Å; A430-R438 WeakPolarHBondContact O-CD 3.29Å; G431-R438 PolarHBondContact O-NE 2.88Å; L432-R438 HydrophobicContact CD2-CB 3.8Å; L432-R438 HydrophobicContact CD2-CG 3.99Å; F436-R438 PolarHBondContact O-N 3.4Å; R438-P440 WeakPolarHBondContact O-CD 3.48Å; R438-P447 WeakPolarHBondContact O-CA 3.47Å; R438-W448 PolarHBondContact N-O 3.17Å; R438-W448 PolarHBondContact O-N 3.22Å
439	N	81	Confident	71.9	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.011	20%	0.2	C	C	.	.			trans	-122	64	172.5	-165.3	9.3	0	0	0	111.7	F388 G389 D441 K442 D443 P447	F388-N439 PolarHBondContact O-ND2 2.79Å; G389-N439 WeakPolarHBondContact O-CB 3.48Å; N439-D441 PolarHBondContact O-N 3.24Å; N439-D441 PolarHBondContact OD1-OD1 3.33Å; N439-K442 PolarHBondContact O-N 3.49Å; N439-K442 PolarHBondContact OD1-N 3.13Å; N439-D443 PolarHBondContact ND2-N 3.44Å; N439-D443 VanDerWaalsContact ND2-N 3.17Å; N439-D443 PolarHBondContact ND2-O 3.49Å; N439-D443 WeakPolarHBondContact OD1-CB 3.43Å; N439-D443 PolarHBondContact OD1-N 2.71Å; N439-P447 HydrophobicContact CB-CB 4.35Å; N439-P447 HydrophobicContact CB-CG 4.27Å
440	P	73.6	Confident	73.8	Confident	28 Å²	28	31.4 Å²	31.4	18%	0.182	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.9	-176.2	27.1	-35.2	0	0	0	112	W422 A430 L432 R438 K442 W448	W422-P440 VanDerWaalsContact CH2-O 3.26Å; W422-P440 WeakPolarHBondContact CH2-O 3.36Å; W422-P440 WeakPolarHBondContact CZ3-O 3.31Å; A430-P440 HydrophobicContact CB-CB 3.98Å; L432-P440 HydrophobicContact CD2-CB 4.28Å; L432-P440 HydrophobicContact CD2-CG 4.12Å; R438-P440 WeakPolarHBondContact O-CD 3.48Å; P440-K442 VanDerWaalsContact C-N 3.32Å; P440-K442 PolarHBondContact O-N 3.39Å; P440-W448 HydrophobicContact CG-CZ2 4.25Å
441	D	63.1	Low	75.1	Confident	34 Å²	34	31.1 Å²	31.1	18%	0.182	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	7.7	-176.5	61.1	-33.4	0	0	0	114.4	N439 D443 W448 K718	N439-D441 PolarHBondContact O-N 3.24Å; N439-D441 PolarHBondContact OD1-OD1 3.33Å; D441-D443 PolarHBondContact O-N 3.25Å; D441-W448 PolarHBondContact OD1-NE1 2.86Å; D441-K718 IonicContact OD1-NZ 2.75Å; D441-K718 PolarHBondContact OD1-NZ 3.25Å; D441-K718 WeakPolarHBondContact OD2-CD 3.41Å; D441-K718 WeakPolarHBondContact OD2-CE 3.4Å; D441-K718 IonicContact OD2-NZ 2.74Å; D441-K718 PolarHBondContact OD2-NZ 3.25Å
442	K	66.9	Low	76	Confident	103 Å²	103	36.5 Å²	36.5	45%	0.448	19%	0.19	S	C	.	.			trans	54.4	37.4	179.6	-55.4	-176.3	173.1	-123.9	0	112.7	E390 W422 N439 P440 K444	E390-K442 VanDerWaalsContact CD-CG 3.44Å; E390-K442 HydrophobicContact CG-CB 4.14Å; E390-K442 HydrophobicContact CG-CG 3.84Å; E390-K442 WeakPolarHBondContact OE1-CB 3.48Å; E390-K442 WeakPolarHBondContact OE1-CD 3.47Å; E390-K442 WeakPolarHBondContact OE1-CG 3.48Å; E390-K442 IonicContact OE1-NZ 3.74Å; E390-K442 WeakPolarHBondContact OE2-CE 3.36Å; E390-K442 IonicContact OE2-NZ 3.65Å; E390-K442 PolarHBondContact OE2-NZ 2.9Å; W422-K442 HydrophobicContact CH2-CG 4.34Å; N439-K442 PolarHBondContact O-N 3.49Å; N439-K442 PolarHBondContact OD1-N 3.13Å; P440-K442 VanDerWaalsContact C-N 3.32Å; P440-K442 PolarHBondContact O-N 3.39Å; K442-K444 PolarHBondContact O-N 3.14Å
443	D	67.7	Low	76.3	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.032	19%	0.194	C	C	.	.			trans	-66.4	122.9	179	-172.8	-17.6	0	0	0	110.3	N439 D441 H445 G446 Y460 K718	N439-D443 PolarHBondContact ND2-N 3.44Å; N439-D443 VanDerWaalsContact ND2-N 3.17Å; N439-D443 PolarHBondContact ND2-O 3.49Å; N439-D443 WeakPolarHBondContact OD1-CB 3.43Å; N439-D443 PolarHBondContact OD1-N 2.71Å; D441-D443 PolarHBondContact O-N 3.25Å; D443-H445 PolarHBondContact O-N 3.31Å; D443-H445 IonicContact OD1-CE1 3.43Å; D443-H445 IonicContact OD1-CG 3.38Å; D443-H445 PolarHBondContact OD1-N 2.91Å; D443-H445 IonicContact OD1-ND1 3.23Å; D443-H445 PolarHBondContact OD1-ND1 2.84Å; D443-G446 PolarHBondContact O-N 3.37Å; D443-Y460 WeakPolarHBondContact OD2-CE1 3.36Å; D443-Y460 PolarHBondContact OD2-OH 3.32Å; D443-K718 VanDerWaalsContact OD2-CD 3.23Å; D443-K718 WeakPolarHBondContact OD2-CD 3.2Å; D443-K718 IonicContact OD2-NZ 3.16Å; D443-K718 PolarHBondContact OD2-NZ 3.08Å
444	K	67.2	Low	76.5	Confident	45 Å²	45	35.4 Å²	35.4	20%	0.196	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.7	-178.3	65.8	179.8	175.6	-178	0	115.2	F388 K442 G446 F711	F388-K444 VanDerWaalsContact CD1-CA 3.43Å; F388-K444 HydrophobicContact CD1-CB 3.84Å; F388-K444 WeakPolarHBondContact CD1-O 3.48Å; F388-K444 HydrophobicContact CD2-CB 4.48Å; F388-K444 HydrophobicContact CE1-CB 3.61Å; F388-K444 HydrophobicContact CE2-CB 4.29Å; F388-K444 HydrophobicContact CG-CB 4.28Å; F388-K444 HydrophobicContact CZ-CB 3.86Å; K442-K444 PolarHBondContact O-N 3.14Å; K444-G446 VanDerWaalsContact C-N 3.31Å; K444-F711 WeakPolarHBondContact CE-O 3.31Å; K444-F711 PolarHBondContact NZ-O 2.74Å
445	H	70.9	Confident	75.7	Confident	35 Å²	35	34.7 Å²	34.7	16%	0.162	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.7	178.2	-53.8	98.5	0	0	0	113.5	D443 Y460 P575 F711 Y712	D443-H445 PolarHBondContact O-N 3.31Å; D443-H445 IonicContact OD1-CE1 3.43Å; D443-H445 IonicContact OD1-CG 3.38Å; D443-H445 PolarHBondContact OD1-N 2.91Å; D443-H445 IonicContact OD1-ND1 3.23Å; D443-H445 PolarHBondContact OD1-ND1 2.84Å; H445-Y460 HydrophobicContact CB-CD1 4.44Å; H445-Y460 HydrophobicContact CB-CE1 3.72Å; H445-Y460 HydrophobicContact CB-CE2 4.48Å; H445-P575 HydrophobicContact CB-CB 3.95Å; H445-P575 HydrophobicContact CB-CG 3.94Å; H445-P575 VanDerWaalsContact CD2-CG 3.43Å; H445-P575 WeakPolarHBondContact CD2-CG 3.22Å; H445-P575 VanDerWaalsContact CG-CG 3.49Å; H445-F711 AromaticContact NE2-CD1 3.97Å; H445-F711 AromaticContact NE2-CE1 3.6Å; H445-Y712 AromaticContact NE2-CD1 3.46Å; H445-Y712 WeakPolarHBondContact NE2-CD1 3.44Å; H445-Y712 AromaticContact NE2-CE1 3.77Å
446	G	77.4	Confident	74.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.			trans	104	-175.4	172.1	0	0	0	0	0	114.7	F388 D443 K444	F388-G446 WeakPolarHBondContact O-CA 3.38Å; D443-G446 PolarHBondContact O-N 3.37Å; K444-G446 VanDerWaalsContact C-N 3.31Å
447	P	85.4	Confident	74	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.013	18%	0.179	C	C	.	.			trans	-65.1	148.6	-177.1	-21.5	34.3	0	0	0	113.9	F385 Y392 C437 R438 N439 C461 M463	F385-P447 HydrophobicContact CB-CG 4.13Å; F385-P447 HydrophobicContact CD1-CG 4Å; F385-P447 HydrophobicContact CG-CG 4.02Å; Y392-P447 HydrophobicContact CD1-CB 4.36Å; Y392-P447 HydrophobicContact CD1-CG 4.14Å; Y392-P447 HydrophobicContact CG-CG 4.18Å; C437-P447 HydrophobicContact CB-CB 4.16Å; R438-P447 WeakPolarHBondContact O-CA 3.47Å; N439-P447 HydrophobicContact CB-CB 4.35Å; N439-P447 HydrophobicContact CB-CG 4.27Å; P447-C461 PolarHBondContact O-N 2.85Å; P447-M463 HydrophobicContact CB-CE 3.43Å; P447-M463 VanDerWaalsContact CB-CE 3.43Å; P447-M463 HydrophobicContact CG-CE 3.46Å; P447-M463 VanDerWaalsContact CG-CE 3.46Å
448	W	85.1	Confident	73.7	Confident	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	172.2	-175.9	63.3	-78.3	0	0	0	110.2	W408 R438 P440 D441 F450 W458 D459 Y460 K718 Y722	W408-W448 HydrophobicContact CH2-CD2 4.1Å; W408-W448 AromaticContact CH2-CE3 3.96Å; W408-W448 HydrophobicContact CH2-CE3 3.96Å; W408-W448 HydrophobicContact CH2-CH2 4.08Å; W408-W448 HydrophobicContact CH2-CZ2 4.21Å; W408-W448 AromaticContact CH2-CZ3 3.94Å; W408-W448 HydrophobicContact CH2-CZ3 3.94Å; W408-W448 WeakPolarHBondContact CH2-O 3.49Å; W408-W448 WeakPolarHBondContact CZ2-O 3.42Å; W408-W448 HydrophobicContact CZ3-CE3 4.35Å; W408-W448 AromaticContact CZ3-CH2 3.77Å; W408-W448 HydrophobicContact CZ3-CH2 3.77Å; W408-W448 HydrophobicContact CZ3-CZ2 4.19Å; W408-W448 AromaticContact CZ3-CZ3 3.85Å; W408-W448 HydrophobicContact CZ3-CZ3 3.85Å; R438-W448 PolarHBondContact N-O 3.17Å; R438-W448 PolarHBondContact O-N 3.22Å; P440-W448 HydrophobicContact CG-CZ2 4.25Å; D441-W448 PolarHBondContact OD1-NE1 2.86Å; W448-F450 HydrophobicContact CH2-CE1 4.34Å; W448-F450 AromaticContact CH2-CE2 3.92Å; W448-F450 HydrophobicContact CH2-CE2 3.92Å; W448-F450 AromaticContact CH2-CZ 3.74Å; W448-F450 HydrophobicContact CH2-CZ 3.74Å; W448-F450 HydrophobicContact CZ3-CD1 4.27Å; W448-F450 HydrophobicContact CZ3-CD2 4.18Å; W448-F450 AromaticContact CZ3-CE1 3.94Å; W448-F450 HydrophobicContact CZ3-CE1 3.94Å; W448-F450 AromaticContact CZ3-CE2 3.86Å; W448-F450 HydrophobicContact CZ3-CE2 3.86Å; W448-F450 HydrophobicContact CZ3-CG 4.38Å; W448-F450 AromaticContact CZ3-CZ 3.73Å; W448-F450 HydrophobicContact CZ3-CZ 3.73Å; W448-W458 HydrophobicContact CE3-CB 4.06Å; W448-W458 HydrophobicContact CE3-CD2 4.45Å; W448-W458 HydrophobicContact CE3-CE3 4.11Å; W448-W458 HydrophobicContact CE3-CG 4.48Å; W448-W458 HydrophobicContact CZ3-CB 4.03Å; W448-W458 HydrophobicContact CZ3-CG 4.41Å; W448-D459 WeakPolarHBondContact CA-O 3.4Å; W448-D459 WeakPolarHBondContact CB-O 3.46Å; W448-Y460 HydrophobicContact CB-CD1 3.87Å; W448-Y460 HydrophobicContact CB-CE1 4.33Å; W448-Y460 HydrophobicContact CB-CG 4.47Å; W448-K718 VanDerWaalsContact CE2-NZ 3.29Å; W448-Y722 HydrophobicContact CH2-CD2 4.46Å; W448-Y722 HydrophobicContact CH2-CE1 4.05Å; W448-Y722 AromaticContact CH2-CE2 3.86Å; W448-Y722 HydrophobicContact CH2-CE2 3.86Å; W448-Y722 AromaticContact CH2-CZ 3.63Å; W448-Y722 HydrophobicContact CZ2-CE2 4.05Å; W448-Y722 AromaticContact CZ2-CZ 3.95Å
449	C	85.6	Confident	73.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	163.2	173.9	67.8	0	0	0	0	111.8	T399 C405 W408 W458 D459	T399-C449 WeakPolarHBondContact CG2-SG 3.15Å; C405-C449 VanDerWaalsContact CA-SG 3.54Å; C405-C449 HydrophobicContact CB-CB 3.54Å; C405-C449 WeakPolarHBondContact CB-SG 3.23Å; C405-C449 WeakPolarHBondContact SG-CB 3.37Å; C405-C449 CovalentContact SG-SG 2Å; C405-C449 PolarHBondContact SG-SG 3.39Å; W408-C449 HydrophobicContact CZ2-CB 4.02Å; C449-W458 VanDerWaalsContact O-CA 3.26Å; C449-W458 WeakPolarHBondContact O-CA 3.1Å; C449-W458 WeakPolarHBondContact O-CB 3.3Å; C449-D459 PolarHBondContact N-O 3.19Å; C449-D459 PolarHBondContact O-N 2.8Å
450	F	81.6	Confident	73.1	Confident	14 Å²	14	32.8 Å²	32.8	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	159.8	168.8	-69.5	-72.7	0	0	0	111	C405 A406 W408 H411 I417 W448 S457 W458 Y722	C405-F450 CarbonylContact C-O 3.54Å; C405-F450 VanDerWaalsContact CA-O 3.24Å; C405-F450 WeakPolarHBondContact CA-O 3.47Å; A406-F450 HydrophobicContact CB-CB 4.11Å; A406-F450 PolarHBondContact N-O 3.34Å; W408-F450 AromaticContact CE3-CD2 3.62Å; W408-F450 HydrophobicContact CE3-CD2 3.62Å; W408-F450 AromaticContact CE3-CE2 3.69Å; W408-F450 HydrophobicContact CE3-CE2 3.69Å; W408-F450 AromaticContact CZ3-CD2 3.62Å; W408-F450 HydrophobicContact CZ3-CD2 3.62Å; W408-F450 AromaticContact CZ3-CE2 3.54Å; W408-F450 HydrophobicContact CZ3-CE2 3.54Å; H411-F450 HydrophobicContact CB-CD2 3.92Å; H411-F450 HydrophobicContact CB-CE2 3.95Å; H411-F450 HydrophobicContact CB-CG 4.35Å; H411-F450 HydrophobicContact CB-CZ 4.42Å; H411-F450 AromaticContact CD2-CD2 3.89Å; H411-F450 AromaticContact CD2-CG 3.71Å; H411-F450 AromaticContact CG-CD2 3.9Å; H411-F450 AromaticContact CG-CG 3.85Å; I417-F450 HydrophobicContact CD1-CE2 4.43Å; W448-F450 HydrophobicContact CH2-CE1 4.34Å; W448-F450 AromaticContact CH2-CE2 3.92Å; W448-F450 HydrophobicContact CH2-CE2 3.92Å; W448-F450 AromaticContact CH2-CZ 3.74Å; W448-F450 HydrophobicContact CH2-CZ 3.74Å; W448-F450 HydrophobicContact CZ3-CD1 4.27Å; W448-F450 HydrophobicContact CZ3-CD2 4.18Å; W448-F450 AromaticContact CZ3-CE1 3.94Å; W448-F450 HydrophobicContact CZ3-CE1 3.94Å; W448-F450 AromaticContact CZ3-CE2 3.86Å; W448-F450 HydrophobicContact CZ3-CE2 3.86Å; W448-F450 HydrophobicContact CZ3-CG 4.38Å; W448-F450 AromaticContact CZ3-CZ 3.73Å; W448-F450 HydrophobicContact CZ3-CZ 3.73Å; F450-S457 WeakPolarHBondContact CA-O 3.04Å; F450-S457 WeakPolarHBondContact CD1-O 3.43Å; F450-W458 HydrophobicContact CD1-CB 3.84Å; F450-W458 HydrophobicContact CE1-CB 4.27Å; F450-Y722 AromaticContact CE1-CD1 3.96Å; F450-Y722 HydrophobicContact CE1-CD1 3.96Å; F450-Y722 HydrophobicContact CE1-CE1 4.4Å; F450-Y722 AromaticContact CZ-CD1 3.84Å; F450-Y722 HydrophobicContact CZ-CD1 3.84Å; F450-Y722 AromaticContact CZ-CE1 3.82Å; F450-Y722 HydrophobicContact CZ-CE1 3.82Å
451	T	76.9	Confident	73.5	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.2	170.6	102.1	0	0	0	0	110.9	T399 L403 N453 I456 S457	T399-T451 HydrophobicContact CG2-CG2 3.67Å; L403-T451 HydrophobicContact CB-CG2 4.12Å; L403-T451 HydrophobicContact CD1-CG2 4.2Å; T451-N453 PolarHBondContact O-N 3.28Å; T451-N453 WeakPolarHBondContact OG1-CB 3.19Å; T451-N453 PolarHBondContact OG1-N 2.81Å; T451-N453 VanDerWaalsContact OG1-N 3.08Å; T451-I456 WeakPolarHBondContact CB-O 3.42Å; T451-I456 HydrophobicContact CG2-CG2 4.37Å; T451-I456 PolarHBondContact OG1-O 3.22Å; T451-S457 PolarHBondContact N-O 2.82Å
452	N	76.1	Confident	73.9	Confident	131 Å²	131	35.1 Å²	35.1	70%	0.701	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	4.3	176.1	-75.5	-13.5	0	0	0	113.3	A406	A406-N452 VanDerWaalsContact CB-OD1 3.22Å; A406-N452 WeakPolarHBondContact CB-OD1 3.19Å
453	N	70.1	Confident	74.2	Confident	61 Å²	61	31.3 Å²	31.3	33%	0.326	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.3	178.4	-168.3	-31.2	0	0	0	110.3	L403 T451 A455 I456	L403-N453 HydrophobicContact CD1-CB 4.14Å; T451-N453 PolarHBondContact O-N 3.28Å; T451-N453 WeakPolarHBondContact OG1-CB 3.19Å; T451-N453 PolarHBondContact OG1-N 2.81Å; T451-N453 VanDerWaalsContact OG1-N 3.08Å; N453-A455 PolarHBondContact O-N 3.48Å; N453-A455 WeakPolarHBondContact OD1-CB 3.19Å; N453-A455 PolarHBondContact OD1-N 3.28Å; N453-I456 CarbonylContact O-C 3.13Å; N453-I456 PolarHBondContact O-N 3.38Å; N453-I456 VanDerWaalsContact O-N 3.1Å; N453-I456 VanDerWaalsContact O-O 3.1Å
454	S	63.9	Low	74.2	Confident	118 Å²	118	39.1 Å²	39.1	83%	0.825	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.6	178.6	54.5	0	0	0	0	113.4
455	A	57.4	Low	74	Confident	30 Å²	30	39.4 Å²	39.4	25%	0.248	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-18	177	0	0	0	0	0	113.6	N453 V538 Q570	N453-A455 PolarHBondContact O-N 3.48Å; N453-A455 WeakPolarHBondContact OD1-CB 3.19Å; N453-A455 PolarHBondContact OD1-N 3.28Å; A455-V538 HydrophobicContact CB-CG1 4.25Å; A455-Q570 VanDerWaalsContact C-NE2 3.34Å; A455-Q570 PolarHBondContact O-NE2 3.34Å
456	I	65.3	Low	73.7	Confident	19 Å²	19	39.5 Å²	39.5	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	83.3	178.4	-60.7	179.4	0	0	0	107.6	L403 T451 N453 W458 D459 V538	L403-I456 HydrophobicContact CD1-CB 3.69Å; L403-I456 HydrophobicContact CD1-CD1 3.73Å; L403-I456 HydrophobicContact CD1-CG1 4.18Å; L403-I456 HydrophobicContact CD1-CG2 3.92Å; T451-I456 WeakPolarHBondContact CB-O 3.42Å; T451-I456 HydrophobicContact CG2-CG2 4.37Å; T451-I456 PolarHBondContact OG1-O 3.22Å; N453-I456 CarbonylContact O-C 3.13Å; N453-I456 PolarHBondContact O-N 3.38Å; N453-I456 VanDerWaalsContact O-N 3.1Å; N453-I456 VanDerWaalsContact O-O 3.1Å; I456-W458 WeakPolarHBondContact CG2-O 3.45Å; I456-W458 PolarHBondContact O-N 2.79Å; I456-D459 HydrophobicContact CG2-CB 3.67Å; I456-V538 HydrophobicContact CD1-CG2 3.75Å; I456-V538 HydrophobicContact CG1-CG2 4.22Å
457	S	68.3	Low	72.7	Confident	27 Å²	27	42.3 Å²	42.3	19%	0.189	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-27.5	-175.9	55.3	0	0	0	0	113.1	F450 T451 N723	F450-S457 WeakPolarHBondContact CA-O 3.04Å; F450-S457 WeakPolarHBondContact CD1-O 3.43Å; T451-S457 PolarHBondContact N-O 2.82Å; S457-N723 PolarHBondContact OG-OD1 2.81Å
458	W	78.3	Confident	70.9	Confident	12 Å²	12	49.7 Å²	49.7	5%	0.045	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	155.3	173	63.8	-87.9	0	0	0	109.5	W448 C449 F450 I456 Y460 W715 K718 V719 N723	W448-W458 HydrophobicContact CE3-CB 4.06Å; W448-W458 HydrophobicContact CE3-CD2 4.45Å; W448-W458 HydrophobicContact CE3-CE3 4.11Å; W448-W458 HydrophobicContact CE3-CG 4.48Å; W448-W458 HydrophobicContact CZ3-CB 4.03Å; W448-W458 HydrophobicContact CZ3-CG 4.41Å; C449-W458 VanDerWaalsContact O-CA 3.26Å; C449-W458 WeakPolarHBondContact O-CA 3.1Å; C449-W458 WeakPolarHBondContact O-CB 3.3Å; F450-W458 HydrophobicContact CD1-CB 3.84Å; F450-W458 HydrophobicContact CE1-CB 4.27Å; I456-W458 WeakPolarHBondContact CG2-O 3.45Å; I456-W458 PolarHBondContact O-N 2.79Å; W458-Y460 HydrophobicContact CH2-CE2 4.49Å; W458-Y460 HydrophobicContact CZ3-CD2 4.41Å; W458-Y460 HydrophobicContact CZ3-CE2 4.04Å; W458-W715 AromaticContact CH2-CD1 3.74Å; W458-W715 AromaticContact CH2-NE1 3.57Å; W458-K718 HydrophobicContact CH2-CD 3.86Å; W458-K718 HydrophobicContact CH2-CG 3.99Å; W458-K718 HydrophobicContact CZ2-CD 4.42Å; W458-K718 HydrophobicContact CZ2-CG 4.05Å; W458-K718 HydrophobicContact CZ3-CD 4.21Å; W458-V719 HydrophobicContact CH2-CG2 4.05Å; W458-V719 HydrophobicContact CZ2-CB 4.33Å; W458-V719 HydrophobicContact CZ2-CG2 3.58Å; W458-N723 PolarHBondContact NE1-ND2 3.4Å
459	D	75.2	Confident	68.7	Low	8 Å²	8	54.6 Å²	54.6	4%	0.043	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	159.9	176.3	-172.9	25.7	0	0	0	111	T399 R400 S401 W448 C449 I456	T399-D459 WeakPolarHBondContact CB-OD2 3.19Å; T399-D459 HydrophobicContact CG2-CB 3.75Å; T399-D459 PolarHBondContact OG1-OD2 3.4Å; R400-D459 WeakPolarHBondContact CG-OD2 3.28Å; R400-D459 IonicContact CZ-OD1 2.65Å; R400-D459 IonicContact NE-OD1 2.8Å; R400-D459 PolarHBondContact NE-OD1 3.21Å; R400-D459 IonicContact NE-OD2 3Å; R400-D459 IonicContact NH2-OD1 2.73Å; R400-D459 PolarHBondContact NH2-OD1 3.35Å; S401-D459 WeakPolarHBondContact CB-OD2 3.43Å; S401-D459 PolarHBondContact N-OD2 2.91Å; S401-D459 PolarHBondContact OG-OD2 3.32Å; W448-D459 WeakPolarHBondContact CA-O 3.4Å; W448-D459 WeakPolarHBondContact CB-O 3.46Å; C449-D459 PolarHBondContact N-O 3.19Å; C449-D459 PolarHBondContact O-N 2.8Å; I456-D459 HydrophobicContact CG2-CB 3.67Å
460	Y	80.2	Confident	66.2	Low	7 Å²	7	60.5 Å²	60.5	3%	0.027	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	156	177	-71	-76.1	0	0	0	111.5	T399 R400 D443 H445 W448 W458 P575 W715	T399-Y460 CarbonylContact C-O 3.53Å; T399-Y460 WeakPolarHBondContact CA-O 3.49Å; T399-Y460 WeakPolarHBondContact CB-O 3.2Å; R400-Y460 WeakPolarHBondContact CG-O 3.37Å; R400-Y460 PolarHBondContact N-O 2.93Å; D443-Y460 WeakPolarHBondContact OD2-CE1 3.36Å; D443-Y460 PolarHBondContact OD2-OH 3.32Å; H445-Y460 HydrophobicContact CB-CD1 4.44Å; H445-Y460 HydrophobicContact CB-CE1 3.72Å; H445-Y460 HydrophobicContact CB-CE2 4.48Å; W448-Y460 HydrophobicContact CB-CD1 3.87Å; W448-Y460 HydrophobicContact CB-CE1 4.33Å; W448-Y460 HydrophobicContact CB-CG 4.47Å; W458-Y460 HydrophobicContact CH2-CE2 4.49Å; W458-Y460 HydrophobicContact CZ3-CD2 4.41Å; W458-Y460 HydrophobicContact CZ3-CE2 4.04Å; Y460-P575 HydrophobicContact CD2-CB 4.39Å; Y460-P575 HydrophobicContact CE2-CB 4.07Å; Y460-P575 HydrophobicContact CE2-CG 3.74Å; Y460-W715 AromaticContact CE2-CD1 3.49Å; Y460-W715 VanDerWaalsContact CE2-CD1 3.49Å; Y460-W715 AromaticContact CE2-NE1 3.66Å; Y460-W715 AromaticContact CZ-CD1 3.7Å
461	C	81.1	Confident	63.9	Low	14 Å²	14	64.9 Å²	64.9	10%	0.095	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-92.4	148.1	179.6	-61.3	0	0	0	0	112.7	Q396 C437 P447 M463	Q396-C461 HydrophobicContact CG-CB 4.19Å; C437-C461 HydrophobicContact CB-CB 3.51Å; C437-C461 WeakPolarHBondContact CB-SG 3.01Å; C437-C461 WeakPolarHBondContact SG-CB 3.01Å; C437-C461 CovalentContact SG-SG 1.98Å; C437-C461 PolarHBondContact SG-SG 2.83Å; P447-C461 PolarHBondContact O-N 2.85Å; C461-M463 VanDerWaalsContact C-N 3.26Å; C461-M463 HydrophobicContact CB-CE 4.02Å; C461-M463 HydrophobicContact CB-CG 4.47Å; C461-M463 PolarHBondContact O-N 2.87Å
462	N	71.6	Confident	61.8	Low	98 Å²	98	70.5 Å²	70.5	52%	0.524	41%	0.41	S	S	.	.			trans	-81.3	66.1	-175.1	-163	25	0	0	0	112.4	R400	R400-N462 HydrophobicContact CB-CB 4.24Å
463	M	73.6	Confident	59.6	Low	22 Å²	22	70.3 Å²	70.3	11%	0.108	41%	0.413	C	S	.	.			trans	-121.3	151.7	-177	-61.4	-174.5	-61.4	0	0	111.3	D383 F385 Y392 Q396 C437 P447 C461	D383-M463 WeakPolarHBondContact O-CB 3.49Å; F385-M463 HydrophobicContact CD1-CB 4.17Å; F385-M463 HydrophobicContact CD1-CE 4.3Å; F385-M463 HydrophobicContact CE1-CB 4.44Å; Y392-M463 HydrophobicContact CD1-CE 3.95Å; Y392-M463 HydrophobicContact CD1-SD 4.4Å; Y392-M463 HydrophobicContact CE1-CE 3.64Å; Y392-M463 HydrophobicContact CE1-SD 3.57Å; Y392-M463 VanDerWaalsContact CE1-SD 3.57Å; Y392-M463 HydrophobicContact CE2-CE 4.3Å; Y392-M463 HydrophobicContact CE2-SD 3.78Å; Y392-M463 HydrophobicContact CG-CE 4.42Å; Y392-M463 PolarHBondContact OH-SD 3.17Å; Q396-M463 HydrophobicContact CB-CG 4.1Å; Q396-M463 HydrophobicContact CB-SD 3.4Å; Q396-M463 WeakPolarHBondContact CB-SD 3.4Å; Q396-M463 HydrophobicContact CG-CG 3.73Å; Q396-M463 HydrophobicContact CG-SD 3.66Å; C437-M463 HydrophobicContact CB-CE 4.01Å; P447-M463 HydrophobicContact CB-CE 3.43Å; P447-M463 VanDerWaalsContact CB-CE 3.43Å; P447-M463 HydrophobicContact CG-CE 3.46Å; P447-M463 VanDerWaalsContact CG-CE 3.46Å; C461-M463 VanDerWaalsContact C-N 3.26Å; C461-M463 HydrophobicContact CB-CE 4.02Å; C461-M463 HydrophobicContact CB-CG 4.47Å; C461-M463 PolarHBondContact O-N 2.87Å
464	K	66.5	Low	57.9	Low	170 Å²	170	73.5 Å²	73.5	74%	0.739	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	170.3	177.4	-65.9	-179.8	-178.2	175.1	0	109.9	D383 C384 F385	D383-K464 PolarHBondContact O-N 3.33Å; C384-K464 CarbonylContact C-O 3.57Å; C384-K464 WeakPolarHBondContact CA-O 3.41Å; C384-K464 HydrophobicContact CB-CB 4.23Å; C384-K464 WeakPolarHBondContact CB-O 3.39Å; F385-K464 WeakPolarHBondContact CD1-O 3.37Å; F385-K464 PolarHBondContact N-O 3.16Å; F385-K464 VanDerWaalsContact N-O 3.16Å
465	N	63.8	Low	56.2	Low	51 Å²	51	72.3 Å²	72.3	27%	0.273	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.4	166.9	-172.7	-34.1	0	0	0	107.7	F385 G387 S467	F385-N465 HydrophobicContact CE2-CB 4.41Å; F385-N465 HydrophobicContact CZ-CB 4.41Å; F385-N465 PolarHBondContact O-OD1 3.12Å; F385-N465 VanDerWaalsContact O-OD1 3.08Å; G387-N465 PolarHBondContact O-ND2 3.23Å; N465-S467 PolarHBondContact O-N 2.74Å; N465-S467 PolarHBondContact OD1-N 3.1Å
466	C	64	Low	55	Low	38 Å²	38	77.5 Å²	77.5	26%	0.257	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.4	-174.3	-38.5	0	0	0	0	112.4	C384 F385 L386 N468	C384-C466 HydrophobicContact CB-CB 4.1Å; C384-C466 WeakPolarHBondContact CB-SG 3.33Å; C384-C466 PolarHBondContact O-SG 2.89Å; C384-C466 VanDerWaalsContact O-SG 3.33Å; C384-C466 WeakPolarHBondContact SG-CA 3.21Å; C384-C466 WeakPolarHBondContact SG-CB 3.41Å; C384-C466 PolarHBondContact SG-N 3.44Å; C384-C466 CovalentContact SG-SG 2Å; C384-C466 PolarHBondContact SG-SG 2.97Å; F385-C466 VanDerWaalsContact C-SG 3.59Å; F385-C466 PolarHBondContact O-N 3.14Å; L386-C466 HydrophobicContact CD2-CB 3.68Å; L386-C466 HydrophobicContact CG-CB 4.36Å; C466-N468 PolarHBondContact O-N 3.03Å
467	S	56.4	Low	53.4	Low	59 Å²	59	81.1 Å²	81.1	41%	0.413	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	10.4	-171.1	-60.3	0	0	0	0	115.9	N465 S469	N465-S467 PolarHBondContact O-N 2.74Å; N465-S467 PolarHBondContact OD1-N 3.1Å; S467-S469 PolarHBondContact O-N 3.27Å
468	N	48.2	Very low	51.6	Low	156 Å²	156	89.2 Å²	89.2	83%	0.834	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	22.9	175	-78.6	-6.2	0	0	0	114.5	C466	C466-N468 PolarHBondContact O-N 3.03Å
469	S	39.3	Very low	49.5	Very low	104 Å²	104	94.2 Å²	94.2	73%	0.727	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	12.4	177.2	56.9	0	0	0	0	115.5	S467	S467-S469 PolarHBondContact O-N 3.27Å
470	I	33.5	Very low	47.7	Very low	124 Å²	124	99.7 Å²	99.7	64%	0.636	59%	0.591	S	S	*	*	S	Bend	trans	-124.3	128.2	174.6	-49.6	179.6	0	0	0	109.5
471	P	32.3	Very low	46.4	Very low	107 Å²	107	104.2 Å²	104.2	70%	0.695	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-57.8	150.7	170.6	-15.8	28.3	0	0	0	110.3	V473	P471-V473 PolarHBondContact O-N 2.78Å
472	P	33.5	Very low	45.3	Very low	125 Å²	125	107.4 Å²	107.4	81%	0.812	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-60.2	116.1	-176.8	25.1	-32.6	0	0	0	110.3	T474	P472-T474 PolarHBondContact O-N 3.48Å
473	V	29.6	Very low	45	Very low	127 Å²	127	111.5 Å²	111.5	77%	0.77	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-66	118.3	161.9	177	0	0	0	0	106.4	P471 A475	P471-V473 PolarHBondContact O-N 2.78Å; V473-A475 PolarHBondContact O-N 2.88Å
474	T	33.8	Very low	44.6	Very low	127 Å²	127	110.6 Å²	110.6	78%	0.779	64%	0.644	S	S	*	*			trans	-52.8	100.4	174.4	36.2	0	0	0	0	110.7	P472 T476	P472-T474 PolarHBondContact O-N 3.48Å; T474-T476 PolarHBondContact O-N 3.24Å
475	A	28.3	Very low	44.7	Very low	93 Å²	93	103.9 Å²	103.9	77%	0.769	62%	0.615	S	S	*	*			trans	-86.5	98.2	157.8	0	0	0	0	0	107.2	V473 S477	V473-A475 PolarHBondContact O-N 2.88Å; A475-S477 PolarHBondContact O-N 3.17Å
476	T	32.9	Very low	44.4	Very low	140 Å²	140	105.4 Å²	105.4	86%	0.859	63%	0.626	S	S	*	*			trans	-66.5	95.2	168.5	42.4	0	0	0	0	109.7	T474	T474-T476 PolarHBondContact O-N 3.24Å
477	S	30.6	Very low	43.6	Very low	95 Å²	95	109 Å²	109	66%	0.664	64%	0.639	S	S	*	*			trans	-166.8	102.8	147.7	60	0	0	0	0	108.1	A475 P479	A475-S477 PolarHBondContact O-N 3.17Å; S477-P479 WeakPolarHBondContact O-CD 3.37Å
478	E	30.3	Very low	42.7	Very low	197 Å²	197	114.4 Å²	114.4	92%	0.921	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-61.9	117.6	169.3	-72.9	-165.1	157.9	0	0	109.6
479	P	35.7	Very low	42.1	Very low	116 Å²	116	118.9 Å²	118.9	75%	0.753	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-81	134.6	163.1	10	8.9	0	0	0	107.9	S477	S477-P479 WeakPolarHBondContact O-CD 3.37Å
480	T	36.6	Very low	41.5	Very low	124 Å²	124	119.9 Å²	119.9	76%	0.761	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-51	141.8	174.1	45.7	0	0	0	0	111.4	V482	T480-V482 PolarHBondContact O-N 3.27Å
481	P	52.8	Low	41.1	Very low	101 Å²	101	126.1 Å²	126.1	66%	0.656	68%	0.678	S	S	*	*			trans	-61.8	114.2	-177.4	-12.6	21.2	0	0	0	110.5	R483	P481-R483 PolarHBondContact O-N 2.9Å
482	V	58.7	Low	41.1	Very low	81 Å²	81	128.7 Å²	128.7	49%	0.491	68%	0.684	S	S	.	*			trans	-65.7	118.2	173.6	-178.9	0	0	0	0	107.9	T480 V602 C605	T480-V482 PolarHBondContact O-N 3.27Å; V482-V602 HydrophobicContact CG1-CB 4.49Å; V482-V602 HydrophobicContact CG1-CG1 3.73Å; V482-C605 WeakPolarHBondContact O-CA 3.27Å; V482-C605 VanDerWaalsContact O-CB 3.24Å; V482-C605 WeakPolarHBondContact O-CB 3.4Å
483	R	65	Low	40.8	Very low	184 Å²	184	130 Å²	130	69%	0.694	69%	0.689	S	S	*	*			trans	-70.1	141.4	179.3	-66.2	-170.8	177.1	-165.7	-0.4	110.8	P481 F485	P481-R483 PolarHBondContact O-N 2.9Å; R483-F485 PolarHBondContact O-N 3.33Å
484	C	63.9	Low	40.6	Very low	4 Å²	4	127.4 Å²	127.4	3%	0.027	69%	0.688	C	S	.	*	S	Bend	trans	-70.7	-16.2	179.8	-68.1	0	0	0	0	114.6	P601 V602 C605 I607	C484-P601 HydrophobicContact CB-CB 4.3Å; C484-V602 PolarHBondContact O-N 3.12Å; C484-C605 WeakPolarHBondContact CA-SG 2.93Å; C484-C605 HydrophobicContact CB-CB 3.82Å; C484-C605 WeakPolarHBondContact CB-SG 3.02Å; C484-C605 WeakPolarHBondContact SG-CB 3.41Å; C484-C605 CovalentContact SG-SG 2.02Å; C484-C605 PolarHBondContact SG-SG 3.16Å; C484-I607 HydrophobicContact CB-CD1 3.62Å; C484-I607 WeakPolarHBondContact SG-CD1 3Å
485	F	70.1	Confident	40.2	Very low	29 Å²	29	125.4 Å²	125.4	13%	0.127	69%	0.693	C	S	.	*	S	Bend	trans	-96.9	122.6	-178.9	-55.4	-84.8	0	0	0	110.2	R483 H487 C679 D681 L684 V686	R483-F485 PolarHBondContact O-N 3.33Å; F485-H487 PolarHBondContact O-N 3.27Å; F485-C679 HydrophobicContact CZ-CB 4.2Å; F485-D681 HydrophobicContact CB-CB 4.39Å; F485-D681 HydrophobicContact CD1-CB 3.44Å; F485-D681 VanDerWaalsContact CD1-CB 3.44Å; F485-D681 HydrophobicContact CD2-CB 3.53Å; F485-D681 HydrophobicContact CE1-CB 3.37Å; F485-D681 VanDerWaalsContact CE1-N 3.3Å; F485-D681 HydrophobicContact CE2-CB 3.5Å; F485-D681 HydrophobicContact CG-CB 3.51Å; F485-D681 HydrophobicContact CZ-CB 3.41Å; F485-D681 VanDerWaalsContact CZ-CB 3.41Å; F485-L684 HydrophobicContact CD1-CB 4.16Å; F485-V686 HydrophobicContact CD1-CG1 4.04Å; F485-V686 HydrophobicContact CD1-CG2 4.06Å; F485-V686 HydrophobicContact CE1-CB 4.48Å; F485-V686 HydrophobicContact CE1-CG1 4.2Å; F485-V686 HydrophobicContact CE1-CG2 3.52Å; F485-V686 HydrophobicContact CZ-CG2 3.91Å
486	V	56.1	Low	40	Very low	83 Å²	83	125.7 Å²	125.7	50%	0.503	70%	0.695	S	S	.	*			trans	-87.8	92.2	174.9	-172.3	0	0	0	0	109.3	K488 V602	V486-K488 HydrophobicContact CG1-CG 3.76Å; V486-K488 PolarHBondContact O-N 2.96Å; V486-K488 VanDerWaalsContact O-N 3.08Å; V486-V602 HydrophobicContact CG2-CG2 3.18Å
487	H	49	Very low	40	Very low	112 Å²	112	124.4 Å²	124.4	52%	0.519	69%	0.689	S	S	.	*			trans	-78	84.6	168	-67.9	-70.3	0	0	0	109.4	F485 R489 D681	F485-H487 PolarHBondContact O-N 3.27Å; H487-R489 PolarHBondContact O-N 3.49Å; H487-R489 VanDerWaalsContact O-N 3.12Å; H487-D681 IonicContact CE1-OD2 3.2Å; H487-D681 IonicContact NE2-OD2 3.41Å; H487-D681 PolarHBondContact NE2-OD2 3.18Å
488	K	37.5	Very low	39.8	Very low	173 Å²	173	127.1 Å²	127.1	75%	0.752	70%	0.701	S	S	*	*			trans	-68.2	109.3	173.4	-74.1	-165.3	179.1	179.4	0	109.7	V486 T490	V486-K488 HydrophobicContact CG1-CG 3.76Å; V486-K488 PolarHBondContact O-N 2.96Å; V486-K488 VanDerWaalsContact O-N 3.08Å; K488-T490 PolarHBondContact O-N 2.89Å; K488-T490 VanDerWaalsContact O-N 3.14Å
489	R	35.2	Very low	40.1	Very low	250 Å²	250	120.8 Å²	120.8	94%	0.943	69%	0.689	S	S	*	*			trans	-75.8	91.2	164.2	-78.2	-171.3	178.8	-175.7	0.4	110	H487	H487-R489 PolarHBondContact O-N 3.49Å; H487-R489 VanDerWaalsContact O-N 3.12Å
490	T	26.5	Very low	40.3	Very low	126 Å²	126	123.2 Å²	123.2	77%	0.773	69%	0.694	S	S	*	*			trans	-142.8	132.8	156.5	44.2	0	0	0	0	109.4	K488	K488-T490 PolarHBondContact O-N 2.89Å; K488-T490 VanDerWaalsContact O-N 3.14Å
491	R	24.8	Very low	41.1	Very low	255 Å²	255	119 Å²	119	96%	0.962	67%	0.67	S	S	*	*			trans	-55.3	151.8	-174.2	-73.5	172.1	172.4	156.1	-4.4	114.3
492	I	33.3	Very low	41.8	Very low	160 Å²	160	117.3 Å²	117.3	82%	0.821	66%	0.655	S	S	*	*			trans	-67.2	144.8	-171.6	-63.4	178.6	0	0	0	115
493	V	26.4	Very low	42.5	Very low	153 Å²	153	113.8 Å²	113.8	93%	0.927	64%	0.635	S	S	*	*				-156.2	123.8	126.8	-175.4	0	0	0	0	109.9
494	G	25.4	Very low	43.4	Very low	73 Å²	73	105.5 Å²	105.5	75%	0.753	61%	0.605	S	S	*	*	S	Bend	trans	118.5	75.8	152.6	0	0	0	0	0	119.6
495	G	24.5	Very low	44.6	Very low	85 Å²	85	106 Å²	106	88%	0.876	61%	0.606	S	S	*	*			trans	104.2	115	148.5	0	0	0	0	0	118.7
496	A	25.8	Very low	45.5	Very low	98 Å²	98	104.8 Å²	104.8	81%	0.81	60%	0.601	S	S	*	*			trans	-112.9	-175.5	164.7	0	0	0	0	0	108.7
497	P	31.3	Very low	47.3	Very low	114 Å²	114	100.8 Å²	100.8	74%	0.74	58%	0.577	S	S	*	*			cis	-122.9	154	-46.3	35.1	-21.3	0	0	0	111.6
498	V	26.4	Very low	49.3	Very low	151 Å²	151	95.5 Å²	95.5	92%	0.915	55%	0.552	S	S	*	*			trans	-160.6	134.1	154	-134.6	0	0	0	0	113.4
499	G	37.4	Very low	51.9	Low	64 Å²	64	87.2 Å²	87.2	66%	0.66	52%	0.517	S	S	*	.			trans	-83.7	168.5	147.7	0	0	0	0	0	109.3
500	I	39.2	Very low	54.5	Low	167 Å²	167	75.5 Å²	75.5	86%	0.856	47%	0.473	S	S	*	.			cis	-148.8	120	25.7	-70.6	158	0	0	0	105.8
501	S	54.3	Low	57.3	Low	37 Å²	37	73.3 Å²	73.3	26%	0.259	45%	0.452	S	S	.	.			trans	-152.9	74.5	144.6	52.3	0	0	0	0	106	G503 S504 D593	S501-G503 PolarHBondContact O-N 3.36Å; S501-G503 VanDerWaalsContact O-N 3.13Å; S501-S504 WeakPolarHBondContact O-CB 3.25Å; S501-S504 PolarHBondContact O-N 3.48Å; S501-S504 PolarHBondContact O-OG 2.85Å; S501-S504 WeakPolarHBondContact OG-CB 3.32Å; S501-S504 PolarHBondContact OG-OG 3.39Å; S501-S504 VanDerWaalsContact OG-OG 3.07Å; S501-D593 PolarHBondContact OG-O 2.81Å
502	D	67.9	Low	60.2	Low	65 Å²	65	63.4 Å²	63.4	35%	0.348	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	117.1	170.6	-162	8	0	0	0	107.4	K614 Y616 K685	D502-K614 IonicContact OD2-NZ 3.93Å; D502-Y616 WeakPolarHBondContact OD1-CE1 3.35Å; D502-Y616 PolarHBondContact OD1-OH 2.02Å; D502-Y616 PolarHBondContact OD2-OH 3.08Å; D502-K685 VanDerWaalsContact CG-NZ 3.28Å; D502-K685 IonicContact OD1-NZ 3.1Å; D502-K685 PolarHBondContact OD1-NZ 3Å; D502-K685 IonicContact OD2-NZ 2.67Å
503	G	71.6	Confident	62.3	Low	6 Å²	6	60.9 Å²	60.9	6%	0.062	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	15.7	-170.3	0	0	0	0	0	116.2	S501 W505 M506	S501-G503 PolarHBondContact O-N 3.36Å; S501-G503 VanDerWaalsContact O-N 3.13Å; G503-W505 PolarHBondContact O-N 2.58Å; G503-W505 VanDerWaalsContact O-N 3.13Å; G503-M506 WeakPolarHBondContact O-CB 2.95Å; G503-M506 WeakPolarHBondContact O-CG 3.32Å; G503-M506 PolarHBondContact O-N 3.36Å
504	S	84.6	Confident	65	Low	10 Å²	10	57.5 Å²	57.5	7%	0.07	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.2	174.1	39.1	0	0	0	0	115.7	S501 M506 N594 V595 H596	S501-S504 WeakPolarHBondContact O-CB 3.25Å; S501-S504 PolarHBondContact O-N 3.48Å; S501-S504 PolarHBondContact O-OG 2.85Å; S501-S504 WeakPolarHBondContact OG-CB 3.32Å; S501-S504 PolarHBondContact OG-OG 3.39Å; S501-S504 VanDerWaalsContact OG-OG 3.07Å; S504-M506 VanDerWaalsContact C-N 3.32Å; S504-N594 VanDerWaalsContact CB-O 3.31Å; S504-N594 WeakPolarHBondContact CB-O 3.46Å; S504-V595 WeakPolarHBondContact O-CA 3.5Å; S504-H596 PolarHBondContact O-N 3.26Å; S504-H596 VanDerWaalsContact O-N 3.12Å; S504-H596 PolarHBondContact OG-ND1 3.01Å; S504-H596 VanDerWaalsContact OG-ND1 3.14Å
505	W	89.3	Confident	67.9	Low	14 Å²	14	54.4 Å²	54.4	5%	0.053	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.1	168.9	52	82.5	0	0	0	113.1	G503 V507 S520 L521 H596 I598 Y616 V678 K685	G503-W505 PolarHBondContact O-N 2.58Å; G503-W505 VanDerWaalsContact O-N 3.13Å; W505-V507 PolarHBondContact O-N 3.38Å; W505-S520 CarbonylContact O-C 3.51Å; W505-S520 WeakPolarHBondContact O-CA 3.29Å; W505-L521 PolarHBondContact O-N 3.08Å; W505-H596 WeakPolarHBondContact CA-O 2.95Å; W505-H596 WeakPolarHBondContact CB-O 3.26Å; W505-I598 HydrophobicContact CB-CB 3.81Å; W505-I598 HydrophobicContact CB-CG2 4.25Å; W505-I598 HydrophobicContact CD2-CB 3.99Å; W505-I598 HydrophobicContact CD2-CD1 3.83Å; W505-I598 HydrophobicContact CD2-CG1 4.24Å; W505-I598 HydrophobicContact CE3-CB 4.49Å; W505-I598 HydrophobicContact CE3-CD1 3.96Å; W505-I598 HydrophobicContact CG-CB 3.66Å; W505-I598 HydrophobicContact CG-CD1 4.39Å; W505-I598 HydrophobicContact CG-CG1 4.28Å; W505-I598 HydrophobicContact CG-CG2 4.29Å; W505-I598 HydrophobicContact CH2-CD1 4.36Å; W505-I598 HydrophobicContact CZ2-CD1 4.2Å; W505-I598 HydrophobicContact CZ3-CD1 4.23Å; W505-Y616 HydrophobicContact CZ2-CE1 4.41Å; W505-Y616 HydrophobicContact CZ2-CE2 4.22Å; W505-V678 HydrophobicContact CZ2-CG2 4.34Å; W505-K685 HydrophobicContact CH2-CD 3.36Å; W505-K685 HydrophobicContact CZ2-CD 4.16Å; W505-K685 HydrophobicContact CZ3-CD 4.04Å
506	M	89.3	Confident	70.8	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.02	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.9	-177.8	-70.2	-60.1	-63.8	0	0	111.1	G503 S504 Y616 W618 L630 P676	G503-M506 WeakPolarHBondContact O-CB 2.95Å; G503-M506 WeakPolarHBondContact O-CG 3.32Å; G503-M506 PolarHBondContact O-N 3.36Å; S504-M506 VanDerWaalsContact C-N 3.32Å; M506-Y616 WeakPolarHBondContact SD-CB 3.24Å; M506-Y616 HydrophobicContact SD-CG 4.34Å; M506-W618 HydrophobicContact CB-CH2 3.59Å; M506-W618 HydrophobicContact CB-CZ2 4.28Å; M506-W618 HydrophobicContact CB-CZ3 4.23Å; M506-W618 HydrophobicContact CE-CE3 4.34Å; M506-W618 HydrophobicContact CE-CH2 4.26Å; M506-W618 HydrophobicContact CE-CZ3 3.8Å; M506-L630 HydrophobicContact CB-CD1 4.39Å; M506-L630 HydrophobicContact CB-CD2 4.27Å; M506-L630 HydrophobicContact CE-CD1 3.96Å; M506-L630 HydrophobicContact CG-CD1 3.92Å; M506-L630 HydrophobicContact CG-CD2 3.88Å; M506-P676 HydrophobicContact CE-CG 4.42Å; M506-P676 WeakPolarHBondContact SD-CD 3.37Å; M506-P676 HydrophobicContact SD-CG 3.37Å; M506-P676 WeakPolarHBondContact SD-CG 3.44Å
507	V	92.6	Very high	73.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.3	178.1	175.8	0	0	0	0	108.7	W505 I509 G518 G519 L521 V527 V546 L548	W505-V507 PolarHBondContact O-N 3.38Å; V507-I509 HydrophobicContact CG1-CG1 4.23Å; V507-G518 CarbonylContact O-C 3.4Å; V507-G518 WeakPolarHBondContact O-CA 3.48Å; V507-G519 PolarHBondContact N-O 3.32Å; V507-G519 PolarHBondContact O-N 2.91Å; V507-L521 HydrophobicContact CG2-CB 4.09Å; V507-V527 HydrophobicContact CB-CG1 3.9Å; V507-V527 HydrophobicContact CB-CG2 4.49Å; V507-V527 HydrophobicContact CG1-CG1 3.92Å; V507-V527 HydrophobicContact CG1-CG2 4.28Å; V507-V527 HydrophobicContact CG2-CB 4.4Å; V507-V527 HydrophobicContact CG2-CG1 3.78Å; V507-V527 HydrophobicContact CG2-CG2 3.72Å; V507-V546 HydrophobicContact CG1-CB 4.35Å; V507-V546 HydrophobicContact CG1-CG1 3.5Å; V507-V546 HydrophobicContact CG1-CG2 4.25Å; V507-L548 HydrophobicContact CB-CD2 4.45Å; V507-L548 HydrophobicContact CG2-CD2 3.44Å; V507-L548 VanDerWaalsContact CG2-CD2 3.44Å
508	S	91.1	Very high	76.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112	169.9	178.4	0	0	0	0	108.7	Q510 H515 W547	S508-Q510 PolarHBondContact OG-NE2 2.89Å; S508-H515 PolarHBondContact OG-ND1 3.15Å; S508-W547 PolarHBondContact N-O 3.45Å; S508-W547 PolarHBondContact O-N 3.1Å
509	I	92.1	Very high	79.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.3	173.8	-57.8	164.5	0	0	0	107.1	V507 W516 C517 T529 F534 Y544 V546 L583	V507-I509 HydrophobicContact CG1-CG1 4.23Å; I509-W516 WeakPolarHBondContact O-CB 3.47Å; I509-W516 PolarHBondContact O-N 3.07Å; I509-C517 WeakPolarHBondContact CA-O 3.46Å; I509-C517 HydrophobicContact CB-CB 4.28Å; I509-C517 WeakPolarHBondContact CB-O 3.46Å; I509-C517 HydrophobicContact CD1-CB 4.16Å; I509-C517 PolarHBondContact N-O 3.44Å; I509-C517 PolarHBondContact O-N 3.01Å; I509-T529 HydrophobicContact CD1-CG2 4.03Å; I509-T529 WeakPolarHBondContact CD1-OG1 3.18Å; I509-F534 HydrophobicContact CG2-CZ 4.5Å; I509-Y544 HydrophobicContact CG2-CD1 4.05Å; I509-V546 HydrophobicContact CG1-CG2 4.48Å; I509-L583 HydrophobicContact CD1-CD1 3.71Å; I509-L583 HydrophobicContact CG1-CD1 4.17Å
510	Q	90.2	Very high	82.3	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.5	179.9	-63.5	-71.9	-39.4	0	0	109.7	S508 S513 V514 Y544 R545 W547	S508-Q510 PolarHBondContact OG-NE2 2.89Å; Q510-S513 VanDerWaalsContact OE1-C 3.31Å; Q510-V514 WeakPolarHBondContact CA-O 3Å; Q510-V514 PolarHBondContact OE1-O 2.94Å; Q510-Y544 WeakPolarHBondContact O-CA 3.35Å; Q510-R545 HydrophobicContact CB-CB 4.21Å; Q510-R545 PolarHBondContact N-O 2.69Å; Q510-R545 PolarHBondContact O-N 2.96Å; Q510-W547 HydrophobicContact CG-CD2 3.71Å; Q510-W547 HydrophobicContact CG-CE3 4.23Å; Q510-W547 HydrophobicContact CG-CG 3.94Å; Q510-W547 HydrophobicContact CG-CZ2 4.08Å
511	K	86.5	Confident	84.9	Confident	80 Å²	80	27.5 Å²	27.5	35%	0.348	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.9	166.6	-171.1	-177.6	179.3	-174.5	0	108	S513 V514 W516 E543 Y544	K511-S513 PolarHBondContact O-N 2.88Å; K511-V514 PolarHBondContact N-O 3.47Å; K511-V514 PolarHBondContact O-N 3.4Å; K511-W516 HydrophobicContact CB-CB 3.91Å; K511-W516 HydrophobicContact CB-CG 4.12Å; K511-E543 WeakPolarHBondContact CE-OE2 3.49Å; K511-E543 HydrophobicContact CG-CB 4.44Å; K511-Y544 HydrophobicContact CB-CD1 4.44Å; K511-Y544 HydrophobicContact CB-CE1 4.24Å; K511-Y544 HydrophobicContact CD-CE1 4.32Å; K511-Y544 HydrophobicContact CG-CE1 4.22Å; K511-Y544 HydrophobicContact CG-CE2 4.49Å
512	G	83.8	Confident	86.6	Confident	46 Å²	46	26.2 Å²	26.2	47%	0.474	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-97	-166.1	0	0	0	0	0	111	E543	G512-E543 PolarHBondContact N-O 3.29Å
513	S	79.2	Confident	87.5	Confident	107 Å²	107	28.1 Å²	28.1	75%	0.748	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-141.5	20.8	177.3	-56.2	0	0	0	0	112.7	Q510 K511	Q510-S513 VanDerWaalsContact OE1-C 3.31Å; K511-S513 PolarHBondContact O-N 2.88Å
514	V	83.3	Confident	88.2	Confident	82 Å²	82	32.4 Å²	32.4	50%	0.497	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.4	179	-178.7	0	0	0	0	109	Q510 K511 W516	Q510-V514 WeakPolarHBondContact CA-O 3Å; Q510-V514 PolarHBondContact OE1-O 2.94Å; K511-V514 PolarHBondContact N-O 3.47Å; K511-V514 PolarHBondContact O-N 3.4Å; V514-W516 PolarHBondContact O-N 3.45Å
515	H	85.1	Confident	88.5	Confident	9 Å²	9	32.7 Å²	32.7	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	118.3	171.4	177	64.7	0	0	0	110	S508 C517 L553 W618 R671	S508-H515 PolarHBondContact OG-ND1 3.15Å; H515-C517 PolarHBondContact CE1-O 3.39Å; H515-L553 HydrophobicContact CB-CD1 3.8Å; H515-W618 AromaticContact CE1-CE3 3.6Å; H515-W618 AromaticContact NE2-CE3 3.95Å; H515-R671 PolarHBondContact NE2-O 3.21Å; H515-R671 VanDerWaalsContact NE2-O 3.15Å
516	W	85.4	Confident	88.7	Confident	108 Å²	108	32.1 Å²	32.1	41%	0.409	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-50.1	-174	178.6	-109.4	0	0	0	111.7	I509 K511 V514 C533	I509-W516 WeakPolarHBondContact O-CB 3.47Å; I509-W516 PolarHBondContact O-N 3.07Å; K511-W516 HydrophobicContact CB-CB 3.91Å; K511-W516 HydrophobicContact CB-CG 4.12Å; V514-W516 PolarHBondContact O-N 3.45Å; W516-C533 PolarHBondContact NE1-O 3.23Å
517	C	88.2	Confident	89	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.7	179.7	-86.1	0	0	0	0	112	I509 H515 C533 Y673	I509-C517 WeakPolarHBondContact CA-O 3.46Å; I509-C517 HydrophobicContact CB-CB 4.28Å; I509-C517 WeakPolarHBondContact CB-O 3.46Å; I509-C517 HydrophobicContact CD1-CB 4.16Å; I509-C517 PolarHBondContact N-O 3.44Å; I509-C517 PolarHBondContact O-N 3.01Å; H515-C517 PolarHBondContact CE1-O 3.39Å; C517-C533 HydrophobicContact CB-CB 3.73Å; C517-C533 WeakPolarHBondContact CB-SG 3.44Å; C517-C533 WeakPolarHBondContact SG-CB 3.36Å; C517-C533 CovalentContact SG-SG 2.03Å; C517-C533 PolarHBondContact SG-SG 2.98Å; C517-Y673 WeakPolarHBondContact CB-O 3.34Å
518	G	88.4	Confident	89.1	Confident	2 Å²	2	31.9 Å²	31.9	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	164.4	164.4	0	0	0	0	0	112.9	V507 T529 Y673 G674	V507-G518 CarbonylContact O-C 3.4Å; V507-G518 WeakPolarHBondContact O-CA 3.48Å; G518-T529 PolarHBondContact O-OG1 3.34Å; G518-Y673 PolarHBondContact N-O 3.44Å; G518-G674 CarbonylContact C-O 3.46Å; G518-G674 CarbonylContact O-C 3.55Å; G518-G674 VanDerWaalsContact O-C 3.26Å; G518-G674 WeakPolarHBondContact O-CA 3.4Å
519	G	92.3	Very high	89.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	175	171.4	0	0	0	0	0	110.7	V507 L528 G674	V507-G519 PolarHBondContact N-O 3.32Å; V507-G519 PolarHBondContact O-N 2.91Å; G519-L528 CarbonylContact C-O 3.46Å; G519-L528 VanDerWaalsContact CA-O 3.25Å; G519-L528 WeakPolarHBondContact CA-O 3.37Å; G519-G674 WeakPolarHBondContact CA-O 3.44Å
520	S	94	Very high	89.2	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.9	178.7	-60.7	0	0	0	0	112.1	W505 V522 V527 L528 P676	W505-S520 CarbonylContact O-C 3.51Å; W505-S520 WeakPolarHBondContact O-CA 3.29Å; S520-V522 PolarHBondContact O-N 2.87Å; S520-V527 CarbonylContact O-C 3.49Å; S520-V527 VanDerWaalsContact O-CA 3.31Å; S520-V527 WeakPolarHBondContact O-CA 3.31Å; S520-L528 PolarHBondContact N-O 3.39Å; S520-L528 PolarHBondContact O-N 3.44Å; S520-P676 WeakPolarHBondContact OG-CB 3.26Å; S520-P676 WeakPolarHBondContact OG-CD 3.13Å; S520-P676 WeakPolarHBondContact OG-CG 3.41Å
521	L	92.8	Very high	89.1	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	109.6	175.3	-168.3	72.4	0	0	0	109.2	W505 V507 R523 V527 L548 L585 A589 V595 T597 I598	W505-L521 PolarHBondContact O-N 3.08Å; V507-L521 HydrophobicContact CG2-CB 4.09Å; L521-R523 WeakPolarHBondContact CD1-O 3.32Å; L521-R523 WeakPolarHBondContact CG-O 3.46Å; L521-V527 HydrophobicContact CD1-CG2 3.92Å; L521-L548 HydrophobicContact CB-CD2 4.2Å; L521-L548 HydrophobicContact CD1-CD2 4.16Å; L521-L548 HydrophobicContact CD2-CD2 4.12Å; L521-L548 HydrophobicContact CG-CD2 4.39Å; L521-L585 HydrophobicContact CD1-CD1 4.26Å; L521-A589 HydrophobicContact CD1-CB 4.31Å; L521-A589 HydrophobicContact CD2-CB 3.95Å; L521-V595 HydrophobicContact CD2-CG1 3.86Å; L521-T597 HydrophobicContact CD2-CG2 4.12Å; L521-T597 HydrophobicContact CG-CG2 4.17Å; L521-T597 CarbonylContact O-C 3.49Å; L521-T597 VanDerWaalsContact O-CA 3.27Å; L521-T597 WeakPolarHBondContact O-CA 3.14Å; L521-I598 PolarHBondContact O-N 3.44Å
522	V	90	Very high	89.1	Confident	9 Å²	9	35.4 Å²	35.4	6%	0.055	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-20.4	-178.7	-68.8	0	0	0	0	112.4	S520 W526 L528 L582 I598 L600 F720	S520-V522 PolarHBondContact O-N 2.87Å; V522-W526 HydrophobicContact CG2-CB 3.98Å; V522-W526 VanDerWaalsContact CG2-O 3.31Å; V522-W526 WeakPolarHBondContact CG2-O 3.38Å; V522-W526 PolarHBondContact N-O 2.99Å; V522-L528 HydrophobicContact CG1-CB 3.96Å; V522-L528 HydrophobicContact CG1-CD2 4.42Å; V522-L528 HydrophobicContact CG2-CB 4.44Å; V522-L582 HydrophobicContact CG2-CD2 4.19Å; V522-I598 HydrophobicContact CG1-CG2 3.83Å; V522-L600 HydrophobicContact CB-CD2 4.4Å; V522-L600 HydrophobicContact CB-CG 4.46Å; V522-L600 HydrophobicContact CG1-CD2 3.97Å; V522-L600 HydrophobicContact CG1-CG 4.47Å; V522-F720 HydrophobicContact CG2-CE1 4.44Å; V522-F720 HydrophobicContact CG2-CZ 3.88Å
523	R	88	Confident	89.2	Confident	105 Å²	105	33.3 Å²	33.3	40%	0.396	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	165.8	166.4	-63	-174.6	169.7	-163.2	-1.2	108.2	L521 E525 W526 F720	L521-R523 WeakPolarHBondContact CD1-O 3.32Å; L521-R523 WeakPolarHBondContact CG-O 3.46Å; R523-E525 PolarHBondContact O-N 2.98Å; R523-W526 HydrophobicContact CB-CB 4.06Å; R523-W526 HydrophobicContact CB-CG 4.37Å; R523-W526 PolarHBondContact N-O 3.36Å; R523-W526 PolarHBondContact O-N 2.05Å; R523-W526 VanDerWaalsContact O-O 3.13Å; R523-F720 HydrophobicContact CG-CE1 4.46Å; R523-F720 HydrophobicContact CG-CE2 4.17Å; R523-F720 HydrophobicContact CG-CZ 4.04Å; R523-F720 VanDerWaalsContact NE-CE2 3.27Å
524	E	87.1	Confident	89.6	Confident	96 Å²	96	28.5 Å²	28.5	45%	0.449	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-32.7	-177.3	-61.1	174.5	175	0	0	114.3	P588 A589	E524-P588 HydrophobicContact CB-CB 4.12Å; E524-A589 VanDerWaalsContact O-CB 3.31Å; E524-A589 WeakPolarHBondContact O-CB 3.35Å; E524-A589 PolarHBondContact O-N 2.81Å
525	E	90.3	Very high	89.3	Confident	17 Å²	17	29.6 Å²	29.6	8%	0.079	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	1.8	178.2	-65.4	-169.8	131.7	0	0	114.3	R523 R584 L585 P588 N725	R523-E525 PolarHBondContact O-N 2.98Å; E525-R584 WeakPolarHBondContact O-CA 3.28Å; E525-L585 PolarHBondContact O-N 3.2Å; E525-P588 HydrophobicContact CG-CB 3.86Å; E525-P588 HydrophobicContact CG-CG 3.67Å; E525-P588 WeakPolarHBondContact OE1-CD 3.1Å; E525-P588 WeakPolarHBondContact OE1-CG 3.26Å; E525-N725 WeakPolarHBondContact OE2-CB 3.47Å; E525-N725 PolarHBondContact OE2-OD1 3.42Å
526	W	93.2	Very high	89.1	Confident	1 Å²	1	31.2 Å²	31.2	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.5	-166.5	-64.9	95.8	0	0	0	112.7	V522 R523 I572 L582 L583 R584 V719 F720 N723	V522-W526 HydrophobicContact CG2-CB 3.98Å; V522-W526 VanDerWaalsContact CG2-O 3.31Å; V522-W526 WeakPolarHBondContact CG2-O 3.38Å; V522-W526 PolarHBondContact N-O 2.99Å; R523-W526 HydrophobicContact CB-CB 4.06Å; R523-W526 HydrophobicContact CB-CG 4.37Å; R523-W526 PolarHBondContact N-O 3.36Å; R523-W526 PolarHBondContact O-N 2.05Å; R523-W526 VanDerWaalsContact O-O 3.13Å; W526-I572 HydrophobicContact CH2-CD1 3.65Å; W526-I572 HydrophobicContact CZ3-CD1 3.64Å; W526-I572 HydrophobicContact CZ3-CG1 4.48Å; W526-L582 HydrophobicContact CB-CD2 4.45Å; W526-L582 HydrophobicContact CE3-CB 4.24Å; W526-L582 HydrophobicContact CE3-CD2 4.3Å; W526-L582 HydrophobicContact CZ3-CB 4.38Å; W526-L583 WeakPolarHBondContact CA-O 3.41Å; W526-R584 HydrophobicContact CE3-CB 4.27Å; W526-R584 HydrophobicContact CH2-CB 3.85Å; W526-R584 HydrophobicContact CH2-CG 3.91Å; W526-R584 HydrophobicContact CZ2-CB 4.45Å; W526-R584 HydrophobicContact CZ2-CG 4.05Å; W526-R584 HydrophobicContact CZ3-CB 3.73Å; W526-R584 HydrophobicContact CZ3-CG 4.21Å; W526-V719 HydrophobicContact CE3-CG1 4.43Å; W526-V719 HydrophobicContact CH2-CG1 3.86Å; W526-V719 HydrophobicContact CZ3-CG1 3.79Å; W526-F720 HydrophobicContact CB-CD1 4.49Å; W526-F720 HydrophobicContact CB-CE1 3.68Å; W526-F720 HydrophobicContact CB-CZ 4.37Å; W526-F720 AromaticContact CD1-CD1 3.87Å; W526-F720 AromaticContact CD1-CE1 3.89Å; W526-F720 AromaticContact CD2-CD1 3.89Å; W526-F720 HydrophobicContact CD2-CD1 3.89Å; W526-F720 AromaticContact CD2-CE1 3.83Å; W526-F720 HydrophobicContact CD2-CE1 3.83Å; W526-F720 AromaticContact CE2-CD1 3.98Å; W526-F720 HydrophobicContact CE3-CE1 4.41Å; W526-F720 AromaticContact CG-CD1 3.81Å; W526-F720 HydrophobicContact CG-CD1 3.81Å; W526-F720 AromaticContact CG-CE1 3.47Å; W526-F720 HydrophobicContact CG-CE1 3.47Å; W526-F720 VanDerWaalsContact CG-CE1 3.47Å; W526-F720 AromaticContact NE1-CD1 3.95Å; W526-N723 HydrophobicContact CH2-CB 3.74Å; W526-N723 HydrophobicContact CZ2-CB 3.72Å; W526-N723 WeakPolarHBondContact CZ2-O 3.3Å
527	V	95.3	Very high	88.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129	176.3	176.2	0	0	0	0	110	V507 S520 L521 L582 L583 L585	V507-V527 HydrophobicContact CB-CG1 3.9Å; V507-V527 HydrophobicContact CB-CG2 4.49Å; V507-V527 HydrophobicContact CG1-CG1 3.92Å; V507-V527 HydrophobicContact CG1-CG2 4.28Å; V507-V527 HydrophobicContact CG2-CB 4.4Å; V507-V527 HydrophobicContact CG2-CG1 3.78Å; V507-V527 HydrophobicContact CG2-CG2 3.72Å; S520-V527 CarbonylContact O-C 3.49Å; S520-V527 VanDerWaalsContact O-CA 3.31Å; S520-V527 WeakPolarHBondContact O-CA 3.31Å; L521-V527 HydrophobicContact CD1-CG2 3.92Å; V527-L582 CarbonylContact O-C 3.21Å; V527-L582 WeakPolarHBondContact O-CA 3.28Å; V527-L583 HydrophobicContact CB-CB 4.15Å; V527-L583 HydrophobicContact CB-CD1 4.29Å; V527-L583 HydrophobicContact CB-CG 4.42Å; V527-L583 HydrophobicContact CG1-CD1 4.19Å; V527-L583 PolarHBondContact N-O 3.01Å; V527-L583 PolarHBondContact O-N 2.96Å; V527-L585 HydrophobicContact CG2-CD1 4.31Å; V527-L585 HydrophobicContact CG2-CD2 4.07Å; V527-L585 HydrophobicContact CG2-CG 4.32Å
528	L	95	Very high	88.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.7	174.8	-157.4	69.4	0	0	0	109.9	G519 S520 V522 L580 L582 I687 I690 V709 I716	G519-L528 CarbonylContact C-O 3.46Å; G519-L528 VanDerWaalsContact CA-O 3.25Å; G519-L528 WeakPolarHBondContact CA-O 3.37Å; S520-L528 PolarHBondContact N-O 3.39Å; S520-L528 PolarHBondContact O-N 3.44Å; V522-L528 HydrophobicContact CG1-CB 3.96Å; V522-L528 HydrophobicContact CG1-CD2 4.42Å; V522-L528 HydrophobicContact CG2-CB 4.44Å; L528-L580 HydrophobicContact CD1-CD1 3.8Å; L528-L580 HydrophobicContact CD1-CG 4.48Å; L528-L580 HydrophobicContact CD2-CD1 4.45Å; L528-L580 HydrophobicContact CG-CD1 4.03Å; L528-L582 HydrophobicContact CB-CD2 4.46Å; L528-L582 HydrophobicContact CD1-CD1 4.5Å; L528-L582 HydrophobicContact CD1-CD2 3.52Å; L528-L582 HydrophobicContact CD1-CG 3.68Å; L528-I687 HydrophobicContact CD2-CD1 3.96Å; L528-I690 HydrophobicContact CD1-CD1 4.48Å; L528-I690 HydrophobicContact CD2-CD1 3.54Å; L528-I690 HydrophobicContact CD2-CG1 4.18Å; L528-I690 HydrophobicContact CG-CD1 3.55Å; L528-I690 HydrophobicContact CG-CG1 4.48Å; L528-V709 HydrophobicContact CD2-CG1 4.25Å; L528-V709 HydrophobicContact CD2-CG2 4.21Å; L528-I716 HydrophobicContact CD1-CD1 3.87Å; L528-I716 HydrophobicContact CD1-CG1 4.24Å; L528-I716 HydrophobicContact CD2-CD1 4.06Å
529	T	94.3	Very high	87.8	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	-177.7	-177.7	-170.3	0	0	0	0	111.8	I509 G518 F534 A581 L583 G674	I509-T529 HydrophobicContact CD1-CG2 4.03Å; I509-T529 WeakPolarHBondContact CD1-OG1 3.18Å; G518-T529 PolarHBondContact O-OG1 3.34Å; T529-F534 HydrophobicContact CG2-CE2 3.97Å; T529-A581 HydrophobicContact CG2-CB 4.18Å; T529-A581 PolarHBondContact N-O 2.8Å; T529-A581 PolarHBondContact O-N 2.74Å; T529-L583 HydrophobicContact CG2-CD1 3.99Å; T529-L583 HydrophobicContact CG2-CD2 4.06Å; T529-L583 HydrophobicContact CG2-CG 3.9Å; T529-G674 WeakPolarHBondContact OG1-CA 3.46Å
530	D	90.3	Very high	87.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.8	173.7	-178.4	2.2	0	0	0	110.5	Q532 C533 S579 V692 H693	D530-Q532 PolarHBondContact O-N 3.41Å; D530-Q532 PolarHBondContact OD1-N 3.41Å; D530-C533 VanDerWaalsContact O-CB 3.24Å; D530-C533 WeakPolarHBondContact O-CB 3.43Å; D530-C533 PolarHBondContact O-N 3.47Å; D530-C533 VanDerWaalsContact O-N 3.15Å; D530-C533 PolarHBondContact O-SG 3.36Å; D530-C533 VanDerWaalsContact O-SG 3.42Å; D530-S579 CarbonylContact C-O 3.49Å; D530-S579 WeakPolarHBondContact CA-O 3.12Å; D530-S579 WeakPolarHBondContact OD1-CB 3.35Å; D530-V692 WeakPolarHBondContact OD2-CA 3.45Å; D530-H693 PolarHBondContact OD2-N 2.79Å; D530-H693 IonicContact OD2-ND1 2.78Å
531	R	89	Confident	87.2	Confident	57 Å²	57	39 Å²	39	22%	0.215	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29.2	174.6	172.9	54.6	179.8	75.2	10.3	112.6	C533 F534 S536 C537 C573 S579 A581	R531-C533 PolarHBondContact O-N 2.81Å; R531-F534 PolarHBondContact NH1-O 3.4Å; R531-F534 PolarHBondContact O-N 2.75Å; R531-S536 PolarHBondContact NH1-O 3.21Å; R531-S536 VanDerWaalsContact NH2-CA 3.3Å; R531-C537 PolarHBondContact NE-SG 3.21Å; R531-C537 PolarHBondContact NH2-SG 2.71Å; R531-C537 VanDerWaalsContact NH2-SG 3.42Å; R531-C573 WeakPolarHBondContact CD-SG 3.33Å; R531-C573 PolarHBondContact NE-SG 3.39Å; R531-S579 WeakPolarHBondContact CB-O 3.44Å; R531-S579 PolarHBondContact N-O 3.37Å; R531-A581 HydrophobicContact CB-CB 4.14Å
532	Q	86.1	Confident	86.9	Confident	101 Å²	101	42 Å²	42	47%	0.472	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-71.9	-10.8	179.5	-59.3	-170.7	19.9	0	0	113	D530 F534 S579	D530-Q532 PolarHBondContact O-N 3.41Å; D530-Q532 PolarHBondContact OD1-N 3.41Å; Q532-F534 PolarHBondContact O-N 2.91Å; Q532-S579 PolarHBondContact NE2-OG 2.67Å
533	C	86.3	Confident	86.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.007	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-65.3	-13.8	169.4	-64.2	0	0	0	0	113.3	W516 C517 D530 R531	W516-C533 PolarHBondContact NE1-O 3.23Å; C517-C533 HydrophobicContact CB-CB 3.73Å; C517-C533 WeakPolarHBondContact CB-SG 3.44Å; C517-C533 WeakPolarHBondContact SG-CB 3.36Å; C517-C533 CovalentContact SG-SG 2.03Å; C517-C533 PolarHBondContact SG-SG 2.98Å; D530-C533 VanDerWaalsContact O-CB 3.24Å; D530-C533 WeakPolarHBondContact O-CB 3.43Å; D530-C533 PolarHBondContact O-N 3.47Å; D530-C533 VanDerWaalsContact O-N 3.15Å; D530-C533 PolarHBondContact O-SG 3.36Å; D530-C533 VanDerWaalsContact O-SG 3.42Å; R531-C533 PolarHBondContact O-N 2.81Å
534	F	86.8	Confident	87	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.026	23%	0.232	C	C	.	.	S	Bend	trans	-123.4	144.6	-178.9	-56.9	-85	0	0	0	111	I509 T529 R531 Q532 S536 P539 L541 Y544 I568 V571 L583	I509-F534 HydrophobicContact CG2-CZ 4.5Å; T529-F534 HydrophobicContact CG2-CE2 3.97Å; R531-F534 PolarHBondContact NH1-O 3.4Å; R531-F534 PolarHBondContact O-N 2.75Å; Q532-F534 PolarHBondContact O-N 2.91Å; F534-S536 VanDerWaalsContact C-N 3.31Å; F534-S536 PolarHBondContact O-N 3.34Å; F534-P539 HydrophobicContact CB-CB 4.35Å; F534-P539 HydrophobicContact CB-CG 4.11Å; F534-P539 HydrophobicContact CD1-CG 3.9Å; F534-P539 HydrophobicContact CG-CG 4.31Å; F534-L541 HydrophobicContact CD1-CD2 4.44Å; F534-L541 HydrophobicContact CE1-CD2 4.24Å; F534-Y544 HydrophobicContact CD1-CD1 4.43Å; F534-Y544 HydrophobicContact CD1-CE1 4.02Å; F534-Y544 AromaticContact CE1-CD1 3.9Å; F534-Y544 HydrophobicContact CE1-CD1 3.9Å; F534-Y544 AromaticContact CE1-CE1 3.89Å; F534-Y544 HydrophobicContact CE1-CE1 3.89Å; F534-Y544 HydrophobicContact CE1-CG 4.4Å; F534-I568 HydrophobicContact CE1-CD1 4.08Å; F534-I568 HydrophobicContact CZ-CD1 4.17Å; F534-V571 HydrophobicContact CD1-CG2 4.04Å; F534-V571 HydrophobicContact CD2-CG1 4.11Å; F534-V571 HydrophobicContact CE1-CG2 4Å; F534-V571 HydrophobicContact CE2-CG1 4.42Å; F534-V571 HydrophobicContact CG-CG1 4.36Å; F534-V571 HydrophobicContact CG-CG2 4.33Å; F534-V571 HydrophobicContact CZ-CG2 4.28Å; F534-L583 HydrophobicContact CD2-CD2 4.47Å; F534-L583 HydrophobicContact CE1-CD2 4.33Å; F534-L583 HydrophobicContact CE2-CD1 4.39Å; F534-L583 HydrophobicContact CE2-CD2 3.48Å; F534-L583 VanDerWaalsContact CE2-CD2 3.48Å; F534-L583 HydrophobicContact CE2-CG 4.48Å; F534-L583 HydrophobicContact CZ-CD1 3.91Å; F534-L583 HydrophobicContact CZ-CD2 3.38Å; F534-L583 HydrophobicContact CZ-CG 4.29Å
535	S	78.5	Confident	87.3	Confident	105 Å²	105	40.3 Å²	40.3	73%	0.734	22%	0.221	S	C	*	.	S	Bend	trans	-63.8	-35.3	-179.9	54.8	0	0	0	0	112.9
536	S	79.5	Confident	87.5	Confident	43 Å²	43	39.5 Å²	39.5	30%	0.301	22%	0.217	S	C	.	.	S	Bend	trans	-147.7	-179.1	179.8	84	0	0	0	0	111.3	R531 F534 V538 P539	R531-S536 PolarHBondContact NH1-O 3.21Å; R531-S536 VanDerWaalsContact NH2-CA 3.3Å; F534-S536 VanDerWaalsContact C-N 3.31Å; F534-S536 PolarHBondContact O-N 3.34Å; S536-V538 PolarHBondContact OG-N 2.8Å; S536-V538 PolarHBondContact OG-O 3.47Å; S536-V538 VanDerWaalsContact OG-O 3.06Å; S536-P539 WeakPolarHBondContact O-CD 3.18Å
537	C	75	Confident	87.4	Confident	30 Å²	30	41 Å²	41	20%	0.203	22%	0.223	C	C	.	.	S	Bend	trans	-78	-13.2	172.6	-74.1	0	0	0	0	112.9	R531 P539 C573	R531-C537 PolarHBondContact NE-SG 3.21Å; R531-C537 PolarHBondContact NH2-SG 2.71Å; R531-C537 VanDerWaalsContact NH2-SG 3.42Å; C537-P539 VanDerWaalsContact C-CD 3.43Å; C537-C573 WeakPolarHBondContact CA-SG 3.39Å; C537-C573 HydrophobicContact CB-CB 4.23Å; C537-C573 WeakPolarHBondContact CB-SG 3.37Å; C537-C573 WeakPolarHBondContact SG-CB 3.11Å; C537-C573 CovalentContact SG-SG 2.03Å; C537-C573 PolarHBondContact SG-SG 3.47Å
538	V	78.2	Confident	87.2	Confident	83 Å²	83	41 Å²	41	50%	0.503	22%	0.223	S	C	.	.	S	Bend	trans	-130.1	65.9	173.9	-169.2	0	0	0	0	107.2	A455 I456 S536	A455-V538 HydrophobicContact CB-CG1 4.25Å; I456-V538 HydrophobicContact CD1-CG2 3.75Å; I456-V538 HydrophobicContact CG1-CG2 4.22Å; S536-V538 PolarHBondContact OG-N 2.8Å; S536-V538 PolarHBondContact OG-O 3.47Å; S536-V538 VanDerWaalsContact OG-O 3.06Å
539	P	82.9	Confident	86.8	Confident	16 Å²	16	41.3 Å²	41.3	10%	0.104	23%	0.226	C	C	.	.			trans	-74.6	159.3	-179.3	34.3	-35.4	0	0	0	110.1	F534 S536 C537 L541 V571	F534-P539 HydrophobicContact CB-CB 4.35Å; F534-P539 HydrophobicContact CB-CG 4.11Å; F534-P539 HydrophobicContact CD1-CG 3.9Å; F534-P539 HydrophobicContact CG-CG 4.31Å; S536-P539 WeakPolarHBondContact O-CD 3.18Å; C537-P539 VanDerWaalsContact C-CD 3.43Å; P539-L541 HydrophobicContact CG-CD2 3.82Å; P539-L541 HydrophobicContact CG-CG 4.31Å; P539-L541 PolarHBondContact O-N 2.95Å; P539-V571 HydrophobicContact CG-CG2 3.93Å
540	D	83.8	Confident	86.3	Confident	115 Å²	115	42 Å²	42	62%	0.615	23%	0.23	S	C	*	.			trans	-69	122.6	162.1	-177.8	13.9	0	0	0	109.1	S542 Y544	D540-S542 VanDerWaalsContact OD1-CB 3.29Å; D540-S542 WeakPolarHBondContact OD1-CB 3.35Å; D540-S542 PolarHBondContact OD1-N 2.57Å; D540-S542 PolarHBondContact OD1-OG 3.2Å; D540-S542 PolarHBondContact OD2-OG 3.18Å; D540-Y544 WeakPolarHBondContact O-CD2 3.19Å; D540-Y544 WeakPolarHBondContact O-CE2 3.34Å
541	L	89	Confident	85.8	Confident	31 Å²	31	44.6 Å²	44.6	16%	0.162	25%	0.248	C	C	.	.			trans	-98.9	0.7	-176.4	-66.1	175.3	0	0	0	113	F534 P539 E543 Y544 I568 V571	F534-L541 HydrophobicContact CD1-CD2 4.44Å; F534-L541 HydrophobicContact CE1-CD2 4.24Å; P539-L541 HydrophobicContact CG-CD2 3.82Å; P539-L541 HydrophobicContact CG-CG 4.31Å; P539-L541 PolarHBondContact O-N 2.95Å; L541-E543 VanDerWaalsContact C-N 3.26Å; L541-E543 PolarHBondContact O-N 3.15Å; L541-Y544 HydrophobicContact CD2-CD2 4.28Å; L541-Y544 HydrophobicContact CD2-CG 4.45Å; L541-Y544 PolarHBondContact O-N 2.87Å; L541-I568 HydrophobicContact CD1-CB 4.2Å; L541-I568 HydrophobicContact CD1-CG2 3.86Å; L541-I568 HydrophobicContact CD2-CB 4.24Å; L541-I568 HydrophobicContact CD2-CD1 4.42Å; L541-I568 HydrophobicContact CD2-CG2 4.13Å; L541-V571 HydrophobicContact CD1-CG2 4.42Å; L541-V571 HydrophobicContact CD2-CG2 3.89Å
542	S	87.1	Confident	85.4	Confident	65 Å²	65	42.8 Å²	42.8	46%	0.455	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-42.7	-177.3	62.8	0	0	0	0	112.9	D540 R545	D540-S542 VanDerWaalsContact OD1-CB 3.29Å; D540-S542 WeakPolarHBondContact OD1-CB 3.35Å; D540-S542 PolarHBondContact OD1-N 2.57Å; D540-S542 PolarHBondContact OD1-OG 3.2Å; D540-S542 PolarHBondContact OD2-OG 3.18Å; S542-R545 PolarHBondContact O-NH1 2.79Å; S542-R545 PolarHBondContact O-NH2 3.22Å
543	E	88	Confident	85	Confident	107 Å²	107	39 Å²	39	50%	0.5	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.8	-179.4	-62.6	-176.9	171.8	0	0	114.5	K511 G512 L541	K511-E543 WeakPolarHBondContact CE-OE2 3.49Å; K511-E543 HydrophobicContact CG-CB 4.44Å; G512-E543 PolarHBondContact N-O 3.29Å; L541-E543 VanDerWaalsContact C-N 3.26Å; L541-E543 PolarHBondContact O-N 3.15Å
544	Y	92.4	Very high	84.7	Confident	12 Å²	12	45 Å²	45	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.5	-172.3	-72	-94.6	0	0	0	112.7	I509 Q510 K511 F534 D540 L541	I509-Y544 HydrophobicContact CG2-CD1 4.05Å; Q510-Y544 WeakPolarHBondContact O-CA 3.35Å; K511-Y544 HydrophobicContact CB-CD1 4.44Å; K511-Y544 HydrophobicContact CB-CE1 4.24Å; K511-Y544 HydrophobicContact CD-CE1 4.32Å; K511-Y544 HydrophobicContact CG-CE1 4.22Å; K511-Y544 HydrophobicContact CG-CE2 4.49Å; F534-Y544 HydrophobicContact CD1-CD1 4.43Å; F534-Y544 HydrophobicContact CD1-CE1 4.02Å; F534-Y544 AromaticContact CE1-CD1 3.9Å; F534-Y544 HydrophobicContact CE1-CD1 3.9Å; F534-Y544 AromaticContact CE1-CE1 3.89Å; F534-Y544 HydrophobicContact CE1-CE1 3.89Å; F534-Y544 HydrophobicContact CE1-CG 4.4Å; D540-Y544 WeakPolarHBondContact O-CD2 3.19Å; D540-Y544 WeakPolarHBondContact O-CE2 3.34Å; L541-Y544 HydrophobicContact CD2-CD2 4.28Å; L541-Y544 HydrophobicContact CD2-CG 4.45Å; L541-Y544 PolarHBondContact O-N 2.87Å
545	R	92.4	Very high	83.7	Confident	57 Å²	57	52.6 Å²	52.6	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.7	172.9	-59.8	-67.1	179.2	-88.2	-9.4	110.5	Q510 S542 E565	Q510-R545 HydrophobicContact CB-CB 4.21Å; Q510-R545 PolarHBondContact N-O 2.69Å; Q510-R545 PolarHBondContact O-N 2.96Å; S542-R545 PolarHBondContact O-NH1 2.79Å; S542-R545 PolarHBondContact O-NH2 3.22Å; R545-E565 HydrophobicContact CB-CG 4.38Å; R545-E565 IonicContact NE-OE1 3.69Å
546	V	94.2	Very high	83	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.8	174.3	159.9	0	0	0	0	108.5	V507 I509 L548 E565 V566 I568 L585	V507-V546 HydrophobicContact CG1-CB 4.35Å; V507-V546 HydrophobicContact CG1-CG1 3.5Å; V507-V546 HydrophobicContact CG1-CG2 4.25Å; I509-V546 HydrophobicContact CG1-CG2 4.48Å; V546-L548 HydrophobicContact CG1-CD1 4.24Å; V546-L548 HydrophobicContact CG1-CG 4.05Å; V546-E565 WeakPolarHBondContact O-CA 3.29Å; V546-V566 PolarHBondContact N-O 2.67Å; V546-V566 PolarHBondContact O-N 2.95Å; V546-I568 HydrophobicContact CG2-CD1 4.06Å; V546-I568 HydrophobicContact CG2-CG1 3.71Å; V546-L585 HydrophobicContact CB-CD2 3.96Å; V546-L585 HydrophobicContact CG1-CD2 3.82Å; V546-L585 HydrophobicContact CG2-CD2 3.92Å
547	W	92.3	Very high	82.7	Confident	33 Å²	33	49.7 Å²	49.7	13%	0.125	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.7	173	-67.6	5.5	0	0	0	110.1	S508 Q510 V550 L553 R563 Q564	S508-W547 PolarHBondContact N-O 3.45Å; S508-W547 PolarHBondContact O-N 3.1Å; Q510-W547 HydrophobicContact CG-CD2 3.71Å; Q510-W547 HydrophobicContact CG-CE3 4.23Å; Q510-W547 HydrophobicContact CG-CG 3.94Å; Q510-W547 HydrophobicContact CG-CZ2 4.08Å; W547-V550 HydrophobicContact CB-CG2 4.49Å; W547-L553 HydrophobicContact CE3-CD2 4.01Å; W547-L553 HydrophobicContact CZ3-CD2 4.33Å; W547-R563 HydrophobicContact CB-CG 4.46Å; W547-R563 HydrophobicContact CG-CG 4.4Å; W547-Q564 WeakPolarHBondContact CA-O 3.5Å
548	L	91.1	Very high	82.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.4	179.1	-67.6	154.1	0	0	0	109.9	V507 L521 V546 V550 Q564 V566 L585 A589 V595	V507-L548 HydrophobicContact CB-CD2 4.45Å; V507-L548 HydrophobicContact CG2-CD2 3.44Å; V507-L548 VanDerWaalsContact CG2-CD2 3.44Å; L521-L548 HydrophobicContact CB-CD2 4.2Å; L521-L548 HydrophobicContact CD1-CD2 4.16Å; L521-L548 HydrophobicContact CD2-CD2 4.12Å; L521-L548 HydrophobicContact CG-CD2 4.39Å; V546-L548 HydrophobicContact CG1-CD1 4.24Å; V546-L548 HydrophobicContact CG1-CG 4.05Å; L548-V550 VanDerWaalsContact C-N 3.32Å; L548-Q564 HydrophobicContact CB-CB 4.19Å; L548-Q564 PolarHBondContact N-O 3Å; L548-Q564 PolarHBondContact O-N 3.06Å; L548-V566 HydrophobicContact CD1-CG2 4.32Å; L548-L585 HydrophobicContact CD1-CD1 4.23Å; L548-A589 HydrophobicContact CD1-CB 3.64Å; L548-V595 HydrophobicContact CB-CG1 4.3Å; L548-V595 HydrophobicContact CB-CG2 4.15Å; L548-V595 HydrophobicContact CD2-CG1 4.46Å
549	G	86.3	Confident	81.8	Confident	6 Å²	6	50.6 Å²	50.6	6%	0.062	28%	0.282	C	S	.	.	S	Bend	trans	73.3	25.3	176.2	0	0	0	0	0	113.8	N594	G549-N594 WeakPolarHBondContact CA-ND2 3.38Å; G549-N594 WeakPolarHBondContact CA-O 3.28Å; G549-N594 PolarHBondContact O-ND2 3.37Å
550	V	83.9	Confident	81.2	Confident	15 Å²	15	56.9 Å²	56.9	9%	0.091	30%	0.303	C	S	.	.			trans	-117.2	129.2	178.7	-173.3	0	0	0	0	107.8	W547 L548 D552 L553 D559 R563 W618	W547-V550 HydrophobicContact CB-CG2 4.49Å; L548-V550 VanDerWaalsContact C-N 3.32Å; V550-D552 WeakPolarHBondContact CG1-O 3.03Å; V550-L553 HydrophobicContact CB-CD2 4.46Å; V550-L553 HydrophobicContact CG1-CD2 3.9Å; V550-D559 HydrophobicContact CG1-CB 4.3Å; V550-R563 HydrophobicContact CG2-CB 3.64Å; V550-R563 HydrophobicContact CG2-CG 3.41Å; V550-R563 VanDerWaalsContact CG2-CG 3.41Å; V550-W618 VanDerWaalsContact O-CZ2 3.31Å; V550-W618 WeakPolarHBondContact O-CZ2 3.49Å
551	S	79.1	Confident	80.6	Confident	54 Å²	54	56.8 Å²	56.8	38%	0.378	31%	0.309	S	S	.	.	S	Bend	trans	-103.3	-30.3	168.8	68.4	0	0	0	0	111.1	D559 W618 V629 L630	S551-D559 WeakPolarHBondContact CA-OD2 3.48Å; S551-D559 WeakPolarHBondContact CB-OD2 3.47Å; S551-D559 PolarHBondContact N-OD2 3.18Å; S551-D559 PolarHBondContact OG-OD2 2.8Å; S551-W618 PolarHBondContact O-NE1 2.66Å; S551-V629 CarbonylContact O-C 3.49Å; S551-V629 WeakPolarHBondContact O-CA 3.38Å; S551-L630 WeakPolarHBondContact O-CB 3.17Å; S551-L630 PolarHBondContact O-N 2.98Å
552	D	80.2	Confident	80.1	Confident	18 Å²	18	61.5 Å²	61.5	10%	0.096	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-120.4	116.3	177.2	178.5	-0.3	0	0	0	111.3	V550 R554 S557 D559 D628 V629	V550-D552 WeakPolarHBondContact CG1-O 3.03Å; D552-R554 VanDerWaalsContact C-N 3.3Å; D552-R554 VanDerWaalsContact CG-NE 3.3Å; D552-R554 PolarHBondContact O-N 3.08Å; D552-R554 VanDerWaalsContact OD1-CB 3.25Å; D552-R554 WeakPolarHBondContact OD1-CB 3.32Å; D552-R554 WeakPolarHBondContact OD1-CG 3.44Å; D552-R554 IonicContact OD1-CZ 3.22Å; D552-R554 PolarHBondContact OD1-N 3.06Å; D552-R554 IonicContact OD1-NE 2.98Å; D552-R554 PolarHBondContact OD1-NE 3.32Å; D552-R554 IonicContact OD1-NH2 2.66Å; D552-R554 IonicContact OD2-CZ 2.75Å; D552-R554 VanDerWaalsContact OD2-CZ 3.22Å; D552-R554 IonicContact OD2-NE 3.86Å; D552-R554 PolarHBondContact OD2-NE 3.37Å; D552-R554 IonicContact OD2-NH2 3.77Å; D552-R554 PolarHBondContact OD2-NH2 2.99Å; D552-S557 WeakPolarHBondContact CB-OG 3.47Å; D552-S557 VanDerWaalsContact O-CB 3.26Å; D552-S557 WeakPolarHBondContact O-CB 3.43Å; D552-S557 PolarHBondContact O-OG 3.39Å; D552-S557 VanDerWaalsContact O-OG 3.09Å; D552-D559 PolarHBondContact N-OD2 3.41Å; D552-D628 CarbonylContact C-O 3.53Å; D552-D628 WeakPolarHBondContact CA-O 3.47Å; D552-V629 HydrophobicContact CB-CG2 4.34Å
553	L	78.3	Confident	80.1	Confident	22 Å²	22	62.2 Å²	62.2	12%	0.115	32%	0.321	C	S	.	.			trans	-80.3	-5.3	-175.2	-56.8	171.5	0	0	0	113.4	H515 W547 V550 W618 D628	H515-L553 HydrophobicContact CB-CD1 3.8Å; W547-L553 HydrophobicContact CE3-CD2 4.01Å; W547-L553 HydrophobicContact CZ3-CD2 4.33Å; V550-L553 HydrophobicContact CB-CD2 4.46Å; V550-L553 HydrophobicContact CG1-CD2 3.9Å; L553-W618 HydrophobicContact CD1-CB 4.09Å; L553-W618 HydrophobicContact CD1-CD2 4.1Å; L553-W618 HydrophobicContact CD1-CG 3.74Å; L553-W618 HydrophobicContact CG-CG 4.4Å; L553-D628 HydrophobicContact CB-CB 3.93Å; L553-D628 PolarHBondContact N-O 2.8Å
554	R	79.6	Confident	80.2	Confident	127 Å²	127	58.5 Å²	58.5	48%	0.479	30%	0.303	S	S	.	.	S	Bend	trans	-67.4	146.6	-179.6	-62.8	174.8	-66.9	-171.7	2.3	111.9	D552 G556 S557 D628	D552-R554 VanDerWaalsContact C-N 3.3Å; D552-R554 VanDerWaalsContact CG-NE 3.3Å; D552-R554 PolarHBondContact O-N 3.08Å; D552-R554 VanDerWaalsContact OD1-CB 3.25Å; D552-R554 WeakPolarHBondContact OD1-CB 3.32Å; D552-R554 WeakPolarHBondContact OD1-CG 3.44Å; D552-R554 IonicContact OD1-CZ 3.22Å; D552-R554 PolarHBondContact OD1-N 3.06Å; D552-R554 IonicContact OD1-NE 2.98Å; D552-R554 PolarHBondContact OD1-NE 3.32Å; D552-R554 IonicContact OD1-NH2 2.66Å; D552-R554 IonicContact OD2-CZ 2.75Å; D552-R554 VanDerWaalsContact OD2-CZ 3.22Å; D552-R554 IonicContact OD2-NE 3.86Å; D552-R554 PolarHBondContact OD2-NE 3.37Å; D552-R554 IonicContact OD2-NH2 3.77Å; D552-R554 PolarHBondContact OD2-NH2 2.99Å; R554-G556 PolarHBondContact O-N 2.89Å; R554-G556 VanDerWaalsContact O-N 3.1Å; R554-S557 WeakPolarHBondContact O-CB 3.38Å; R554-S557 PolarHBondContact O-N 3.3Å; R554-D628 HydrophobicContact CG-CB 3.52Å
555	E	66.8	Low	80.2	Confident	166 Å²	166	61.7 Å²	61.7	78%	0.776	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.5	-171.4	-136	178.5	-177.9	0	0	114.8	R560	E555-R560 PolarHBondContact O-NH1 2.98Å
556	G	63.2	Low	80.2	Confident	78 Å²	78	59.1 Å²	59.1	80%	0.804	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	11.6	176.7	0	0	0	0	0	115.3	R554	R554-G556 PolarHBondContact O-N 2.89Å; R554-G556 VanDerWaalsContact O-N 3.1Å
557	S	72.8	Confident	80.2	Confident	8 Å²	8	66.7 Å²	66.7	6%	0.056	34%	0.338	C	S	.	.			trans	-65.9	140.2	-176.1	167.8	0	0	0	0	113.1	D552 R554 D559 R560	D552-S557 WeakPolarHBondContact CB-OG 3.47Å; D552-S557 VanDerWaalsContact O-CB 3.26Å; D552-S557 WeakPolarHBondContact O-CB 3.43Å; D552-S557 PolarHBondContact O-OG 3.39Å; D552-S557 VanDerWaalsContact O-OG 3.09Å; R554-S557 WeakPolarHBondContact O-CB 3.38Å; R554-S557 PolarHBondContact O-N 3.3Å; S557-D559 PolarHBondContact O-N 2.94Å; S557-D559 VanDerWaalsContact O-N 3.13Å; S557-D559 WeakPolarHBondContact OG-CB 3.1Å; S557-D559 PolarHBondContact OG-N 3.49Å; S557-D559 VanDerWaalsContact OG-N 3.08Å; S557-R560 VanDerWaalsContact O-CB 3.3Å; S557-R560 WeakPolarHBondContact O-CB 3.33Å; S557-R560 PolarHBondContact O-N 3.04Å; S557-R560 VanDerWaalsContact O-N 3.13Å
558	P	65.9	Low	80.3	Confident	106 Å²	106	65.7 Å²	65.7	69%	0.688	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.4	171.9	12.8	-12.9	0	0	0	113.9	R560 P561	P558-R560 VanDerWaalsContact C-N 3.35Å; P558-P561 WeakPolarHBondContact O-CD 3.13Å
559	D	68.4	Low	80.2	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.144	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.2	175.8	-67.2	-21.6	0	0	0	113.1	V550 S551 D552 S557 K562 R563	V550-D559 HydrophobicContact CG1-CB 4.3Å; S551-D559 WeakPolarHBondContact CA-OD2 3.48Å; S551-D559 WeakPolarHBondContact CB-OD2 3.47Å; S551-D559 PolarHBondContact N-OD2 3.18Å; S551-D559 PolarHBondContact OG-OD2 2.8Å; D552-D559 PolarHBondContact N-OD2 3.41Å; S557-D559 PolarHBondContact O-N 2.94Å; S557-D559 VanDerWaalsContact O-N 3.13Å; S557-D559 WeakPolarHBondContact OG-CB 3.1Å; S557-D559 PolarHBondContact OG-N 3.49Å; S557-D559 VanDerWaalsContact OG-N 3.08Å; D559-K562 CarbonylContact O-C 3.58Å; D559-K562 WeakPolarHBondContact O-CA 3.46Å; D559-K562 PolarHBondContact O-N 2.8Å; D559-R563 PolarHBondContact O-N 2.96Å
560	R	70.6	Confident	80.3	Confident	147 Å²	147	69.4 Å²	69.4	56%	0.555	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-51	-46	-178.3	-172.6	176.1	178.7	172.1	-0.4	114.5	E555 S557 P558 K562 R563	E555-R560 PolarHBondContact O-NH1 2.98Å; S557-R560 VanDerWaalsContact O-CB 3.3Å; S557-R560 WeakPolarHBondContact O-CB 3.33Å; S557-R560 PolarHBondContact O-N 3.04Å; S557-R560 VanDerWaalsContact O-N 3.13Å; P558-R560 VanDerWaalsContact C-N 3.35Å; R560-K562 VanDerWaalsContact C-N 3.27Å; R560-K562 PolarHBondContact O-N 3.25Å; R560-R563 WeakPolarHBondContact O-CB 3.3Å; R560-R563 PolarHBondContact O-N 2.87Å
561	P	71.9	Confident	80.5	Confident	114 Å²	114	69 Å²	69	74%	0.74	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-69.2	-21.6	176	25.6	-34.8	0	0	0	114	P558	P558-P561 WeakPolarHBondContact O-CD 3.13Å
562	K	77.7	Confident	81	Confident	130 Å²	130	67.3 Å²	67.3	57%	0.565	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-94.3	-6.5	-179.7	-56	-179.6	-178.1	176.6	0	113	D559 R560 N594	D559-K562 CarbonylContact O-C 3.58Å; D559-K562 WeakPolarHBondContact O-CA 3.46Å; D559-K562 PolarHBondContact O-N 2.8Å; R560-K562 VanDerWaalsContact C-N 3.27Å; R560-K562 PolarHBondContact O-N 3.25Å; K562-N594 WeakPolarHBondContact CB-ND2 3.31Å; K562-N594 PolarHBondContact O-ND2 3.33Å
563	R	87.1	Confident	81.4	Confident	79 Å²	79	67.1 Å²	67.1	30%	0.298	35%	0.345	S	S	.	.			trans	-64.9	131.5	179.1	-180	175.4	87.1	-178.6	11.6	111.1	W547 V550 D559 R560 E565	W547-R563 HydrophobicContact CB-CG 4.46Å; W547-R563 HydrophobicContact CG-CG 4.4Å; V550-R563 HydrophobicContact CG2-CB 3.64Å; V550-R563 HydrophobicContact CG2-CG 3.41Å; V550-R563 VanDerWaalsContact CG2-CG 3.41Å; D559-R563 PolarHBondContact O-N 2.96Å; R560-R563 WeakPolarHBondContact O-CB 3.3Å; R560-R563 PolarHBondContact O-N 2.87Å; R563-E565 IonicContact CZ-OE2 3.09Å; R563-E565 IonicContact NH2-OE2 3.89Å; R563-E565 PolarHBondContact NH2-OE2 3.13Å; R563-E565 VanDerWaalsContact NH2-OE2 3.1Å
564	Q	90.4	Very high	81.6	Confident	29 Å²	29	66.2 Å²	66.2	14%	0.136	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.2	166.5	-50.4	-177.4	32	0	0	110	W547 L548 R590	W547-Q564 WeakPolarHBondContact CA-O 3.5Å; L548-Q564 HydrophobicContact CB-CB 4.19Å; L548-Q564 PolarHBondContact N-O 3Å; L548-Q564 PolarHBondContact O-N 3.06Å; Q564-R590 PolarHBondContact NE2-O 3.33Å
565	E	92.1	Very high	81.7	Confident	79 Å²	79	60.5 Å²	60.5	37%	0.369	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.7	175.1	-173.5	175.5	156.1	0	0	110.5	R545 V546 R563 K587	R545-E565 HydrophobicContact CB-CG 4.38Å; R545-E565 IonicContact NE-OE1 3.69Å; V546-E565 WeakPolarHBondContact O-CA 3.29Å; R563-E565 IonicContact CZ-OE2 3.09Å; R563-E565 IonicContact NH2-OE2 3.89Å; R563-E565 PolarHBondContact NH2-OE2 3.13Å; R563-E565 VanDerWaalsContact NH2-OE2 3.1Å; E565-K587 PolarHBondContact O-NZ 3.48Å
566	V	93.5	Very high	81.9	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.5	-174.9	-170.1	0	0	0	0	109.9	V546 L548 L585 K587	V546-V566 PolarHBondContact N-O 2.67Å; V546-V566 PolarHBondContact O-N 2.95Å; L548-V566 HydrophobicContact CD1-CG2 4.32Å; V566-L585 HydrophobicContact CG1-CB 3.83Å; V566-L585 HydrophobicContact CG1-CD1 4.38Å; V566-L585 HydrophobicContact CG1-CD2 4.31Å; V566-L585 HydrophobicContact CG1-CG 4.4Å; V566-K587 HydrophobicContact CG1-CG 3.65Å; V566-K587 HydrophobicContact CG2-CG 4.43Å
567	R	93.4	Very high	82.2	Confident	160 Å²	160	58.2 Å²	58.2	60%	0.604	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	152.1	173.3	-65.8	-178.4	179.8	169.6	-0.9	109.7	S586	R567-S586 WeakPolarHBondContact O-CB 3.42Å; R567-S586 PolarHBondContact O-N 2.73Å; R567-S586 PolarHBondContact O-OG 3.45Å
568	I	93.3	Very high	82.7	Confident	11 Å²	11	58.7 Å²	58.7	6%	0.056	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.5	170.9	-55.8	172.7	0	0	0	107.5	F534 L541 V546 V571 L583	F534-I568 HydrophobicContact CE1-CD1 4.08Å; F534-I568 HydrophobicContact CZ-CD1 4.17Å; L541-I568 HydrophobicContact CD1-CB 4.2Å; L541-I568 HydrophobicContact CD1-CG2 3.86Å; L541-I568 HydrophobicContact CD2-CB 4.24Å; L541-I568 HydrophobicContact CD2-CD1 4.42Å; L541-I568 HydrophobicContact CD2-CG2 4.13Å; V546-I568 HydrophobicContact CG2-CD1 4.06Å; V546-I568 HydrophobicContact CG2-CG1 3.71Å; I568-V571 HydrophobicContact CG2-CG2 4.31Å; I568-L583 HydrophobicContact CD1-CD1 4.05Å; I568-L583 HydrophobicContact CG2-CB 4.28Å
569	A	89.1	Confident	83.5	Confident	57 Å²	57	55.3 Å²	55.3	47%	0.471	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-39.8	174.5	0	0	0	0	0	111.9	R584	A569-R584 WeakPolarHBondContact CB-O 3.37Å; A569-R584 PolarHBondContact N-O 2.7Å
570	Q	88.2	Confident	84.7	Confident	27 Å²	27	54 Å²	54	13%	0.126	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	146.5	-173.3	-168.3	-178.1	3	0	0	111	A455 I572 R584	A455-Q570 VanDerWaalsContact C-NE2 3.34Å; A455-Q570 PolarHBondContact O-NE2 3.34Å; Q570-I572 HydrophobicContact CG-CG1 4.27Å; Q570-R584 HydrophobicContact CB-CB 4.15Å; Q570-R584 PolarHBondContact N-O 2.81Å; Q570-R584 PolarHBondContact O-N 2.99Å
571	V	89.3	Confident	85.7	Confident	7 Å²	7	47 Å²	47	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.5	169.7	-175.9	0	0	0	0	108.6	F534 P539 L541 I568 A581 L583	F534-V571 HydrophobicContact CD1-CG2 4.04Å; F534-V571 HydrophobicContact CD2-CG1 4.11Å; F534-V571 HydrophobicContact CE1-CG2 4Å; F534-V571 HydrophobicContact CE2-CG1 4.42Å; F534-V571 HydrophobicContact CG-CG1 4.36Å; F534-V571 HydrophobicContact CG-CG2 4.33Å; F534-V571 HydrophobicContact CZ-CG2 4.28Å; P539-V571 HydrophobicContact CG-CG2 3.93Å; L541-V571 HydrophobicContact CD1-CG2 4.42Å; L541-V571 HydrophobicContact CD2-CG2 3.89Å; I568-V571 HydrophobicContact CG2-CG2 4.31Å; V571-A581 HydrophobicContact CG1-CB 4.35Å; V571-L583 HydrophobicContact CB-CD2 4.27Å; V571-L583 HydrophobicContact CG1-CD2 3.96Å; V571-L583 HydrophobicContact CG2-CD2 3.83Å
572	I	88.9	Confident	86.8	Confident	19 Å²	19	41.6 Å²	41.6	10%	0.097	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112	179.3	-53.8	-177.4	0	0	0	108.7	W526 Q570 A581 L582 W715 V719	W526-I572 HydrophobicContact CH2-CD1 3.65Å; W526-I572 HydrophobicContact CZ3-CD1 3.64Å; W526-I572 HydrophobicContact CZ3-CG1 4.48Å; Q570-I572 HydrophobicContact CG-CG1 4.27Å; I572-A581 WeakPolarHBondContact O-CA 3.43Å; I572-L582 HydrophobicContact CB-CB 4.35Å; I572-L582 PolarHBondContact N-O 3.47Å; I572-L582 PolarHBondContact O-N 2.95Å; I572-W715 HydrophobicContact CG2-CZ2 4.05Å; I572-V719 HydrophobicContact CD1-CG1 3.61Å; I572-V719 HydrophobicContact CG2-CG1 4.28Å; I572-V719 HydrophobicContact CG2-CG2 4.08Å
573	C	88.1	Confident	87.5	Confident	14 Å²	14	35.4 Å²	35.4	10%	0.095	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135.6	-177.9	-61.1	0	0	0	0	112.5	R400 R531 C537 W715	R400-C573 PolarHBondContact NH2-O 3.39Å; R531-C573 WeakPolarHBondContact CD-SG 3.33Å; R531-C573 PolarHBondContact NE-SG 3.39Å; C537-C573 WeakPolarHBondContact CA-SG 3.39Å; C537-C573 HydrophobicContact CB-CB 4.23Å; C537-C573 WeakPolarHBondContact CB-SG 3.37Å; C537-C573 WeakPolarHBondContact SG-CB 3.11Å; C537-C573 CovalentContact SG-SG 2.03Å; C537-C573 PolarHBondContact SG-SG 3.47Å; C573-W715 WeakPolarHBondContact O-CZ2 3.39Å
574	G	83.8	Confident	87.8	Confident	3 Å²	3	33.2 Å²	33.2	3%	0.031	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-63.7	169.3	172.2	0	0	0	0	0	113.3	R400 S578 L580	R400-G574 PolarHBondContact NH1-O 2.74Å; R400-G574 PolarHBondContact NH2-O 3.26Å; G574-S578 WeakPolarHBondContact CA-OG 3.01Å; G574-S578 PolarHBondContact O-OG 2.76Å; G574-L580 WeakPolarHBondContact CA-O 3.24Å; G574-L580 PolarHBondContact N-O 3.49Å
575	P	80.8	Confident	87.9	Confident	6 Å²	6	31.9 Å²	31.9	4%	0.039	18%	0.184	C	C	.	.	S	Bend	trans	-52.6	165.3	-176.1	-25.3	33.5	0	0	0	115.8	R400 H445 Y460 G577 S578 Y712 W715	R400-P575 PolarHBondContact NH1-O 3.17Å; H445-P575 HydrophobicContact CB-CB 3.95Å; H445-P575 HydrophobicContact CB-CG 3.94Å; H445-P575 VanDerWaalsContact CD2-CG 3.43Å; H445-P575 WeakPolarHBondContact CD2-CG 3.22Å; H445-P575 VanDerWaalsContact CG-CG 3.49Å; Y460-P575 HydrophobicContact CD2-CB 4.39Å; Y460-P575 HydrophobicContact CE2-CB 4.07Å; Y460-P575 HydrophobicContact CE2-CG 3.74Å; P575-G577 PolarHBondContact O-N 2.92Å; P575-S578 VanDerWaalsContact O-CB 3.26Å; P575-S578 WeakPolarHBondContact O-CB 3.4Å; P575-S578 PolarHBondContact O-N 3.31Å; P575-S578 PolarHBondContact O-OG 2.78Å; P575-Y712 HydrophobicContact CB-CE1 4.43Å; P575-Y712 HydrophobicContact CG-CD1 4.01Å; P575-Y712 HydrophobicContact CG-CE1 4.09Å; P575-W715 HydrophobicContact CG-CB 4.32Å; P575-W715 HydrophobicContact CG-CD2 4.46Å; P575-W715 HydrophobicContact CG-CG 3.99Å
576	N	70.6	Confident	87.8	Confident	124 Å²	124	31.2 Å²	31.2	66%	0.663	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	137.3	-176	-165.1	8.7	0	0	0	111.1	S578	N576-S578 PolarHBondContact O-N 3.35Å
577	G	71	Confident	87.7	Confident	72 Å²	72	35.9 Å²	35.9	74%	0.742	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	0.6	-174.1	0	0	0	0	0	115.3	P575	P575-G577 PolarHBondContact O-N 2.92Å
578	S	82	Confident	87.5	Confident	19 Å²	19	31 Å²	31	13%	0.133	20%	0.197	C	C	.	.			trans	-94.9	143.8	172	81.9	0	0	0	0	111.6	G574 P575 N576 L580 Y712	G574-S578 WeakPolarHBondContact CA-OG 3.01Å; G574-S578 PolarHBondContact O-OG 2.76Å; P575-S578 VanDerWaalsContact O-CB 3.26Å; P575-S578 WeakPolarHBondContact O-CB 3.4Å; P575-S578 PolarHBondContact O-N 3.31Å; P575-S578 PolarHBondContact O-OG 2.78Å; N576-S578 PolarHBondContact O-N 3.35Å; S578-L580 VanDerWaalsContact C-N 3.27Å; S578-Y712 VanDerWaalsContact CB-CZ 3.48Å; S578-Y712 VanDerWaalsContact CB-OH 3.23Å; S578-Y712 WeakPolarHBondContact CB-OH 3.44Å
579	S	84.4	Confident	87.3	Confident	34 Å²	34	30.6 Å²	30.6	24%	0.238	20%	0.195	C	C	.	.			trans	-92.2	22.5	167.3	-54.7	0	0	0	0	111.7	D530 R531 Q532 I707	D530-S579 CarbonylContact C-O 3.49Å; D530-S579 WeakPolarHBondContact CA-O 3.12Å; D530-S579 WeakPolarHBondContact OD1-CB 3.35Å; R531-S579 WeakPolarHBondContact CB-O 3.44Å; R531-S579 PolarHBondContact N-O 3.37Å; Q532-S579 PolarHBondContact NE2-OG 2.67Å; S579-I707 VanDerWaalsContact O-CD1 3.25Å; S579-I707 WeakPolarHBondContact O-CD1 3.25Å
580	L	91.7	Very high	87.2	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.6	-175.5	-177.2	63.9	0	0	0	111.5	L528 G574 S578 I690 I707 Y712 W715 I716	L528-L580 HydrophobicContact CD1-CD1 3.8Å; L528-L580 HydrophobicContact CD1-CG 4.48Å; L528-L580 HydrophobicContact CD2-CD1 4.45Å; L528-L580 HydrophobicContact CG-CD1 4.03Å; G574-L580 WeakPolarHBondContact CA-O 3.24Å; G574-L580 PolarHBondContact N-O 3.49Å; S578-L580 VanDerWaalsContact C-N 3.27Å; L580-I690 HydrophobicContact CD1-CD1 3.12Å; L580-I707 HydrophobicContact CB-CD1 4.48Å; L580-I707 HydrophobicContact CB-CG2 4.3Å; L580-I707 HydrophobicContact CD1-CG2 4.33Å; L580-Y712 HydrophobicContact CD2-CD1 4.17Å; L580-Y712 HydrophobicContact CD2-CD2 4.02Å; L580-Y712 HydrophobicContact CD2-CG 3.58Å; L580-W715 HydrophobicContact CD2-CE3 3.44Å; L580-W715 VanDerWaalsContact CD2-CE3 3.44Å; L580-W715 HydrophobicContact CD2-CH2 4.35Å; L580-W715 HydrophobicContact CD2-CZ3 3.3Å; L580-W715 HydrophobicContact CG-CE3 4.27Å; L580-W715 HydrophobicContact CG-CH2 4.33Å; L580-W715 HydrophobicContact CG-CZ3 3.64Å; L580-I716 HydrophobicContact CD2-CG1 4.48Å
581	A	92.4	Very high	86.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.8	169.4	0	0	0	0	0	112.5	T529 R531 V571 I572	T529-A581 HydrophobicContact CG2-CB 4.18Å; T529-A581 PolarHBondContact N-O 2.8Å; T529-A581 PolarHBondContact O-N 2.74Å; R531-A581 HydrophobicContact CB-CB 4.14Å; V571-A581 HydrophobicContact CG1-CB 4.35Å; I572-A581 WeakPolarHBondContact O-CA 3.43Å
582	L	94.1	Very high	86.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.1	170	-89.4	166	0	0	0	109.4	V522 W526 V527 L528 I572 W715 I716 V719 F720	V522-L582 HydrophobicContact CG2-CD2 4.19Å; W526-L582 HydrophobicContact CB-CD2 4.45Å; W526-L582 HydrophobicContact CE3-CB 4.24Å; W526-L582 HydrophobicContact CE3-CD2 4.3Å; W526-L582 HydrophobicContact CZ3-CB 4.38Å; V527-L582 CarbonylContact O-C 3.21Å; V527-L582 WeakPolarHBondContact O-CA 3.28Å; L528-L582 HydrophobicContact CB-CD2 4.46Å; L528-L582 HydrophobicContact CD1-CD1 4.5Å; L528-L582 HydrophobicContact CD1-CD2 3.52Å; L528-L582 HydrophobicContact CD1-CG 3.68Å; I572-L582 HydrophobicContact CB-CB 4.35Å; I572-L582 PolarHBondContact N-O 3.47Å; I572-L582 PolarHBondContact O-N 2.95Å; L582-W715 HydrophobicContact CB-CH2 4.14Å; L582-W715 HydrophobicContact CD1-CE3 4.43Å; L582-W715 HydrophobicContact CD1-CH2 3.76Å; L582-W715 HydrophobicContact CD1-CZ3 3.66Å; L582-W715 HydrophobicContact CG-CH2 4.01Å; L582-W715 HydrophobicContact CG-CZ3 4.02Å; L582-I716 HydrophobicContact CD1-CB 4.39Å; L582-I716 HydrophobicContact CD1-CG1 4.33Å; L582-I716 HydrophobicContact CD1-CG2 4.12Å; L582-V719 HydrophobicContact CD1-CB 3.77Å; L582-V719 HydrophobicContact CD1-CG1 3.72Å; L582-V719 HydrophobicContact CD1-CG2 3.96Å; L582-F720 HydrophobicContact CD1-CE1 4.4Å; L582-F720 HydrophobicContact CD2-CE1 4.25Å
583	L	94.4	Very high	86	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.1	174.3	-44.7	178.3	0	0	0	109	I509 W526 V527 T529 F534 I568 V571	I509-L583 HydrophobicContact CD1-CD1 3.71Å; I509-L583 HydrophobicContact CG1-CD1 4.17Å; W526-L583 WeakPolarHBondContact CA-O 3.41Å; V527-L583 HydrophobicContact CB-CB 4.15Å; V527-L583 HydrophobicContact CB-CD1 4.29Å; V527-L583 HydrophobicContact CB-CG 4.42Å; V527-L583 HydrophobicContact CG1-CD1 4.19Å; V527-L583 PolarHBondContact N-O 3.01Å; V527-L583 PolarHBondContact O-N 2.96Å; T529-L583 HydrophobicContact CG2-CD1 3.99Å; T529-L583 HydrophobicContact CG2-CD2 4.06Å; T529-L583 HydrophobicContact CG2-CG 3.9Å; F534-L583 HydrophobicContact CD2-CD2 4.47Å; F534-L583 HydrophobicContact CE1-CD2 4.33Å; F534-L583 HydrophobicContact CE2-CD1 4.39Å; F534-L583 HydrophobicContact CE2-CD2 3.48Å; F534-L583 VanDerWaalsContact CE2-CD2 3.48Å; F534-L583 HydrophobicContact CE2-CG 4.48Å; F534-L583 HydrophobicContact CZ-CD1 3.91Å; F534-L583 HydrophobicContact CZ-CD2 3.38Å; F534-L583 HydrophobicContact CZ-CG 4.29Å; I568-L583 HydrophobicContact CD1-CD1 4.05Å; I568-L583 HydrophobicContact CG2-CB 4.28Å; V571-L583 HydrophobicContact CB-CD2 4.27Å; V571-L583 HydrophobicContact CG1-CD2 3.96Å; V571-L583 HydrophobicContact CG2-CD2 3.83Å
584	R	92.4	Very high	85.8	Confident	32 Å²	32	48.5 Å²	48.5	12%	0.121	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.3	166.1	-166.2	178.2	-176.6	171.1	6.9	108.7	E525 W526 A569 Q570 P724	E525-R584 WeakPolarHBondContact O-CA 3.28Å; W526-R584 HydrophobicContact CE3-CB 4.27Å; W526-R584 HydrophobicContact CH2-CB 3.85Å; W526-R584 HydrophobicContact CH2-CG 3.91Å; W526-R584 HydrophobicContact CZ2-CB 4.45Å; W526-R584 HydrophobicContact CZ2-CG 4.05Å; W526-R584 HydrophobicContact CZ3-CB 3.73Å; W526-R584 HydrophobicContact CZ3-CG 4.21Å; A569-R584 WeakPolarHBondContact CB-O 3.37Å; A569-R584 PolarHBondContact N-O 2.7Å; Q570-R584 HydrophobicContact CB-CB 4.15Å; Q570-R584 PolarHBondContact N-O 2.81Å; Q570-R584 PolarHBondContact O-N 2.99Å; R584-P724 PolarHBondContact NH2-O 3.31Å
585	L	92.1	Very high	85.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	149.4	174.2	-60	-175	0	0	0	110.6	L521 E525 V527 V546 L548 V566 K587	L521-L585 HydrophobicContact CD1-CD1 4.26Å; E525-L585 PolarHBondContact O-N 3.2Å; V527-L585 HydrophobicContact CG2-CD1 4.31Å; V527-L585 HydrophobicContact CG2-CD2 4.07Å; V527-L585 HydrophobicContact CG2-CG 4.32Å; V546-L585 HydrophobicContact CB-CD2 3.96Å; V546-L585 HydrophobicContact CG1-CD2 3.82Å; V546-L585 HydrophobicContact CG2-CD2 3.92Å; L548-L585 HydrophobicContact CD1-CD1 4.23Å; V566-L585 HydrophobicContact CG1-CB 3.83Å; V566-L585 HydrophobicContact CG1-CD1 4.38Å; V566-L585 HydrophobicContact CG1-CD2 4.31Å; V566-L585 HydrophobicContact CG1-CG 4.4Å; L585-K587 WeakPolarHBondContact CB-O 3.44Å; L585-K587 PolarHBondContact O-N 3.26Å
586	S	90.9	Very high	86.1	Confident	65 Å²	65	52.8 Å²	52.8	46%	0.455	30%	0.299	S	S	.	.	S	Bend	trans	-69.5	-19.8	177.3	71.5	0	0	0	0	113.6	R567	R567-S586 WeakPolarHBondContact O-CB 3.42Å; R567-S586 PolarHBondContact O-N 2.73Å; R567-S586 PolarHBondContact O-OG 3.45Å
587	K	90.7	Very high	86.8	Confident	100 Å²	100	50.3 Å²	50.3	44%	0.435	29%	0.289	S	S	.	.	S	Bend	trans	-149.4	149.2	175.6	54.6	-179.4	-178.6	-174.3	0	108.5	E565 V566 L585	E565-K587 PolarHBondContact O-NZ 3.48Å; V566-K587 HydrophobicContact CG1-CG 3.65Å; V566-K587 HydrophobicContact CG2-CG 4.43Å; L585-K587 WeakPolarHBondContact CB-O 3.44Å; L585-K587 PolarHBondContact O-N 3.26Å
588	P	89.6	Confident	87.7	Confident	57 Å²	57	47.2 Å²	47.2	37%	0.37	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-56.7	140.5	173.8	-20.2	28.3	0	0	0	112.1	E524 E525 R590	E524-P588 HydrophobicContact CB-CB 4.12Å; E525-P588 HydrophobicContact CG-CB 3.86Å; E525-P588 HydrophobicContact CG-CG 3.67Å; E525-P588 WeakPolarHBondContact OE1-CD 3.1Å; E525-P588 WeakPolarHBondContact OE1-CG 3.26Å; P588-R590 PolarHBondContact O-N 3.42Å
589	A	88.8	Confident	87.7	Confident	3 Å²	3	51 Å²	51	3%	0.025	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-60.6	131.2	166	0	0	0	0	0	109	L521 E524 L548 V595	L521-A589 HydrophobicContact CD1-CB 4.31Å; L521-A589 HydrophobicContact CD2-CB 3.95Å; E524-A589 VanDerWaalsContact O-CB 3.31Å; E524-A589 WeakPolarHBondContact O-CB 3.35Å; E524-A589 PolarHBondContact O-N 2.81Å; L548-A589 HydrophobicContact CD1-CB 3.64Å; A589-V595 HydrophobicContact CB-CG1 4.17Å
590	R	87.3	Confident	87.6	Confident	179 Å²	179	50.5 Å²	50.5	68%	0.675	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-75.4	131.5	178.6	-62.8	177.8	179	168.6	-3	108.5	Q564 P588 A592	Q564-R590 PolarHBondContact NE2-O 3.33Å; P588-R590 PolarHBondContact O-N 3.42Å; R590-A592 PolarHBondContact O-N 3.39Å
591	P	80.4	Confident	87.2	Confident	111 Å²	111	50.5 Å²	50.5	72%	0.721	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-56.1	130	172.4	-25	34.5	0	0	0	110.7
592	A	81.5	Confident	86.2	Confident	33 Å²	33	52.5 Å²	52.5	27%	0.273	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-154.6	158.9	177.2	0	0	0	0	0	109.6	R590 N594 V595	R590-A592 PolarHBondContact O-N 3.39Å; A592-N594 WeakPolarHBondContact CB-OD1 3.42Å; A592-N594 PolarHBondContact O-N 3.07Å; A592-V595 HydrophobicContact CB-CB 4.25Å; A592-V595 HydrophobicContact CB-CG2 4.33Å; A592-V595 CarbonylContact O-C 3.48Å; A592-V595 PolarHBondContact O-N 2.56Å; A592-V595 VanDerWaalsContact O-O 3.11Å
593	D	80.1	Confident	85.1	Confident	148 Å²	148	54.3 Å²	54.3	79%	0.791	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.4	-177.7	-57.5	-25.6	0	0	0	113.8	S501 H596	S501-D593 PolarHBondContact OG-O 2.81Å; D593-H596 PolarHBondContact O-CE1 3.47Å; D593-H596 PolarHBondContact O-ND1 3.21Å
594	N	82.2	Confident	84	Confident	30 Å²	30	56.8 Å²	56.8	16%	0.16	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	3.3	178	62.6	-27.2	0	0	0	113.6	S504 G549 K562 A592	S504-N594 VanDerWaalsContact CB-O 3.31Å; S504-N594 WeakPolarHBondContact CB-O 3.46Å; G549-N594 WeakPolarHBondContact CA-ND2 3.38Å; G549-N594 WeakPolarHBondContact CA-O 3.28Å; G549-N594 PolarHBondContact O-ND2 3.37Å; K562-N594 WeakPolarHBondContact CB-ND2 3.31Å; K562-N594 PolarHBondContact O-ND2 3.33Å; A592-N594 WeakPolarHBondContact CB-OD1 3.42Å; A592-N594 PolarHBondContact O-N 3.07Å
595	V	86.1	Confident	83.3	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.042	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-130.8	99.2	-178.7	-176.8	0	0	0	0	109.9	S504 L521 L548 A589 A592	S504-V595 WeakPolarHBondContact O-CA 3.5Å; L521-V595 HydrophobicContact CD2-CG1 3.86Å; L548-V595 HydrophobicContact CB-CG1 4.3Å; L548-V595 HydrophobicContact CB-CG2 4.15Å; L548-V595 HydrophobicContact CD2-CG1 4.46Å; A589-V595 HydrophobicContact CB-CG1 4.17Å; A592-V595 HydrophobicContact CB-CB 4.25Å; A592-V595 HydrophobicContact CB-CG2 4.33Å; A592-V595 CarbonylContact O-C 3.48Å; A592-V595 PolarHBondContact O-N 2.56Å; A592-V595 VanDerWaalsContact O-O 3.11Å
596	H	85.4	Confident	82.7	Confident	92 Å²	92	58.7 Å²	58.7	43%	0.426	34%	0.336	S	S	.	.			trans	-125.4	162	179.5	-67.2	103.9	0	0	0	111.6	S504 W505 D593	S504-H596 PolarHBondContact O-N 3.26Å; S504-H596 VanDerWaalsContact O-N 3.12Å; S504-H596 PolarHBondContact OG-ND1 3.01Å; S504-H596 VanDerWaalsContact OG-ND1 3.14Å; W505-H596 WeakPolarHBondContact CA-O 2.95Å; W505-H596 WeakPolarHBondContact CB-O 3.26Å; D593-H596 PolarHBondContact O-CE1 3.47Å; D593-H596 PolarHBondContact O-ND1 3.21Å
597	T	86.1	Confident	82.4	Confident	72 Å²	72	56.6 Å²	56.6	44%	0.442	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-94.3	139.3	174.2	59.2	0	0	0	0	110.5	L521	L521-T597 HydrophobicContact CD2-CG2 4.12Å; L521-T597 HydrophobicContact CG-CG2 4.17Å; L521-T597 CarbonylContact O-C 3.49Å; L521-T597 VanDerWaalsContact O-CA 3.27Å; L521-T597 WeakPolarHBondContact O-CA 3.14Å
598	I	88.4	Confident	82.1	Confident	6 Å²	6	56 Å²	56	3%	0.031	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-86.7	143.2	172.1	-168.3	60.9	0	0	0	110.7	W505 L521 V522 V678 K685 I687	W505-I598 HydrophobicContact CB-CB 3.81Å; W505-I598 HydrophobicContact CB-CG2 4.25Å; W505-I598 HydrophobicContact CD2-CB 3.99Å; W505-I598 HydrophobicContact CD2-CD1 3.83Å; W505-I598 HydrophobicContact CD2-CG1 4.24Å; W505-I598 HydrophobicContact CE3-CB 4.49Å; W505-I598 HydrophobicContact CE3-CD1 3.96Å; W505-I598 HydrophobicContact CG-CB 3.66Å; W505-I598 HydrophobicContact CG-CD1 4.39Å; W505-I598 HydrophobicContact CG-CG1 4.28Å; W505-I598 HydrophobicContact CG-CG2 4.29Å; W505-I598 HydrophobicContact CH2-CD1 4.36Å; W505-I598 HydrophobicContact CZ2-CD1 4.2Å; W505-I598 HydrophobicContact CZ3-CD1 4.23Å; L521-I598 PolarHBondContact O-N 3.44Å; V522-I598 HydrophobicContact CG1-CG2 3.83Å; I598-V678 HydrophobicContact CD1-CG1 4.12Å; I598-K685 HydrophobicContact CD1-CB 3.69Å; I598-K685 VanDerWaalsContact CD1-O 3.29Å; I598-K685 WeakPolarHBondContact CD1-O 3.38Å; I598-I687 HydrophobicContact CG1-CB 4.1Å; I598-I687 HydrophobicContact CG1-CG2 4.42Å; I598-I687 HydrophobicContact CG2-CB 4.19Å; I598-I687 HydrophobicContact CG2-CG2 4Å
599	Q	83.4	Confident	82	Confident	99 Å²	99	58 Å²	58	46%	0.463	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-75.4	136.2	179.9	-62.5	-174	-3.3	0	0	111.5	K685 V686 I687	Q599-K685 WeakPolarHBondContact CB-O 3.05Å; Q599-V686 HydrophobicContact CB-CG1 4.16Å; Q599-V686 WeakPolarHBondContact O-CA 3.43Å; Q599-I687 PolarHBondContact O-N 2.9Å; Q599-I687 VanDerWaalsContact O-N 3.1Å
600	L	81.2	Confident	81.9	Confident	23 Å²	23	60 Å²	60	12%	0.12	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-78	142.2	170.2	-69.4	169.7	0	0	0	110.4	V522 I687 V709 T713 I716 Y717 F720	V522-L600 HydrophobicContact CB-CD2 4.4Å; V522-L600 HydrophobicContact CB-CG 4.46Å; V522-L600 HydrophobicContact CG1-CD2 3.97Å; V522-L600 HydrophobicContact CG1-CG 4.47Å; L600-I687 HydrophobicContact CD2-CG2 3.97Å; L600-V709 HydrophobicContact CD2-CG1 4.28Å; L600-T713 HydrophobicContact CB-CG2 4.47Å; L600-I716 HydrophobicContact CD1-CB 4.48Å; L600-I716 HydrophobicContact CD1-CG2 3.51Å; L600-I716 HydrophobicContact CD2-CD1 3.98Å; L600-I716 HydrophobicContact CD2-CG2 4.31Å; L600-Y717 HydrophobicContact CD1-CE1 4.25Å; L600-F720 HydrophobicContact CD1-CE2 3.68Å; L600-F720 HydrophobicContact CD1-CZ 4.13Å
601	P	83.3	Confident	81.9	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-75.6	160.1	-178.5	32.5	-35.1	0	0	0	111.1	C484 A603 I687 V709 P710 T713	C484-P601 HydrophobicContact CB-CB 4.3Å; P601-A603 PolarHBondContact O-N 3.4Å; P601-I687 WeakPolarHBondContact CD-O 3.3Å; P601-I687 VanDerWaalsContact CG-O 3.3Å; P601-I687 WeakPolarHBondContact CG-O 3.48Å; P601-V709 HydrophobicContact CG-CB 4.47Å; P601-V709 HydrophobicContact CG-CG1 4.01Å; P601-P710 HydrophobicContact CB-CG 4.05Å; P601-P710 HydrophobicContact CG-CB 4.31Å; P601-P710 HydrophobicContact CG-CG 3.75Å; P601-T713 WeakPolarHBondContact O-CG2 3.46Å; P601-T713 PolarHBondContact O-OG1 2.83Å
602	V	71.2	Confident	82.2	Confident	42 Å²	42	52.3 Å²	52.3	26%	0.255	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-56.8	133.7	171.3	-178.6	0	0	0	0	110.2	V482 C484 V486 G604 C605	V482-V602 HydrophobicContact CG1-CB 4.49Å; V482-V602 HydrophobicContact CG1-CG1 3.73Å; C484-V602 PolarHBondContact O-N 3.12Å; V486-V602 HydrophobicContact CG2-CG2 3.18Å; V602-G604 PolarHBondContact O-N 3.46Å; V602-C605 HydrophobicContact CB-CB 4.11Å; V602-C605 WeakPolarHBondContact O-CB 2.95Å; V602-C605 PolarHBondContact O-N 2.95Å; V602-C605 PolarHBondContact O-SG 2.76Å
603	A	72	Confident	82.6	Confident	38 Å²	38	50.8 Å²	50.8	31%	0.314	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	128.4	-179.3	0	0	0	0	0	111.7	P601 C605 T713 Q714	P601-A603 PolarHBondContact O-N 3.4Å; A603-C605 PolarHBondContact O-N 2.65Å; A603-T713 HydrophobicContact CB-CG2 4.29Å; A603-Q714 HydrophobicContact CB-CG 3.79Å
604	G	70.9	Confident	83	Confident	52 Å²	52	46.7 Å²	46.7	54%	0.536	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	7.1	178.5	0	0	0	0	0	115.2	V602 P710	V602-G604 PolarHBondContact O-N 3.46Å; G604-P710 PolarHBondContact N-O 3.03Å
605	C	77.5	Confident	83.1	Confident	7 Å²	7	45.6 Å²	45.6	5%	0.047	27%	0.274	C	S	.	.			trans	-66.8	155.8	175.5	73.5	0	0	0	0	111.9	V482 C484 V602 A603 P710	V482-C605 WeakPolarHBondContact O-CA 3.27Å; V482-C605 VanDerWaalsContact O-CB 3.24Å; V482-C605 WeakPolarHBondContact O-CB 3.4Å; C484-C605 WeakPolarHBondContact CA-SG 2.93Å; C484-C605 HydrophobicContact CB-CB 3.82Å; C484-C605 WeakPolarHBondContact CB-SG 3.02Å; C484-C605 WeakPolarHBondContact SG-CB 3.41Å; C484-C605 CovalentContact SG-SG 2.02Å; C484-C605 PolarHBondContact SG-SG 3.16Å; V602-C605 HydrophobicContact CB-CB 4.11Å; V602-C605 WeakPolarHBondContact O-CB 2.95Å; V602-C605 PolarHBondContact O-N 2.95Å; V602-C605 PolarHBondContact O-SG 2.76Å; A603-C605 PolarHBondContact O-N 2.65Å; C605-P710 WeakPolarHBondContact O-CB 3.39Å
606	S	80.8	Confident	83	Confident	67 Å²	67	45.5 Å²	45.5	47%	0.469	27%	0.273	S	S	.	.			trans	-114.9	138	176.1	57.4	0	0	0	0	110.5
607	I	84.3	Confident	82.8	Confident	22 Å²	22	41.4 Å²	41.4	11%	0.113	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-92.9	128.2	169.3	-56.4	-67	0	0	0	108.1	C484 T611 I637 C679 V688	C484-I607 HydrophobicContact CB-CD1 3.62Å; C484-I607 WeakPolarHBondContact SG-CD1 3Å; I607-T611 HydrophobicContact CG2-CG2 3.8Å; I607-I637 HydrophobicContact CB-CG1 4.38Å; I607-I637 HydrophobicContact CG2-CB 4.42Å; I607-I637 HydrophobicContact CG2-CG1 3.7Å; I607-C679 HydrophobicContact CD1-CB 4.43Å; I607-V688 HydrophobicContact CD1-CG1 3.81Å; I607-V688 HydrophobicContact CG1-CB 4.28Å; I607-V688 HydrophobicContact CG1-CG1 3.84Å
608	P	84.4	Confident	82.4	Confident	86 Å²	86	38.3 Å²	38.3	56%	0.558	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-58.6	144.2	177.6	-23.9	33.5	0	0	0	112.5	T611	P608-T611 WeakPolarHBondContact O-CB 3.49Å; P608-T611 PolarHBondContact O-N 2.88Å; P608-T611 PolarHBondContact O-OG1 3.08Å
609	E	86.7	Confident	81.3	Confident	99 Å²	99	38.3 Å²	38.3	46%	0.463	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	142.2	172.1	-176.9	171.4	165.1	0	0	109.9	T611 G639 R642	E609-T611 VanDerWaalsContact C-N 3.26Å; E609-T611 PolarHBondContact O-N 3.11Å; E609-G639 PolarHBondContact OE2-N 3.07Å; E609-R642 WeakPolarHBondContact OE1-CD 3.37Å; E609-R642 IonicContact OE1-CZ 2.89Å; E609-R642 IonicContact OE1-NE 3.46Å; E609-R642 IonicContact OE1-NH1 3.66Å; E609-R642 PolarHBondContact OE1-NH1 3.1Å
610	G	85.9	Confident	80.3	Confident	46 Å²	46	36.1 Å²	36.1	47%	0.474	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-8.4	-177.1	0	0	0	0	0	115	M612 I637	G610-M612 PolarHBondContact O-N 3.4Å; G610-I637 PolarHBondContact N-O 3.1Å
611	T	88	Confident	79.1	Confident	39 Å²	39	37.4 Å²	37.4	24%	0.239	24%	0.235	C	C	.	.			trans	-58.4	127.4	171.9	-53.6	0	0	0	0	109.6	I607 P608 E609 P636 I637	I607-T611 HydrophobicContact CG2-CG2 3.8Å; P608-T611 WeakPolarHBondContact O-CB 3.49Å; P608-T611 PolarHBondContact O-N 2.88Å; P608-T611 PolarHBondContact O-OG1 3.08Å; E609-T611 VanDerWaalsContact C-N 3.26Å; E609-T611 PolarHBondContact O-N 3.11Å; T611-P636 CarbonylContact O-C 3.5Å; T611-P636 WeakPolarHBondContact O-CA 3.31Å; T611-I637 PolarHBondContact O-N 3.43Å
612	M	87.3	Confident	77.5	Confident	89 Å²	89	42.6 Å²	42.6	44%	0.438	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.6	177.3	-64.4	-58.5	-57.7	0	0	109.6	G610 D634 P636	G610-M612 PolarHBondContact O-N 3.4Å; M612-D634 HydrophobicContact CE-CB 3.65Å; M612-P636 HydrophobicContact SD-CB 3.73Å; M612-P636 HydrophobicContact SD-CG 4.4Å
613	C	89.3	Confident	76.2	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.4	178.6	-55.3	0	0	0	0	109.7	L635 I637 L677 V678 C679	C613-L635 PolarHBondContact N-O 3.01Å; C613-L635 PolarHBondContact O-N 3.38Å; C613-L635 VanDerWaalsContact O-O 3.12Å; C613-I637 HydrophobicContact CB-CD1 4.33Å; C613-L677 HydrophobicContact CB-CD1 4.02Å; C613-L677 HydrophobicContact CB-CG 4.23Å; C613-V678 CarbonylContact C-O 3.54Å; C613-V678 WeakPolarHBondContact CA-O 3.29Å; C613-V678 WeakPolarHBondContact CB-O 3.32Å; C613-C679 HydrophobicContact CB-CB 4.06Å; C613-C679 WeakPolarHBondContact CB-SG 3.5Å; C613-C679 WeakPolarHBondContact SG-CB 3.46Å; C613-C679 CovalentContact SG-SG 2.03Å; C613-C679 PolarHBondContact SG-SG 3.25Å
614	K	88.4	Confident	74.7	Confident	63 Å²	63	47.6 Å²	47.6	27%	0.274	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.8	-177	-74.8	-178.1	-179.2	-173.5	0	111.4	D502 Y616 V633 D634 V678	D502-K614 IonicContact OD2-NZ 3.93Å; K614-Y616 HydrophobicContact CB-CD2 4.25Å; K614-Y616 HydrophobicContact CB-CE2 3.45Å; K614-Y616 VanDerWaalsContact CB-CE2 3.45Å; K614-V633 WeakPolarHBondContact CA-O 3.44Å; K614-D634 WeakPolarHBondContact CE-OD1 3.24Å; K614-D634 WeakPolarHBondContact CG-OD1 3.19Å; K614-V678 PolarHBondContact N-O 3.1Å; K614-V678 PolarHBondContact O-N 2.01Å
615	M	84.3	Confident	73.6	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.03	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.1	166.7	175.2	61.9	-170.8	0	0	109.2	A632 V633 L635 V668 D672 L677 S691 F706	M615-A632 CarbonylContact O-C 3.48Å; M615-A632 WeakPolarHBondContact O-CA 3.41Å; M615-V633 HydrophobicContact CB-CG1 3.95Å; M615-V633 PolarHBondContact N-O 3.03Å; M615-V633 PolarHBondContact O-N 2.98Å; M615-L635 HydrophobicContact CB-CD1 3.8Å; M615-L635 HydrophobicContact CB-CG 4.48Å; M615-V668 HydrophobicContact CE-CG1 4.46Å; M615-V668 HydrophobicContact CE-CG2 4.24Å; M615-V668 HydrophobicContact CG-CG2 4.08Å; M615-V668 HydrophobicContact SD-CG2 4.39Å; M615-D672 HydrophobicContact CE-CB 4.07Å; M615-L677 HydrophobicContact CB-CD1 4.2Å; M615-S691 WeakPolarHBondContact CE-OG 3.35Å; M615-F706 HydrophobicContact CG-CE1 4.47Å; M615-F706 HydrophobicContact SD-CE1 3.75Å
616	Y	85.3	Confident	72.4	Confident	6 Å²	6	50.5 Å²	50.5	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.6	-179.4	-61.5	-103.9	0	0	0	110.8	D502 W505 M506 K614 K631 A632 P676 V678	D502-Y616 WeakPolarHBondContact OD1-CE1 3.35Å; D502-Y616 PolarHBondContact OD1-OH 2.02Å; D502-Y616 PolarHBondContact OD2-OH 3.08Å; W505-Y616 HydrophobicContact CZ2-CE1 4.41Å; W505-Y616 HydrophobicContact CZ2-CE2 4.22Å; M506-Y616 WeakPolarHBondContact SD-CB 3.24Å; M506-Y616 HydrophobicContact SD-CG 4.34Å; K614-Y616 HydrophobicContact CB-CD2 4.25Å; K614-Y616 HydrophobicContact CB-CE2 3.45Å; K614-Y616 VanDerWaalsContact CB-CE2 3.45Å; Y616-K631 WeakPolarHBondContact CA-O 3.08Å; Y616-A632 HydrophobicContact CD1-CB 3.78Å; Y616-A632 HydrophobicContact CE1-CB 3.88Å; Y616-A632 HydrophobicContact CG-CB 4.32Å; Y616-P676 HydrophobicContact CD2-CG 4.47Å; Y616-P676 PolarHBondContact N-O 3.14Å; Y616-V678 HydrophobicContact CD2-CG2 4.05Å; Y616-V678 HydrophobicContact CE2-CB 3.93Å; Y616-V678 HydrophobicContact CE2-CG2 3.87Å
617	G	81.3	Confident	71.3	Confident	5 Å²	5	50.7 Å²	50.7	5%	0.052	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	174.7	176.6	0	0	0	0	0	115.2	K631 D672	G617-K631 PolarHBondContact N-O 3.21Å; G617-K631 PolarHBondContact O-N 2.79Å; G617-D672 VanDerWaalsContact CA-OD1 3.25Å; G617-D672 WeakPolarHBondContact CA-OD1 3.48Å
618	W	76.3	Confident	70.6	Confident	8 Å²	8	52.3 Å²	52.3	3%	0.03	31%	0.31	C	S	.	.			trans	-111.8	17.3	178.1	-64.3	-86.2	0	0	0	112	M506 H515 V550 S551 L553 V629 L630 D672	M506-W618 HydrophobicContact CB-CH2 3.59Å; M506-W618 HydrophobicContact CB-CZ2 4.28Å; M506-W618 HydrophobicContact CB-CZ3 4.23Å; M506-W618 HydrophobicContact CE-CE3 4.34Å; M506-W618 HydrophobicContact CE-CH2 4.26Å; M506-W618 HydrophobicContact CE-CZ3 3.8Å; H515-W618 AromaticContact CE1-CE3 3.6Å; H515-W618 AromaticContact NE2-CE3 3.95Å; V550-W618 VanDerWaalsContact O-CZ2 3.31Å; V550-W618 WeakPolarHBondContact O-CZ2 3.49Å; S551-W618 PolarHBondContact O-NE1 2.66Å; L553-W618 HydrophobicContact CD1-CB 4.09Å; L553-W618 HydrophobicContact CD1-CD2 4.1Å; L553-W618 HydrophobicContact CD1-CG 3.74Å; L553-W618 HydrophobicContact CG-CG 4.4Å; W618-V629 VanDerWaalsContact CD1-C 3.44Å; W618-L630 VanDerWaalsContact CD1-N 3.28Å; W618-L630 HydrophobicContact CD2-CD1 3.96Å; W618-L630 HydrophobicContact CE3-CD1 4.31Å; W618-L630 HydrophobicContact CH2-CD1 4.19Å; W618-L630 HydrophobicContact CZ2-CB 4.2Å; W618-L630 HydrophobicContact CZ2-CD1 3.79Å; W618-L630 HydrophobicContact CZ2-CD2 4.49Å; W618-L630 HydrophobicContact CZ2-CG 4.37Å; W618-L630 HydrophobicContact CZ3-CD1 4.42Å; W618-D672 PolarHBondContact N-OD1 3.23Å
619	G	66.5	Low	70.4	Confident	6 Å²	6	50.4 Å²	50.4	6%	0.062	30%	0.297	C	S	.	.			trans	-73.9	172.6	-174.6	0	0	0	0	0	113.8	T621 E670 D672	G619-T621 PolarHBondContact O-N 2.86Å; G619-E670 WeakPolarHBondContact CA-O 3.21Å; G619-D672 VanDerWaalsContact CA-CG 3.42Å; G619-D672 WeakPolarHBondContact CA-OD1 3.47Å; G619-D672 PolarHBondContact N-OD1 2.74Å
620	E	62.2	Low	69.9	Low	52 Å²	52	47.1 Å²	47.1	24%	0.243	28%	0.283	C	S	.	.			trans	-71.5	125.1	-168.4	-171.9	170.3	172.5	0	0	112.8	K622 H626 C669 E670	E620-K622 PolarHBondContact O-N 2.81Å; E620-H626 IonicContact OE2-CE1 3.65Å; E620-C669 WeakPolarHBondContact O-CB 3.24Å; E620-C669 PolarHBondContact O-SG 3.49Å; E620-E670 PolarHBondContact N-O 3.45Å; E620-E670 VanDerWaalsContact N-O 3.08Å
621	T	54.7	Low	69.5	Low	50 Å²	50	48.4 Å²	48.4	31%	0.307	28%	0.275	S	S	.	.			trans	-88	95.5	171	35.6	0	0	0	0	110.1	G619 G623 T624 K631	G619-T621 PolarHBondContact O-N 2.86Å; T621-G623 PolarHBondContact O-N 2.86Å; T621-G623 VanDerWaalsContact O-N 3.12Å; T621-T624 PolarHBondContact O-N 3.37Å; T621-T624 PolarHBondContact O-OG1 3.21Å; T621-T624 VanDerWaalsContact O-OG1 3.07Å; T621-K631 HydrophobicContact CG2-CD 3.94Å; T621-K631 PolarHBondContact OG1-NZ 2.8Å; T621-K631 VanDerWaalsContact OG1-NZ 3.15Å
622	K	50.5	Low	69.2	Low	110 Å²	110	49.3 Å²	49.3	48%	0.478	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	39.5	56.7	162.6	-65.7	-178.2	-171.2	161.3	0	116.1	E620 T624 N665	E620-K622 PolarHBondContact O-N 2.81Å; K622-T624 PolarHBondContact O-N 3.32Å; K622-N665 VanDerWaalsContact CE-O 3.25Å; K622-N665 WeakPolarHBondContact CE-O 3.39Å; K622-N665 PolarHBondContact NZ-O 3.31Å; K622-N665 PolarHBondContact NZ-OD1 3.44Å
623	G	43.3	Very low	68.9	Low	66 Å²	66	47 Å²	47	68%	0.68	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	16	168.7	0	0	0	0	0	115.6	T621	T621-G623 PolarHBondContact O-N 2.86Å; T621-G623 VanDerWaalsContact O-N 3.12Å
624	T	40.1	Very low	68.6	Low	120 Å²	120	50.6 Å²	50.6	74%	0.736	30%	0.297	S	S	*	.	S	Bend	trans	-98.2	14.9	171	64.5	0	0	0	0	113.1	T621 K622	T621-T624 PolarHBondContact O-N 3.37Å; T621-T624 PolarHBondContact O-OG1 3.21Å; T621-T624 VanDerWaalsContact O-OG1 3.07Å; K622-T624 PolarHBondContact O-N 3.32Å
625	G	48.2	Very low	68.4	Low	34 Å²	34	47.7 Å²	47.7	35%	0.351	28%	0.284	S	S	.	.			trans	92.3	172	-177.5	0	0	0	0	0	114.3	D627	G625-D627 PolarHBondContact O-N 2.94Å
626	H	52.6	Low	68.6	Low	86 Å²	86	48.4 Å²	48.4	40%	0.398	29%	0.289	S	S	.	.			trans	-77.3	113	176.4	-52.8	-51.8	0	0	0	109.4	E620 R671	E620-H626 IonicContact OE2-CE1 3.65Å; H626-R671 PolarHBondContact CD2-NH1 3.11Å; H626-R671 PolarHBondContact NE2-NH1 2.88Å; H626-R671 PolarHBondContact NE2-NH2 3.27Å
627	D	58.3	Low	68.9	Low	70 Å²	70	48.4 Å²	48.4	37%	0.374	29%	0.29	S	S	.	.			trans	-89.4	104.7	166.6	-122.9	-19	0	0	0	106.1	G625 V629 K631	G625-D627 PolarHBondContact O-N 2.94Å; D627-V629 PolarHBondContact O-N 3.19Å; D627-K631 WeakPolarHBondContact OD2-CE 3.41Å; D627-K631 IonicContact OD2-NZ 3.7Å; D627-K631 PolarHBondContact OD2-NZ 3.48Å
628	D	70.1	Confident	69.2	Low	56 Å²	56	48.6 Å²	48.6	30%	0.299	29%	0.29	S	S	.	.			trans	-63.4	11.8	178.2	-79.8	-27.9	0	0	0	113.4	D552 L553 R554	D552-D628 CarbonylContact C-O 3.53Å; D552-D628 WeakPolarHBondContact CA-O 3.47Å; L553-D628 HydrophobicContact CB-CB 3.93Å; L553-D628 PolarHBondContact N-O 2.8Å; R554-D628 HydrophobicContact CG-CB 3.52Å
629	V	78.8	Confident	69.8	Low	46 Å²	46	49.2 Å²	49.2	28%	0.279	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-103.5	134.3	-179	-176	0	0	0	0	110	S551 D552 W618 D627 K631	S551-V629 CarbonylContact O-C 3.49Å; S551-V629 WeakPolarHBondContact O-CA 3.38Å; D552-V629 HydrophobicContact CB-CG2 4.34Å; W618-V629 VanDerWaalsContact CD1-C 3.44Å; D627-V629 PolarHBondContact O-N 3.19Å; V629-K631 PolarHBondContact O-N 2.87Å
630	L	76.4	Confident	70.7	Confident	31 Å²	31	50.5 Å²	50.5	16%	0.162	30%	0.304	C	S	.	.			trans	-62.6	126.6	180	-178.1	66.4	0	0	0	110.1	M506 S551 W618	M506-L630 HydrophobicContact CB-CD1 4.39Å; M506-L630 HydrophobicContact CB-CD2 4.27Å; M506-L630 HydrophobicContact CE-CD1 3.96Å; M506-L630 HydrophobicContact CG-CD1 3.92Å; M506-L630 HydrophobicContact CG-CD2 3.88Å; S551-L630 WeakPolarHBondContact O-CB 3.17Å; S551-L630 PolarHBondContact O-N 2.98Å; W618-L630 VanDerWaalsContact CD1-N 3.28Å; W618-L630 HydrophobicContact CD2-CD1 3.96Å; W618-L630 HydrophobicContact CE3-CD1 4.31Å; W618-L630 HydrophobicContact CH2-CD1 4.19Å; W618-L630 HydrophobicContact CZ2-CB 4.2Å; W618-L630 HydrophobicContact CZ2-CD1 3.79Å; W618-L630 HydrophobicContact CZ2-CD2 4.49Å; W618-L630 HydrophobicContact CZ2-CG 4.37Å; W618-L630 HydrophobicContact CZ3-CD1 4.42Å
631	K	78.9	Confident	71.9	Confident	72 Å²	72	53.2 Å²	53.2	31%	0.313	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	158.3	177.7	-66.4	176.3	-173.7	-179.3	0	110.4	Y616 G617 T621 D627 V629	Y616-K631 WeakPolarHBondContact CA-O 3.08Å; G617-K631 PolarHBondContact N-O 3.21Å; G617-K631 PolarHBondContact O-N 2.79Å; T621-K631 HydrophobicContact CG2-CD 3.94Å; T621-K631 PolarHBondContact OG1-NZ 2.8Å; T621-K631 VanDerWaalsContact OG1-NZ 3.15Å; D627-K631 WeakPolarHBondContact OD2-CE 3.41Å; D627-K631 IonicContact OD2-NZ 3.7Å; D627-K631 PolarHBondContact OD2-NZ 3.48Å; V629-K631 PolarHBondContact O-N 2.87Å
632	A	81.8	Confident	73.4	Confident	58 Å²	58	57.2 Å²	57.2	48%	0.479	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.9	171.3	0	0	0	0	0	111	M615 Y616	M615-A632 CarbonylContact O-C 3.48Å; M615-A632 WeakPolarHBondContact O-CA 3.41Å; Y616-A632 HydrophobicContact CD1-CB 3.78Å; Y616-A632 HydrophobicContact CE1-CB 3.88Å; Y616-A632 HydrophobicContact CG-CB 4.32Å
633	V	80.4	Confident	75.1	Confident	40 Å²	40	52 Å²	52	24%	0.242	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.2	175.8	62.6	0	0	0	0	110.7	K614 M615 L635 E666	K614-V633 WeakPolarHBondContact CA-O 3.44Å; M615-V633 HydrophobicContact CB-CG1 3.95Å; M615-V633 PolarHBondContact N-O 3.03Å; M615-V633 PolarHBondContact O-N 2.98Å; V633-L635 HydrophobicContact CG1-CD1 4.37Å; V633-L635 HydrophobicContact CG1-CD2 4.18Å; V633-L635 HydrophobicContact CG1-CG 4.13Å; V633-L635 HydrophobicContact CG2-CD2 4.18Å; V633-E666 HydrophobicContact CG2-CB 4.07Å; V633-E666 HydrophobicContact CG2-CG 4.12Å
634	D	82.4	Confident	77.1	Confident	78 Å²	78	53.7 Å²	53.7	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.8	176.5	-70.6	-62.4	0	0	0	110.6	M612 K614	M612-D634 HydrophobicContact CE-CB 3.65Å; K614-D634 WeakPolarHBondContact CE-OD1 3.24Å; K614-D634 WeakPolarHBondContact CG-OD1 3.19Å
635	L	83.9	Confident	79.3	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.4	-179.3	-59.1	179	0	0	0	109.9	C613 M615 V633 A660 E666 L677 F706	C613-L635 PolarHBondContact N-O 3.01Å; C613-L635 PolarHBondContact O-N 3.38Å; C613-L635 VanDerWaalsContact O-O 3.12Å; M615-L635 HydrophobicContact CB-CD1 3.8Å; M615-L635 HydrophobicContact CB-CG 4.48Å; V633-L635 HydrophobicContact CG1-CD1 4.37Å; V633-L635 HydrophobicContact CG1-CD2 4.18Å; V633-L635 HydrophobicContact CG1-CG 4.13Å; V633-L635 HydrophobicContact CG2-CD2 4.18Å; L635-A660 HydrophobicContact CB-CB 3.82Å; L635-A660 HydrophobicContact CD1-CB 4.4Å; L635-E666 HydrophobicContact CD2-CB 4.28Å; L635-L677 HydrophobicContact CB-CD1 4.49Å; L635-L677 HydrophobicContact CD1-CD1 4.36Å; L635-F706 HydrophobicContact CD1-CE2 4.44Å; L635-F706 HydrophobicContact CD1-CZ 3.93Å
636	P	88.9	Confident	80.9	Confident	22 Å²	22	55.8 Å²	55.8	14%	0.143	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.2	171.2	27.1	-33.5	0	0	0	110.3	T611 M612 V638 A660 G661	T611-P636 CarbonylContact O-C 3.5Å; T611-P636 WeakPolarHBondContact O-CA 3.31Å; M612-P636 HydrophobicContact SD-CB 3.73Å; M612-P636 HydrophobicContact SD-CG 4.4Å; P636-V638 PolarHBondContact O-N 2.93Å; P636-A660 CarbonylContact O-C 3.52Å; P636-A660 WeakPolarHBondContact O-CA 3.34Å; P636-G661 PolarHBondContact O-N 3.22Å
637	I	90.8	Very high	82.2	Confident	6 Å²	6	52.2 Å²	52.2	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	134.1	169.5	-64.4	-53.9	0	0	0	109.7	I607 G610 T611 C613 I658 A660 L677	I607-I637 HydrophobicContact CB-CG1 4.38Å; I607-I637 HydrophobicContact CG2-CB 4.42Å; I607-I637 HydrophobicContact CG2-CG1 3.7Å; G610-I637 PolarHBondContact N-O 3.1Å; T611-I637 PolarHBondContact O-N 3.43Å; C613-I637 HydrophobicContact CB-CD1 4.33Å; I637-I658 HydrophobicContact CD1-CD1 3.96Å; I637-I658 HydrophobicContact CD1-CG1 4.38Å; I637-I658 HydrophobicContact CG2-CD1 4.45Å; I637-A660 HydrophobicContact CD1-CB 3.98Å; I637-L677 HydrophobicContact CD1-CD2 3.95Å
638	V	89.3	Confident	83.2	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.055	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.3	177	-177	0	0	0	0	108.3	P636 R642 C643 M646 C659 G661 P703	P636-V638 PolarHBondContact O-N 2.93Å; V638-R642 HydrophobicContact CG1-CB 4.04Å; V638-R642 HydrophobicContact CG1-CG 4.02Å; V638-C643 HydrophobicContact CG1-CB 4.15Å; V638-M646 HydrophobicContact CG1-SD 4.24Å; V638-C659 HydrophobicContact CB-CB 4.08Å; V638-C659 PolarHBondContact N-O 2.86Å; V638-G661 WeakPolarHBondContact CG2-O 3.42Å; V638-P703 HydrophobicContact CB-CB 4.37Å; V638-P703 HydrophobicContact CG1-CG 4.41Å; V638-P703 HydrophobicContact CG2-CB 3.98Å
639	G	87.1	Confident	83.1	Confident	20 Å²	20	58.8 Å²	58.8	21%	0.206	30%	0.299	C	S	.	.			trans	-58.3	149.5	176.4	0	0	0	0	0	112	E609 D641 R642 C643	E609-G639 PolarHBondContact OE2-N 3.07Å; G639-D641 VanDerWaalsContact C-N 3.31Å; G639-D641 PolarHBondContact O-N 3.49Å; G639-R642 PolarHBondContact O-N 3.44Å; G639-C643 VanDerWaalsContact O-CB 3.31Å; G639-C643 WeakPolarHBondContact O-CB 3.28Å; G639-C643 PolarHBondContact O-N 2.86Å
640	N	86.9	Confident	82.7	Confident	34 Å²	34	62.7 Å²	62.7	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-36.9	-173.8	-81.6	-4.1	0	0	0	113.4	C643 R644 I653 T654 K657	N640-C643 PolarHBondContact O-N 3.16Å; N640-R644 WeakPolarHBondContact O-CB 3.22Å; N640-R644 PolarHBondContact O-N 3.04Å; N640-I653 HydrophobicContact CB-CG2 3.97Å; N640-T654 PolarHBondContact ND2-O 3.31Å; N640-K657 PolarHBondContact OD1-O 2.91Å
641	D	85.8	Confident	82.4	Confident	108 Å²	108	65.9 Å²	65.9	58%	0.578	33%	0.332	S	S	*	.	H	α-helix	trans	-68.1	-48.6	179	-62.2	-40.1	0	0	0	111.1	G639 C643 R644 E645	G639-D641 VanDerWaalsContact C-N 3.31Å; G639-D641 PolarHBondContact O-N 3.49Å; D641-C643 VanDerWaalsContact C-N 3.3Å; D641-C643 PolarHBondContact O-N 2.83Å; D641-R644 WeakPolarHBondContact O-CB 3.47Å; D641-R644 PolarHBondContact O-N 3.14Å; D641-R644 VanDerWaalsContact O-N 3.07Å; D641-R644 IonicContact OD1-NH1 3.71Å; D641-E645 PolarHBondContact O-N 3.28Å
642	R	86.6	Confident	82.2	Confident	134 Å²	134	69.7 Å²	69.7	51%	0.506	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-39.9	174.1	-172	176.4	179.7	-177.9	3.6	112.2	E609 V638 G639 R644 E645 M646	E609-R642 WeakPolarHBondContact OE1-CD 3.37Å; E609-R642 IonicContact OE1-CZ 2.89Å; E609-R642 IonicContact OE1-NE 3.46Å; E609-R642 IonicContact OE1-NH1 3.66Å; E609-R642 PolarHBondContact OE1-NH1 3.1Å; V638-R642 HydrophobicContact CG1-CB 4.04Å; V638-R642 HydrophobicContact CG1-CG 4.02Å; G639-R642 PolarHBondContact O-N 3.44Å; R642-R644 VanDerWaalsContact C-N 3.3Å; R642-R644 PolarHBondContact O-N 3.13Å; R642-E645 PolarHBondContact O-N 2.01Å; R642-M646 HydrophobicContact CG-SD 4.21Å; R642-M646 VanDerWaalsContact O-CG 3.26Å; R642-M646 WeakPolarHBondContact O-CG 3.06Å; R642-M646 PolarHBondContact O-N 3.37Å
643	C	86.7	Confident	82.1	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-41.3	175.1	-172.6	0	0	0	0	111.3	V638 G639 N640 D641 M646 H647 I653 C659 P703	V638-C643 HydrophobicContact CG1-CB 4.15Å; G639-C643 VanDerWaalsContact O-CB 3.31Å; G639-C643 WeakPolarHBondContact O-CB 3.28Å; G639-C643 PolarHBondContact O-N 2.86Å; N640-C643 PolarHBondContact O-N 3.16Å; D641-C643 VanDerWaalsContact C-N 3.3Å; D641-C643 PolarHBondContact O-N 2.83Å; C643-M646 PolarHBondContact O-N 3.27Å; C643-H647 WeakPolarHBondContact O-CB 3.49Å; C643-H647 PolarHBondContact O-CD2 2.73Å; C643-H647 PolarHBondContact O-N 3.39Å; C643-I653 HydrophobicContact CB-CD1 4.09Å; C643-I653 VanDerWaalsContact SG-CD1 3.51Å; C643-C659 HydrophobicContact CB-CB 3.54Å; C643-C659 WeakPolarHBondContact CB-SG 3.22Å; C643-C659 WeakPolarHBondContact SG-CB 3.49Å; C643-C659 CovalentContact SG-SG 2.03Å; C643-C659 PolarHBondContact SG-SG 3.02Å; C643-P703 HydrophobicContact CB-CG 4.31Å
644	R	86.4	Confident	82.1	Confident	103 Å²	103	67.3 Å²	67.3	39%	0.389	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-41.9	176.6	-167.8	-175.7	-60.6	150.3	5.4	112.1	N640 D641 R642 H647 R648 G649 I653	N640-R644 WeakPolarHBondContact O-CB 3.22Å; N640-R644 PolarHBondContact O-N 3.04Å; D641-R644 WeakPolarHBondContact O-CB 3.47Å; D641-R644 PolarHBondContact O-N 3.14Å; D641-R644 VanDerWaalsContact O-N 3.07Å; D641-R644 IonicContact OD1-NH1 3.71Å; R642-R644 VanDerWaalsContact C-N 3.3Å; R642-R644 PolarHBondContact O-N 3.13Å; R644-H647 CarbonylContact O-C 3.44Å; R644-H647 PolarHBondContact O-N 3.29Å; R644-R648 PolarHBondContact O-N 2.96Å; R644-G649 PolarHBondContact O-N 2.83Å; R644-I653 HydrophobicContact CB-CD1 4.33Å; R644-I653 PolarHBondContact NH2-O 3.08Å
645	E	85	Confident	82.1	Confident	147 Å²	147	68.9 Å²	68.9	69%	0.687	34%	0.338	S	S	*	.	H	α-helix	trans	-62.8	-47.4	175	-69.7	173.4	-178	0	0	112	D641 R642 H647 R648	D641-E645 PolarHBondContact O-N 3.28Å; R642-E645 PolarHBondContact O-N 2.01Å; E645-H647 PolarHBondContact O-N 3.15Å; E645-R648 WeakPolarHBondContact O-CA 3.14Å; E645-R648 PolarHBondContact O-N 2.96Å
646	M	83.1	Confident	82.1	Confident	50 Å²	50	70.6 Å²	70.6	25%	0.246	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-29.4	178.7	-69.6	179.2	80.8	0	0	112.5	V638 R642 C643 R648 N701 P703	V638-M646 HydrophobicContact CG1-SD 4.24Å; R642-M646 HydrophobicContact CG-SD 4.21Å; R642-M646 VanDerWaalsContact O-CG 3.26Å; R642-M646 WeakPolarHBondContact O-CG 3.06Å; R642-M646 PolarHBondContact O-N 3.37Å; C643-M646 PolarHBondContact O-N 3.27Å; M646-R648 VanDerWaalsContact C-N 3.32Å; M646-N701 WeakPolarHBondContact CE-O 3.5Å; M646-P703 HydrophobicContact CB-CG 4.47Å; M646-P703 HydrophobicContact SD-CG 4.18Å
647	H	79.3	Confident	82.1	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.056	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	9.3	173.4	-78.5	-67.3	0	0	0	114.1	C643 R644 E645 G649 N650 F651 P703	C643-H647 WeakPolarHBondContact O-CB 3.49Å; C643-H647 PolarHBondContact O-CD2 2.73Å; C643-H647 PolarHBondContact O-N 3.39Å; R644-H647 CarbonylContact O-C 3.44Å; R644-H647 PolarHBondContact O-N 3.29Å; E645-H647 PolarHBondContact O-N 3.15Å; H647-G649 PolarHBondContact O-N 2.63Å; H647-G649 VanDerWaalsContact O-N 3.16Å; H647-N650 WeakPolarHBondContact O-CB 3.03Å; H647-N650 PolarHBondContact O-N 2.92Å; H647-F651 HydrophobicContact CB-CD2 3.96Å; H647-F651 AromaticContact CG-CD2 3.88Å; H647-F651 AromaticContact ND1-CD2 3.7Å; H647-F651 AromaticContact ND1-CE2 3.82Å; H647-P703 PolarHBondContact NE2-O 2.7Å
648	R	78.7	Confident	82.1	Confident	214 Å²	214	72.9 Å²	72.9	81%	0.808	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	28.6	-179.9	-54.5	-177.6	-179	-178.1	-1	114	R644 E645 M646 N650	R644-R648 PolarHBondContact O-N 2.96Å; E645-R648 WeakPolarHBondContact O-CA 3.14Å; E645-R648 PolarHBondContact O-N 2.96Å; M646-R648 VanDerWaalsContact C-N 3.32Å; R648-N650 PolarHBondContact O-N 3.01Å
649	G	68.9	Low	82	Confident	49 Å²	49	72.5 Å²	72.5	51%	0.505	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	2.8	-177.1	0	0	0	0	0	115.5	R644 H647 F651	R644-G649 PolarHBondContact O-N 2.83Å; H647-G649 PolarHBondContact O-N 2.63Å; H647-G649 VanDerWaalsContact O-N 3.16Å; G649-F651 PolarHBondContact O-N 3.08Å
650	N	70.7	Confident	82.1	Confident	129 Å²	129	71.5 Å²	71.5	69%	0.69	35%	0.345	S	S	*	.			trans	-67.5	-17.3	-177.1	-72.3	-12.9	0	0	0	114	H647 R648	H647-N650 WeakPolarHBondContact O-CB 3.03Å; H647-N650 PolarHBondContact O-N 2.92Å; R648-N650 PolarHBondContact O-N 3.01Å
651	F	69.8	Low	82	Confident	98 Å²	98	70.2 Å²	70.2	43%	0.43	34%	0.339	S	S	.	.	S	Bend	trans	-121.1	131.3	-179.4	-65.5	-75	0	0	0	111.2	H647 G649 I653 I705	H647-F651 HydrophobicContact CB-CD2 3.96Å; H647-F651 AromaticContact CG-CD2 3.88Å; H647-F651 AromaticContact ND1-CD2 3.7Å; H647-F651 AromaticContact ND1-CE2 3.82Å; G649-F651 PolarHBondContact O-N 3.08Å; F651-I653 HydrophobicContact CB-CD1 4.38Å; F651-I653 HydrophobicContact CB-CG1 4.25Å; F651-I653 PolarHBondContact O-N 3.08Å; F651-I705 HydrophobicContact CB-CD1 4.34Å; F651-I705 HydrophobicContact CD2-CD1 4.3Å; F651-I705 HydrophobicContact CG-CD1 4.2Å
652	H	74.1	Confident	81.3	Confident	151 Å²	151	65.4 Å²	65.4	70%	0.699	32%	0.315	S	S	*	.			trans	-71.5	98.5	169.6	-163.7	-92.9	0	0	0	109.4	T654 K657	H652-T654 WeakPolarHBondContact CE1-CG2 3.06Å; H652-T654 WeakPolarHBondContact ND1-CG2 3.28Å; H652-K657 PolarHBondContact O-NZ 2.95Å
653	I	79.3	Confident	80.4	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	31%	0.313	C	S	.	.			trans	-103.7	112.7	178.3	-64.6	156.7	0	0	0	108.3	N640 C643 R644 F651	N640-I653 HydrophobicContact CB-CG2 3.97Å; C643-I653 HydrophobicContact CB-CD1 4.09Å; C643-I653 VanDerWaalsContact SG-CD1 3.51Å; R644-I653 HydrophobicContact CB-CD1 4.33Å; R644-I653 PolarHBondContact NH2-O 3.08Å; F651-I653 HydrophobicContact CB-CD1 4.38Å; F651-I653 HydrophobicContact CB-CG1 4.25Å; F651-I653 PolarHBondContact O-N 3.08Å
654	T	80.8	Confident	79.2	Confident	48 Å²	48	73.2 Å²	73.2	29%	0.294	35%	0.347	S	S	.	.			trans	-126.1	-177.8	176.4	58.1	0	0	0	0	109.7	N640 H652 T656 K657	N640-T654 PolarHBondContact ND2-O 3.31Å; H652-T654 WeakPolarHBondContact CE1-CG2 3.06Å; H652-T654 WeakPolarHBondContact ND1-CG2 3.28Å; T654-T656 PolarHBondContact O-N 3.05Å; T654-T656 PolarHBondContact OG1-OG1 2.85Å; T654-T656 VanDerWaalsContact OG1-OG1 3.05Å; T654-K657 PolarHBondContact O-N 3.47Å
655	N	82.4	Confident	78	Confident	111 Å²	111	73.1 Å²	73.1	59%	0.594	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-7.3	-178.1	-60.4	-10.3	0	0	0	114.5	N708 F711	N655-N708 PolarHBondContact O-ND2 2.83Å; N655-F711 HydrophobicContact CB-CD2 4.3Å; N655-F711 HydrophobicContact CB-CE2 4.44Å; N655-F711 WeakPolarHBondContact O-CD2 3.24Å
656	T	84	Confident	77.2	Confident	37 Å²	37	69.4 Å²	69.4	23%	0.227	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.2	171.1	58.1	0	0	0	0	113.2	T654 N708 F711 Y712	T654-T656 PolarHBondContact O-N 3.05Å; T654-T656 PolarHBondContact OG1-OG1 2.85Å; T654-T656 VanDerWaalsContact OG1-OG1 3.05Å; T656-N708 PolarHBondContact O-N 3.18Å; T656-F711 HydrophobicContact CG2-CD1 4.18Å; T656-F711 HydrophobicContact CG2-CE1 3.76Å; T656-F711 HydrophobicContact CG2-CZ 3.99Å; T656-Y712 WeakPolarHBondContact CB-OH 3.46Å
657	K	88.2	Confident	76.2	Confident	62 Å²	62	68.2 Å²	68.2	27%	0.27	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152	-179.4	-64	173.2	-179.7	173.3	0	110.5	N640 H652 T654 I705 F706	N640-K657 PolarHBondContact OD1-O 2.91Å; H652-K657 PolarHBondContact O-NZ 2.95Å; T654-K657 PolarHBondContact O-N 3.47Å; K657-I705 HydrophobicContact CB-CG2 4.2Å; K657-I705 HydrophobicContact CD-CG2 3.77Å; K657-I705 HydrophobicContact CG-CG2 4.14Å; K657-F706 CarbonylContact C-O 3.51Å; K657-F706 VanDerWaalsContact CA-O 3.27Å; K657-F706 WeakPolarHBondContact CA-O 3.36Å
658	I	90.1	Very high	75.6	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.072	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.2	171.3	-170.7	171.9	0	0	0	108.2	I637 F706 N708	I637-I658 HydrophobicContact CD1-CD1 3.96Å; I637-I658 HydrophobicContact CD1-CG1 4.38Å; I637-I658 HydrophobicContact CG2-CD1 4.45Å; I658-F706 HydrophobicContact CG2-CB 3.74Å; I658-F706 PolarHBondContact N-O 3.17Å; I658-F706 PolarHBondContact O-N 3.17Å; I658-N708 HydrophobicContact CB-CB 4.21Å; I658-N708 HydrophobicContact CG2-CB 4.41Å
659	C	89.1	Confident	74.9	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.4	179.9	-61.7	0	0	0	0	111.2	V638 C643 P703 G704	V638-C659 HydrophobicContact CB-CB 4.08Å; V638-C659 PolarHBondContact N-O 2.86Å; C643-C659 HydrophobicContact CB-CB 3.54Å; C643-C659 WeakPolarHBondContact CB-SG 3.22Å; C643-C659 WeakPolarHBondContact SG-CB 3.49Å; C643-C659 CovalentContact SG-SG 2.03Å; C643-C659 PolarHBondContact SG-SG 3.02Å; C659-P703 HydrophobicContact CB-CB 4.29Å; C659-P703 HydrophobicContact CB-CG 4.34Å; C659-G704 VanDerWaalsContact CA-O 3.28Å; C659-G704 WeakPolarHBondContact CA-O 3.33Å
660	A	88.4	Confident	74.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.3	174.1	0	0	0	0	0	111.6	L635 P636 I637 L677 G704 F706	L635-A660 HydrophobicContact CB-CB 3.82Å; L635-A660 HydrophobicContact CD1-CB 4.4Å; P636-A660 CarbonylContact O-C 3.52Å; P636-A660 WeakPolarHBondContact O-CA 3.34Å; I637-A660 HydrophobicContact CD1-CB 3.98Å; A660-L677 HydrophobicContact CB-CD1 4.28Å; A660-L677 HydrophobicContact CB-CD2 3.77Å; A660-G704 PolarHBondContact N-O 2.98Å; A660-G704 PolarHBondContact O-N 3.22Å; A660-F706 HydrophobicContact CB-CD2 4.3Å; A660-F706 HydrophobicContact CB-CE2 3.81Å
661	G	85.6	Confident	74.4	Confident	6 Å²	6	59.2 Å²	59.2	6%	0.062	29%	0.287	C	S	.	.			trans	96.8	-141.7	177.9	0	0	0	0	0	113.8	P636 V638	P636-G661 PolarHBondContact O-N 3.22Å; V638-G661 WeakPolarHBondContact CG2-O 3.42Å
662	G	70.3	Confident	74.1	Confident	8 Å²	8	55.4 Å²	55.4	8%	0.082	27%	0.271	C	S	.	.			trans	99.1	-2.6	-176.4	0	0	0	0	0	114.2	N701	G662-N701 WeakPolarHBondContact O-CA 3.18Å; G662-N701 PolarHBondContact O-N 2.9Å
663	K	68.3	Low	74.4	Confident	106 Å²	106	49.1 Å²	49.1	46%	0.461	24%	0.241	S	C	.	.	S	Bend	trans	-69.1	145.4	165.3	-71.2	179.8	-179.8	175.2	0	109.8	N665 E666	K663-N665 PolarHBondContact O-N 2.96Å; K663-E666 WeakPolarHBondContact CD-OE2 3.35Å
664	R	61	Low	74.5	Confident	191 Å²	191	49 Å²	49	72%	0.721	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	139.6	173.7	-169.9	172.6	-176.4	178.9	0.8	107.8	E666 A700	R664-E666 VanDerWaalsContact C-N 3.34Å; R664-E666 PolarHBondContact O-N 3.17Å; R664-A700 HydrophobicContact CB-CB 4.18Å; R664-A700 HydrophobicContact CG-CB 3.94Å
665	N	62	Low	74.7	Confident	101 Å²	101	46.8 Å²	46.8	54%	0.54	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	5.9	171.2	-73.6	-30.3	0	0	0	117.7	K622 K663	K622-N665 VanDerWaalsContact CE-O 3.25Å; K622-N665 WeakPolarHBondContact CE-O 3.39Å; K622-N665 PolarHBondContact NZ-O 3.31Å; K622-N665 PolarHBondContact NZ-OD1 3.44Å; K663-N665 PolarHBondContact O-N 2.96Å
666	E	66.8	Low	75.2	Confident	69 Å²	69	41.5 Å²	41.5	32%	0.322	20%	0.199	S	C	.	.			trans	-126.2	134.5	178.6	-66.8	166.9	-169.3	0	0	110.1	V633 L635 K663 R664	V633-E666 HydrophobicContact CG2-CB 4.07Å; V633-E666 HydrophobicContact CG2-CG 4.12Å; L635-E666 HydrophobicContact CD2-CB 4.28Å; K663-E666 WeakPolarHBondContact CD-OE2 3.35Å; R664-E666 VanDerWaalsContact C-N 3.34Å; R664-E666 PolarHBondContact O-N 3.17Å
667	G	62.6	Low	75.6	Confident	26 Å²	26	39.7 Å²	39.7	27%	0.268	19%	0.188	S	C	.	.			trans	162	177.7	176	0	0	0	0	0	114.7
668	V	66.7	Low	75.7	Confident	22 Å²	22	37 Å²	37	13%	0.133	18%	0.177	C	C	.	.			trans	-76.3	140.9	177.5	-178	0	0	0	0	109.9	M615 D672 F706	M615-V668 HydrophobicContact CE-CG1 4.46Å; M615-V668 HydrophobicContact CE-CG2 4.24Å; M615-V668 HydrophobicContact CG-CG2 4.08Å; M615-V668 HydrophobicContact SD-CG2 4.39Å; V668-D672 HydrophobicContact CG1-CB 3.7Å; V668-F706 HydrophobicContact CG2-CE1 3.6Å; V668-F706 HydrophobicContact CG2-CZ 3.42Å; V668-F706 VanDerWaalsContact CG2-CZ 3.42Å
669	C	64.8	Low	75.7	Confident	9 Å²	9	36.3 Å²	36.3	6%	0.061	17%	0.173	C	C	.	.			trans	-126.7	-174.6	174.9	-161.3	0	0	0	0	112.8	E620 D672 C697	E620-C669 WeakPolarHBondContact O-CB 3.24Å; E620-C669 PolarHBondContact O-SG 3.49Å; C669-D672 PolarHBondContact N-OD2 3.38Å; C669-D672 WeakPolarHBondContact O-CB 3.19Å; C669-D672 PolarHBondContact O-N 2.75Å; C669-C697 WeakPolarHBondContact CA-SG 3.26Å; C669-C697 HydrophobicContact CB-CB 3.58Å; C669-C697 WeakPolarHBondContact CB-SG 3.38Å; C669-C697 WeakPolarHBondContact SG-CB 3.22Å; C669-C697 CovalentContact SG-SG 2.02Å; C669-C697 PolarHBondContact SG-SG 2.77Å
670	E	61.6	Low	75.6	Confident	109 Å²	109	40.8 Å²	40.8	51%	0.509	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	143.9	175.8	-62.8	-169	178	0	0	110.7	G619 E620 D672 Y673	G619-E670 WeakPolarHBondContact CA-O 3.21Å; E620-E670 PolarHBondContact N-O 3.45Å; E620-E670 VanDerWaalsContact N-O 3.08Å; E670-D672 PolarHBondContact O-N 3.41Å; E670-Y673 HydrophobicContact CB-CE2 4.39Å; E670-Y673 HydrophobicContact CG-CE2 4.46Å
671	R	65.7	Low	75	Confident	75 Å²	75	43.6 Å²	43.6	28%	0.283	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	-7.2	-174	-52	-176.5	-179	176.4	4.1	116.6	H515 H626 Y673	H515-R671 PolarHBondContact NE2-O 3.21Å; H515-R671 VanDerWaalsContact NE2-O 3.15Å; H626-R671 PolarHBondContact CD2-NH1 3.11Å; H626-R671 PolarHBondContact NE2-NH1 2.88Å; H626-R671 PolarHBondContact NE2-NH2 3.27Å; R671-Y673 PolarHBondContact O-N 2.93Å
672	D	64.5	Low	74.5	Confident	18 Å²	18	45.9 Å²	45.9	10%	0.096	23%	0.233	C	C	.	.			trans	-77	-6.5	167	-69.4	-46.2	0	0	0	113.1	M615 G617 W618 G619 V668 C669 E670 G675 S691	M615-D672 HydrophobicContact CE-CB 4.07Å; G617-D672 VanDerWaalsContact CA-OD1 3.25Å; G617-D672 WeakPolarHBondContact CA-OD1 3.48Å; W618-D672 PolarHBondContact N-OD1 3.23Å; G619-D672 VanDerWaalsContact CA-CG 3.42Å; G619-D672 WeakPolarHBondContact CA-OD1 3.47Å; G619-D672 PolarHBondContact N-OD1 2.74Å; V668-D672 HydrophobicContact CG1-CB 3.7Å; C669-D672 PolarHBondContact N-OD2 3.38Å; C669-D672 WeakPolarHBondContact O-CB 3.19Å; C669-D672 PolarHBondContact O-N 2.75Å; E670-D672 PolarHBondContact O-N 3.41Å; D672-G675 PolarHBondContact O-N 3.27Å; D672-S691 PolarHBondContact O-OG 3.35Å
673	Y	79.6	Confident	74.6	Confident	18 Å²	18	53.2 Å²	53.2	7%	0.071	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	136.9	-173.8	-53	-52.2	0	0	0	112.2	C517 G518 E670 R671 G675 S691 V692 H693 G694	C517-Y673 WeakPolarHBondContact CB-O 3.34Å; G518-Y673 PolarHBondContact N-O 3.44Å; E670-Y673 HydrophobicContact CB-CE2 4.39Å; E670-Y673 HydrophobicContact CG-CE2 4.46Å; R671-Y673 PolarHBondContact O-N 2.93Å; Y673-G675 PolarHBondContact O-N 2.88Å; Y673-S691 WeakPolarHBondContact CA-OG 3.46Å; Y673-V692 VanDerWaalsContact CD1-C 3.44Å; Y673-V692 VanDerWaalsContact CD1-O 3.27Å; Y673-V692 WeakPolarHBondContact CD1-O 3.16Å; Y673-V692 WeakPolarHBondContact CE1-O 3.33Å; Y673-H693 HydrophobicContact CD1-CB 4.5Å; Y673-H693 AromaticContact CD2-CD2 3.51Å; Y673-H693 AromaticContact CD2-CE1 3.2Å; Y673-H693 WeakPolarHBondContact CD2-CE1 3.48Å; Y673-H693 AromaticContact CD2-CG 3.74Å; Y673-H693 AromaticContact CD2-ND1 3.54Å; Y673-H693 AromaticContact CD2-NE2 3.18Å; Y673-H693 WeakPolarHBondContact CD2-NE2 3.4Å; Y673-H693 VanDerWaalsContact CE1-CA 3.43Å; Y673-H693 HydrophobicContact CE1-CB 4.42Å; Y673-H693 AromaticContact CE2-CD2 3.29Å; Y673-H693 WeakPolarHBondContact CE2-CD2 3.42Å; Y673-H693 AromaticContact CE2-CE1 3.83Å; Y673-H693 AromaticContact CE2-CG 3.79Å; Y673-H693 AromaticContact CE2-NE2 3.35Å; Y673-H693 VanDerWaalsContact CE2-NE2 3.35Å; Y673-H693 WeakPolarHBondContact CE2-NE2 3.27Å; Y673-H693 AromaticContact CG-CE1 3.63Å; Y673-H693 AromaticContact CG-CG 3.91Å; Y673-H693 AromaticContact CG-ND1 3.55Å; Y673-H693 AromaticContact CZ-CD2 3.83Å; Y673-G694 PolarHBondContact OH-O 3.46Å
674	G	82.7	Confident	74.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-6.2	-172.4	0	0	0	0	0	114.8	G518 G519 T529 S691	G518-G674 CarbonylContact C-O 3.46Å; G518-G674 CarbonylContact O-C 3.55Å; G518-G674 VanDerWaalsContact O-C 3.26Å; G518-G674 WeakPolarHBondContact O-CA 3.4Å; G519-G674 WeakPolarHBondContact CA-O 3.44Å; T529-G674 WeakPolarHBondContact OG1-CA 3.46Å; G674-S691 PolarHBondContact N-O 3.13Å; G674-S691 PolarHBondContact N-OG 2.88Å
675	G	85.3	Confident	75.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-71.9	157.5	174.5	0	0	0	0	0	113.9	D672 Y673 I690 S691	D672-G675 PolarHBondContact O-N 3.27Å; Y673-G675 PolarHBondContact O-N 2.88Å; G675-I690 WeakPolarHBondContact O-CA 3.31Å; G675-S691 PolarHBondContact N-OG 3.41Å; G675-S691 PolarHBondContact O-N 3.04Å; G675-S691 PolarHBondContact O-OG 2.78Å
676	P	92.3	Very high	77.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139.4	-174.4	32.4	-31.6	0	0	0	114.1	M506 S520 Y616 V678 I687	M506-P676 HydrophobicContact CE-CG 4.42Å; M506-P676 WeakPolarHBondContact SD-CD 3.37Å; M506-P676 HydrophobicContact SD-CG 3.37Å; M506-P676 WeakPolarHBondContact SD-CG 3.44Å; S520-P676 WeakPolarHBondContact OG-CB 3.26Å; S520-P676 WeakPolarHBondContact OG-CD 3.13Å; S520-P676 WeakPolarHBondContact OG-CG 3.41Å; Y616-P676 HydrophobicContact CD2-CG 4.47Å; Y616-P676 PolarHBondContact N-O 3.14Å; P676-V678 HydrophobicContact CB-CG2 3.83Å; P676-V678 HydrophobicContact CG-CG2 4.2Å; P676-I687 HydrophobicContact CB-CD1 3.66Å; P676-I687 HydrophobicContact CB-CG1 3.95Å
677	L	91.7	Very high	78.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	116.9	156.2	-177.4	69.8	0	0	0	108.4	C613 M615 L635 I637 A660 V688 G689 F706	C613-L677 HydrophobicContact CB-CD1 4.02Å; C613-L677 HydrophobicContact CB-CG 4.23Å; M615-L677 HydrophobicContact CB-CD1 4.2Å; L635-L677 HydrophobicContact CB-CD1 4.49Å; L635-L677 HydrophobicContact CD1-CD1 4.36Å; I637-L677 HydrophobicContact CD1-CD2 3.95Å; A660-L677 HydrophobicContact CB-CD1 4.28Å; A660-L677 HydrophobicContact CB-CD2 3.77Å; L677-V688 HydrophobicContact CB-CG2 4.37Å; L677-V688 HydrophobicContact CD2-CG2 3.97Å; L677-V688 HydrophobicContact CG-CG2 3.91Å; L677-V688 WeakPolarHBondContact O-CG2 3.13Å; L677-V688 PolarHBondContact O-N 2.82Å; L677-G689 PolarHBondContact N-O 2.9Å; L677-G689 PolarHBondContact O-N 2.99Å; L677-G689 VanDerWaalsContact O-N 3.13Å; L677-F706 HydrophobicContact CB-CD1 4.01Å; L677-F706 HydrophobicContact CB-CE1 4.12Å; L677-F706 HydrophobicContact CD1-CZ 4.46Å; L677-F706 HydrophobicContact CD2-CD1 4.36Å; L677-F706 HydrophobicContact CD2-CD2 4.06Å; L677-F706 HydrophobicContact CD2-CE2 4.26Å; L677-F706 HydrophobicContact CD2-CG 4.13Å; L677-F706 HydrophobicContact CD2-CZ 4.49Å
678	V	91.6	Very high	79.7	Confident	5 Å²	5	34 Å²	34	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.6	-173.2	-177	0	0	0	0	110	W505 I598 C613 K614 Y616 P676 K685 V686	W505-V678 HydrophobicContact CZ2-CG2 4.34Å; I598-V678 HydrophobicContact CD1-CG1 4.12Å; C613-V678 CarbonylContact C-O 3.54Å; C613-V678 WeakPolarHBondContact CA-O 3.29Å; C613-V678 WeakPolarHBondContact CB-O 3.32Å; K614-V678 PolarHBondContact N-O 3.1Å; K614-V678 PolarHBondContact O-N 2.01Å; Y616-V678 HydrophobicContact CD2-CG2 4.05Å; Y616-V678 HydrophobicContact CE2-CB 3.93Å; Y616-V678 HydrophobicContact CE2-CG2 3.87Å; P676-V678 HydrophobicContact CB-CG2 3.83Å; P676-V678 HydrophobicContact CG-CG2 4.2Å; V678-K685 HydrophobicContact CG1-CB 3.78Å; V678-K685 HydrophobicContact CG1-CG 4.36Å; V678-V686 CarbonylContact C-O 3.5Å; V678-V686 VanDerWaalsContact CA-O 3.32Å; V678-V686 WeakPolarHBondContact CA-O 3.42Å; V678-V686 WeakPolarHBondContact CG1-O 3.28Å
679	C	89.8	Confident	80.9	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	149.2	169.8	-57.1	0	0	0	0	109.9	F485 I607 C613 V686 V688	F485-C679 HydrophobicContact CZ-CB 4.2Å; I607-C679 HydrophobicContact CD1-CB 4.43Å; C613-C679 HydrophobicContact CB-CB 4.06Å; C613-C679 WeakPolarHBondContact CB-SG 3.5Å; C613-C679 WeakPolarHBondContact SG-CB 3.46Å; C613-C679 CovalentContact SG-SG 2.03Å; C613-C679 PolarHBondContact SG-SG 3.25Å; C679-V686 HydrophobicContact CB-CG2 4.48Å; C679-V686 PolarHBondContact N-O 3.45Å; C679-V686 PolarHBondContact O-N 3.21Å; C679-V688 HydrophobicContact CB-CG1 3.92Å; C679-V688 HydrophobicContact CB-CG2 4.44Å; C679-V688 VanDerWaalsContact SG-CG1 3.58Å; C679-V688 WeakPolarHBondContact SG-CG2 3.42Å
680	Q	86.1	Confident	82.2	Confident	93 Å²	93	32.6 Å²	32.6	44%	0.435	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.9	-177.2	-176.3	176	-20.5	0	0	110.8	G682 L684 K685	Q680-G682 VanDerWaalsContact CG-O 3.27Å; Q680-G682 WeakPolarHBondContact CG-O 3.3Å; Q680-G682 PolarHBondContact NE2-O 2.77Å; Q680-L684 VanDerWaalsContact CA-O 3.3Å; Q680-L684 WeakPolarHBondContact CA-O 2.99Å; Q680-K685 HydrophobicContact CB-CG 4.27Å; Q680-K685 HydrophobicContact CG-CG 4.04Å
681	D	76.2	Confident	83.3	Confident	59 Å²	59	27.5 Å²	27.5	32%	0.316	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	108.6	170.8	-178.4	29.6	0	0	0	108.3	F485 H487 D683 L684	F485-D681 HydrophobicContact CB-CB 4.39Å; F485-D681 HydrophobicContact CD1-CB 3.44Å; F485-D681 VanDerWaalsContact CD1-CB 3.44Å; F485-D681 HydrophobicContact CD2-CB 3.53Å; F485-D681 HydrophobicContact CE1-CB 3.37Å; F485-D681 VanDerWaalsContact CE1-N 3.3Å; F485-D681 HydrophobicContact CE2-CB 3.5Å; F485-D681 HydrophobicContact CG-CB 3.51Å; F485-D681 HydrophobicContact CZ-CB 3.41Å; F485-D681 VanDerWaalsContact CZ-CB 3.41Å; H487-D681 IonicContact CE1-OD2 3.2Å; H487-D681 IonicContact NE2-OD2 3.41Å; H487-D681 PolarHBondContact NE2-OD2 3.18Å; D681-D683 PolarHBondContact O-N 3.45Å; D681-L684 PolarHBondContact N-O 3.4Å; D681-L684 PolarHBondContact O-N 3.39Å
682	G	75.9	Confident	84.1	Confident	55 Å²	55	25.1 Å²	25.1	57%	0.567	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	-126.3	-166.5	0	0	0	0	0	111.5	Q680	Q680-G682 VanDerWaalsContact CG-O 3.27Å; Q680-G682 WeakPolarHBondContact CG-O 3.3Å; Q680-G682 PolarHBondContact NE2-O 2.77Å
683	D	71.7	Confident	84.2	Confident	161 Å²	161	28 Å²	28	86%	0.861	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.7	177.7	-62.2	-44.1	0	0	0	113.5	D681	D681-D683 PolarHBondContact O-N 3.45Å
684	L	72.4	Confident	83.2	Confident	44 Å²	44	29.1 Å²	29.1	23%	0.23	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.6	-176.7	-64.3	174.3	0	0	0	110.6	F485 Q680 D681	F485-L684 HydrophobicContact CD1-CB 4.16Å; Q680-L684 VanDerWaalsContact CA-O 3.3Å; Q680-L684 WeakPolarHBondContact CA-O 2.99Å; D681-L684 PolarHBondContact N-O 3.4Å; D681-L684 PolarHBondContact O-N 3.39Å
685	K	84.6	Confident	81.7	Confident	45 Å²	45	40.1 Å²	40.1	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.5	173.5	-67.9	-176.6	-179.2	175.7	0	109.9	D502 W505 I598 Q599 V678 Q680	D502-K685 VanDerWaalsContact CG-NZ 3.28Å; D502-K685 IonicContact OD1-NZ 3.1Å; D502-K685 PolarHBondContact OD1-NZ 3Å; D502-K685 IonicContact OD2-NZ 2.67Å; W505-K685 HydrophobicContact CH2-CD 3.36Å; W505-K685 HydrophobicContact CZ2-CD 4.16Å; W505-K685 HydrophobicContact CZ3-CD 4.04Å; I598-K685 HydrophobicContact CD1-CB 3.69Å; I598-K685 VanDerWaalsContact CD1-O 3.29Å; I598-K685 WeakPolarHBondContact CD1-O 3.38Å; Q599-K685 WeakPolarHBondContact CB-O 3.05Å; V678-K685 HydrophobicContact CG1-CB 3.78Å; V678-K685 HydrophobicContact CG1-CG 4.36Å; Q680-K685 HydrophobicContact CB-CG 4.27Å; Q680-K685 HydrophobicContact CG-CG 4.04Å
686	V	86.8	Confident	80.2	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.3	-179.3	-61.2	0	0	0	0	110.7	F485 Q599 V678 C679 V688	F485-V686 HydrophobicContact CD1-CG1 4.04Å; F485-V686 HydrophobicContact CD1-CG2 4.06Å; F485-V686 HydrophobicContact CE1-CB 4.48Å; F485-V686 HydrophobicContact CE1-CG1 4.2Å; F485-V686 HydrophobicContact CE1-CG2 3.52Å; F485-V686 HydrophobicContact CZ-CG2 3.91Å; Q599-V686 HydrophobicContact CB-CG1 4.16Å; Q599-V686 WeakPolarHBondContact O-CA 3.43Å; V678-V686 CarbonylContact C-O 3.5Å; V678-V686 VanDerWaalsContact CA-O 3.32Å; V678-V686 WeakPolarHBondContact CA-O 3.42Å; V678-V686 WeakPolarHBondContact CG1-O 3.28Å; C679-V686 HydrophobicContact CB-CG2 4.48Å; C679-V686 PolarHBondContact N-O 3.45Å; C679-V686 PolarHBondContact O-N 3.21Å; V686-V688 HydrophobicContact CG2-CG1 3.96Å; V686-V688 PolarHBondContact O-N 2.89Å
687	I	91.9	Very high	78.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	115.7	174.9	-177.1	171.8	0	0	0	109.7	L528 I598 Q599 L600 P601 P676 I690 V709	L528-I687 HydrophobicContact CD2-CD1 3.96Å; I598-I687 HydrophobicContact CG1-CB 4.1Å; I598-I687 HydrophobicContact CG1-CG2 4.42Å; I598-I687 HydrophobicContact CG2-CB 4.19Å; I598-I687 HydrophobicContact CG2-CG2 4Å; Q599-I687 PolarHBondContact O-N 2.9Å; Q599-I687 VanDerWaalsContact O-N 3.1Å; L600-I687 HydrophobicContact CD2-CG2 3.97Å; P601-I687 WeakPolarHBondContact CD-O 3.3Å; P601-I687 VanDerWaalsContact CG-O 3.3Å; P601-I687 WeakPolarHBondContact CG-O 3.48Å; P676-I687 HydrophobicContact CB-CD1 3.66Å; P676-I687 HydrophobicContact CB-CG1 3.95Å; I687-I690 HydrophobicContact CD1-CG1 4.35Å; I687-V709 HydrophobicContact CG1-CG2 4.18Å; I687-V709 HydrophobicContact CG2-CG1 4.33Å
688	V	92.2	Very high	77	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-22.6	-178.1	-58.8	0	0	0	0	112.9	I607 L677 C679 V686 V709 P710	I607-V688 HydrophobicContact CD1-CG1 3.81Å; I607-V688 HydrophobicContact CG1-CB 4.28Å; I607-V688 HydrophobicContact CG1-CG1 3.84Å; L677-V688 HydrophobicContact CB-CG2 4.37Å; L677-V688 HydrophobicContact CD2-CG2 3.97Å; L677-V688 HydrophobicContact CG-CG2 3.91Å; L677-V688 WeakPolarHBondContact O-CG2 3.13Å; L677-V688 PolarHBondContact O-N 2.82Å; C679-V688 HydrophobicContact CB-CG1 3.92Å; C679-V688 HydrophobicContact CB-CG2 4.44Å; C679-V688 VanDerWaalsContact SG-CG1 3.58Å; C679-V688 WeakPolarHBondContact SG-CG2 3.42Å; V686-V688 HydrophobicContact CG2-CG1 3.96Å; V686-V688 PolarHBondContact O-N 2.89Å; V688-V709 PolarHBondContact O-N 2.77Å; V688-P710 WeakPolarHBondContact O-CD 3.44Å
689	G	91	Very high	75.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.6	-179.4	0	0	0	0	0	113.8	L677 I707	L677-G689 PolarHBondContact N-O 2.9Å; L677-G689 PolarHBondContact O-N 2.99Å; L677-G689 VanDerWaalsContact O-N 3.13Å; G689-I707 WeakPolarHBondContact CA-O 3.46Å
690	I	92.1	Very high	74.6	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.8	172	-57.2	165.3	0	0	0	108.2	L528 L580 G675 I687 F706 I707 V709	L528-I690 HydrophobicContact CD1-CD1 4.48Å; L528-I690 HydrophobicContact CD2-CD1 3.54Å; L528-I690 HydrophobicContact CD2-CG1 4.18Å; L528-I690 HydrophobicContact CG-CD1 3.55Å; L528-I690 HydrophobicContact CG-CG1 4.48Å; L580-I690 HydrophobicContact CD1-CD1 3.12Å; G675-I690 WeakPolarHBondContact O-CA 3.31Å; I687-I690 HydrophobicContact CD1-CG1 4.35Å; I690-F706 CarbonylContact O-C 3.18Å; I690-F706 WeakPolarHBondContact O-CA 3.49Å; I690-F706 WeakPolarHBondContact O-CB 3.2Å; I690-I707 HydrophobicContact CB-CB 4.22Å; I690-I707 HydrophobicContact CB-CD1 4.06Å; I690-I707 HydrophobicContact CD1-CD1 4.47Å; I690-I707 HydrophobicContact CG2-CD1 4.22Å; I690-I707 PolarHBondContact N-O 2.94Å; I690-I707 PolarHBondContact O-N 3.49Å; I690-V709 HydrophobicContact CD1-CG2 4.01Å; I690-V709 HydrophobicContact CG1-CG2 3.74Å
691	S	86.1	Confident	73.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.3	177.8	53.2	0	0	0	0	110.7	M615 D672 Y673 G674 G675	M615-S691 WeakPolarHBondContact CE-OG 3.35Å; D672-S691 PolarHBondContact O-OG 3.35Å; Y673-S691 WeakPolarHBondContact CA-OG 3.46Å; G674-S691 PolarHBondContact N-O 3.13Å; G674-S691 PolarHBondContact N-OG 2.88Å; G675-S691 PolarHBondContact N-OG 3.41Å; G675-S691 PolarHBondContact O-N 3.04Å; G675-S691 PolarHBondContact O-OG 2.78Å
692	V	81.3	Confident	73.8	Confident	26 Å²	26	55.3 Å²	55.3	16%	0.158	31%	0.309	C	S	.	.			trans	-114.5	158.8	175.2	-68.5	0	0	0	0	111	D530 Y673 G694 I705 I707	D530-V692 WeakPolarHBondContact OD2-CA 3.45Å; Y673-V692 VanDerWaalsContact CD1-C 3.44Å; Y673-V692 VanDerWaalsContact CD1-O 3.27Å; Y673-V692 WeakPolarHBondContact CD1-O 3.16Å; Y673-V692 WeakPolarHBondContact CE1-O 3.33Å; V692-G694 PolarHBondContact O-N 2.84Å; V692-I705 VanDerWaalsContact CG2-O 3.28Å; V692-I705 WeakPolarHBondContact CG2-O 3.31Å; V692-I707 HydrophobicContact CG1-CD1 3.48Å; V692-I707 VanDerWaalsContact CG1-CD1 3.48Å; V692-I707 HydrophobicContact CG1-CG1 3.45Å; V692-I707 VanDerWaalsContact CG1-CG1 3.45Å
693	H	66.3	Low	74.1	Confident	78 Å²	78	52.8 Å²	52.8	36%	0.361	28%	0.283	S	S	.	.			trans	-53.3	120.8	171.4	-84.4	77.6	0	0	0	111.7	D530 Y673	D530-H693 PolarHBondContact OD2-N 2.79Å; D530-H693 IonicContact OD2-ND1 2.78Å; Y673-H693 HydrophobicContact CD1-CB 4.5Å; Y673-H693 AromaticContact CD2-CD2 3.51Å; Y673-H693 AromaticContact CD2-CE1 3.2Å; Y673-H693 WeakPolarHBondContact CD2-CE1 3.48Å; Y673-H693 AromaticContact CD2-CG 3.74Å; Y673-H693 AromaticContact CD2-ND1 3.54Å; Y673-H693 AromaticContact CD2-NE2 3.18Å; Y673-H693 WeakPolarHBondContact CD2-NE2 3.4Å; Y673-H693 VanDerWaalsContact CE1-CA 3.43Å; Y673-H693 HydrophobicContact CE1-CB 4.42Å; Y673-H693 AromaticContact CE2-CD2 3.29Å; Y673-H693 WeakPolarHBondContact CE2-CD2 3.42Å; Y673-H693 AromaticContact CE2-CE1 3.83Å; Y673-H693 AromaticContact CE2-CG 3.79Å; Y673-H693 AromaticContact CE2-NE2 3.35Å; Y673-H693 VanDerWaalsContact CE2-NE2 3.35Å; Y673-H693 WeakPolarHBondContact CE2-NE2 3.27Å; Y673-H693 AromaticContact CG-CE1 3.63Å; Y673-H693 AromaticContact CG-CG 3.91Å; Y673-H693 AromaticContact CG-ND1 3.55Å; Y673-H693 AromaticContact CZ-CD2 3.83Å
694	G	58.9	Low	74.5	Confident	41 Å²	41	46.2 Å²	46.2	42%	0.423	25%	0.253	S	S	.	.			trans	-125.9	144.7	178.9	0	0	0	0	0	110.9	Y673 V692 G696	Y673-G694 PolarHBondContact OH-O 3.46Å; V692-G694 PolarHBondContact O-N 2.84Å; G694-G696 VanDerWaalsContact C-N 3.34Å; G694-G696 PolarHBondContact O-N 2.08Å
695	R	51	Low	75.1	Confident	231 Å²	231	45.7 Å²	45.7	87%	0.872	25%	0.25	S	C	*	.	S	Bend	trans	-75.5	85.5	175.6	-70.9	-175.7	179.8	176.3	-0.1	110.1	R699	R695-R699 PolarHBondContact O-NE 3.01Å; R695-R699 PolarHBondContact O-NH1 2.97Å; R695-R699 PolarHBondContact O-NH2 3.27Å; R695-R699 VanDerWaalsContact O-NH2 3.09Å
696	G	54	Low	75.4	Confident	44 Å²	44	43.6 Å²	43.6	45%	0.454	24%	0.241	S	C	.	.	S	Bend	trans	106.6	146.1	170.3	0	0	0	0	0	114.7	G694	G694-G696 VanDerWaalsContact C-N 3.34Å; G694-G696 PolarHBondContact O-N 2.08Å
697	C	58.6	Low	75.5	Confident	45 Å²	45	43.9 Å²	43.9	30%	0.304	24%	0.242	S	C	.	.	S	Bend	trans	-88.2	137.6	-174.4	-54.9	0	0	0	0	112.9	C669 R699	C669-C697 WeakPolarHBondContact CA-SG 3.26Å; C669-C697 HydrophobicContact CB-CB 3.58Å; C669-C697 WeakPolarHBondContact CB-SG 3.38Å; C669-C697 WeakPolarHBondContact SG-CB 3.22Å; C669-C697 CovalentContact SG-SG 2.02Å; C669-C697 PolarHBondContact SG-SG 2.77Å; C697-R699 VanDerWaalsContact C-N 3.28Å; C697-R699 PolarHBondContact O-N 2.85Å
698	A	58.7	Low	75.5	Confident	24 Å²	24	45 Å²	45	20%	0.198	25%	0.248	C	C	.	.	S	Bend	trans	43.5	45.2	164.3	0	0	0	0	0	115.7	A700	A698-A700 PolarHBondContact O-N 2.89Å
699	R	64.6	Low	75.4	Confident	135 Å²	135	45 Å²	45	51%	0.509	25%	0.248	S	C	.	.			trans	-66.5	131.3	-180	-72.7	-178.8	175.9	177.3	1.1	110.5	R695 C697 N701 Q702	R695-R699 PolarHBondContact O-NE 3.01Å; R695-R699 PolarHBondContact O-NH1 2.97Å; R695-R699 PolarHBondContact O-NH2 3.27Å; R695-R699 VanDerWaalsContact O-NH2 3.09Å; C697-R699 VanDerWaalsContact C-N 3.28Å; C697-R699 PolarHBondContact O-N 2.85Å; R699-N701 PolarHBondContact O-N 2.91Å; R699-Q702 HydrophobicContact CB-CB 4Å; R699-Q702 HydrophobicContact CB-CG 4.42Å; R699-Q702 PolarHBondContact O-N 2.9Å; R699-Q702 VanDerWaalsContact O-N 3.17Å
700	A	65.6	Low	75.2	Confident	51 Å²	51	45.1 Å²	45.1	42%	0.421	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	136.9	178.5	0	0	0	0	0	110.6	R664 A698 Q702	R664-A700 HydrophobicContact CB-CB 4.18Å; R664-A700 HydrophobicContact CG-CB 3.94Å; A698-A700 PolarHBondContact O-N 2.89Å; A700-Q702 PolarHBondContact O-N 3.23Å
701	N	69.6	Low	74.9	Confident	114 Å²	114	47.6 Å²	47.6	61%	0.61	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	20.9	-178	-58.1	-20	0	0	0	114.8	M646 G662 R699	M646-N701 WeakPolarHBondContact CE-O 3.5Å; G662-N701 WeakPolarHBondContact O-CA 3.18Å; G662-N701 PolarHBondContact O-N 2.9Å; R699-N701 PolarHBondContact O-N 2.91Å
702	Q	76.2	Confident	74.9	Confident	63 Å²	63	47.9 Å²	47.9	29%	0.294	26%	0.261	S	S	.	.			trans	-126	106.1	171.1	-71.3	-172.5	-8.3	0	0	109.3	R699 A700	R699-Q702 HydrophobicContact CB-CB 4Å; R699-Q702 HydrophobicContact CB-CG 4.42Å; R699-Q702 PolarHBondContact O-N 2.9Å; R699-Q702 VanDerWaalsContact O-N 3.17Å; A700-Q702 PolarHBondContact O-N 3.23Å
703	P	82.2	Confident	74.9	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.019	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.6	147.8	177.7	29.4	-34.7	0	0	0	110.6	V638 C643 M646 H647 C659	V638-P703 HydrophobicContact CB-CB 4.37Å; V638-P703 HydrophobicContact CG1-CG 4.41Å; V638-P703 HydrophobicContact CG2-CB 3.98Å; C643-P703 HydrophobicContact CB-CG 4.31Å; M646-P703 HydrophobicContact CB-CG 4.47Å; M646-P703 HydrophobicContact SD-CG 4.18Å; H647-P703 PolarHBondContact NE2-O 2.7Å; C659-P703 HydrophobicContact CB-CB 4.29Å; C659-P703 HydrophobicContact CB-CG 4.34Å
704	G	80.7	Confident	75.4	Confident	23 Å²	23	47.1 Å²	47.1	24%	0.237	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	141	173.1	0	0	0	0	0	110.4	C659 A660 F706	C659-G704 VanDerWaalsContact CA-O 3.28Å; C659-G704 WeakPolarHBondContact CA-O 3.33Å; A660-G704 PolarHBondContact N-O 2.98Å; A660-G704 PolarHBondContact O-N 3.22Å; G704-F706 WeakPolarHBondContact O-CD2 3.41Å; G704-F706 WeakPolarHBondContact O-CE2 3.35Å
705	I	86	Confident	76.6	Confident	32 Å²	32	45.2 Å²	45.2	16%	0.164	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130	176.8	-59.7	175.3	0	0	0	107.5	F651 K657 V692	F651-I705 HydrophobicContact CB-CD1 4.34Å; F651-I705 HydrophobicContact CD2-CD1 4.3Å; F651-I705 HydrophobicContact CG-CD1 4.2Å; K657-I705 HydrophobicContact CB-CG2 4.2Å; K657-I705 HydrophobicContact CD-CG2 3.77Å; K657-I705 HydrophobicContact CG-CG2 4.14Å; V692-I705 VanDerWaalsContact CG2-O 3.28Å; V692-I705 WeakPolarHBondContact CG2-O 3.31Å
706	F	88.9	Confident	78.1	Confident	1 Å²	1	34.2 Å²	34.2	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	156.1	-179.8	-58.2	-99.7	0	0	0	109.8	M615 L635 K657 I658 A660 V668 L677 I690 G704	M615-F706 HydrophobicContact CG-CE1 4.47Å; M615-F706 HydrophobicContact SD-CE1 3.75Å; L635-F706 HydrophobicContact CD1-CE2 4.44Å; L635-F706 HydrophobicContact CD1-CZ 3.93Å; K657-F706 CarbonylContact C-O 3.51Å; K657-F706 VanDerWaalsContact CA-O 3.27Å; K657-F706 WeakPolarHBondContact CA-O 3.36Å; I658-F706 HydrophobicContact CG2-CB 3.74Å; I658-F706 PolarHBondContact N-O 3.17Å; I658-F706 PolarHBondContact O-N 3.17Å; A660-F706 HydrophobicContact CB-CD2 4.3Å; A660-F706 HydrophobicContact CB-CE2 3.81Å; V668-F706 HydrophobicContact CG2-CE1 3.6Å; V668-F706 HydrophobicContact CG2-CZ 3.42Å; V668-F706 VanDerWaalsContact CG2-CZ 3.42Å; L677-F706 HydrophobicContact CB-CD1 4.01Å; L677-F706 HydrophobicContact CB-CE1 4.12Å; L677-F706 HydrophobicContact CD1-CZ 4.46Å; L677-F706 HydrophobicContact CD2-CD1 4.36Å; L677-F706 HydrophobicContact CD2-CD2 4.06Å; L677-F706 HydrophobicContact CD2-CE2 4.26Å; L677-F706 HydrophobicContact CD2-CG 4.13Å; L677-F706 HydrophobicContact CD2-CZ 4.49Å; I690-F706 CarbonylContact O-C 3.18Å; I690-F706 WeakPolarHBondContact O-CA 3.49Å; I690-F706 WeakPolarHBondContact O-CB 3.2Å; G704-F706 WeakPolarHBondContact O-CD2 3.41Å; G704-F706 WeakPolarHBondContact O-CE2 3.35Å
707	I	90.7	Very high	79.3	Confident	8 Å²	8	37 Å²	37	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	130.2	167	-63.6	154.6	0	0	0	108	S579 L580 G689 I690 V692 V709 Y712	S579-I707 VanDerWaalsContact O-CD1 3.25Å; S579-I707 WeakPolarHBondContact O-CD1 3.25Å; L580-I707 HydrophobicContact CB-CD1 4.48Å; L580-I707 HydrophobicContact CB-CG2 4.3Å; L580-I707 HydrophobicContact CD1-CG2 4.33Å; G689-I707 WeakPolarHBondContact CA-O 3.46Å; I690-I707 HydrophobicContact CB-CB 4.22Å; I690-I707 HydrophobicContact CB-CD1 4.06Å; I690-I707 HydrophobicContact CD1-CD1 4.47Å; I690-I707 HydrophobicContact CG2-CD1 4.22Å; I690-I707 PolarHBondContact N-O 2.94Å; I690-I707 PolarHBondContact O-N 3.49Å; V692-I707 HydrophobicContact CG1-CD1 3.48Å; V692-I707 VanDerWaalsContact CG1-CD1 3.48Å; V692-I707 HydrophobicContact CG1-CG1 3.45Å; V692-I707 VanDerWaalsContact CG1-CG1 3.45Å; I707-V709 PolarHBondContact O-N 3.07Å; I707-V709 VanDerWaalsContact O-N 3.16Å; I707-Y712 HydrophobicContact CG2-CD2 3.61Å; I707-Y712 HydrophobicContact CG2-CE2 3.53Å
708	N	91.4	Very high	80.1	Confident	25 Å²	25	35 Å²	35	13%	0.134	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	97.6	178.2	-175.1	-2.1	0	0	0	111.1	N655 T656 I658 P710 F711 Y712	N655-N708 PolarHBondContact O-ND2 2.83Å; T656-N708 PolarHBondContact O-N 3.18Å; I658-N708 HydrophobicContact CB-CB 4.21Å; I658-N708 HydrophobicContact CG2-CB 4.41Å; N708-P710 WeakPolarHBondContact OD1-CD 3.42Å; N708-P710 WeakPolarHBondContact OD1-CG 3.39Å; N708-F711 HydrophobicContact CB-CB 3.98Å; N708-F711 VanDerWaalsContact O-CB 3.26Å; N708-F711 WeakPolarHBondContact O-CB 3.37Å; N708-F711 PolarHBondContact O-N 2.89Å; N708-F711 VanDerWaalsContact O-N 3.08Å; N708-Y712 VanDerWaalsContact O-CD2 3.22Å; N708-Y712 WeakPolarHBondContact O-CD2 3.22Å; N708-Y712 PolarHBondContact O-N 3.47Å
709	V	89.9	Confident	81.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-43.5	-177.5	178.9	0	0	0	0	113.1	L528 L600 P601 I687 V688 I690 I707 F711 Y712 T713 I716	L528-V709 HydrophobicContact CD2-CG1 4.25Å; L528-V709 HydrophobicContact CD2-CG2 4.21Å; L600-V709 HydrophobicContact CD2-CG1 4.28Å; P601-V709 HydrophobicContact CG-CB 4.47Å; P601-V709 HydrophobicContact CG-CG1 4.01Å; I687-V709 HydrophobicContact CG1-CG2 4.18Å; I687-V709 HydrophobicContact CG2-CG1 4.33Å; V688-V709 PolarHBondContact O-N 2.77Å; I690-V709 HydrophobicContact CD1-CG2 4.01Å; I690-V709 HydrophobicContact CG1-CG2 3.74Å; I707-V709 PolarHBondContact O-N 3.07Å; I707-V709 VanDerWaalsContact O-N 3.16Å; V709-F711 PolarHBondContact O-N 3.12Å; V709-F711 VanDerWaalsContact O-N 3.09Å; V709-Y712 CarbonylContact O-C 3.48Å; V709-Y712 WeakPolarHBondContact O-CA 3.4Å; V709-Y712 PolarHBondContact O-N 2.84Å; V709-T713 PolarHBondContact O-N 2.85Å; V709-T713 PolarHBondContact O-OG1 3.41Å; V709-T713 VanDerWaalsContact O-OG1 3.11Å; V709-I716 HydrophobicContact CG1-CD1 4.05Å
710	P	86.3	Confident	81.9	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-49.2	-34.4	170.9	-31	32.7	0	0	0	114.4	P601 G604 C605 V688 N708	P601-P710 HydrophobicContact CB-CG 4.05Å; P601-P710 HydrophobicContact CG-CB 4.31Å; P601-P710 HydrophobicContact CG-CG 3.75Å; G604-P710 PolarHBondContact N-O 3.03Å; C605-P710 WeakPolarHBondContact O-CB 3.39Å; V688-P710 WeakPolarHBondContact O-CD 3.44Å; N708-P710 WeakPolarHBondContact OD1-CD 3.42Å; N708-P710 WeakPolarHBondContact OD1-CG 3.39Å
711	F	85.7	Confident	82.2	Confident	54 Å²	54	32 Å²	32	24%	0.237	15%	0.151	C	C	.	.	H	α-helix	trans	-68.2	-35.7	174.4	-172	-88.5	0	0	0	111.6	K444 H445 N655 T656 N708 V709	K444-F711 WeakPolarHBondContact CE-O 3.31Å; K444-F711 PolarHBondContact NZ-O 2.74Å; H445-F711 AromaticContact NE2-CD1 3.97Å; H445-F711 AromaticContact NE2-CE1 3.6Å; N655-F711 HydrophobicContact CB-CD2 4.3Å; N655-F711 HydrophobicContact CB-CE2 4.44Å; N655-F711 WeakPolarHBondContact O-CD2 3.24Å; T656-F711 HydrophobicContact CG2-CD1 4.18Å; T656-F711 HydrophobicContact CG2-CE1 3.76Å; T656-F711 HydrophobicContact CG2-CZ 3.99Å; N708-F711 HydrophobicContact CB-CB 3.98Å; N708-F711 VanDerWaalsContact O-CB 3.26Å; N708-F711 WeakPolarHBondContact O-CB 3.37Å; N708-F711 PolarHBondContact O-N 2.89Å; N708-F711 VanDerWaalsContact O-N 3.08Å; V709-F711 PolarHBondContact O-N 3.12Å; V709-F711 VanDerWaalsContact O-N 3.09Å
712	Y	86.8	Confident	82.1	Confident	6 Å²	6	27.2 Å²	27.2	2%	0.024	12%	0.124	C	C	.	.	H	α-helix	trans	-97.6	-1.1	-177.2	-62.3	-75.9	0	0	0	115.3	H445 P575 S578 L580 T656 I707 N708 V709 Q714 W715 I716	H445-Y712 AromaticContact NE2-CD1 3.46Å; H445-Y712 WeakPolarHBondContact NE2-CD1 3.44Å; H445-Y712 AromaticContact NE2-CE1 3.77Å; P575-Y712 HydrophobicContact CB-CE1 4.43Å; P575-Y712 HydrophobicContact CG-CD1 4.01Å; P575-Y712 HydrophobicContact CG-CE1 4.09Å; S578-Y712 VanDerWaalsContact CB-CZ 3.48Å; S578-Y712 VanDerWaalsContact CB-OH 3.23Å; S578-Y712 WeakPolarHBondContact CB-OH 3.44Å; L580-Y712 HydrophobicContact CD2-CD1 4.17Å; L580-Y712 HydrophobicContact CD2-CD2 4.02Å; L580-Y712 HydrophobicContact CD2-CG 3.58Å; T656-Y712 WeakPolarHBondContact CB-OH 3.46Å; I707-Y712 HydrophobicContact CG2-CD2 3.61Å; I707-Y712 HydrophobicContact CG2-CE2 3.53Å; N708-Y712 VanDerWaalsContact O-CD2 3.22Å; N708-Y712 WeakPolarHBondContact O-CD2 3.22Å; N708-Y712 PolarHBondContact O-N 3.47Å; V709-Y712 CarbonylContact O-C 3.48Å; V709-Y712 WeakPolarHBondContact O-CA 3.4Å; V709-Y712 PolarHBondContact O-N 2.84Å; Y712-Q714 VanDerWaalsContact C-N 3.29Å; Y712-Q714 PolarHBondContact O-N 2.87Å; Y712-Q714 VanDerWaalsContact O-N 3.14Å; Y712-W715 WeakPolarHBondContact O-CA 3.36Å; Y712-W715 WeakPolarHBondContact O-CB 3.27Å; Y712-W715 PolarHBondContact O-N 3.24Å; Y712-I716 PolarHBondContact O-N 2.72Å
713	T	81.3	Confident	81.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-53	-39.9	-175.7	-53.1	0	0	0	0	114.2	L600 P601 A603 V709 W715 I716 Y717	L600-T713 HydrophobicContact CB-CG2 4.47Å; P601-T713 WeakPolarHBondContact O-CG2 3.46Å; P601-T713 PolarHBondContact O-OG1 2.83Å; A603-T713 HydrophobicContact CB-CG2 4.29Å; V709-T713 PolarHBondContact O-N 2.85Å; V709-T713 PolarHBondContact O-OG1 3.41Å; V709-T713 VanDerWaalsContact O-OG1 3.11Å; T713-W715 PolarHBondContact O-N 3.48Å; T713-I716 PolarHBondContact O-N 3.35Å; T713-Y717 HydrophobicContact CG2-CD2 3.61Å; T713-Y717 HydrophobicContact CG2-CE2 3.26Å; T713-Y717 VanDerWaalsContact O-CD2 3.25Å; T713-Y717 WeakPolarHBondContact O-CD2 3.32Å; T713-Y717 PolarHBondContact O-N 3.06Å
714	Q	75.2	Confident	80.5	Confident	89 Å²	89	26.5 Å²	26.5	42%	0.416	13%	0.125	S	C	.	.	H	α-helix	trans	-61.1	-42.8	176.5	-81.8	170.4	-21	0	0	112.4	A603 Y712 Y717 K718	A603-Q714 HydrophobicContact CB-CG 3.79Å; Y712-Q714 VanDerWaalsContact C-N 3.29Å; Y712-Q714 PolarHBondContact O-N 2.87Å; Y712-Q714 VanDerWaalsContact O-N 3.14Å; Q714-Y717 PolarHBondContact O-N 2.64Å; Q714-K718 WeakPolarHBondContact O-CB 3.26Å; Q714-K718 PolarHBondContact O-N 3.15Å
715	W	85.4	Confident	79.3	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-41.6	175	169.3	72.3	0	0	0	111.4	W458 Y460 I572 C573 P575 L580 L582 Y712 T713 Y717 K718 V719	W458-W715 AromaticContact CH2-CD1 3.74Å; W458-W715 AromaticContact CH2-NE1 3.57Å; Y460-W715 AromaticContact CE2-CD1 3.49Å; Y460-W715 VanDerWaalsContact CE2-CD1 3.49Å; Y460-W715 AromaticContact CE2-NE1 3.66Å; Y460-W715 AromaticContact CZ-CD1 3.7Å; I572-W715 HydrophobicContact CG2-CZ2 4.05Å; C573-W715 WeakPolarHBondContact O-CZ2 3.39Å; P575-W715 HydrophobicContact CG-CB 4.32Å; P575-W715 HydrophobicContact CG-CD2 4.46Å; P575-W715 HydrophobicContact CG-CG 3.99Å; L580-W715 HydrophobicContact CD2-CE3 3.44Å; L580-W715 VanDerWaalsContact CD2-CE3 3.44Å; L580-W715 HydrophobicContact CD2-CH2 4.35Å; L580-W715 HydrophobicContact CD2-CZ3 3.3Å; L580-W715 HydrophobicContact CG-CE3 4.27Å; L580-W715 HydrophobicContact CG-CH2 4.33Å; L580-W715 HydrophobicContact CG-CZ3 3.64Å; L582-W715 HydrophobicContact CB-CH2 4.14Å; L582-W715 HydrophobicContact CD1-CE3 4.43Å; L582-W715 HydrophobicContact CD1-CH2 3.76Å; L582-W715 HydrophobicContact CD1-CZ3 3.66Å; L582-W715 HydrophobicContact CG-CH2 4.01Å; L582-W715 HydrophobicContact CG-CZ3 4.02Å; Y712-W715 WeakPolarHBondContact O-CA 3.36Å; Y712-W715 WeakPolarHBondContact O-CB 3.27Å; Y712-W715 PolarHBondContact O-N 3.24Å; T713-W715 PolarHBondContact O-N 3.48Å; W715-Y717 PolarHBondContact O-N 3.26Å; W715-K718 VanDerWaalsContact O-CB 3.31Å; W715-K718 WeakPolarHBondContact O-CB 3.28Å; W715-K718 PolarHBondContact O-N 2.82Å; W715-K718 VanDerWaalsContact O-N 3.15Å; W715-V719 HydrophobicContact CD2-CG2 4.14Å; W715-V719 HydrophobicContact CH2-CG2 4.2Å; W715-V719 HydrophobicContact CZ2-CG2 3.62Å; W715-V719 WeakPolarHBondContact O-CG2 3.49Å; W715-V719 PolarHBondContact O-N 2.85Å
716	I	82.7	Confident	77	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-47.8	177.4	-63.6	172.5	0	0	0	110.7	L528 L580 L582 L600 V709 Y712 T713 K718 V719 F720	L528-I716 HydrophobicContact CD1-CD1 3.87Å; L528-I716 HydrophobicContact CD1-CG1 4.24Å; L528-I716 HydrophobicContact CD2-CD1 4.06Å; L580-I716 HydrophobicContact CD2-CG1 4.48Å; L582-I716 HydrophobicContact CD1-CB 4.39Å; L582-I716 HydrophobicContact CD1-CG1 4.33Å; L582-I716 HydrophobicContact CD1-CG2 4.12Å; L600-I716 HydrophobicContact CD1-CB 4.48Å; L600-I716 HydrophobicContact CD1-CG2 3.51Å; L600-I716 HydrophobicContact CD2-CD1 3.98Å; L600-I716 HydrophobicContact CD2-CG2 4.31Å; V709-I716 HydrophobicContact CG1-CD1 4.05Å; Y712-I716 PolarHBondContact O-N 2.72Å; T713-I716 PolarHBondContact O-N 3.35Å; I716-K718 VanDerWaalsContact C-N 3.3Å; I716-K718 PolarHBondContact O-N 2.81Å; I716-V719 WeakPolarHBondContact O-CB 3.29Å; I716-V719 PolarHBondContact O-N 3.2Å; I716-F720 HydrophobicContact CG2-CD2 4.28Å; I716-F720 HydrophobicContact CG2-CE1 4.09Å; I716-F720 HydrophobicContact CG2-CE2 3.49Å; I716-F720 VanDerWaalsContact CG2-CE2 3.49Å; I716-F720 HydrophobicContact CG2-CZ 3.37Å; I716-F720 WeakPolarHBondContact O-CD2 3.47Å; I716-F720 WeakPolarHBondContact O-CG 3.39Å; I716-F720 PolarHBondContact O-N 3.11Å; I716-F720 VanDerWaalsContact O-N 3.15Å
717	Y	78.9	Confident	76.4	Confident	101 Å²	101	37.8 Å²	37.8	40%	0.396	19%	0.193	S	C	.	.	H	α-helix	trans	-64.7	-33.7	176.8	-76	-57.2	0	0	0	113.3	L600 T713 Q714 W715 F720 R721	L600-Y717 HydrophobicContact CD1-CE1 4.25Å; T713-Y717 HydrophobicContact CG2-CD2 3.61Å; T713-Y717 HydrophobicContact CG2-CE2 3.26Å; T713-Y717 VanDerWaalsContact O-CD2 3.25Å; T713-Y717 WeakPolarHBondContact O-CD2 3.32Å; T713-Y717 PolarHBondContact O-N 3.06Å; Q714-Y717 PolarHBondContact O-N 2.64Å; W715-Y717 PolarHBondContact O-N 3.26Å; Y717-F720 AromaticContact CD1-CD2 3.91Å; Y717-F720 HydrophobicContact CD1-CD2 3.91Å; Y717-F720 HydrophobicContact CD1-CE2 4.3Å; Y717-F720 HydrophobicContact CE1-CD2 4.47Å; Y717-F720 PolarHBondContact O-N 3.01Å; Y717-R721 PolarHBondContact O-N 2.98Å
718	K	75.3	Confident	75.7	Confident	3 Å²	3	39.4 Å²	39.4	1%	0.013	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-44.6	173.3	-179	177.8	-176.9	154.7	0	111.7	D441 D443 W448 W458 Q714 W715 I716 F720 R721 Y722	D441-K718 IonicContact OD1-NZ 2.75Å; D441-K718 PolarHBondContact OD1-NZ 3.25Å; D441-K718 WeakPolarHBondContact OD2-CD 3.41Å; D441-K718 WeakPolarHBondContact OD2-CE 3.4Å; D441-K718 IonicContact OD2-NZ 2.74Å; D441-K718 PolarHBondContact OD2-NZ 3.25Å; D443-K718 VanDerWaalsContact OD2-CD 3.23Å; D443-K718 WeakPolarHBondContact OD2-CD 3.2Å; D443-K718 IonicContact OD2-NZ 3.16Å; D443-K718 PolarHBondContact OD2-NZ 3.08Å; W448-K718 VanDerWaalsContact CE2-NZ 3.29Å; W458-K718 HydrophobicContact CH2-CD 3.86Å; W458-K718 HydrophobicContact CH2-CG 3.99Å; W458-K718 HydrophobicContact CZ2-CD 4.42Å; W458-K718 HydrophobicContact CZ2-CG 4.05Å; W458-K718 HydrophobicContact CZ3-CD 4.21Å; Q714-K718 WeakPolarHBondContact O-CB 3.26Å; Q714-K718 PolarHBondContact O-N 3.15Å; W715-K718 VanDerWaalsContact O-CB 3.31Å; W715-K718 WeakPolarHBondContact O-CB 3.28Å; W715-K718 PolarHBondContact O-N 2.82Å; W715-K718 VanDerWaalsContact O-N 3.15Å; I716-K718 VanDerWaalsContact C-N 3.3Å; I716-K718 PolarHBondContact O-N 2.81Å; K718-F720 VanDerWaalsContact C-N 3.32Å; K718-F720 PolarHBondContact O-N 2.84Å; K718-R721 WeakPolarHBondContact O-CB 3.32Å; K718-R721 PolarHBondContact O-N 2.9Å; K718-R721 VanDerWaalsContact O-N 3.12Å; K718-Y722 HydrophobicContact CG-CD2 3.68Å; K718-Y722 HydrophobicContact CG-CE2 3.71Å; K718-Y722 VanDerWaalsContact O-CD2 3.26Å; K718-Y722 WeakPolarHBondContact O-CD2 3.42Å; K718-Y722 PolarHBondContact O-N 2.82Å; K718-Y722 VanDerWaalsContact O-N 3.1Å
719	V	81.6	Confident	74.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-46.4	174.7	173.6	0	0	0	0	111.2	W458 W526 I572 L582 W715 I716 R721 Y722 N723	W458-V719 HydrophobicContact CH2-CG2 4.05Å; W458-V719 HydrophobicContact CZ2-CB 4.33Å; W458-V719 HydrophobicContact CZ2-CG2 3.58Å; W526-V719 HydrophobicContact CE3-CG1 4.43Å; W526-V719 HydrophobicContact CH2-CG1 3.86Å; W526-V719 HydrophobicContact CZ3-CG1 3.79Å; I572-V719 HydrophobicContact CD1-CG1 3.61Å; I572-V719 HydrophobicContact CG2-CG1 4.28Å; I572-V719 HydrophobicContact CG2-CG2 4.08Å; L582-V719 HydrophobicContact CD1-CB 3.77Å; L582-V719 HydrophobicContact CD1-CG1 3.72Å; L582-V719 HydrophobicContact CD1-CG2 3.96Å; W715-V719 HydrophobicContact CD2-CG2 4.14Å; W715-V719 HydrophobicContact CH2-CG2 4.2Å; W715-V719 HydrophobicContact CZ2-CG2 3.62Å; W715-V719 WeakPolarHBondContact O-CG2 3.49Å; W715-V719 PolarHBondContact O-N 2.85Å; I716-V719 WeakPolarHBondContact O-CB 3.29Å; I716-V719 PolarHBondContact O-N 3.2Å; V719-R721 VanDerWaalsContact C-N 3.29Å; V719-R721 PolarHBondContact O-N 3.42Å; V719-Y722 PolarHBondContact O-N 3.31Å; V719-N723 WeakPolarHBondContact O-CB 3.23Å; V719-N723 PolarHBondContact O-N 2.79Å; V719-N723 PolarHBondContact O-ND2 3.02Å
720	F	79.8	Confident	73.9	Confident	10 Å²	10	42.5 Å²	42.5	4%	0.044	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-35.8	177.3	-59.2	-26.9	0	0	0	113.3	V522 R523 W526 L582 L600 I716 Y717 K718	V522-F720 HydrophobicContact CG2-CE1 4.44Å; V522-F720 HydrophobicContact CG2-CZ 3.88Å; R523-F720 HydrophobicContact CG-CE1 4.46Å; R523-F720 HydrophobicContact CG-CE2 4.17Å; R523-F720 HydrophobicContact CG-CZ 4.04Å; R523-F720 VanDerWaalsContact NE-CE2 3.27Å; W526-F720 HydrophobicContact CB-CD1 4.49Å; W526-F720 HydrophobicContact CB-CE1 3.68Å; W526-F720 HydrophobicContact CB-CZ 4.37Å; W526-F720 AromaticContact CD1-CD1 3.87Å; W526-F720 AromaticContact CD1-CE1 3.89Å; W526-F720 AromaticContact CD2-CD1 3.89Å; W526-F720 HydrophobicContact CD2-CD1 3.89Å; W526-F720 AromaticContact CD2-CE1 3.83Å; W526-F720 HydrophobicContact CD2-CE1 3.83Å; W526-F720 AromaticContact CE2-CD1 3.98Å; W526-F720 HydrophobicContact CE3-CE1 4.41Å; W526-F720 AromaticContact CG-CD1 3.81Å; W526-F720 HydrophobicContact CG-CD1 3.81Å; W526-F720 AromaticContact CG-CE1 3.47Å; W526-F720 HydrophobicContact CG-CE1 3.47Å; W526-F720 VanDerWaalsContact CG-CE1 3.47Å; W526-F720 AromaticContact NE1-CD1 3.95Å; L582-F720 HydrophobicContact CD1-CE1 4.4Å; L582-F720 HydrophobicContact CD2-CE1 4.25Å; L600-F720 HydrophobicContact CD1-CE2 3.68Å; L600-F720 HydrophobicContact CD1-CZ 4.13Å; I716-F720 HydrophobicContact CG2-CD2 4.28Å; I716-F720 HydrophobicContact CG2-CE1 4.09Å; I716-F720 HydrophobicContact CG2-CE2 3.49Å; I716-F720 VanDerWaalsContact CG2-CE2 3.49Å; I716-F720 HydrophobicContact CG2-CZ 3.37Å; I716-F720 WeakPolarHBondContact O-CD2 3.47Å; I716-F720 WeakPolarHBondContact O-CG 3.39Å; I716-F720 PolarHBondContact O-N 3.11Å; I716-F720 VanDerWaalsContact O-N 3.15Å; Y717-F720 AromaticContact CD1-CD2 3.91Å; Y717-F720 HydrophobicContact CD1-CD2 3.91Å; Y717-F720 HydrophobicContact CD1-CE2 4.3Å; Y717-F720 HydrophobicContact CE1-CD2 4.47Å; Y717-F720 PolarHBondContact O-N 3.01Å; K718-F720 VanDerWaalsContact C-N 3.32Å; K718-F720 PolarHBondContact O-N 2.84Å
721	R	71	Confident	73.1	Confident	138 Å²	138	45.1 Å²	45.1	52%	0.521	23%	0.23	S	C	.	.	H	α-helix	trans	-68.9	-43.2	-179.3	-174.3	-176.3	-65.9	146.7	-0.9	112.2	Y717 K718 V719	Y717-R721 PolarHBondContact O-N 2.98Å; K718-R721 WeakPolarHBondContact O-CB 3.32Å; K718-R721 PolarHBondContact O-N 2.9Å; K718-R721 VanDerWaalsContact O-N 3.12Å; V719-R721 VanDerWaalsContact C-N 3.29Å; V719-R721 PolarHBondContact O-N 3.42Å
722	Y	68.1	Low	72.3	Confident	13 Å²	13	44.5 Å²	44.5	5%	0.051	23%	0.229	C	C	.	.	H	α-helix	trans	-90.8	-10.5	-174	-68.5	-67.1	0	0	0	114.1	R416 W448 F450 K718 V719 P724	R416-Y722 PolarHBondContact NH1-O 3.45Å; W448-Y722 HydrophobicContact CH2-CD2 4.46Å; W448-Y722 HydrophobicContact CH2-CE1 4.05Å; W448-Y722 AromaticContact CH2-CE2 3.86Å; W448-Y722 HydrophobicContact CH2-CE2 3.86Å; W448-Y722 AromaticContact CH2-CZ 3.63Å; W448-Y722 HydrophobicContact CZ2-CE2 4.05Å; W448-Y722 AromaticContact CZ2-CZ 3.95Å; F450-Y722 AromaticContact CE1-CD1 3.96Å; F450-Y722 HydrophobicContact CE1-CD1 3.96Å; F450-Y722 HydrophobicContact CE1-CE1 4.4Å; F450-Y722 AromaticContact CZ-CD1 3.84Å; F450-Y722 HydrophobicContact CZ-CD1 3.84Å; F450-Y722 AromaticContact CZ-CE1 3.82Å; F450-Y722 HydrophobicContact CZ-CE1 3.82Å; K718-Y722 HydrophobicContact CG-CD2 3.68Å; K718-Y722 HydrophobicContact CG-CE2 3.71Å; K718-Y722 VanDerWaalsContact O-CD2 3.26Å; K718-Y722 WeakPolarHBondContact O-CD2 3.42Å; K718-Y722 PolarHBondContact O-N 2.82Å; K718-Y722 VanDerWaalsContact O-N 3.1Å; V719-Y722 PolarHBondContact O-N 3.31Å; Y722-P724 WeakPolarHBondContact O-CD 3.42Å
723	N	69.5	Low	71.3	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.244	C	C	.	.	S	Bend	trans	-121.9	61.1	171.2	-58.3	-75.2	0	0	0	110.8	S457 W458 W526 V719	S457-N723 PolarHBondContact OG-OD1 2.81Å; W458-N723 PolarHBondContact NE1-ND2 3.4Å; W526-N723 HydrophobicContact CH2-CB 3.74Å; W526-N723 HydrophobicContact CZ2-CB 3.72Å; W526-N723 WeakPolarHBondContact CZ2-O 3.3Å; V719-N723 WeakPolarHBondContact O-CB 3.23Å; V719-N723 PolarHBondContact O-N 2.79Å; V719-N723 PolarHBondContact O-ND2 3.02Å
724	P	56	Low	70.5	Confident	48 Å²	48	50.9 Å²	50.9	31%	0.312	26%	0.263	S	S	.	.			trans	-65.4	156.4	179.9	28.1	-32.7	0	0	0	111.3	R416 R584 Y722	R416-P724 HydrophobicContact CG-CG 3.98Å; R584-P724 PolarHBondContact NH2-O 3.31Å; Y722-P724 WeakPolarHBondContact O-CD 3.42Å
725	N	53.8	Low	70.1	Confident	89 Å²	89	47.8 Å²	47.8	48%	0.476	25%	0.25	S	C	.	.			trans	-54.5	141.3	176.2	-58.5	13.1	0	0	0	109.5	E525	E525-N725 WeakPolarHBondContact OE2-CB 3.47Å; E525-N725 PolarHBondContact OE2-OD1 3.42Å
726	S	39	Very low	68.7	Low	166 Å²	166	52 Å²	52	100%	1.161	27%	0.272	S	S	*	.			trans	-82	0	177.1	-40.2	0	0	0	0	110.1

Retrieved 726 of 726 residues in 926.9 ms (Link to these results)

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