A0A5K4EPQ8_SCHMA Loading...

MADS-box domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EPQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 292 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	73.8	Confident	90	Very high	228 Å²	228	149.6 Å²	149.6	100%	1.123	72%	0.715	S	S	*	*				0	134.9	0	-73.3	-173.7	-175.6	0	0	109.2
2	G	91.7	Very high	90.3	Very high	68 Å²	68	149 Å²	149	70%	0.701	71%	0.711	S	S	*	*			trans	-83.1	177.9	-179.7	0	0	0	0	0	114.5
3	R	91.5	Very high	90.5	Very high	234 Å²	234	144 Å²	144	88%	0.883	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-72	127.9	175.3	-172.1	175.2	-178.3	167.7	-1.2	110.1
4	R	93.2	Very high	90.6	Very high	196 Å²	196	146.4 Å²	146.4	74%	0.74	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-88.7	146.7	173.6	-62.3	-179	-176.4	161.5	1.3	110.4
5	K	92.7	Very high	90.7	Very high	213 Å²	213	146.1 Å²	146.1	93%	0.926	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.1	133.7	169.1	-174.8	176.9	178.2	-178.3	0	108.5
6	I	91.7	Very high	90.8	Very high	90 Å²	90	144.7 Å²	144.7	46%	0.462	69%	0.691	S	S	.	*			trans	-115.5	147.6	174.4	59.3	174	0	0	0	108.6	R24	I6-R24 VanDerWaalsContact CD1-NH2 3.33Å
7	E	93.3	Very high	90.8	Very high	150 Å²	150	138.2 Å²	138.2	70%	0.701	66%	0.664	S	S	*	*			trans	-69.5	148.3	173.2	-63.5	-176.1	-179.1	0	0	110.6	Q9	E7-Q9 HydrophobicContact CB-CG 4.48Å; E7-Q9 PolarHBondContact O-N 3.16Å; E7-Q9 PolarHBondContact OE2-NE2 2.89Å
8	V	90.8	Very high	90.7	Very high	130 Å²	130	133.3 Å²	133.3	79%	0.788	64%	0.644	S	S	*	*	S	Bend	trans	-84.8	74.4	178	-173.6	0	0	0	0	108.6
9	Q	91.6	Very high	90.7	Very high	139 Å²	139	128.5 Å²	128.5	65%	0.65	63%	0.628	S	S	*	*	S	Bend	trans	-136.9	171.1	176.1	-62.2	-175.9	36.7	0	0	109.2	E7 I11	E7-Q9 HydrophobicContact CB-CG 4.48Å; E7-Q9 PolarHBondContact O-N 3.16Å; E7-Q9 PolarHBondContact OE2-NE2 2.89Å; Q9-I11 PolarHBondContact O-N 3.48Å
10	K	88.8	Confident	90.7	Very high	153 Å²	153	123.7 Å²	123.7	67%	0.665	61%	0.607	S	S	*	*			trans	-61	134.7	174.4	-173.3	-177	173.9	-163.6	0	109.6	E12	K10-E12 PolarHBondContact O-N 3.26Å
11	I	91.4	Very high	90.6	Very high	45 Å²	45	119.5 Å²	119.5	23%	0.231	59%	0.585	C	S	.	*			trans	-85.3	113.1	175.3	-59.5	172.7	0	0	0	107.7	Q9 D13 K16 C17 T20	Q9-I11 PolarHBondContact O-N 3.48Å; I11-D13 HydrophobicContact CG2-CB 4.33Å; I11-K16 HydrophobicContact CG2-CB 3.7Å; I11-C17 HydrophobicContact CB-CB 4.19Å; I11-C17 HydrophobicContact CG2-CB 4.26Å; I11-T20 HydrophobicContact CD1-CG2 3.67Å; I11-T20 VanDerWaalsContact CD1-OG1 3.31Å; I11-T20 WeakPolarHBondContact CD1-OG1 3.49Å
12	E	93.3	Very high	91.1	Very high	142 Å²	142	115.1 Å²	115.1	66%	0.664	56%	0.556	S	S	*	*			trans	-69.4	-37.8	-178.8	-57.7	-54.6	158.7	0	0	112.7	K10 K14	K10-E12 PolarHBondContact O-N 3.26Å; E12-K14 PolarHBondContact O-N 2.66Å
13	D	92.7	Very high	91	Very high	84 Å²	84	119.6 Å²	119.6	45%	0.449	56%	0.556	S	S	.	*	S	Bend	trans	-65.9	107	177.1	-70.3	-28.2	0	0	0	111	I11 N15 K16 C17	I11-D13 HydrophobicContact CG2-CB 4.33Å; D13-N15 VanDerWaalsContact C-N 3.28Å; D13-N15 PolarHBondContact O-N 3.46Å; D13-K16 HydrophobicContact CB-CB 3.9Å; D13-K16 HydrophobicContact CB-CD 3.88Å; D13-K16 HydrophobicContact CB-CG 3.88Å; D13-K16 PolarHBondContact O-N 2.83Å; D13-K16 VanDerWaalsContact OD2-CD 3.27Å; D13-K16 WeakPolarHBondContact OD2-CD 3.38Å; D13-K16 WeakPolarHBondContact OD2-CE 3.35Å; D13-K16 IonicContact OD2-NZ 2.67Å; D13-K16 PolarHBondContact OD2-NZ 3.41Å; D13-C17 WeakPolarHBondContact O-CB 3.41Å; D13-C17 PolarHBondContact O-N 2.96Å
14	K	91.5	Very high	91.1	Very high	177 Å²	177	114.5 Å²	114.5	77%	0.77	54%	0.537	S	S	*	.	H	α-helix	trans	-50.5	-44.7	-178.6	-64.8	-179.8	-177.5	176.5	0	113.1	E12 C17 V18	E12-K14 PolarHBondContact O-N 2.66Å; K14-C17 WeakPolarHBondContact O-CB 3.41Å; K14-C17 PolarHBondContact O-N 3.11Å; K14-V18 WeakPolarHBondContact O-CG2 3.42Å; K14-V18 PolarHBondContact O-N 2.91Å
15	N	92.2	Very high	90.9	Very high	142 Å²	142	106.8 Å²	106.8	76%	0.759	51%	0.508	S	S	*	.	H	α-helix	trans	-64.8	-42.5	180	-67.2	-18.4	0	0	0	112.2	D13 C17 A19	D13-N15 VanDerWaalsContact C-N 3.28Å; D13-N15 PolarHBondContact O-N 3.46Å; N15-C17 VanDerWaalsContact C-N 3.34Å; N15-A19 WeakPolarHBondContact O-CB 3.29Å; N15-A19 PolarHBondContact O-N 3.38Å; N15-A19 VanDerWaalsContact O-N 3.09Å
16	K	92.5	Very high	90.4	Very high	124 Å²	124	99.2 Å²	99.2	54%	0.539	48%	0.478	S	S	.	.	H	α-helix	trans	-70.1	-34.5	176.3	-62.9	-177.2	-171.2	155	0	111.1	I11 D13 T20	I11-K16 HydrophobicContact CG2-CB 3.7Å; D13-K16 HydrophobicContact CB-CB 3.9Å; D13-K16 HydrophobicContact CB-CD 3.88Å; D13-K16 HydrophobicContact CB-CG 3.88Å; D13-K16 PolarHBondContact O-N 2.83Å; D13-K16 VanDerWaalsContact OD2-CD 3.27Å; D13-K16 WeakPolarHBondContact OD2-CD 3.38Å; D13-K16 WeakPolarHBondContact OD2-CE 3.35Å; D13-K16 IonicContact OD2-NZ 2.67Å; D13-K16 PolarHBondContact OD2-NZ 3.41Å; K16-T20 WeakPolarHBondContact O-CB 3.3Å; K16-T20 PolarHBondContact O-N 3.27Å; K16-T20 PolarHBondContact O-OG1 3.2Å
17	C	90.8	Very high	90.1	Very high	35 Å²	35	96.6 Å²	96.6	24%	0.236	47%	0.473	C	S	.	.	H	α-helix	trans	-61.1	-53.8	174.8	-178	0	0	0	0	110.9	I11 D13 K14 N15 A19 T20 F21	I11-C17 HydrophobicContact CB-CB 4.19Å; I11-C17 HydrophobicContact CG2-CB 4.26Å; D13-C17 WeakPolarHBondContact O-CB 3.41Å; D13-C17 PolarHBondContact O-N 2.96Å; K14-C17 WeakPolarHBondContact O-CB 3.41Å; K14-C17 PolarHBondContact O-N 3.11Å; N15-C17 VanDerWaalsContact C-N 3.34Å; C17-A19 PolarHBondContact O-N 2.87Å; C17-T20 PolarHBondContact O-N 3.44Å; C17-F21 WeakPolarHBondContact O-CB 3.27Å; C17-F21 PolarHBondContact O-N 3.34Å
18	V	89.2	Confident	89.8	Confident	49 Å²	49	92.7 Å²	92.7	30%	0.297	46%	0.457	S	S	.	.	H	α-helix	trans	-59.1	-46.7	178.3	175	0	0	0	0	111.2	K14 T20 F21 R22 Y49	K14-V18 WeakPolarHBondContact O-CG2 3.42Å; K14-V18 PolarHBondContact O-N 2.91Å; V18-T20 VanDerWaalsContact C-N 3.33Å; V18-T20 PolarHBondContact O-N 3.36Å; V18-F21 PolarHBondContact O-N 3.01Å; V18-R22 WeakPolarHBondContact O-CG 3.26Å; V18-R22 PolarHBondContact O-N 2.9Å; V18-Y49 HydrophobicContact CG2-CE1 4.33Å; V18-Y49 VanDerWaalsContact CG2-OH 3.23Å; V18-Y49 WeakPolarHBondContact CG2-OH 3.33Å
19	A	90.8	Very high	89.5	Confident	42 Å²	42	87 Å²	87	35%	0.347	42%	0.421	S	S	.	.	H	α-helix	trans	-63.4	-39.2	178.6	0	0	0	0	0	112.3	N15 C17 K23	N15-A19 WeakPolarHBondContact O-CB 3.29Å; N15-A19 PolarHBondContact O-N 3.38Å; N15-A19 VanDerWaalsContact O-N 3.09Å; C17-A19 PolarHBondContact O-N 2.87Å; A19-K23 WeakPolarHBondContact O-CB 3.29Å; A19-K23 VanDerWaalsContact O-CG 3.29Å; A19-K23 WeakPolarHBondContact O-CG 3.46Å; A19-K23 PolarHBondContact O-N 3.1Å; A19-K23 VanDerWaalsContact O-N 3.13Å
20	T	90.8	Very high	89.1	Confident	33 Å²	33	86.7 Å²	86.7	20%	0.202	42%	0.418	C	S	.	.	H	α-helix	trans	-69.7	-42.1	177	-60.3	0	0	0	0	111.3	I11 K16 C17 V18 K23 R24	I11-T20 HydrophobicContact CD1-CG2 3.67Å; I11-T20 VanDerWaalsContact CD1-OG1 3.31Å; I11-T20 WeakPolarHBondContact CD1-OG1 3.49Å; K16-T20 WeakPolarHBondContact O-CB 3.3Å; K16-T20 PolarHBondContact O-N 3.27Å; K16-T20 PolarHBondContact O-OG1 3.2Å; C17-T20 PolarHBondContact O-N 3.44Å; V18-T20 VanDerWaalsContact C-N 3.33Å; V18-T20 PolarHBondContact O-N 3.36Å; T20-K23 PolarHBondContact O-N 3.2Å; T20-R24 HydrophobicContact CG2-CG 3.94Å; T20-R24 VanDerWaalsContact O-CB 3.27Å; T20-R24 WeakPolarHBondContact O-CB 3.42Å; T20-R24 VanDerWaalsContact O-CG 3.3Å; T20-R24 WeakPolarHBondContact O-CG 3.26Å; T20-R24 PolarHBondContact O-N 2.85Å
21	F	88.9	Confident	88.9	Confident	35 Å²	35	86 Å²	86	15%	0.154	42%	0.415	C	S	.	.	H	α-helix	trans	-57.5	-51.9	176.3	174.5	-100.7	0	0	0	110.6	C17 V18 K23 R24 R25 Y49 Y54	C17-F21 WeakPolarHBondContact O-CB 3.27Å; C17-F21 PolarHBondContact O-N 3.34Å; V18-F21 PolarHBondContact O-N 3.01Å; F21-K23 PolarHBondContact O-N 3.22Å; F21-R24 PolarHBondContact O-N 3.01Å; F21-R25 HydrophobicContact CZ-CB 4.47Å; F21-R25 WeakPolarHBondContact O-CB 3.34Å; F21-R25 PolarHBondContact O-N 3.49Å; F21-Y49 HydrophobicContact CB-CD2 4.49Å; F21-Y49 HydrophobicContact CB-CE2 4.44Å; F21-Y49 AromaticContact CD1-CD1 3.74Å; F21-Y49 HydrophobicContact CD1-CD1 3.74Å; F21-Y49 HydrophobicContact CD1-CD2 4.4Å; F21-Y49 HydrophobicContact CD1-CE1 4.27Å; F21-Y49 AromaticContact CD1-CG 3.81Å; F21-Y49 HydrophobicContact CD1-CG 3.81Å; F21-Y49 AromaticContact CD2-CD2 3.91Å; F21-Y49 HydrophobicContact CD2-CD2 3.91Å; F21-Y49 AromaticContact CD2-CG 3.9Å; F21-Y49 HydrophobicContact CD2-CG 3.9Å; F21-Y49 AromaticContact CE1-CD1 3.9Å; F21-Y49 HydrophobicContact CE1-CD1 3.9Å; F21-Y49 AromaticContact CE1-CG 3.85Å; F21-Y49 HydrophobicContact CE1-CG 3.85Å; F21-Y49 VanDerWaalsContact CE2-CB 3.44Å; F21-Y49 HydrophobicContact CE2-CD2 4.29Å; F21-Y49 AromaticContact CE2-CG 3.95Å; F21-Y49 HydrophobicContact CE2-CG 3.95Å; F21-Y49 HydrophobicContact CG-CD1 4.13Å; F21-Y49 AromaticContact CG-CD2 3.99Å; F21-Y49 HydrophobicContact CG-CD2 3.99Å; F21-Y49 HydrophobicContact CG-CE2 4.39Å; F21-Y49 AromaticContact CG-CG 3.84Å; F21-Y49 HydrophobicContact CG-CG 3.84Å; F21-Y49 HydrophobicContact CZ-CD1 4.43Å; F21-Y49 AromaticContact CZ-CG 3.93Å; F21-Y49 HydrophobicContact CZ-CG 3.93Å; F21-Y54 HydrophobicContact CE1-CD2 4.08Å; F21-Y54 AromaticContact CE1-CE2 3.51Å; F21-Y54 HydrophobicContact CE1-CE2 3.51Å; F21-Y54 AromaticContact CE1-CZ 3.86Å; F21-Y54 AromaticContact CZ-CD2 3.66Å; F21-Y54 HydrophobicContact CZ-CD2 3.66Å; F21-Y54 AromaticContact CZ-CE2 3.51Å; F21-Y54 HydrophobicContact CZ-CE2 3.51Å
22	R	84.8	Confident	88.3	Confident	136 Å²	136	84.3 Å²	84.3	51%	0.513	41%	0.407	S	S	.	.	H	α-helix	trans	-55.8	-53.7	177.4	-69.5	178.5	-177.6	-165.3	0.8	111.5	V18 R24 R25 D26	V18-R22 WeakPolarHBondContact O-CG 3.26Å; V18-R22 PolarHBondContact O-N 2.9Å; R22-R24 PolarHBondContact O-N 3.26Å; R22-R25 PolarHBondContact O-N 3.37Å; R22-D26 PolarHBondContact O-N 3.49Å
23	K	89.2	Confident	87.6	Confident	163 Å²	163	80.2 Å²	80.2	71%	0.709	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-40.4	-179.3	-70.9	176.3	-179.2	-176.7	0	113.3	A19 T20 F21 G27	A19-K23 WeakPolarHBondContact O-CB 3.29Å; A19-K23 VanDerWaalsContact O-CG 3.29Å; A19-K23 WeakPolarHBondContact O-CG 3.46Å; A19-K23 PolarHBondContact O-N 3.1Å; A19-K23 VanDerWaalsContact O-N 3.13Å; T20-K23 PolarHBondContact O-N 3.2Å; F21-K23 PolarHBondContact O-N 3.22Å; K23-G27 PolarHBondContact O-N 3.32Å; K23-G27 VanDerWaalsContact O-N 3.07Å
24	R	92.5	Very high	86.9	Confident	126 Å²	126	79.9 Å²	79.9	48%	0.475	39%	0.385	S	S	.	.	H	α-helix	trans	-73.9	-40.6	179.8	-73.1	-172.5	-174	-168	5.6	111.9	I6 T20 F21 R22 G27 L28	I6-R24 VanDerWaalsContact CD1-NH2 3.33Å; T20-R24 HydrophobicContact CG2-CG 3.94Å; T20-R24 VanDerWaalsContact O-CB 3.27Å; T20-R24 WeakPolarHBondContact O-CB 3.42Å; T20-R24 VanDerWaalsContact O-CG 3.3Å; T20-R24 WeakPolarHBondContact O-CG 3.26Å; T20-R24 PolarHBondContact O-N 2.85Å; F21-R24 PolarHBondContact O-N 3.01Å; R22-R24 PolarHBondContact O-N 3.26Å; R24-G27 PolarHBondContact O-N 2.95Å; R24-L28 VanDerWaalsContact O-CB 3.26Å; R24-L28 WeakPolarHBondContact O-CB 3.38Å; R24-L28 PolarHBondContact O-N 3.03Å
25	R	88.7	Confident	86.4	Confident	34 Å²	34	74.9 Å²	74.9	13%	0.128	37%	0.366	C	S	.	.	H	α-helix	trans	-57	-51.3	173.6	178.4	-158.6	65.7	-173.2	-0.2	110.3	F21 R22 G27 L28 F29	F21-R25 HydrophobicContact CZ-CB 4.47Å; F21-R25 WeakPolarHBondContact O-CB 3.34Å; F21-R25 PolarHBondContact O-N 3.49Å; R22-R25 PolarHBondContact O-N 3.37Å; R25-G27 PolarHBondContact O-N 3.24Å; R25-L28 WeakPolarHBondContact O-CB 3.34Å; R25-L28 PolarHBondContact O-N 3.41Å; R25-L28 VanDerWaalsContact O-N 3.16Å; R25-F29 HydrophobicContact CG-CD2 4.27Å; R25-F29 HydrophobicContact CG-CE2 3.92Å; R25-F29 HydrophobicContact CG-CZ 4.12Å; R25-F29 WeakPolarHBondContact O-CG 3.27Å; R25-F29 PolarHBondContact O-N 3.37Å
26	D	82	Confident	85.8	Confident	54 Å²	54	69.7 Å²	69.7	29%	0.289	34%	0.338	S	S	.	.	H	α-helix	trans	-64.3	-42.3	-178.4	-59.5	-13.9	0	0	0	111.1	R22 L28 F29 K30	R22-D26 PolarHBondContact O-N 3.49Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 2.89Å; D26-F29 PolarHBondContact O-N 3.33Å; D26-K30 WeakPolarHBondContact O-CB 3.14Å; D26-K30 PolarHBondContact O-N 2.91Å
27	G	86	Confident	84.9	Confident	35 Å²	35	72.5 Å²	72.5	36%	0.361	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-34.1	174.3	0	0	0	0	0	113.8	K23 R24 R25 K31	K23-G27 PolarHBondContact O-N 3.32Å; K23-G27 VanDerWaalsContact O-N 3.07Å; R24-G27 PolarHBondContact O-N 2.95Å; R25-G27 PolarHBondContact O-N 3.24Å; G27-K31 WeakPolarHBondContact O-CG 3.34Å; G27-K31 PolarHBondContact O-N 3.38Å; G27-K31 VanDerWaalsContact O-N 3.12Å
28	L	87.7	Confident	84.2	Confident	69 Å²	69	77 Å²	77	36%	0.361	37%	0.366	S	S	.	.	H	α-helix	trans	-68.5	-46.6	176	-178	67.1	0	0	0	111	R24 R25 D26 K30 K31 A32 L45 L47	R24-L28 VanDerWaalsContact O-CB 3.26Å; R24-L28 WeakPolarHBondContact O-CB 3.38Å; R24-L28 PolarHBondContact O-N 3.03Å; R25-L28 WeakPolarHBondContact O-CB 3.34Å; R25-L28 PolarHBondContact O-N 3.41Å; R25-L28 VanDerWaalsContact O-N 3.16Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 2.89Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.44Å; L28-K31 PolarHBondContact O-N 3.26Å; L28-A32 PolarHBondContact O-N 3.42Å; L28-L45 HydrophobicContact CD2-CD1 4.25Å; L28-L45 HydrophobicContact CG-CD1 4.03Å; L28-L47 HydrophobicContact CD2-CD1 4.4Å; L28-L47 HydrophobicContact CD2-CD2 3.97Å
29	F	84.4	Confident	83.8	Confident	11 Å²	11	77.1 Å²	77.1	5%	0.048	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-40.6	176.7	-70.2	-10.4	0	0	0	112.2	R25 D26 K31 A32 L33 L45 L47 F56 Y74	R25-F29 HydrophobicContact CG-CD2 4.27Å; R25-F29 HydrophobicContact CG-CE2 3.92Å; R25-F29 HydrophobicContact CG-CZ 4.12Å; R25-F29 WeakPolarHBondContact O-CG 3.27Å; R25-F29 PolarHBondContact O-N 3.37Å; D26-F29 PolarHBondContact O-N 3.33Å; F29-K31 VanDerWaalsContact C-N 3.32Å; F29-K31 PolarHBondContact O-N 2.89Å; F29-A32 PolarHBondContact O-N 2.92Å; F29-L33 WeakPolarHBondContact O-CB 3.42Å; F29-L33 PolarHBondContact O-N 3.47Å; F29-L45 HydrophobicContact CD1-CD1 3.97Å; F29-L45 HydrophobicContact CE1-CB 4.27Å; F29-L45 HydrophobicContact CE1-CD1 4.21Å; F29-L47 HydrophobicContact CD1-CD1 4.29Å; F29-L47 HydrophobicContact CE1-CD1 3.21Å; F29-L47 HydrophobicContact CZ-CD1 3.52Å; F29-F56 HydrophobicContact CB-CD2 4.23Å; F29-F56 HydrophobicContact CD1-CB 3.64Å; F29-F56 HydrophobicContact CD1-CD2 4.39Å; F29-F56 HydrophobicContact CD1-CG 4.16Å; F29-F56 HydrophobicContact CE1-CB 3.49Å; F29-F56 VanDerWaalsContact CE1-CB 3.49Å; F29-F56 HydrophobicContact CE1-CG 4.47Å; F29-F56 HydrophobicContact CE2-CB 4.47Å; F29-F56 HydrophobicContact CG-CB 4.18Å; F29-F56 HydrophobicContact CG-CD2 4.3Å; F29-F56 HydrophobicContact CZ-CB 3.95Å; F29-Y74 HydrophobicContact CD2-CE1 4.49Å
30	K	83.6	Confident	83	Confident	131 Å²	131	77.2 Å²	77.2	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-59.5	-43.1	173.3	-172.8	176.1	-179.9	179.3	0	112	D26 L28 L33 E34	D26-K30 WeakPolarHBondContact O-CB 3.14Å; D26-K30 PolarHBondContact O-N 2.91Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.44Å; K30-L33 PolarHBondContact O-N 3.49Å; K30-E34 VanDerWaalsContact CE-OE1 3.24Å; K30-E34 WeakPolarHBondContact CE-OE1 3.44Å; K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 3.36Å
31	K	83.1	Confident	82.2	Confident	140 Å²	140	75.7 Å²	75.7	61%	0.609	36%	0.362	S	S	*	.	H	α-helix	trans	-66.8	-38	177	-78.1	-177.3	171.9	-66.4	0	112.9	G27 L28 F29 E34 L35	G27-K31 WeakPolarHBondContact O-CG 3.34Å; G27-K31 PolarHBondContact O-N 3.38Å; G27-K31 VanDerWaalsContact O-N 3.12Å; L28-K31 PolarHBondContact O-N 3.26Å; F29-K31 VanDerWaalsContact C-N 3.32Å; F29-K31 PolarHBondContact O-N 2.89Å; K31-E34 PolarHBondContact O-N 2.97Å; K31-L35 WeakPolarHBondContact O-CB 3.35Å; K31-L35 PolarHBondContact O-N 2.67Å
32	A	79.9	Confident	81.7	Confident	8 Å²	8	78.1 Å²	78.1	7%	0.066	37%	0.374	C	S	.	.	H	α-helix	trans	-63.3	-43.8	175.6	0	0	0	0	0	111.2	L28 F29 L35 H36 I43 L45 F56	L28-A32 PolarHBondContact O-N 3.42Å; F29-A32 PolarHBondContact O-N 2.92Å; A32-L35 PolarHBondContact O-N 3.27Å; A32-H36 WeakPolarHBondContact O-CB 3.48Å; A32-H36 PolarHBondContact O-N 3.4Å; A32-I43 HydrophobicContact CB-CG2 4.1Å; A32-I43 VanDerWaalsContact O-CD1 3.28Å; A32-I43 WeakPolarHBondContact O-CD1 3.5Å; A32-L45 HydrophobicContact CB-CD1 3.6Å; A32-L45 HydrophobicContact CB-CG 4.48Å; A32-F56 HydrophobicContact CB-CD1 3.86Å; A32-F56 HydrophobicContact CB-CE1 3.46Å; A32-F56 VanDerWaalsContact CB-CE1 3.46Å; A32-F56 HydrophobicContact CB-CE2 4.44Å; A32-F56 HydrophobicContact CB-CZ 3.79Å
33	L	79.2	Confident	81.1	Confident	56 Å²	56	71.9 Å²	71.9	29%	0.293	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-47.2	173.2	177.3	60.8	0	0	0	112.5	F29 K30 L35 H36 R37 F56 F72	F29-L33 WeakPolarHBondContact O-CB 3.42Å; F29-L33 PolarHBondContact O-N 3.47Å; K30-L33 PolarHBondContact O-N 3.49Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 PolarHBondContact O-N 2.91Å; L33-H36 PolarHBondContact O-N 2.92Å; L33-R37 WeakPolarHBondContact O-CB 3.26Å; L33-R37 PolarHBondContact O-N 2.93Å; L33-F56 HydrophobicContact CB-CE2 4.23Å; L33-F56 HydrophobicContact CB-CZ 4.19Å; L33-F72 HydrophobicContact CD1-CD2 4.19Å; L33-F72 HydrophobicContact CD1-CE1 4.14Å; L33-F72 HydrophobicContact CD1-CE2 3.23Å; L33-F72 HydrophobicContact CD1-CZ 3.24Å; L33-F72 HydrophobicContact CG-CE2 4.5Å
34	E	77.4	Confident	80.6	Confident	78 Å²	78	66.8 Å²	66.8	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-59.6	-41.3	175.8	-75.1	170.5	-171.7	0	0	111.4	K30 K31 R37 L38	K30-E34 VanDerWaalsContact CE-OE1 3.24Å; K30-E34 WeakPolarHBondContact CE-OE1 3.44Å; K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 3.36Å; K31-E34 PolarHBondContact O-N 2.97Å; E34-R37 PolarHBondContact O-N 3.23Å; E34-L38 WeakPolarHBondContact O-CB 3.44Å; E34-L38 VanDerWaalsContact O-CG 3.25Å; E34-L38 WeakPolarHBondContact O-CG 3.32Å; E34-L38 PolarHBondContact O-N 3.18Å
35	L	80	Confident	79.8	Confident	71 Å²	71	61.3 Å²	61.3	37%	0.372	31%	0.314	S	S	.	.	H	α-helix	trans	-65.8	-47.4	178.6	-174	66	0	0	0	111.6	K31 A32 L33 R37 L38 T39 I43	K31-L35 WeakPolarHBondContact O-CB 3.35Å; K31-L35 PolarHBondContact O-N 2.67Å; A32-L35 PolarHBondContact O-N 3.27Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 PolarHBondContact O-N 2.91Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.35Å; L35-L38 PolarHBondContact O-N 3.15Å; L35-T39 HydrophobicContact CD1-CG2 3.9Å; L35-T39 WeakPolarHBondContact O-CB 3.39Å; L35-T39 WeakPolarHBondContact O-CG2 3.44Å; L35-T39 PolarHBondContact O-N 3.11Å; L35-T39 PolarHBondContact O-OG1 3.09Å; L35-I43 HydrophobicContact CB-CD1 3.71Å; L35-I43 HydrophobicContact CD2-CD1 3.67Å; L35-I43 HydrophobicContact CG-CD1 3.74Å
36	H	80.4	Confident	79.2	Confident	34 Å²	34	61 Å²	61	16%	0.157	32%	0.317	C	S	.	.	H	α-helix	trans	-55.5	-48.4	173.7	171.2	66.1	0	0	0	110.7	A32 L33 L38 T39 G40 A41 I43 S58	A32-H36 WeakPolarHBondContact O-CB 3.48Å; A32-H36 PolarHBondContact O-N 3.4Å; L33-H36 PolarHBondContact O-N 2.92Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 2.81Å; H36-T39 PolarHBondContact O-N 3.28Å; H36-G40 VanDerWaalsContact O-CA 3.28Å; H36-G40 WeakPolarHBondContact O-CA 3.27Å; H36-G40 PolarHBondContact O-N 3.46Å; H36-A41 PolarHBondContact ND1-O 3.21Å; H36-I43 HydrophobicContact CB-CD1 4.02Å; H36-S58 VanDerWaalsContact CG-CB 3.44Å; H36-S58 WeakPolarHBondContact ND1-CB 3.25Å; H36-S58 PolarHBondContact ND1-OG 2.93Å
37	R	72.9	Confident	78.8	Confident	183 Å²	183	59.4 Å²	59.4	69%	0.691	31%	0.308	S	S	*	.	H	α-helix	trans	-62.7	-35.3	179.9	-168	-178	71.1	86	0.5	113.6	L33 E34 L35	L33-R37 WeakPolarHBondContact O-CB 3.26Å; L33-R37 PolarHBondContact O-N 2.93Å; E34-R37 PolarHBondContact O-N 3.23Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.35Å
38	L	77.1	Confident	78.4	Confident	129 Å²	129	59.8 Å²	59.8	68%	0.675	30%	0.303	S	S	*	.	H	α-helix	trans	-81.3	-31	-178	-73.3	174.1	0	0	0	113.3	E34 L35 H36	E34-L38 WeakPolarHBondContact O-CB 3.44Å; E34-L38 VanDerWaalsContact O-CG 3.25Å; E34-L38 WeakPolarHBondContact O-CG 3.32Å; E34-L38 PolarHBondContact O-N 3.18Å; L35-L38 PolarHBondContact O-N 3.15Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 2.81Å
39	T	80.2	Confident	77.9	Confident	52 Å²	52	59.3 Å²	59.3	32%	0.319	30%	0.297	S	S	.	.	H	α-helix	trans	-113.3	-18.7	-168.7	63	0	0	0	0	113.2	L35 H36 A41 F163	L35-T39 HydrophobicContact CD1-CG2 3.9Å; L35-T39 WeakPolarHBondContact O-CB 3.39Å; L35-T39 WeakPolarHBondContact O-CG2 3.44Å; L35-T39 PolarHBondContact O-N 3.11Å; L35-T39 PolarHBondContact O-OG1 3.09Å; H36-T39 PolarHBondContact O-N 3.28Å; T39-A41 PolarHBondContact O-N 3.08Å; T39-A41 VanDerWaalsContact OG1-CB 3.32Å; T39-A41 WeakPolarHBondContact OG1-CB 3.38Å; T39-A41 PolarHBondContact OG1-N 2.9Å; T39-F163 HydrophobicContact CG2-CE1 4.35Å; T39-F163 HydrophobicContact CG2-CZ 3.64Å
40	G	73.8	Confident	77.6	Confident	43 Å²	43	64.1 Å²	64.1	44%	0.443	32%	0.323	S	S	.	.			trans	71.7	-1.3	-168.1	0	0	0	0	0	113.8	H36	H36-G40 VanDerWaalsContact O-CA 3.28Å; H36-G40 WeakPolarHBondContact O-CA 3.27Å; H36-G40 PolarHBondContact O-N 3.46Å
41	A	75.5	Confident	77.1	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.008	34%	0.338	C	S	.	.			trans	-66.4	141.3	-177.8	0	0	0	0	0	111.3	H36 T39 I289	H36-A41 PolarHBondContact ND1-O 3.21Å; T39-A41 PolarHBondContact O-N 3.08Å; T39-A41 VanDerWaalsContact OG1-CB 3.32Å; T39-A41 WeakPolarHBondContact OG1-CB 3.38Å; T39-A41 PolarHBondContact OG1-N 2.9Å; A41-I289 HydrophobicContact CB-CG2 4.13Å
42	E	77	Confident	76.5	Confident	86 Å²	86	63.7 Å²	63.7	40%	0.402	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.9	173.5	-65.3	-178.2	175.7	0	0	109.5	S58 H59 I289 C290	E42-S58 WeakPolarHBondContact CA-OG 3.37Å; E42-H59 IonicContact OE1-CD2 2.67Å; E42-I289 WeakPolarHBondContact O-CA 3.4Å; E42-C290 HydrophobicContact CB-CB 4.24Å; E42-C290 PolarHBondContact N-O 3.23Å; E42-C290 PolarHBondContact O-N 3.46Å; E42-C290 VanDerWaalsContact O-N 3.08Å
43	I	73.6	Confident	76.3	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.026	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.7	-174.4	-59.5	165.8	0	0	0	108.9	A32 L35 H36 L45 F56 S57 S58	A32-I43 HydrophobicContact CB-CG2 4.1Å; A32-I43 VanDerWaalsContact O-CD1 3.28Å; A32-I43 WeakPolarHBondContact O-CD1 3.5Å; L35-I43 HydrophobicContact CB-CD1 3.71Å; L35-I43 HydrophobicContact CD2-CD1 3.67Å; L35-I43 HydrophobicContact CG-CD1 3.74Å; H36-I43 HydrophobicContact CB-CD1 4.02Å; I43-L45 HydrophobicContact CG2-CD2 4.23Å; I43-L45 HydrophobicContact CG2-CG 4.11Å; I43-F56 HydrophobicContact CB-CE1 4.27Å; I43-F56 HydrophobicContact CG2-CD1 4.44Å; I43-F56 HydrophobicContact CG2-CE1 4.19Å; I43-S57 WeakPolarHBondContact O-CA 3.28Å; I43-S58 PolarHBondContact N-OG 3.29Å; I43-S58 PolarHBondContact O-N 3.34Å
44	T	77.1	Confident	76.2	Confident	57 Å²	57	71.7 Å²	71.7	35%	0.35	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.2	169.5	-60.4	0	0	0	0	110.1	F56 D288	T44-F56 CarbonylContact C-O 3.54Å; T44-F56 WeakPolarHBondContact CA-O 3.45Å; T44-D288 PolarHBondContact N-O 3.13Å; T44-D288 VanDerWaalsContact N-O 3.09Å; T44-D288 PolarHBondContact O-N 3.41Å
45	L	77	Confident	76.1	Confident	11 Å²	11	73.4 Å²	73.4	6%	0.058	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133	175	-55.2	174.7	0	0	0	110.3	L28 F29 A32 I43 L47 Y55 F56 V287	L28-L45 HydrophobicContact CD2-CD1 4.25Å; L28-L45 HydrophobicContact CG-CD1 4.03Å; F29-L45 HydrophobicContact CD1-CD1 3.97Å; F29-L45 HydrophobicContact CE1-CB 4.27Å; F29-L45 HydrophobicContact CE1-CD1 4.21Å; A32-L45 HydrophobicContact CB-CD1 3.6Å; A32-L45 HydrophobicContact CB-CG 4.48Å; I43-L45 HydrophobicContact CG2-CD2 4.23Å; I43-L45 HydrophobicContact CG2-CG 4.11Å; L45-L47 HydrophobicContact CB-CD1 4.43Å; L45-Y55 CarbonylContact O-C 3.59Å; L45-Y55 WeakPolarHBondContact O-CA 3.22Å; L45-F56 HydrophobicContact CB-CB 4.17Å; L45-F56 HydrophobicContact CD1-CB 4.48Å; L45-F56 HydrophobicContact CD1-CD1 4.19Å; L45-F56 HydrophobicContact CG-CD1 4.21Å; L45-F56 PolarHBondContact N-O 2.86Å; L45-F56 PolarHBondContact O-N 3.44Å; L45-V287 HydrophobicContact CD2-CB 4.48Å; L45-V287 HydrophobicContact CD2-CG1 4.06Å; L45-V287 HydrophobicContact CD2-CG2 3.98Å
46	S	75	Confident	76	Confident	28 Å²	28	70.6 Å²	70.6	20%	0.196	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.3	167.1	-168.7	0	0	0	0	110.5	Y55	S46-Y55 WeakPolarHBondContact OG-CD1 3.28Å; S46-Y55 WeakPolarHBondContact OG-CE1 3.46Å
47	L	75.2	Confident	75.8	Confident	20 Å²	20	71.3 Å²	71.3	11%	0.105	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.7	173.9	-59.3	95.6	0	0	0	110.5	L28 F29 L45 R53 Y54	L28-L47 HydrophobicContact CD2-CD1 4.4Å; L28-L47 HydrophobicContact CD2-CD2 3.97Å; F29-L47 HydrophobicContact CD1-CD1 4.29Å; F29-L47 HydrophobicContact CE1-CD1 3.21Å; F29-L47 HydrophobicContact CZ-CD1 3.52Å; L45-L47 HydrophobicContact CB-CD1 4.43Å; L47-R53 CarbonylContact O-C 3.51Å; L47-R53 WeakPolarHBondContact O-CA 3.49Å; L47-Y54 PolarHBondContact N-O 3.46Å; L47-Y54 PolarHBondContact O-N 3.03Å
48	V	76.1	Confident	75.7	Confident	43 Å²	43	63 Å²	63	26%	0.261	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.2	175.3	-172.3	0	0	0	0	109.6	S52 R53 V283	V48-S52 CarbonylContact C-O 3.57Å; V48-S52 WeakPolarHBondContact CA-O 3.34Å; V48-R53 HydrophobicContact CG1-CG 4.35Å; V48-R53 HydrophobicContact CG2-CG 4.05Å; V48-V283 HydrophobicContact CB-CB 3.94Å; V48-V283 HydrophobicContact CB-CG1 4.45Å; V48-V283 HydrophobicContact CG1-CB 4.27Å; V48-V283 HydrophobicContact CG1-CG2 4.47Å; V48-V283 HydrophobicContact CG2-CB 4.06Å; V48-V283 HydrophobicContact CG2-CG1 4.01Å
49	Y	78.7	Confident	75.3	Confident	58 Å²	58	61.3 Å²	61.3	23%	0.227	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	127.2	173.7	177.7	-100.3	0	0	0	110.6	V18 F21 K51 S52	V18-Y49 HydrophobicContact CG2-CE1 4.33Å; V18-Y49 VanDerWaalsContact CG2-OH 3.23Å; V18-Y49 WeakPolarHBondContact CG2-OH 3.33Å; F21-Y49 HydrophobicContact CB-CD2 4.49Å; F21-Y49 HydrophobicContact CB-CE2 4.44Å; F21-Y49 AromaticContact CD1-CD1 3.74Å; F21-Y49 HydrophobicContact CD1-CD1 3.74Å; F21-Y49 HydrophobicContact CD1-CD2 4.4Å; F21-Y49 HydrophobicContact CD1-CE1 4.27Å; F21-Y49 AromaticContact CD1-CG 3.81Å; F21-Y49 HydrophobicContact CD1-CG 3.81Å; F21-Y49 AromaticContact CD2-CD2 3.91Å; F21-Y49 HydrophobicContact CD2-CD2 3.91Å; F21-Y49 AromaticContact CD2-CG 3.9Å; F21-Y49 HydrophobicContact CD2-CG 3.9Å; F21-Y49 AromaticContact CE1-CD1 3.9Å; F21-Y49 HydrophobicContact CE1-CD1 3.9Å; F21-Y49 AromaticContact CE1-CG 3.85Å; F21-Y49 HydrophobicContact CE1-CG 3.85Å; F21-Y49 VanDerWaalsContact CE2-CB 3.44Å; F21-Y49 HydrophobicContact CE2-CD2 4.29Å; F21-Y49 AromaticContact CE2-CG 3.95Å; F21-Y49 HydrophobicContact CE2-CG 3.95Å; F21-Y49 HydrophobicContact CG-CD1 4.13Å; F21-Y49 AromaticContact CG-CD2 3.99Å; F21-Y49 HydrophobicContact CG-CD2 3.99Å; F21-Y49 HydrophobicContact CG-CE2 4.39Å; F21-Y49 AromaticContact CG-CG 3.84Å; F21-Y49 HydrophobicContact CG-CG 3.84Å; F21-Y49 HydrophobicContact CZ-CD1 4.43Å; F21-Y49 AromaticContact CZ-CG 3.93Å; F21-Y49 HydrophobicContact CZ-CG 3.93Å; Y49-K51 PolarHBondContact O-N 2.97Å; Y49-S52 PolarHBondContact N-O 3.18Å; Y49-S52 WeakPolarHBondContact O-CA 3.46Å; Y49-S52 WeakPolarHBondContact O-CB 3.17Å; Y49-S52 PolarHBondContact O-N 2.94Å
50	N	78	Confident	74.2	Confident	112 Å²	112	60.1 Å²	60.1	60%	0.599	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	54.9	177.6	-166.4	28.1	0	0	0	113.5	S52	N50-S52 PolarHBondContact O-N 3.27Å
51	K	73.1	Confident	72.9	Confident	204 Å²	204	60.7 Å²	60.7	89%	0.887	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	-4.7	-176.1	-52.4	179.5	-179.7	-178.4	0	115.7	Y49	Y49-K51 PolarHBondContact O-N 2.97Å
52	S	68.6	Low	71.3	Confident	58 Å²	58	65.7 Å²	65.7	41%	0.406	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.6	173	-57.8	0	0	0	0	110.7	V48 Y49 N50	V48-S52 CarbonylContact C-O 3.57Å; V48-S52 WeakPolarHBondContact CA-O 3.34Å; Y49-S52 PolarHBondContact N-O 3.18Å; Y49-S52 WeakPolarHBondContact O-CA 3.46Å; Y49-S52 WeakPolarHBondContact O-CB 3.17Å; Y49-S52 PolarHBondContact O-N 2.94Å; N50-S52 PolarHBondContact O-N 3.27Å
53	R	75.7	Confident	69.6	Low	171 Å²	171	69 Å²	69	65%	0.645	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.9	175.6	-60.7	-173.9	-75.9	175	-9	109.5	L47 V48 Y55	L47-R53 CarbonylContact O-C 3.51Å; L47-R53 WeakPolarHBondContact O-CA 3.49Å; V48-R53 HydrophobicContact CG1-CG 4.35Å; V48-R53 HydrophobicContact CG2-CG 4.05Å; R53-Y55 HydrophobicContact CB-CE2 3.68Å; R53-Y55 WeakPolarHBondContact CD-OH 3.48Å; R53-Y55 PolarHBondContact NH1-OH 2.97Å
54	Y	77.8	Confident	67.8	Low	62 Å²	62	71.5 Å²	71.5	24%	0.243	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.4	178.7	-55.6	-89	0	0	0	108	F21 L47	F21-Y54 HydrophobicContact CE1-CD2 4.08Å; F21-Y54 AromaticContact CE1-CE2 3.51Å; F21-Y54 HydrophobicContact CE1-CE2 3.51Å; F21-Y54 AromaticContact CE1-CZ 3.86Å; F21-Y54 AromaticContact CZ-CD2 3.66Å; F21-Y54 HydrophobicContact CZ-CD2 3.66Å; F21-Y54 AromaticContact CZ-CE2 3.51Å; F21-Y54 HydrophobicContact CZ-CE2 3.51Å; L47-Y54 PolarHBondContact N-O 3.46Å; L47-Y54 PolarHBondContact O-N 3.03Å
55	Y	75.6	Confident	65.6	Low	114 Å²	114	71.6 Å²	71.6	45%	0.447	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146	-176.4	-62.6	-83.8	0	0	0	110.5	L45 S46 R53	L45-Y55 CarbonylContact O-C 3.59Å; L45-Y55 WeakPolarHBondContact O-CA 3.22Å; S46-Y55 WeakPolarHBondContact OG-CD1 3.28Å; S46-Y55 WeakPolarHBondContact OG-CE1 3.46Å; R53-Y55 HydrophobicContact CB-CE2 3.68Å; R53-Y55 WeakPolarHBondContact CD-OH 3.48Å; R53-Y55 PolarHBondContact NH1-OH 2.97Å
56	F	76.9	Confident	63.4	Low	11 Å²	11	79.2 Å²	79.2	5%	0.048	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.6	166.8	169.3	-84.1	0	0	0	107	F29 A32 L33 I43 T44 L45 F72	F29-F56 HydrophobicContact CB-CD2 4.23Å; F29-F56 HydrophobicContact CD1-CB 3.64Å; F29-F56 HydrophobicContact CD1-CD2 4.39Å; F29-F56 HydrophobicContact CD1-CG 4.16Å; F29-F56 HydrophobicContact CE1-CB 3.49Å; F29-F56 VanDerWaalsContact CE1-CB 3.49Å; F29-F56 HydrophobicContact CE1-CG 4.47Å; F29-F56 HydrophobicContact CE2-CB 4.47Å; F29-F56 HydrophobicContact CG-CB 4.18Å; F29-F56 HydrophobicContact CG-CD2 4.3Å; F29-F56 HydrophobicContact CZ-CB 3.95Å; A32-F56 HydrophobicContact CB-CD1 3.86Å; A32-F56 HydrophobicContact CB-CE1 3.46Å; A32-F56 VanDerWaalsContact CB-CE1 3.46Å; A32-F56 HydrophobicContact CB-CE2 4.44Å; A32-F56 HydrophobicContact CB-CZ 3.79Å; L33-F56 HydrophobicContact CB-CE2 4.23Å; L33-F56 HydrophobicContact CB-CZ 4.19Å; I43-F56 HydrophobicContact CB-CE1 4.27Å; I43-F56 HydrophobicContact CG2-CD1 4.44Å; I43-F56 HydrophobicContact CG2-CE1 4.19Å; T44-F56 CarbonylContact C-O 3.54Å; T44-F56 WeakPolarHBondContact CA-O 3.45Å; L45-F56 HydrophobicContact CB-CB 4.17Å; L45-F56 HydrophobicContact CD1-CB 4.48Å; L45-F56 HydrophobicContact CD1-CD1 4.19Å; L45-F56 HydrophobicContact CG-CD1 4.21Å; L45-F56 PolarHBondContact N-O 2.86Å; L45-F56 PolarHBondContact O-N 3.44Å; F56-F72 HydrophobicContact CD2-CD1 4.04Å; F56-F72 HydrophobicContact CD2-CE1 4.37Å; F56-F72 HydrophobicContact CE1-CE1 4.35Å; F56-F72 AromaticContact CE2-CD1 3.5Å; F56-F72 HydrophobicContact CE2-CD1 3.5Å; F56-F72 VanDerWaalsContact CE2-CD1 3.5Å; F56-F72 AromaticContact CE2-CE1 3.47Å; F56-F72 HydrophobicContact CE2-CE1 3.47Å; F56-F72 VanDerWaalsContact CE2-CE1 3.47Å; F56-F72 HydrophobicContact CE2-CG 4.39Å; F56-F72 HydrophobicContact CE2-CZ 4.4Å; F56-F72 AromaticContact CZ-CD1 3.97Å; F56-F72 HydrophobicContact CZ-CD1 3.97Å; F56-F72 AromaticContact CZ-CE1 3.46Å; F56-F72 HydrophobicContact CZ-CE1 3.46Å; F56-F72 VanDerWaalsContact CZ-CE1 3.46Å; F56-F72 HydrophobicContact CZ-CZ 4.3Å
57	S	76.6	Confident	61.4	Low	50 Å²	50	85.4 Å²	85.4	35%	0.35	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.3	171.5	177.5	0	0	0	0	107.5	I43 H59 F72	I43-S57 WeakPolarHBondContact O-CA 3.28Å; S57-H59 PolarHBondContact OG-N 3.28Å; S57-F72 WeakPolarHBondContact O-CD1 3.33Å; S57-F72 VanDerWaalsContact O-CE1 3.28Å; S57-F72 WeakPolarHBondContact O-CE1 3.48Å
58	S	71.4	Confident	59.4	Low	8 Å²	8	88.6 Å²	88.6	6%	0.056	49%	0.491	C	S	.	.			trans	-88.9	-6.9	170.9	70.6	0	0	0	0	114.1	H36 E42 I43 G60	H36-S58 VanDerWaalsContact CG-CB 3.44Å; H36-S58 WeakPolarHBondContact ND1-CB 3.25Å; H36-S58 PolarHBondContact ND1-OG 2.93Å; E42-S58 WeakPolarHBondContact CA-OG 3.37Å; I43-S58 PolarHBondContact N-OG 3.29Å; I43-S58 PolarHBondContact O-N 3.34Å; S58-G60 PolarHBondContact O-N 2.94Å
59	H	69.3	Low	57.4	Low	93 Å²	93	93.4 Å²	93.4	43%	0.431	51%	0.514	S	S	.	.			trans	-79.5	108.5	170.8	-172.9	-80.2	0	0	0	108.2	E42 S57 G61	E42-H59 IonicContact OE1-CD2 2.67Å; S57-H59 PolarHBondContact OG-N 3.28Å; H59-G61 PolarHBondContact O-N 3.36Å
60	G	55.5	Low	55.5	Low	28 Å²	28	94.7 Å²	94.7	29%	0.289	52%	0.524	S	S	.	.			trans	-65.5	128.1	163	0	0	0	0	0	107.7	S58 T62	S58-G60 PolarHBondContact O-N 2.94Å; G60-T62 PolarHBondContact O-N 3.49Å
61	G	48.3	Very low	53.5	Low	54 Å²	54	94.7 Å²	94.7	56%	0.557	53%	0.529	S	S	*	.			trans	-55.1	108	169.8	0	0	0	0	0	107.9	H59 D63	H59-G61 PolarHBondContact O-N 3.36Å; G61-D63 WeakPolarHBondContact CA-OD1 3.44Å; G61-D63 PolarHBondContact O-N 3.38Å
62	T	41.4	Very low	52.2	Low	107 Å²	107	86.6 Å²	86.6	66%	0.656	49%	0.494	S	S	*	.			trans	-87.7	59.3	177.8	40.8	0	0	0	0	108.7	G60 G64	G60-T62 PolarHBondContact O-N 3.49Å; T62-G64 PolarHBondContact O-N 2.94Å
63	D	41.4	Very low	50.9	Low	154 Å²	154	91.8 Å²	91.8	82%	0.824	51%	0.511	S	S	*	.			trans	-84.7	72.4	161.7	22.3	-31.9	0	0	0	108.6	G61	G61-D63 WeakPolarHBondContact CA-OD1 3.44Å; G61-D63 PolarHBondContact O-N 3.38Å
64	G	34.6	Very low	49.3	Very low	59 Å²	59	90 Å²	90	61%	0.608	51%	0.505	S	S	*	.	S	Bend	trans	79.3	109.3	157	0	0	0	0	0	117.7	T62	T62-G64 PolarHBondContact O-N 2.94Å
65	G	30.8	Very low	47.3	Very low	59 Å²	59	92.7 Å²	92.7	61%	0.608	53%	0.529	S	S	*	.	S	Bend	trans	76.1	153.3	154.4	0	0	0	0	0	116.1
66	E	32.2	Very low	45.1	Very low	171 Å²	171	96.3 Å²	96.3	80%	0.799	55%	0.546	S	S	*	.	S	Bend	trans	55.5	101.1	164.7	48.4	-82.6	-179.1	0	0	120.5
67	D	31.8	Very low	43	Very low	157 Å²	157	104 Å²	104	84%	0.84	58%	0.582	S	S	*	*			trans	53.1	70.1	147.8	-84.9	-14.5	0	0	0	117.9	I69	D67-I69 PolarHBondContact O-N 2.94Å
68	V	34.8	Very low	40.8	Very low	88 Å²	88	107.8 Å²	107.8	53%	0.533	59%	0.593	S	S	.	*			trans	-75.4	69.6	169.5	-168.7	0	0	0	0	110.6	N70	V68-N70 PolarHBondContact O-N 2.87Å
69	I	33.4	Very low	38.8	Very low	144 Å²	144	116.1 Å²	116.1	74%	0.738	63%	0.631	S	S	*	*			trans	-69.1	83.3	149.8	-62.7	177	0	0	0	106.2	D67 T71	D67-I69 PolarHBondContact O-N 2.94Å; I69-T71 PolarHBondContact O-N 2.68Å
70	N	37.5	Very low	36.9	Very low	84 Å²	84	120 Å²	120	45%	0.449	65%	0.647	S	S	.	*			trans	37.5	56.2	143.6	-79.6	-16.7	0	0	0	116.4	V68 F72	V68-N70 PolarHBondContact O-N 2.87Å; N70-F72 VanDerWaalsContact C-N 3.29Å; N70-F72 HydrophobicContact CB-CD2 4.14Å; N70-F72 HydrophobicContact CB-CE2 3.63Å; N70-F72 WeakPolarHBondContact O-CD2 3.36Å; N70-F72 PolarHBondContact O-N 3.4Å
71	T	37.5	Very low	35.6	Very low	113 Å²	113	127 Å²	127	69%	0.693	67%	0.669	S	S	*	*			trans	-79.4	83.6	168.4	-62.7	0	0	0	0	108.8	I69 H73	I69-T71 PolarHBondContact O-N 2.68Å; T71-H73 PolarHBondContact O-N 2.79Å
72	F	45.3	Very low	34.7	Very low	34 Å²	34	129.1 Å²	129.1	15%	0.149	68%	0.682	C	S	.	*			trans	-68.3	111.5	168.3	-68.3	-87.9	0	0	0	108.5	L33 F56 S57 N70 Y74	L33-F72 HydrophobicContact CD1-CD2 4.19Å; L33-F72 HydrophobicContact CD1-CE1 4.14Å; L33-F72 HydrophobicContact CD1-CE2 3.23Å; L33-F72 HydrophobicContact CD1-CZ 3.24Å; L33-F72 HydrophobicContact CG-CE2 4.5Å; F56-F72 HydrophobicContact CD2-CD1 4.04Å; F56-F72 HydrophobicContact CD2-CE1 4.37Å; F56-F72 HydrophobicContact CE1-CE1 4.35Å; F56-F72 AromaticContact CE2-CD1 3.5Å; F56-F72 HydrophobicContact CE2-CD1 3.5Å; F56-F72 VanDerWaalsContact CE2-CD1 3.5Å; F56-F72 AromaticContact CE2-CE1 3.47Å; F56-F72 HydrophobicContact CE2-CE1 3.47Å; F56-F72 VanDerWaalsContact CE2-CE1 3.47Å; F56-F72 HydrophobicContact CE2-CG 4.39Å; F56-F72 HydrophobicContact CE2-CZ 4.4Å; F56-F72 AromaticContact CZ-CD1 3.97Å; F56-F72 HydrophobicContact CZ-CD1 3.97Å; F56-F72 AromaticContact CZ-CE1 3.46Å; F56-F72 HydrophobicContact CZ-CE1 3.46Å; F56-F72 VanDerWaalsContact CZ-CE1 3.46Å; F56-F72 HydrophobicContact CZ-CZ 4.3Å; S57-F72 WeakPolarHBondContact O-CD1 3.33Å; S57-F72 VanDerWaalsContact O-CE1 3.28Å; S57-F72 WeakPolarHBondContact O-CE1 3.48Å; N70-F72 VanDerWaalsContact C-N 3.29Å; N70-F72 HydrophobicContact CB-CD2 4.14Å; N70-F72 HydrophobicContact CB-CE2 3.63Å; N70-F72 WeakPolarHBondContact O-CD2 3.36Å; N70-F72 PolarHBondContact O-N 3.4Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 HydrophobicContact CB-CD2 4.34Å; F72-Y74 HydrophobicContact CB-CE2 4.06Å; F72-Y74 VanDerWaalsContact O-CD2 3.3Å; F72-Y74 WeakPolarHBondContact O-CD2 3.5Å; F72-Y74 PolarHBondContact O-N 3Å
73	H	40.6	Very low	34	Very low	166 Å²	166	129.1 Å²	129.1	77%	0.769	69%	0.685	S	S	*	*			trans	-68.6	87.6	-179.5	-117.1	-93.2	0	0	0	111.1	T71 T75	T71-H73 PolarHBondContact O-N 2.79Å; H73-T75 PolarHBondContact O-N 2.86Å
74	Y	42.5	Very low	33.6	Very low	134 Å²	134	130.9 Å²	130.9	53%	0.525	69%	0.688	S	S	.	*			trans	-72	102.9	166	-76.9	-89.3	0	0	0	108.7	F29 F72 K76	F29-Y74 HydrophobicContact CD2-CE1 4.49Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 HydrophobicContact CB-CD2 4.34Å; F72-Y74 HydrophobicContact CB-CE2 4.06Å; F72-Y74 VanDerWaalsContact O-CD2 3.3Å; F72-Y74 WeakPolarHBondContact O-CD2 3.5Å; F72-Y74 PolarHBondContact O-N 3Å; Y74-K76 PolarHBondContact O-N 2.92Å
75	T	36.5	Very low	33.4	Very low	119 Å²	119	133 Å²	133	73%	0.73	69%	0.694	S	S	*	*			trans	-66.3	97.3	172.5	-0.9	0	0	0	0	109.2	H73	H73-T75 PolarHBondContact O-N 2.86Å
76	K	29.9	Very low	33.6	Very low	189 Å²	189	138 Å²	138	82%	0.822	71%	0.706	S	S	*	*	S	Bend	trans	34.7	89.4	165.5	-62.6	-174.1	179.3	-178.6	0	115.4	Y74	Y74-K76 PolarHBondContact O-N 2.92Å
77	H	31.8	Very low	33.5	Very low	174 Å²	174	137.9 Å²	137.9	81%	0.806	71%	0.711	S	S	*	*	S	Bend		-177.8	-3.8	128.3	-108.9	-71.9	0	0	0	118
78	F	30.3	Very low	33.5	Very low	128 Å²	128	134.9 Å²	134.9	56%	0.561	70%	0.7	S	S	*	*			trans	-144.2	107	178.9	-90.9	-91.1	0	0	0	111.6
79	Q	28.7	Very low	33.3	Very low	183 Å²	183	139.5 Å²	139.5	86%	0.855	72%	0.715	S	S	*	*			trans	-76.5	116.4	162.5	-66.8	-174	13.3	0	0	107.9
80	F	30.4	Very low	32.9	Very low	175 Å²	175	137 Å²	137	77%	0.768	71%	0.711	S	S	*	*			trans	-90.1	101.3	153.9	-91.2	-85.1	0	0	0	106.7	A82	F80-A82 PolarHBondContact O-N 3.31Å; F80-A82 VanDerWaalsContact O-N 3.17Å
81	K	28	Very low	32.4	Very low	174 Å²	174	138.9 Å²	138.9	76%	0.757	73%	0.728	S	S	*	*			trans	-70.4	105.1	164.6	-145.6	174.6	-172.6	-179.6	0	106	C83	K81-C83 PolarHBondContact O-N 3.26Å
82	A	29.7	Very low	31.9	Very low	100 Å²	100	140.4 Å²	140.4	83%	0.826	73%	0.733	S	S	*	*			trans	-69	91.9	162.4	0	0	0	0	0	106.2	F80 E84	F80-A82 PolarHBondContact O-N 3.31Å; F80-A82 VanDerWaalsContact O-N 3.17Å; A82-E84 PolarHBondContact O-N 3.1Å; A82-E84 VanDerWaalsContact O-N 3.15Å
83	C	27.5	Very low	31.3	Very low	106 Å²	106	147.4 Å²	147.4	72%	0.716	77%	0.766	S	S	*	*			trans	-75	98	165.3	-79.5	0	0	0	0	107.2	K81 S85	K81-C83 PolarHBondContact O-N 3.26Å; C83-S85 PolarHBondContact O-N 3.33Å
84	E	31.5	Very low	30.8	Very low	191 Å²	191	145.8 Å²	145.8	89%	0.893	77%	0.768	S	S	*	*			trans	-62	122.2	150.6	-104.3	172.2	162.6	0	0	107.7	A82 N86	A82-E84 PolarHBondContact O-N 3.1Å; A82-E84 VanDerWaalsContact O-N 3.15Å; E84-N86 PolarHBondContact O-N 3.2Å
85	S	30	Very low	30.2	Very low	105 Å²	105	146.8 Å²	146.8	73%	0.734	78%	0.782	S	S	*	*			trans	-71.1	109.5	179.3	49.2	0	0	0	0	110.2	C83	C83-S85 PolarHBondContact O-N 3.33Å
86	N	34.7	Very low	29.8	Very low	163 Å²	163	147.6 Å²	147.6	87%	0.872	79%	0.791	S	S	*	*			trans	-154.2	94.5	141.9	-81.5	-36	0	0	0	108.1	E84	E84-N86 PolarHBondContact O-N 3.2Å
87	L	30.3	Very low	30.1	Very low	169 Å²	169	144.2 Å²	144.2	89%	0.885	79%	0.791	S	S	*	*			trans	11.7	162.7	148.2	-130.8	69.8	0	0	0	120.4
88	P	33.4	Very low	30	Very low	94 Å²	94	140.5 Å²	140.5	61%	0.61	79%	0.785	S	S	*	*				-126.3	155.1	-61.3	35.4	-21	0	0	0	112.1
89	H	29.3	Very low	30.4	Very low	184 Å²	184	144.5 Å²	144.5	85%	0.852	80%	0.802	S	S	*	*			trans	-179	126.5	134.3	-103.2	-29.5	0	0	0	113.1
90	S	25.5	Very low	30.4	Very low	93 Å²	93	142.9 Å²	142.9	65%	0.65	80%	0.798	S	S	*	*			trans	47.1	96	140.9	-158.1	0	0	0	0	117.9
91	C	28	Very low	30.5	Very low	122 Å²	122	140 Å²	140	82%	0.824	80%	0.8	S	S	*	*			trans	-134.2	100.4	152.7	-75.5	0	0	0	0	108.4	E93	C91-E93 PolarHBondContact O-N 2.93Å
92	N	25.9	Very low	30.5	Very low	146 Å²	146	137.7 Å²	137.7	78%	0.781	80%	0.796	S	S	*	*			trans	-81.8	94.9	166.1	-60.1	-28.5	0	0	0	107.3
93	E	33.7	Very low	30.8	Very low	181 Å²	181	140.4 Å²	140.4	85%	0.846	80%	0.797	S	S	*	*			trans	-134.9	92.6	166.7	-70.4	-164.2	179.6	0	0	110.4	C91 N95	C91-E93 PolarHBondContact O-N 2.93Å; E93-N95 PolarHBondContact O-N 3.28Å; E93-N95 VanDerWaalsContact O-N 3.13Å
94	T	29.3	Very low	30.9	Very low	132 Å²	132	141.7 Å²	141.7	81%	0.81	80%	0.796	S	S	*	*			trans	-47.5	101.3	158.6	47.4	0	0	0	0	110.5
95	N	30.1	Very low	30.8	Very low	155 Å²	155	141 Å²	141	83%	0.829	79%	0.793	S	S	*	*			trans	-172.8	29.8	152.6	-93.4	-20	0	0	0	114.7	E93 S97	E93-N95 PolarHBondContact O-N 3.28Å; E93-N95 VanDerWaalsContact O-N 3.13Å; N95-S97 PolarHBondContact O-N 3.22Å
96	C	27.7	Very low	30.9	Very low	135 Å²	135	141.1 Å²	141.1	91%	0.912	79%	0.794	S	S	*	*			trans	-90.3	92.7	163.2	-95.9	0	0	0	0	109.2	S98	C96-S98 PolarHBondContact O-N 3.22Å
97	S	35.5	Very low	30.5	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	79%	0.789	S	S	*	*			trans	-58.7	118.6	179.3	-54.9	0	0	0	0	112	N95	N95-S97 PolarHBondContact O-N 3.22Å
98	S	30.7	Very low	30.7	Very low	95 Å²	95	135.5 Å²	135.5	66%	0.664	78%	0.779	S	S	*	*			trans	-71.6	141.4	163.3	47.3	0	0	0	0	110.8	C96	C96-S98 PolarHBondContact O-N 3.22Å
99	K	37.8	Very low	30.6	Very low	213 Å²	213	139.9 Å²	139.9	93%	0.926	79%	0.788	S	S	*	*			trans	-133.7	101.7	146.3	-80.8	-167.8	178.1	178.8	0	109
100	L	29	Very low	30.5	Very low	149 Å²	149	137.8 Å²	137.8	78%	0.78	78%	0.783	S	S	*	*			trans	-55.9	145.6	157.5	-90.8	70.7	0	0	0	110.3
101	S	33.4	Very low	30.6	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	79%	0.79	S	S	*	*			trans	-159.4	113.3	130.9	-173.5	0	0	0	0	109.7
102	N	27.7	Very low	30.5	Very low	125 Å²	125	141.3 Å²	141.3	67%	0.668	79%	0.785	S	S	*	*			trans	-60.2	149.8	164.9	-72.2	-25.6	0	0	0	110.4
103	N	36.7	Very low	30.6	Very low	157 Å²	157	138.9 Å²	138.9	84%	0.84	78%	0.78	S	S	*	*			trans	-160.2	136.8	133.6	-94.7	-17.4	0	0	0	111.1
104	N	28.9	Very low	30.6	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	78%	0.78	S	S	*	*			trans	-73.2	146.1	-168.2	-54.9	-47.1	0	0	0	112.7
105	H	30.4	Very low	30.6	Very low	176 Å²	176	140.1 Å²	140.1	82%	0.815	78%	0.778	S	S	*	*				175.4	133.9	107.1	-109.3	-86.4	0	0	0	113.9
106	S	30.4	Very low	30.6	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	78%	0.775	S	S	*	*			trans	64.8	106	150.9	54.5	0	0	0	0	121.6
107	S	27.8	Very low	30.5	Very low	111 Å²	111	143.1 Å²	143.1	78%	0.776	77%	0.769	S	S	*	*			trans	-70.3	-164.7	156.4	56.7	0	0	0	0	113
108	P	33.6	Very low	30.4	Very low	102 Å²	102	142.7 Å²	142.7	66%	0.662	77%	0.766	S	S	*	*				-134.6	-174.2	-54.5	33.4	-14	0	0	0	111.9
109	K	30.8	Very low	30.2	Very low	187 Å²	187	147.9 Å²	147.9	81%	0.813	78%	0.777	S	S	*	*			trans	142	142.2	149.9	-76.2	159.2	-172.6	-178.4	0	110
110	N	27.6	Very low	29.7	Very low	139 Å²	139	143.8 Å²	143.8	74%	0.743	77%	0.772	S	S	*	*			cis	-166.3	164.7	-13.7	-95.7	-8	0	0	0	105.8
111	E	26.8	Very low	29.5	Very low	169 Å²	169	144 Å²	144	79%	0.79	77%	0.773	S	S	*	*			trans	-37.8	157.5	172.7	-60.3	153.6	149.4	0	0	114.4
112	T	27.4	Very low	29.2	Very low	120 Å²	120	145 Å²	145	74%	0.736	77%	0.767	S	S	*	*				180	143.2	61	-34	0	0	0	0	109.5
113	S	27.5	Very low	29.2	Very low	95 Å²	95	145 Å²	145	66%	0.664	77%	0.767	S	S	*	*			trans	26.1	135.3	147.3	65.9	0	0	0	0	122.1
114	I	34	Very low	28.7	Very low	165 Å²	165	142.5 Å²	142.5	85%	0.846	76%	0.761	S	S	*	*				-160.6	130.8	120.3	-91.9	144.8	0	0	0	109.7
115	K	28.2	Very low	28.8	Very low	175 Å²	175	141.6 Å²	141.6	76%	0.761	76%	0.761	S	S	*	*			trans	-75.4	174.2	-178	-74.9	173.8	170.9	175	0	113.2
116	R	29.8	Very low	28.8	Very low	208 Å²	208	139.5 Å²	139.5	79%	0.785	76%	0.756	S	S	*	*			trans	95.4	141.8	148	-49.9	-176.7	-162.8	108.8	-3.1	114.5
117	N	27.5	Very low	28.9	Very low	144 Å²	144	142 Å²	142	77%	0.77	76%	0.76	S	S	*	*			cis	-170.3	172.6	-21.9	-105	-7.3	0	0	0	105
118	S	32.1	Very low	28.8	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	77%	0.765	S	S	*	*			trans	77.7	101.7	154	62.5	0	0	0	0	118.9
119	F	26.2	Very low	28.6	Very low	204 Å²	204	143 Å²	143	90%	0.895	77%	0.765	S	S	*	*			trans	-69.9	153.3	141.1	-72.5	-88.5	0	0	0	109
120	P	27.6	Very low	28.4	Very low	128 Å²	128	143.6 Å²	143.6	83%	0.831	77%	0.767	S	S	*	*				-135.7	160.2	113.2	11.9	10.4	0	0	0	115.2
121	L	25.7	Very low	28.5	Very low	152 Å²	152	147.6 Å²	147.6	80%	0.796	77%	0.773	S	S	*	*			trans	-81.9	165.3	-175.1	-159	74.8	0	0	0	112.5
122	M	26.7	Very low	28.4	Very low	138 Å²	138	149 Å²	149	68%	0.68	78%	0.777	S	S	*	*			trans	99.4	117.3	150.2	-67.6	-91.7	83.2	0	0	120.1
123	N	27.6	Very low	28.7	Very low	124 Å²	124	151.7 Å²	151.7	66%	0.663	78%	0.775	S	S	*	*			trans	97.7	93	131.8	-62.3	-10.8	0	0	0	120.3
124	S	26.2	Very low	29	Very low	104 Å²	104	156 Å²	156	73%	0.727	78%	0.781	S	S	*	*				22.3	112.4	118.1	-161.9	0	0	0	0	116.7
125	T	31.2	Very low	28.8	Very low	114 Å²	114	155.1 Å²	155.1	70%	0.699	78%	0.778	S	S	*	*				-171	125.3	108.9	23.1	0	0	0	0	109.8
126	N	30.8	Very low	29.6	Very low	133 Å²	133	151.8 Å²	151.8	71%	0.711	77%	0.773	S	S	*	*			trans	49.7	100.2	141.4	-47.6	-16.4	0	0	0	117.3
127	N	31	Very low	30.4	Very low	159 Å²	159	151.8 Å²	151.8	85%	0.85	78%	0.779	S	S	*	*			trans	-151.4	103.4	135.2	-90.8	-30.6	0	0	0	109.9	T129	N127-T129 PolarHBondContact O-N 3.33Å; N127-T129 VanDerWaalsContact O-N 3.15Å
128	C	26.5	Very low	31.7	Very low	129 Å²	129	146.8 Å²	146.8	87%	0.872	75%	0.752	S	S	*	*			trans	-61.2	106.2	168.4	-179.5	0	0	0	0	108.9
129	T	30.1	Very low	33.3	Very low	107 Å²	107	145.2 Å²	145.2	66%	0.656	74%	0.738	S	S	*	*			trans	-101.3	109.5	166.5	41.9	0	0	0	0	109.5	N127 Y131	N127-T129 PolarHBondContact O-N 3.33Å; N127-T129 VanDerWaalsContact O-N 3.15Å; T129-Y131 PolarHBondContact O-N 2.85Å
130	K	25.7	Very low	35.3	Very low	198 Å²	198	139.9 Å²	139.9	86%	0.861	73%	0.726	S	S	*	*			trans	-25.5	107.6	168.4	-66.3	172.4	176.9	174.6	0	113.5	K132	K130-K132 PolarHBondContact O-N 3.3Å
131	Y	28.9	Very low	37.3	Very low	224 Å²	224	140.1 Å²	140.1	88%	0.878	72%	0.716	S	S	*	*			trans	-77.6	111.1	164.2	-71.1	-78.9	0	0	0	109.1	T129 Y133	T129-Y131 PolarHBondContact O-N 2.85Å; Y131-Y133 PolarHBondContact O-N 2.82Å; Y131-Y133 VanDerWaalsContact O-N 3.1Å
132	K	26.3	Very low	39.1	Very low	199 Å²	199	137.4 Å²	137.4	87%	0.865	70%	0.699	S	S	*	*			trans	-61.2	106.4	171.8	-76.5	-179	174.2	178.1	0	109.5	K130 K134	K130-K132 PolarHBondContact O-N 3.3Å; K132-K134 PolarHBondContact O-N 2.74Å
133	Y	32.2	Very low	40.7	Very low	175 Å²	175	138 Å²	138	69%	0.686	69%	0.694	S	S	*	*			trans	-69	111.6	166	-167.5	-94.7	0	0	0	108.2	Y131 N135	Y131-Y133 PolarHBondContact O-N 2.82Å; Y131-Y133 VanDerWaalsContact O-N 3.1Å; Y133-N135 VanDerWaalsContact CD1-OD1 3.27Å; Y133-N135 WeakPolarHBondContact CD1-OD1 3.06Å; Y133-N135 PolarHBondContact O-N 3.44Å
134	K	34.9	Very low	42.6	Very low	185 Å²	185	135.4 Å²	135.4	80%	0.804	68%	0.679	S	S	*	*			trans	-75	111	168.6	-73.1	-176.1	177.6	-178.7	0	107.1	K132 T136	K132-K134 PolarHBondContact O-N 2.74Å; K134-T136 PolarHBondContact O-N 2.89Å
135	N	29.9	Very low	44.4	Very low	147 Å²	147	132.5 Å²	132.5	79%	0.786	66%	0.662	S	S	*	*			trans	-65.3	89.8	174	-77.5	-25.5	0	0	0	110.2	Y133	Y133-N135 VanDerWaalsContact CD1-OD1 3.27Å; Y133-N135 WeakPolarHBondContact CD1-OD1 3.06Å; Y133-N135 PolarHBondContact O-N 3.44Å
136	T	45.5	Very low	46	Very low	106 Å²	106	131.1 Å²	131.1	65%	0.65	65%	0.65	S	S	*	*			trans	-85.3	136.3	156.5	50.1	0	0	0	0	108.1	K134 L138	K134-T136 PolarHBondContact O-N 2.89Å; T136-L138 VanDerWaalsContact C-N 3.3Å; T136-L138 PolarHBondContact O-N 3.27Å
137	K	45.8	Very low	48	Very low	207 Å²	207	129 Å²	129	90%	0.9	64%	0.638	S	S	*	*			trans	-72	88.6	-178.3	-150	175.2	-171.6	-179.5	0	107.9
138	L	53.9	Low	49.7	Very low	39 Å²	39	127.2 Å²	127.2	20%	0.204	62%	0.619	C	S	.	*			trans	-63.4	132.6	-177.1	-156.4	71.1	0	0	0	110.3	T136 E142 R143 N146	T136-L138 VanDerWaalsContact C-N 3.3Å; T136-L138 PolarHBondContact O-N 3.27Å; L138-E142 HydrophobicContact CD1-CB 3.71Å; L138-E142 HydrophobicContact CD1-CG 4.33Å; L138-E142 WeakPolarHBondContact CD1-OE2 3.5Å; L138-E142 HydrophobicContact CD2-CB 3.98Å; L138-E142 HydrophobicContact CG-CB 3.5Å; L138-E142 VanDerWaalsContact CG-CB 3.5Å; L138-R143 HydrophobicContact CB-CG 3.96Å; L138-R143 HydrophobicContact CD2-CB 4.42Å; L138-R143 HydrophobicContact CD2-CG 3.74Å; L138-R143 HydrophobicContact CG-CG 4.08Å; L138-N146 VanDerWaalsContact CD2-ND2 3.33Å; L138-N146 WeakPolarHBondContact CD2-ND2 3.35Å
139	T	67.4	Low	51.8	Low	77 Å²	77	129.4 Å²	129.4	47%	0.472	61%	0.611	S	S	.	*			trans	-64.2	158.3	177.9	61.3	0	0	0	0	110.8	E141 E142 R143	T139-E141 PolarHBondContact O-N 3.42Å; T139-E142 WeakPolarHBondContact CB-OE2 3.28Å; T139-E142 PolarHBondContact N-OE2 3.33Å; T139-E142 PolarHBondContact O-N 3.25Å; T139-E142 WeakPolarHBondContact OG1-CB 3.47Å; T139-E142 WeakPolarHBondContact OG1-CG 3.46Å; T139-E142 PolarHBondContact OG1-N 3.43Å; T139-E142 PolarHBondContact OG1-OE2 2.93Å; T139-R143 WeakPolarHBondContact O-CG 3.16Å; T139-R143 PolarHBondContact O-N 3Å
140	S	67.4	Low	53.8	Low	93 Å²	93	129.9 Å²	129.9	65%	0.65	61%	0.609	S	S	*	*	H	α-helix	trans	-57.3	-37.7	180	49	0	0	0	0	112.6	L144	S140-L144 WeakPolarHBondContact O-CB 3.5Å; S140-L144 PolarHBondContact O-N 3.39Å
141	E	69	Low	56.3	Low	132 Å²	132	125 Å²	125	62%	0.617	59%	0.591	S	S	*	*	H	α-helix	trans	-66.9	-45.7	177.5	-72.6	-62.8	144	0	0	112.5	T139 R143 L144 A145	T139-E141 PolarHBondContact O-N 3.42Å; E141-R143 VanDerWaalsContact C-N 3.33Å; E141-R143 PolarHBondContact O-N 3.5Å; E141-L144 WeakPolarHBondContact O-CB 3.38Å; E141-L144 PolarHBondContact O-N 3.39Å; E141-A145 PolarHBondContact O-N 3.42Å
142	E	64	Low	58.3	Low	96 Å²	96	118.7 Å²	118.7	45%	0.449	58%	0.576	S	S	.	*	H	α-helix	trans	-66.2	-36.1	177.3	-73.5	168.6	141.8	0	0	111.9	L138 T139 L144 A145 N146	L138-E142 HydrophobicContact CD1-CB 3.71Å; L138-E142 HydrophobicContact CD1-CG 4.33Å; L138-E142 WeakPolarHBondContact CD1-OE2 3.5Å; L138-E142 HydrophobicContact CD2-CB 3.98Å; L138-E142 HydrophobicContact CG-CB 3.5Å; L138-E142 VanDerWaalsContact CG-CB 3.5Å; T139-E142 WeakPolarHBondContact CB-OE2 3.28Å; T139-E142 PolarHBondContact N-OE2 3.33Å; T139-E142 PolarHBondContact O-N 3.25Å; T139-E142 WeakPolarHBondContact OG1-CB 3.47Å; T139-E142 WeakPolarHBondContact OG1-CG 3.46Å; T139-E142 PolarHBondContact OG1-N 3.43Å; T139-E142 PolarHBondContact OG1-OE2 2.93Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-A145 PolarHBondContact O-N 3.42Å; E142-N146 WeakPolarHBondContact O-CB 3.26Å; E142-N146 PolarHBondContact O-N 2.88Å
143	R	59.7	Low	60.3	Low	150 Å²	150	112.8 Å²	112.8	57%	0.566	55%	0.553	S	S	*	*	H	α-helix	trans	-59.8	-46.5	171	-74.6	176.2	164.7	-173.7	-5.7	110.8	L138 T139 E141 N146 I147	L138-R143 HydrophobicContact CB-CG 3.96Å; L138-R143 HydrophobicContact CD2-CB 4.42Å; L138-R143 HydrophobicContact CD2-CG 3.74Å; L138-R143 HydrophobicContact CG-CG 4.08Å; T139-R143 WeakPolarHBondContact O-CG 3.16Å; T139-R143 PolarHBondContact O-N 3Å; E141-R143 VanDerWaalsContact C-N 3.33Å; E141-R143 PolarHBondContact O-N 3.5Å; R143-N146 PolarHBondContact O-N 2.9Å; R143-I147 VanDerWaalsContact O-CG1 3.26Å; R143-I147 WeakPolarHBondContact O-CG1 3.36Å; R143-I147 PolarHBondContact O-N 2.99Å
144	L	69.1	Low	62.4	Low	69 Å²	69	108.8 Å²	108.8	36%	0.361	54%	0.541	S	S	.	.	H	α-helix	trans	-65.2	-41.1	179.5	-170.5	65.5	0	0	0	111.9	S140 E141 E142 I147 R148	S140-L144 WeakPolarHBondContact O-CB 3.5Å; S140-L144 PolarHBondContact O-N 3.39Å; E141-L144 WeakPolarHBondContact O-CB 3.38Å; E141-L144 PolarHBondContact O-N 3.39Å; E142-L144 VanDerWaalsContact C-N 3.34Å; L144-I147 PolarHBondContact O-N 2.91Å; L144-R148 WeakPolarHBondContact O-CB 3.24Å; L144-R148 VanDerWaalsContact O-CG 3.26Å; L144-R148 WeakPolarHBondContact O-CG 3.38Å; L144-R148 PolarHBondContact O-N 3.17Å
145	A	62.9	Low	64.3	Low	44 Å²	44	104.8 Å²	104.8	36%	0.364	53%	0.528	S	S	.	.	H	α-helix	trans	-62.7	-42.3	175.7	0	0	0	0	0	112.1	E141 E142 R148 Y149	E141-A145 PolarHBondContact O-N 3.42Å; E142-A145 PolarHBondContact O-N 3.42Å; A145-R148 PolarHBondContact O-N 3.22Å; A145-Y149 PolarHBondContact O-N 3.49Å
146	N	65.5	Low	66.5	Low	84 Å²	84	103.4 Å²	103.4	45%	0.449	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-43.5	174.9	-79.1	-15.5	0	0	0	111.8	L138 E142 R143 R148 Y149 L150	L138-N146 VanDerWaalsContact CD2-ND2 3.33Å; L138-N146 WeakPolarHBondContact CD2-ND2 3.35Å; E142-N146 WeakPolarHBondContact O-CB 3.26Å; E142-N146 PolarHBondContact O-N 2.88Å; R143-N146 PolarHBondContact O-N 2.9Å; N146-R148 PolarHBondContact O-N 2.82Å; N146-Y149 PolarHBondContact O-N 2.8Å; N146-L150 VanDerWaalsContact O-CG 3.27Å; N146-L150 WeakPolarHBondContact O-CG 3.4Å; N146-L150 PolarHBondContact O-N 2.91Å
147	I	73.3	Confident	67.9	Low	89 Å²	89	102.7 Å²	102.7	46%	0.456	50%	0.503	S	S	.	.	H	α-helix	trans	-60.8	-45.6	175.4	-69.5	165.1	0	0	0	110.5	R143 L144 Y149 L150 I151	R143-I147 VanDerWaalsContact O-CG1 3.26Å; R143-I147 WeakPolarHBondContact O-CG1 3.36Å; R143-I147 PolarHBondContact O-N 2.99Å; L144-I147 PolarHBondContact O-N 2.91Å; I147-Y149 VanDerWaalsContact C-N 3.33Å; I147-Y149 PolarHBondContact O-N 3.26Å; I147-L150 PolarHBondContact O-N 3.44Å; I147-I151 HydrophobicContact CG2-CD1 3.77Å; I147-I151 HydrophobicContact CG2-CG1 4.42Å; I147-I151 VanDerWaalsContact O-CG1 3.3Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.47Å
148	R	65.8	Low	69.3	Low	122 Å²	122	97.3 Å²	97.3	46%	0.46	48%	0.481	S	S	.	.	H	α-helix	trans	-58.1	-44.9	176.1	-74.6	171.2	178.9	172.6	0.9	111.6	L144 A145 N146 I151 V152	L144-R148 WeakPolarHBondContact O-CB 3.24Å; L144-R148 VanDerWaalsContact O-CG 3.26Å; L144-R148 WeakPolarHBondContact O-CG 3.38Å; L144-R148 PolarHBondContact O-N 3.17Å; A145-R148 PolarHBondContact O-N 3.22Å; N146-R148 PolarHBondContact O-N 2.82Å; R148-I151 PolarHBondContact O-N 3.18Å; R148-V152 WeakPolarHBondContact O-CG2 3.34Å; R148-V152 PolarHBondContact O-N 3.26Å
149	Y	71.4	Confident	70.1	Confident	175 Å²	175	98 Å²	98	69%	0.686	49%	0.492	S	S	*	.	H	α-helix	trans	-62.3	-43.8	177.1	-111	-78.6	0	0	0	112.5	A145 N146 I147 I151 V152 D153	A145-Y149 PolarHBondContact O-N 3.49Å; N146-Y149 PolarHBondContact O-N 2.8Å; I147-Y149 VanDerWaalsContact C-N 3.33Å; I147-Y149 PolarHBondContact O-N 3.26Å; Y149-I151 VanDerWaalsContact C-N 3.34Å; Y149-I151 PolarHBondContact O-N 2.9Å; Y149-V152 PolarHBondContact O-N 3.41Å; Y149-D153 WeakPolarHBondContact O-CB 3.3Å; Y149-D153 PolarHBondContact O-N 2.96Å
150	L	71.8	Confident	70.3	Confident	117 Å²	117	97.5 Å²	97.5	61%	0.613	49%	0.486	S	S	*	.	H	α-helix	trans	-63.2	-40.3	177.9	-70.5	171.1	0	0	0	111.7	N146 I147 E154	N146-L150 VanDerWaalsContact O-CG 3.27Å; N146-L150 WeakPolarHBondContact O-CG 3.4Å; N146-L150 PolarHBondContact O-N 2.91Å; I147-L150 PolarHBondContact O-N 3.44Å; L150-E154 WeakPolarHBondContact O-CB 3.31Å; L150-E154 PolarHBondContact O-N 2.83Å
151	I	77.8	Confident	70.7	Confident	94 Å²	94	98.2 Å²	98.2	48%	0.482	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-48.8	176.2	-67.7	165.1	0	0	0	110.5	I147 R148 Y149 D153 E154 L155	I147-I151 HydrophobicContact CG2-CD1 3.77Å; I147-I151 HydrophobicContact CG2-CG1 4.42Å; I147-I151 VanDerWaalsContact O-CG1 3.3Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.47Å; R148-I151 PolarHBondContact O-N 3.18Å; Y149-I151 VanDerWaalsContact C-N 3.34Å; Y149-I151 PolarHBondContact O-N 2.9Å; I151-D153 VanDerWaalsContact C-N 3.33Å; I151-D153 PolarHBondContact O-N 2.95Å; I151-E154 PolarHBondContact O-N 3.42Å; I151-L155 HydrophobicContact CG2-CD1 3.87Å; I151-L155 HydrophobicContact CG2-CG 4.26Å; I151-L155 WeakPolarHBondContact O-CB 3.49Å; I151-L155 VanDerWaalsContact O-CG 3.27Å; I151-L155 WeakPolarHBondContact O-CG 3.27Å; I151-L155 PolarHBondContact O-N 3.04Å
152	V	70.5	Confident	70.9	Confident	93 Å²	93	100.6 Å²	100.6	56%	0.564	49%	0.485	S	S	*	.	H	α-helix	trans	-62.3	-42	-179.9	173.4	0	0	0	0	111.3	R148 Y149 L155 F156	R148-V152 WeakPolarHBondContact O-CG2 3.34Å; R148-V152 PolarHBondContact O-N 3.26Å; Y149-V152 PolarHBondContact O-N 3.41Å; V152-L155 PolarHBondContact O-N 2.88Å; V152-F156 VanDerWaalsContact O-CB 3.29Å; V152-F156 WeakPolarHBondContact O-CB 3.4Å; V152-F156 PolarHBondContact O-N 2.95Å
153	D	69.3	Low	71.2	Confident	75 Å²	75	98.8 Å²	98.8	40%	0.401	48%	0.476	S	S	.	.	H	α-helix	trans	-63.1	-41.4	176.6	-173.8	64.2	0	0	0	112	Y149 I151 F156 K157	Y149-D153 WeakPolarHBondContact O-CB 3.3Å; Y149-D153 PolarHBondContact O-N 2.96Å; I151-D153 VanDerWaalsContact C-N 3.33Å; I151-D153 PolarHBondContact O-N 2.95Å; D153-F156 PolarHBondContact O-N 2.75Å; D153-K157 WeakPolarHBondContact O-CG 3.18Å; D153-K157 PolarHBondContact O-N 3.4Å; D153-K157 WeakPolarHBondContact OD2-CE 3.47Å; D153-K157 IonicContact OD2-NZ 3.57Å; D153-K157 PolarHBondContact OD2-NZ 3.44Å
154	E	75.4	Confident	71.7	Confident	90 Å²	90	99.5 Å²	99.5	42%	0.421	48%	0.478	S	S	.	.	H	α-helix	trans	-68.2	-43.5	178.2	-166.6	57.6	-148	0	0	112	L150 I151 F156 K157 Q158	L150-E154 WeakPolarHBondContact O-CB 3.31Å; L150-E154 PolarHBondContact O-N 2.83Å; I151-E154 PolarHBondContact O-N 3.42Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 3.22Å; E154-K157 PolarHBondContact O-N 3.12Å; E154-Q158 WeakPolarHBondContact O-CG 3.48Å; E154-Q158 PolarHBondContact O-N 2.96Å
155	L	74.8	Confident	71.8	Confident	102 Å²	102	99.3 Å²	99.3	53%	0.534	48%	0.483	S	S	.	.	H	α-helix	trans	-60.8	-41.2	173.5	-69	176.5	0	0	0	111.3	I151 V152 Q158 A159	I151-L155 HydrophobicContact CG2-CD1 3.87Å; I151-L155 HydrophobicContact CG2-CG 4.26Å; I151-L155 WeakPolarHBondContact O-CB 3.49Å; I151-L155 VanDerWaalsContact O-CG 3.27Å; I151-L155 WeakPolarHBondContact O-CG 3.27Å; I151-L155 PolarHBondContact O-N 3.04Å; V152-L155 PolarHBondContact O-N 2.88Å; L155-Q158 PolarHBondContact O-N 3.36Å; L155-A159 WeakPolarHBondContact O-CB 3.3Å; L155-A159 PolarHBondContact O-N 2.86Å
156	F	75.9	Confident	71.7	Confident	117 Å²	117	102.4 Å²	102.4	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-65.2	-41.5	177	-172.4	-104.9	0	0	0	112	V152 D153 E154 A159 L160	V152-F156 VanDerWaalsContact O-CB 3.29Å; V152-F156 WeakPolarHBondContact O-CB 3.4Å; V152-F156 PolarHBondContact O-N 2.95Å; D153-F156 PolarHBondContact O-N 2.75Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 3.22Å; F156-A159 PolarHBondContact O-N 2.94Å; F156-L160 HydrophobicContact CD1-CD1 3.88Å; F156-L160 HydrophobicContact CD1-CG 4.33Å; F156-L160 HydrophobicContact CE1-CD1 3.48Å; F156-L160 VanDerWaalsContact CE1-CD1 3.48Å; F156-L160 HydrophobicContact CE1-CG 4.04Å; F156-L160 HydrophobicContact CZ-CD1 4.12Å; F156-L160 HydrophobicContact CZ-CD2 4.38Å; F156-L160 HydrophobicContact CZ-CG 4.29Å; F156-L160 WeakPolarHBondContact O-CG 3.32Å; F156-L160 PolarHBondContact O-N 3.2Å
157	K	75.1	Confident	71	Confident	92 Å²	92	102.2 Å²	102.2	40%	0.4	50%	0.495	S	S	.	.	H	α-helix	trans	-61.1	-45.2	173	-76	165.5	177	159.1	0	111.8	D153 E154 A159 L160 I161	D153-K157 WeakPolarHBondContact O-CG 3.18Å; D153-K157 PolarHBondContact O-N 3.4Å; D153-K157 WeakPolarHBondContact OD2-CE 3.47Å; D153-K157 IonicContact OD2-NZ 3.57Å; D153-K157 PolarHBondContact OD2-NZ 3.44Å; E154-K157 PolarHBondContact O-N 3.12Å; K157-A159 VanDerWaalsContact C-N 3.34Å; K157-A159 PolarHBondContact O-N 2.84Å; K157-L160 PolarHBondContact O-N 3.46Å; K157-I161 VanDerWaalsContact O-CG1 3.29Å; K157-I161 WeakPolarHBondContact O-CG1 3.43Å; K157-I161 PolarHBondContact O-N 3.46Å
158	Q	76	Confident	70.1	Confident	94 Å²	94	106.3 Å²	106.3	44%	0.439	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-41.4	177.1	-71.9	-178.5	20.9	0	0	111.8	E154 L155 I161 R162	E154-Q158 WeakPolarHBondContact O-CG 3.48Å; E154-Q158 PolarHBondContact O-N 2.96Å; L155-Q158 PolarHBondContact O-N 3.36Å; Q158-I161 PolarHBondContact O-N 2.82Å; Q158-R162 PolarHBondContact O-N 3.01Å
159	A	70	Confident	69.3	Low	53 Å²	53	106.6 Å²	106.6	44%	0.438	52%	0.524	S	S	.	.	H	α-helix	trans	-60.3	-44.6	173.6	0	0	0	0	0	111.5	L155 F156 K157 I161 R162 F163	L155-A159 WeakPolarHBondContact O-CB 3.3Å; L155-A159 PolarHBondContact O-N 2.86Å; F156-A159 PolarHBondContact O-N 2.94Å; K157-A159 VanDerWaalsContact C-N 3.34Å; K157-A159 PolarHBondContact O-N 2.84Å; A159-I161 PolarHBondContact O-N 2.82Å; A159-R162 PolarHBondContact O-N 3.39Å; A159-F163 VanDerWaalsContact O-CB 3.26Å; A159-F163 WeakPolarHBondContact O-CB 3.23Å; A159-F163 PolarHBondContact O-N 3.42Å
160	L	72.2	Confident	67.8	Low	67 Å²	67	102.9 Å²	102.9	35%	0.351	52%	0.524	S	S	.	.	H	α-helix	trans	-65	-35.8	175.6	-72.7	179.7	0	0	0	113.2	F156 K157 R164	F156-L160 HydrophobicContact CD1-CD1 3.88Å; F156-L160 HydrophobicContact CD1-CG 4.33Å; F156-L160 HydrophobicContact CE1-CD1 3.48Å; F156-L160 VanDerWaalsContact CE1-CD1 3.48Å; F156-L160 HydrophobicContact CE1-CG 4.04Å; F156-L160 HydrophobicContact CZ-CD1 4.12Å; F156-L160 HydrophobicContact CZ-CD2 4.38Å; F156-L160 HydrophobicContact CZ-CG 4.29Å; F156-L160 WeakPolarHBondContact O-CG 3.32Å; F156-L160 PolarHBondContact O-N 3.2Å; K157-L160 PolarHBondContact O-N 3.46Å; L160-R164 WeakPolarHBondContact O-CB 3.29Å; L160-R164 WeakPolarHBondContact O-CG 3.38Å; L160-R164 PolarHBondContact O-N 3.34Å
161	I	75.8	Confident	66.2	Low	107 Å²	107	102.4 Å²	102.4	55%	0.549	53%	0.53	S	S	.	.	H	α-helix	trans	-67.1	-48.3	175.7	-70.2	164.5	0	0	0	110	K157 Q158 A159 F163 R164 S165	K157-I161 VanDerWaalsContact O-CG1 3.29Å; K157-I161 WeakPolarHBondContact O-CG1 3.43Å; K157-I161 PolarHBondContact O-N 3.46Å; Q158-I161 PolarHBondContact O-N 2.82Å; A159-I161 PolarHBondContact O-N 2.82Å; I161-F163 VanDerWaalsContact C-N 3.33Å; I161-F163 PolarHBondContact O-N 2.83Å; I161-R164 PolarHBondContact O-N 2.98Å; I161-S165 PolarHBondContact O-N 2.94Å; I161-S165 PolarHBondContact O-OG 2.94Å
162	R	72	Confident	64.3	Low	182 Å²	182	105.5 Å²	105.5	69%	0.687	55%	0.547	S	S	*	.	H	α-helix	trans	-57.4	-47.8	174.5	-78.1	-171.9	178.2	-172.1	0.5	110.8	Q158 A159 R164 S165 L166	Q158-R162 PolarHBondContact O-N 3.01Å; A159-R162 PolarHBondContact O-N 3.39Å; R162-R164 PolarHBondContact O-N 2.99Å; R162-S165 WeakPolarHBondContact CA-OG 3.37Å; R162-S165 PolarHBondContact O-N 3.46Å; R162-S165 VanDerWaalsContact O-N 3.11Å; R162-S165 PolarHBondContact O-OG 3.16Å; R162-L166 WeakPolarHBondContact O-CG 3.47Å; R162-L166 PolarHBondContact O-N 3.49Å
163	F	71.2	Confident	62.6	Low	59 Å²	59	108.5 Å²	108.5	26%	0.259	56%	0.56	S	S	.	*	H	α-helix	trans	-56.7	-48.8	177.1	-171.2	-93.6	0	0	0	111.9	T39 A159 I161 S165 L166 T167	T39-F163 HydrophobicContact CG2-CE1 4.35Å; T39-F163 HydrophobicContact CG2-CZ 3.64Å; A159-F163 VanDerWaalsContact O-CB 3.26Å; A159-F163 WeakPolarHBondContact O-CB 3.23Å; A159-F163 PolarHBondContact O-N 3.42Å; I161-F163 VanDerWaalsContact C-N 3.33Å; I161-F163 PolarHBondContact O-N 2.83Å; F163-S165 VanDerWaalsContact C-N 3.31Å; F163-S165 PolarHBondContact O-N 2.85Å; F163-L166 PolarHBondContact O-N 3.27Å; F163-T167 HydrophobicContact CD1-CG2 4.16Å; F163-T167 HydrophobicContact CE1-CG2 3.76Å; F163-T167 HydrophobicContact CZ-CG2 4.07Å; F163-T167 WeakPolarHBondContact O-CG2 3.4Å; F163-T167 PolarHBondContact O-N 3.36Å; F163-T167 PolarHBondContact O-OG1 3.07Å
164	R	70.9	Confident	61	Low	164 Å²	164	115 Å²	115	62%	0.619	58%	0.584	S	S	*	*	H	α-helix	trans	-61	-37.5	176	-79.1	178.5	176.2	144.6	-0.7	113.1	L160 I161 R162 T167 K168	L160-R164 WeakPolarHBondContact O-CB 3.29Å; L160-R164 WeakPolarHBondContact O-CG 3.38Å; L160-R164 PolarHBondContact O-N 3.34Å; I161-R164 PolarHBondContact O-N 2.98Å; R162-R164 PolarHBondContact O-N 2.99Å; R164-T167 WeakPolarHBondContact CA-OG1 3.18Å; R164-T167 PolarHBondContact O-OG1 3.42Å; R164-K168 PolarHBondContact O-N 2.98Å
165	S	71	Confident	59.3	Low	65 Å²	65	119.9 Å²	119.9	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-67.9	-37.9	177.5	66.6	0	0	0	0	112.1	I161 R162 F163 K168 V169	I161-S165 PolarHBondContact O-N 2.94Å; I161-S165 PolarHBondContact O-OG 2.94Å; R162-S165 WeakPolarHBondContact CA-OG 3.37Å; R162-S165 PolarHBondContact O-N 3.46Å; R162-S165 VanDerWaalsContact O-N 3.11Å; R162-S165 PolarHBondContact O-OG 3.16Å; F163-S165 VanDerWaalsContact C-N 3.31Å; F163-S165 PolarHBondContact O-N 2.85Å; S165-K168 PolarHBondContact O-N 2.78Å; S165-V169 WeakPolarHBondContact O-CG2 3.18Å
166	L	60.1	Low	57.8	Low	109 Å²	109	124.2 Å²	124.2	57%	0.571	62%	0.622	S	S	*	*	H	α-helix	trans	-68	-40.1	176.4	-67.2	167.6	0	0	0	111.5	R162 F163 K168 V169	R162-L166 WeakPolarHBondContact O-CG 3.47Å; R162-L166 PolarHBondContact O-N 3.49Å; F163-L166 PolarHBondContact O-N 3.27Å; L166-K168 PolarHBondContact O-N 3.44Å; L166-V169 PolarHBondContact O-N 3.02Å
167	T	51.1	Low	56	Low	80 Å²	80	123.2 Å²	123.2	49%	0.491	63%	0.63	S	S	.	*	H	α-helix	trans	-69.5	-12.5	177.7	58.2	0	0	0	0	114.5	F163 R164	F163-T167 HydrophobicContact CD1-CG2 4.16Å; F163-T167 HydrophobicContact CE1-CG2 3.76Å; F163-T167 HydrophobicContact CZ-CG2 4.07Å; F163-T167 WeakPolarHBondContact O-CG2 3.4Å; F163-T167 PolarHBondContact O-N 3.36Å; F163-T167 PolarHBondContact O-OG1 3.07Å; R164-T167 WeakPolarHBondContact CA-OG1 3.18Å; R164-T167 PolarHBondContact O-OG1 3.42Å
168	K	55	Low	54.3	Low	176 Å²	176	126.2 Å²	126.2	77%	0.765	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-9	175.3	-78.3	-177.8	178.1	-174.9	0	113.5	R164 S165 L166	R164-K168 PolarHBondContact O-N 2.98Å; S165-K168 PolarHBondContact O-N 2.78Å; L166-K168 PolarHBondContact O-N 3.44Å
169	V	47.3	Very low	52.6	Low	127 Å²	127	127.4 Å²	127.4	77%	0.77	66%	0.662	S	S	*	*	S	Bend	trans	-102.7	1.7	-170.9	-179.3	0	0	0	0	113.1	S165 L166	S165-V169 WeakPolarHBondContact O-CG2 3.18Å; L166-V169 PolarHBondContact O-N 3.02Å
170	S	41.1	Very low	51.4	Low	98 Å²	98	130 Å²	130	69%	0.685	68%	0.677	S	S	*	*			trans	-118	68.6	178.8	59.6	0	0	0	0	112.4
171	S	38.2	Very low	49.9	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	69%	0.69	S	S	*	*			trans	-149.3	55.5	164.8	77.7	0	0	0	0	112.5
172	L	38.2	Very low	48.3	Very low	159 Å²	159	131.6 Å²	131.6	83%	0.832	70%	0.699	S	S	*	*			trans	-129.2	133.5	156.4	-99.8	96.7	0	0	0	107.5
173	N	34.8	Very low	46.5	Very low	156 Å²	156	130.1 Å²	130.1	83%	0.834	70%	0.695	S	S	*	*	S	Bend	trans	91.9	71.4	178.6	-51.8	-30.3	0	0	0	117.4
174	K	35.8	Very low	45.3	Very low	210 Å²	210	131.9 Å²	131.9	91%	0.913	71%	0.707	S	S	*	*				-172.8	117.4	116	-108.9	167.6	177.5	171.1	0	110.6
175	K	39.8	Very low	44.2	Very low	193 Å²	193	130.7 Å²	130.7	84%	0.839	72%	0.724	S	S	*	*			trans	-71.3	156.2	165.9	-76.3	175.2	173.4	176.2	0	109.4
176	Q	43.1	Very low	43.5	Very low	193 Å²	193	132.3 Å²	132.3	90%	0.902	74%	0.735	S	S	*	*			trans	84.7	122.9	174.5	-48.2	174.3	43.9	0	0	111.7
177	S	37.8	Very low	42.6	Very low	97 Å²	97	130 Å²	130	68%	0.678	74%	0.737	S	S	*	*			cis	-170.8	134.5	23	173.6	0	0	0	0	108.9
178	I	39.7	Very low	42.4	Very low	154 Å²	154	129.7 Å²	129.7	79%	0.79	74%	0.739	S	S	*	*			trans	48.2	105.8	139.2	-53.1	169.3	0	0	0	115.9
179	V	40.5	Very low	41.7	Very low	120 Å²	120	128.4 Å²	128.4	73%	0.727	73%	0.729	S	S	*	*				-155.2	123.4	71.2	171.8	0	0	0	0	108.3
180	S	44.5	Very low	41.8	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	73%	0.727	S	S	*	*			trans	-118.9	131.3	169.4	-61.2	0	0	0	0	108.4	C182	S180-C182 PolarHBondContact O-N 3.19Å
181	P	39.8	Very low	41.8	Very low	95 Å²	95	131.1 Å²	131.1	62%	0.617	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-60.9	118.8	176.7	-23.8	35	0	0	0	111.1	W189	P181-W189 HydrophobicContact CB-CE3 4.41Å; P181-W189 HydrophobicContact CB-CH2 4.43Å; P181-W189 HydrophobicContact CB-CZ3 3.58Å
182	C	42.4	Very low	42.1	Very low	111 Å²	111	133.5 Å²	133.5	75%	0.75	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-80.7	128.9	169.3	-96.1	0	0	0	0	109.9	S180	S180-C182 PolarHBondContact O-N 3.19Å
183	Y	34.2	Very low	42	Very low	152 Å²	152	130.1 Å²	130.1	60%	0.596	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-76.9	118.6	163.3	-105.5	-83	0	0	0	108.7	W189	Y183-W189 AromaticContact CD2-CH2 3.61Å; Y183-W189 HydrophobicContact CD2-CH2 3.61Å; Y183-W189 AromaticContact CD2-CZ2 3.77Å; Y183-W189 HydrophobicContact CD2-CZ2 3.77Å; Y183-W189 HydrophobicContact CD2-CZ3 4.15Å; Y183-W189 AromaticContact CE1-CE2 3.94Å; Y183-W189 HydrophobicContact CE1-CZ2 4.16Å; Y183-W189 AromaticContact CE1-NE1 3.83Å; Y183-W189 HydrophobicContact CE2-CD2 4.49Å; Y183-W189 AromaticContact CE2-CE2 3.57Å; Y183-W189 AromaticContact CE2-CH2 3.22Å; Y183-W189 HydrophobicContact CE2-CH2 3.22Å; Y183-W189 AromaticContact CE2-CZ2 2.92Å; Y183-W189 HydrophobicContact CE2-CZ2 2.92Å; Y183-W189 HydrophobicContact CE2-CZ3 4.11Å; Y183-W189 AromaticContact CZ-CE2 3.29Å; Y183-W189 AromaticContact CZ-CH2 3.9Å; Y183-W189 AromaticContact CZ-CZ2 3.15Å; Y183-W189 AromaticContact CZ-NE1 3.37Å; Y183-W189 WeakPolarHBondContact OH-CZ2 3.27Å; Y183-W189 PolarHBondContact OH-NE1 3.04Å
184	N	45.6	Very low	42.2	Very low	95 Å²	95	128.6 Å²	128.6	51%	0.508	72%	0.724	S	S	.	*	P	Polyproline II helix	trans	-78.7	146.4	166.9	-63.1	-1.8	0	0	0	108.7	S186 G187	N184-S186 PolarHBondContact O-N 3.38Å; N184-G187 PolarHBondContact O-N 3.42Å; N184-G187 VanDerWaalsContact O-N 3.11Å
185	S	48.9	Very low	42.4	Very low	140 Å²	140	124 Å²	124	98%	0.979	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-0.9	178.4	-174.5	0	0	0	0	114.9
186	S	55.7	Low	42.4	Very low	99 Å²	99	119.8 Å²	119.8	69%	0.692	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	6.3	177.9	57.2	0	0	0	0	114.7	N184 S188	N184-S186 PolarHBondContact O-N 3.38Å; S186-S188 VanDerWaalsContact C-N 3.33Å; S186-S188 PolarHBondContact O-N 3.17Å
187	G	42.3	Very low	42.2	Very low	59 Å²	59	117.1 Å²	117.1	61%	0.608	70%	0.704	S	S	*	*			trans	70.3	19	167.6	0	0	0	0	0	116.2	N184	N184-G187 PolarHBondContact O-N 3.42Å; N184-G187 VanDerWaalsContact O-N 3.11Å
188	S	46.1	Very low	42	Very low	75 Å²	75	119.6 Å²	119.6	52%	0.524	71%	0.708	S	S	.	*			trans	-113.3	127.3	178.4	-169.4	0	0	0	0	111.9	S186	S186-S188 VanDerWaalsContact C-N 3.33Å; S186-S188 PolarHBondContact O-N 3.17Å
189	W	41	Very low	41.9	Very low	148 Å²	148	117.6 Å²	117.6	56%	0.561	71%	0.705	S	S	*	*			trans	-86.2	118.8	172	-72.1	103.8	0	0	0	110.1	P181 Y183	P181-W189 HydrophobicContact CB-CE3 4.41Å; P181-W189 HydrophobicContact CB-CH2 4.43Å; P181-W189 HydrophobicContact CB-CZ3 3.58Å; Y183-W189 AromaticContact CD2-CH2 3.61Å; Y183-W189 HydrophobicContact CD2-CH2 3.61Å; Y183-W189 AromaticContact CD2-CZ2 3.77Å; Y183-W189 HydrophobicContact CD2-CZ2 3.77Å; Y183-W189 HydrophobicContact CD2-CZ3 4.15Å; Y183-W189 AromaticContact CE1-CE2 3.94Å; Y183-W189 HydrophobicContact CE1-CZ2 4.16Å; Y183-W189 AromaticContact CE1-NE1 3.83Å; Y183-W189 HydrophobicContact CE2-CD2 4.49Å; Y183-W189 AromaticContact CE2-CE2 3.57Å; Y183-W189 AromaticContact CE2-CH2 3.22Å; Y183-W189 HydrophobicContact CE2-CH2 3.22Å; Y183-W189 AromaticContact CE2-CZ2 2.92Å; Y183-W189 HydrophobicContact CE2-CZ2 2.92Å; Y183-W189 HydrophobicContact CE2-CZ3 4.11Å; Y183-W189 AromaticContact CZ-CE2 3.29Å; Y183-W189 AromaticContact CZ-CH2 3.9Å; Y183-W189 AromaticContact CZ-CZ2 3.15Å; Y183-W189 AromaticContact CZ-NE1 3.37Å; Y183-W189 WeakPolarHBondContact OH-CZ2 3.27Å; Y183-W189 PolarHBondContact OH-NE1 3.04Å
190	T	48.2	Very low	41.8	Very low	117 Å²	117	117.4 Å²	117.4	72%	0.718	70%	0.704	S	S	*	*			trans	-112.7	110.1	164.7	41.4	0	0	0	0	109.5	L192	T190-L192 PolarHBondContact O-N 2.81Å
191	M	41.6	Very low	41.7	Very low	166 Å²	166	122.1 Å²	122.1	82%	0.818	71%	0.707	S	S	*	*			trans	-73.5	112.5	168.7	-86.1	-68.8	-43.2	0	0	108.7
192	L	45.4	Very low	41.5	Very low	156 Å²	156	125.6 Å²	125.6	82%	0.817	72%	0.715	S	S	*	*			trans	-71.4	126.8	165.4	-78.4	148.7	0	0	0	108.5	T190	T190-L192 PolarHBondContact O-N 2.81Å
193	S	35.9	Very low	41	Very low	89 Å²	89	125.8 Å²	125.8	62%	0.622	71%	0.713	S	S	*	*			trans	-64.8	136	179.9	28.2	0	0	0	0	111.3	S195	S193-S195 PolarHBondContact O-N 3.03Å
194	P	38.9	Very low	40.9	Very low	123 Å²	123	124 Å²	124	80%	0.799	72%	0.722	S	S	*	*	S	Bend	trans	-70	19.5	-176.8	-18.9	31.9	0	0	0	116.6
195	S	38.9	Very low	40	Very low	115 Å²	115	124.8 Å²	124.8	80%	0.804	74%	0.736	S	S	*	*			trans	-98.4	18.4	-165.4	-53.7	0	0	0	0	115.3	S193	S193-S195 PolarHBondContact O-N 3.03Å
196	S	40.9	Very low	39.4	Very low	103 Å²	103	122.8 Å²	122.8	72%	0.72	72%	0.721	S	S	*	*			trans	-135.3	11.5	-172.9	64.9	0	0	0	0	117.4
197	I	37.8	Very low	38.4	Very low	138 Å²	138	125.8 Å²	125.8	71%	0.708	72%	0.724	S	S	*	*			trans	-110.2	93.8	-177.5	-56	174.7	0	0	0	110.2
198	I	35	Very low	37.9	Very low	149 Å²	149	130.4 Å²	130.4	76%	0.764	73%	0.734	S	S	*	*			trans	-89.7	115.3	163.7	-59.1	167.4	0	0	0	106.4	T200	I198-T200 HydrophobicContact CG2-CG2 4.44Å; I198-T200 PolarHBondContact O-N 3.18Å
199	P	37.6	Very low	37.5	Very low	111 Å²	111	132.2 Å²	132.2	72%	0.721	74%	0.742	S	S	*	*			trans	-90	104	168.3	6.3	13.2	0	0	0	108.7
200	T	38.2	Very low	37	Very low	116 Å²	116	131.3 Å²	131.3	71%	0.712	75%	0.748	S	S	*	*			trans	-69.1	125.8	165.1	44.8	0	0	0	0	109.3	I198	I198-T200 HydrophobicContact CG2-CG2 4.44Å; I198-T200 PolarHBondContact O-N 3.18Å
201	Y	42.2	Very low	36.1	Very low	207 Å²	207	133.5 Å²	133.5	81%	0.812	75%	0.75	S	S	*	*			trans	-80.6	115.9	168.2	55.8	-86.5	0	0	0	108.6	V203	Y201-V203 HydrophobicContact CD2-CG2 4.14Å; Y201-V203 HydrophobicContact CE2-CG2 4.48Å
202	E	35.3	Very low	35.7	Very low	169 Å²	169	130.9 Å²	130.9	79%	0.79	75%	0.748	S	S	*	*			trans	-85.4	118.2	169.3	-82	-93.9	147.7	0	0	108.5
203	V	30.4	Very low	34.9	Very low	115 Å²	115	129.2 Å²	129.2	70%	0.697	74%	0.744	S	S	*	*			trans	-85.6	111.4	170.6	175.1	0	0	0	0	107.4	Y201	Y201-V203 HydrophobicContact CD2-CG2 4.14Å; Y201-V203 HydrophobicContact CE2-CG2 4.48Å
204	S	33.5	Very low	34.7	Very low	114 Å²	114	131.1 Å²	131.1	80%	0.797	75%	0.747	S	S	*	*			trans	-97.7	107.3	168.5	-75.9	0	0	0	0	109.8
205	S	27.2	Very low	34.3	Very low	112 Å²	112	131.1 Å²	131.1	78%	0.783	74%	0.74	S	S	*	*			trans	-94.5	135.1	174.1	-167.6	0	0	0	0	109.3
206	S	36.2	Very low	33.9	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	74%	0.737	S	S	*	*			trans	-157.7	112.1	162	45.3	0	0	0	0	113.8
207	H	34.6	Very low	33.4	Very low	163 Å²	163	134.2 Å²	134.2	76%	0.755	73%	0.732	S	S	*	*			trans	77.6	102.7	143.5	-55.6	-52.8	0	0	0	119.1
208	L	32.1	Very low	32.9	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	73%	0.733	S	S	*	*				73.8	120.4	87.4	-77.4	-179.5	0	0	0	111
209	V	36.3	Very low	32.8	Very low	114 Å²	114	134.2 Å²	134.2	69%	0.691	73%	0.73	S	S	*	*				-172.2	142	53.4	161.3	0	0	0	0	110.3
210	D	31.3	Very low	32.3	Very low	129 Å²	129	135.4 Å²	135.4	69%	0.69	73%	0.731	S	S	*	*			trans	39	153.8	148.2	-63.6	-28.5	0	0	0	123.3
211	Q	29.3	Very low	32	Very low	163 Å²	163	137.2 Å²	137.2	76%	0.762	73%	0.734	S	S	*	*			cis	-173.7	167.7	-19.9	-109.5	173.4	39.9	0	0	105.6
212	S	32.8	Very low	31.1	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	74%	0.74	S	S	*	*			trans	86.3	101.1	171.3	77.1	0	0	0	0	115.3
213	V	28.6	Very low	30.9	Very low	122 Å²	122	132.6 Å²	132.6	74%	0.739	74%	0.736	S	S	*	*				70.3	94.2	59	-175.9	0	0	0	0	112
214	N	31.8	Very low	30.7	Very low	129 Å²	129	134.7 Å²	134.7	69%	0.69	74%	0.742	S	S	*	*				167.2	120	116.9	-90.5	-31.9	0	0	0	113.6
215	N	30.2	Very low	30.3	Very low	122 Å²	122	134.5 Å²	134.5	65%	0.652	74%	0.736	S	S	*	*				67.8	116.8	124.8	-73.2	-7	0	0	0	123
216	F	29.7	Very low	30.5	Very low	166 Å²	166	137.9 Å²	137.9	73%	0.728	74%	0.739	S	S	*	*				84.5	120.9	123.1	-79.6	-59.6	0	0	0	120.9
217	N	31	Very low	30	Very low	118 Å²	118	138.6 Å²	138.6	63%	0.631	74%	0.74	S	S	*	*			trans	83.2	111.3	134.8	-63.6	-16.8	0	0	0	120.7
218	D	27.9	Very low	29.9	Very low	136 Å²	136	139.3 Å²	139.3	73%	0.727	74%	0.743	S	S	*	*				78.5	129.1	116.2	-65.1	-14.2	0	0	0	121.7
219	E	32.7	Very low	29.9	Very low	150 Å²	150	140.5 Å²	140.5	70%	0.701	74%	0.742	S	S	*	*			trans	82.8	105.4	140.5	-65.9	-80.9	141.4	0	0	119.6
220	N	28	Very low	29.9	Very low	136 Å²	136	142.8 Å²	142.8	73%	0.727	75%	0.75	S	S	*	*				45.2	92.3	127	-74.7	-35.3	0	0	0	118.8
221	I	31.2	Very low	29.8	Very low	154 Å²	154	141.9 Å²	141.9	79%	0.79	75%	0.753	S	S	*	*			trans	-144.1	113.2	146.4	-59.6	-173.5	0	0	0	111.3	S223	I221-S223 PolarHBondContact O-N 2.7Å
222	L	23.9	Very low	30.1	Very low	178 Å²	178	139 Å²	139	93%	0.932	75%	0.749	S	S	*	*			trans	-56.8	120.9	157.2	-83.6	147.3	0	0	0	110.6
223	S	30.3	Very low	30	Very low	101 Å²	101	141 Å²	141	71%	0.706	75%	0.75	S	S	*	*			trans	-161.3	102.2	150.9	50.6	0	0	0	0	112.8	I221	I221-S223 PolarHBondContact O-N 2.7Å
224	I	26.7	Very low	30.1	Very low	159 Å²	159	145.1 Å²	145.1	82%	0.815	76%	0.759	S	S	*	*			trans	12.1	116.1	131.8	-64.6	173.8	0	0	0	117.2
225	V	25.2	Very low	29.8	Very low	110 Å²	110	147.3 Å²	147.3	67%	0.667	77%	0.765	S	S	*	*			trans	75.7	117	139.3	-179.9	0	0	0	0	119.6
226	Q	29.9	Very low	29.9	Very low	183 Å²	183	147 Å²	147	86%	0.855	77%	0.772	S	S	*	*				-157.9	133.1	122.9	-113.1	160.7	-49	0	0	112.8
227	T	26.2	Very low	29.8	Very low	113 Å²	113	145.7 Å²	145.7	69%	0.693	77%	0.773	S	S	*	*			trans	-86.2	141.8	-177.7	51.3	0	0	0	0	112.1
228	H	33.7	Very low	30	Very low	177 Å²	177	150.9 Å²	150.9	82%	0.819	79%	0.785	S	S	*	*			trans	-150.4	113.3	146.8	-83.7	-71.4	0	0	0	113.1
229	K	31.7	Very low	30.1	Very low	181 Å²	181	150.4 Å²	150.4	79%	0.787	79%	0.789	S	S	*	*			trans	-1	135.4	152.9	-58.7	171.7	177.5	175.3	0	119.2
230	N	35.1	Very low	29.9	Very low	162 Å²	162	148.3 Å²	148.3	87%	0.866	79%	0.791	S	S	*	*				-174	141.1	106.4	-81.2	-24.4	0	0	0	112.4
231	S	31	Very low	29.9	Very low	109 Å²	109	149.7 Å²	149.7	76%	0.762	80%	0.798	S	S	*	*			trans	-92.3	-164.2	-164	50.6	0	0	0	0	114.4
232	P	34.7	Very low	29.6	Very low	104 Å²	104	149.3 Å²	149.3	68%	0.675	79%	0.793	S	S	*	*				-133.6	-167	-50.1	30	-7.9	0	0	0	112.7
233	L	30	Very low	29.9	Very low	150 Å²	150	150.4 Å²	150.4	79%	0.785	79%	0.79	S	S	*	*			trans	107.4	99.3	153.6	-55	178	0	0	0	117.6
234	F	30.7	Very low	29.6	Very low	210 Å²	210	151.5 Å²	151.5	92%	0.921	79%	0.787	S	S	*	*				-176.4	122.9	110.9	-115.2	-89.8	0	0	0	110.1
235	E	26.8	Very low	29.7	Very low	174 Å²	174	155 Å²	155	81%	0.813	79%	0.792	S	S	*	*			trans	-88.7	134.9	-177.8	-134	169.8	-178.7	0	0	109.9
236	S	32.5	Very low	29.8	Very low	117 Å²	117	153.4 Å²	153.4	82%	0.818	79%	0.785	S	S	*	*			trans	-149.7	121.9	153.2	64.6	0	0	0	0	110.4
237	N	27.7	Very low	29.8	Very low	137 Å²	137	150.5 Å²	150.5	73%	0.733	78%	0.782	S	S	*	*			trans	-81.3	130.1	-174.7	-76.7	-49.2	0	0	0	112.2
238	Y	33.8	Very low	30.1	Very low	228 Å²	228	152 Å²	152	89%	0.894	79%	0.786	S	S	*	*			trans	-150.2	141.1	145	-80.9	-73	0	0	0	109.8
239	P	30.4	Very low	29.9	Very low	125 Å²	125	151.4 Å²	151.4	81%	0.812	78%	0.783	S	S	*	*			trans	-78.8	134.7	-164.5	31.4	-33	0	0	0	112.4
240	S	27.6	Very low	29.9	Very low	106 Å²	106	151.2 Å²	151.2	74%	0.741	79%	0.79	S	S	*	*			trans	-78.7	125.3	171.8	40.7	0	0	0	0	110.9	Q242	S240-Q242 PolarHBondContact O-N 2.86Å; S240-Q242 VanDerWaalsContact O-N 3.16Å
241	L	28.8	Very low	29.3	Very low	165 Å²	165	148.4 Å²	148.4	86%	0.864	78%	0.783	S	S	*	*			trans	-74.7	98.5	162.9	-88.3	163.7	0	0	0	108.4
242	Q	25.6	Very low	29.2	Very low	147 Å²	147	153.8 Å²	153.8	69%	0.687	79%	0.788	S	S	*	*			trans	-71.5	124.2	164.2	-81.4	177.4	-41.7	0	0	109.8	S240 I244	S240-Q242 PolarHBondContact O-N 2.86Å; S240-Q242 VanDerWaalsContact O-N 3.16Å; Q242-I244 HydrophobicContact CB-CG1 4.44Å
243	F	28.5	Very low	28.8	Very low	200 Å²	200	153.7 Å²	153.7	88%	0.877	79%	0.79	S	S	*	*			trans	-114.2	107.7	145.5	-83.5	-78.3	0	0	0	107.5
244	I	24.9	Very low	28.8	Very low	125 Å²	125	151.6 Å²	151.6	64%	0.641	79%	0.787	S	S	*	*			trans	-80.8	126.4	174.1	-64.2	170.1	0	0	0	107.3	Q242	Q242-I244 HydrophobicContact CB-CG1 4.44Å
245	Y	28.5	Very low	28.8	Very low	233 Å²	233	146.2 Å²	146.2	91%	0.914	78%	0.776	S	S	*	*			trans	-141.2	116.1	147.2	-137.9	-92.7	0	0	0	109.2
246	S	27.3	Very low	29.3	Very low	75 Å²	75	146 Å²	146	52%	0.524	78%	0.778	S	S	.	*			trans	-99.8	131.7	-179.1	176.5	0	0	0	0	108.7
247	P	30.5	Very low	29.2	Very low	123 Å²	123	147.3 Å²	147.3	80%	0.799	78%	0.777	S	S	*	*			trans	-97.2	103.5	169.8	31.8	-22.5	0	0	0	109.6
248	N	31.5	Very low	29.6	Very low	143 Å²	143	147 Å²	147	77%	0.765	78%	0.78	S	S	*	*			trans	-89.6	119.7	169.4	-81.1	-15.9	0	0	0	110.6
249	H	30.5	Very low	29.7	Very low	165 Å²	165	142.5 Å²	142.5	76%	0.764	78%	0.776	S	S	*	*			trans	13.7	123.3	140.5	-92.8	-103.4	0	0	0	117.7
250	L	31.1	Very low	29.6	Very low	177 Å²	177	144.3 Å²	144.3	93%	0.927	78%	0.779	S	S	*	*				-159.2	114.2	128.5	-127.3	75.6	0	0	0	110.3
251	S	23.7	Very low	30	Very low	103 Å²	103	147.9 Å²	147.9	72%	0.72	78%	0.783	S	S	*	*			trans	-82.6	133.4	166.9	33.5	0	0	0	0	109.7
252	Y	29.2	Very low	30.2	Very low	223 Å²	223	148.7 Å²	148.7	88%	0.875	78%	0.783	S	S	*	*			trans	-148.8	122.2	149.3	-153.2	-98.5	0	0	0	109.8
253	S	25	Very low	30.3	Very low	101 Å²	101	149.6 Å²	149.6	71%	0.706	79%	0.791	S	S	*	*			trans	-94.4	137.2	177.7	179.9	0	0	0	0	108.8
254	S	31.3	Very low	30.3	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	79%	0.793	S	S	*	*			trans	-162	114.9	146.7	53.1	0	0	0	0	110
255	S	29.3	Very low	30.8	Very low	98 Å²	98	148.9 Å²	148.9	69%	0.685	80%	0.8	S	S	*	*			trans	-55.2	149.7	173.4	-39.5	0	0	0	0	113.2
256	I	36.7	Very low	30.8	Very low	168 Å²	168	146 Å²	146	86%	0.862	80%	0.795	S	S	*	*			trans	-163.4	123.7	130.5	-84.3	138.4	0	0	0	106.8
257	N	30.9	Very low	31.1	Very low	146 Å²	146	152.6 Å²	152.6	78%	0.781	81%	0.814	S	S	*	*			trans	-73.2	137.4	177.6	-58.6	-43	0	0	0	110.7
258	T	36.1	Very low	31	Very low	131 Å²	131	154.8 Å²	154.8	80%	0.804	82%	0.819	S	S	*	*			trans	-178.9	105.4	130.9	25	0	0	0	0	111.1
259	V	36	Very low	31.4	Very low	132 Å²	132	151.6 Å²	151.6	80%	0.8	81%	0.808	S	S	*	*			trans	58.5	76.3	143.7	-148.6	0	0	0	0	118.4	Q261	V259-Q261 PolarHBondContact O-N 3.09Å
260	D	29.2	Very low	31.7	Very low	164 Å²	164	147.1 Å²	147.1	88%	0.877	80%	0.796	S	S	*	*			trans	30.9	74.1	143.8	-58.6	-27.4	0	0	0	120.1
261	Q	35.5	Very low	31.9	Very low	180 Å²	180	143.9 Å²	143.9	84%	0.841	79%	0.785	S	S	*	*			trans	-147.3	131.4	151	-95	176.1	20	0	0	109.5	V259	V259-Q261 PolarHBondContact O-N 3.09Å
262	Q	32.2	Very low	32.6	Very low	183 Å²	183	145.5 Å²	145.5	86%	0.855	79%	0.785	S	S	*	*			trans	56.9	106.1	168.1	-65.6	-167.1	-82.1	0	0	118.4
263	L	28.3	Very low	33	Very low	165 Å²	165	138.7 Å²	138.7	86%	0.864	77%	0.77	S	S	*	*			trans	174.6	90	137.6	-96.7	152.2	0	0	0	110.8
264	S	28.3	Very low	33.5	Very low	130 Å²	130	141.2 Å²	141.2	91%	0.909	77%	0.771	S	S	*	*			trans	-128.8	74.4	154	49.4	0	0	0	0	107.5
265	K	35.8	Very low	33.7	Very low	181 Å²	181	142.5 Å²	142.5	79%	0.787	77%	0.768	S	S	*	*			trans	-86.9	139.4	164.5	-97.9	178.2	177.2	178.6	0	108.3
266	E	29.2	Very low	34	Very low	173 Å²	173	142.7 Å²	142.7	81%	0.808	76%	0.761	S	S	*	*			trans	77.7	76.8	163.9	-62.1	-173.5	168.5	0	0	118.1
267	F	33.3	Very low	33.9	Very low	212 Å²	212	143 Å²	143	93%	0.93	76%	0.759	S	S	*	*			trans	-134.7	119.5	133.1	-94.8	-85.2	0	0	0	108.4	S269	F267-S269 PolarHBondContact O-N 2.67Å
268	N	29	Very low	34.1	Very low	169 Å²	169	145.1 Å²	145.1	90%	0.904	76%	0.761	S	S	*	*			trans	-47	104.9	-173	-67.6	-49.5	0	0	0	112.8	S270	N268-S270 PolarHBondContact O-N 3.13Å
269	S	39	Very low	33.9	Very low	77 Å²	77	145.7 Å²	145.7	54%	0.538	76%	0.759	S	S	.	*			trans	-75.9	109.5	171.8	69.5	0	0	0	0	109.2	F267	F267-S269 PolarHBondContact O-N 2.67Å
270	S	36.5	Very low	33.9	Very low	71 Å²	71	144.9 Å²	144.9	50%	0.497	76%	0.755	S	S	.	*			trans	-50.3	140.4	169.6	179.3	0	0	0	0	111	N268 L272 S273	N268-S270 PolarHBondContact O-N 3.13Å; S270-L272 PolarHBondContact O-N 3.15Å; S270-S273 PolarHBondContact O-N 2.99Å; S270-S273 PolarHBondContact O-OG 3.42Å; S270-S273 VanDerWaalsContact O-OG 3.1Å
271	P	36.3	Very low	34.3	Very low	109 Å²	109	143 Å²	143	71%	0.708	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-8.1	-178	-23	31.5	0	0	0	115.8
272	L	36.6	Very low	34.1	Very low	137 Å²	137	140.1 Å²	140.1	72%	0.717	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-17.3	-177.6	-83.9	169	0	0	0	114.8	S270	S270-L272 PolarHBondContact O-N 3.15Å
273	S	37.8	Very low	34.3	Very low	80 Å²	80	134.6 Å²	134.6	56%	0.559	72%	0.722	S	S	*	*	S	Bend	trans	-86.4	-11.1	-177.8	47.2	0	0	0	0	114.5	S270	S270-S273 PolarHBondContact O-N 2.99Å; S270-S273 PolarHBondContact O-OG 3.42Å; S270-S273 VanDerWaalsContact O-OG 3.1Å
274	Q	36.6	Very low	34.5	Very low	154 Å²	154	133.5 Å²	133.5	72%	0.72	71%	0.71	S	S	*	*	S	Bend	trans	-98.5	-4.1	179.7	-66	-178.9	16.6	0	0	114.2
275	I	36.1	Very low	35.2	Very low	133 Å²	133	132.6 Å²	132.6	68%	0.682	69%	0.694	S	S	*	*	S	Bend	trans	-104	39.9	-178.2	-48.9	173.3	0	0	0	110.6
276	L	35.6	Very low	35.3	Very low	101 Å²	101	125.9 Å²	125.9	53%	0.529	68%	0.676	S	S	.	*			trans	-126.6	2.7	-178.4	-100.7	155.3	0	0	0	114.6	V283	L276-V283 HydrophobicContact CD2-CG1 3.97Å; L276-V283 HydrophobicContact CD2-CG2 4.21Å
277	E	34.1	Very low	36.2	Very low	176 Å²	176	121 Å²	121	82%	0.822	66%	0.658	S	S	*	*	S	Bend	trans	-115.8	87.9	171.2	-80.8	-172.7	143.4	0	0	110.5
278	K	34	Very low	36.7	Very low	190 Å²	190	116 Å²	116	83%	0.826	64%	0.641	S	S	*	*	S	Bend	trans	170.4	121.1	141.1	-90.6	152.6	-169.6	179.2	0	108.7
279	N	31.7	Very low	37.8	Very low	142 Å²	142	112 Å²	112	76%	0.759	62%	0.619	S	S	*	*	S	Bend	trans	80.1	102.5	160.4	-55	-22.2	0	0	0	118.4
280	T	37.9	Very low	38.1	Very low	116 Å²	116	111.8 Å²	111.8	71%	0.712	62%	0.616	S	S	*	*	S	Bend	trans	72.3	97.9	133.7	57.5	0	0	0	0	119.5	C282	T280-C282 PolarHBondContact O-N 3.26Å
281	N	36.1	Very low	38.5	Very low	123 Å²	123	112.5 Å²	112.5	66%	0.658	62%	0.615	S	S	*	*	S	Bend	trans	74.4	7.5	134	-61.2	-32	0	0	0	121.1
282	C	32.7	Very low	38.7	Very low	121 Å²	121	115.4 Å²	115.4	82%	0.818	63%	0.634	S	S	*	*			trans	-145	119	164.9	-77.8	0	0	0	0	109.7	T280	T280-C282 PolarHBondContact O-N 3.26Å
283	V	34.9	Very low	38.9	Very low	67 Å²	67	114.4 Å²	114.4	41%	0.406	63%	0.629	S	S	.	*			trans	-121.2	139.7	172.6	175.5	0	0	0	0	108.5	V48 L276	V48-V283 HydrophobicContact CB-CB 3.94Å; V48-V283 HydrophobicContact CB-CG1 4.45Å; V48-V283 HydrophobicContact CG1-CB 4.27Å; V48-V283 HydrophobicContact CG1-CG2 4.47Å; V48-V283 HydrophobicContact CG2-CB 4.06Å; V48-V283 HydrophobicContact CG2-CG1 4.01Å; L276-V283 HydrophobicContact CD2-CG1 3.97Å; L276-V283 HydrophobicContact CD2-CG2 4.21Å
284	F	33.9	Very low	38.9	Very low	141 Å²	141	116.2 Å²	116.2	62%	0.618	63%	0.633	S	S	*	*			trans	-45.8	144.2	-172.3	-70.2	-99.2	0	0	0	115.1
285	I	41.4	Very low	39	Very low	111 Å²	111	114.1 Å²	114.1	57%	0.569	63%	0.628	S	S	*	*			trans	-95.7	105.7	171.9	-54	172.4	0	0	0	106.6	V287	I285-V287 HydrophobicContact CG2-CG2 3.53Å
286	G	39.5	Very low	39.2	Very low	41 Å²	41	112.9 Å²	112.9	42%	0.423	63%	0.625	S	S	.	*			trans	-75.7	120.3	160	0	0	0	0	0	108
287	V	47.2	Very low	39.4	Very low	69 Å²	69	113.7 Å²	113.7	42%	0.418	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.9	102.8	169.8	-176.9	0	0	0	0	105.8	L45 I285 I289	L45-V287 HydrophobicContact CD2-CB 4.48Å; L45-V287 HydrophobicContact CD2-CG1 4.06Å; L45-V287 HydrophobicContact CD2-CG2 3.98Å; I285-V287 HydrophobicContact CG2-CG2 3.53Å; V287-I289 HydrophobicContact CG1-CD1 4.07Å; V287-I289 HydrophobicContact CG1-CG1 3.96Å
288	D	43.3	Very low	39.8	Very low	109 Å²	109	109.5 Å²	109.5	58%	0.583	62%	0.618	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.7	117.9	169.7	-66.5	-46	0	0	0	107.2	T44	T44-D288 PolarHBondContact N-O 3.13Å; T44-D288 VanDerWaalsContact N-O 3.09Å; T44-D288 PolarHBondContact O-N 3.41Å
289	I	53.1	Low	40.2	Very low	85 Å²	85	103.8 Å²	103.8	44%	0.436	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.1	103.1	169.4	-62.5	163.7	0	0	0	105.6	A41 E42 V287	A41-I289 HydrophobicContact CB-CG2 4.13Å; E42-I289 WeakPolarHBondContact O-CA 3.4Å; V287-I289 HydrophobicContact CG1-CD1 4.07Å; V287-I289 HydrophobicContact CG1-CG1 3.96Å
290	C	45.3	Very low	40.9	Very low	72 Å²	72	100.8 Å²	100.8	49%	0.486	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	130.8	169.5	-69.6	0	0	0	0	107.7	E42	E42-C290 HydrophobicContact CB-CB 4.24Å; E42-C290 PolarHBondContact N-O 3.23Å; E42-C290 PolarHBondContact O-N 3.46Å; E42-C290 VanDerWaalsContact O-N 3.08Å
291	N	45	Very low	41.1	Very low	86 Å²	86	99.6 Å²	99.6	46%	0.46	58%	0.582	S	S	.	*			trans	-104.4	139.3	170.3	-139.4	21.3	0	0	0	106.8
292	P	41	Very low	41.6	Very low	170 Å²	170	97.5 Å²	97.5	100%	1.104	58%	0.575	S	S	*	*			trans	-61.9	0	170.4	27.7	-34.2	0	0	0	112

Retrieved 292 of 292 residues in 37.8 ms (Link to these results)

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