G4LYZ0_SCHMA Loading...

CSP domain-containing protein

AlphaFold DB , UniProt , Accession G4LYZ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 112 aa.

						>G4LYZ0_SCHMA|G4LYZ0
MEPPHMLIPSPIYHKRNRTKSQSEGAFKGEYGIGKIISFCRDKGHGFIKPDNGDDCLFVHVFDIDGEYVPIEGDVVEYRKMLIPPKNEKYQAVHVRIVNLNSEKHKTWDEPA
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	57.6	Low	245 Å²	245	109.7 Å²	109.7	100%	1.207	60%	0.598	S	S	*	*				0	91.3	0	-158.1	175.4	-125.2	0	0	105.3
2	E	49	Very low	58.5	Low	165 Å²	165	105.7 Å²	105.7	77%	0.771	57%	0.574	S	S	*	*			trans	-71.7	133.2	-177.2	-67.7	-168.9	100.9	0	0	109.1
3	P	47.2	Very low	59.3	Low	61 Å²	61	101.9 Å²	101.9	40%	0.396	55%	0.547	S	S	.	.			trans	-64.5	131.3	-174.9	22	-29.9	0	0	0	110.8	H5 M6	P3-H5 PolarHBondContact O-N 3.17Å; P3-M6 HydrophobicContact CG-CE 4.17Å
4	P	53.6	Low	60.5	Low	117 Å²	117	96 Å²	96	76%	0.76	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-5.3	-168.8	23.7	-33.8	0	0	0	115.6
5	H	53.8	Low	61.4	Low	136 Å²	136	94.3 Å²	94.3	63%	0.63	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.9	-173.8	61.8	-92.2	0	0	0	114.8	P3 L7	P3-H5 PolarHBondContact O-N 3.17Å; H5-L7 PolarHBondContact O-N 3.07Å
6	M	55.1	Low	62.2	Low	80 Å²	80	99.6 Å²	99.6	39%	0.394	51%	0.512	S	S	.	.			trans	-86.4	48.3	175.3	-65.4	-170.3	-164.3	0	0	112.5	P3 I8 F47	P3-M6 HydrophobicContact CG-CE 4.17Å; M6-I8 PolarHBondContact O-N 3.08Å; M6-I8 VanDerWaalsContact O-N 3.07Å; M6-F47 HydrophobicContact CB-CE1 4.49Å; M6-F47 HydrophobicContact CB-CE2 3.97Å; M6-F47 HydrophobicContact CB-CZ 3.69Å; M6-F47 HydrophobicContact CG-CE2 3.96Å; M6-F47 HydrophobicContact CG-CZ 4.01Å; M6-F47 HydrophobicContact SD-CD2 4.19Å; M6-F47 HydrophobicContact SD-CE2 3.81Å; M6-F47 HydrophobicContact SD-CZ 4.45Å
7	L	62.9	Low	63	Low	116 Å²	116	99.7 Å²	99.7	61%	0.607	51%	0.514	S	S	*	.			trans	-68.5	105.2	179.5	-73.3	164.6	0	0	0	110.4	H5	H5-L7 PolarHBondContact O-N 3.07Å
8	I	67.5	Low	63.7	Low	78 Å²	78	95.6 Å²	95.6	40%	0.4	49%	0.49	S	S	.	.			trans	-62.2	127.7	172	-54.5	168	0	0	0	108.3	M6 S10 I12 F58	M6-I8 PolarHBondContact O-N 3.08Å; M6-I8 VanDerWaalsContact O-N 3.07Å; I8-S10 PolarHBondContact O-N 3.34Å; I8-I12 HydrophobicContact CG2-CD1 4.33Å; I8-I12 HydrophobicContact CG2-CG1 4.26Å; I8-F58 HydrophobicContact CG2-CE2 3.96Å; I8-F58 HydrophobicContact CG2-CZ 4.16Å
9	P	66.4	Low	64.6	Low	19 Å²	19	95.2 Å²	95.2	12%	0.123	49%	0.493	C	S	.	.			trans	-63.5	132.3	175.9	26.6	-33.8	0	0	0	110.6	P11 I12 F58 I83	P9-P11 CarbonylContact O-C 3.41Å; P9-I12 PolarHBondContact O-N 2.71Å; P9-F58 HydrophobicContact CG-CD1 3.61Å; P9-F58 HydrophobicContact CG-CD2 4.38Å; P9-F58 HydrophobicContact CG-CE1 3.72Å; P9-F58 HydrophobicContact CG-CE2 4.47Å; P9-F58 HydrophobicContact CG-CG 3.95Å; P9-F58 HydrophobicContact CG-CZ 4.16Å; P9-I83 HydrophobicContact CB-CD1 3.7Å; P9-I83 HydrophobicContact CB-CG2 4.33Å; P9-I83 HydrophobicContact CG-CD1 3.83Å
10	S	65.8	Low	65.3	Low	117 Å²	117	99.9 Å²	99.9	82%	0.818	51%	0.509	S	S	*	.	S	Bend	trans	-122.3	122	175.2	-172.2	0	0	0	0	110.1	I8	I8-S10 PolarHBondContact O-N 3.34Å
11	P	72.5	Confident	66.1	Low	73 Å²	73	99.4 Å²	99.4	47%	0.474	52%	0.515	S	S	.	.	S	Bend	cis	-72.2	158.8	-0.6	28.8	-32	0	0	0	112.9	P9 Y13	P9-P11 CarbonylContact O-C 3.41Å; P11-Y13 HydrophobicContact CB-CE2 4.5Å; P11-Y13 HydrophobicContact CG-CD2 4.39Å; P11-Y13 HydrophobicContact CG-CE1 4.35Å; P11-Y13 HydrophobicContact CG-CE2 3.53Å; P11-Y13 VanDerWaalsContact CG-OH 3.31Å; P11-Y13 WeakPolarHBondContact CG-OH 3.2Å; P11-Y13 WeakPolarHBondContact O-CD2 3.4Å; P11-Y13 VanDerWaalsContact O-CE2 3.28Å; P11-Y13 WeakPolarHBondContact O-CE2 3.44Å; P11-Y13 PolarHBondContact O-N 3.26Å; P11-Y13 VanDerWaalsContact O-N 3.12Å
12	I	68.8	Low	68.1	Low	61 Å²	61	90.5 Å²	90.5	31%	0.313	47%	0.47	S	S	.	.			trans	-72.3	107.5	177.2	-57.2	178.4	0	0	0	108.3	I8 P9 F58 H60	I8-I12 HydrophobicContact CG2-CD1 4.33Å; I8-I12 HydrophobicContact CG2-CG1 4.26Å; P9-I12 PolarHBondContact O-N 2.71Å; I12-F58 HydrophobicContact CG2-CE1 4.23Å; I12-F58 HydrophobicContact CG2-CZ 4.29Å; I12-H60 VanDerWaalsContact CG2-CD2 3.47Å; I12-H60 WeakPolarHBondContact CG2-CD2 3.45Å
13	Y	69.4	Low	69.5	Low	57 Å²	57	84.8 Å²	84.8	22%	0.224	45%	0.449	C	S	.	.			trans	-89.3	115.1	173.4	-66.4	-85.6	0	0	0	108.9	P11 I83 P84 P85 Q91	P11-Y13 HydrophobicContact CB-CE2 4.5Å; P11-Y13 HydrophobicContact CG-CD2 4.39Å; P11-Y13 HydrophobicContact CG-CE1 4.35Å; P11-Y13 HydrophobicContact CG-CE2 3.53Å; P11-Y13 VanDerWaalsContact CG-OH 3.31Å; P11-Y13 WeakPolarHBondContact CG-OH 3.2Å; P11-Y13 WeakPolarHBondContact O-CD2 3.4Å; P11-Y13 VanDerWaalsContact O-CE2 3.28Å; P11-Y13 WeakPolarHBondContact O-CE2 3.44Å; P11-Y13 PolarHBondContact O-N 3.26Å; P11-Y13 VanDerWaalsContact O-N 3.12Å; Y13-I83 HydrophobicContact CD2-CG2 3.39Å; Y13-I83 HydrophobicContact CE2-CG2 4.06Å; Y13-I83 HydrophobicContact CG-CG2 4.1Å; Y13-P84 HydrophobicContact CD1-CG 4.14Å; Y13-P84 WeakPolarHBondContact CD2-O 3.2Å; Y13-P84 HydrophobicContact CE1-CG 4.28Å; Y13-P84 WeakPolarHBondContact CE2-O 3.35Å; Y13-P84 HydrophobicContact CG-CG 4.5Å; Y13-P85 WeakPolarHBondContact OH-CD 3.01Å; Y13-Q91 PolarHBondContact O-OE1 3.27Å
14	H	75.7	Confident	71.2	Confident	19 Å²	19	89 Å²	89	9%	0.088	46%	0.463	C	S	.	.			trans	-139.5	170.8	177.4	52.3	50.9	0	0	0	110.5	R16 N17 R18 H60 F62 D63	H14-R16 PolarHBondContact ND1-N 3.21Å; H14-R16 PolarHBondContact O-N 3.05Å; H14-N17 PolarHBondContact CE1-ND2 2.93Å; H14-N17 PolarHBondContact CE1-OD1 2.78Å; H14-N17 PolarHBondContact O-N 3.01Å; H14-R18 PolarHBondContact O-N 2.95Å; H14-H60 HydrophobicContact CB-CB 3.97Å; H14-H60 AromaticContact CD2-CE1 3.49Å; H14-H60 PolarHBondContact CD2-CE1 3.33Å; H14-H60 VanDerWaalsContact CD2-CE1 3.49Å; H14-H60 AromaticContact CD2-CG 3.97Å; H14-H60 AromaticContact CD2-ND1 3.54Å; H14-H60 AromaticContact CD2-NE2 3.83Å; H14-H60 AromaticContact CG-ND1 3.83Å; H14-F62 HydrophobicContact CB-CB 4.23Å; H14-F62 AromaticContact CD2-CD2 3.76Å; H14-F62 AromaticContact CE1-CD2 3.86Å; H14-F62 AromaticContact CG-CD2 3.85Å; H14-F62 AromaticContact ND1-CD2 3.92Å; H14-F62 AromaticContact NE2-CD2 3.76Å; H14-D63 WeakPolarHBondContact CA-OD2 3.49Å; H14-D63 WeakPolarHBondContact CB-OD2 3.31Å
15	K	73.7	Confident	72.5	Confident	71 Å²	71	85 Å²	85	31%	0.309	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-38.5	-43.8	-178.6	-175	-179.4	-91.8	177.5	0	114.5	N17 F62 D63 D65	K15-N17 PolarHBondContact O-N 2.96Å; K15-F62 WeakPolarHBondContact CB-O 3.39Å; K15-D63 PolarHBondContact N-OD2 2.94Å; K15-D65 IonicContact NZ-OD1 3.56Å; K15-D65 PolarHBondContact NZ-OD1 3.23Å; K15-D65 IonicContact NZ-OD2 2.9Å; K15-D65 PolarHBondContact NZ-OD2 2.85Å
16	R	74.4	Confident	73.9	Confident	178 Å²	178	78.6 Å²	78.6	67%	0.672	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-69.3	-23.5	-178.9	-62.6	-177.8	169.6	-174.2	-1.9	116.2	H14 F62	H14-R16 PolarHBondContact ND1-N 3.21Å; H14-R16 PolarHBondContact O-N 3.05Å; R16-F62 HydrophobicContact CG-CB 4.49Å; R16-F62 HydrophobicContact CG-CD1 4.46Å; R16-F62 HydrophobicContact CG-CD2 4.44Å; R16-F62 HydrophobicContact CG-CG 4.22Å; R16-F62 VanDerWaalsContact NH1-CE1 3.28Å; R16-F62 VanDerWaalsContact NH1-CZ 3.3Å
17	N	75.6	Confident	75.1	Confident	102 Å²	102	81 Å²	81	55%	0.545	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-109.5	4.9	-176.2	-64.2	0.5	0	0	0	112.2	H14 K15	H14-N17 PolarHBondContact CE1-ND2 2.93Å; H14-N17 PolarHBondContact CE1-OD1 2.78Å; H14-N17 PolarHBondContact O-N 3.01Å; K15-N17 PolarHBondContact O-N 2.96Å
18	R	75.4	Confident	76.1	Confident	26 Å²	26	84.5 Å²	84.5	10%	0.098	43%	0.433	C	S	.	.			trans	-78.2	137.5	177	-74.7	-173.4	-165.6	121.9	22.5	110.8	H14 Q22 S23 D63 V93	H14-R18 PolarHBondContact O-N 2.95Å; R18-Q22 HydrophobicContact CB-CB 3.91Å; R18-Q22 HydrophobicContact CG-CB 4.07Å; R18-S23 WeakPolarHBondContact CB-OG 3.14Å; R18-D63 IonicContact CZ-OD1 3.16Å; R18-D63 IonicContact CZ-OD2 2.73Å; R18-D63 IonicContact NH1-OD1 2.72Å; R18-D63 PolarHBondContact NH1-OD1 3.41Å; R18-D63 IonicContact NH2-OD1 3.35Å; R18-D63 PolarHBondContact NH2-OD1 3.35Å; R18-D63 IonicContact NH2-OD2 3.81Å; R18-D63 PolarHBondContact NH2-OD2 2.84Å; R18-V93 VanDerWaalsContact CZ-CG1 3.44Å
19	T	81	Confident	76.9	Confident	87 Å²	87	81.5 Å²	81.5	53%	0.534	42%	0.421	S	S	.	.			trans	-70.9	164.5	166.3	66.5	0	0	0	0	110.1	S21 Q22 S23	T19-S21 VanDerWaalsContact C-N 3.3Å; T19-S21 PolarHBondContact O-N 2.96Å; T19-Q22 WeakPolarHBondContact O-CB 3.17Å; T19-Q22 PolarHBondContact O-N 3.37Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.49Å; T19-Q22 PolarHBondContact OG1-N 3.41Å; T19-S23 PolarHBondContact O-N 2.84Å; T19-S23 PolarHBondContact O-OG 3.31Å
20	K	79.7	Confident	77.9	Confident	190 Å²	190	86.4 Å²	86.4	83%	0.826	44%	0.442	S	S	*	.	H	α-helix	trans	-53.3	-46.7	178.8	-71.2	-170.5	178.4	-169.9	0	112.5	Q22 S23 E24	K20-Q22 VanDerWaalsContact C-N 3.31Å; K20-Q22 PolarHBondContact O-N 3.37Å; K20-S23 PolarHBondContact O-N 2.97Å; K20-E24 PolarHBondContact O-N 3.41Å
21	S	82.2	Confident	79.1	Confident	90 Å²	90	86.2 Å²	86.2	63%	0.629	42%	0.424	S	S	*	.	H	α-helix	trans	-63.5	-35.6	177.9	-49.9	0	0	0	0	112.5	T19 E24 G25	T19-S21 VanDerWaalsContact C-N 3.3Å; T19-S21 PolarHBondContact O-N 2.96Å; S21-E24 PolarHBondContact O-N 3.07Å; S21-G25 PolarHBondContact O-N 2.84Å
22	Q	79.6	Confident	80.1	Confident	57 Å²	57	83.3 Å²	83.3	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-67.5	-47.1	173.4	-68.8	-55.9	109.2	0	0	110.7	R18 T19 K20 E24 G25 A26 M81 P84	R18-Q22 HydrophobicContact CB-CB 3.91Å; R18-Q22 HydrophobicContact CG-CB 4.07Å; T19-Q22 WeakPolarHBondContact O-CB 3.17Å; T19-Q22 PolarHBondContact O-N 3.37Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.49Å; T19-Q22 PolarHBondContact OG1-N 3.41Å; K20-Q22 VanDerWaalsContact C-N 3.31Å; K20-Q22 PolarHBondContact O-N 3.37Å; Q22-E24 PolarHBondContact O-N 3.28Å; Q22-G25 CarbonylContact O-C 3.41Å; Q22-G25 WeakPolarHBondContact O-CA 3.25Å; Q22-G25 PolarHBondContact O-N 2.99Å; Q22-A26 PolarHBondContact O-N 3.36Å; Q22-M81 WeakPolarHBondContact O-CE 3.33Å; Q22-P84 HydrophobicContact CG-CG 4.41Å
23	S	79.1	Confident	81.3	Confident	46 Å²	46	84 Å²	84	32%	0.322	41%	0.41	S	S	.	.	H	α-helix	trans	-59	-37	176.7	-62.8	0	0	0	0	112.4	R18 T19 K20 A26 F27	R18-S23 WeakPolarHBondContact CB-OG 3.14Å; T19-S23 PolarHBondContact O-N 2.84Å; T19-S23 PolarHBondContact O-OG 3.31Å; K20-S23 PolarHBondContact O-N 2.97Å; S23-A26 WeakPolarHBondContact O-CB 3.46Å; S23-A26 PolarHBondContact O-N 2.77Å; S23-F27 PolarHBondContact O-N 2.9Å
24	E	84	Confident	82.5	Confident	150 Å²	150	81.3 Å²	81.3	70%	0.701	40%	0.401	S	S	*	.	H	α-helix	trans	-66.9	-41.4	173.2	-167.6	169.2	95.8	0	0	112.2	K20 S21 Q22 A26 F27 K28	K20-E24 PolarHBondContact O-N 3.41Å; S21-E24 PolarHBondContact O-N 3.07Å; Q22-E24 PolarHBondContact O-N 3.28Å; E24-A26 VanDerWaalsContact C-N 3.29Å; E24-A26 PolarHBondContact O-N 3.34Å; E24-F27 CarbonylContact O-C 3.56Å; E24-F27 WeakPolarHBondContact O-CB 3.33Å; E24-F27 PolarHBondContact O-N 3.41Å; E24-K28 WeakPolarHBondContact O-CB 3.35Å; E24-K28 PolarHBondContact O-N 2.89Å
25	G	80.6	Confident	83.3	Confident	33 Å²	33	85.6 Å²	85.6	34%	0.34	42%	0.419	S	S	.	.	H	α-helix	trans	-63.1	-32.6	172	0	0	0	0	0	113.4	S21 Q22 K28 G29 M81	S21-G25 PolarHBondContact O-N 2.84Å; Q22-G25 CarbonylContact O-C 3.41Å; Q22-G25 WeakPolarHBondContact O-CA 3.25Å; Q22-G25 PolarHBondContact O-N 2.99Å; G25-K28 CarbonylContact O-C 3.55Å; G25-K28 PolarHBondContact O-N 3.08Å; G25-G29 WeakPolarHBondContact O-CA 3.25Å; G25-G29 PolarHBondContact O-N 3.02Å; G25-M81 VanDerWaalsContact C-CE 3.44Å
26	A	81.9	Confident	84.3	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-70.5	-41	176.6	0	0	0	0	0	109.7	Q22 S23 E24 K28 G29 R79 M81 V93	Q22-A26 PolarHBondContact O-N 3.36Å; S23-A26 WeakPolarHBondContact O-CB 3.46Å; S23-A26 PolarHBondContact O-N 2.77Å; E24-A26 VanDerWaalsContact C-N 3.29Å; E24-A26 PolarHBondContact O-N 3.34Å; A26-K28 VanDerWaalsContact C-N 3.34Å; A26-G29 PolarHBondContact O-N 2.91Å; A26-G29 VanDerWaalsContact O-N 3.15Å; A26-R79 WeakPolarHBondContact O-CB 3.38Å; A26-R79 WeakPolarHBondContact O-CD 3.14Å; A26-M81 HydrophobicContact CB-CE 3.52Å; A26-M81 HydrophobicContact CB-SD 4.03Å; A26-V93 HydrophobicContact CB-CB 4.33Å; A26-V93 HydrophobicContact CB-CG2 3.59Å
27	F	81.1	Confident	85.1	Confident	132 Å²	132	77.1 Å²	77.1	58%	0.579	39%	0.39	S	S	*	.	H	α-helix	trans	-66.3	-37.2	172.4	-165.6	-93.4	0	0	0	111.3	S23 E24 G29 R79	S23-F27 PolarHBondContact O-N 2.9Å; E24-F27 CarbonylContact O-C 3.56Å; E24-F27 WeakPolarHBondContact O-CB 3.33Å; E24-F27 PolarHBondContact O-N 3.41Å; F27-G29 PolarHBondContact O-N 2.8Å; F27-R79 PolarHBondContact O-NH1 3.29Å
28	K	84.3	Confident	85.8	Confident	189 Å²	189	74.3 Å²	74.3	82%	0.822	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.4	173.5	-157.8	-178.4	175.2	-150.7	0	113.3	E24 G25 A26	E24-K28 WeakPolarHBondContact O-CB 3.35Å; E24-K28 PolarHBondContact O-N 2.89Å; G25-K28 CarbonylContact O-C 3.55Å; G25-K28 PolarHBondContact O-N 3.08Å; A26-K28 VanDerWaalsContact C-N 3.34Å
29	G	84	Confident	86.5	Confident	15 Å²	15	74.5 Å²	74.5	16%	0.155	38%	0.38	C	S	.	.	S	Bend	trans	-58.5	151.5	-179.4	0	0	0	0	0	111.5	G25 A26 F27 Y31 K80	G25-G29 WeakPolarHBondContact O-CA 3.25Å; G25-G29 PolarHBondContact O-N 3.02Å; A26-G29 PolarHBondContact O-N 2.91Å; A26-G29 VanDerWaalsContact O-N 3.15Å; F27-G29 PolarHBondContact O-N 2.8Å; G29-Y31 PolarHBondContact O-N 2.82Å; G29-K80 VanDerWaalsContact CA-O 3.28Å; G29-K80 WeakPolarHBondContact CA-O 3.48Å
30	E	86.9	Confident	86.8	Confident	121 Å²	121	72.8 Å²	72.8	57%	0.565	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.7	-179.7	-173	174.1	87.5	0	0	109.5	R79 K80	E30-R79 CarbonylContact O-C 3.56Å; E30-R79 VanDerWaalsContact O-CA 3.31Å; E30-R79 WeakPolarHBondContact O-CA 3.31Å; E30-K80 PolarHBondContact O-N 3.21Å; E30-K80 WeakPolarHBondContact OE1-CE 3.33Å; E30-K80 IonicContact OE1-NZ 2.63Å; E30-K80 PolarHBondContact OE1-NZ 2.7Å
31	Y	91.3	Very high	86.9	Confident	114 Å²	114	67.4 Å²	67.4	45%	0.447	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.6	174	175	-93.1	0	0	0	109.8	G29 I33 E77	G29-Y31 PolarHBondContact O-N 2.82Å; Y31-I33 HydrophobicContact CE1-CD1 4.06Å; Y31-I33 HydrophobicContact CE1-CG1 3.82Å; Y31-E77 HydrophobicContact CE2-CB 3.67Å; Y31-E77 HydrophobicContact CE2-CG 4.27Å; Y31-E77 WeakPolarHBondContact CE2-OE2 3.38Å; Y31-E77 VanDerWaalsContact OH-CB 3.31Å; Y31-E77 WeakPolarHBondContact OH-CB 3.41Å
32	G	92.6	Very high	87	Confident	11 Å²	11	70.6 Å²	70.6	11%	0.113	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.3	178.6	0	0	0	0	0	111.4	Y78	G32-Y78 PolarHBondContact N-O 3.22Å; G32-Y78 PolarHBondContact O-N 3.43Å
33	I	94.1	Very high	87.2	Confident	75 Å²	75	73.5 Å²	73.5	39%	0.385	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.3	171.5	-60.2	171.6	0	0	0	107.2	Y31 D51 V75 Y78	Y31-I33 HydrophobicContact CE1-CD1 4.06Å; Y31-I33 HydrophobicContact CE1-CG1 3.82Å; I33-D51 PolarHBondContact O-N 3.43Å; I33-V75 HydrophobicContact CG2-CG1 3.55Å; I33-Y78 PolarHBondContact O-OH 2.79Å
34	G	94.6	Very high	87.5	Confident	2 Å²	2	71.9 Å²	71.9	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	177	179.2	0	0	0	0	0	111.7	K49 V75 V76	G34-K49 CarbonylContact C-O 3.47Å; G34-K49 WeakPolarHBondContact CA-O 3.36Å; G34-V75 WeakPolarHBondContact O-CA 3.13Å; G34-V76 PolarHBondContact N-O 3Å; G34-V76 PolarHBondContact O-N 2.73Å
35	K	94.2	Very high	87.8	Confident	109 Å²	109	65.6 Å²	65.6	47%	0.474	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.5	179	-66.6	-179.9	-173.7	175	0	110.9	I37 K49 D74 V75	K35-I37 PolarHBondContact O-N 2.97Å; K35-K49 PolarHBondContact N-O 3.15Å; K35-K49 PolarHBondContact O-N 2.83Å; K35-D74 CarbonylContact C-O 3.54Å; K35-D74 WeakPolarHBondContact CA-O 3.46Å; K35-V75 HydrophobicContact CG-CG2 4.26Å
36	I	93.1	Very high	88.3	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.3	172.6	-62.3	-80.8	0	0	0	107.7	F39 I48 P70 I71 E72 G73 D74 V76	I36-F39 HydrophobicContact CG2-CB 3.96Å; I36-I48 HydrophobicContact CD1-CD1 4.09Å; I36-I48 HydrophobicContact CD1-CG1 3.44Å; I36-I48 VanDerWaalsContact CD1-CG1 3.44Å; I36-I48 HydrophobicContact CG1-CG1 4.42Å; I36-P70 HydrophobicContact CD1-CB 3.86Å; I36-P70 HydrophobicContact CD1-CG 4.35Å; I36-P70 HydrophobicContact CG1-CB 3.88Å; I36-I71 VanDerWaalsContact CB-O 3.26Å; I36-I71 WeakPolarHBondContact CB-O 3.44Å; I36-I71 VanDerWaalsContact CG2-O 3.32Å; I36-I71 WeakPolarHBondContact CG2-O 3.39Å; I36-E72 WeakPolarHBondContact O-CA 3.36Å; I36-G73 PolarHBondContact O-N 3.49Å; I36-D74 HydrophobicContact CB-CB 4.35Å; I36-D74 HydrophobicContact CG1-CB 4.1Å; I36-D74 PolarHBondContact N-O 2.92Å; I36-V76 HydrophobicContact CD1-CG1 4.14Å; I36-V76 HydrophobicContact CD1-CG2 4.1Å; I36-V76 HydrophobicContact CG1-CG1 3.72Å; I36-V76 HydrophobicContact CG1-CG2 4.11Å
37	I	92.3	Very high	88.8	Confident	68 Å²	68	64.9 Å²	64.9	35%	0.349	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-24.9	177.6	54.9	159	0	0	0	112.7	K35 F47 K49 C56	K35-I37 PolarHBondContact O-N 2.97Å; I37-F47 HydrophobicContact CD1-CB 3.89Å; I37-F47 HydrophobicContact CG1-CB 3.79Å; I37-F47 VanDerWaalsContact CG1-O 3.25Å; I37-F47 WeakPolarHBondContact CG1-O 3.48Å; I37-F47 PolarHBondContact N-O 3.04Å; I37-F47 VanDerWaalsContact N-O 3.08Å; I37-K49 HydrophobicContact CG2-CB 3.46Å; I37-K49 VanDerWaalsContact CG2-CB 3.46Å; I37-K49 HydrophobicContact CG2-CD 4.16Å; I37-K49 HydrophobicContact CG2-CG 4.46Å; I37-C56 HydrophobicContact CD1-CB 4.05Å; I37-C56 WeakPolarHBondContact CD1-SG 3.4Å
38	S	90	Very high	89.4	Confident	43 Å²	43	58.6 Å²	58.6	30%	0.301	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	125.8	178.8	-179.5	0	0	0	0	108.2	G46 F47	S38-G46 CarbonylContact O-C 3.59Å; S38-G46 WeakPolarHBondContact O-CA 3.42Å; S38-F47 PolarHBondContact O-N 2.85Å
39	F	90.3	Very high	89.8	Confident	30 Å²	30	55 Å²	55	13%	0.132	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127.8	173.6	-174.3	-94.7	0	0	0	110	I36 R41 V59 V61 I64 V69 P70 W108	I36-F39 HydrophobicContact CG2-CB 3.96Å; F39-R41 HydrophobicContact CE1-CB 4.37Å; F39-V59 HydrophobicContact CD2-CG1 4.42Å; F39-V61 HydrophobicContact CZ-CB 4.26Å; F39-I64 HydrophobicContact CD2-CD1 4.05Å; F39-I64 HydrophobicContact CE2-CD1 3.31Å; F39-I64 HydrophobicContact CZ-CD1 3.73Å; F39-V69 HydrophobicContact CD1-CG1 3.85Å; F39-V69 HydrophobicContact CE1-CG1 3.77Å; F39-P70 HydrophobicContact CB-CG 4.44Å; F39-P70 HydrophobicContact CD1-CG 3.91Å; F39-P70 WeakPolarHBondContact CD1-O 3.5Å; F39-P70 HydrophobicContact CD2-CG 3.86Å; F39-P70 HydrophobicContact CE1-CG 4.14Å; F39-P70 HydrophobicContact CE2-CG 4.1Å; F39-P70 HydrophobicContact CG-CG 3.78Å; F39-P70 HydrophobicContact CZ-CG 4.24Å; F39-W108 AromaticContact CE1-CH2 3.67Å; F39-W108 HydrophobicContact CE1-CH2 3.67Å; F39-W108 HydrophobicContact CE1-CZ3 4.16Å; F39-W108 AromaticContact CZ-CH2 3.66Å; F39-W108 HydrophobicContact CZ-CH2 3.66Å; F39-W108 HydrophobicContact CZ-CZ3 4.33Å
40	C	87.1	Confident	90.2	Very high	52 Å²	52	54.5 Å²	54.5	35%	0.351	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.5	177.7	-69.7	0	0	0	0	109.4	D42 K43 G44 H45	C40-D42 VanDerWaalsContact C-N 3.28Å; C40-D42 PolarHBondContact O-N 3.39Å; C40-K43 HydrophobicContact CB-CB 3.92Å; C40-K43 HydrophobicContact CB-CD 4.33Å; C40-K43 HydrophobicContact CB-CG 4.01Å; C40-K43 CarbonylContact O-C 3.53Å; C40-K43 PolarHBondContact O-N 2.72Å; C40-G44 PolarHBondContact O-N 2.89Å; C40-H45 PolarHBondContact N-O 3.27Å; C40-H45 PolarHBondContact O-N 3.48Å
41	R	82.4	Confident	90.4	Very high	76 Å²	76	54.7 Å²	54.7	29%	0.287	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-43.6	173.2	176.3	-179.8	175.7	-172.3	2.1	112	F39 K43 G44 V69 W108 E110 A112	F39-R41 HydrophobicContact CE1-CB 4.37Å; R41-K43 VanDerWaalsContact C-N 3.32Å; R41-K43 PolarHBondContact O-N 2.78Å; R41-G44 PolarHBondContact O-N 2.77Å; R41-V69 HydrophobicContact CB-CG1 4.37Å; R41-W108 HydrophobicContact CG-CZ3 4.19Å; R41-W108 PolarHBondContact NH2-O 3.03Å; R41-E110 PolarHBondContact NH1-O 3.18Å; R41-E110 PolarHBondContact NH2-O 3.42Å; R41-A112 VanDerWaalsContact NH1-CA 3.33Å
42	D	83.6	Confident	90	Very high	158 Å²	158	55.7 Å²	55.7	85%	0.845	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-41.1	-178.7	-162.6	-98.5	0	0	0	112	C40 G44	C40-D42 VanDerWaalsContact C-N 3.28Å; C40-D42 PolarHBondContact O-N 3.39Å; D42-G44 VanDerWaalsContact C-N 3.35Å
43	K	83.6	Confident	89.2	Confident	118 Å²	118	58 Å²	58	51%	0.513	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.6	175.2	-55.5	-170.7	177.1	-176	0	113.8	C40 R41 H45	C40-K43 HydrophobicContact CB-CB 3.92Å; C40-K43 HydrophobicContact CB-CD 4.33Å; C40-K43 HydrophobicContact CB-CG 4.01Å; C40-K43 CarbonylContact O-C 3.53Å; C40-K43 PolarHBondContact O-N 2.72Å; R41-K43 VanDerWaalsContact C-N 3.32Å; R41-K43 PolarHBondContact O-N 2.78Å; K43-H45 VanDerWaalsContact C-N 3.27Å; K43-H45 WeakPolarHBondContact CB-CE1 3.26Å; K43-H45 WeakPolarHBondContact CB-ND1 3.32Å; K43-H45 PolarHBondContact O-N 2.82Å; K43-H45 PolarHBondContact O-ND1 2.78Å
44	G	85.7	Confident	88.5	Confident	11 Å²	11	57.8 Å²	57.8	11%	0.113	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	18.2	-177.9	0	0	0	0	0	115.6	C40 R41 D42 H60 V61	C40-G44 PolarHBondContact O-N 2.89Å; R41-G44 PolarHBondContact O-N 2.77Å; D42-G44 VanDerWaalsContact C-N 3.35Å; G44-H60 PolarHBondContact O-CD2 2.9Å; G44-H60 PolarHBondContact O-NE2 2.72Å; G44-V61 WeakPolarHBondContact O-CB 3.39Å; G44-V61 VanDerWaalsContact O-CG1 3.31Å; G44-V61 WeakPolarHBondContact O-CG1 3.26Å; G44-V61 PolarHBondContact O-N 2.71Å
45	H	90	Very high	88.1	Confident	19 Å²	19	64.1 Å²	64.1	9%	0.088	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	166	-178.4	67.5	-91.7	0	0	0	112.9	C40 K43 F58 V59	C40-H45 PolarHBondContact N-O 3.27Å; C40-H45 PolarHBondContact O-N 3.48Å; K43-H45 VanDerWaalsContact C-N 3.27Å; K43-H45 WeakPolarHBondContact CB-CE1 3.26Å; K43-H45 WeakPolarHBondContact CB-ND1 3.32Å; K43-H45 PolarHBondContact O-N 2.82Å; K43-H45 PolarHBondContact O-ND1 2.78Å; H45-F58 HydrophobicContact CB-CE2 3.61Å; H45-F58 HydrophobicContact CB-CZ 3.77Å; H45-F58 AromaticContact CD2-CE2 3.84Å; H45-F58 AromaticContact CG-CE2 3.84Å; H45-V59 CarbonylContact C-O 3.59Å; H45-V59 VanDerWaalsContact CA-O 3.32Å; H45-V59 WeakPolarHBondContact CA-O 3.22Å; H45-V59 WeakPolarHBondContact CB-O 3.2Å
46	G	91.3	Very high	87.9	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	-165.1	176.5	0	0	0	0	0	112.8	S38 V59	S38-G46 CarbonylContact O-C 3.59Å; S38-G46 WeakPolarHBondContact O-CA 3.42Å; G46-V59 VanDerWaalsContact C-CG1 3.41Å; G46-V59 PolarHBondContact N-O 2.84Å; G46-V59 WeakPolarHBondContact O-CG1 3.44Å; G46-V59 PolarHBondContact O-N 3.34Å
47	F	93.1	Very high	87.7	Confident	17 Å²	17	61.6 Å²	61.6	8%	0.075	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	134.1	-177.1	-62.8	-84.1	0	0	0	110.6	M6 I37 S38 C56 L57 F58	M6-F47 HydrophobicContact CB-CE1 4.49Å; M6-F47 HydrophobicContact CB-CE2 3.97Å; M6-F47 HydrophobicContact CB-CZ 3.69Å; M6-F47 HydrophobicContact CG-CE2 3.96Å; M6-F47 HydrophobicContact CG-CZ 4.01Å; M6-F47 HydrophobicContact SD-CD2 4.19Å; M6-F47 HydrophobicContact SD-CE2 3.81Å; M6-F47 HydrophobicContact SD-CZ 4.45Å; I37-F47 HydrophobicContact CD1-CB 3.89Å; I37-F47 HydrophobicContact CG1-CB 3.79Å; I37-F47 VanDerWaalsContact CG1-O 3.25Å; I37-F47 WeakPolarHBondContact CG1-O 3.48Å; I37-F47 PolarHBondContact N-O 3.04Å; I37-F47 VanDerWaalsContact N-O 3.08Å; S38-F47 PolarHBondContact O-N 2.85Å; F47-C56 HydrophobicContact CB-CB 4.33Å; F47-C56 HydrophobicContact CD1-CB 4.38Å; F47-L57 CarbonylContact C-O 3.56Å; F47-L57 VanDerWaalsContact CA-O 3.3Å; F47-L57 WeakPolarHBondContact CA-O 3.45Å; F47-F58 HydrophobicContact CE1-CD2 4.28Å; F47-F58 HydrophobicContact CZ-CD2 4.5Å
48	I	93.3	Very high	87.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131	174.4	-65.6	161.9	0	0	0	108.4	I36 P50 C56 L57 V59 V76 Y78 A92 V95	I36-I48 HydrophobicContact CD1-CD1 4.09Å; I36-I48 HydrophobicContact CD1-CG1 3.44Å; I36-I48 VanDerWaalsContact CD1-CG1 3.44Å; I36-I48 HydrophobicContact CG1-CG1 4.42Å; I48-P50 VanDerWaalsContact O-CD 3.22Å; I48-P50 WeakPolarHBondContact O-CD 3.35Å; I48-C56 CarbonylContact O-C 3.49Å; I48-C56 WeakPolarHBondContact O-CA 3.39Å; I48-L57 HydrophobicContact CB-CB 4.47Å; I48-L57 PolarHBondContact N-O 2.8Å; I48-L57 PolarHBondContact O-N 3.41Å; I48-V59 HydrophobicContact CD1-CB 3.74Å; I48-V59 HydrophobicContact CD1-CG1 3.88Å; I48-V59 HydrophobicContact CD1-CG2 4.09Å; I48-V59 HydrophobicContact CG1-CB 4.25Å; I48-V59 HydrophobicContact CG1-CG1 3.86Å; I48-V76 HydrophobicContact CD1-CG2 3.7Å; I48-V76 HydrophobicContact CG1-CG2 3.91Å; I48-V76 HydrophobicContact CG2-CG2 3.99Å; I48-Y78 HydrophobicContact CD1-CD1 4.2Å; I48-Y78 HydrophobicContact CG2-CD1 3.88Å; I48-Y78 HydrophobicContact CG2-CE1 3.49Å; I48-Y78 VanDerWaalsContact CG2-CE1 3.49Å; I48-A92 HydrophobicContact CD1-CB 3.59Å; I48-V95 HydrophobicContact CD1-CG1 3.74Å; I48-V95 HydrophobicContact CD1-CG2 3.95Å
49	K	93	Very high	87.6	Confident	113 Å²	113	56.8 Å²	56.8	49%	0.491	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	108.3	170.2	-174.3	167.5	-175.6	172.1	0	109.8	G34 K35 I37	G34-K49 CarbonylContact C-O 3.47Å; G34-K49 WeakPolarHBondContact CA-O 3.36Å; K35-K49 PolarHBondContact N-O 3.15Å; K35-K49 PolarHBondContact O-N 2.83Å; I37-K49 HydrophobicContact CG2-CB 3.46Å; I37-K49 VanDerWaalsContact CG2-CB 3.46Å; I37-K49 HydrophobicContact CG2-CD 4.16Å; I37-K49 HydrophobicContact CG2-CG 4.46Å
50	P	92.7	Very high	87.6	Confident	5 Å²	5	56 Å²	56	3%	0.032	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	142	171.4	7.4	-17.7	0	0	0	111.9	I48 N52 G53 D54 D55 L57 Y78	I48-P50 VanDerWaalsContact O-CD 3.22Å; I48-P50 WeakPolarHBondContact O-CD 3.35Å; P50-N52 PolarHBondContact O-N 3.25Å; P50-G53 PolarHBondContact O-N 2.98Å; P50-D54 HydrophobicContact CB-CB 4.18Å; P50-D54 HydrophobicContact CG-CB 3.56Å; P50-D55 VanDerWaalsContact CD-O 3.31Å; P50-D55 WeakPolarHBondContact CD-O 3.31Å; P50-D55 WeakPolarHBondContact CG-O 3.25Å; P50-L57 HydrophobicContact CG-CD1 4.26Å; P50-L57 HydrophobicContact CG-CG 4.28Å; P50-Y78 WeakPolarHBondContact CA-OH 3.29Å; P50-Y78 WeakPolarHBondContact CB-OH 3.24Å
51	D	89.1	Confident	87.7	Confident	124 Å²	124	55 Å²	55	66%	0.663	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.2	172.7	-165.1	68.7	0	0	0	112	I33 G53	I33-D51 PolarHBondContact O-N 3.43Å; D51-G53 PolarHBondContact O-N 2.61Å
52	N	83.6	Confident	88	Confident	135 Å²	135	54.6 Å²	54.6	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-8	175.2	-72.6	14.8	0	0	0	114.3	P50	P50-N52 PolarHBondContact O-N 3.25Å
53	G	76.4	Confident	88.3	Confident	60 Å²	60	47.1 Å²	47.1	62%	0.619	26%	0.257	S	S	*	.	S	Bend	trans	80.7	13.1	-178.9	0	0	0	0	0	114.8	P50 D51	P50-G53 PolarHBondContact O-N 2.98Å; D51-G53 PolarHBondContact O-N 2.61Å
54	D	80.1	Confident	88.6	Confident	71 Å²	71	42 Å²	42	38%	0.38	24%	0.236	S	C	.	.			trans	-70.4	174.4	173.2	-162.3	-99.4	0	0	0	111.3	P50	P50-D54 HydrophobicContact CB-CB 4.18Å; P50-D54 HydrophobicContact CG-CB 3.56Å
55	D	85.5	Confident	88.6	Confident	135 Å²	135	44.5 Å²	44.5	72%	0.722	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-64.1	159.8	179.5	-94.2	-73.9	0	0	0	112.3	P50 L57	P50-D55 VanDerWaalsContact CD-O 3.31Å; P50-D55 WeakPolarHBondContact CD-O 3.31Å; P50-D55 WeakPolarHBondContact CG-O 3.25Å; D55-L57 PolarHBondContact O-N 3.37Å
56	C	88.8	Confident	88.3	Confident	54 Å²	54	45.8 Å²	45.8	37%	0.365	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-64.8	120.3	178.9	-62.6	0	0	0	0	110.4	I37 F47 I48	I37-C56 HydrophobicContact CD1-CB 4.05Å; I37-C56 WeakPolarHBondContact CD1-SG 3.4Å; F47-C56 HydrophobicContact CB-CB 4.33Å; F47-C56 HydrophobicContact CD1-CB 4.38Å; I48-C56 CarbonylContact O-C 3.49Å; I48-C56 WeakPolarHBondContact O-CA 3.39Å
57	L	90.7	Very high	87.9	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.9	-177.6	-60.2	175.1	0	0	0	110.2	F47 I48 P50 D55 V59 Y78 K80 Y90 A92	F47-L57 CarbonylContact C-O 3.56Å; F47-L57 VanDerWaalsContact CA-O 3.3Å; F47-L57 WeakPolarHBondContact CA-O 3.45Å; I48-L57 HydrophobicContact CB-CB 4.47Å; I48-L57 PolarHBondContact N-O 2.8Å; I48-L57 PolarHBondContact O-N 3.41Å; P50-L57 HydrophobicContact CG-CD1 4.26Å; P50-L57 HydrophobicContact CG-CG 4.28Å; D55-L57 PolarHBondContact O-N 3.37Å; L57-V59 PolarHBondContact O-N 3.15Å; L57-Y78 HydrophobicContact CD1-CD2 3.87Å; L57-Y78 HydrophobicContact CD1-CE1 4.42Å; L57-Y78 HydrophobicContact CD1-CE2 3.07Å; L57-Y78 VanDerWaalsContact CD1-CZ 3.42Å; L57-K80 HydrophobicContact CD1-CD 3.98Å; L57-K80 HydrophobicContact CD1-CG 3.85Å; L57-K80 HydrophobicContact CD2-CD 4.43Å; L57-Y90 HydrophobicContact CD2-CG 4.44Å; L57-A92 HydrophobicContact CB-CB 4.13Å
58	F	89.8	Confident	87.6	Confident	10 Å²	10	56.5 Å²	56.5	4%	0.044	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.9	173.1	177.8	-101.2	0	0	0	110	I8 P9 I12 H45 F47 H60 Q91 A92	I8-F58 HydrophobicContact CG2-CE2 3.96Å; I8-F58 HydrophobicContact CG2-CZ 4.16Å; P9-F58 HydrophobicContact CG-CD1 3.61Å; P9-F58 HydrophobicContact CG-CD2 4.38Å; P9-F58 HydrophobicContact CG-CE1 3.72Å; P9-F58 HydrophobicContact CG-CE2 4.47Å; P9-F58 HydrophobicContact CG-CG 3.95Å; P9-F58 HydrophobicContact CG-CZ 4.16Å; I12-F58 HydrophobicContact CG2-CE1 4.23Å; I12-F58 HydrophobicContact CG2-CZ 4.29Å; H45-F58 HydrophobicContact CB-CE2 3.61Å; H45-F58 HydrophobicContact CB-CZ 3.77Å; H45-F58 AromaticContact CD2-CE2 3.84Å; H45-F58 AromaticContact CG-CE2 3.84Å; F47-F58 HydrophobicContact CE1-CD2 4.28Å; F47-F58 HydrophobicContact CZ-CD2 4.5Å; F58-H60 HydrophobicContact CE1-CB 4.13Å; F58-Q91 HydrophobicContact CD1-CB 4.48Å; F58-Q91 CarbonylContact O-C 3.58Å; F58-Q91 VanDerWaalsContact O-CA 3.3Å; F58-Q91 WeakPolarHBondContact O-CA 3.47Å; F58-Q91 WeakPolarHBondContact O-CB 3.37Å; F58-A92 PolarHBondContact O-N 2.72Å
59	V	90.4	Very high	87.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.9	171.8	55.9	0	0	0	0	109.7	F39 H45 G46 I48 L57 I64 A92 V95	F39-V59 HydrophobicContact CD2-CG1 4.42Å; H45-V59 CarbonylContact C-O 3.59Å; H45-V59 VanDerWaalsContact CA-O 3.32Å; H45-V59 WeakPolarHBondContact CA-O 3.22Å; H45-V59 WeakPolarHBondContact CB-O 3.2Å; G46-V59 VanDerWaalsContact C-CG1 3.41Å; G46-V59 PolarHBondContact N-O 2.84Å; G46-V59 WeakPolarHBondContact O-CG1 3.44Å; G46-V59 PolarHBondContact O-N 3.34Å; I48-V59 HydrophobicContact CD1-CB 3.74Å; I48-V59 HydrophobicContact CD1-CG1 3.88Å; I48-V59 HydrophobicContact CD1-CG2 4.09Å; I48-V59 HydrophobicContact CG1-CB 4.25Å; I48-V59 HydrophobicContact CG1-CG1 3.86Å; L57-V59 PolarHBondContact O-N 3.15Å; V59-I64 HydrophobicContact CG2-CD1 3.8Å; V59-I64 HydrophobicContact CG2-CG1 3.61Å; V59-A92 HydrophobicContact CB-CB 4.24Å; V59-V95 HydrophobicContact CB-CG2 4.42Å; V59-V95 HydrophobicContact CG2-CB 4.21Å; V59-V95 HydrophobicContact CG2-CG1 4.41Å; V59-V95 HydrophobicContact CG2-CG2 3.57Å
60	H	90.6	Very high	87	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.065	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	150.5	173.5	-164	-93	0	0	0	110.6	I12 H14 G44 F58 F62 D63 I64	I12-H60 VanDerWaalsContact CG2-CD2 3.47Å; I12-H60 WeakPolarHBondContact CG2-CD2 3.45Å; H14-H60 HydrophobicContact CB-CB 3.97Å; H14-H60 AromaticContact CD2-CE1 3.49Å; H14-H60 PolarHBondContact CD2-CE1 3.33Å; H14-H60 VanDerWaalsContact CD2-CE1 3.49Å; H14-H60 AromaticContact CD2-CG 3.97Å; H14-H60 AromaticContact CD2-ND1 3.54Å; H14-H60 AromaticContact CD2-NE2 3.83Å; H14-H60 AromaticContact CG-ND1 3.83Å; G44-H60 PolarHBondContact O-CD2 2.9Å; G44-H60 PolarHBondContact O-NE2 2.72Å; F58-H60 HydrophobicContact CE1-CB 4.13Å; H60-F62 AromaticContact CE1-CD2 3.2Å; H60-F62 WeakPolarHBondContact CE1-CD2 3.07Å; H60-F62 AromaticContact CE1-CE2 3.61Å; H60-F62 AromaticContact ND1-CD2 3.35Å; H60-F62 VanDerWaalsContact ND1-CD2 3.35Å; H60-F62 WeakPolarHBondContact ND1-CD2 3.3Å; H60-F62 AromaticContact ND1-CG 3.8Å; H60-F62 PolarHBondContact ND1-N 2.97Å; H60-F62 PolarHBondContact O-N 3.26Å; H60-D63 WeakPolarHBondContact O-CB 3.06Å; H60-D63 PolarHBondContact O-N 3.04Å; H60-I64 PolarHBondContact O-N 3.02Å
61	V	88.7	Confident	86.9	Confident	30 Å²	30	53.1 Å²	53.1	18%	0.182	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-54.3	-39	178.1	62.3	0	0	0	0	112.8	F39 G44 D63 I64 W108	F39-V61 HydrophobicContact CZ-CB 4.26Å; G44-V61 WeakPolarHBondContact O-CB 3.39Å; G44-V61 VanDerWaalsContact O-CG1 3.31Å; G44-V61 WeakPolarHBondContact O-CG1 3.26Å; G44-V61 PolarHBondContact O-N 2.71Å; V61-D63 PolarHBondContact O-N 2.79Å; V61-I64 PolarHBondContact O-N 2.86Å; V61-I64 VanDerWaalsContact O-N 3.15Å; V61-W108 HydrophobicContact CB-CH2 4.37Å; V61-W108 HydrophobicContact CG2-CE3 4.04Å; V61-W108 HydrophobicContact CG2-CH2 3.38Å; V61-W108 HydrophobicContact CG2-CZ2 3.93Å; V61-W108 HydrophobicContact CG2-CZ3 3.42Å; V61-W108 VanDerWaalsContact CG2-CZ3 3.42Å
62	F	87.6	Confident	86.9	Confident	69 Å²	69	53.8 Å²	53.8	30%	0.303	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-70	-13.5	177.8	-64	-48.5	0	0	0	114.8	H14 K15 R16 H60	H14-F62 HydrophobicContact CB-CB 4.23Å; H14-F62 AromaticContact CD2-CD2 3.76Å; H14-F62 AromaticContact CE1-CD2 3.86Å; H14-F62 AromaticContact CG-CD2 3.85Å; H14-F62 AromaticContact ND1-CD2 3.92Å; H14-F62 AromaticContact NE2-CD2 3.76Å; K15-F62 WeakPolarHBondContact CB-O 3.39Å; R16-F62 HydrophobicContact CG-CB 4.49Å; R16-F62 HydrophobicContact CG-CD1 4.46Å; R16-F62 HydrophobicContact CG-CD2 4.44Å; R16-F62 HydrophobicContact CG-CG 4.22Å; R16-F62 VanDerWaalsContact NH1-CE1 3.28Å; R16-F62 VanDerWaalsContact NH1-CZ 3.3Å; H60-F62 AromaticContact CE1-CD2 3.2Å; H60-F62 WeakPolarHBondContact CE1-CD2 3.07Å; H60-F62 AromaticContact CE1-CE2 3.61Å; H60-F62 AromaticContact ND1-CD2 3.35Å; H60-F62 VanDerWaalsContact ND1-CD2 3.35Å; H60-F62 WeakPolarHBondContact ND1-CD2 3.3Å; H60-F62 AromaticContact ND1-CG 3.8Å; H60-F62 PolarHBondContact ND1-N 2.97Å; H60-F62 PolarHBondContact O-N 3.26Å
63	D	89.5	Confident	87.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-95.4	-7.7	174.7	-86.1	-77.6	0	0	0	113.1	H14 K15 R18 H60 V61 H94 V95	H14-D63 WeakPolarHBondContact CA-OD2 3.49Å; H14-D63 WeakPolarHBondContact CB-OD2 3.31Å; K15-D63 PolarHBondContact N-OD2 2.94Å; R18-D63 IonicContact CZ-OD1 3.16Å; R18-D63 IonicContact CZ-OD2 2.73Å; R18-D63 IonicContact NH1-OD1 2.72Å; R18-D63 PolarHBondContact NH1-OD1 3.41Å; R18-D63 IonicContact NH2-OD1 3.35Å; R18-D63 PolarHBondContact NH2-OD1 3.35Å; R18-D63 IonicContact NH2-OD2 3.81Å; R18-D63 PolarHBondContact NH2-OD2 2.84Å; H60-D63 WeakPolarHBondContact O-CB 3.06Å; H60-D63 PolarHBondContact O-N 3.04Å; V61-D63 PolarHBondContact O-N 2.79Å; D63-H94 PolarHBondContact O-N 2.63Å; D63-V95 PolarHBondContact O-N 3.46Å
64	I	89.9	Confident	87.8	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.062	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118	173.5	-63.4	158	0	0	0	108.6	F39 V59 H60 V61 P70 V95 W108	F39-I64 HydrophobicContact CD2-CD1 4.05Å; F39-I64 HydrophobicContact CE2-CD1 3.31Å; F39-I64 HydrophobicContact CZ-CD1 3.73Å; V59-I64 HydrophobicContact CG2-CD1 3.8Å; V59-I64 HydrophobicContact CG2-CG1 3.61Å; H60-I64 PolarHBondContact O-N 3.02Å; V61-I64 PolarHBondContact O-N 2.86Å; V61-I64 VanDerWaalsContact O-N 3.15Å; I64-P70 HydrophobicContact CD1-CG 3.54Å; I64-P70 HydrophobicContact CG1-CG 4.47Å; I64-V95 CarbonylContact C-O 3.49Å; I64-V95 WeakPolarHBondContact CA-O 3.34Å; I64-V95 HydrophobicContact CG1-CB 3.97Å; I64-V95 HydrophobicContact CG1-CG1 4.16Å; I64-W108 HydrophobicContact CG2-CZ2 4.3Å
65	D	85.9	Confident	88.5	Confident	63 Å²	63	44.7 Å²	44.7	34%	0.337	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	107.9	173.2	-75.2	-50	0	0	0	108.4	K15 H94 V95	K15-D65 IonicContact NZ-OD1 3.56Å; K15-D65 PolarHBondContact NZ-OD1 3.23Å; K15-D65 IonicContact NZ-OD2 2.9Å; K15-D65 PolarHBondContact NZ-OD2 2.85Å; D65-H94 IonicContact OD2-ND1 2.95Å; D65-V95 PolarHBondContact N-O 3.23Å
66	G	83.8	Confident	88.9	Confident	45 Å²	45	38.2 Å²	38.2	46%	0.464	21%	0.21	S	C	.	.	S	Bend	trans	155.4	166.8	179.1	0	0	0	0	0	113	W108	G66-W108 PolarHBondContact O-NE1 3.3Å
67	E	83.4	Confident	89.2	Confident	145 Å²	145	37.5 Å²	37.5	68%	0.678	20%	0.202	S	C	*	.	S	Bend	trans	-90.6	-19.1	-179.3	-57.2	178.8	105.9	0	0	112.5	T107 W108	E67-T107 CarbonylContact O-C 3.52Å; E67-T107 VanDerWaalsContact O-CA 3.24Å; E67-T107 WeakPolarHBondContact O-CA 3.28Å; E67-W108 VanDerWaalsContact C-CD1 3.46Å; E67-W108 PolarHBondContact O-N 3.3Å
68	Y	86.1	Confident	89.3	Confident	99 Å²	99	37.6 Å²	37.6	39%	0.388	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-92.5	139.3	-177.2	-58.2	-71.8	0	0	0	111.4	L100 H105 T107	Y68-L100 HydrophobicContact CD2-CD2 4.06Å; Y68-L100 HydrophobicContact CG-CD2 4.11Å; Y68-H105 HydrophobicContact CD1-CB 3.87Å; Y68-H105 HydrophobicContact CG-CB 4.33Å; Y68-T107 HydrophobicContact CD1-CG2 4Å; Y68-T107 HydrophobicContact CE1-CG2 4.01Å
69	V	87.6	Confident	89.4	Confident	13 Å²	13	40.1 Å²	40.1	8%	0.079	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-72.7	124.5	169	-176.9	0	0	0	0	107.7	F39 R41 H105 K106 W108	F39-V69 HydrophobicContact CD1-CG1 3.85Å; F39-V69 HydrophobicContact CE1-CG1 3.77Å; R41-V69 HydrophobicContact CB-CG1 4.37Å; V69-H105 PolarHBondContact O-ND1 3.32Å; V69-K106 WeakPolarHBondContact CB-O 3.5Å; V69-K106 HydrophobicContact CG2-CB 4.4Å; V69-K106 WeakPolarHBondContact CG2-O 3.37Å; V69-K106 PolarHBondContact N-O 3.3Å; V69-W108 HydrophobicContact CB-CH2 4.33Å; V69-W108 HydrophobicContact CB-CZ3 4.46Å; V69-W108 HydrophobicContact CG1-CH2 4.14Å; V69-W108 HydrophobicContact CG1-CZ3 4.27Å; V69-W108 HydrophobicContact CG2-CD2 3.94Å; V69-W108 HydrophobicContact CG2-CE3 3.71Å; V69-W108 HydrophobicContact CG2-CH2 4.08Å; V69-W108 HydrophobicContact CG2-CZ2 4.34Å; V69-W108 HydrophobicContact CG2-CZ3 3.79Å
70	P	87.9	Confident	89.3	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.019	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-67.9	137.1	175.6	25.5	-29.8	0	0	0	110.1	I36 F39 I64 D74 I97	I36-P70 HydrophobicContact CD1-CB 3.86Å; I36-P70 HydrophobicContact CD1-CG 4.35Å; I36-P70 HydrophobicContact CG1-CB 3.88Å; F39-P70 HydrophobicContact CB-CG 4.44Å; F39-P70 HydrophobicContact CD1-CG 3.91Å; F39-P70 WeakPolarHBondContact CD1-O 3.5Å; F39-P70 HydrophobicContact CD2-CG 3.86Å; F39-P70 HydrophobicContact CE1-CG 4.14Å; F39-P70 HydrophobicContact CE2-CG 4.1Å; F39-P70 HydrophobicContact CG-CG 3.78Å; F39-P70 HydrophobicContact CZ-CG 4.24Å; I64-P70 HydrophobicContact CD1-CG 3.54Å; I64-P70 HydrophobicContact CG1-CG 4.47Å; P70-D74 WeakPolarHBondContact CA-OD2 3.49Å; P70-I97 HydrophobicContact CB-CD1 4.19Å
71	I	88.7	Confident	89.1	Confident	31 Å²	31	41.3 Å²	41.3	16%	0.159	22%	0.216	C	C	.	.			trans	-113.9	161.7	177.8	57.3	170.1	0	0	0	109.9	I36 G73 D74 N101 E103	I36-I71 VanDerWaalsContact CB-O 3.26Å; I36-I71 WeakPolarHBondContact CB-O 3.44Å; I36-I71 VanDerWaalsContact CG2-O 3.32Å; I36-I71 WeakPolarHBondContact CG2-O 3.39Å; I71-G73 PolarHBondContact O-N 3.38Å; I71-D74 WeakPolarHBondContact CG1-OD2 3.39Å; I71-D74 PolarHBondContact N-OD2 3.38Å; I71-D74 WeakPolarHBondContact O-CB 3.5Å; I71-D74 PolarHBondContact O-N 2.83Å; I71-N101 HydrophobicContact CD1-CB 4Å; I71-N101 HydrophobicContact CG1-CB 4.38Å; I71-E103 HydrophobicContact CD1-CB 3.24Å; I71-E103 HydrophobicContact CD1-CG 4.36Å
72	E	90.1	Very high	88.9	Confident	137 Å²	137	42.8 Å²	42.8	64%	0.64	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	135.7	175.1	59.5	-175.4	106.4	0	0	111.6	I36 N101	I36-E72 WeakPolarHBondContact O-CA 3.36Å; E72-N101 PolarHBondContact O-ND2 3.35Å
73	G	88.9	Confident	88.6	Confident	38 Å²	38	40.2 Å²	40.2	39%	0.392	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-12.5	-176.6	0	0	0	0	0	115.3	I36 I71	I36-G73 PolarHBondContact O-N 3.49Å; I71-G73 PolarHBondContact O-N 3.38Å
74	D	91	Very high	87.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.			trans	-63.1	137.1	175.7	-81.7	-34.2	0	0	0	112.8	K35 I36 P70 I71 V76 I97 L100 N101 H105	K35-D74 CarbonylContact C-O 3.54Å; K35-D74 WeakPolarHBondContact CA-O 3.46Å; I36-D74 HydrophobicContact CB-CB 4.35Å; I36-D74 HydrophobicContact CG1-CB 4.1Å; I36-D74 PolarHBondContact N-O 2.92Å; P70-D74 WeakPolarHBondContact CA-OD2 3.49Å; I71-D74 WeakPolarHBondContact CG1-OD2 3.39Å; I71-D74 PolarHBondContact N-OD2 3.38Å; I71-D74 WeakPolarHBondContact O-CB 3.5Å; I71-D74 PolarHBondContact O-N 2.83Å; D74-V76 HydrophobicContact CB-CG1 4.27Å; D74-I97 HydrophobicContact CB-CG2 4.47Å; D74-L100 WeakPolarHBondContact OD1-CA 2.91Å; D74-N101 WeakPolarHBondContact OD1-CB 2.98Å; D74-N101 PolarHBondContact OD1-N 2.9Å; D74-H105 IonicContact OD1-CE1 3.71Å; D74-H105 PolarHBondContact OD1-CE1 3.05Å; D74-H105 IonicContact OD1-NE2 3.37Å; D74-H105 PolarHBondContact OD1-NE2 3.27Å; D74-H105 IonicContact OD2-CE1 2.96Å; D74-H105 PolarHBondContact OD2-CE1 3.42Å; D74-H105 IonicContact OD2-ND1 3.75Å
75	V	93.3	Very high	87.1	Confident	37 Å²	37	45.4 Å²	45.4	22%	0.224	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.3	170.2	-169.6	0	0	0	0	108.2	I33 G34 K35 V98 N99	I33-V75 HydrophobicContact CG2-CG1 3.55Å; G34-V75 WeakPolarHBondContact O-CA 3.13Å; K35-V75 HydrophobicContact CG-CG2 4.26Å; V75-V98 HydrophobicContact CB-CG2 3.97Å; V75-V98 HydrophobicContact CG1-CG2 3.61Å; V75-V98 WeakPolarHBondContact O-CG2 3.2Å; V75-V98 PolarHBondContact O-N 2.9Å; V75-N99 HydrophobicContact CB-CB 3.68Å; V75-N99 HydrophobicContact CG2-CB 3.99Å; V75-N99 PolarHBondContact N-O 2.87Å; V75-N99 PolarHBondContact O-N 3.07Å
76	V	94	Very high	86.7	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.5	179.7	-56.6	0	0	0	0	110	G34 I36 I48 D74 Y78 V95 R96 I97	G34-V76 PolarHBondContact N-O 3Å; G34-V76 PolarHBondContact O-N 2.73Å; I36-V76 HydrophobicContact CD1-CG1 4.14Å; I36-V76 HydrophobicContact CD1-CG2 4.1Å; I36-V76 HydrophobicContact CG1-CG1 3.72Å; I36-V76 HydrophobicContact CG1-CG2 4.11Å; I48-V76 HydrophobicContact CD1-CG2 3.7Å; I48-V76 HydrophobicContact CG1-CG2 3.91Å; I48-V76 HydrophobicContact CG2-CG2 3.99Å; D74-V76 HydrophobicContact CB-CG1 4.27Å; V76-Y78 HydrophobicContact CG2-CD1 4.24Å; V76-V95 HydrophobicContact CB-CG1 3.84Å; V76-V95 HydrophobicContact CG1-CG1 4.33Å; V76-V95 HydrophobicContact CG2-CG1 3.89Å; V76-R96 CarbonylContact C-O 3.52Å; V76-R96 VanDerWaalsContact CA-O 3.26Å; V76-R96 WeakPolarHBondContact CA-O 3.3Å; V76-I97 HydrophobicContact CG1-CB 4.29Å; V76-I97 HydrophobicContact CG1-CG1 3.85Å; V76-I97 HydrophobicContact CG1-CG2 4.41Å
77	E	94.8	Very high	86.4	Confident	39 Å²	39	51.8 Å²	51.8	18%	0.182	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	143.8	163.2	69.2	-178.3	123.5	0	0	108.8	Y31 V95 R96 V98	Y31-E77 HydrophobicContact CE2-CB 3.67Å; Y31-E77 HydrophobicContact CE2-CG 4.27Å; Y31-E77 WeakPolarHBondContact CE2-OE2 3.38Å; Y31-E77 VanDerWaalsContact OH-CB 3.31Å; Y31-E77 WeakPolarHBondContact OH-CB 3.41Å; E77-V95 CarbonylContact O-C 3.45Å; E77-V95 VanDerWaalsContact O-CA 3.29Å; E77-V95 WeakPolarHBondContact O-CA 3.38Å; E77-R96 HydrophobicContact CG-CB 3.72Å; E77-R96 HydrophobicContact CG-CG 4.36Å; E77-R96 WeakPolarHBondContact CG-O 3.45Å; E77-R96 PolarHBondContact N-O 2.73Å; E77-R96 PolarHBondContact O-N 2.9Å; E77-R96 WeakPolarHBondContact OE1-CD 3.32Å; E77-R96 IonicContact OE1-CZ 2.72Å; E77-R96 IonicContact OE1-NE 3.04Å; E77-R96 IonicContact OE1-NH1 3.58Å; E77-R96 PolarHBondContact OE1-NH1 2.91Å; E77-V98 HydrophobicContact CB-CG1 3.66Å; E77-V98 HydrophobicContact CG-CG1 3.55Å; E77-V98 VanDerWaalsContact OE1-CG1 3.25Å; E77-V98 WeakPolarHBondContact OE1-CG1 3.31Å
78	Y	93.4	Very high	86.1	Confident	4 Å²	4	52 Å²	52	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	170.2	176.2	58.4	-89	0	0	0	109.7	G32 I33 I48 P50 L57 V76 K80 A92	G32-Y78 PolarHBondContact N-O 3.22Å; G32-Y78 PolarHBondContact O-N 3.43Å; I33-Y78 PolarHBondContact O-OH 2.79Å; I48-Y78 HydrophobicContact CD1-CD1 4.2Å; I48-Y78 HydrophobicContact CG2-CD1 3.88Å; I48-Y78 HydrophobicContact CG2-CE1 3.49Å; I48-Y78 VanDerWaalsContact CG2-CE1 3.49Å; P50-Y78 WeakPolarHBondContact CA-OH 3.29Å; P50-Y78 WeakPolarHBondContact CB-OH 3.24Å; L57-Y78 HydrophobicContact CD1-CD2 3.87Å; L57-Y78 HydrophobicContact CD1-CE1 4.42Å; L57-Y78 HydrophobicContact CD1-CE2 3.07Å; L57-Y78 VanDerWaalsContact CD1-CZ 3.42Å; V76-Y78 HydrophobicContact CG2-CD1 4.24Å; Y78-K80 HydrophobicContact CD2-CG 4.08Å; Y78-K80 HydrophobicContact CE2-CD 4.23Å; Y78-K80 HydrophobicContact CE2-CG 3.58Å; Y78-A92 HydrophobicContact CD2-CB 3.82Å; Y78-A92 HydrophobicContact CG-CB 3.85Å
79	R	92.6	Very high	85.9	Confident	64 Å²	64	51.7 Å²	51.7	24%	0.242	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.3	166.6	-62.8	-172.6	-179	172.4	4.9	109.4	A26 F27 E30 A92 V93	A26-R79 WeakPolarHBondContact O-CB 3.38Å; A26-R79 WeakPolarHBondContact O-CD 3.14Å; F27-R79 PolarHBondContact O-NH1 3.29Å; E30-R79 CarbonylContact O-C 3.56Å; E30-R79 VanDerWaalsContact O-CA 3.31Å; E30-R79 WeakPolarHBondContact O-CA 3.31Å; R79-A92 WeakPolarHBondContact O-CA 3.48Å; R79-V93 HydrophobicContact CB-CG2 3.86Å; R79-V93 PolarHBondContact N-O 3.49Å; R79-V93 WeakPolarHBondContact O-CG2 3.44Å; R79-V93 PolarHBondContact O-N 2.9Å
80	K	88.4	Confident	85.9	Confident	26 Å²	26	56 Å²	56	11%	0.113	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128	174.2	-67.4	-173.6	-66.7	178.3	0	109.3	G29 E30 L57 Y78 Y90	G29-K80 VanDerWaalsContact CA-O 3.28Å; G29-K80 WeakPolarHBondContact CA-O 3.48Å; E30-K80 PolarHBondContact O-N 3.21Å; E30-K80 WeakPolarHBondContact OE1-CE 3.33Å; E30-K80 IonicContact OE1-NZ 2.63Å; E30-K80 PolarHBondContact OE1-NZ 2.7Å; L57-K80 HydrophobicContact CD1-CD 3.98Å; L57-K80 HydrophobicContact CD1-CG 3.85Å; L57-K80 HydrophobicContact CD2-CD 4.43Å; Y78-K80 HydrophobicContact CD2-CG 4.08Å; Y78-K80 HydrophobicContact CE2-CD 4.23Å; Y78-K80 HydrophobicContact CE2-CG 3.58Å; K80-Y90 HydrophobicContact CB-CD1 3.98Å
81	M	85.8	Confident	85.9	Confident	12 Å²	12	55.9 Å²	55.9	6%	0.059	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.3	170.4	159.2	171.9	-84.1	0	0	109.5	Q22 G25 A26 Y90 Q91 V93	Q22-M81 WeakPolarHBondContact O-CE 3.33Å; G25-M81 VanDerWaalsContact C-CE 3.44Å; A26-M81 HydrophobicContact CB-CE 3.52Å; A26-M81 HydrophobicContact CB-SD 4.03Å; M81-Y90 WeakPolarHBondContact O-CA 3.12Å; M81-Q91 HydrophobicContact CB-CG 4.27Å; M81-Q91 HydrophobicContact CG-CG 4.34Å; M81-Q91 PolarHBondContact N-O 3.06Å; M81-Q91 WeakPolarHBondContact O-CG 3.47Å; M81-Q91 PolarHBondContact O-N 2.81Å; M81-V93 HydrophobicContact CB-CG1 3.93Å; M81-V93 HydrophobicContact CB-CG2 4.13Å
82	L	84.6	Confident	86.1	Confident	62 Å²	62	54.4 Å²	54.4	33%	0.325	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132	166.7	-71.2	170.8	0	0	0	110	P84 N87 K89 Y90	L82-P84 WeakPolarHBondContact O-CD 3.48Å; L82-N87 HydrophobicContact CB-CB 3.88Å; L82-N87 HydrophobicContact CD1-CB 4.15Å; L82-N87 WeakPolarHBondContact CD2-O 3.45Å; L82-N87 HydrophobicContact CG-CB 4.45Å; L82-K89 WeakPolarHBondContact CA-O 3.5Å; L82-Y90 HydrophobicContact CD1-CE1 4.43Å; L82-Y90 HydrophobicContact CD2-CD1 3.67Å; L82-Y90 HydrophobicContact CD2-CD2 4.2Å; L82-Y90 HydrophobicContact CD2-CE1 3.34Å; L82-Y90 HydrophobicContact CD2-CE2 3.88Å; L82-Y90 HydrophobicContact CD2-CG 4.09Å; L82-Y90 VanDerWaalsContact CD2-CZ 3.44Å; L82-Y90 HydrophobicContact CG-CD1 4.02Å; L82-Y90 HydrophobicContact CG-CE1 3.57Å
83	I	80.8	Confident	86.1	Confident	15 Å²	15	47.9 Å²	47.9	8%	0.077	24%	0.241	C	C	.	.			trans	-74.4	106.6	-179.6	-57.6	173.3	0	0	0	109	P9 Y13 N87 K89 Q91	P9-I83 HydrophobicContact CB-CD1 3.7Å; P9-I83 HydrophobicContact CB-CG2 4.33Å; P9-I83 HydrophobicContact CG-CD1 3.83Å; Y13-I83 HydrophobicContact CD2-CG2 3.39Å; Y13-I83 HydrophobicContact CE2-CG2 4.06Å; Y13-I83 HydrophobicContact CG-CG2 4.1Å; I83-N87 WeakPolarHBondContact O-CA 3.47Å; I83-N87 PolarHBondContact O-N 3.49Å; I83-K89 HydrophobicContact CD1-CB 3.98Å; I83-K89 WeakPolarHBondContact CG1-O 3.33Å; I83-K89 PolarHBondContact N-O 3.31Å; I83-Q91 HydrophobicContact CD1-CB 3.99Å; I83-Q91 HydrophobicContact CD1-CG 4.44Å; I83-Q91 HydrophobicContact CG1-CB 3.77Å; I83-Q91 HydrophobicContact CG1-CG 3.67Å
84	P	74.6	Confident	86.1	Confident	21 Å²	21	48.6 Å²	48.6	14%	0.136	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	164.1	176.2	36.8	-43.7	0	0	0	110.6	Y13 Q22 L82 K86 N87	Y13-P84 HydrophobicContact CD1-CG 4.14Å; Y13-P84 WeakPolarHBondContact CD2-O 3.2Å; Y13-P84 HydrophobicContact CE1-CG 4.28Å; Y13-P84 WeakPolarHBondContact CE2-O 3.35Å; Y13-P84 HydrophobicContact CG-CG 4.5Å; Q22-P84 HydrophobicContact CG-CG 4.41Å; L82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-K86 VanDerWaalsContact C-N 3.28Å; P84-N87 WeakPolarHBondContact CA-OD1 3.33Å
85	P	73.3	Confident	86.2	Confident	100 Å²	100	48.6 Å²	48.6	65%	0.649	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	cis	-77.3	-13.9	-10	32.1	-36.7	0	0	0	112.8	Y13	Y13-P85 WeakPolarHBondContact OH-CD 3.01Å
86	K	76.7	Confident	86.1	Confident	160 Å²	160	53.9 Å²	53.9	70%	0.696	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-33.2	-171.9	-72.8	179.2	167.4	-161.6	0	113.1	P84 E88	P84-K86 VanDerWaalsContact C-N 3.28Å; K86-E88 HydrophobicContact CB-CG 4.17Å; K86-E88 WeakPolarHBondContact CB-OE2 3.46Å; K86-E88 WeakPolarHBondContact CD-OE2 3.36Å; K86-E88 PolarHBondContact O-N 3.41Å; K86-E88 VanDerWaalsContact O-N 3.15Å
87	N	78.8	Confident	86	Confident	82 Å²	82	55.1 Å²	55.1	44%	0.439	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	33.7	-178.1	-62.3	-28.2	0	0	0	113.4	L82 I83 P84	L82-N87 HydrophobicContact CB-CB 3.88Å; L82-N87 HydrophobicContact CD1-CB 4.15Å; L82-N87 WeakPolarHBondContact CD2-O 3.45Å; L82-N87 HydrophobicContact CG-CB 4.45Å; I83-N87 WeakPolarHBondContact O-CA 3.47Å; I83-N87 PolarHBondContact O-N 3.49Å; P84-N87 WeakPolarHBondContact CA-OD1 3.33Å
88	E	77.9	Confident	85.8	Confident	148 Å²	148	56.4 Å²	56.4	69%	0.692	27%	0.266	S	S	*	.			trans	-94.4	-25.1	-178.3	-71.9	176.9	90.2	0	0	113	K86	K86-E88 HydrophobicContact CB-CG 4.17Å; K86-E88 WeakPolarHBondContact CB-OE2 3.46Å; K86-E88 WeakPolarHBondContact CD-OE2 3.36Å; K86-E88 PolarHBondContact O-N 3.41Å; K86-E88 VanDerWaalsContact O-N 3.15Å
89	K	81.4	Confident	85.6	Confident	93 Å²	93	61.2 Å²	61.2	40%	0.404	29%	0.292	S	S	.	.	S	Bend	trans	-127	148.6	-176.8	-68.7	-168.1	174.8	-164.3	0	110.5	L82 I83	L82-K89 WeakPolarHBondContact CA-O 3.5Å; I83-K89 HydrophobicContact CD1-CB 3.98Å; I83-K89 WeakPolarHBondContact CG1-O 3.33Å; I83-K89 PolarHBondContact N-O 3.31Å
90	Y	86.8	Confident	85.2	Confident	103 Å²	103	62 Å²	62	40%	0.404	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.5	171.4	-68.1	-80.3	0	0	0	110.6	L57 K80 M81 L82	L57-Y90 HydrophobicContact CD2-CG 4.44Å; K80-Y90 HydrophobicContact CB-CD1 3.98Å; M81-Y90 WeakPolarHBondContact O-CA 3.12Å; L82-Y90 HydrophobicContact CD1-CE1 4.43Å; L82-Y90 HydrophobicContact CD2-CD1 3.67Å; L82-Y90 HydrophobicContact CD2-CD2 4.2Å; L82-Y90 HydrophobicContact CD2-CE1 3.34Å; L82-Y90 HydrophobicContact CD2-CE2 3.88Å; L82-Y90 HydrophobicContact CD2-CG 4.09Å; L82-Y90 VanDerWaalsContact CD2-CZ 3.44Å; L82-Y90 HydrophobicContact CG-CD1 4.02Å; L82-Y90 HydrophobicContact CG-CE1 3.57Å
91	Q	88.7	Confident	84.8	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.1	165	58.5	173.6	-62.1	0	0	109.2	Y13 F58 M81 I83 V93	Y13-Q91 PolarHBondContact O-OE1 3.27Å; F58-Q91 HydrophobicContact CD1-CB 4.48Å; F58-Q91 CarbonylContact O-C 3.58Å; F58-Q91 VanDerWaalsContact O-CA 3.3Å; F58-Q91 WeakPolarHBondContact O-CA 3.47Å; F58-Q91 WeakPolarHBondContact O-CB 3.37Å; M81-Q91 HydrophobicContact CB-CG 4.27Å; M81-Q91 HydrophobicContact CG-CG 4.34Å; M81-Q91 PolarHBondContact N-O 3.06Å; M81-Q91 WeakPolarHBondContact O-CG 3.47Å; M81-Q91 PolarHBondContact O-N 2.81Å; I83-Q91 HydrophobicContact CD1-CB 3.99Å; I83-Q91 HydrophobicContact CD1-CG 4.44Å; I83-Q91 HydrophobicContact CG1-CB 3.77Å; I83-Q91 HydrophobicContact CG1-CG 3.67Å; Q91-V93 HydrophobicContact CG-CG1 3.74Å
92	A	91.5	Very high	84.4	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.4	170.3	0	0	0	0	0	109.4	I48 L57 F58 V59 Y78 R79 V95	I48-A92 HydrophobicContact CD1-CB 3.59Å; L57-A92 HydrophobicContact CB-CB 4.13Å; F58-A92 PolarHBondContact O-N 2.72Å; V59-A92 HydrophobicContact CB-CB 4.24Å; Y78-A92 HydrophobicContact CD2-CB 3.82Å; Y78-A92 HydrophobicContact CG-CB 3.85Å; R79-A92 WeakPolarHBondContact O-CA 3.48Å; A92-V95 HydrophobicContact CB-CG2 3.79Å
93	V	90.3	Very high	84	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.2	-176.6	-49.4	0	0	0	0	109.5	R18 A26 R79 M81 Q91 V95	R18-V93 VanDerWaalsContact CZ-CG1 3.44Å; A26-V93 HydrophobicContact CB-CB 4.33Å; A26-V93 HydrophobicContact CB-CG2 3.59Å; R79-V93 HydrophobicContact CB-CG2 3.86Å; R79-V93 PolarHBondContact N-O 3.49Å; R79-V93 WeakPolarHBondContact O-CG2 3.44Å; R79-V93 PolarHBondContact O-N 2.9Å; M81-V93 HydrophobicContact CB-CG1 3.93Å; M81-V93 HydrophobicContact CB-CG2 4.13Å; Q91-V93 HydrophobicContact CG-CG1 3.74Å; V93-V95 PolarHBondContact O-N 2.95Å
94	H	90.2	Very high	83.7	Confident	53 Å²	53	80.6 Å²	80.6	25%	0.245	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.1	46.1	-173.8	-67.5	-79.2	0	0	0	111.7	D63 D65 R96	D63-H94 PolarHBondContact O-N 2.63Å; D65-H94 IonicContact OD2-ND1 2.95Å; H94-R96 PolarHBondContact O-N 3Å
95	V	92.5	Very high	83.9	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	122.2	-176.8	-176.6	0	0	0	0	108.4	I48 V59 D63 I64 D65 V76 E77 A92 V93	I48-V95 HydrophobicContact CD1-CG1 3.74Å; I48-V95 HydrophobicContact CD1-CG2 3.95Å; V59-V95 HydrophobicContact CB-CG2 4.42Å; V59-V95 HydrophobicContact CG2-CB 4.21Å; V59-V95 HydrophobicContact CG2-CG1 4.41Å; V59-V95 HydrophobicContact CG2-CG2 3.57Å; D63-V95 PolarHBondContact O-N 3.46Å; I64-V95 CarbonylContact C-O 3.49Å; I64-V95 WeakPolarHBondContact CA-O 3.34Å; I64-V95 HydrophobicContact CG1-CB 3.97Å; I64-V95 HydrophobicContact CG1-CG1 4.16Å; D65-V95 PolarHBondContact N-O 3.23Å; V76-V95 HydrophobicContact CB-CG1 3.84Å; V76-V95 HydrophobicContact CG1-CG1 4.33Å; V76-V95 HydrophobicContact CG2-CG1 3.89Å; E77-V95 CarbonylContact O-C 3.45Å; E77-V95 VanDerWaalsContact O-CA 3.29Å; E77-V95 WeakPolarHBondContact O-CA 3.38Å; A92-V95 HydrophobicContact CB-CG2 3.79Å; V93-V95 PolarHBondContact O-N 2.95Å
96	R	92.1	Very high	84.3	Confident	148 Å²	148	80.6 Å²	80.6	56%	0.558	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.3	177.4	174.9	177.7	169.2	-151.4	2.7	109.3	V76 E77 H94 V98	V76-R96 CarbonylContact C-O 3.52Å; V76-R96 VanDerWaalsContact CA-O 3.26Å; V76-R96 WeakPolarHBondContact CA-O 3.3Å; E77-R96 HydrophobicContact CG-CB 3.72Å; E77-R96 HydrophobicContact CG-CG 4.36Å; E77-R96 WeakPolarHBondContact CG-O 3.45Å; E77-R96 PolarHBondContact N-O 2.73Å; E77-R96 PolarHBondContact O-N 2.9Å; E77-R96 WeakPolarHBondContact OE1-CD 3.32Å; E77-R96 IonicContact OE1-CZ 2.72Å; E77-R96 IonicContact OE1-NE 3.04Å; E77-R96 IonicContact OE1-NH1 3.58Å; E77-R96 PolarHBondContact OE1-NH1 2.91Å; H94-R96 PolarHBondContact O-N 3Å; R96-V98 PolarHBondContact O-N 3.07Å
97	I	91.1	Very high	84.7	Confident	26 Å²	26	74.8 Å²	74.8	13%	0.133	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.4	178.2	-53.1	165.4	0	0	0	108	P70 D74 V76 L100	P70-I97 HydrophobicContact CB-CD1 4.19Å; D74-I97 HydrophobicContact CB-CG2 4.47Å; V76-I97 HydrophobicContact CG1-CB 4.29Å; V76-I97 HydrophobicContact CG1-CG1 3.85Å; V76-I97 HydrophobicContact CG1-CG2 4.41Å; I97-L100 HydrophobicContact CD1-CD2 4.37Å; I97-L100 HydrophobicContact CG2-CD2 3.82Å; I97-L100 HydrophobicContact CG2-CG 4.04Å
98	V	91.2	Very high	84.8	Confident	65 Å²	65	74.4 Å²	74.4	39%	0.394	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-33.2	177.4	-68.8	0	0	0	0	111.4	V75 E77 R96	V75-V98 HydrophobicContact CB-CG2 3.97Å; V75-V98 HydrophobicContact CG1-CG2 3.61Å; V75-V98 WeakPolarHBondContact O-CG2 3.2Å; V75-V98 PolarHBondContact O-N 2.9Å; E77-V98 HydrophobicContact CB-CG1 3.66Å; E77-V98 HydrophobicContact CG-CG1 3.55Å; E77-V98 VanDerWaalsContact OE1-CG1 3.25Å; E77-V98 WeakPolarHBondContact OE1-CG1 3.31Å; R96-V98 PolarHBondContact O-N 3.07Å
99	N	89.1	Confident	84.9	Confident	105 Å²	105	74.7 Å²	74.7	56%	0.561	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	103.9	-179.8	-132.4	93.1	0	0	0	108.9	V75	V75-N99 HydrophobicContact CB-CB 3.68Å; V75-N99 HydrophobicContact CG2-CB 3.99Å; V75-N99 PolarHBondContact N-O 2.87Å; V75-N99 PolarHBondContact O-N 3.07Å
100	L	83	Confident	84.7	Confident	80 Å²	80	74.4 Å²	74.4	42%	0.419	36%	0.364	S	S	.	.			trans	-65.3	130.1	170.7	-64.9	156.7	0	0	0	108.2	Y68 D74 I97 H105	Y68-L100 HydrophobicContact CD2-CD2 4.06Å; Y68-L100 HydrophobicContact CG-CD2 4.11Å; D74-L100 WeakPolarHBondContact OD1-CA 2.91Å; I97-L100 HydrophobicContact CD1-CD2 4.37Å; I97-L100 HydrophobicContact CG2-CD2 3.82Å; I97-L100 HydrophobicContact CG2-CG 4.04Å; L100-H105 WeakPolarHBondContact CB-NE2 3.41Å; L100-H105 WeakPolarHBondContact CD2-CE1 3.31Å; L100-H105 WeakPolarHBondContact CD2-NE2 3.28Å
101	N	81	Confident	83.9	Confident	58 Å²	58	75 Å²	75	31%	0.31	38%	0.38	S	S	.	.			trans	-64.7	161.8	171.4	-172.7	11.3	0	0	0	109.3	I71 E72 D74 E103 H105	I71-N101 HydrophobicContact CD1-CB 4Å; I71-N101 HydrophobicContact CG1-CB 4.38Å; E72-N101 PolarHBondContact O-ND2 3.35Å; D74-N101 WeakPolarHBondContact OD1-CB 2.98Å; D74-N101 PolarHBondContact OD1-N 2.9Å; N101-E103 PolarHBondContact O-N 2.85Å; N101-H105 PolarHBondContact N-NE2 2.93Å; N101-H105 PolarHBondContact O-NE2 3.12Å
102	S	76.1	Confident	82.6	Confident	129 Å²	129	79.9 Å²	79.9	90%	0.902	42%	0.421	S	S	*	.	S	Bend	trans	-69.7	-1.6	-179.5	-63	0	0	0	0	113.8
103	E	76.2	Confident	82.2	Confident	116 Å²	116	83.9 Å²	83.9	54%	0.542	44%	0.442	S	S	.	.	S	Bend	trans	-76	158.3	175.2	-102	177.8	86.6	0	0	111.9	I71 N101 H105	I71-E103 HydrophobicContact CD1-CB 3.24Å; I71-E103 HydrophobicContact CD1-CG 4.36Å; N101-E103 PolarHBondContact O-N 2.85Å; E103-H105 PolarHBondContact O-CD2 2.92Å; E103-H105 PolarHBondContact O-N 3.43Å; E103-H105 VanDerWaalsContact O-N 3.08Å
104	K	76.1	Confident	81.7	Confident	203 Å²	203	88.3 Å²	88.3	88%	0.883	47%	0.466	S	S	*	.			trans	-76	101.5	177.7	-72.2	-172.8	177.7	-179.3	0	109.7	K106	K104-K106 PolarHBondContact O-N 3.43Å
105	H	77.2	Confident	81.3	Confident	28 Å²	28	90.3 Å²	90.3	13%	0.13	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-66	127.3	171.5	-67.3	-109.5	0	0	0	110.8	Y68 V69 D74 L100 N101 E103	Y68-H105 HydrophobicContact CD1-CB 3.87Å; Y68-H105 HydrophobicContact CG-CB 4.33Å; V69-H105 PolarHBondContact O-ND1 3.32Å; D74-H105 IonicContact OD1-CE1 3.71Å; D74-H105 PolarHBondContact OD1-CE1 3.05Å; D74-H105 IonicContact OD1-NE2 3.37Å; D74-H105 PolarHBondContact OD1-NE2 3.27Å; D74-H105 IonicContact OD2-CE1 2.96Å; D74-H105 PolarHBondContact OD2-CE1 3.42Å; D74-H105 IonicContact OD2-ND1 3.75Å; L100-H105 WeakPolarHBondContact CB-NE2 3.41Å; L100-H105 WeakPolarHBondContact CD2-CE1 3.31Å; L100-H105 WeakPolarHBondContact CD2-NE2 3.28Å; N101-H105 PolarHBondContact N-NE2 2.93Å; N101-H105 PolarHBondContact O-NE2 3.12Å; E103-H105 PolarHBondContact O-CD2 2.92Å; E103-H105 PolarHBondContact O-N 3.43Å; E103-H105 VanDerWaalsContact O-N 3.08Å
106	K	82.3	Confident	80.6	Confident	94 Å²	94	95.6 Å²	95.6	41%	0.409	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-75.4	146.6	165.7	-64.4	-173.2	177.5	-167.8	0	109.1	V69 K104 A112	V69-K106 WeakPolarHBondContact CB-O 3.5Å; V69-K106 HydrophobicContact CG2-CB 4.4Å; V69-K106 WeakPolarHBondContact CG2-O 3.37Å; V69-K106 PolarHBondContact N-O 3.3Å; K104-K106 PolarHBondContact O-N 3.43Å; K106-A112 PolarHBondContact NZ-OXT 3.38Å
107	T	84.9	Confident	79.9	Confident	38 Å²	38	92.3 Å²	92.3	23%	0.233	50%	0.503	C	S	.	.	B	Isolated β-bridge	trans	-86	163.1	167.3	58.5	0	0	0	0	110.9	E67 Y68 D109 E110	E67-T107 CarbonylContact O-C 3.52Å; E67-T107 VanDerWaalsContact O-CA 3.24Å; E67-T107 WeakPolarHBondContact O-CA 3.28Å; Y68-T107 HydrophobicContact CD1-CG2 4Å; Y68-T107 HydrophobicContact CE1-CG2 4.01Å; T107-D109 PolarHBondContact O-N 3.41Å; T107-E110 PolarHBondContact N-OE2 3.15Å; T107-E110 PolarHBondContact O-N 3.42Å; T107-E110 PolarHBondContact OG1-OE2 2.78Å
108	W	81	Confident	79.2	Confident	73 Å²	73	96.7 Å²	96.7	28%	0.277	53%	0.527	S	S	.	.	S	Bend	trans	-63.5	-23.9	176.3	-61.3	110.8	0	0	0	113.7	F39 R41 V61 I64 G66 E67 V69	F39-W108 AromaticContact CE1-CH2 3.67Å; F39-W108 HydrophobicContact CE1-CH2 3.67Å; F39-W108 HydrophobicContact CE1-CZ3 4.16Å; F39-W108 AromaticContact CZ-CH2 3.66Å; F39-W108 HydrophobicContact CZ-CH2 3.66Å; F39-W108 HydrophobicContact CZ-CZ3 4.33Å; R41-W108 HydrophobicContact CG-CZ3 4.19Å; R41-W108 PolarHBondContact NH2-O 3.03Å; V61-W108 HydrophobicContact CB-CH2 4.37Å; V61-W108 HydrophobicContact CG2-CE3 4.04Å; V61-W108 HydrophobicContact CG2-CH2 3.38Å; V61-W108 HydrophobicContact CG2-CZ2 3.93Å; V61-W108 HydrophobicContact CG2-CZ3 3.42Å; V61-W108 VanDerWaalsContact CG2-CZ3 3.42Å; I64-W108 HydrophobicContact CG2-CZ2 4.3Å; G66-W108 PolarHBondContact O-NE1 3.3Å; E67-W108 VanDerWaalsContact C-CD1 3.46Å; E67-W108 PolarHBondContact O-N 3.3Å; V69-W108 HydrophobicContact CB-CH2 4.33Å; V69-W108 HydrophobicContact CB-CZ3 4.46Å; V69-W108 HydrophobicContact CG1-CH2 4.14Å; V69-W108 HydrophobicContact CG1-CZ3 4.27Å; V69-W108 HydrophobicContact CG2-CD2 3.94Å; V69-W108 HydrophobicContact CG2-CE3 3.71Å; V69-W108 HydrophobicContact CG2-CH2 4.08Å; V69-W108 HydrophobicContact CG2-CZ2 4.34Å; V69-W108 HydrophobicContact CG2-CZ3 3.79Å
109	D	80.7	Confident	78.3	Confident	155 Å²	155	99 Å²	99	83%	0.829	54%	0.537	S	S	*	.	S	Bend	trans	-80.5	-30.1	-178.9	-163.8	-107.3	0	0	0	112.7	T107	T107-D109 PolarHBondContact O-N 3.41Å
110	E	76.7	Confident	77.5	Confident	87 Å²	87	98.5 Å²	98.5	41%	0.407	54%	0.535	S	S	.	.	S	Bend	trans	-63.8	141.7	177.4	-82	171.2	94.8	0	0	111.4	R41 T107 A112	R41-E110 PolarHBondContact NH1-O 3.18Å; R41-E110 PolarHBondContact NH2-O 3.42Å; T107-E110 PolarHBondContact N-OE2 3.15Å; T107-E110 PolarHBondContact O-N 3.42Å; T107-E110 PolarHBondContact OG1-OE2 2.78Å; E110-A112 PolarHBondContact O-N 3.48Å
111	P	71	Confident	77	Confident	114 Å²	114	100.1 Å²	100.1	74%	0.74	55%	0.545	S	S	*	.			trans	-58.1	140.7	173.9	23.6	-31.8	0	0	0	110.9
112	A	60.9	Low	76.6	Confident	106 Å²	106	103.9 Å²	103.9	88%	0.876	57%	0.566	S	S	*	*			trans	-59.7	0	179.4	0	0	0	0	0	111.5	R41 K106 E110	R41-A112 VanDerWaalsContact NH1-CA 3.33Å; K106-A112 PolarHBondContact NZ-OXT 3.38Å; E110-A112 PolarHBondContact O-N 3.48Å

Retrieved 112 of 112 residues in 79.3 ms (Link to these results)

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