A0A5K4F6J9_SCHMA Loading...

Apple domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6J9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 125 aa.

						>A0A5K4F6J9_SCHMA|A0A5K4F6J9
MYKLYIIVIIISFVYKTTAKNLEQCVEKATLLNNTLTTYSVFQLKPLELQDCLMLCCSQEKCLAINFYFKTTTKSNCSLVYYRNTICLEKKSGWNHYLIRKSDRPIEFIVSSPKTAHLCSGRLLQ
					

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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	61.9	Low	64.9	Low	210 Å²	210	133.1 Å²	133.1	100%	1.034	63%	0.633	S	S	*	*				0	-18.3	0	-71.1	-170.9	-122.3	0	0	114.8	K3	M1-K3 PolarHBondContact O-N 3.35Å
2	Y	62.4	Low	64.9	Low	199 Å²	199	127.6 Å²	127.6	78%	0.78	62%	0.62	S	S	*	*	H	α-helix	trans	-69.4	-28.4	-177.7	-64.6	-82.3	0	0	0	116.8	L4 Y5 I6	Y2-L4 VanDerWaalsContact C-N 3.33Å; Y2-L4 PolarHBondContact O-N 3.44Å; Y2-Y5 PolarHBondContact O-N 3.34Å; Y2-I6 WeakPolarHBondContact O-CG1 3.39Å; Y2-I6 PolarHBondContact O-N 3.47Å
3	K	62.2	Low	64.7	Low	182 Å²	182	128.4 Å²	128.4	79%	0.791	62%	0.619	S	S	*	*	H	α-helix	trans	-62.9	-35.3	-176.3	-72.1	-173.7	176.7	-177.9	0	113.6	M1 I7	M1-K3 PolarHBondContact O-N 3.35Å; K3-I7 WeakPolarHBondContact O-CG1 3.47Å; K3-I7 PolarHBondContact O-N 3.36Å
4	L	62.4	Low	64.9	Low	132 Å²	132	124.4 Å²	124.4	69%	0.691	61%	0.606	S	S	*	*	H	α-helix	trans	-70	-42.5	-177.7	-152.1	81.2	0	0	0	111.6	Y2 I6 I7 V8	Y2-L4 VanDerWaalsContact C-N 3.33Å; Y2-L4 PolarHBondContact O-N 3.44Å; L4-I6 PolarHBondContact O-N 3.32Å; L4-I7 PolarHBondContact O-N 3.37Å; L4-V8 WeakPolarHBondContact O-CG2 3.29Å; L4-V8 PolarHBondContact O-N 3.06Å; L4-V8 VanDerWaalsContact O-N 3.15Å
5	Y	62.2	Low	64.7	Low	171 Å²	171	127.5 Å²	127.5	67%	0.671	61%	0.61	S	S	*	*	H	α-helix	trans	-62.1	-40.9	177.9	-78.3	-83.2	0	0	0	112.5	Y2 I7 V8 I9	Y2-Y5 PolarHBondContact O-N 3.34Å; Y5-I7 PolarHBondContact O-N 3.15Å; Y5-V8 PolarHBondContact O-N 2.98Å; Y5-I9 VanDerWaalsContact O-CG1 3.29Å; Y5-I9 WeakPolarHBondContact O-CG1 3.41Å; Y5-I9 PolarHBondContact O-N 3.47Å
6	I	66.1	Low	64.6	Low	98 Å²	98	129.7 Å²	129.7	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-62.6	-43.5	178.7	-65	169.8	0	0	0	110.8	Y2 L4 V8 I9 I10	Y2-I6 WeakPolarHBondContact O-CG1 3.39Å; Y2-I6 PolarHBondContact O-N 3.47Å; L4-I6 PolarHBondContact O-N 3.32Å; I6-V8 PolarHBondContact O-N 3.3Å; I6-I9 PolarHBondContact O-N 2.77Å; I6-I10 HydrophobicContact CG2-CD1 3.75Å; I6-I10 HydrophobicContact CG2-CG1 4.44Å; I6-I10 VanDerWaalsContact O-CG1 3.29Å; I6-I10 WeakPolarHBondContact O-CG1 3.37Å; I6-I10 PolarHBondContact O-N 3.36Å
7	I	67.1	Low	64.6	Low	94 Å²	94	124.9 Å²	124.9	48%	0.482	60%	0.597	S	S	.	*	H	α-helix	trans	-62.4	-45.5	178.8	-66.6	167.2	0	0	0	110.9	K3 L4 Y5 I9 I10 I11	K3-I7 WeakPolarHBondContact O-CG1 3.47Å; K3-I7 PolarHBondContact O-N 3.36Å; L4-I7 PolarHBondContact O-N 3.37Å; Y5-I7 PolarHBondContact O-N 3.15Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 3.5Å; I7-I10 PolarHBondContact O-N 3.44Å; I7-I11 HydrophobicContact CG2-CD1 3.64Å; I7-I11 HydrophobicContact CG2-CG1 4.34Å; I7-I11 VanDerWaalsContact O-CG1 3.29Å; I7-I11 WeakPolarHBondContact O-CG1 3.38Å; I7-I11 PolarHBondContact O-N 2.97Å
8	V	67.4	Low	65	Low	83 Å²	83	121.9 Å²	121.9	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-61.9	-41.1	179.4	174.4	0	0	0	0	111.8	L4 Y5 I6 S12	L4-V8 WeakPolarHBondContact O-CG2 3.29Å; L4-V8 PolarHBondContact O-N 3.06Å; L4-V8 VanDerWaalsContact O-N 3.15Å; Y5-V8 PolarHBondContact O-N 2.98Å; I6-V8 PolarHBondContact O-N 3.3Å; V8-S12 WeakPolarHBondContact O-CB 3.29Å; V8-S12 PolarHBondContact O-N 3.42Å; V8-S12 PolarHBondContact O-OG 2.92Å
9	I	69.5	Low	65.2	Low	115 Å²	115	117.8 Å²	117.8	59%	0.59	58%	0.577	S	S	*	*	H	α-helix	trans	-65.2	-45.1	177.6	-67.2	166.6	0	0	0	110.7	Y5 I6 I7 S12 F13	Y5-I9 VanDerWaalsContact O-CG1 3.29Å; Y5-I9 WeakPolarHBondContact O-CG1 3.41Å; Y5-I9 PolarHBondContact O-N 3.47Å; I6-I9 PolarHBondContact O-N 2.77Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 3.5Å; I9-S12 PolarHBondContact O-N 3.03Å; I9-F13 WeakPolarHBondContact O-CB 3.29Å; I9-F13 PolarHBondContact O-N 2.89Å
10	I	66.7	Low	65.7	Low	97 Å²	97	118.3 Å²	118.3	50%	0.497	58%	0.575	S	S	.	*	H	α-helix	trans	-61.9	-48.3	179.6	-68.1	167.9	0	0	0	110.5	I6 I7 S12 F13 V14	I6-I10 HydrophobicContact CG2-CD1 3.75Å; I6-I10 HydrophobicContact CG2-CG1 4.44Å; I6-I10 VanDerWaalsContact O-CG1 3.29Å; I6-I10 WeakPolarHBondContact O-CG1 3.37Å; I6-I10 PolarHBondContact O-N 3.36Å; I7-I10 PolarHBondContact O-N 3.44Å; I10-S12 VanDerWaalsContact C-N 3.34Å; I10-S12 PolarHBondContact O-N 3.37Å; I10-F13 PolarHBondContact O-N 3.02Å; I10-V14 HydrophobicContact CG2-CG2 4.35Å; I10-V14 VanDerWaalsContact O-CG2 3.29Å; I10-V14 WeakPolarHBondContact O-CG2 3.47Å; I10-V14 PolarHBondContact O-N 3.27Å
11	I	66.5	Low	66.4	Low	83 Å²	83	117.3 Å²	117.3	43%	0.426	57%	0.573	S	S	.	*	H	α-helix	trans	-58	-48.5	178.4	-68.8	170.9	0	0	0	110.3	I7 F13 V14 Y15	I7-I11 HydrophobicContact CG2-CD1 3.64Å; I7-I11 HydrophobicContact CG2-CG1 4.34Å; I7-I11 VanDerWaalsContact O-CG1 3.29Å; I7-I11 WeakPolarHBondContact O-CG1 3.38Å; I7-I11 PolarHBondContact O-N 2.97Å; I11-F13 VanDerWaalsContact C-N 3.34Å; I11-F13 PolarHBondContact O-N 3.47Å; I11-V14 PolarHBondContact O-N 3.41Å; I11-Y15 HydrophobicContact CG2-CD2 3.57Å; I11-Y15 HydrophobicContact CG2-CE2 3.43Å; I11-Y15 VanDerWaalsContact CG2-CE2 3.43Å; I11-Y15 WeakPolarHBondContact O-CD2 3.42Å; I11-Y15 PolarHBondContact O-N 2.93Å
12	S	64.6	Low	67.5	Low	67 Å²	67	109.4 Å²	109.4	47%	0.469	54%	0.535	S	S	.	.	H	α-helix	trans	-62.4	-40.5	-180	-56.1	0	0	0	0	112.5	V8 I9 I10 K16	V8-S12 WeakPolarHBondContact O-CB 3.29Å; V8-S12 PolarHBondContact O-N 3.42Å; V8-S12 PolarHBondContact O-OG 2.92Å; I9-S12 PolarHBondContact O-N 3.03Å; I10-S12 VanDerWaalsContact C-N 3.34Å; I10-S12 PolarHBondContact O-N 3.37Å; S12-K16 WeakPolarHBondContact O-CB 3.17Å; S12-K16 PolarHBondContact O-N 3.3Å
13	F	62.6	Low	68.5	Low	138 Å²	138	105.5 Å²	105.5	61%	0.605	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-46.7	176.8	-175.8	-97.6	0	0	0	111.2	I9 I10 I11 Y15 K16 T17	I9-F13 WeakPolarHBondContact O-CB 3.29Å; I9-F13 PolarHBondContact O-N 2.89Å; I10-F13 PolarHBondContact O-N 3.02Å; I11-F13 VanDerWaalsContact C-N 3.34Å; I11-F13 PolarHBondContact O-N 3.47Å; F13-Y15 PolarHBondContact O-N 3.47Å; F13-K16 PolarHBondContact O-N 2.75Å; F13-T17 HydrophobicContact CD1-CG2 4.04Å; F13-T17 HydrophobicContact CE1-CG2 3.66Å; F13-T17 HydrophobicContact CE2-CG2 4.26Å; F13-T17 HydrophobicContact CG-CG2 4.5Å; F13-T17 HydrophobicContact CZ-CG2 3.78Å; F13-T17 WeakPolarHBondContact O-CG2 3.41Å; F13-T17 PolarHBondContact O-N 3.18Å; F13-T17 PolarHBondContact O-OG1 3.24Å
14	V	67.1	Low	69.7	Low	73 Å²	73	100.6 Å²	100.6	44%	0.442	50%	0.504	S	S	.	.	H	α-helix	trans	-56.9	-51.7	176.4	172.2	0	0	0	0	110.1	I10 I11 K16 T17 T18	I10-V14 HydrophobicContact CG2-CG2 4.35Å; I10-V14 VanDerWaalsContact O-CG2 3.29Å; I10-V14 WeakPolarHBondContact O-CG2 3.47Å; I10-V14 PolarHBondContact O-N 3.27Å; I11-V14 PolarHBondContact O-N 3.41Å; V14-K16 VanDerWaalsContact C-N 3.34Å; V14-K16 PolarHBondContact O-N 3.42Å; V14-T17 WeakPolarHBondContact CA-OG1 3.29Å; V14-T17 PolarHBondContact O-N 3Å; V14-T17 PolarHBondContact O-OG1 2.9Å; V14-T18 PolarHBondContact O-N 3.06Å; V14-T18 PolarHBondContact O-OG1 3.13Å; V14-T18 VanDerWaalsContact O-OG1 3.05Å
15	Y	61.6	Low	70.9	Confident	170 Å²	170	95.3 Å²	95.3	67%	0.667	48%	0.478	S	S	*	.	H	α-helix	trans	-56.4	-45.5	177.2	-83.8	-67.7	0	0	0	113	I11 F13 T17 T18 A19	I11-Y15 HydrophobicContact CG2-CD2 3.57Å; I11-Y15 HydrophobicContact CG2-CE2 3.43Å; I11-Y15 VanDerWaalsContact CG2-CE2 3.43Å; I11-Y15 WeakPolarHBondContact O-CD2 3.42Å; I11-Y15 PolarHBondContact O-N 2.93Å; F13-Y15 PolarHBondContact O-N 3.47Å; Y15-T17 PolarHBondContact O-N 3.35Å; Y15-T18 PolarHBondContact O-N 3.05Å; Y15-A19 WeakPolarHBondContact O-CB 3.4Å; Y15-A19 PolarHBondContact O-N 2.91Å
16	K	63.9	Low	72.2	Confident	163 Å²	163	87.9 Å²	87.9	71%	0.709	45%	0.45	S	S	*	.	H	α-helix	trans	-64.5	-39.7	179.5	-170.2	173.2	-178	176.3	0	112	S12 F13 V14 K20	S12-K16 WeakPolarHBondContact O-CB 3.17Å; S12-K16 PolarHBondContact O-N 3.3Å; F13-K16 PolarHBondContact O-N 2.75Å; V14-K16 VanDerWaalsContact C-N 3.34Å; V14-K16 PolarHBondContact O-N 3.42Å; K16-K20 WeakPolarHBondContact O-CB 3.36Å; K16-K20 PolarHBondContact O-N 3.21Å
17	T	64.8	Low	73.2	Confident	48 Å²	48	91 Å²	91	29%	0.294	46%	0.462	S	S	.	.	H	α-helix	trans	-67.3	-41.8	176.1	57.4	0	0	0	0	112.1	F13 V14 Y15 K20 N21	F13-T17 HydrophobicContact CD1-CG2 4.04Å; F13-T17 HydrophobicContact CE1-CG2 3.66Å; F13-T17 HydrophobicContact CE2-CG2 4.26Å; F13-T17 HydrophobicContact CG-CG2 4.5Å; F13-T17 HydrophobicContact CZ-CG2 3.78Å; F13-T17 WeakPolarHBondContact O-CG2 3.41Å; F13-T17 PolarHBondContact O-N 3.18Å; F13-T17 PolarHBondContact O-OG1 3.24Å; V14-T17 WeakPolarHBondContact CA-OG1 3.29Å; V14-T17 PolarHBondContact O-N 3Å; V14-T17 PolarHBondContact O-OG1 2.9Å; Y15-T17 PolarHBondContact O-N 3.35Å; T17-K20 PolarHBondContact O-N 3.33Å; T17-N21 WeakPolarHBondContact O-CB 3.48Å; T17-N21 PolarHBondContact O-N 3.46Å; T17-N21 PolarHBondContact O-ND2 3.38Å; T17-N21 PolarHBondContact O-OD1 2.99Å
18	T	71.2	Confident	74.2	Confident	71 Å²	71	93.5 Å²	93.5	44%	0.436	47%	0.47	S	S	.	.	H	α-helix	trans	-63.1	-45.6	176.4	-54.8	0	0	0	0	111.3	V14 Y15 N21 L22	V14-T18 PolarHBondContact O-N 3.06Å; V14-T18 PolarHBondContact O-OG1 3.13Å; V14-T18 VanDerWaalsContact O-OG1 3.05Å; Y15-T18 PolarHBondContact O-N 3.05Å; T18-N21 PolarHBondContact O-N 2.69Å; T18-L22 HydrophobicContact CG2-CD1 4.27Å; T18-L22 WeakPolarHBondContact O-CG 3.43Å; T18-L22 PolarHBondContact O-N 2.94Å
19	A	69.1	Low	75.3	Confident	45 Å²	45	90.6 Å²	90.6	37%	0.372	46%	0.455	S	S	.	.	H	α-helix	trans	-59.8	-48.3	177.4	0	0	0	0	0	111.8	Y15 N21 L22 E23	Y15-A19 WeakPolarHBondContact O-CB 3.4Å; Y15-A19 PolarHBondContact O-N 2.91Å; A19-N21 VanDerWaalsContact C-N 3.32Å; A19-N21 PolarHBondContact O-N 3.35Å; A19-L22 PolarHBondContact O-N 3.01Å; A19-L22 VanDerWaalsContact O-N 3.13Å; A19-E23 WeakPolarHBondContact O-CG 3.34Å; A19-E23 PolarHBondContact O-N 3.3Å
20	K	75.3	Confident	76.3	Confident	126 Å²	126	89 Å²	89	55%	0.548	45%	0.45	S	S	.	.	H	α-helix	trans	-60.3	-40.1	177.6	-173.2	176.9	180	-178.6	0	112.5	K16 T17 L22 E23 Q24	K16-K20 WeakPolarHBondContact O-CB 3.36Å; K16-K20 PolarHBondContact O-N 3.21Å; T17-K20 PolarHBondContact O-N 3.33Å; K20-L22 VanDerWaalsContact C-N 3.33Å; K20-E23 PolarHBondContact O-N 2.62Å; K20-Q24 WeakPolarHBondContact O-CB 3.49Å; K20-Q24 VanDerWaalsContact O-CG 3.27Å; K20-Q24 WeakPolarHBondContact O-CG 3.46Å; K20-Q24 PolarHBondContact O-N 2.93Å
21	N	80.7	Confident	77.5	Confident	99 Å²	99	87.9 Å²	87.9	53%	0.529	45%	0.445	S	S	.	.	H	α-helix	trans	-66.8	-36	177.7	-70.4	-12.7	0	0	0	112	T17 T18 A19 C25	T17-N21 WeakPolarHBondContact O-CB 3.48Å; T17-N21 PolarHBondContact O-N 3.46Å; T17-N21 PolarHBondContact O-ND2 3.38Å; T17-N21 PolarHBondContact O-OD1 2.99Å; T18-N21 PolarHBondContact O-N 2.69Å; A19-N21 VanDerWaalsContact C-N 3.32Å; A19-N21 PolarHBondContact O-N 3.35Å; N21-C25 VanDerWaalsContact O-CB 3.29Å; N21-C25 WeakPolarHBondContact O-CB 3.3Å; N21-C25 PolarHBondContact O-N 3.26Å
22	L	84.1	Confident	78.7	Confident	44 Å²	44	86.7 Å²	86.7	23%	0.23	44%	0.439	C	S	.	.	H	α-helix	trans	-68.6	-46.5	175.6	-70.1	172.7	0	0	0	111.2	T18 A19 K20 Q24 C25 V26 C57	T18-L22 HydrophobicContact CG2-CD1 4.27Å; T18-L22 WeakPolarHBondContact O-CG 3.43Å; T18-L22 PolarHBondContact O-N 2.94Å; A19-L22 PolarHBondContact O-N 3.01Å; A19-L22 VanDerWaalsContact O-N 3.13Å; K20-L22 VanDerWaalsContact C-N 3.33Å; L22-Q24 PolarHBondContact O-N 2.94Å; L22-C25 WeakPolarHBondContact O-CB 3.42Å; L22-C25 PolarHBondContact O-N 3.22Å; L22-C25 VanDerWaalsContact O-N 3.09Å; L22-V26 WeakPolarHBondContact O-CG2 3.33Å; L22-V26 PolarHBondContact O-N 3.45Å; L22-C57 VanDerWaalsContact CD2-C 3.45Å; L22-C57 HydrophobicContact CD2-CB 3.66Å
23	E	83.7	Confident	79.9	Confident	117 Å²	117	87.9 Å²	87.9	55%	0.547	44%	0.44	S	S	.	.	H	α-helix	trans	-57.7	-48.3	176.4	-72.2	172.3	177.8	0	0	111.5	A19 K20 C25 V26 E27	A19-E23 WeakPolarHBondContact O-CG 3.34Å; A19-E23 PolarHBondContact O-N 3.3Å; K20-E23 PolarHBondContact O-N 2.62Å; E23-C25 PolarHBondContact O-N 3.45Å; E23-V26 WeakPolarHBondContact O-CB 3.46Å; E23-V26 PolarHBondContact O-N 3.04Å; E23-V26 VanDerWaalsContact O-N 3.07Å; E23-E27 WeakPolarHBondContact O-CG 3.41Å; E23-E27 PolarHBondContact O-N 3.11Å
24	Q	86.9	Confident	81.3	Confident	78 Å²	78	84.9 Å²	84.9	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-60.9	-33.7	175.7	-73.8	-178.5	-11.2	0	0	113.1	K20 L22 K28	K20-Q24 WeakPolarHBondContact O-CB 3.49Å; K20-Q24 VanDerWaalsContact O-CG 3.27Å; K20-Q24 WeakPolarHBondContact O-CG 3.46Å; K20-Q24 PolarHBondContact O-N 2.93Å; L22-Q24 PolarHBondContact O-N 2.94Å; Q24-K28 WeakPolarHBondContact O-CB 2.99Å; Q24-K28 VanDerWaalsContact O-CG 3.25Å; Q24-K28 WeakPolarHBondContact O-CG 2.97Å; Q24-K28 PolarHBondContact O-N 2.68Å
25	C	88.7	Confident	82.3	Confident	22 Å²	22	81.8 Å²	81.8	15%	0.149	41%	0.412	C	S	.	.	H	α-helix	trans	-68	-39.5	175.5	170.9	0	0	0	0	111.5	N21 L22 E23 C57 I99	N21-C25 VanDerWaalsContact O-CB 3.29Å; N21-C25 WeakPolarHBondContact O-CB 3.3Å; N21-C25 PolarHBondContact O-N 3.26Å; L22-C25 WeakPolarHBondContact O-CB 3.42Å; L22-C25 PolarHBondContact O-N 3.22Å; L22-C25 VanDerWaalsContact O-N 3.09Å; E23-C25 PolarHBondContact O-N 3.45Å; C25-C57 HydrophobicContact CB-CB 3.72Å; C25-C57 WeakPolarHBondContact CB-SG 3.45Å; C25-C57 WeakPolarHBondContact SG-CA 3.05Å; C25-C57 WeakPolarHBondContact SG-CB 3.21Å; C25-C57 CovalentContact SG-SG 2.04Å; C25-C57 PolarHBondContact SG-SG 3.36Å; C25-I99 WeakPolarHBondContact SG-CG2 3.47Å
26	V	89.2	Confident	83.6	Confident	15 Å²	15	74.4 Å²	74.4	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-67.2	-44.4	176	176.1	0	0	0	0	111.2	L22 E23 K28 A29 L53 M54	L22-V26 WeakPolarHBondContact O-CG2 3.33Å; L22-V26 PolarHBondContact O-N 3.45Å; E23-V26 WeakPolarHBondContact O-CB 3.46Å; E23-V26 PolarHBondContact O-N 3.04Å; E23-V26 VanDerWaalsContact O-N 3.07Å; V26-K28 PolarHBondContact O-N 2.69Å; V26-A29 WeakPolarHBondContact O-CB 3.41Å; V26-A29 PolarHBondContact O-N 3.26Å; V26-L53 HydrophobicContact CB-CB 4.45Å; V26-L53 HydrophobicContact CG1-CB 3.94Å; V26-L53 HydrophobicContact CG1-CD1 3.78Å; V26-L53 HydrophobicContact CG1-CG 4.45Å; V26-L53 HydrophobicContact CG2-CB 3.86Å; V26-M54 HydrophobicContact CG2-CG 4.08Å
27	E	87.1	Confident	84.7	Confident	162 Å²	162	66.8 Å²	66.8	76%	0.757	35%	0.351	S	S	*	.	H	α-helix	trans	-62.2	-30.6	179	-72.9	179	165.4	0	0	113.2	E23 A29	E23-E27 WeakPolarHBondContact O-CG 3.41Å; E23-E27 PolarHBondContact O-N 3.11Å; E27-A29 PolarHBondContact O-N 2.74Å
28	K	87.9	Confident	85.1	Confident	148 Å²	148	66.8 Å²	66.8	64%	0.643	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	0.2	176.8	-71.9	176.2	-177.8	-178.4	0	113.5	Q24 V26 T30	Q24-K28 WeakPolarHBondContact O-CB 2.99Å; Q24-K28 VanDerWaalsContact O-CG 3.25Å; Q24-K28 WeakPolarHBondContact O-CG 2.97Å; Q24-K28 PolarHBondContact O-N 2.68Å; V26-K28 PolarHBondContact O-N 2.69Å; K28-T30 PolarHBondContact O-N 3.02Å
29	A	90.5	Very high	84.9	Confident	22 Å²	22	66.7 Å²	66.7	18%	0.182	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-69.2	123	-178.9	0	0	0	0	0	111.1	V26 E27 L53 L98 I99	V26-A29 WeakPolarHBondContact O-CB 3.41Å; V26-A29 PolarHBondContact O-N 3.26Å; E27-A29 PolarHBondContact O-N 2.74Å; A29-L53 HydrophobicContact CB-CD2 4.09Å; A29-L98 CarbonylContact C-O 3.59Å; A29-L98 VanDerWaalsContact CA-O 3.26Å; A29-L98 WeakPolarHBondContact CA-O 3.18Å; A29-I99 HydrophobicContact CB-CG1 3.98Å
30	T	90.7	Very high	84.6	Confident	82 Å²	82	66.4 Å²	66.4	50%	0.503	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123	178	-55.6	0	0	0	0	110.4	K28 Y97 L98	K28-T30 PolarHBondContact O-N 3.02Å; T30-Y97 CarbonylContact O-C 3.53Å; T30-Y97 WeakPolarHBondContact O-CA 2.96Å; T30-L98 PolarHBondContact N-O 2.97Å; T30-L98 PolarHBondContact O-N 2.78Å
31	L	92.3	Very high	84	Confident	72 Å²	72	65.3 Å²	65.3	38%	0.377	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.3	-179.8	172.3	57.8	0	0	0	112.5	N33 N95 Y97	L31-N33 WeakPolarHBondContact CD1-OD1 3.28Å; L31-N33 VanDerWaalsContact CD2-OD1 3.31Å; L31-N33 WeakPolarHBondContact CD2-OD1 3.39Å; L31-N33 WeakPolarHBondContact CG-OD1 3.46Å; L31-N95 HydrophobicContact CD1-CB 3.75Å; L31-Y97 HydrophobicContact CB-CD1 4.31Å; L31-Y97 HydrophobicContact CB-CE1 4.26Å; L31-Y97 HydrophobicContact CD1-CD1 4.12Å; L31-Y97 HydrophobicContact CD1-CD2 4.32Å; L31-Y97 HydrophobicContact CD1-CE1 3.72Å; L31-Y97 HydrophobicContact CD1-CE2 3.91Å; L31-Y97 HydrophobicContact CD1-CG 4.4Å; L31-Y97 HydrophobicContact CD2-CE1 4.37Å; L31-Y97 HydrophobicContact CG-CE1 4.34Å
32	L	90.8	Very high	83.2	Confident	58 Å²	58	66.3 Å²	66.3	30%	0.304	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	104.1	166.2	-57	179.1	0	0	0	109.6	T35 L88 H96	L32-T35 HydrophobicContact CB-CG2 4.5Å; L32-L88 HydrophobicContact CD1-CD1 3.69Å; L32-L88 HydrophobicContact CD1-CD2 4.36Å; L32-H96 HydrophobicContact CB-CB 4.24Å; L32-H96 PolarHBondContact N-O 3.47Å; L32-H96 PolarHBondContact O-N 3.18Å
33	N	90.5	Very high	82.2	Confident	93 Å²	93	71 Å²	71	50%	0.497	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	147.3	-178.1	-72.1	-37.5	0	0	0	112.7	L31 T35 N95	L31-N33 WeakPolarHBondContact CD1-OD1 3.28Å; L31-N33 VanDerWaalsContact CD2-OD1 3.31Å; L31-N33 WeakPolarHBondContact CD2-OD1 3.39Å; L31-N33 WeakPolarHBondContact CG-OD1 3.46Å; N33-T35 PolarHBondContact O-N 3.28Å; N33-T35 PolarHBondContact O-OG1 3.1Å; N33-N95 WeakPolarHBondContact CA-OD1 3.39Å; N33-N95 PolarHBondContact OD1-OD1 3.26Å
34	N	90.3	Very high	81.3	Confident	75 Å²	75	67 Å²	67	40%	0.401	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	40.6	176.1	-64.2	-48.9	0	0	0	112.7	K90 K91 G93 W94 N95	N34-K90 WeakPolarHBondContact O-CA 3.3Å; N34-K90 WeakPolarHBondContact O-CD 3.39Å; N34-K91 CarbonylContact C-O 3.52Å; N34-K91 VanDerWaalsContact CA-O 3.31Å; N34-K91 WeakPolarHBondContact CA-O 2.97Å; N34-K91 PolarHBondContact O-N 2.99Å; N34-G93 PolarHBondContact OD1-N 3.39Å; N34-W94 CarbonylContact C-O 3.55Å; N34-W94 VanDerWaalsContact C-O 3.26Å; N34-W94 WeakPolarHBondContact CA-O 3.48Å; N34-W94 PolarHBondContact N-O 2.98Å; N34-N95 PolarHBondContact N-OD1 3Å
35	T	89.9	Confident	80.4	Confident	7 Å²	7	72.1 Å²	72.1	4%	0.043	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.3	-173.1	-53.6	0	0	0	0	110	L32 N33 L88 E89 K90 W94 N95 H96	L32-T35 HydrophobicContact CB-CG2 4.5Å; N33-T35 PolarHBondContact O-N 3.28Å; N33-T35 PolarHBondContact O-OG1 3.1Å; T35-L88 HydrophobicContact CG2-CB 3.73Å; T35-L88 HydrophobicContact CG2-CD1 4.35Å; T35-L88 HydrophobicContact CG2-CD2 3.87Å; T35-L88 HydrophobicContact CG2-CG 4.19Å; T35-E89 CarbonylContact C-O 3.57Å; T35-E89 VanDerWaalsContact CA-O 3.25Å; T35-E89 WeakPolarHBondContact CA-O 3.39Å; T35-K90 PolarHBondContact OG1-NZ 3.37Å; T35-W94 PolarHBondContact N-O 3.33Å; T35-W94 CarbonylContact O-C 3.57Å; T35-N95 CarbonylContact O-C 3.28Å; T35-H96 PolarHBondContact O-N 3.23Å
36	L	88.7	Confident	79.2	Confident	16 Å²	16	75.1 Å²	75.1	8%	0.084	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140	178.5	177.3	74.2	0	0	0	109.7	N66 L88 E89 K91 W94	L36-N66 HydrophobicContact CD1-CB 3.6Å; L36-N66 VanDerWaalsContact CD1-ND2 3.28Å; L36-N66 WeakPolarHBondContact CD1-ND2 3.38Å; L36-L88 CarbonylContact O-C 3.5Å; L36-E89 PolarHBondContact N-O 2.86Å; L36-E89 PolarHBondContact O-N 3.49Å; L36-K91 HydrophobicContact CB-CB 4.03Å; L36-K91 HydrophobicContact CB-CD 4.12Å; L36-K91 HydrophobicContact CD2-CD 3.55Å; L36-K91 HydrophobicContact CG-CD 4.38Å; L36-W94 HydrophobicContact CB-CB 4.28Å; L36-W94 HydrophobicContact CD1-CD2 3.86Å; L36-W94 HydrophobicContact CD1-CE3 3.47Å; L36-W94 VanDerWaalsContact CD1-CE3 3.47Å; L36-W94 HydrophobicContact CD1-CG 4.36Å; L36-W94 HydrophobicContact CD1-CZ3 3.97Å
37	T	86.9	Confident	78.4	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.012	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	129	162	-63.3	0	0	0	0	110.8	Y39 N66 V80 I86 C87 L88 H96	T37-Y39 VanDerWaalsContact C-N 3.3Å; T37-Y39 PolarHBondContact O-N 3.21Å; T37-N66 PolarHBondContact N-OD1 3.44Å; T37-N66 PolarHBondContact O-ND2 3.13Å; T37-V80 HydrophobicContact CG2-CG1 3.95Å; T37-V80 HydrophobicContact CG2-CG2 4.42Å; T37-I86 HydrophobicContact CG2-CG2 3.73Å; T37-I86 WeakPolarHBondContact OG1-CG2 3.33Å; T37-C87 WeakPolarHBondContact CA-O 3.49Å; T37-L88 WeakPolarHBondContact OG1-CD2 3.29Å; T37-H96 PolarHBondContact OG1-CE1 2.84Å; T37-H96 PolarHBondContact OG1-ND1 3.41Å; T37-H96 VanDerWaalsContact OG1-ND1 3.13Å
38	T	72.4	Confident	78.3	Confident	49 Å²	49	75.7 Å²	75.7	30%	0.301	39%	0.388	S	S	.	.	S	Bend	trans	-67	-25.7	-174.8	46.8	0	0	0	0	114.8	S40 C87 E89	T38-S40 PolarHBondContact O-N 3.38Å; T38-C87 PolarHBondContact N-O 3.31Å; T38-E89 HydrophobicContact CG2-CG 3.83Å; T38-E89 WeakPolarHBondContact CG2-OE1 3.46Å; T38-E89 WeakPolarHBondContact CG2-OE2 3.5Å
39	Y	66.6	Low	78.3	Confident	68 Å²	68	71 Å²	71	27%	0.267	37%	0.37	S	S	.	.			trans	-97.5	51	-174.1	-62.4	-70.4	0	0	0	113.8	T37 R83 C119	T37-Y39 VanDerWaalsContact C-N 3.3Å; T37-Y39 PolarHBondContact O-N 3.21Å; Y39-R83 VanDerWaalsContact CE1-NH1 3.27Å; Y39-C119 PolarHBondContact OH-O 2.85Å
40	S	64.3	Low	78.3	Confident	39 Å²	39	74.3 Å²	74.3	27%	0.273	38%	0.382	S	S	.	.			trans	-86.6	116.6	173.6	59.4	0	0	0	0	111.2	T38 S78	T38-S40 PolarHBondContact O-N 3.38Å; S40-S78 VanDerWaalsContact CB-CB 3.46Å
41	V	62.6	Low	78.1	Confident	104 Å²	104	73.3 Å²	73.3	63%	0.63	37%	0.373	S	S	*	.			trans	-96.3	-8.2	-168.4	-175.8	0	0	0	0	113.2
42	F	62.9	Low	78	Confident	119 Å²	119	69.9 Å²	69.9	52%	0.522	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	108.2	178.5	-148.4	-104.1	0	0	0	111.8	L44 S78 L79	F42-L44 HydrophobicContact CD1-CD2 3.53Å; F42-L44 HydrophobicContact CD1-CG 3.8Å; F42-L44 HydrophobicContact CE1-CD2 3.55Å; F42-L44 HydrophobicContact CE1-CG 4.29Å; F42-S78 WeakPolarHBondContact O-CA 3.44Å; F42-S78 WeakPolarHBondContact O-CB 3.27Å; F42-L79 PolarHBondContact O-N 3.35Å
43	Q	63.4	Low	78	Confident	144 Å²	144	67.5 Å²	67.5	67%	0.673	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.7	166.9	-73.4	-177.6	-15.1	0	0	108.1
44	L	65.3	Low	78	Confident	33 Å²	33	66.4 Å²	66.4	17%	0.173	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	151.8	174.2	-69.3	155.1	0	0	0	108.9	F42 L47 L55 C77 L79	F42-L44 HydrophobicContact CD1-CD2 3.53Å; F42-L44 HydrophobicContact CD1-CG 3.8Å; F42-L44 HydrophobicContact CE1-CD2 3.55Å; F42-L44 HydrophobicContact CE1-CG 4.29Å; L44-L47 HydrophobicContact CB-CD1 3.81Å; L44-L47 HydrophobicContact CD1-CD1 3.99Å; L44-L47 HydrophobicContact CG-CD1 4.37Å; L44-L55 HydrophobicContact CD1-CD2 3.24Å; L44-L55 HydrophobicContact CD2-CD2 4.1Å; L44-L55 HydrophobicContact CG-CD2 4.31Å; L44-C77 PolarHBondContact N-O 2.82Å; L44-L79 HydrophobicContact CD1-CD1 4.2Å; L44-L79 HydrophobicContact CD1-CD2 4.26Å; L44-L79 HydrophobicContact CD1-CG 3.96Å
45	K	67.3	Low	77.9	Confident	184 Å²	184	65.3 Å²	65.3	80%	0.8	33%	0.329	S	S	*	.	S	Bend	trans	-43.5	153.8	164.7	-72.2	-180	179.8	179.3	0	109.4	L47	K45-L47 WeakPolarHBondContact O-CG 3.49Å; K45-L47 PolarHBondContact O-N 2.04Å
46	P	62.8	Low	77.9	Confident	85 Å²	85	65 Å²	65	55%	0.552	33%	0.327	S	S	*	.	S	Bend	trans	-48.9	116.3	177.3	20.4	-32.9	0	0	0	109.7	S75	P46-S75 WeakPolarHBondContact CA-O 3.33Å
47	L	73.4	Confident	78	Confident	48 Å²	48	64.8 Å²	64.8	25%	0.251	33%	0.327	S	S	.	.			trans	-122.7	147.2	178.8	-79.1	172.8	0	0	0	107.2	L44 K45 D51 F67 S75	L44-L47 HydrophobicContact CB-CD1 3.81Å; L44-L47 HydrophobicContact CD1-CD1 3.99Å; L44-L47 HydrophobicContact CG-CD1 4.37Å; K45-L47 WeakPolarHBondContact O-CG 3.49Å; K45-L47 PolarHBondContact O-N 2.04Å; L47-D51 HydrophobicContact CB-CB 4.2Å; L47-D51 HydrophobicContact CD2-CB 3.96Å; L47-F67 WeakPolarHBondContact O-CE2 3.38Å; L47-S75 PolarHBondContact N-OG 3.28Å; L47-S75 WeakPolarHBondContact O-CB 3.27Å; L47-S75 PolarHBondContact O-OG 2.88Å
48	E	85.7	Confident	78.1	Confident	141 Å²	141	68 Å²	68	66%	0.659	35%	0.35	S	S	*	.			trans	-63.3	156.3	168.2	-61.1	-167.9	160.4	0	0	109.5	Q50 D51 C52	E48-Q50 PolarHBondContact O-N 3.09Å; E48-D51 PolarHBondContact O-N 3.06Å; E48-C52 PolarHBondContact O-N 3.49Å; E48-C52 VanDerWaalsContact O-N 3.1Å
49	L	88.1	Confident	78.8	Confident	51 Å²	51	68.5 Å²	68.5	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-54.5	-43.9	179.5	173.3	62.2	0	0	0	110.8	D51 C52 L53 I65 F67 Y97	L49-D51 PolarHBondContact O-N 3.45Å; L49-C52 PolarHBondContact O-N 2.96Å; L49-L53 HydrophobicContact CD1-CD1 3.92Å; L49-L53 HydrophobicContact CD1-CG 4.06Å; L49-L53 HydrophobicContact CD2-CD1 4.44Å; L49-L53 HydrophobicContact CG-CD1 3.81Å; L49-L53 HydrophobicContact CG-CG 4.36Å; L49-L53 WeakPolarHBondContact O-CG 3.19Å; L49-L53 PolarHBondContact O-N 3.02Å; L49-I65 HydrophobicContact CD1-CD1 3.84Å; L49-F67 HydrophobicContact CB-CD1 4.46Å; L49-F67 HydrophobicContact CB-CE1 4.02Å; L49-F67 HydrophobicContact CB-CE2 4.07Å; L49-F67 HydrophobicContact CB-CZ 3.8Å; L49-F67 HydrophobicContact CD1-CB 4.13Å; L49-F67 HydrophobicContact CD1-CD1 4.04Å; L49-F67 HydrophobicContact CD1-CD2 3.96Å; L49-F67 HydrophobicContact CD1-CE1 4.43Å; L49-F67 HydrophobicContact CD1-CE2 4.37Å; L49-F67 HydrophobicContact CD1-CG 3.77Å; L49-Y97 HydrophobicContact CD1-CD1 4.44Å; L49-Y97 HydrophobicContact CD1-CD2 4.05Å; L49-Y97 HydrophobicContact CD1-CE1 4.02Å; L49-Y97 HydrophobicContact CD1-CE2 3.61Å; L49-Y97 HydrophobicContact CD1-CG 4.46Å; L49-Y97 HydrophobicContact CD2-CE1 3.92Å; L49-Y97 WeakPolarHBondContact CD2-OH 2.91Å
50	Q	88.5	Confident	79.6	Confident	91 Å²	91	73.9 Å²	73.9	43%	0.425	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-45.8	-179.3	-168.9	65.5	9.6	0	0	111.6	E48 C52 L53 M54	E48-Q50 PolarHBondContact O-N 3.09Å; Q50-C52 VanDerWaalsContact C-N 3.29Å; Q50-C52 PolarHBondContact O-N 3.03Å; Q50-L53 PolarHBondContact O-N 3.39Å; Q50-M54 HydrophobicContact CG-CE 4.2Å; Q50-M54 HydrophobicContact CG-SD 4.49Å; Q50-M54 WeakPolarHBondContact O-CB 3.38Å; Q50-M54 VanDerWaalsContact O-CG 3.3Å; Q50-M54 WeakPolarHBondContact O-CG 3.47Å; Q50-M54 PolarHBondContact O-N 3.24Å
51	D	87.7	Confident	80.6	Confident	61 Å²	61	79.4 Å²	79.4	33%	0.326	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-39.9	178.2	-64.3	-37.3	0	0	0	111.9	L47 E48 L49 M54 L55	L47-D51 HydrophobicContact CB-CB 4.2Å; L47-D51 HydrophobicContact CD2-CB 3.96Å; E48-D51 PolarHBondContact O-N 3.06Å; L49-D51 PolarHBondContact O-N 3.45Å; D51-M54 PolarHBondContact O-N 2.92Å; D51-M54 WeakPolarHBondContact OD1-CE 3.37Å; D51-L55 VanDerWaalsContact O-CB 3.3Å; D51-L55 WeakPolarHBondContact O-CB 3.31Å; D51-L55 PolarHBondContact O-N 3.07Å
52	C	89.6	Confident	81.7	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-71.5	-38.6	179.5	-160.2	0	0	0	0	112.9	E48 L49 Q50 L55 C56 I65 C77	E48-C52 PolarHBondContact O-N 3.49Å; E48-C52 VanDerWaalsContact O-N 3.1Å; L49-C52 PolarHBondContact O-N 2.96Å; Q50-C52 VanDerWaalsContact C-N 3.29Å; Q50-C52 PolarHBondContact O-N 3.03Å; C52-L55 PolarHBondContact O-N 2.81Å; C52-C56 PolarHBondContact O-N 3.17Å; C52-I65 HydrophobicContact CB-CD1 4.06Å; C52-C77 HydrophobicContact CB-CB 3.61Å; C52-C77 WeakPolarHBondContact CB-SG 3.26Å; C52-C77 WeakPolarHBondContact SG-CB 3.4Å; C52-C77 CovalentContact SG-SG 1.98Å; C52-C77 PolarHBondContact SG-SG 3.36Å
53	L	91.7	Very high	83	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-46.9	172.9	-70.1	169.9	0	0	0	110.4	V26 A29 L49 Q50 L55 C56 C57 I65 Y97 I99	V26-L53 HydrophobicContact CB-CB 4.45Å; V26-L53 HydrophobicContact CG1-CB 3.94Å; V26-L53 HydrophobicContact CG1-CD1 3.78Å; V26-L53 HydrophobicContact CG1-CG 4.45Å; V26-L53 HydrophobicContact CG2-CB 3.86Å; A29-L53 HydrophobicContact CB-CD2 4.09Å; L49-L53 HydrophobicContact CD1-CD1 3.92Å; L49-L53 HydrophobicContact CD1-CG 4.06Å; L49-L53 HydrophobicContact CD2-CD1 4.44Å; L49-L53 HydrophobicContact CG-CD1 3.81Å; L49-L53 HydrophobicContact CG-CG 4.36Å; L49-L53 WeakPolarHBondContact O-CG 3.19Å; L49-L53 PolarHBondContact O-N 3.02Å; Q50-L53 PolarHBondContact O-N 3.39Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 2.82Å; L53-C56 PolarHBondContact O-N 3.35Å; L53-C57 WeakPolarHBondContact O-CB 3.47Å; L53-C57 PolarHBondContact O-N 2.8Å; L53-C57 PolarHBondContact O-SG 3.24Å; L53-C57 VanDerWaalsContact O-SG 3.38Å; L53-I65 HydrophobicContact CD2-CD1 3.47Å; L53-I65 VanDerWaalsContact CD2-CD1 3.47Å; L53-I65 HydrophobicContact CD2-CG1 3.87Å; L53-I65 HydrophobicContact CG-CD1 3.73Å; L53-Y97 HydrophobicContact CD2-CD1 4.24Å; L53-Y97 HydrophobicContact CD2-CG 4.1Å; L53-I99 HydrophobicContact CD2-CD1 3.79Å; L53-I99 HydrophobicContact CD2-CG1 4.31Å
54	M	89.9	Confident	84.3	Confident	70 Å²	70	62.5 Å²	62.5	35%	0.345	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-43.7	176.1	-74.3	-168.8	-60.4	0	0	111.8	V26 Q50 D51 C57 S58	V26-M54 HydrophobicContact CG2-CG 4.08Å; Q50-M54 HydrophobicContact CG-CE 4.2Å; Q50-M54 HydrophobicContact CG-SD 4.49Å; Q50-M54 WeakPolarHBondContact O-CB 3.38Å; Q50-M54 VanDerWaalsContact O-CG 3.3Å; Q50-M54 WeakPolarHBondContact O-CG 3.47Å; Q50-M54 PolarHBondContact O-N 3.24Å; D51-M54 PolarHBondContact O-N 2.92Å; D51-M54 WeakPolarHBondContact OD1-CE 3.37Å; M54-C57 CarbonylContact O-C 3.56Å; M54-C57 WeakPolarHBondContact O-CB 3.44Å; M54-C57 PolarHBondContact O-N 2.85Å; M54-S58 PolarHBondContact O-N 3.5Å
55	L	89.1	Confident	85.5	Confident	51 Å²	51	60.9 Å²	60.9	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-45.9	177.3	-177.3	66.5	0	0	0	111.1	L44 D51 C52 L53 C57 S58 Q59 L79	L44-L55 HydrophobicContact CD1-CD2 3.24Å; L44-L55 HydrophobicContact CD2-CD2 4.1Å; L44-L55 HydrophobicContact CG-CD2 4.31Å; D51-L55 VanDerWaalsContact O-CB 3.3Å; D51-L55 WeakPolarHBondContact O-CB 3.31Å; D51-L55 PolarHBondContact O-N 3.07Å; C52-L55 PolarHBondContact O-N 2.81Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 2.82Å; L55-C57 VanDerWaalsContact C-N 3.32Å; L55-C57 PolarHBondContact O-N 1.98Å; L55-S58 PolarHBondContact O-N 3.4Å; L55-S58 PolarHBondContact O-OG 2.63Å; L55-Q59 WeakPolarHBondContact O-CG 3.44Å; L55-Q59 PolarHBondContact O-N 2.03Å; L55-L79 HydrophobicContact CD2-CD1 4.09Å; L55-L79 HydrophobicContact CG-CD1 4.26Å
56	C	90.1	Very high	86.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-45.7	173.9	-173	0	0	0	0	110.8	C52 L53 S58 Q59 C62 I65 L79 I99 K101	C52-C56 PolarHBondContact O-N 3.17Å; L53-C56 PolarHBondContact O-N 3.35Å; C56-S58 VanDerWaalsContact C-N 3.26Å; C56-S58 PolarHBondContact O-N 2.99Å; C56-Q59 PolarHBondContact O-N 3.48Å; C56-Q59 VanDerWaalsContact O-O 3.12Å; C56-C62 WeakPolarHBondContact CA-SG 2.96Å; C56-C62 HydrophobicContact CB-CB 4.01Å; C56-C62 WeakPolarHBondContact CB-SG 3.34Å; C56-C62 WeakPolarHBondContact O-CB 2.99Å; C56-C62 WeakPolarHBondContact SG-CB 3.04Å; C56-C62 CovalentContact SG-SG 2.03Å; C56-C62 PolarHBondContact SG-SG 3.3Å; C56-I65 HydrophobicContact CB-CG2 3.58Å; C56-L79 HydrophobicContact CB-CD2 3.9Å; C56-I99 HydrophobicContact CB-CD1 3.49Å; C56-I99 VanDerWaalsContact CB-CD1 3.49Å; C56-I99 WeakPolarHBondContact SG-CD1 3.43Å; C56-K101 PolarHBondContact O-NZ 3.03Å
57	C	90.8	Very high	88.1	Confident	13 Å²	13	48.5 Å²	48.5	9%	0.088	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-33.4	176.9	-78.4	0	0	0	0	113.7	L22 C25 L53 M54 L55 Q59 K101	L22-C57 VanDerWaalsContact CD2-C 3.45Å; L22-C57 HydrophobicContact CD2-CB 3.66Å; C25-C57 HydrophobicContact CB-CB 3.72Å; C25-C57 WeakPolarHBondContact CB-SG 3.45Å; C25-C57 WeakPolarHBondContact SG-CA 3.05Å; C25-C57 WeakPolarHBondContact SG-CB 3.21Å; C25-C57 CovalentContact SG-SG 2.04Å; C25-C57 PolarHBondContact SG-SG 3.36Å; L53-C57 WeakPolarHBondContact O-CB 3.47Å; L53-C57 PolarHBondContact O-N 2.8Å; L53-C57 PolarHBondContact O-SG 3.24Å; L53-C57 VanDerWaalsContact O-SG 3.38Å; M54-C57 CarbonylContact O-C 3.56Å; M54-C57 WeakPolarHBondContact O-CB 3.44Å; M54-C57 PolarHBondContact O-N 2.85Å; L55-C57 VanDerWaalsContact C-N 3.32Å; L55-C57 PolarHBondContact O-N 1.98Å; C57-Q59 VanDerWaalsContact C-N 3.34Å; C57-K101 VanDerWaalsContact CA-NZ 3.32Å; C57-K101 PolarHBondContact O-NZ 2.91Å
58	S	88.2	Confident	88.8	Confident	70 Å²	70	49.1 Å²	49.1	49%	0.49	24%	0.24	S	C	.	.	H	α-helix	trans	-72.9	-22.9	174.9	76.9	0	0	0	0	114.1	M54 L55 C56	M54-S58 PolarHBondContact O-N 3.5Å; L55-S58 PolarHBondContact O-N 3.4Å; L55-S58 PolarHBondContact O-OG 2.63Å; C56-S58 VanDerWaalsContact C-N 3.26Å; C56-S58 PolarHBondContact O-N 2.99Å
59	Q	87.3	Confident	88.6	Confident	59 Å²	59	48 Å²	48	28%	0.276	23%	0.233	S	C	.	.	S	Bend	trans	-97.7	116.2	-177.2	-67.4	-172.1	26	0	0	112.1	L55 C56 C57 K61 C62 Y81 K101	L55-Q59 WeakPolarHBondContact O-CG 3.44Å; L55-Q59 PolarHBondContact O-N 2.03Å; C56-Q59 PolarHBondContact O-N 3.48Å; C56-Q59 VanDerWaalsContact O-O 3.12Å; C57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-K61 PolarHBondContact O-N 2.94Å; Q59-K61 VanDerWaalsContact O-N 3.11Å; Q59-C62 HydrophobicContact CB-CB 3.91Å; Q59-C62 PolarHBondContact O-N 3.2Å; Q59-Y81 VanDerWaalsContact OE1-CE1 3.26Å; Q59-Y81 PolarHBondContact OE1-OH 3.34Å; Q59-K101 PolarHBondContact O-NZ 3.16Å
60	E	83.7	Confident	87.9	Confident	181 Å²	181	51.9 Å²	51.9	85%	0.846	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-40.9	-176.7	-170.5	-176.3	176.3	0	0	113.7
61	K	84.1	Confident	86.9	Confident	154 Å²	154	50.5 Å²	50.5	67%	0.67	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.7	-176	-62.8	-176	179.6	179.2	0	114.5	Q59 L63 Y81 Y82	Q59-K61 PolarHBondContact O-N 2.94Å; Q59-K61 VanDerWaalsContact O-N 3.11Å; K61-L63 PolarHBondContact O-N 3.26Å; K61-Y81 HydrophobicContact CB-CD1 3.88Å; K61-Y81 HydrophobicContact CB-CE1 4.47Å; K61-Y81 WeakPolarHBondContact O-CA 3.33Å; K61-Y81 WeakPolarHBondContact O-CD1 3.42Å; K61-Y82 PolarHBondContact O-N 3.42Å
62	C	87.2	Confident	85.7	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.5	-179.5	-172.4	0	0	0	0	109.8	C56 Q59 A64 Y81	C56-C62 WeakPolarHBondContact CA-SG 2.96Å; C56-C62 HydrophobicContact CB-CB 4.01Å; C56-C62 WeakPolarHBondContact CB-SG 3.34Å; C56-C62 WeakPolarHBondContact O-CB 2.99Å; C56-C62 WeakPolarHBondContact SG-CB 3.04Å; C56-C62 CovalentContact SG-SG 2.03Å; C56-C62 PolarHBondContact SG-SG 3.3Å; Q59-C62 HydrophobicContact CB-CB 3.91Å; Q59-C62 PolarHBondContact O-N 3.2Å; C62-A64 PolarHBondContact SG-O 3.29Å; C62-A64 VanDerWaalsContact SG-O 3.4Å; C62-Y81 HydrophobicContact CB-CD1 4.37Å; C62-Y81 HydrophobicContact CB-CE1 4.18Å
63	L	88.4	Confident	84.5	Confident	12 Å²	12	59 Å²	59	6%	0.063	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-29.3	-179.5	-75.1	-170.9	0	0	0	113.2	K61 V80 Y82 I86 I99 I106	K61-L63 PolarHBondContact O-N 3.26Å; L63-V80 PolarHBondContact N-O 2.86Å; L63-Y82 VanDerWaalsContact CD1-CA 3.41Å; L63-Y82 HydrophobicContact CD1-CD2 3.68Å; L63-Y82 HydrophobicContact CD1-CG 4.15Å; L63-Y82 HydrophobicContact CD2-CD2 4.17Å; L63-Y82 HydrophobicContact CG-CD2 4.22Å; L63-I86 HydrophobicContact CD1-CD1 4.02Å; L63-I99 CarbonylContact O-C 3.57Å; L63-I99 VanDerWaalsContact O-C 3.28Å; L63-I99 VanDerWaalsContact O-CA 3.31Å; L63-I99 WeakPolarHBondContact O-CA 3.15Å; L63-I99 PolarHBondContact O-N 2.95Å; L63-I106 HydrophobicContact CD1-CD1 3.73Å; L63-I106 HydrophobicContact CD1-CG1 4.37Å; L63-I106 HydrophobicContact CD2-CD1 4.08Å
64	A	90.5	Very high	83.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	170.4	-174.4	0	0	0	0	0	110.3	C62 V80 H96 Y97 L98	C62-A64 PolarHBondContact SG-O 3.29Å; C62-A64 VanDerWaalsContact SG-O 3.4Å; A64-V80 HydrophobicContact CB-CB 3.97Å; A64-V80 HydrophobicContact CB-CG1 4.48Å; A64-V80 HydrophobicContact CB-CG2 4.39Å; A64-V80 PolarHBondContact N-O 2.83Å; A64-V80 WeakPolarHBondContact O-CB 3.12Å; A64-V80 PolarHBondContact O-N 2.94Å; A64-H96 WeakPolarHBondContact CB-CE1 3.5Å; A64-H96 WeakPolarHBondContact CB-NE2 3.3Å; A64-Y97 CarbonylContact C-O 3.51Å; A64-Y97 WeakPolarHBondContact CA-O 3.25Å; A64-Y97 WeakPolarHBondContact CB-O 3.28Å; A64-L98 HydrophobicContact CB-CD1 4.28Å
65	I	92.1	Very high	82.9	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.4	168	65.3	164.9	0	0	0	110.4	L49 C52 L53 C56 F67 S78 L79 H96 Y97 I99	L49-I65 HydrophobicContact CD1-CD1 3.84Å; C52-I65 HydrophobicContact CB-CD1 4.06Å; L53-I65 HydrophobicContact CD2-CD1 3.47Å; L53-I65 VanDerWaalsContact CD2-CD1 3.47Å; L53-I65 HydrophobicContact CD2-CG1 3.87Å; L53-I65 HydrophobicContact CG-CD1 3.73Å; C56-I65 HydrophobicContact CB-CG2 3.58Å; I65-F67 HydrophobicContact CD1-CB 4.34Å; I65-S78 CarbonylContact C-O 3.54Å; I65-S78 VanDerWaalsContact CA-O 3.31Å; I65-S78 WeakPolarHBondContact CA-O 3.38Å; I65-L79 HydrophobicContact CG2-CD2 3.58Å; I65-H96 CarbonylContact O-C 3.58Å; I65-H96 WeakPolarHBondContact O-CA 3.42Å; I65-Y97 HydrophobicContact CD1-CD2 4.08Å; I65-Y97 HydrophobicContact CD1-CG 4.34Å; I65-Y97 HydrophobicContact CG1-CD2 3.95Å; I65-Y97 HydrophobicContact CG1-CG 4.13Å; I65-Y97 PolarHBondContact N-O 3.24Å; I65-Y97 PolarHBondContact O-N 3.04Å; I65-I99 HydrophobicContact CG2-CD1 4.49Å
66	N	91.8	Very high	82.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.2	159.9	-67.2	-33.4	0	0	0	107.6	L36 T37 C77 S78 W94 H96	L36-N66 HydrophobicContact CD1-CB 3.6Å; L36-N66 VanDerWaalsContact CD1-ND2 3.28Å; L36-N66 WeakPolarHBondContact CD1-ND2 3.38Å; T37-N66 PolarHBondContact N-OD1 3.44Å; T37-N66 PolarHBondContact O-ND2 3.13Å; N66-C77 CarbonylContact O-C 3.39Å; N66-C77 WeakPolarHBondContact O-CA 3.49Å; N66-S78 PolarHBondContact N-O 3.21Å; N66-S78 PolarHBondContact O-N 3.33Å; N66-W94 HydrophobicContact CB-CE3 4.15Å; N66-W94 HydrophobicContact CB-CZ3 4.18Å; N66-H96 PolarHBondContact OD1-ND1 3.33Å
67	F	91.3	Very high	82.6	Confident	9 Å²	9	62.8 Å²	62.8	4%	0.039	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.4	-179.8	-165.8	-97	0	0	0	110.1	L47 L49 I65 F69 S75 N76 C77 W94 N95 Y97	L47-F67 WeakPolarHBondContact O-CE2 3.38Å; L49-F67 HydrophobicContact CB-CD1 4.46Å; L49-F67 HydrophobicContact CB-CE1 4.02Å; L49-F67 HydrophobicContact CB-CE2 4.07Å; L49-F67 HydrophobicContact CB-CZ 3.8Å; L49-F67 HydrophobicContact CD1-CB 4.13Å; L49-F67 HydrophobicContact CD1-CD1 4.04Å; L49-F67 HydrophobicContact CD1-CD2 3.96Å; L49-F67 HydrophobicContact CD1-CE1 4.43Å; L49-F67 HydrophobicContact CD1-CE2 4.37Å; L49-F67 HydrophobicContact CD1-CG 3.77Å; I65-F67 HydrophobicContact CD1-CB 4.34Å; F67-F69 HydrophobicContact CE1-CB 4.21Å; F67-F69 HydrophobicContact CE1-CD2 4.23Å; F67-S75 VanDerWaalsContact CZ-CB 3.47Å; F67-N76 CarbonylContact C-O 3.53Å; F67-N76 WeakPolarHBondContact CA-O 3.2Å; F67-C77 HydrophobicContact CD2-CB 3.89Å; F67-C77 HydrophobicContact CE2-CB 4.29Å; F67-W94 CarbonylContact O-C 3.18Å; F67-W94 WeakPolarHBondContact O-CA 3.31Å; F67-N95 PolarHBondContact N-O 3.38Å; F67-N95 PolarHBondContact O-N 2.83Å; F67-Y97 HydrophobicContact CB-CD2 4.17Å; F67-Y97 HydrophobicContact CB-CE2 3.83Å
68	Y	89.1	Confident	82.6	Confident	60 Å²	60	62.1 Å²	62.1	24%	0.235	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.3	174.6	176.8	-108.9	0	0	0	108.8	K70 S75 N76 G93 W94	Y68-K70 HydrophobicContact CD1-CB 4.16Å; Y68-K70 HydrophobicContact CE1-CB 3.48Å; Y68-K70 VanDerWaalsContact CE1-CB 3.48Å; Y68-K70 HydrophobicContact CE1-CD 4.08Å; Y68-K70 HydrophobicContact CE1-CG 3.8Å; Y68-S75 CarbonylContact O-C 3.5Å; Y68-S75 WeakPolarHBondContact O-CA 3.31Å; Y68-N76 PolarHBondContact N-O 2.73Å; Y68-N76 PolarHBondContact O-N 2.92Å; Y68-G93 VanDerWaalsContact CD2-C 3.48Å; Y68-G93 WeakPolarHBondContact CD2-O 3.11Å; Y68-W94 AromaticContact CD2-CD1 3.52Å; Y68-W94 HydrophobicContact CD2-CD2 4.08Å; Y68-W94 AromaticContact CD2-CE2 3.83Å; Y68-W94 AromaticContact CD2-CG 3.95Å; Y68-W94 HydrophobicContact CD2-CG 3.95Å; Y68-W94 AromaticContact CD2-NE1 3.45Å; Y68-W94 HydrophobicContact CG-CD2 4.17Å; Y68-W94 AromaticContact CG-CE2 3.81Å; Y68-W94 HydrophobicContact CG-CZ2 4.07Å; Y68-W94 AromaticContact CG-NE1 3.88Å
69	F	80.8	Confident	82.6	Confident	119 Å²	119	58.9 Å²	58.9	52%	0.522	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.2	173.7	-168.4	-95.5	0	0	0	109.3	F67	F67-F69 HydrophobicContact CE1-CB 4.21Å; F67-F69 HydrophobicContact CE1-CD2 4.23Å
70	K	73.7	Confident	82.6	Confident	131 Å²	131	56.2 Å²	56.2	57%	0.57	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	-49.1	175.3	-159	174.2	-178.2	169.8	0	111.3	Y68 K74	Y68-K70 HydrophobicContact CD1-CB 4.16Å; Y68-K70 HydrophobicContact CE1-CB 3.48Å; Y68-K70 VanDerWaalsContact CE1-CB 3.48Å; Y68-K70 HydrophobicContact CE1-CD 4.08Å; Y68-K70 HydrophobicContact CE1-CG 3.8Å; K70-K74 WeakPolarHBondContact CA-O 3.24Å; K70-K74 HydrophobicContact CB-CB 4.01Å; K70-K74 WeakPolarHBondContact CB-O 3.2Å; K70-K74 PolarHBondContact N-O 2.98Å
71	T	67.2	Low	82.6	Confident	63 Å²	63	50.9 Å²	50.9	39%	0.387	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	167.6	-175.3	53.4	0	0	0	0	108.4	T73 K74	T71-T73 PolarHBondContact O-N 3.12Å; T71-K74 PolarHBondContact N-O 2.8Å; T71-K74 CarbonylContact O-C 3.59Å; T71-K74 PolarHBondContact O-N 2.79Å; T71-K74 WeakPolarHBondContact OG1-CB 3.36Å; T71-K74 PolarHBondContact OG1-N 2.85Å
72	T	63.3	Low	82.2	Confident	133 Å²	133	47.6 Å²	47.6	82%	0.816	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-27.5	176.5	51	0	0	0	0	114.6
73	T	63.8	Low	81.6	Confident	106 Å²	106	52.9 Å²	52.9	65%	0.65	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-1.4	-178.6	55.8	0	0	0	0	114.7	T71	T71-T73 PolarHBondContact O-N 3.12Å
74	K	68.1	Low	80.9	Confident	126 Å²	126	57.6 Å²	57.6	55%	0.548	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	91.9	-177.4	-63.3	-177.4	-179.3	178.5	0	109.3	K70 T71	K70-K74 WeakPolarHBondContact CA-O 3.24Å; K70-K74 HydrophobicContact CB-CB 4.01Å; K70-K74 WeakPolarHBondContact CB-O 3.2Å; K70-K74 PolarHBondContact N-O 2.98Å; T71-K74 PolarHBondContact N-O 2.8Å; T71-K74 CarbonylContact O-C 3.59Å; T71-K74 PolarHBondContact O-N 2.79Å; T71-K74 WeakPolarHBondContact OG1-CB 3.36Å; T71-K74 PolarHBondContact OG1-N 2.85Å
75	S	79.9	Confident	80.3	Confident	14 Å²	14	59.9 Å²	59.9	10%	0.098	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	150	164.1	54.7	0	0	0	0	109.4	P46 L47 F67 Y68	P46-S75 WeakPolarHBondContact CA-O 3.33Å; L47-S75 PolarHBondContact N-OG 3.28Å; L47-S75 WeakPolarHBondContact O-CB 3.27Å; L47-S75 PolarHBondContact O-OG 2.88Å; F67-S75 VanDerWaalsContact CZ-CB 3.47Å; Y68-S75 CarbonylContact O-C 3.5Å; Y68-S75 WeakPolarHBondContact O-CA 3.31Å
76	N	86	Confident	79.8	Confident	68 Å²	68	60.1 Å²	60.1	36%	0.364	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.6	160.7	-72	-20.2	0	0	0	107.5	F67 Y68 W94	F67-N76 CarbonylContact C-O 3.53Å; F67-N76 WeakPolarHBondContact CA-O 3.2Å; Y68-N76 PolarHBondContact N-O 2.73Å; Y68-N76 PolarHBondContact O-N 2.92Å; N76-W94 HydrophobicContact CB-CH2 3.96Å; N76-W94 HydrophobicContact CB-CZ3 4.5Å
77	C	88.1	Confident	79.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.3	166.8	-162.2	0	0	0	0	110.9	L44 C52 N66 F67	L44-C77 PolarHBondContact N-O 2.82Å; C52-C77 HydrophobicContact CB-CB 3.61Å; C52-C77 WeakPolarHBondContact CB-SG 3.26Å; C52-C77 WeakPolarHBondContact SG-CB 3.4Å; C52-C77 CovalentContact SG-SG 1.98Å; C52-C77 PolarHBondContact SG-SG 3.36Å; N66-C77 CarbonylContact O-C 3.39Å; N66-C77 WeakPolarHBondContact O-CA 3.49Å; F67-C77 HydrophobicContact CD2-CB 3.89Å; F67-C77 HydrophobicContact CE2-CB 4.29Å
78	S	89.4	Confident	79.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132.2	171.1	-45	0	0	0	0	111.6	S40 F42 I65 N66	S40-S78 VanDerWaalsContact CB-CB 3.46Å; F42-S78 WeakPolarHBondContact O-CA 3.44Å; F42-S78 WeakPolarHBondContact O-CB 3.27Å; I65-S78 CarbonylContact C-O 3.54Å; I65-S78 VanDerWaalsContact CA-O 3.31Å; I65-S78 WeakPolarHBondContact CA-O 3.38Å; N66-S78 PolarHBondContact N-O 3.21Å; N66-S78 PolarHBondContact O-N 3.33Å
79	L	88.7	Confident	79.4	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	140.6	178	-55.7	-176.3	0	0	0	110.4	F42 L44 L55 C56 I65 Y81	F42-L79 PolarHBondContact O-N 3.35Å; L44-L79 HydrophobicContact CD1-CD1 4.2Å; L44-L79 HydrophobicContact CD1-CD2 4.26Å; L44-L79 HydrophobicContact CD1-CG 3.96Å; L55-L79 HydrophobicContact CD2-CD1 4.09Å; L55-L79 HydrophobicContact CG-CD1 4.26Å; C56-L79 HydrophobicContact CB-CD2 3.9Å; I65-L79 HydrophobicContact CG2-CD2 3.58Å; L79-Y81 HydrophobicContact CB-CE2 4.05Å; L79-Y81 WeakPolarHBondContact CD1-OH 3.35Å
80	V	88.3	Confident	79.8	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.7	175.8	-178	0	0	0	0	107.6	T37 L63 A64	T37-V80 HydrophobicContact CG2-CG1 3.95Å; T37-V80 HydrophobicContact CG2-CG2 4.42Å; L63-V80 PolarHBondContact N-O 2.86Å; A64-V80 HydrophobicContact CB-CB 3.97Å; A64-V80 HydrophobicContact CB-CG1 4.48Å; A64-V80 HydrophobicContact CB-CG2 4.39Å; A64-V80 PolarHBondContact N-O 2.83Å; A64-V80 WeakPolarHBondContact O-CB 3.12Å; A64-V80 PolarHBondContact O-N 2.94Å
81	Y	83.4	Confident	80.5	Confident	69 Å²	69	60.9 Å²	60.9	27%	0.271	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	161.5	179.7	-64	-78.8	0	0	0	111.4	Q59 K61 C62 L79 R83	Q59-Y81 VanDerWaalsContact OE1-CE1 3.26Å; Q59-Y81 PolarHBondContact OE1-OH 3.34Å; K61-Y81 HydrophobicContact CB-CD1 3.88Å; K61-Y81 HydrophobicContact CB-CE1 4.47Å; K61-Y81 WeakPolarHBondContact O-CA 3.33Å; K61-Y81 WeakPolarHBondContact O-CD1 3.42Å; C62-Y81 HydrophobicContact CB-CD1 4.37Å; C62-Y81 HydrophobicContact CB-CE1 4.18Å; L79-Y81 HydrophobicContact CB-CE2 4.05Å; L79-Y81 WeakPolarHBondContact CD1-OH 3.35Å; Y81-R83 PolarHBondContact O-N 3.01Å
82	Y	74.3	Confident	81.4	Confident	86 Å²	86	63 Å²	63	34%	0.337	32%	0.318	S	S	.	.			trans	-52.1	130.8	-176.6	-177.2	-87.6	0	0	0	114.5	K61 L63 N84 I106	K61-Y82 PolarHBondContact O-N 3.42Å; L63-Y82 VanDerWaalsContact CD1-CA 3.41Å; L63-Y82 HydrophobicContact CD1-CD2 3.68Å; L63-Y82 HydrophobicContact CD1-CG 4.15Å; L63-Y82 HydrophobicContact CD2-CD2 4.17Å; L63-Y82 HydrophobicContact CG-CD2 4.22Å; Y82-N84 VanDerWaalsContact CE1-OD1 3.3Å; Y82-N84 WeakPolarHBondContact CE1-OD1 3.46Å; Y82-N84 PolarHBondContact OH-OD1 3.36Å; Y82-N84 VanDerWaalsContact OH-OD1 3.12Å; Y82-I106 HydrophobicContact CE2-CG1 4.25Å
83	R	74.7	Confident	82.6	Confident	111 Å²	111	57.9 Å²	57.9	42%	0.419	29%	0.293	S	S	.	.			trans	-142.5	153.2	163	-68	-170.6	173.1	-163.3	-1.5	108	Y39 Y81 T85	Y39-R83 VanDerWaalsContact CE1-NH1 3.27Å; Y81-R83 PolarHBondContact O-N 3.01Å; R83-T85 PolarHBondContact O-N 2.57Å
84	N	74.9	Confident	83.8	Confident	111 Å²	111	54.3 Å²	54.3	59%	0.594	27%	0.267	S	S	*	.	S	Bend	trans	-61.6	-33	176.7	-65	-1.7	0	0	0	111.6	Y82 E107	Y82-N84 VanDerWaalsContact CE1-OD1 3.3Å; Y82-N84 WeakPolarHBondContact CE1-OD1 3.46Å; Y82-N84 PolarHBondContact OH-OD1 3.36Å; Y82-N84 VanDerWaalsContact OH-OD1 3.12Å; N84-E107 PolarHBondContact O-N 2.74Å
85	T	76.9	Confident	85	Confident	48 Å²	48	49.7 Å²	49.7	29%	0.294	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.5	-179.7	-50.2	0	0	0	0	109.7	R83 E107 I109	R83-T85 PolarHBondContact O-N 2.57Å; T85-E107 WeakPolarHBondContact CA-O 3.41Å; T85-I109 HydrophobicContact CG2-CB 4.49Å; T85-I109 HydrophobicContact CG2-CD1 3.38Å; T85-I109 HydrophobicContact CG2-CG1 3.79Å
86	I	82.5	Confident	85.5	Confident	4 Å²	4	49 Å²	49	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.9	173.9	-64.7	-175.1	0	0	0	108.6	T37 L63 L88 I106 E107 F108 I109	T37-I86 HydrophobicContact CG2-CG2 3.73Å; T37-I86 WeakPolarHBondContact OG1-CG2 3.33Å; L63-I86 HydrophobicContact CD1-CD1 4.02Å; I86-L88 HydrophobicContact CG2-CD2 4.06Å; I86-L88 HydrophobicContact CG2-CG 4.5Å; I86-I106 HydrophobicContact CB-CG2 4.42Å; I86-I106 HydrophobicContact CD1-CG2 3.65Å; I86-I106 HydrophobicContact CG1-CG2 3.81Å; I86-E107 PolarHBondContact N-O 3.31Å; I86-F108 HydrophobicContact CB-CD1 3.95Å; I86-F108 HydrophobicContact CB-CE1 4.1Å; I86-F108 HydrophobicContact CD1-CE1 3.86Å; I86-F108 HydrophobicContact CD1-CZ 4.36Å; I86-F108 HydrophobicContact CG1-CE1 4.48Å; I86-F108 HydrophobicContact CG2-CD1 4.05Å; I86-F108 HydrophobicContact CG2-CE1 4.16Å; I86-I109 PolarHBondContact O-N 3.38Å
87	C	86.4	Confident	85.9	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.9	177.7	-78.6	0	0	0	0	111.6	T37 T38 I109 C119	T37-C87 WeakPolarHBondContact CA-O 3.49Å; T38-C87 PolarHBondContact N-O 3.31Å; C87-I109 WeakPolarHBondContact CA-O 3.47Å; C87-C119 HydrophobicContact CB-CB 3.62Å; C87-C119 WeakPolarHBondContact CB-SG 3.33Å; C87-C119 WeakPolarHBondContact SG-CA 3.45Å; C87-C119 WeakPolarHBondContact SG-CB 3.43Å; C87-C119 CovalentContact SG-SG 2.03Å; C87-C119 PolarHBondContact SG-SG 3.4Å
88	L	88.9	Confident	86	Confident	13 Å²	13	48.3 Å²	48.3	7%	0.068	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.8	-179.7	-62.7	178.3	0	0	0	110	L32 T35 L36 T37 I86 F108 I109 V110 S111	L32-L88 HydrophobicContact CD1-CD1 3.69Å; L32-L88 HydrophobicContact CD1-CD2 4.36Å; T35-L88 HydrophobicContact CG2-CB 3.73Å; T35-L88 HydrophobicContact CG2-CD1 4.35Å; T35-L88 HydrophobicContact CG2-CD2 3.87Å; T35-L88 HydrophobicContact CG2-CG 4.19Å; L36-L88 CarbonylContact O-C 3.5Å; T37-L88 WeakPolarHBondContact OG1-CD2 3.29Å; I86-L88 HydrophobicContact CG2-CD2 4.06Å; I86-L88 HydrophobicContact CG2-CG 4.5Å; L88-F108 HydrophobicContact CD1-CB 4.3Å; L88-F108 HydrophobicContact CD1-CD1 4.14Å; L88-F108 HydrophobicContact CG-CD1 4.47Å; L88-I109 PolarHBondContact N-O 3.07Å; L88-V110 CarbonylContact O-C 3.58Å; L88-V110 WeakPolarHBondContact O-CA 3.14Å; L88-S111 WeakPolarHBondContact O-CB 3.25Å; L88-S111 PolarHBondContact O-N 3.49Å
89	E	88.4	Confident	86	Confident	74 Å²	74	48.4 Å²	48.4	35%	0.346	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141.2	172.4	-76.3	-179.2	176.6	0	0	110.3	T35 L36 T38 K91	T35-E89 CarbonylContact C-O 3.57Å; T35-E89 VanDerWaalsContact CA-O 3.25Å; T35-E89 WeakPolarHBondContact CA-O 3.39Å; L36-E89 PolarHBondContact N-O 2.86Å; L36-E89 PolarHBondContact O-N 3.49Å; T38-E89 HydrophobicContact CG2-CG 3.83Å; T38-E89 WeakPolarHBondContact CG2-OE1 3.46Å; T38-E89 WeakPolarHBondContact CG2-OE2 3.5Å; E89-K91 PolarHBondContact O-N 3.13Å
90	K	89	Confident	85.4	Confident	156 Å²	156	55.1 Å²	55.1	68%	0.678	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	120.2	169.7	-71.2	-63.3	-177	-171.2	0	109.4	N34 T35	N34-K90 WeakPolarHBondContact O-CA 3.3Å; N34-K90 WeakPolarHBondContact O-CD 3.39Å; T35-K90 PolarHBondContact OG1-NZ 3.37Å
91	K	87.9	Confident	84.8	Confident	89 Å²	89	58.7 Å²	58.7	39%	0.387	28%	0.279	S	S	.	.			trans	-145.7	114.1	-179.6	-165.2	176.5	-174.9	173.4	0	110.4	N34 L36 E89 G93 W94	N34-K91 CarbonylContact C-O 3.52Å; N34-K91 VanDerWaalsContact CA-O 3.31Å; N34-K91 WeakPolarHBondContact CA-O 2.97Å; N34-K91 PolarHBondContact O-N 2.99Å; L36-K91 HydrophobicContact CB-CB 4.03Å; L36-K91 HydrophobicContact CB-CD 4.12Å; L36-K91 HydrophobicContact CD2-CD 3.55Å; L36-K91 HydrophobicContact CG-CD 4.38Å; E89-K91 PolarHBondContact O-N 3.13Å; K91-G93 PolarHBondContact O-N 2.96Å; K91-W94 HydrophobicContact CB-CB 4.24Å; K91-W94 HydrophobicContact CB-CG 4.44Å; K91-W94 HydrophobicContact CD-CB 4.48Å; K91-W94 VanDerWaalsContact CD-CD1 3.43Å; K91-W94 HydrophobicContact CD-CD2 4.45Å; K91-W94 HydrophobicContact CD-CG 3.86Å; K91-W94 HydrophobicContact CG-CB 4.44Å; K91-W94 HydrophobicContact CG-CG 4.14Å; K91-W94 PolarHBondContact O-N 2.79Å
92	S	87.4	Confident	84.3	Confident	107 Å²	107	57.8 Å²	57.8	75%	0.748	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	135.9	-176.5	-171.2	0	0	0	0	112	W94	S92-W94 PolarHBondContact O-N 2.86Å
93	G	87.6	Confident	84.3	Confident	27 Å²	27	60.7 Å²	60.7	28%	0.278	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-10.8	-179.5	0	0	0	0	0	115.2	N34 Y68 K91	N34-G93 PolarHBondContact OD1-N 3.39Å; Y68-G93 VanDerWaalsContact CD2-C 3.48Å; Y68-G93 WeakPolarHBondContact CD2-O 3.11Å; K91-G93 PolarHBondContact O-N 2.96Å
94	W	89.7	Confident	84.2	Confident	30 Å²	30	62.8 Å²	62.8	11%	0.114	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.1	171.8	-73.2	78.3	0	0	0	110.1	N34 T35 L36 N66 F67 Y68 N76 K91 S92	N34-W94 CarbonylContact C-O 3.55Å; N34-W94 VanDerWaalsContact C-O 3.26Å; N34-W94 WeakPolarHBondContact CA-O 3.48Å; N34-W94 PolarHBondContact N-O 2.98Å; T35-W94 PolarHBondContact N-O 3.33Å; T35-W94 CarbonylContact O-C 3.57Å; L36-W94 HydrophobicContact CB-CB 4.28Å; L36-W94 HydrophobicContact CD1-CD2 3.86Å; L36-W94 HydrophobicContact CD1-CE3 3.47Å; L36-W94 VanDerWaalsContact CD1-CE3 3.47Å; L36-W94 HydrophobicContact CD1-CG 4.36Å; L36-W94 HydrophobicContact CD1-CZ3 3.97Å; N66-W94 HydrophobicContact CB-CE3 4.15Å; N66-W94 HydrophobicContact CB-CZ3 4.18Å; F67-W94 CarbonylContact O-C 3.18Å; F67-W94 WeakPolarHBondContact O-CA 3.31Å; Y68-W94 AromaticContact CD2-CD1 3.52Å; Y68-W94 HydrophobicContact CD2-CD2 4.08Å; Y68-W94 AromaticContact CD2-CE2 3.83Å; Y68-W94 AromaticContact CD2-CG 3.95Å; Y68-W94 HydrophobicContact CD2-CG 3.95Å; Y68-W94 AromaticContact CD2-NE1 3.45Å; Y68-W94 HydrophobicContact CG-CD2 4.17Å; Y68-W94 AromaticContact CG-CE2 3.81Å; Y68-W94 HydrophobicContact CG-CZ2 4.07Å; Y68-W94 AromaticContact CG-NE1 3.88Å; N76-W94 HydrophobicContact CB-CH2 3.96Å; N76-W94 HydrophobicContact CB-CZ3 4.5Å; K91-W94 HydrophobicContact CB-CB 4.24Å; K91-W94 HydrophobicContact CB-CG 4.44Å; K91-W94 HydrophobicContact CD-CB 4.48Å; K91-W94 VanDerWaalsContact CD-CD1 3.43Å; K91-W94 HydrophobicContact CD-CD2 4.45Å; K91-W94 HydrophobicContact CD-CG 3.86Å; K91-W94 HydrophobicContact CG-CB 4.44Å; K91-W94 HydrophobicContact CG-CG 4.14Å; K91-W94 PolarHBondContact O-N 2.79Å; S92-W94 PolarHBondContact O-N 2.86Å
95	N	92.1	Very high	84.3	Confident	30 Å²	30	62.9 Å²	62.9	16%	0.16	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.6	178.4	-67.7	-34.2	0	0	0	108.8	L31 N33 N34 T35 F67 Y97	L31-N95 HydrophobicContact CD1-CB 3.75Å; N33-N95 WeakPolarHBondContact CA-OD1 3.39Å; N33-N95 PolarHBondContact OD1-OD1 3.26Å; N34-N95 PolarHBondContact N-OD1 3Å; T35-N95 CarbonylContact O-C 3.28Å; F67-N95 PolarHBondContact N-O 3.38Å; F67-N95 PolarHBondContact O-N 2.83Å; N95-Y97 HydrophobicContact CB-CD2 4.34Å; N95-Y97 HydrophobicContact CB-CE2 3.59Å
96	H	91.7	Very high	84.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.9	176.1	-178.5	84.6	0	0	0	109	L32 T35 T37 A64 I65 N66	L32-H96 HydrophobicContact CB-CB 4.24Å; L32-H96 PolarHBondContact N-O 3.47Å; L32-H96 PolarHBondContact O-N 3.18Å; T35-H96 PolarHBondContact O-N 3.23Å; T37-H96 PolarHBondContact OG1-CE1 2.84Å; T37-H96 PolarHBondContact OG1-ND1 3.41Å; T37-H96 VanDerWaalsContact OG1-ND1 3.13Å; A64-H96 WeakPolarHBondContact CB-CE1 3.5Å; A64-H96 WeakPolarHBondContact CB-NE2 3.3Å; I65-H96 CarbonylContact O-C 3.58Å; I65-H96 WeakPolarHBondContact O-CA 3.42Å; N66-H96 PolarHBondContact OD1-ND1 3.33Å
97	Y	92.6	Very high	84.3	Confident	29 Å²	29	67.2 Å²	67.2	11%	0.114	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.4	178	-61.7	-106.4	0	0	0	108.5	T30 L31 L49 L53 A64 I65 F67 N95	T30-Y97 CarbonylContact O-C 3.53Å; T30-Y97 WeakPolarHBondContact O-CA 2.96Å; L31-Y97 HydrophobicContact CB-CD1 4.31Å; L31-Y97 HydrophobicContact CB-CE1 4.26Å; L31-Y97 HydrophobicContact CD1-CD1 4.12Å; L31-Y97 HydrophobicContact CD1-CD2 4.32Å; L31-Y97 HydrophobicContact CD1-CE1 3.72Å; L31-Y97 HydrophobicContact CD1-CE2 3.91Å; L31-Y97 HydrophobicContact CD1-CG 4.4Å; L31-Y97 HydrophobicContact CD2-CE1 4.37Å; L31-Y97 HydrophobicContact CG-CE1 4.34Å; L49-Y97 HydrophobicContact CD1-CD1 4.44Å; L49-Y97 HydrophobicContact CD1-CD2 4.05Å; L49-Y97 HydrophobicContact CD1-CE1 4.02Å; L49-Y97 HydrophobicContact CD1-CE2 3.61Å; L49-Y97 HydrophobicContact CD1-CG 4.46Å; L49-Y97 HydrophobicContact CD2-CE1 3.92Å; L49-Y97 WeakPolarHBondContact CD2-OH 2.91Å; L53-Y97 HydrophobicContact CD2-CD1 4.24Å; L53-Y97 HydrophobicContact CD2-CG 4.1Å; A64-Y97 CarbonylContact C-O 3.51Å; A64-Y97 WeakPolarHBondContact CA-O 3.25Å; A64-Y97 WeakPolarHBondContact CB-O 3.28Å; I65-Y97 HydrophobicContact CD1-CD2 4.08Å; I65-Y97 HydrophobicContact CD1-CG 4.34Å; I65-Y97 HydrophobicContact CG1-CD2 3.95Å; I65-Y97 HydrophobicContact CG1-CG 4.13Å; I65-Y97 PolarHBondContact N-O 3.24Å; I65-Y97 PolarHBondContact O-N 3.04Å; F67-Y97 HydrophobicContact CB-CD2 4.17Å; F67-Y97 HydrophobicContact CB-CE2 3.83Å; N95-Y97 HydrophobicContact CB-CD2 4.34Å; N95-Y97 HydrophobicContact CB-CE2 3.59Å
98	L	91.2	Very high	84.1	Confident	24 Å²	24	71 Å²	71	13%	0.126	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.1	178.2	177.8	65.7	0	0	0	110.1	A29 T30 A64 F108	A29-L98 CarbonylContact C-O 3.59Å; A29-L98 VanDerWaalsContact CA-O 3.26Å; A29-L98 WeakPolarHBondContact CA-O 3.18Å; T30-L98 PolarHBondContact N-O 2.97Å; T30-L98 PolarHBondContact O-N 2.78Å; A64-L98 HydrophobicContact CB-CD1 4.28Å; L98-F108 HydrophobicContact CD1-CE1 4.02Å; L98-F108 HydrophobicContact CD1-CZ 3.63Å; L98-F108 HydrophobicContact CD2-CE1 4.16Å; L98-F108 HydrophobicContact CD2-CE2 4.08Å; L98-F108 HydrophobicContact CD2-CZ 3.46Å; L98-F108 VanDerWaalsContact CD2-CZ 3.46Å; L98-F108 HydrophobicContact CG-CZ 4.18Å
99	I	89.1	Confident	83.9	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	35%	0.353	C	S	.	.			trans	-108.6	91.6	177.3	-64	166.3	0	0	0	108	C25 A29 L53 C56 L63 I65 K101	C25-I99 WeakPolarHBondContact SG-CG2 3.47Å; A29-I99 HydrophobicContact CB-CG1 3.98Å; L53-I99 HydrophobicContact CD2-CD1 3.79Å; L53-I99 HydrophobicContact CD2-CG1 4.31Å; C56-I99 HydrophobicContact CB-CD1 3.49Å; C56-I99 VanDerWaalsContact CB-CD1 3.49Å; C56-I99 WeakPolarHBondContact SG-CD1 3.43Å; L63-I99 CarbonylContact O-C 3.57Å; L63-I99 VanDerWaalsContact O-C 3.28Å; L63-I99 VanDerWaalsContact O-CA 3.31Å; L63-I99 WeakPolarHBondContact O-CA 3.15Å; L63-I99 PolarHBondContact O-N 2.95Å; I65-I99 HydrophobicContact CG2-CD1 4.49Å; I99-K101 HydrophobicContact CG2-CG 4.02Å; I99-K101 PolarHBondContact O-N 2.78Å; I99-K101 VanDerWaalsContact O-N 3.17Å
100	R	75.9	Confident	83.7	Confident	143 Å²	143	71.7 Å²	71.7	54%	0.54	36%	0.361	S	S	.	.			trans	-80.3	102.1	-179	-167.1	172.4	-172.4	166.2	0	110.6	S102 D103	R100-S102 VanDerWaalsContact CG-O 3.27Å; R100-S102 WeakPolarHBondContact CG-O 3.47Å; R100-S102 PolarHBondContact NE-O 3.42Å; R100-D103 PolarHBondContact NH2-O 2.03Å
101	K	76.1	Confident	83.5	Confident	77 Å²	77	65.8 Å²	65.8	34%	0.335	34%	0.339	S	S	.	.			trans	-95.3	-14.5	174.1	-56.3	-173.3	-171.2	-177.2	0	114.3	C56 C57 Q59 I99	C56-K101 PolarHBondContact O-NZ 3.03Å; C57-K101 VanDerWaalsContact CA-NZ 3.32Å; C57-K101 PolarHBondContact O-NZ 2.91Å; Q59-K101 PolarHBondContact O-NZ 3.16Å; I99-K101 HydrophobicContact CG2-CG 4.02Å; I99-K101 PolarHBondContact O-N 2.78Å; I99-K101 VanDerWaalsContact O-N 3.17Å
102	S	72.3	Confident	83.3	Confident	50 Å²	50	63.6 Å²	63.6	35%	0.35	34%	0.335	S	S	.	.			trans	-133.7	146.1	-174.8	-174.7	0	0	0	0	110.6	R100 R104	R100-S102 VanDerWaalsContact CG-O 3.27Å; R100-S102 WeakPolarHBondContact CG-O 3.47Å; R100-S102 PolarHBondContact NE-O 3.42Å; S102-R104 PolarHBondContact O-N 2.76Å; S102-R104 WeakPolarHBondContact OG-CG 3.41Å; S102-R104 PolarHBondContact OG-N 2.94Å
103	D	74.2	Confident	83.1	Confident	148 Å²	148	64.8 Å²	64.8	79%	0.791	34%	0.341	S	S	*	.			trans	-77	-3.9	174.6	-62.5	-42.6	0	0	0	113	R100	R100-D103 PolarHBondContact NH2-O 2.03Å
104	R	74.1	Confident	82.9	Confident	155 Å²	155	72.3 Å²	72.3	59%	0.585	37%	0.366	S	S	*	.	S	Bend	trans	-51	136.6	175.5	-74.1	178.9	-174.3	-168.5	3.2	110.7	S102 I106	S102-R104 PolarHBondContact O-N 2.76Å; S102-R104 WeakPolarHBondContact OG-CG 3.41Å; S102-R104 PolarHBondContact OG-N 2.94Å; R104-I106 PolarHBondContact O-N 2.83Å
105	P	76.3	Confident	82.5	Confident	112 Å²	112	72.5 Å²	72.5	73%	0.727	37%	0.37	S	S	*	.			trans	-64.3	133	175.5	27.4	-33	0	0	0	109.2
106	I	76.6	Confident	81.8	Confident	27 Å²	27	72.7 Å²	72.7	14%	0.138	38%	0.376	C	S	.	.			trans	-122.9	123.1	171.8	-62.5	160.1	0	0	0	105.5	L63 Y82 I86 R104 F108	L63-I106 HydrophobicContact CD1-CD1 3.73Å; L63-I106 HydrophobicContact CD1-CG1 4.37Å; L63-I106 HydrophobicContact CD2-CD1 4.08Å; Y82-I106 HydrophobicContact CE2-CG1 4.25Å; I86-I106 HydrophobicContact CB-CG2 4.42Å; I86-I106 HydrophobicContact CD1-CG2 3.65Å; I86-I106 HydrophobicContact CG1-CG2 3.81Å; R104-I106 PolarHBondContact O-N 2.83Å; I106-F108 HydrophobicContact CB-CE2 3.92Å; I106-F108 HydrophobicContact CB-CZ 4.14Å; I106-F108 HydrophobicContact CG2-CD2 4.3Å; I106-F108 HydrophobicContact CG2-CE1 4.13Å; I106-F108 HydrophobicContact CG2-CE2 3.74Å; I106-F108 HydrophobicContact CG2-CZ 3.64Å; I106-F108 WeakPolarHBondContact O-CD2 3.31Å
107	E	82.5	Confident	81.3	Confident	116 Å²	116	79.1 Å²	79.1	54%	0.542	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.2	175.4	-169.7	179.3	-166.8	0	0	109.5	N84 T85 I86 I109	N84-E107 PolarHBondContact O-N 2.74Å; T85-E107 WeakPolarHBondContact CA-O 3.41Å; I86-E107 PolarHBondContact N-O 3.31Å; E107-I109 HydrophobicContact CG-CG1 4.18Å
108	F	82.8	Confident	80.6	Confident	82 Å²	82	82.1 Å²	82.1	36%	0.36	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.2	175.5	-65.3	-87	0	0	0	109.5	I86 L88 L98 I106	I86-F108 HydrophobicContact CB-CD1 3.95Å; I86-F108 HydrophobicContact CB-CE1 4.1Å; I86-F108 HydrophobicContact CD1-CE1 3.86Å; I86-F108 HydrophobicContact CD1-CZ 4.36Å; I86-F108 HydrophobicContact CG1-CE1 4.48Å; I86-F108 HydrophobicContact CG2-CD1 4.05Å; I86-F108 HydrophobicContact CG2-CE1 4.16Å; L88-F108 HydrophobicContact CD1-CB 4.3Å; L88-F108 HydrophobicContact CD1-CD1 4.14Å; L88-F108 HydrophobicContact CG-CD1 4.47Å; L98-F108 HydrophobicContact CD1-CE1 4.02Å; L98-F108 HydrophobicContact CD1-CZ 3.63Å; L98-F108 HydrophobicContact CD2-CE1 4.16Å; L98-F108 HydrophobicContact CD2-CE2 4.08Å; L98-F108 HydrophobicContact CD2-CZ 3.46Å; L98-F108 VanDerWaalsContact CD2-CZ 3.46Å; L98-F108 HydrophobicContact CG-CZ 4.18Å; I106-F108 HydrophobicContact CB-CE2 3.92Å; I106-F108 HydrophobicContact CB-CZ 4.14Å; I106-F108 HydrophobicContact CG2-CD2 4.3Å; I106-F108 HydrophobicContact CG2-CE1 4.13Å; I106-F108 HydrophobicContact CG2-CE2 3.74Å; I106-F108 HydrophobicContact CG2-CZ 3.64Å; I106-F108 WeakPolarHBondContact O-CD2 3.31Å
109	I	84.5	Confident	79.9	Confident	16 Å²	16	81.4 Å²	81.4	8%	0.082	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124	177.9	-58	-177.1	0	0	0	108.4	T85 I86 C87 L88 E107 S111 T115 L118	T85-I109 HydrophobicContact CG2-CB 4.49Å; T85-I109 HydrophobicContact CG2-CD1 3.38Å; T85-I109 HydrophobicContact CG2-CG1 3.79Å; I86-I109 PolarHBondContact O-N 3.38Å; C87-I109 WeakPolarHBondContact CA-O 3.47Å; L88-I109 PolarHBondContact N-O 3.07Å; E107-I109 HydrophobicContact CG-CG1 4.18Å; I109-S111 PolarHBondContact O-N 2.93Å; I109-T115 HydrophobicContact CG2-CG2 4.3Å; I109-L118 HydrophobicContact CD1-CB 3.91Å; I109-L118 HydrophobicContact CD1-CD1 3.98Å
110	V	85.2	Confident	78.9	Confident	87 Å²	87	85.6 Å²	85.6	53%	0.527	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.3	168.6	-177.6	0	0	0	0	108	L88 S112 T115	L88-V110 CarbonylContact O-C 3.58Å; L88-V110 WeakPolarHBondContact O-CA 3.14Å; V110-S112 PolarHBondContact O-N 3.24Å; V110-T115 PolarHBondContact O-OG1 3.38Å
111	S	83.1	Confident	77.9	Confident	31 Å²	31	80.9 Å²	80.9	22%	0.217	45%	0.446	C	S	.	.			trans	-64.7	123.6	176.6	-174.6	0	0	0	0	109.6	L88 I109	L88-S111 WeakPolarHBondContact O-CB 3.25Å; L88-S111 PolarHBondContact O-N 3.49Å; I109-S111 PolarHBondContact O-N 2.93Å
112	S	84.1	Confident	76.4	Confident	43 Å²	43	88.1 Å²	88.1	30%	0.301	47%	0.471	S	S	.	.			trans	-144.4	165.3	177	72.8	0	0	0	0	107.7	V110 K114 T115 A116	V110-S112 PolarHBondContact O-N 3.24Å; S112-K114 PolarHBondContact O-N 3.24Å; S112-K114 PolarHBondContact OG-N 2.83Å; S112-T115 PolarHBondContact N-OG1 3.49Å; S112-T115 CarbonylContact O-C 3.6Å; S112-T115 PolarHBondContact O-N 3.35Å; S112-T115 PolarHBondContact O-OG1 2.92Å; S112-T115 PolarHBondContact OG-N 3.21Å; S112-T115 PolarHBondContact OG-OG1 2.83Å; S112-A116 WeakPolarHBondContact O-CB 3.48Å; S112-A116 PolarHBondContact O-N 3.05Å
113	P	83	Confident	74.7	Confident	133 Å²	133	94 Å²	94	86%	0.864	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32	175.4	-28.4	36	0	0	0	113.7
114	K	84.3	Confident	72.7	Confident	184 Å²	184	94.4 Å²	94.4	80%	0.8	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-32.6	177.9	-64.4	-177	179.5	-179.3	0	113.3	S112 H117	S112-K114 PolarHBondContact O-N 3.24Å; S112-K114 PolarHBondContact OG-N 2.83Å; K114-H117 PolarHBondContact O-CE1 3.08Å; K114-H117 PolarHBondContact O-ND1 2.93Å
115	T	81.7	Confident	70.8	Confident	34 Å²	34	99.4 Å²	99.4	21%	0.209	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-3.8	-174.6	50.9	0	0	0	0	113.5	I109 V110 S112 H117 L118 C119	I109-T115 HydrophobicContact CG2-CG2 4.3Å; V110-T115 PolarHBondContact O-OG1 3.38Å; S112-T115 PolarHBondContact N-OG1 3.49Å; S112-T115 CarbonylContact O-C 3.6Å; S112-T115 PolarHBondContact O-N 3.35Å; S112-T115 PolarHBondContact O-OG1 2.92Å; S112-T115 PolarHBondContact OG-N 3.21Å; S112-T115 PolarHBondContact OG-OG1 2.83Å; T115-H117 PolarHBondContact O-N 3.26Å; T115-H117 VanDerWaalsContact O-N 3.15Å; T115-L118 HydrophobicContact CG2-CD1 4.39Å; T115-L118 WeakPolarHBondContact O-CB 3.44Å; T115-L118 PolarHBondContact O-N 3.04Å; T115-C119 PolarHBondContact O-N 2.81Å
116	A	77.6	Confident	70.5	Confident	35 Å²	35	98.8 Å²	98.8	29%	0.289	52%	0.519	S	S	.	.	H	α-helix	trans	-54.1	-38.3	-177.3	0	0	0	0	0	112.6	S112 L118 C119 S120	S112-A116 WeakPolarHBondContact O-CB 3.48Å; S112-A116 PolarHBondContact O-N 3.05Å; A116-L118 PolarHBondContact O-N 3.15Å; A116-C119 CarbonylContact O-C 3.26Å; A116-C119 WeakPolarHBondContact O-CA 3.41Å; A116-C119 PolarHBondContact O-N 3.02Å; A116-S120 PolarHBondContact O-N 3.35Å; A116-S120 PolarHBondContact O-OG 2.9Å
117	H	80.4	Confident	70.2	Confident	135 Å²	135	102.5 Å²	102.5	63%	0.625	54%	0.539	S	S	*	.	H	α-helix	trans	-61	-29.2	177.4	69.5	-82.8	0	0	0	113.9	K114 T115 C119	K114-H117 PolarHBondContact O-CE1 3.08Å; K114-H117 PolarHBondContact O-ND1 2.93Å; T115-H117 PolarHBondContact O-N 3.26Å; T115-H117 VanDerWaalsContact O-N 3.15Å; H117-C119 VanDerWaalsContact C-N 3.33Å
118	L	78.1	Confident	69.5	Low	91 Å²	91	101.8 Å²	101.8	48%	0.476	54%	0.539	S	S	.	.	H	α-helix	trans	-74.7	-29.6	173.9	-55.8	173.8	0	0	0	111.2	I109 T115 A116	I109-L118 HydrophobicContact CD1-CB 3.91Å; I109-L118 HydrophobicContact CD1-CD1 3.98Å; T115-L118 HydrophobicContact CG2-CD1 4.39Å; T115-L118 WeakPolarHBondContact O-CB 3.44Å; T115-L118 PolarHBondContact O-N 3.04Å; A116-L118 PolarHBondContact O-N 3.15Å
119	C	75.9	Confident	68.8	Low	10 Å²	10	102.9 Å²	102.9	7%	0.068	55%	0.549	C	S	.	.	H	α-helix	trans	-88.5	-21.2	-178	-70.7	0	0	0	0	114.7	Y39 C87 T115 A116 H117 G121	Y39-C119 PolarHBondContact OH-O 2.85Å; C87-C119 HydrophobicContact CB-CB 3.62Å; C87-C119 WeakPolarHBondContact CB-SG 3.33Å; C87-C119 WeakPolarHBondContact SG-CA 3.45Å; C87-C119 WeakPolarHBondContact SG-CB 3.43Å; C87-C119 CovalentContact SG-SG 2.03Å; C87-C119 PolarHBondContact SG-SG 3.4Å; T115-C119 PolarHBondContact O-N 2.81Å; A116-C119 CarbonylContact O-C 3.26Å; A116-C119 WeakPolarHBondContact O-CA 3.41Å; A116-C119 PolarHBondContact O-N 3.02Å; H117-C119 VanDerWaalsContact C-N 3.33Å; C119-G121 PolarHBondContact O-N 2.95Å; C119-G121 VanDerWaalsContact O-N 3.16Å
120	S	67.4	Low	67.8	Low	89 Å²	89	108.4 Å²	108.4	62%	0.622	58%	0.578	S	S	*	*	S	Bend	trans	-75.3	5.4	-179.4	-61.5	0	0	0	0	114.6	A116 R122	A116-S120 PolarHBondContact O-N 3.35Å; A116-S120 PolarHBondContact O-OG 2.9Å; S120-R122 PolarHBondContact O-N 2.83Å
121	G	56.6	Low	66.6	Low	44 Å²	44	109.8 Å²	109.8	45%	0.454	58%	0.582	S	S	.	*			trans	43.2	70.8	166.7	0	0	0	0	0	113.4	C119 L123	C119-G121 PolarHBondContact O-N 2.95Å; C119-G121 VanDerWaalsContact O-N 3.16Å; G121-L123 PolarHBondContact O-N 2.73Å
122	R	43.6	Very low	65.4	Low	229 Å²	229	115.4 Å²	115.4	86%	0.864	61%	0.608	S	S	*	*			trans	-50.1	118.3	148.4	-89.6	-176.7	-172.7	168.8	2.9	105.4	S120 L124	S120-R122 PolarHBondContact O-N 2.83Å; R122-L124 PolarHBondContact O-N 3.4Å
123	L	37	Very low	64	Low	174 Å²	174	121 Å²	121	91%	0.911	63%	0.631	S	S	*	*			trans	-44.5	86.2	147.3	-73.5	148.6	0	0	0	107	G121 Q125	G121-L123 PolarHBondContact O-N 2.73Å; L123-Q125 PolarHBondContact O-N 3.3Å; L123-Q125 VanDerWaalsContact O-N 3.13Å
124	L	32.9	Very low	62.4	Low	155 Å²	155	120 Å²	120	81%	0.812	61%	0.612	S	S	*	*			trans	-75.5	95.6	155.8	-78.4	167.4	0	0	0	103.5	R122	R122-L124 PolarHBondContact O-N 3.4Å
125	Q	33.5	Very low	60.4	Low	260 Å²	260	114.2 Å²	114.2	100%	1.215	60%	0.595	S	S	*	*			trans	16	0	157.9	-72.5	173.4	-30.3	0	0	116.9	L123	L123-Q125 PolarHBondContact O-N 3.3Å; L123-Q125 VanDerWaalsContact O-N 3.13Å

Retrieved 125 of 125 residues in 205.2 ms (Link to these results)

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