A0A5K4F7V3_SCHMA Loading...

Apple domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F7V3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	55.5	Low	235 Å²	235	132.9 Å²	132.9	100%	1.158	66%	0.664	S	S	*	*				0	0.3	0	-137.3	158.8	139.6	0	0	114.4
2	H	41.8	Very low	56.8	Low	170 Å²	170	128 Å²	128	79%	0.787	65%	0.646	S	S	*	*			trans	-82.9	-24.1	-175.3	-85.5	131.8	0	0	0	116.9	K4	H2-K4 PolarHBondContact O-N 2.99Å
3	C	46.8	Very low	58	Low	102 Å²	102	122.7 Å²	122.7	69%	0.689	62%	0.624	S	S	*	*	H	α-helix	trans	-74.3	-29	-172.9	-150.5	0	0	0	0	113.8
4	K	47.2	Very low	58.9	Low	187 Å²	187	121.7 Å²	121.7	81%	0.813	62%	0.62	S	S	*	*	H	α-helix	trans	-71.6	-33.4	178.8	-73	-174.9	178.6	179.1	0	113.1	H2 S8	H2-K4 PolarHBondContact O-N 2.99Å; K4-S8 PolarHBondContact O-N 3.46Å
5	L	48.4	Very low	59.4	Low	133 Å²	133	118.3 Å²	118.3	70%	0.696	60%	0.603	S	S	*	*	H	α-helix	trans	-70.2	-41.1	-177.5	-147.9	83.8	0	0	0	111.1	S8 F9	L5-S8 PolarHBondContact O-N 3.29Å; L5-F9 PolarHBondContact O-N 3.48Å
6	H	50.5	Low	59.9	Low	130 Å²	130	114.1 Å²	114.1	60%	0.602	59%	0.587	S	S	*	*	H	α-helix	trans	-66.5	-41	-179	-143.3	-83	0	0	0	112.2	F9 I10	H6-F9 PolarHBondContact O-N 3.01Å; H6-I10 VanDerWaalsContact O-CG1 3.3Å; H6-I10 WeakPolarHBondContact O-CG1 3.3Å; H6-I10 PolarHBondContact O-N 3.05Å
7	H	56.7	Low	60.4	Low	124 Å²	124	112.6 Å²	112.6	57%	0.574	58%	0.58	S	S	*	*	H	α-helix	trans	-64.8	-41.3	173.8	-90.1	51	0	0	0	112.2	F9 I11	H7-F9 VanDerWaalsContact C-N 3.33Å; H7-F9 PolarHBondContact O-N 3.19Å; H7-I11 WeakPolarHBondContact O-CB 3.37Å; H7-I11 WeakPolarHBondContact O-CD1 3.16Å; H7-I11 WeakPolarHBondContact O-CG1 3.3Å; H7-I11 PolarHBondContact O-N 3.24Å
8	S	66.2	Low	60.3	Low	71 Å²	71	112.8 Å²	112.8	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-61.4	-42.9	176.1	-167	0	0	0	0	111.5	K4 L5 I11 T12	K4-S8 PolarHBondContact O-N 3.46Å; L5-S8 PolarHBondContact O-N 3.29Å; S8-I11 PolarHBondContact O-N 3.4Å; S8-T12 PolarHBondContact O-N 3.47Å; S8-T12 PolarHBondContact O-OG1 3.02Å
9	F	69.3	Low	60.2	Low	144 Å²	144	111.7 Å²	111.7	63%	0.632	57%	0.568	S	S	*	*	H	α-helix	trans	-65.4	-46.7	-179.8	-171.7	-100.9	0	0	0	112.2	L5 H6 H7 I11 T12 V13	L5-F9 PolarHBondContact O-N 3.48Å; H6-F9 PolarHBondContact O-N 3.01Å; H7-F9 VanDerWaalsContact C-N 3.33Å; H7-F9 PolarHBondContact O-N 3.19Å; F9-I11 VanDerWaalsContact C-N 3.33Å; F9-I11 PolarHBondContact O-N 3.37Å; F9-T12 PolarHBondContact O-N 2.96Å; F9-V13 HydrophobicContact CD1-CG2 4.18Å; F9-V13 HydrophobicContact CE1-CG2 3.86Å; F9-V13 HydrophobicContact CZ-CG2 4.06Å; F9-V13 WeakPolarHBondContact O-CG2 3.3Å; F9-V13 PolarHBondContact O-N 3.13Å
10	I	72.9	Confident	60.1	Low	79 Å²	79	113.6 Å²	113.6	41%	0.405	57%	0.572	S	S	.	*	H	α-helix	trans	-59.8	-44.3	177.3	-66.8	166.8	0	0	0	110.8	H6 T12 V13 L14	H6-I10 VanDerWaalsContact O-CG1 3.3Å; H6-I10 WeakPolarHBondContact O-CG1 3.3Å; H6-I10 PolarHBondContact O-N 3.05Å; I10-T12 PolarHBondContact O-N 3.48Å; I10-V13 PolarHBondContact O-N 2.88Å; I10-L14 HydrophobicContact CG2-CD1 3.98Å; I10-L14 HydrophobicContact CG2-CG 4.43Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.45Å; I10-L14 PolarHBondContact O-N 3.01Å
11	I	72.6	Confident	60	Low	87 Å²	87	112.8 Å²	112.8	45%	0.446	57%	0.57	S	S	.	*	H	α-helix	trans	-62.4	-44.5	178.5	-67.7	165	0	0	0	110.7	H7 S8 F9 L14 I15	H7-I11 WeakPolarHBondContact O-CB 3.37Å; H7-I11 WeakPolarHBondContact O-CD1 3.16Å; H7-I11 WeakPolarHBondContact O-CG1 3.3Å; H7-I11 PolarHBondContact O-N 3.24Å; S8-I11 PolarHBondContact O-N 3.4Å; F9-I11 VanDerWaalsContact C-N 3.33Å; F9-I11 PolarHBondContact O-N 3.37Å; I11-L14 PolarHBondContact O-N 3.41Å; I11-I15 HydrophobicContact CG2-CD1 3.73Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.34Å; I11-I15 PolarHBondContact O-N 3.42Å
12	T	71	Confident	60.9	Low	74 Å²	74	102.4 Å²	102.4	45%	0.454	52%	0.52	S	S	.	.	H	α-helix	trans	-62.3	-44.4	178.3	-59.9	0	0	0	0	111.7	S8 F9 I10 L14 I15 S16	S8-T12 PolarHBondContact O-N 3.47Å; S8-T12 PolarHBondContact O-OG1 3.02Å; F9-T12 PolarHBondContact O-N 2.96Å; I10-T12 PolarHBondContact O-N 3.48Å; T12-L14 PolarHBondContact O-N 3.06Å; T12-I15 PolarHBondContact O-N 3.21Å; T12-S16 PolarHBondContact O-N 3.44Å; T12-S16 PolarHBondContact O-OG 2.87Å; T12-S16 VanDerWaalsContact O-OG 3.13Å
13	V	71.7	Confident	61.5	Low	59 Å²	59	99.1 Å²	99.1	36%	0.358	51%	0.508	S	S	.	.	H	α-helix	trans	-61.2	-44.5	177.6	172	0	0	0	0	111.3	F9 I10 I15 S16 I17	F9-V13 HydrophobicContact CD1-CG2 4.18Å; F9-V13 HydrophobicContact CE1-CG2 3.86Å; F9-V13 HydrophobicContact CZ-CG2 4.06Å; F9-V13 WeakPolarHBondContact O-CG2 3.3Å; F9-V13 PolarHBondContact O-N 3.13Å; I10-V13 PolarHBondContact O-N 2.88Å; V13-I15 VanDerWaalsContact C-N 3.34Å; V13-I15 PolarHBondContact O-N 2.87Å; V13-S16 PolarHBondContact O-N 3.47Å; V13-I17 HydrophobicContact CG1-CD1 3.76Å; V13-I17 HydrophobicContact CG1-CG1 4.38Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.31Å; V13-I17 PolarHBondContact O-N 3.31Å
14	L	71.2	Confident	61.6	Low	109 Å²	109	99.8 Å²	99.8	57%	0.571	50%	0.5	S	S	*	.	H	α-helix	trans	-62.7	-39.9	177.3	-70.4	172.5	0	0	0	112.3	I10 I11 T12 Y18	I10-L14 HydrophobicContact CG2-CD1 3.98Å; I10-L14 HydrophobicContact CG2-CG 4.43Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.45Å; I10-L14 PolarHBondContact O-N 3.01Å; I11-L14 PolarHBondContact O-N 3.41Å; T12-L14 PolarHBondContact O-N 3.06Å; L14-Y18 WeakPolarHBondContact O-CB 3.5Å; L14-Y18 PolarHBondContact O-N 3.24Å; L14-Y18 VanDerWaalsContact O-N 3.07Å
15	I	67	Low	61.8	Low	70 Å²	70	93.3 Å²	93.3	36%	0.359	48%	0.477	S	S	.	.	H	α-helix	trans	-64.6	-44.4	174.5	-67.5	165.9	0	0	0	110.2	I11 T12 V13 Y18 L19	I11-I15 HydrophobicContact CG2-CD1 3.73Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.34Å; I11-I15 PolarHBondContact O-N 3.42Å; T12-I15 PolarHBondContact O-N 3.21Å; V13-I15 VanDerWaalsContact C-N 3.34Å; V13-I15 PolarHBondContact O-N 2.87Å; I15-Y18 PolarHBondContact O-N 3.26Å; I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 HydrophobicContact CG2-CG 4.23Å; I15-L19 WeakPolarHBondContact O-CB 3.31Å; I15-L19 VanDerWaalsContact O-CG 3.28Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3Å
16	S	67.6	Low	61.9	Low	51 Å²	51	90.8 Å²	90.8	36%	0.357	46%	0.462	S	S	.	.	H	α-helix	trans	-61.2	-47.6	178.6	-67.3	0	0	0	0	111.9	T12 V13 Y18 L19 F20	T12-S16 PolarHBondContact O-N 3.44Å; T12-S16 PolarHBondContact O-OG 2.87Å; T12-S16 VanDerWaalsContact O-OG 3.13Å; V13-S16 PolarHBondContact O-N 3.47Å; S16-Y18 VanDerWaalsContact C-N 3.32Å; S16-Y18 PolarHBondContact O-N 3.38Å; S16-L19 PolarHBondContact O-N 2.9Å; S16-F20 WeakPolarHBondContact O-CB 3.26Å; S16-F20 VanDerWaalsContact O-CD2 3.3Å; S16-F20 WeakPolarHBondContact O-CD2 3.24Å; S16-F20 PolarHBondContact O-N 3.07Å
17	I	67.2	Low	61.5	Low	90 Å²	90	88.7 Å²	88.7	46%	0.462	46%	0.458	S	S	.	.	H	α-helix	trans	-57.4	-47.3	176.3	-66.3	165.5	0	0	0	110	V13 L19 F20 D21	V13-I17 HydrophobicContact CG1-CD1 3.76Å; V13-I17 HydrophobicContact CG1-CG1 4.38Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.31Å; V13-I17 PolarHBondContact O-N 3.31Å; I17-L19 PolarHBondContact O-N 2.81Å; I17-F20 WeakPolarHBondContact O-CB 3.28Å; I17-F20 PolarHBondContact O-N 3.17Å; I17-D21 PolarHBondContact O-N 3.05Å
18	Y	58.4	Low	61	Low	116 Å²	116	88.3 Å²	88.3	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-63.3	-39	179.2	-169.9	-99.1	0	0	0	113.1	L14 I15 S16 C22 K135	L14-Y18 WeakPolarHBondContact O-CB 3.5Å; L14-Y18 PolarHBondContact O-N 3.24Å; L14-Y18 VanDerWaalsContact O-N 3.07Å; I15-Y18 PolarHBondContact O-N 3.26Å; S16-Y18 VanDerWaalsContact C-N 3.32Å; S16-Y18 PolarHBondContact O-N 3.38Å; Y18-C22 WeakPolarHBondContact O-CB 3.41Å; Y18-C22 PolarHBondContact O-N 2.91Å; Y18-K135 HydrophobicContact CE1-CB 4.34Å
19	L	58.6	Low	60.3	Low	91 Å²	91	85.9 Å²	85.9	48%	0.476	44%	0.441	S	S	.	.	H	α-helix	trans	-66.2	-39.8	174.7	-72.8	173.2	0	0	0	111.7	I15 S16 I17 C22 L23	I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 HydrophobicContact CG2-CG 4.23Å; I15-L19 WeakPolarHBondContact O-CB 3.31Å; I15-L19 VanDerWaalsContact O-CG 3.28Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3Å; S16-L19 PolarHBondContact O-N 2.9Å; I17-L19 PolarHBondContact O-N 2.81Å; L19-C22 WeakPolarHBondContact O-CB 3.28Å; L19-C22 PolarHBondContact O-N 3.24Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 PolarHBondContact O-N 3.32Å
20	F	59.1	Low	59.5	Low	149 Å²	149	82.5 Å²	82.5	65%	0.654	43%	0.433	S	S	*	.	H	α-helix	trans	-62.7	-48.5	175.4	-95.8	-76.1	0	0	0	111.5	S16 I17 C22 L23 H24	S16-F20 WeakPolarHBondContact O-CB 3.26Å; S16-F20 VanDerWaalsContact O-CD2 3.3Å; S16-F20 WeakPolarHBondContact O-CD2 3.24Å; S16-F20 PolarHBondContact O-N 3.07Å; I17-F20 WeakPolarHBondContact O-CB 3.28Å; I17-F20 PolarHBondContact O-N 3.17Å; F20-C22 PolarHBondContact O-N 3.36Å; F20-L23 PolarHBondContact O-N 2.83Å; F20-H24 VanDerWaalsContact O-CB 3.24Å; F20-H24 WeakPolarHBondContact O-CB 3.46Å; F20-H24 PolarHBondContact O-N 3.4Å
21	D	57.9	Low	58.6	Low	97 Å²	97	86.1 Å²	86.1	52%	0.519	45%	0.453	S	S	.	.	H	α-helix	trans	-58.4	-41.5	176.5	-68.8	-24.9	0	0	0	110.7	I17 H24 T25	I17-D21 PolarHBondContact O-N 3.05Å; D21-H24 PolarHBondContact O-N 3.09Å; D21-T25 PolarHBondContact O-N 2.9Å; D21-T25 PolarHBondContact O-OG1 3.35Å
22	C	57.1	Low	58.7	Low	18 Å²	18	88.2 Å²	88.2	12%	0.122	47%	0.465	C	S	.	.	H	α-helix	trans	-64.6	-47.1	177.2	-127.1	0	0	0	0	113.7	Y18 L19 F20 H24 T25 Q26 C134	Y18-C22 WeakPolarHBondContact O-CB 3.41Å; Y18-C22 PolarHBondContact O-N 2.91Å; L19-C22 WeakPolarHBondContact O-CB 3.28Å; L19-C22 PolarHBondContact O-N 3.24Å; F20-C22 PolarHBondContact O-N 3.36Å; C22-H24 VanDerWaalsContact C-N 3.29Å; C22-T25 PolarHBondContact O-N 3.23Å; C22-Q26 PolarHBondContact O-N 2.9Å; C22-C134 VanDerWaalsContact C-SG 3.59Å; C22-C134 WeakPolarHBondContact CA-SG 3.24Å; C22-C134 HydrophobicContact CB-CB 4.21Å; C22-C134 WeakPolarHBondContact CB-SG 3.38Å; C22-C134 PolarHBondContact O-SG 3.47Å; C22-C134 WeakPolarHBondContact SG-CA 3.46Å; C22-C134 WeakPolarHBondContact SG-CB 3.45Å; C22-C134 CovalentContact SG-SG 2.03Å; C22-C134 PolarHBondContact SG-SG 2.74Å
23	L	53.6	Low	59.2	Low	100 Å²	100	87.9 Å²	87.9	52%	0.524	46%	0.457	S	S	.	.	H	α-helix	trans	-63.7	-42.3	178.4	-173.3	64.3	0	0	0	109.5	L19 F20 T25 Q26 T27	L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 PolarHBondContact O-N 3.32Å; F20-L23 PolarHBondContact O-N 2.83Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.39Å; L23-Q26 CarbonylContact O-C 3.56Å; L23-Q26 PolarHBondContact O-N 3.34Å; L23-T27 HydrophobicContact CG-CG2 4.37Å; L23-T27 WeakPolarHBondContact O-CG2 3.33Å; L23-T27 PolarHBondContact O-N 2.84Å; L23-T27 PolarHBondContact O-OG1 3.35Å
24	H	50	Low	59.9	Low	116 Å²	116	89.2 Å²	89.2	54%	0.537	47%	0.466	S	S	.	.	H	α-helix	trans	-61.2	-40.9	177.4	-171.2	-91.1	0	0	0	112.4	F20 D21 C22 T27 N28	F20-H24 VanDerWaalsContact O-CB 3.24Å; F20-H24 WeakPolarHBondContact O-CB 3.46Å; F20-H24 PolarHBondContact O-N 3.4Å; D21-H24 PolarHBondContact O-N 3.09Å; C22-H24 VanDerWaalsContact C-N 3.29Å; H24-T27 VanDerWaalsContact CA-OG1 3.29Å; H24-T27 WeakPolarHBondContact CA-OG1 3.36Å; H24-T27 PolarHBondContact O-N 3.42Å; H24-T27 PolarHBondContact O-OG1 3.31Å; H24-N28 PolarHBondContact CE1-ND2 3.49Å; H24-N28 PolarHBondContact ND1-ND2 3.28Å; H24-N28 PolarHBondContact O-N 2.94Å; H24-N28 VanDerWaalsContact O-N 3.12Å; H24-N28 PolarHBondContact O-ND2 2.86Å
25	T	50.3	Low	60.6	Low	51 Å²	51	88.4 Å²	88.4	31%	0.313	46%	0.461	S	S	.	.	H	α-helix	trans	-67.8	-38.3	176.8	-35.2	0	0	0	0	110.9	D21 C22 L23 L29 E113	D21-T25 PolarHBondContact O-N 2.9Å; D21-T25 PolarHBondContact O-OG1 3.35Å; C22-T25 PolarHBondContact O-N 3.23Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.39Å; T25-L29 PolarHBondContact O-N 3.1Å; T25-E113 HydrophobicContact CG2-CG 4.31Å
26	Q	50.5	Low	61.6	Low	81 Å²	81	88.1 Å²	88.1	38%	0.379	46%	0.46	S	S	.	.	H	α-helix	trans	-67.7	-40	173.7	-80.4	-177.6	73.8	0	0	112.6	C22 L23 N28 L29 C134	C22-Q26 PolarHBondContact O-N 2.9Å; L23-Q26 CarbonylContact O-C 3.56Å; L23-Q26 PolarHBondContact O-N 3.34Å; Q26-N28 VanDerWaalsContact C-N 3.33Å; Q26-N28 PolarHBondContact O-N 3.39Å; Q26-L29 CarbonylContact O-C 3.38Å; Q26-L29 PolarHBondContact O-N 2.97Å; Q26-L29 VanDerWaalsContact O-N 3.15Å; Q26-C134 PolarHBondContact NE2-SG 2.85Å
27	T	42.7	Very low	62.5	Low	85 Å²	85	86.7 Å²	86.7	52%	0.521	45%	0.451	S	S	.	.	H	α-helix	trans	-68.8	-31.5	-179.8	50.4	0	0	0	0	112.7	L23 H24 L29	L23-T27 HydrophobicContact CG-CG2 4.37Å; L23-T27 WeakPolarHBondContact O-CG2 3.33Å; L23-T27 PolarHBondContact O-N 2.84Å; L23-T27 PolarHBondContact O-OG1 3.35Å; H24-T27 VanDerWaalsContact CA-OG1 3.29Å; H24-T27 WeakPolarHBondContact CA-OG1 3.36Å; H24-T27 PolarHBondContact O-N 3.42Å; H24-T27 PolarHBondContact O-OG1 3.31Å; T27-L29 PolarHBondContact O-N 2.75Å
28	N	46.1	Very low	63.4	Low	116 Å²	116	85.8 Å²	85.8	62%	0.62	45%	0.452	S	S	*	.	H	α-helix	trans	-69.3	-24.7	173.5	-81.2	-30.6	0	0	0	112.5	H24 Q26 T30	H24-N28 PolarHBondContact CE1-ND2 3.49Å; H24-N28 PolarHBondContact ND1-ND2 3.28Å; H24-N28 PolarHBondContact O-N 2.94Å; H24-N28 VanDerWaalsContact O-N 3.12Å; H24-N28 PolarHBondContact O-ND2 2.86Å; Q26-N28 VanDerWaalsContact C-N 3.33Å; Q26-N28 PolarHBondContact O-N 3.39Å; N28-T30 PolarHBondContact O-N 2.8Å
29	L	51.6	Low	64.6	Low	21 Å²	21	83 Å²	83	11%	0.11	45%	0.449	C	S	.	.	S	Bend	trans	-87.7	89.9	167.8	-65.3	166.7	0	0	0	108	T25 Q26 T27 F33 I57 I59 M112 V131	T25-L29 PolarHBondContact O-N 3.1Å; Q26-L29 CarbonylContact O-C 3.38Å; Q26-L29 PolarHBondContact O-N 2.97Å; Q26-L29 VanDerWaalsContact O-N 3.15Å; T27-L29 PolarHBondContact O-N 2.75Å; L29-F33 HydrophobicContact CB-CD1 4.42Å; L29-I57 HydrophobicContact CD1-CD1 4.05Å; L29-I57 HydrophobicContact CD2-CD1 3.8Å; L29-I57 HydrophobicContact CG-CD1 4.43Å; L29-I59 HydrophobicContact CD2-CD1 4.17Å; L29-M112 HydrophobicContact CD2-CG 3.82Å; L29-V131 HydrophobicContact CD1-CB 4.12Å; L29-V131 HydrophobicContact CD1-CG1 3.75Å; L29-V131 HydrophobicContact CD1-CG2 4.39Å; L29-V131 HydrophobicContact CD2-CG1 4.19Å
30	T	52.1	Low	65.9	Low	73 Å²	73	86.5 Å²	86.5	45%	0.448	46%	0.456	S	S	.	.			trans	-37	141.9	177.2	51.9	0	0	0	0	113	N28 N32	N28-T30 PolarHBondContact O-N 2.8Å; T30-N32 PolarHBondContact O-N 3.48Å
31	N	55.4	Low	67	Low	155 Å²	155	86.4 Å²	86.4	83%	0.829	46%	0.455	S	S	*	.	S	Bend	trans	-51.5	-4.9	-177.3	-68.3	-22.6	0	0	0	116.7	F33	N31-F33 PolarHBondContact O-N 2.96Å
32	N	73.8	Confident	68.2	Low	130 Å²	130	82.2 Å²	82.2	70%	0.695	43%	0.433	S	S	*	.			trans	-98.6	42.4	-177.8	-61.4	-30.8	0	0	0	112.5	T30	T30-N32 PolarHBondContact O-N 3.48Å
33	F	82	Confident	69	Low	67 Å²	67	86.1 Å²	86.1	29%	0.294	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.8	172.1	72.9	-97	0	0	0	111.6	L29 N31 I57 S58 I59	L29-F33 HydrophobicContact CB-CD1 4.42Å; N31-F33 PolarHBondContact O-N 2.96Å; F33-I57 HydrophobicContact CB-CB 4.5Å; F33-I57 HydrophobicContact CB-CD1 4.24Å; F33-I57 HydrophobicContact CD2-CB 4.11Å; F33-I57 HydrophobicContact CD2-CG2 3.78Å; F33-I57 HydrophobicContact CE2-CG2 4.14Å; F33-I57 HydrophobicContact CG-CD1 4.38Å; F33-S58 CarbonylContact C-O 3.57Å; F33-S58 WeakPolarHBondContact CA-O 3.18Å; F33-S58 WeakPolarHBondContact CB-O 3.47Å; F33-I59 HydrophobicContact CB-CD1 4.47Å; F33-I59 HydrophobicContact CB-CG1 3.82Å
34	T	86	Confident	69.9	Low	87 Å²	87	86.3 Å²	86.3	53%	0.534	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133	171.7	-61.7	0	0	0	0	109.4	L36 I57 S58	T34-L36 HydrophobicContact CG2-CD2 4.41Å; T34-I57 CarbonylContact O-C 3.53Å; T34-I57 WeakPolarHBondContact O-CA 3.05Å; T34-S58 PolarHBondContact N-O 2.81Å; T34-S58 PolarHBondContact O-N 3.15Å
35	L	85.8	Confident	71	Confident	92 Å²	92	81.1 Å²	81.1	48%	0.482	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123	173.1	-169.5	80.4	0	0	0	110.1	S37 Q55 I57	L35-S37 WeakPolarHBondContact CD1-O 3.1Å; L35-S37 WeakPolarHBondContact CG-O 3.44Å; L35-Q55 HydrophobicContact CD1-CB 4.39Å; L35-Q55 VanDerWaalsContact CD1-CD 3.49Å; L35-Q55 HydrophobicContact CD1-CG 4.17Å; L35-I57 HydrophobicContact CD1-CG2 4.3Å
36	L	88	Confident	71.4	Confident	64 Å²	64	83.1 Å²	83.1	34%	0.335	45%	0.452	S	S	.	.			trans	-100.6	-18.1	179	-59.3	178.3	0	0	0	113.2	T34 W56 L83 Y95	T34-L36 HydrophobicContact CG2-CD2 4.41Å; L36-W56 HydrophobicContact CB-CB 4Å; L36-W56 PolarHBondContact N-O 3.46Å; L36-L83 HydrophobicContact CB-CD2 4.03Å; L36-L83 HydrophobicContact CD1-CD1 4.44Å; L36-L83 HydrophobicContact CD1-CD2 4.29Å; L36-Y95 WeakPolarHBondContact CD1-OH 3.16Å
37	S	86.1	Confident	72.2	Confident	22 Å²	22	84.8 Å²	84.8	15%	0.154	47%	0.468	C	S	.	.	S	Bend	trans	-151	152.1	179.5	74.3	0	0	0	0	112	L35 W56	L35-S37 WeakPolarHBondContact CD1-O 3.1Å; L35-S37 WeakPolarHBondContact CG-O 3.44Å; S37-W56 PolarHBondContact N-O 3.44Å; S37-W56 PolarHBondContact OG-N 2.93Å
38	S	85.5	Confident	73.6	Confident	70 Å²	70	84.8 Å²	84.8	49%	0.49	46%	0.464	S	S	.	.			trans	-64.9	157.3	166.1	60.8	0	0	0	0	112.4	R40	S38-R40 PolarHBondContact O-N 2.93Å
39	C	85.1	Confident	75	Confident	58 Å²	58	79.6 Å²	79.6	39%	0.392	44%	0.436	S	S	.	.			trans	-62.7	121.6	175.4	-177.7	0	0	0	0	112.1	C133	C39-C133 WeakPolarHBondContact CA-SG 3.13Å; C39-C133 HydrophobicContact CB-CB 3.97Å; C39-C133 WeakPolarHBondContact CB-SG 3.33Å; C39-C133 WeakPolarHBondContact SG-CB 3.25Å; C39-C133 CovalentContact SG-SG 2.02Å; C39-C133 PolarHBondContact SG-SG 2.9Å
40	R	84.5	Confident	76.2	Confident	164 Å²	164	87.9 Å²	87.9	62%	0.619	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131	151.2	-179.5	-67.5	-176.1	-176.5	-153.6	0.8	111.6	S38 C42 Y53 T54	S38-R40 PolarHBondContact O-N 2.93Å; R40-C42 PolarHBondContact O-N 3.16Å; R40-Y53 WeakPolarHBondContact O-CA 3.08Å; R40-T54 PolarHBondContact N-O 3.46Å; R40-T54 PolarHBondContact O-N 2.67Å
41	K	83.6	Confident	77.4	Confident	148 Å²	148	85.4 Å²	85.4	64%	0.643	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	131.8	172.2	-170.8	179	-179.5	-177.2	0	108.9	N52 Y53	K41-N52 CarbonylContact C-O 3.59Å; K41-N52 WeakPolarHBondContact CA-O 3.03Å; K41-Y53 HydrophobicContact CB-CD1 4.25Å; K41-Y53 HydrophobicContact CB-CE1 3.93Å
42	C	81.8	Confident	78.7	Confident	9 Å²	9	81.5 Å²	81.5	6%	0.061	44%	0.438	C	S	.	.			trans	-118.3	100.1	175.9	178.3	0	0	0	0	109.2	R40 T44 C45 N52 T54 R130	R40-C42 PolarHBondContact O-N 3.16Å; C42-T44 VanDerWaalsContact C-N 3.25Å; C42-T44 PolarHBondContact O-N 3.46Å; C42-C45 HydrophobicContact CB-CB 3.63Å; C42-C45 WeakPolarHBondContact CB-SG 3.44Å; C42-C45 PolarHBondContact O-N 3.4Å; C42-C45 WeakPolarHBondContact SG-CB 3.23Å; C42-C45 PolarHBondContact SG-N 3.18Å; C42-C45 CovalentContact SG-SG 2.03Å; C42-C45 PolarHBondContact SG-SG 3.03Å; C42-N52 PolarHBondContact N-O 2.03Å; C42-T54 HydrophobicContact CB-CG2 4.12Å; C42-T54 WeakPolarHBondContact CB-OG1 3.49Å; C42-R130 PolarHBondContact SG-NH1 3.3Å
43	S	75.3	Confident	79.2	Confident	99 Å²	99	78.2 Å²	78.2	69%	0.692	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-28.5	-178.9	46.5	0	0	0	0	113.4
44	T	72.8	Confident	79.4	Confident	104 Å²	104	75.5 Å²	75.5	64%	0.638	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-6	-178.2	55.7	0	0	0	0	113.8	C42 T47	C42-T44 VanDerWaalsContact C-N 3.25Å; C42-T44 PolarHBondContact O-N 3.46Å; T44-T47 PolarHBondContact O-OG1 2.78Å
45	C	71.8	Confident	79.6	Confident	7 Å²	7	73.3 Å²	73.3	5%	0.047	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-78.7	-20.2	-175.9	-71.3	0	0	0	0	113.5	C42 T47 N48 M49 T54 R130	C42-C45 HydrophobicContact CB-CB 3.63Å; C42-C45 WeakPolarHBondContact CB-SG 3.44Å; C42-C45 PolarHBondContact O-N 3.4Å; C42-C45 WeakPolarHBondContact SG-CB 3.23Å; C42-C45 PolarHBondContact SG-N 3.18Å; C42-C45 CovalentContact SG-SG 2.03Å; C42-C45 PolarHBondContact SG-SG 3.03Å; C45-T47 PolarHBondContact O-N 3.44Å; C45-N48 PolarHBondContact O-N 3.43Å; C45-M49 HydrophobicContact CB-CB 4.28Å; C45-M49 HydrophobicContact CB-CG 4.43Å; C45-M49 HydrophobicContact CB-SD 4.33Å; C45-M49 PolarHBondContact O-N 3.36Å; C45-T54 HydrophobicContact CB-CG2 4.23Å; C45-R130 VanDerWaalsContact SG-CD 3.6Å; C45-R130 PolarHBondContact SG-NH1 2.03Å
46	N	59.7	Low	79.9	Confident	94 Å²	94	69.4 Å²	69.4	50%	0.503	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-59.7	-17.5	-172.9	-70.9	2.6	0	0	0	114.6	N52	N46-N52 PolarHBondContact ND2-OD1 3.28Å; N46-N52 VanDerWaalsContact ND2-OD1 3.08Å; N46-N52 PolarHBondContact OD1-OD1 3.48Å
47	T	67.5	Low	80	Confident	116 Å²	116	66.4 Å²	66.4	71%	0.712	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-80	-23.6	177.6	52.2	0	0	0	0	113.6	T44 C45	T44-T47 PolarHBondContact O-OG1 2.78Å; C45-T47 PolarHBondContact O-N 3.44Å
48	N	70.4	Confident	80.2	Confident	85 Å²	85	66 Å²	66	46%	0.455	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-28.7	-170.8	-69.2	-78.7	0	0	0	113.8	C45 K93 L111	C45-N48 PolarHBondContact O-N 3.43Å; N48-K93 PolarHBondContact ND2-NZ 2.91Å; N48-K93 PolarHBondContact OD1-NZ 3.45Å; N48-L111 VanDerWaalsContact O-CD1 3.25Å; N48-L111 WeakPolarHBondContact O-CD1 3.4Å
49	M	75.6	Confident	80.5	Confident	7 Å²	7	63.1 Å²	63.1	3%	0.034	33%	0.329	C	S	.	.	S	Bend	trans	-107.8	139.9	177.9	-56.8	-174.6	86.5	0	0	109.3	C45 C51 T54 L111 R130	C45-M49 HydrophobicContact CB-CB 4.28Å; C45-M49 HydrophobicContact CB-CG 4.43Å; C45-M49 HydrophobicContact CB-SD 4.33Å; C45-M49 PolarHBondContact O-N 3.36Å; M49-C51 PolarHBondContact O-N 3.28Å; M49-T54 HydrophobicContact CE-CG2 4.27Å; M49-T54 HydrophobicContact SD-CG2 3.69Å; M49-L111 HydrophobicContact CE-CD2 4.02Å; M49-L111 HydrophobicContact CG-CD1 3.85Å; M49-L111 HydrophobicContact CG-CD2 3.58Å; M49-L111 HydrophobicContact CG-CG 4.4Å; M49-L111 HydrophobicContact SD-CD2 3.88Å; M49-R130 HydrophobicContact CE-CG 4.17Å; M49-R130 WeakPolarHBondContact CE-O 3.25Å; M49-R130 HydrophobicContact SD-CB 4.45Å; M49-R130 HydrophobicContact SD-CG 3.87Å
50	H	77.9	Confident	80.7	Confident	195 Å²	195	64.1 Å²	64.1	90%	0.903	34%	0.337	S	S	*	.	S	Bend	trans	-75.5	24.7	177.9	-64	-72.1	0	0	0	113.3
51	C	77.7	Confident	80.9	Confident	20 Å²	20	56.5 Å²	56.5	14%	0.135	31%	0.309	C	S	.	.			trans	-145.5	144	-173.8	62	0	0	0	0	113	M49 Y53 C132	M49-C51 PolarHBondContact O-N 3.28Å; C51-Y53 PolarHBondContact SG-O 3.12Å; C51-C132 HydrophobicContact CB-CB 3.64Å; C51-C132 WeakPolarHBondContact CB-SG 3.38Å; C51-C132 WeakPolarHBondContact SG-CA 3.46Å; C51-C132 WeakPolarHBondContact SG-CB 3.14Å; C51-C132 CovalentContact SG-SG 2.02Å; C51-C132 PolarHBondContact SG-SG 2.9Å
52	N	82.4	Confident	81.3	Confident	73 Å²	73	50.7 Å²	50.7	39%	0.39	29%	0.285	S	S	.	.	S	Bend	trans	-85	-12.9	176.6	-74.3	-71.7	0	0	0	113.2	K41 C42 N46	K41-N52 CarbonylContact C-O 3.59Å; K41-N52 WeakPolarHBondContact CA-O 3.03Å; C42-N52 PolarHBondContact N-O 2.03Å; N46-N52 PolarHBondContact ND2-OD1 3.28Å; N46-N52 VanDerWaalsContact ND2-OD1 3.08Å; N46-N52 PolarHBondContact OD1-OD1 3.48Å
53	Y	84.5	Confident	81.7	Confident	62 Å²	62	50.5 Å²	50.5	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.6	-174.3	-74.6	-94.5	0	0	0	108.5	R40 K41 C51 C133 K135	R40-Y53 WeakPolarHBondContact O-CA 3.08Å; K41-Y53 HydrophobicContact CB-CD1 4.25Å; K41-Y53 HydrophobicContact CB-CE1 3.93Å; C51-Y53 PolarHBondContact SG-O 3.12Å; Y53-C133 PolarHBondContact O-N 2.89Å; Y53-K135 VanDerWaalsContact CE2-CE 3.48Å
54	T	86.8	Confident	82.4	Confident	9 Å²	9	50.5 Å²	50.5	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.2	-174.3	62.6	0	0	0	0	110.9	R40 C42 C45 M49 R130 V131 C133	R40-T54 PolarHBondContact N-O 3.46Å; R40-T54 PolarHBondContact O-N 2.67Å; C42-T54 HydrophobicContact CB-CG2 4.12Å; C42-T54 WeakPolarHBondContact CB-OG1 3.49Å; C45-T54 HydrophobicContact CB-CG2 4.23Å; M49-T54 HydrophobicContact CE-CG2 4.27Å; M49-T54 HydrophobicContact SD-CG2 3.69Å; T54-R130 HydrophobicContact CG2-CG 4.05Å; T54-R130 WeakPolarHBondContact OG1-CD 3.39Å; T54-V131 CarbonylContact C-O 3.59Å; T54-V131 WeakPolarHBondContact CA-O 3.47Å; T54-V131 WeakPolarHBondContact CB-O 3.46Å; T54-C133 VanDerWaalsContact CA-SG 3.51Å; T54-C133 PolarHBondContact N-SG 3.06Å; T54-C133 PolarHBondContact O-SG 3.15Å
55	Q	88.9	Confident	83.3	Confident	41 Å²	41	51.1 Å²	51.1	19%	0.192	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.3	171.6	62.1	-172.1	14.9	0	0	110	L35 I57 R130 V131	L35-Q55 HydrophobicContact CD1-CB 4.39Å; L35-Q55 VanDerWaalsContact CD1-CD 3.49Å; L35-Q55 HydrophobicContact CD1-CG 4.17Å; Q55-I57 HydrophobicContact CG-CG2 4.5Å; Q55-R130 WeakPolarHBondContact O-CA 3.29Å; Q55-V131 HydrophobicContact CG-CG2 3.72Å; Q55-V131 PolarHBondContact N-O 3.28Å; Q55-V131 PolarHBondContact O-N 2.95Å
56	W	91.7	Very high	84.3	Confident	10 Å²	10	54.2 Å²	54.2	4%	0.038	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.5	172.2	-68.6	91.4	0	0	0	109.8	L36 S37 L83 C86 R87 Y95 G129 R130	L36-W56 HydrophobicContact CB-CB 4Å; L36-W56 PolarHBondContact N-O 3.46Å; S37-W56 PolarHBondContact N-O 3.44Å; S37-W56 PolarHBondContact OG-N 2.93Å; W56-L83 HydrophobicContact CB-CD1 3.88Å; W56-L83 HydrophobicContact CD2-CD1 3.46Å; W56-L83 VanDerWaalsContact CD2-CD1 3.46Å; W56-L83 HydrophobicContact CE3-CD1 3.62Å; W56-L83 HydrophobicContact CG-CD1 3.59Å; W56-L83 HydrophobicContact CZ3-CD1 4.32Å; W56-C86 HydrophobicContact CH2-CB 4.43Å; W56-C86 VanDerWaalsContact CH2-SG 3.54Å; W56-R87 HydrophobicContact CZ2-CG 3.69Å; W56-Y95 HydrophobicContact CE3-CE1 4.18Å; W56-Y95 HydrophobicContact CZ3-CD1 4.18Å; W56-Y95 HydrophobicContact CZ3-CE1 4.12Å; W56-G129 WeakPolarHBondContact CA-O 3.36Å; W56-G129 VanDerWaalsContact CE3-C 3.4Å; W56-R130 HydrophobicContact CD2-CB 4.32Å; W56-R130 HydrophobicContact CE3-CB 4.3Å; W56-R130 HydrophobicContact CH2-CB 4.33Å; W56-R130 HydrophobicContact CZ2-CB 4.38Å; W56-R130 VanDerWaalsContact CZ2-NH2 3.31Å; W56-R130 HydrophobicContact CZ3-CB 4.29Å
57	I	90.8	Very high	85.8	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	163.3	173.1	63	166.7	0	0	0	109.7	L29 F33 T34 L35 Q55 I59 M112 G128 G129 V131	L29-I57 HydrophobicContact CD1-CD1 4.05Å; L29-I57 HydrophobicContact CD2-CD1 3.8Å; L29-I57 HydrophobicContact CG-CD1 4.43Å; F33-I57 HydrophobicContact CB-CB 4.5Å; F33-I57 HydrophobicContact CB-CD1 4.24Å; F33-I57 HydrophobicContact CD2-CB 4.11Å; F33-I57 HydrophobicContact CD2-CG2 3.78Å; F33-I57 HydrophobicContact CE2-CG2 4.14Å; F33-I57 HydrophobicContact CG-CD1 4.38Å; T34-I57 CarbonylContact O-C 3.53Å; T34-I57 WeakPolarHBondContact O-CA 3.05Å; L35-I57 HydrophobicContact CD1-CG2 4.3Å; Q55-I57 HydrophobicContact CG-CG2 4.5Å; I57-I59 HydrophobicContact CD1-CD1 4.2Å; I57-I59 HydrophobicContact CD1-CG1 4.37Å; I57-M112 HydrophobicContact CD1-CG 4.48Å; I57-M112 HydrophobicContact CG1-CE 4.44Å; I57-G128 CarbonylContact O-C 3.6Å; I57-G128 WeakPolarHBondContact O-CA 3.08Å; I57-G129 PolarHBondContact N-O 2.9Å; I57-G129 PolarHBondContact O-N 2.89Å; I57-V131 HydrophobicContact CD1-CG1 3.64Å; I57-V131 HydrophobicContact CD1-CG2 4.2Å; I57-V131 HydrophobicContact CG1-CG1 3.93Å; I57-V131 HydrophobicContact CG1-CG2 4.17Å; I57-V131 HydrophobicContact CG2-CG2 3.91Å
58	S	91.2	Very high	87	Confident	15 Å²	15	45.6 Å²	45.6	11%	0.105	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.1	163.9	54.2	0	0	0	0	112.3	F33 T34 T127	F33-S58 CarbonylContact C-O 3.57Å; F33-S58 WeakPolarHBondContact CA-O 3.18Å; F33-S58 WeakPolarHBondContact CB-O 3.47Å; T34-S58 PolarHBondContact N-O 2.81Å; T34-S58 PolarHBondContact O-N 3.15Å; S58-T127 CarbonylContact C-O 3.5Å; S58-T127 VanDerWaalsContact CA-O 3.24Å; S58-T127 WeakPolarHBondContact CA-O 3.4Å
59	I	90	Very high	88.1	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.9	178.3	-54.7	177.7	0	0	0	107.5	L29 F33 I57 M112 I117 T127	L29-I59 HydrophobicContact CD2-CD1 4.17Å; F33-I59 HydrophobicContact CB-CD1 4.47Å; F33-I59 HydrophobicContact CB-CG1 3.82Å; I57-I59 HydrophobicContact CD1-CD1 4.2Å; I57-I59 HydrophobicContact CD1-CG1 4.37Å; I59-M112 HydrophobicContact CD1-CE 4.49Å; I59-M112 HydrophobicContact CD1-SD 4.2Å; I59-I117 HydrophobicContact CD1-CG1 4.43Å; I59-I117 HydrophobicContact CG2-CG2 4.09Å; I59-T127 PolarHBondContact N-O 3.46Å; I59-T127 PolarHBondContact O-N 3.47Å
60	S	89.1	Confident	89	Confident	80 Å²	80	52.7 Å²	52.7	56%	0.559	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	133.8	170.4	-65	0	0	0	0	110.7
61	G	90.2	Very high	89.9	Confident	3 Å²	3	47.1 Å²	47.1	3%	0.031	25%	0.249	C	C	.	.	S	Bend	trans	118.3	-175.4	-177.6	0	0	0	0	0	113.3	D118 Y125 T127	G61-D118 WeakPolarHBondContact CA-O 3.43Å; G61-Y125 PolarHBondContact N-O 2.81Å; G61-T127 PolarHBondContact O-OG1 3Å
62	L	90.7	Very high	90.8	Very high	27 Å²	27	53 Å²	53	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.6	177.8	-80.9	171.5	0	0	0	111.4	T96 I117 D118 Y125	L62-T96 HydrophobicContact CD2-CG2 3.69Å; L62-I117 CarbonylContact O-C 3.49Å; L62-I117 WeakPolarHBondContact O-CA 3.16Å; L62-D118 PolarHBondContact N-O 2.88Å; L62-D118 PolarHBondContact O-N 2.81Å; L62-Y125 HydrophobicContact CD1-CD1 4.31Å; L62-Y125 HydrophobicContact CD1-CD2 3.56Å; L62-Y125 HydrophobicContact CD1-CE2 3.97Å; L62-Y125 HydrophobicContact CD1-CG 3.75Å; L62-Y125 HydrophobicContact CD2-CD1 3.62Å; L62-Y125 HydrophobicContact CD2-CD2 4.31Å; L62-Y125 HydrophobicContact CD2-CE1 4.34Å; L62-Y125 HydrophobicContact CD2-CG 3.63Å; L62-Y125 HydrophobicContact CG-CD1 4.13Å; L62-Y125 HydrophobicContact CG-CD2 3.92Å; L62-Y125 HydrophobicContact CG-CG 3.59Å
63	P	90.2	Very high	91.5	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	147.9	160.5	-24.6	32.7	0	0	0	111.7	F67 L68 L94 T96 T115 T116 I117 T127	P63-F67 HydrophobicContact CB-CB 4.06Å; P63-F67 HydrophobicContact CB-CD1 3.51Å; P63-F67 HydrophobicContact CB-CE1 4.27Å; P63-F67 HydrophobicContact CB-CG 4.01Å; P63-F67 HydrophobicContact CG-CD1 3.95Å; P63-F67 HydrophobicContact CG-CE1 4.24Å; P63-L68 HydrophobicContact CB-CD2 3.64Å; P63-L68 HydrophobicContact CB-CG 4.05Å; P63-L68 HydrophobicContact CG-CD2 3.71Å; P63-L68 WeakPolarHBondContact O-CD1 3.14Å; P63-L68 WeakPolarHBondContact O-CG 2.83Å; P63-L94 HydrophobicContact CG-CD2 3.96Å; P63-T96 HydrophobicContact CG-CG2 4.17Å; P63-T115 WeakPolarHBondContact CB-OG1 3.44Å; P63-T116 WeakPolarHBondContact CA-O 3.2Å; P63-I117 HydrophobicContact CB-CD1 4.35Å; P63-I117 HydrophobicContact CG-CD1 3.94Å; P63-T127 VanDerWaalsContact CD-OG1 3.3Å; P63-T127 WeakPolarHBondContact CD-OG1 3.12Å; P63-T127 HydrophobicContact CG-CG2 4.04Å
64	M	90.4	Very high	92.1	Very high	100 Å²	100	52.5 Å²	52.5	49%	0.493	27%	0.266	S	S	.	.			trans	-51.4	147.3	168.1	-71.1	-174.8	75	0	0	111.6	S66 F67 L68 T116	M64-S66 PolarHBondContact O-N 3.35Å; M64-S66 VanDerWaalsContact O-N 3.11Å; M64-F67 WeakPolarHBondContact O-CB 3.32Å; M64-F67 PolarHBondContact O-N 3.28Å; M64-L68 PolarHBondContact O-N 2.96Å; M64-L68 VanDerWaalsContact O-N 3.14Å; M64-T116 HydrophobicContact CG-CG2 4.45Å; M64-T116 PolarHBondContact N-O 2.81Å; M64-T116 HydrophobicContact SD-CG2 4.25Å
65	Q	91.1	Very high	92.6	Very high	116 Å²	116	55.1 Å²	55.1	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-54.7	-36	-174.3	-173.8	60.6	27	0	0	113.9	L68 Q69	Q65-L68 WeakPolarHBondContact O-CB 3.36Å; Q65-L68 PolarHBondContact O-N 3.08Å; Q65-Q69 WeakPolarHBondContact O-CG 3.25Å; Q65-Q69 PolarHBondContact O-N 3.13Å
66	S	92.7	Very high	92.9	Very high	72 Å²	72	54.6 Å²	54.6	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-46.6	176.1	51.9	0	0	0	0	111.9	M64 L68 Q69 T70	M64-S66 PolarHBondContact O-N 3.35Å; M64-S66 VanDerWaalsContact O-N 3.11Å; S66-L68 VanDerWaalsContact C-N 3.33Å; S66-L68 PolarHBondContact O-N 3.49Å; S66-Q69 PolarHBondContact O-N 2.82Å; S66-T70 WeakPolarHBondContact O-CB 2.98Å; S66-T70 PolarHBondContact O-N 3.17Å; S66-T70 PolarHBondContact O-OG1 3.49Å
67	F	92.1	Very high	93.1	Very high	10 Å²	10	61.7 Å²	61.7	4%	0.044	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-45.2	175.2	-177.8	-81.8	0	0	0	111.1	P63 M64 Q69 T70 Y71 L94 Y108 T115	P63-F67 HydrophobicContact CB-CB 4.06Å; P63-F67 HydrophobicContact CB-CD1 3.51Å; P63-F67 HydrophobicContact CB-CE1 4.27Å; P63-F67 HydrophobicContact CB-CG 4.01Å; P63-F67 HydrophobicContact CG-CD1 3.95Å; P63-F67 HydrophobicContact CG-CE1 4.24Å; M64-F67 WeakPolarHBondContact O-CB 3.32Å; M64-F67 PolarHBondContact O-N 3.28Å; F67-Q69 VanDerWaalsContact C-N 3.25Å; F67-Q69 PolarHBondContact O-N 3.23Å; F67-T70 PolarHBondContact O-N 3.34Å; F67-Y71 HydrophobicContact CD1-CD2 4.27Å; F67-Y71 AromaticContact CD2-CD2 3.42Å; F67-Y71 HydrophobicContact CD2-CD2 3.42Å; F67-Y71 VanDerWaalsContact CD2-CD2 3.42Å; F67-Y71 AromaticContact CD2-CE2 3.67Å; F67-Y71 HydrophobicContact CD2-CE2 3.67Å; F67-Y71 HydrophobicContact CD2-CG 4.49Å; F67-Y71 HydrophobicContact CE1-CD2 4.32Å; F67-Y71 AromaticContact CE2-CD2 3.51Å; F67-Y71 HydrophobicContact CE2-CD2 3.51Å; F67-Y71 AromaticContact CE2-CE2 3.84Å; F67-Y71 HydrophobicContact CE2-CE2 3.84Å; F67-Y71 HydrophobicContact CE2-CG 4.24Å; F67-Y71 AromaticContact CG-CD2 3.84Å; F67-Y71 HydrophobicContact CG-CD2 3.84Å; F67-Y71 HydrophobicContact CG-CE2 4.43Å; F67-Y71 AromaticContact CZ-CD2 3.99Å; F67-Y71 HydrophobicContact CZ-CD2 3.99Å; F67-Y71 HydrophobicContact CZ-CG 4.34Å; F67-Y71 PolarHBondContact O-N 2.02Å; F67-Y71 VanDerWaalsContact O-N 3.08Å; F67-L94 HydrophobicContact CE1-CD1 4Å; F67-L94 HydrophobicContact CE1-CD2 4.05Å; F67-L94 HydrophobicContact CZ-CD1 3.93Å; F67-Y108 HydrophobicContact CE1-CD1 4.49Å; F67-Y108 HydrophobicContact CE1-CG 4.35Å; F67-T115 VanDerWaalsContact CD2-CB 3.43Å; F67-T115 HydrophobicContact CE2-CG2 4.4Å; F67-T115 WeakPolarHBondContact CG-OG1 3.24Å
68	L	92.1	Very high	93	Very high	19 Å²	19	63.1 Å²	63.1	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-57.8	-40.1	179.8	-61.9	179	0	0	0	111.4	P63 M64 Q65 S66 W72 Y108	P63-L68 HydrophobicContact CB-CD2 3.64Å; P63-L68 HydrophobicContact CB-CG 4.05Å; P63-L68 HydrophobicContact CG-CD2 3.71Å; P63-L68 WeakPolarHBondContact O-CD1 3.14Å; P63-L68 WeakPolarHBondContact O-CG 2.83Å; M64-L68 PolarHBondContact O-N 2.96Å; M64-L68 VanDerWaalsContact O-N 3.14Å; Q65-L68 WeakPolarHBondContact O-CB 3.36Å; Q65-L68 PolarHBondContact O-N 3.08Å; S66-L68 VanDerWaalsContact C-N 3.33Å; S66-L68 PolarHBondContact O-N 3.49Å; L68-W72 VanDerWaalsContact O-CB 3.23Å; L68-W72 WeakPolarHBondContact O-CB 3.32Å; L68-W72 PolarHBondContact O-N 2.9Å; L68-Y108 HydrophobicContact CB-CE1 4.19Å; L68-Y108 HydrophobicContact CD2-CE1 3.66Å; L68-Y108 HydrophobicContact CD2-CE2 4.25Å; L68-Y108 WeakPolarHBondContact CD2-OH 2.97Å; L68-Y108 WeakPolarHBondContact O-CE1 3.23Å
69	Q	93.5	Very high	92.8	Very high	139 Å²	139	72 Å²	72	65%	0.65	36%	0.36	S	S	*	.	H	α-helix	trans	-77.2	-41.3	-179.1	-71.3	173.9	-22.2	0	0	112.7	Q65 S66 F67	Q65-Q69 WeakPolarHBondContact O-CG 3.25Å; Q65-Q69 PolarHBondContact O-N 3.13Å; S66-Q69 PolarHBondContact O-N 2.82Å; F67-Q69 VanDerWaalsContact C-N 3.25Å; F67-Q69 PolarHBondContact O-N 3.23Å
70	T	96.1	Very high	92.6	Very high	102 Å²	102	74.9 Å²	74.9	63%	0.626	38%	0.381	S	S	*	.	H	α-helix	trans	-71.1	-36.7	-175.6	-58.5	0	0	0	0	113	S66 F67	S66-T70 WeakPolarHBondContact O-CB 2.98Å; S66-T70 PolarHBondContact O-N 3.17Å; S66-T70 PolarHBondContact O-OG1 3.49Å; F67-T70 PolarHBondContact O-N 3.34Å
71	Y	96	Very high	92.8	Very high	79 Å²	79	74.5 Å²	74.5	31%	0.31	37%	0.373	S	S	.	.	S	Bend	trans	-109.3	5.6	-170.9	-63.9	-72.1	0	0	0	114.2	F67 L73 Y108 S109	F67-Y71 HydrophobicContact CD1-CD2 4.27Å; F67-Y71 AromaticContact CD2-CD2 3.42Å; F67-Y71 HydrophobicContact CD2-CD2 3.42Å; F67-Y71 VanDerWaalsContact CD2-CD2 3.42Å; F67-Y71 AromaticContact CD2-CE2 3.67Å; F67-Y71 HydrophobicContact CD2-CE2 3.67Å; F67-Y71 HydrophobicContact CD2-CG 4.49Å; F67-Y71 HydrophobicContact CE1-CD2 4.32Å; F67-Y71 AromaticContact CE2-CD2 3.51Å; F67-Y71 HydrophobicContact CE2-CD2 3.51Å; F67-Y71 AromaticContact CE2-CE2 3.84Å; F67-Y71 HydrophobicContact CE2-CE2 3.84Å; F67-Y71 HydrophobicContact CE2-CG 4.24Å; F67-Y71 AromaticContact CG-CD2 3.84Å; F67-Y71 HydrophobicContact CG-CD2 3.84Å; F67-Y71 HydrophobicContact CG-CE2 4.43Å; F67-Y71 AromaticContact CZ-CD2 3.99Å; F67-Y71 HydrophobicContact CZ-CD2 3.99Å; F67-Y71 HydrophobicContact CZ-CG 4.34Å; F67-Y71 PolarHBondContact O-N 2.02Å; F67-Y71 VanDerWaalsContact O-N 3.08Å; Y71-L73 PolarHBondContact O-N 3.35Å; Y71-Y108 CarbonylContact O-C 3.48Å; Y71-Y108 WeakPolarHBondContact O-CA 3.49Å; Y71-S109 PolarHBondContact O-N 3.31Å; Y71-S109 PolarHBondContact O-OG 3.36Å
72	W	97.1	Very high	93	Very high	143 Å²	143	74.3 Å²	74.3	54%	0.542	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	132.6	179.6	178.3	73.9	0	0	0	111.6	L68 Y108	L68-W72 VanDerWaalsContact O-CB 3.23Å; L68-W72 WeakPolarHBondContact O-CB 3.32Å; L68-W72 PolarHBondContact O-N 2.9Å; W72-Y108 HydrophobicContact CB-CD1 4.29Å; W72-Y108 HydrophobicContact CB-CE1 4.17Å
73	L	96.8	Very high	93.2	Very high	42 Å²	42	73.7 Å²	73.7	22%	0.22	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-58.9	174.1	-69.5	172.9	0	0	0	110.7	Y71 Q91 C92 L107	Y71-L73 PolarHBondContact O-N 3.35Å; L73-Q91 HydrophobicContact CD1-CB 3.9Å; L73-Q91 HydrophobicContact CD2-CB 4.27Å; L73-C92 HydrophobicContact CD1-CB 4.34Å; L73-L107 HydrophobicContact CB-CB 4.39Å; L73-L107 WeakPolarHBondContact CB-O 3.48Å; L73-L107 PolarHBondContact N-O 3.38Å
74	K	96.7	Very high	93.4	Very high	83 Å²	83	77.4 Å²	77.4	36%	0.361	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	167.4	-179.2	62.8	175.1	-174.7	168.3	0	112	V76 L107	K74-V76 HydrophobicContact CD-CG2 4Å; K74-V76 VanDerWaalsContact CE-CG2 3.49Å; K74-V76 HydrophobicContact CG-CG2 4.17Å; K74-L107 HydrophobicContact CG-CD1 4.18Å; K74-L107 PolarHBondContact O-N 3.08Å
75	T	96.8	Very high	93.7	Very high	63 Å²	63	73.9 Å²	73.9	39%	0.387	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.4	166	-55.5	0	0	0	0	108.9	F104 C105 K106	T75-F104 HydrophobicContact CG2-CB 3.92Å; T75-F104 HydrophobicContact CG2-CD1 3.91Å; T75-F104 HydrophobicContact CG2-CG 4.26Å; T75-C105 CarbonylContact C-O 3.51Å; T75-C105 WeakPolarHBondContact CA-O 3.5Å; T75-K106 HydrophobicContact CG2-CG 4.31Å
76	V	95.9	Very high	93.9	Very high	30 Å²	30	68.3 Å²	68.3	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.1	177	-177.1	0	0	0	0	108.4	K74 T78 V85 F104 C105 L107	K74-V76 HydrophobicContact CD-CG2 4Å; K74-V76 VanDerWaalsContact CE-CG2 3.49Å; K74-V76 HydrophobicContact CG-CG2 4.17Å; V76-T78 HydrophobicContact CG1-CG2 3.96Å; V76-T78 PolarHBondContact O-N 2.98Å; V76-V85 HydrophobicContact CB-CG1 4.14Å; V76-V85 HydrophobicContact CG1-CG1 4.13Å; V76-V85 HydrophobicContact CG2-CG1 4.02Å; V76-F104 CarbonylContact O-C 3.52Å; V76-F104 WeakPolarHBondContact O-CA 3.45Å; V76-C105 HydrophobicContact CB-CB 4.44Å; V76-C105 PolarHBondContact N-O 3.03Å; V76-C105 PolarHBondContact O-N 3.14Å; V76-L107 HydrophobicContact CG2-CD1 4.07Å; V76-L107 HydrophobicContact CG2-CG 4.47Å
77	E	94.7	Very high	93.9	Very high	160 Å²	160	71.5 Å²	71.5	75%	0.748	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	115.4	169	-172.9	179.3	170.8	0	0	109	E103 F104	E77-E103 WeakPolarHBondContact CA-O 2.98Å; E77-F104 HydrophobicContact CB-CD1 4Å; E77-F104 HydrophobicContact CB-CE1 3.84Å; E77-F104 HydrophobicContact CG-CD1 4.25Å; E77-F104 HydrophobicContact CG-CE1 3.79Å; E77-F104 HydrophobicContact CG-CZ 4.41Å
78	T	89.9	Confident	93.9	Very high	31 Å²	31	79.4 Å²	79.4	19%	0.19	38%	0.38	C	S	.	.			trans	-167.2	145.9	-176.5	-172.7	0	0	0	0	111.2	V76 S80 V85 E103 C105	V76-T78 HydrophobicContact CG1-CG2 3.96Å; V76-T78 PolarHBondContact O-N 2.98Å; T78-S80 VanDerWaalsContact C-N 3.34Å; T78-S80 VanDerWaalsContact OG1-CB 3.27Å; T78-S80 WeakPolarHBondContact OG1-CB 3.4Å; T78-S80 PolarHBondContact OG1-N 3.18Å; T78-S80 PolarHBondContact OG1-OG 2.85Å; T78-V85 HydrophobicContact CG2-CG2 3.83Å; T78-E103 PolarHBondContact N-O 3.26Å; T78-E103 CarbonylContact O-C 3.49Å; T78-C105 HydrophobicContact CG2-CB 4.43Å; T78-C105 VanDerWaalsContact CG2-SG 3.51Å
79	K	86.2	Confident	93.9	Very high	201 Å²	201	80.6 Å²	80.6	87%	0.874	39%	0.385	S	S	*	.	S	Bend	trans	-88.9	-5.4	167.6	-62.4	-177.5	-178.9	177.5	0	112.4
80	S	87.2	Confident	93.7	Very high	68 Å²	68	79.8 Å²	79.8	48%	0.476	39%	0.392	S	S	.	.	S	Bend	trans	-73.4	152	178.5	-59.5	0	0	0	0	110.9	T78 C82 Q102	T78-S80 VanDerWaalsContact C-N 3.34Å; T78-S80 VanDerWaalsContact OG1-CB 3.27Å; T78-S80 WeakPolarHBondContact OG1-CB 3.4Å; T78-S80 PolarHBondContact OG1-N 3.18Å; T78-S80 PolarHBondContact OG1-OG 2.85Å; S80-C82 PolarHBondContact O-N 3Å; S80-Q102 PolarHBondContact O-NE2 3.25Å
81	D	91.4	Very high	93.5	Very high	72 Å²	72	80.7 Å²	80.7	39%	0.385	39%	0.389	S	S	.	.			trans	-51.7	122.3	175.4	-174.4	-13.1	0	0	0	112.1	L83 I84 V85 Q102	D81-L83 PolarHBondContact O-N 3.46Å; D81-L83 VanDerWaalsContact OD1-CB 3.24Å; D81-L83 WeakPolarHBondContact OD1-CB 3.49Å; D81-L83 PolarHBondContact OD1-N 3.29Å; D81-I84 HydrophobicContact CB-CB 4.33Å; D81-I84 HydrophobicContact CB-CD1 3.92Å; D81-I84 HydrophobicContact CB-CG1 3.96Å; D81-I84 WeakPolarHBondContact O-CB 3.45Å; D81-I84 PolarHBondContact O-N 3.03Å; D81-V85 WeakPolarHBondContact O-CG2 2.84Å; D81-V85 PolarHBondContact O-N 3Å; D81-Q102 VanDerWaalsContact CA-NE2 3.28Å
82	C	95.6	Very high	93.4	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-63.1	-25.5	179.6	-64.1	0	0	0	0	113	S80 I84 V85 C86 Y95 H97 Q102 C105	S80-C82 PolarHBondContact O-N 3Å; C82-I84 VanDerWaalsContact C-N 3.32Å; C82-V85 PolarHBondContact O-N 2.97Å; C82-C86 VanDerWaalsContact O-CB 3.23Å; C82-C86 WeakPolarHBondContact O-CB 3.34Å; C82-C86 PolarHBondContact O-N 3.28Å; C82-Y95 HydrophobicContact CB-CD2 3.31Å; C82-Y95 HydrophobicContact CB-CE2 3.59Å; C82-Y95 HydrophobicContact CB-CG 4.03Å; C82-H97 VanDerWaalsContact SG-CB 3.57Å; C82-Q102 PolarHBondContact SG-NE2 3.46Å; C82-C105 WeakPolarHBondContact CA-SG 3.39Å; C82-C105 HydrophobicContact CB-CB 3.77Å; C82-C105 WeakPolarHBondContact CB-SG 3.39Å; C82-C105 WeakPolarHBondContact SG-CA 3.05Å; C82-C105 WeakPolarHBondContact SG-CB 3.39Å; C82-C105 CovalentContact SG-SG 2.03Å; C82-C105 PolarHBondContact SG-SG 2.98Å
83	L	95.1	Very high	93.2	Very high	14 Å²	14	72.3 Å²	72.3	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-46.4	169.8	177.2	60.2	0	0	0	110.7	L36 W56 D81 C86 R87 Y95	L36-L83 HydrophobicContact CB-CD2 4.03Å; L36-L83 HydrophobicContact CD1-CD1 4.44Å; L36-L83 HydrophobicContact CD1-CD2 4.29Å; W56-L83 HydrophobicContact CB-CD1 3.88Å; W56-L83 HydrophobicContact CD2-CD1 3.46Å; W56-L83 VanDerWaalsContact CD2-CD1 3.46Å; W56-L83 HydrophobicContact CE3-CD1 3.62Å; W56-L83 HydrophobicContact CG-CD1 3.59Å; W56-L83 HydrophobicContact CZ3-CD1 4.32Å; D81-L83 PolarHBondContact O-N 3.46Å; D81-L83 VanDerWaalsContact OD1-CB 3.24Å; D81-L83 WeakPolarHBondContact OD1-CB 3.49Å; D81-L83 PolarHBondContact OD1-N 3.29Å; L83-C86 PolarHBondContact O-N 3.11Å; L83-R87 HydrophobicContact CD1-CG 4.29Å; L83-R87 WeakPolarHBondContact O-CB 3.45Å; L83-R87 WeakPolarHBondContact O-CG 3.33Å; L83-R87 PolarHBondContact O-N 3.47Å; L83-Y95 HydrophobicContact CB-CE1 4.12Å; L83-Y95 HydrophobicContact CD1-CE1 3.99Å
84	I	94.8	Very high	93.1	Very high	81 Å²	81	70.3 Å²	70.3	42%	0.415	35%	0.348	S	S	.	.	H	α-helix	trans	-66.2	-47.8	-179.5	-63.3	179.4	0	0	0	109.6	D81 C82 C86 R87 F88	D81-I84 HydrophobicContact CB-CB 4.33Å; D81-I84 HydrophobicContact CB-CD1 3.92Å; D81-I84 HydrophobicContact CB-CG1 3.96Å; D81-I84 WeakPolarHBondContact O-CB 3.45Å; D81-I84 PolarHBondContact O-N 3.03Å; C82-I84 VanDerWaalsContact C-N 3.32Å; I84-C86 VanDerWaalsContact C-N 3.3Å; I84-C86 PolarHBondContact O-N 3.23Å; I84-R87 PolarHBondContact O-N 2.02Å; I84-R87 VanDerWaalsContact O-N 3.15Å; I84-F88 HydrophobicContact CG2-CD2 3.58Å; I84-F88 HydrophobicContact CG2-CE2 3.39Å; I84-F88 WeakPolarHBondContact O-CD2 3.2Å; I84-F88 PolarHBondContact O-N 2.97Å
85	V	95.5	Very high	93.1	Very high	26 Å²	26	66.6 Å²	66.6	16%	0.158	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-44.1	178.5	176.8	0	0	0	0	111.1	V76 T78 D81 C82 H89 C105 L107	V76-V85 HydrophobicContact CB-CG1 4.14Å; V76-V85 HydrophobicContact CG1-CG1 4.13Å; V76-V85 HydrophobicContact CG2-CG1 4.02Å; T78-V85 HydrophobicContact CG2-CG2 3.83Å; D81-V85 WeakPolarHBondContact O-CG2 2.84Å; D81-V85 PolarHBondContact O-N 3Å; C82-V85 PolarHBondContact O-N 2.97Å; V85-H89 PolarHBondContact O-N 2.9Å; V85-C105 HydrophobicContact CG1-CB 4.42Å; V85-L107 HydrophobicContact CG1-CD1 4.14Å; V85-L107 HydrophobicContact CG1-CD2 4.28Å
86	C	95.5	Very high	93	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-43.6	176.5	-174.5	0	0	0	0	111.6	W56 C82 L83 I84 F88 H89 C92 Y95 L107	W56-C86 HydrophobicContact CH2-CB 4.43Å; W56-C86 VanDerWaalsContact CH2-SG 3.54Å; C82-C86 VanDerWaalsContact O-CB 3.23Å; C82-C86 WeakPolarHBondContact O-CB 3.34Å; C82-C86 PolarHBondContact O-N 3.28Å; L83-C86 PolarHBondContact O-N 3.11Å; I84-C86 VanDerWaalsContact C-N 3.3Å; I84-C86 PolarHBondContact O-N 3.23Å; C86-F88 VanDerWaalsContact C-N 3.28Å; C86-F88 PolarHBondContact O-N 3.32Å; C86-H89 PolarHBondContact O-N 3.01Å; C86-H89 VanDerWaalsContact O-O 3.05Å; C86-C92 WeakPolarHBondContact CA-SG 2.92Å; C86-C92 HydrophobicContact CB-CB 4.04Å; C86-C92 WeakPolarHBondContact CB-SG 3.47Å; C86-C92 WeakPolarHBondContact O-CB 3.36Å; C86-C92 WeakPolarHBondContact SG-CB 3.22Å; C86-C92 CovalentContact SG-SG 2.03Å; C86-C92 PolarHBondContact SG-SG 2.7Å; C86-Y95 HydrophobicContact CB-CD1 3.73Å; C86-Y95 HydrophobicContact CB-CG 4.25Å; C86-L107 HydrophobicContact CB-CD2 4.07Å
87	R	92.2	Very high	93	Very high	139 Å²	139	63.2 Å²	63.2	53%	0.525	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-31.3	179.5	-76.7	175.6	65.9	175.8	-1.7	114	W56 L83 I84 H89	W56-R87 HydrophobicContact CZ2-CG 3.69Å; L83-R87 HydrophobicContact CD1-CG 4.29Å; L83-R87 WeakPolarHBondContact O-CB 3.45Å; L83-R87 WeakPolarHBondContact O-CG 3.33Å; L83-R87 PolarHBondContact O-N 3.47Å; I84-R87 PolarHBondContact O-N 2.02Å; I84-R87 VanDerWaalsContact O-N 3.15Å; R87-H89 VanDerWaalsContact C-N 3.3Å
88	F	92.3	Very high	92.8	Very high	176 Å²	176	60.4 Å²	60.4	77%	0.772	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.4	174.8	-74.6	-62.9	0	0	0	113.6	I84 C86	I84-F88 HydrophobicContact CG2-CD2 3.58Å; I84-F88 HydrophobicContact CG2-CE2 3.39Å; I84-F88 WeakPolarHBondContact O-CD2 3.2Å; I84-F88 PolarHBondContact O-N 2.97Å; C86-F88 VanDerWaalsContact C-N 3.28Å; C86-F88 PolarHBondContact O-N 3.32Å
89	H	92.6	Very high	92.8	Very high	43 Å²	43	61.6 Å²	61.6	20%	0.199	31%	0.308	C	S	.	.	S	Bend	trans	-100.4	112.2	175.9	-161.8	69.4	0	0	0	110	V85 C86 R87 Q91 C92 L107	V85-H89 PolarHBondContact O-N 2.9Å; C86-H89 PolarHBondContact O-N 3.01Å; C86-H89 VanDerWaalsContact O-O 3.05Å; R87-H89 VanDerWaalsContact C-N 3.3Å; H89-Q91 PolarHBondContact O-N 3.43Å; H89-C92 HydrophobicContact CB-CB 3.86Å; H89-C92 WeakPolarHBondContact O-CB 3.45Å; H89-C92 PolarHBondContact O-N 3.32Å; H89-L107 HydrophobicContact CB-CD1 4.06Å
90	P	89	Confident	92.7	Very high	123 Å²	123	58.8 Å²	58.8	80%	0.799	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.6	-165.5	23.3	-34.1	0	0	0	114.3
91	Q	92.1	Very high	92.5	Very high	120 Å²	120	61.7 Å²	61.7	56%	0.561	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-9.6	178.6	-65.9	-179.9	-22.3	0	0	113.4	L73 H89 S109	L73-Q91 HydrophobicContact CD1-CB 3.9Å; L73-Q91 HydrophobicContact CD2-CB 4.27Å; H89-Q91 PolarHBondContact O-N 3.43Å; Q91-S109 WeakPolarHBondContact O-CA 3.36Å
92	C	94.2	Very high	92	Very high	6 Å²	6	60.6 Å²	60.6	4%	0.041	30%	0.298	C	S	.	.			trans	-79.3	127.9	-175.6	-173.3	0	0	0	0	111.6	L73 C86 H89 L94 L107	L73-C92 HydrophobicContact CD1-CB 4.34Å; C86-C92 WeakPolarHBondContact CA-SG 2.92Å; C86-C92 HydrophobicContact CB-CB 4.04Å; C86-C92 WeakPolarHBondContact CB-SG 3.47Å; C86-C92 WeakPolarHBondContact O-CB 3.36Å; C86-C92 WeakPolarHBondContact SG-CB 3.22Å; C86-C92 CovalentContact SG-SG 2.03Å; C86-C92 PolarHBondContact SG-SG 2.7Å; H89-C92 HydrophobicContact CB-CB 3.86Å; H89-C92 WeakPolarHBondContact O-CB 3.45Å; H89-C92 PolarHBondContact O-N 3.32Å; C92-L94 PolarHBondContact SG-O 3.28Å; C92-L107 HydrophobicContact CB-CB 4.44Å
93	K	92.6	Very high	91.6	Very high	40 Å²	40	64 Å²	64	17%	0.174	31%	0.314	C	S	.	.	S	Bend	trans	-125.3	-18.7	178.1	-52.6	-172.6	-161.2	140	0	112.7	N48 Y108 S109 G110 L111 G129 R130	N48-K93 PolarHBondContact ND2-NZ 2.91Å; N48-K93 PolarHBondContact OD1-NZ 3.45Å; K93-Y108 PolarHBondContact N-O 3.03Å; K93-S109 VanDerWaalsContact CD-O 3.23Å; K93-S109 WeakPolarHBondContact CD-O 3.49Å; K93-S109 WeakPolarHBondContact CE-O 3.4Å; K93-S109 PolarHBondContact NZ-O 3.28Å; K93-G110 WeakPolarHBondContact CB-O 3.16Å; K93-L111 HydrophobicContact CB-CD2 4.1Å; K93-L111 HydrophobicContact CD-CD2 3.44Å; K93-L111 VanDerWaalsContact CD-CD2 3.44Å; K93-L111 HydrophobicContact CD-CG 4.18Å; K93-L111 HydrophobicContact CG-CD2 4.37Å; K93-G129 WeakPolarHBondContact O-CA 3.28Å; K93-R130 PolarHBondContact O-N 2.79Å
94	L	95.3	Very high	91.5	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	147	177.6	-176.1	152.3	0	0	0	109.1	P63 F67 C92 T96 Y108 G110 M112 T115 T127 G128	P63-L94 HydrophobicContact CG-CD2 3.96Å; F67-L94 HydrophobicContact CE1-CD1 4Å; F67-L94 HydrophobicContact CE1-CD2 4.05Å; F67-L94 HydrophobicContact CZ-CD1 3.93Å; C92-L94 PolarHBondContact SG-O 3.28Å; L94-T96 HydrophobicContact CD2-CG2 4.12Å; L94-Y108 HydrophobicContact CD2-CD2 3.48Å; L94-Y108 VanDerWaalsContact CD2-CD2 3.48Å; L94-Y108 HydrophobicContact CD2-CE2 4.21Å; L94-Y108 HydrophobicContact CD2-CG 4Å; L94-Y108 PolarHBondContact N-O 2.88Å; L94-Y108 PolarHBondContact O-N 3.18Å; L94-G110 WeakPolarHBondContact CB-O 3.23Å; L94-M112 HydrophobicContact CD1-CB 4.4Å; L94-M112 HydrophobicContact CD1-CE 4.16Å; L94-M112 HydrophobicContact CD1-SD 3.95Å; L94-T115 HydrophobicContact CD1-CG2 4.06Å; L94-T127 HydrophobicContact CD1-CG2 3.96Å; L94-T127 HydrophobicContact CD2-CG2 3.7Å; L94-T127 HydrophobicContact CG-CG2 3.86Å; L94-G128 CarbonylContact C-O 3.52Å; L94-G128 VanDerWaalsContact CA-O 3.3Å; L94-G128 WeakPolarHBondContact CA-O 3.38Å
95	Y	96.6	Very high	91.6	Very high	5 Å²	5	63.8 Å²	63.8	2%	0.02	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.4	175.1	65.3	-89.9	0	0	0	110.9	L36 W56 C82 L83 C86 H97 K106 T127 G128	L36-Y95 WeakPolarHBondContact CD1-OH 3.16Å; W56-Y95 HydrophobicContact CE3-CE1 4.18Å; W56-Y95 HydrophobicContact CZ3-CD1 4.18Å; W56-Y95 HydrophobicContact CZ3-CE1 4.12Å; C82-Y95 HydrophobicContact CB-CD2 3.31Å; C82-Y95 HydrophobicContact CB-CE2 3.59Å; C82-Y95 HydrophobicContact CB-CG 4.03Å; L83-Y95 HydrophobicContact CB-CE1 4.12Å; L83-Y95 HydrophobicContact CD1-CE1 3.99Å; C86-Y95 HydrophobicContact CB-CD1 3.73Å; C86-Y95 HydrophobicContact CB-CG 4.25Å; Y95-H97 AromaticContact CE2-CD2 3.79Å; Y95-K106 CarbonylContact C-O 3.59Å; Y95-K106 WeakPolarHBondContact CA-O 3.1Å; Y95-K106 WeakPolarHBondContact CB-O 3.38Å; Y95-T127 CarbonylContact O-C 3.48Å; Y95-T127 WeakPolarHBondContact O-CA 3.49Å; Y95-G128 WeakPolarHBondContact CD1-O 3.34Å; Y95-G128 PolarHBondContact N-O 2.78Å; Y95-G128 PolarHBondContact O-N 2.92Å
96	T	95.2	Very high	91.6	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145	173	68.9	0	0	0	0	110.6	L62 P63 L94 K106 Y108 V126 T127	L62-T96 HydrophobicContact CD2-CG2 3.69Å; P63-T96 HydrophobicContact CG-CG2 4.17Å; L94-T96 HydrophobicContact CD2-CG2 4.12Å; T96-K106 PolarHBondContact N-O 2.76Å; T96-K106 PolarHBondContact O-N 3.02Å; T96-K106 WeakPolarHBondContact OG1-CB 3.41Å; T96-Y108 HydrophobicContact CG2-CD2 4.4Å; T96-Y108 HydrophobicContact CG2-CE2 3.7Å; T96-V126 VanDerWaalsContact CA-O 3.27Å; T96-V126 WeakPolarHBondContact CA-O 3.3Å; T96-T127 HydrophobicContact CG2-CG2 4.04Å; T96-T127 WeakPolarHBondContact CG2-OG1 3.42Å
97	H	94.5	Very high	91.7	Very high	22 Å²	22	66 Å²	66	10%	0.102	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	163.5	171.2	66.1	93.6	0	0	0	111.4	C82 Y95 Q102 Y125 V126	C82-H97 VanDerWaalsContact SG-CB 3.57Å; Y95-H97 AromaticContact CE2-CD2 3.79Å; H97-Q102 HydrophobicContact CB-CG 4.03Å; H97-Q102 PolarHBondContact CE1-OE1 2.88Å; H97-Q102 PolarHBondContact ND1-OE1 3.22Å; H97-Y125 CarbonylContact O-C 3.6Å; H97-Y125 WeakPolarHBondContact O-CA 3.38Å; H97-Y125 WeakPolarHBondContact O-CD1 3.27Å; H97-V126 PolarHBondContact N-O 2.86Å; H97-V126 PolarHBondContact O-N 2.82Å
98	K	92.1	Very high	91.9	Very high	101 Å²	101	59.6 Å²	59.6	44%	0.439	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136	170.6	-69.4	-176	175.3	-177.7	0	109.6	Y125	K98-Y125 HydrophobicContact CG-CD1 4.46Å; K98-Y125 HydrophobicContact CG-CE1 3.83Å; K98-Y125 HydrophobicContact CG-CE2 4.23Å
99	A	88.4	Confident	92	Very high	56 Å²	56	52.9 Å²	52.9	46%	0.463	27%	0.268	S	S	.	.	S	Bend	trans	-67	-38.1	179.8	0	0	0	0	0	112.3	H124 V126	A99-H124 HydrophobicContact CB-CB 4.2Å; A99-H124 WeakPolarHBondContact CB-O 3.21Å; A99-H124 PolarHBondContact N-O 3.19Å; A99-V126 HydrophobicContact CB-CG2 3.86Å
100	I	85.2	Confident	92	Very high	142 Å²	142	51 Å²	51	73%	0.728	26%	0.26	S	S	*	.	S	Bend	trans	-80.9	-45.1	-171.7	-55.2	176.1	0	0	0	111.6	H124	I100-H124 HydrophobicContact CD1-CB 4.43Å; I100-H124 HydrophobicContact CG1-CB 4.44Å
101	K	82.5	Confident	92	Very high	129 Å²	129	45.7 Å²	45.7	56%	0.561	23%	0.225	S	C	*	.			trans	-141.8	104.4	-178	-162.1	-175.1	179.6	-163.8	0	110.4	E103	K101-E103 HydrophobicContact CD-CG 3.98Å; K101-E103 VanDerWaalsContact CD-OE1 3.28Å; K101-E103 WeakPolarHBondContact CD-OE1 3.43Å; K101-E103 WeakPolarHBondContact CE-OE1 3.46Å; K101-E103 HydrophobicContact CG-CG 3.93Å; K101-E103 IonicContact NZ-OE1 2.65Å; K101-E103 PolarHBondContact NZ-OE1 3.2Å; K101-E103 PolarHBondContact O-N 2.03Å
102	Q	80.4	Confident	91.7	Very high	49 Å²	49	40.2 Å²	40.2	23%	0.229	20%	0.199	C	C	.	.			trans	-79.7	87.8	179.5	-172.6	172.5	-44.1	0	0	110.1	S80 D81 C82 H97	S80-Q102 PolarHBondContact O-NE2 3.25Å; D81-Q102 VanDerWaalsContact CA-NE2 3.28Å; C82-Q102 PolarHBondContact SG-NE2 3.46Å; H97-Q102 HydrophobicContact CB-CG 4.03Å; H97-Q102 PolarHBondContact CE1-OE1 2.88Å; H97-Q102 PolarHBondContact ND1-OE1 3.22Å
103	E	88	Confident	91.1	Very high	71 Å²	71	43.1 Å²	43.1	33%	0.332	21%	0.212	S	C	.	.			trans	-95.9	-30.3	173.5	-62.5	177.6	148	0	0	111.5	E77 T78 K101	E77-E103 WeakPolarHBondContact CA-O 2.98Å; T78-E103 PolarHBondContact N-O 3.26Å; T78-E103 CarbonylContact O-C 3.49Å; K101-E103 HydrophobicContact CD-CG 3.98Å; K101-E103 VanDerWaalsContact CD-OE1 3.28Å; K101-E103 WeakPolarHBondContact CD-OE1 3.43Å; K101-E103 WeakPolarHBondContact CE-OE1 3.46Å; K101-E103 HydrophobicContact CG-CG 3.93Å; K101-E103 IonicContact NZ-OE1 2.65Å; K101-E103 PolarHBondContact NZ-OE1 3.2Å; K101-E103 PolarHBondContact O-N 2.03Å
104	F	93.2	Very high	90.6	Very high	92 Å²	92	46.1 Å²	46.1	40%	0.404	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.3	-174.8	-58	-81.6	0	0	0	111.1	T75 V76 E77	T75-F104 HydrophobicContact CG2-CB 3.92Å; T75-F104 HydrophobicContact CG2-CD1 3.91Å; T75-F104 HydrophobicContact CG2-CG 4.26Å; V76-F104 CarbonylContact O-C 3.52Å; V76-F104 WeakPolarHBondContact O-CA 3.45Å; E77-F104 HydrophobicContact CB-CD1 4Å; E77-F104 HydrophobicContact CB-CE1 3.84Å; E77-F104 HydrophobicContact CG-CD1 4.25Å; E77-F104 HydrophobicContact CG-CE1 3.79Å; E77-F104 HydrophobicContact CG-CZ 4.41Å
105	C	95.8	Very high	90	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.7	166.5	-57.9	0	0	0	0	108.8	T75 V76 T78 C82 V85 L107	T75-C105 CarbonylContact C-O 3.51Å; T75-C105 WeakPolarHBondContact CA-O 3.5Å; V76-C105 HydrophobicContact CB-CB 4.44Å; V76-C105 PolarHBondContact N-O 3.03Å; V76-C105 PolarHBondContact O-N 3.14Å; T78-C105 HydrophobicContact CG2-CB 4.43Å; T78-C105 VanDerWaalsContact CG2-SG 3.51Å; C82-C105 WeakPolarHBondContact CA-SG 3.39Å; C82-C105 HydrophobicContact CB-CB 3.77Å; C82-C105 WeakPolarHBondContact CB-SG 3.39Å; C82-C105 WeakPolarHBondContact SG-CA 3.05Å; C82-C105 WeakPolarHBondContact SG-CB 3.39Å; C82-C105 CovalentContact SG-SG 2.03Å; C82-C105 PolarHBondContact SG-SG 2.98Å; V85-C105 HydrophobicContact CG1-CB 4.42Å; C105-L107 HydrophobicContact CB-CD2 4.15Å
106	K	96.5	Very high	89.5	Confident	72 Å²	72	51.4 Å²	51.4	31%	0.313	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.3	168	-56.6	-178.3	179	178.5	0	108.4	T75 Y95 T96 Y108	T75-K106 HydrophobicContact CG2-CG 4.31Å; Y95-K106 CarbonylContact C-O 3.59Å; Y95-K106 WeakPolarHBondContact CA-O 3.1Å; Y95-K106 WeakPolarHBondContact CB-O 3.38Å; T96-K106 PolarHBondContact N-O 2.76Å; T96-K106 PolarHBondContact O-N 3.02Å; T96-K106 WeakPolarHBondContact OG1-CB 3.41Å; K106-Y108 HydrophobicContact CB-CE2 3.68Å; K106-Y108 VanDerWaalsContact CB-OH 3.28Å; K106-Y108 WeakPolarHBondContact CB-OH 3.49Å; K106-Y108 WeakPolarHBondContact CD-OH 3.47Å; K106-Y108 WeakPolarHBondContact O-CE2 3.4Å
107	L	97.4	Very high	89	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.3	-175.5	-52.8	-173.5	0	0	0	110.4	L73 K74 V76 V85 C86 H89 C92 C105	L73-L107 HydrophobicContact CB-CB 4.39Å; L73-L107 WeakPolarHBondContact CB-O 3.48Å; L73-L107 PolarHBondContact N-O 3.38Å; K74-L107 HydrophobicContact CG-CD1 4.18Å; K74-L107 PolarHBondContact O-N 3.08Å; V76-L107 HydrophobicContact CG2-CD1 4.07Å; V76-L107 HydrophobicContact CG2-CG 4.47Å; V85-L107 HydrophobicContact CG1-CD1 4.14Å; V85-L107 HydrophobicContact CG1-CD2 4.28Å; C86-L107 HydrophobicContact CB-CD2 4.07Å; H89-L107 HydrophobicContact CB-CD1 4.06Å; C92-L107 HydrophobicContact CB-CB 4.44Å; C105-L107 HydrophobicContact CB-CD2 4.15Å
108	Y	96.8	Very high	88.5	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.1	-175.6	-53.9	-90.6	0	0	0	111.7	F67 L68 Y71 W72 K93 L94 T96 K106	F67-Y108 HydrophobicContact CE1-CD1 4.49Å; F67-Y108 HydrophobicContact CE1-CG 4.35Å; L68-Y108 HydrophobicContact CB-CE1 4.19Å; L68-Y108 HydrophobicContact CD2-CE1 3.66Å; L68-Y108 HydrophobicContact CD2-CE2 4.25Å; L68-Y108 WeakPolarHBondContact CD2-OH 2.97Å; L68-Y108 WeakPolarHBondContact O-CE1 3.23Å; Y71-Y108 CarbonylContact O-C 3.48Å; Y71-Y108 WeakPolarHBondContact O-CA 3.49Å; W72-Y108 HydrophobicContact CB-CD1 4.29Å; W72-Y108 HydrophobicContact CB-CE1 4.17Å; K93-Y108 PolarHBondContact N-O 3.03Å; L94-Y108 HydrophobicContact CD2-CD2 3.48Å; L94-Y108 VanDerWaalsContact CD2-CD2 3.48Å; L94-Y108 HydrophobicContact CD2-CE2 4.21Å; L94-Y108 HydrophobicContact CD2-CG 4Å; L94-Y108 PolarHBondContact N-O 2.88Å; L94-Y108 PolarHBondContact O-N 3.18Å; T96-Y108 HydrophobicContact CG2-CD2 4.4Å; T96-Y108 HydrophobicContact CG2-CE2 3.7Å; K106-Y108 HydrophobicContact CB-CE2 3.68Å; K106-Y108 VanDerWaalsContact CB-OH 3.28Å; K106-Y108 WeakPolarHBondContact CB-OH 3.49Å; K106-Y108 WeakPolarHBondContact CD-OH 3.47Å; K106-Y108 WeakPolarHBondContact O-CE2 3.4Å
109	S	94.4	Very high	87.9	Confident	36 Å²	36	54.3 Å²	54.3	25%	0.252	29%	0.287	S	S	.	.	S	Bend	trans	-89.7	-13.3	178.5	61	0	0	0	0	114.3	Y71 Q91 K93	Y71-S109 PolarHBondContact O-N 3.31Å; Y71-S109 PolarHBondContact O-OG 3.36Å; Q91-S109 WeakPolarHBondContact O-CA 3.36Å; K93-S109 VanDerWaalsContact CD-O 3.23Å; K93-S109 WeakPolarHBondContact CD-O 3.49Å; K93-S109 WeakPolarHBondContact CE-O 3.4Å; K93-S109 PolarHBondContact NZ-O 3.28Å
110	G	92.4	Very high	87.3	Confident	3 Å²	3	58.2 Å²	58.2	3%	0.031	30%	0.3	C	S	.	.	S	Bend	trans	-76.4	155.7	179.3	0	0	0	0	0	112.5	K93 L94	K93-G110 WeakPolarHBondContact CB-O 3.16Å; L94-G110 WeakPolarHBondContact CB-O 3.23Å
111	L	89	Confident	86.4	Confident	12 Å²	12	52.8 Å²	52.8	6%	0.063	27%	0.274	C	S	.	.			trans	-88.5	151	179.1	-65.9	174.5	0	0	0	111.5	N48 M49 K93 E113 N114	N48-L111 VanDerWaalsContact O-CD1 3.25Å; N48-L111 WeakPolarHBondContact O-CD1 3.4Å; M49-L111 HydrophobicContact CE-CD2 4.02Å; M49-L111 HydrophobicContact CG-CD1 3.85Å; M49-L111 HydrophobicContact CG-CD2 3.58Å; M49-L111 HydrophobicContact CG-CG 4.4Å; M49-L111 HydrophobicContact SD-CD2 3.88Å; K93-L111 HydrophobicContact CB-CD2 4.1Å; K93-L111 HydrophobicContact CD-CD2 3.44Å; K93-L111 VanDerWaalsContact CD-CD2 3.44Å; K93-L111 HydrophobicContact CD-CG 4.18Å; K93-L111 HydrophobicContact CG-CD2 4.37Å; L111-E113 PolarHBondContact O-N 3.33Å; L111-N114 PolarHBondContact O-N 3.44Å
112	M	86.2	Confident	85.5	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.02	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.9	-34.5	174.3	-173.2	70.8	79.9	0	0	112	L29 I57 I59 L94 N114 T115 I117 T127 V131	L29-M112 HydrophobicContact CD2-CG 3.82Å; I57-M112 HydrophobicContact CD1-CG 4.48Å; I57-M112 HydrophobicContact CG1-CE 4.44Å; I59-M112 HydrophobicContact CD1-CE 4.49Å; I59-M112 HydrophobicContact CD1-SD 4.2Å; L94-M112 HydrophobicContact CD1-CB 4.4Å; L94-M112 HydrophobicContact CD1-CE 4.16Å; L94-M112 HydrophobicContact CD1-SD 3.95Å; M112-N114 PolarHBondContact O-N 2.89Å; M112-T115 WeakPolarHBondContact O-CG2 3.47Å; M112-T115 PolarHBondContact O-N 3.41Å; M112-T115 HydrophobicContact SD-CG2 4.1Å; M112-I117 HydrophobicContact SD-CD1 4.06Å; M112-I117 HydrophobicContact SD-CG1 4.22Å; M112-T127 HydrophobicContact CE-CG2 3.88Å; M112-T127 HydrophobicContact SD-CG2 4.33Å; M112-V131 HydrophobicContact CB-CG1 3.84Å; M112-V131 HydrophobicContact CG-CG1 3.96Å
113	E	80.8	Confident	84.9	Confident	68 Å²	68	54.6 Å²	54.6	32%	0.318	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-65.7	-20.6	179.7	-67.8	163.9	-162.9	0	0	113.2	T25 L111 C132	T25-E113 HydrophobicContact CG2-CG 4.31Å; L111-E113 PolarHBondContact O-N 3.33Å; E113-C132 PolarHBondContact OE1-N 2.98Å
114	N	83	Confident	84.9	Confident	103 Å²	103	57 Å²	57	55%	0.551	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-99.5	8	-177.4	-64.6	4.9	0	0	0	112.6	L111 M112	L111-N114 PolarHBondContact O-N 3.44Å; M112-N114 PolarHBondContact O-N 2.89Å
115	T	81.9	Confident	84.8	Confident	21 Å²	21	54.1 Å²	54.1	13%	0.129	29%	0.294	C	S	.	.			trans	-123.1	150.9	-177	-164.5	0	0	0	0	112.2	P63 F67 L94 M112 I117	P63-T115 WeakPolarHBondContact CB-OG1 3.44Å; F67-T115 VanDerWaalsContact CD2-CB 3.43Å; F67-T115 HydrophobicContact CE2-CG2 4.4Å; F67-T115 WeakPolarHBondContact CG-OG1 3.24Å; L94-T115 HydrophobicContact CD1-CG2 4.06Å; M112-T115 WeakPolarHBondContact O-CG2 3.47Å; M112-T115 PolarHBondContact O-N 3.41Å; M112-T115 HydrophobicContact SD-CG2 4.1Å; T115-I117 HydrophobicContact CG2-CD1 3.61Å; T115-I117 HydrophobicContact CG2-CG1 4.34Å
116	T	86.3	Confident	84.6	Confident	94 Å²	94	55.4 Å²	55.4	58%	0.577	30%	0.302	S	S	*	.			trans	-101.5	128.3	164.4	-58.2	0	0	0	0	107.7	P63 M64	P63-T116 WeakPolarHBondContact CA-O 3.2Å; M64-T116 HydrophobicContact CG-CG2 4.45Å; M64-T116 PolarHBondContact N-O 2.81Å; M64-T116 HydrophobicContact SD-CG2 4.25Å
117	I	84.9	Confident	84.5	Confident	30 Å²	30	52 Å²	52	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.6	177.3	-55.6	-57.7	0	0	0	108.6	I59 L62 P63 M112 T115 T119 T127	I59-I117 HydrophobicContact CD1-CG1 4.43Å; I59-I117 HydrophobicContact CG2-CG2 4.09Å; L62-I117 CarbonylContact O-C 3.49Å; L62-I117 WeakPolarHBondContact O-CA 3.16Å; P63-I117 HydrophobicContact CB-CD1 4.35Å; P63-I117 HydrophobicContact CG-CD1 3.94Å; M112-I117 HydrophobicContact SD-CD1 4.06Å; M112-I117 HydrophobicContact SD-CG1 4.22Å; T115-I117 HydrophobicContact CG2-CD1 3.61Å; T115-I117 HydrophobicContact CG2-CG1 4.34Å; I117-T119 HydrophobicContact CG2-CG2 4.44Å; I117-T119 PolarHBondContact O-N 2.99Å; I117-T127 HydrophobicContact CD1-CG2 3.85Å
118	D	84.2	Confident	84.3	Confident	77 Å²	77	52 Å²	52	41%	0.412	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	102.9	166.6	-179.2	7.8	0	0	0	109.3	G61 L62 N120	G61-D118 WeakPolarHBondContact CA-O 3.43Å; L62-D118 PolarHBondContact N-O 2.88Å; L62-D118 PolarHBondContact O-N 2.81Å; D118-N120 VanDerWaalsContact C-N 3.28Å; D118-N120 WeakPolarHBondContact OD1-CA 3.3Å; D118-N120 WeakPolarHBondContact OD1-CB 3.47Å; D118-N120 PolarHBondContact OD1-N 2.89Å
119	T	79	Confident	84.1	Confident	77 Å²	77	51.8 Å²	51.8	47%	0.472	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.9	177.5	59.4	0	0	0	0	113	I117	I117-T119 HydrophobicContact CG2-CG2 4.44Å; I117-T119 PolarHBondContact O-N 2.99Å
120	N	76.7	Confident	83.9	Confident	139 Å²	139	52.2 Å²	52.2	74%	0.743	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	4	-176.5	-68.6	-13.1	0	0	0	112.8	D118 T122	D118-N120 VanDerWaalsContact C-N 3.28Å; D118-N120 WeakPolarHBondContact OD1-CA 3.3Å; D118-N120 WeakPolarHBondContact OD1-CB 3.47Å; D118-N120 PolarHBondContact OD1-N 2.89Å; N120-T122 PolarHBondContact O-N 2.89Å
121	S	65.2	Low	83.6	Confident	27 Å²	27	52.1 Å²	52.1	19%	0.189	28%	0.281	C	S	.	.			trans	-58.3	128.2	179.6	74.9	0	0	0	0	111	D123	S121-D123 PolarHBondContact O-N 3.38Å
122	T	63.5	Low	83.4	Confident	119 Å²	119	52.9 Å²	52.9	73%	0.73	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.1	177.4	45.7	0	0	0	0	113.5	N120 H124	N120-T122 PolarHBondContact O-N 2.89Å; T122-H124 PolarHBondContact O-N 3.28Å; T122-H124 VanDerWaalsContact O-N 3.15Å
123	D	68.9	Low	83.2	Confident	97 Å²	97	53 Å²	53	52%	0.519	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	11.6	-164.3	-60.9	-12.9	0	0	0	114.3	S121 Y125	S121-D123 PolarHBondContact O-N 3.38Å; D123-Y125 HydrophobicContact CB-CD2 3.48Å; D123-Y125 VanDerWaalsContact CB-CD2 3.48Å; D123-Y125 HydrophobicContact CB-CE2 3.38Å; D123-Y125 WeakPolarHBondContact O-CD2 3.4Å; D123-Y125 PolarHBondContact O-N 2.65Å
124	H	86.4	Confident	82.8	Confident	122 Å²	122	51.2 Å²	51.2	57%	0.565	28%	0.283	S	S	*	.			trans	43.9	63.1	179.3	-64.9	-69.7	0	0	0	112.4	A99 I100 T122	A99-H124 HydrophobicContact CB-CB 4.2Å; A99-H124 WeakPolarHBondContact CB-O 3.21Å; A99-H124 PolarHBondContact N-O 3.19Å; I100-H124 HydrophobicContact CD1-CB 4.43Å; I100-H124 HydrophobicContact CG1-CB 4.44Å; T122-H124 PolarHBondContact O-N 3.28Å; T122-H124 VanDerWaalsContact O-N 3.15Å
125	Y	91.4	Very high	81.2	Confident	32 Å²	32	50.6 Å²	50.6	13%	0.125	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	156.3	175.1	-85.3	-92.1	0	0	0	111.8	G61 L62 H97 K98 D123	G61-Y125 PolarHBondContact N-O 2.81Å; L62-Y125 HydrophobicContact CD1-CD1 4.31Å; L62-Y125 HydrophobicContact CD1-CD2 3.56Å; L62-Y125 HydrophobicContact CD1-CE2 3.97Å; L62-Y125 HydrophobicContact CD1-CG 3.75Å; L62-Y125 HydrophobicContact CD2-CD1 3.62Å; L62-Y125 HydrophobicContact CD2-CD2 4.31Å; L62-Y125 HydrophobicContact CD2-CE1 4.34Å; L62-Y125 HydrophobicContact CD2-CG 3.63Å; L62-Y125 HydrophobicContact CG-CD1 4.13Å; L62-Y125 HydrophobicContact CG-CD2 3.92Å; L62-Y125 HydrophobicContact CG-CG 3.59Å; H97-Y125 CarbonylContact O-C 3.6Å; H97-Y125 WeakPolarHBondContact O-CA 3.38Å; H97-Y125 WeakPolarHBondContact O-CD1 3.27Å; K98-Y125 HydrophobicContact CG-CD1 4.46Å; K98-Y125 HydrophobicContact CG-CE1 3.83Å; K98-Y125 HydrophobicContact CG-CE2 4.23Å; D123-Y125 HydrophobicContact CB-CD2 3.48Å; D123-Y125 VanDerWaalsContact CB-CD2 3.48Å; D123-Y125 HydrophobicContact CB-CE2 3.38Å; D123-Y125 WeakPolarHBondContact O-CD2 3.4Å; D123-Y125 PolarHBondContact O-N 2.65Å
126	V	92.1	Very high	79.2	Confident	26 Å²	26	56.8 Å²	56.8	16%	0.158	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.9	168	177.9	0	0	0	0	107.6	T96 H97 A99	T96-V126 VanDerWaalsContact CA-O 3.27Å; T96-V126 WeakPolarHBondContact CA-O 3.3Å; H97-V126 PolarHBondContact N-O 2.86Å; H97-V126 PolarHBondContact O-N 2.82Å; A99-V126 HydrophobicContact CB-CG2 3.86Å
127	T	93.1	Very high	76.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.4	174.8	-61.5	0	0	0	0	109.1	S58 I59 G61 P63 L94 Y95 T96 M112 I117	S58-T127 CarbonylContact C-O 3.5Å; S58-T127 VanDerWaalsContact CA-O 3.24Å; S58-T127 WeakPolarHBondContact CA-O 3.4Å; I59-T127 PolarHBondContact N-O 3.46Å; I59-T127 PolarHBondContact O-N 3.47Å; G61-T127 PolarHBondContact O-OG1 3Å; P63-T127 VanDerWaalsContact CD-OG1 3.3Å; P63-T127 WeakPolarHBondContact CD-OG1 3.12Å; P63-T127 HydrophobicContact CG-CG2 4.04Å; L94-T127 HydrophobicContact CD1-CG2 3.96Å; L94-T127 HydrophobicContact CD2-CG2 3.7Å; L94-T127 HydrophobicContact CG-CG2 3.86Å; Y95-T127 CarbonylContact O-C 3.48Å; Y95-T127 WeakPolarHBondContact O-CA 3.49Å; T96-T127 HydrophobicContact CG2-CG2 4.04Å; T96-T127 WeakPolarHBondContact CG2-OG1 3.42Å; M112-T127 HydrophobicContact CE-CG2 3.88Å; M112-T127 HydrophobicContact SD-CG2 4.33Å; I117-T127 HydrophobicContact CD1-CG2 3.85Å
128	G	93.9	Very high	74.2	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144	173.5	0	0	0	0	0	111.3	I57 L94 Y95	I57-G128 CarbonylContact O-C 3.6Å; I57-G128 WeakPolarHBondContact O-CA 3.08Å; L94-G128 CarbonylContact C-O 3.52Å; L94-G128 VanDerWaalsContact CA-O 3.3Å; L94-G128 WeakPolarHBondContact CA-O 3.38Å; Y95-G128 WeakPolarHBondContact CD1-O 3.34Å; Y95-G128 PolarHBondContact N-O 2.78Å; Y95-G128 PolarHBondContact O-N 2.92Å
129	G	93.3	Very high	71.7	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	164.6	-178.7	0	0	0	0	0	113.4	W56 I57 K93	W56-G129 WeakPolarHBondContact CA-O 3.36Å; W56-G129 VanDerWaalsContact CE3-C 3.4Å; I57-G129 PolarHBondContact N-O 2.9Å; I57-G129 PolarHBondContact O-N 2.89Å; K93-G129 WeakPolarHBondContact O-CA 3.28Å
130	R	89.5	Confident	69.5	Low	45 Å²	45	66.5 Å²	66.5	17%	0.17	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.6	176.4	-170.1	175.6	-73	171	-0.7	110	C42 C45 M49 T54 Q55 W56 K93	C42-R130 PolarHBondContact SG-NH1 3.3Å; C45-R130 VanDerWaalsContact SG-CD 3.6Å; C45-R130 PolarHBondContact SG-NH1 2.03Å; M49-R130 HydrophobicContact CE-CG 4.17Å; M49-R130 WeakPolarHBondContact CE-O 3.25Å; M49-R130 HydrophobicContact SD-CB 4.45Å; M49-R130 HydrophobicContact SD-CG 3.87Å; T54-R130 HydrophobicContact CG2-CG 4.05Å; T54-R130 WeakPolarHBondContact OG1-CD 3.39Å; Q55-R130 WeakPolarHBondContact O-CA 3.29Å; W56-R130 HydrophobicContact CD2-CB 4.32Å; W56-R130 HydrophobicContact CE3-CB 4.3Å; W56-R130 HydrophobicContact CH2-CB 4.33Å; W56-R130 HydrophobicContact CZ2-CB 4.38Å; W56-R130 VanDerWaalsContact CZ2-NH2 3.31Å; W56-R130 HydrophobicContact CZ3-CB 4.29Å; K93-R130 PolarHBondContact O-N 2.79Å
131	V	86.8	Confident	67.5	Low	2 Å²	2	64.4 Å²	64.4	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.5	174.7	-63.6	0	0	0	0	110.2	L29 T54 Q55 I57 M112 C133	L29-V131 HydrophobicContact CD1-CB 4.12Å; L29-V131 HydrophobicContact CD1-CG1 3.75Å; L29-V131 HydrophobicContact CD1-CG2 4.39Å; L29-V131 HydrophobicContact CD2-CG1 4.19Å; T54-V131 CarbonylContact C-O 3.59Å; T54-V131 WeakPolarHBondContact CA-O 3.47Å; T54-V131 WeakPolarHBondContact CB-O 3.46Å; Q55-V131 HydrophobicContact CG-CG2 3.72Å; Q55-V131 PolarHBondContact N-O 3.28Å; Q55-V131 PolarHBondContact O-N 2.95Å; I57-V131 HydrophobicContact CD1-CG1 3.64Å; I57-V131 HydrophobicContact CD1-CG2 4.2Å; I57-V131 HydrophobicContact CG1-CG1 3.93Å; I57-V131 HydrophobicContact CG1-CG2 4.17Å; I57-V131 HydrophobicContact CG2-CG2 3.91Å; M112-V131 HydrophobicContact CB-CG1 3.84Å; M112-V131 HydrophobicContact CG-CG1 3.96Å; V131-C133 PolarHBondContact O-N 2.93Å
132	C	85.1	Confident	65.8	Low	27 Å²	27	70.2 Å²	70.2	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.5	170.8	-73	0	0	0	0	111.2	C51 E113 C134	C51-C132 HydrophobicContact CB-CB 3.64Å; C51-C132 WeakPolarHBondContact CB-SG 3.38Å; C51-C132 WeakPolarHBondContact SG-CA 3.46Å; C51-C132 WeakPolarHBondContact SG-CB 3.14Å; C51-C132 CovalentContact SG-SG 2.02Å; C51-C132 PolarHBondContact SG-SG 2.9Å; E113-C132 PolarHBondContact OE1-N 2.98Å; C132-C134 PolarHBondContact O-N 3.39Å
133	C	81.5	Confident	64.5	Low	7 Å²	7	70.8 Å²	70.8	5%	0.047	34%	0.337	C	S	.	.			trans	-71.7	132.1	166.2	-60.4	0	0	0	0	109	C39 Y53 T54 V131 K135	C39-C133 WeakPolarHBondContact CA-SG 3.13Å; C39-C133 HydrophobicContact CB-CB 3.97Å; C39-C133 WeakPolarHBondContact CB-SG 3.33Å; C39-C133 WeakPolarHBondContact SG-CB 3.25Å; C39-C133 CovalentContact SG-SG 2.02Å; C39-C133 PolarHBondContact SG-SG 2.9Å; Y53-C133 PolarHBondContact O-N 2.89Å; T54-C133 VanDerWaalsContact CA-SG 3.51Å; T54-C133 PolarHBondContact N-SG 3.06Å; T54-C133 PolarHBondContact O-SG 3.15Å; V131-C133 PolarHBondContact O-N 2.93Å; C133-K135 PolarHBondContact O-N 3.33Å; C133-K135 VanDerWaalsContact O-N 3.13Å
134	C	71.8	Confident	62.8	Low	31 Å²	31	67.2 Å²	67.2	21%	0.209	32%	0.323	C	S	.	.			trans	-66.5	110.5	155	-86	0	0	0	0	109.7	C22 Q26 C132 F136	C22-C134 VanDerWaalsContact C-SG 3.59Å; C22-C134 WeakPolarHBondContact CA-SG 3.24Å; C22-C134 HydrophobicContact CB-CB 4.21Å; C22-C134 WeakPolarHBondContact CB-SG 3.38Å; C22-C134 PolarHBondContact O-SG 3.47Å; C22-C134 WeakPolarHBondContact SG-CA 3.46Å; C22-C134 WeakPolarHBondContact SG-CB 3.45Å; C22-C134 CovalentContact SG-SG 2.03Å; C22-C134 PolarHBondContact SG-SG 2.74Å; Q26-C134 PolarHBondContact NE2-SG 2.85Å; C132-C134 PolarHBondContact O-N 3.39Å; C134-F136 PolarHBondContact O-N 3.27Å
135	K	49.4	Very low	60.4	Low	89 Å²	89	66 Å²	66	39%	0.387	32%	0.321	S	S	.	.			trans	-66.4	99.2	170.6	-81	-173.5	-179.8	177.7	0	108.5	Y18 Y53 C133 K137	Y18-K135 HydrophobicContact CE1-CB 4.34Å; Y53-K135 VanDerWaalsContact CE2-CE 3.48Å; C133-K135 PolarHBondContact O-N 3.33Å; C133-K135 VanDerWaalsContact O-N 3.13Å; K135-K137 HydrophobicContact CB-CB 4.5Å; K135-K137 PolarHBondContact O-N 2.84Å
136	F	39.9	Very low	57.8	Low	152 Å²	152	70.3 Å²	70.3	67%	0.667	34%	0.34	S	S	*	.			trans	-71.2	-4.2	147.6	-80.7	-79.3	0	0	0	111.9	C134 S138	C134-F136 PolarHBondContact O-N 3.27Å; F136-S138 VanDerWaalsContact C-N 3.27Å; F136-S138 PolarHBondContact O-N 3.24Å
137	K	32.5	Very low	55.3	Low	153 Å²	153	73 Å²	73	67%	0.665	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	74.5	174	-86	-170.6	173.1	-177.3	0	111.8	K135	K135-K137 HydrophobicContact CB-CB 4.5Å; K135-K137 PolarHBondContact O-N 2.84Å
138	S	33.8	Very low	52.7	Low	69 Å²	69	78.6 Å²	78.6	48%	0.483	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-176.1	-5.3	130.6	72.5	0	0	0	0	113.5	F136 F140 V141 Y142	F136-S138 VanDerWaalsContact C-N 3.27Å; F136-S138 PolarHBondContact O-N 3.24Å; S138-F140 PolarHBondContact O-N 2.97Å; S138-V141 PolarHBondContact O-N 3.27Å; S138-Y142 WeakPolarHBondContact O-CA 3.19Å; S138-Y142 WeakPolarHBondContact O-CB 3.02Å; S138-Y142 PolarHBondContact O-N 2.03Å
139	L	31.9	Very low	50.1	Low	89 Å²	89	87.8 Å²	87.8	47%	0.466	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-45.7	175.5	-135.7	87.2	0	0	0	110	Y143	L139-Y143 HydrophobicContact CG-CD2 4.25Å; L139-Y143 WeakPolarHBondContact O-CA 3.47Å; L139-Y143 WeakPolarHBondContact O-CB 3.23Å; L139-Y143 PolarHBondContact O-N 2.86Å
140	F	32.2	Very low	47.5	Very low	171 Å²	171	95.3 Å²	95.3	75%	0.75	45%	0.45	S	S	*	.	H	α-helix	trans	-77.2	-21.6	178.9	-73.5	-77.7	0	0	0	115.2	S138 G144	S138-F140 PolarHBondContact O-N 2.97Å; F140-G144 WeakPolarHBondContact O-CA 3.06Å; F140-G144 PolarHBondContact O-N 3.47Å
141	V	34.7	Very low	45.1	Very low	94 Å²	94	99 Å²	99	57%	0.57	47%	0.467	S	S	*	.	H	α-helix	trans	-84.3	-41.6	173.6	-178.9	0	0	0	0	110.1	S138 D145	S138-V141 PolarHBondContact O-N 3.27Å; V141-D145 VanDerWaalsContact O-CB 3.25Å; V141-D145 WeakPolarHBondContact O-CB 3.21Å; V141-D145 PolarHBondContact O-N 3.05Å
142	Y	30.7	Very low	42.9	Very low	149 Å²	149	102.2 Å²	102.2	58%	0.584	49%	0.489	S	S	*	.	H	α-helix	trans	-77.9	-36.1	-179.3	-151.8	-95.7	0	0	0	112.8	S138 K146	S138-Y142 WeakPolarHBondContact O-CA 3.19Å; S138-Y142 WeakPolarHBondContact O-CB 3.02Å; S138-Y142 PolarHBondContact O-N 2.03Å; Y142-K146 WeakPolarHBondContact O-CB 3.39Å; Y142-K146 PolarHBondContact O-N 3.15Å
143	Y	34.9	Very low	40.9	Very low	131 Å²	131	107 Å²	107	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-84.6	-30.1	168.7	-85.1	-98.8	0	0	0	113.1	L139 K146 I147	L139-Y143 HydrophobicContact CG-CD2 4.25Å; L139-Y143 WeakPolarHBondContact O-CA 3.47Å; L139-Y143 WeakPolarHBondContact O-CB 3.23Å; L139-Y143 PolarHBondContact O-N 2.86Å; Y143-K146 PolarHBondContact O-N 2.93Å; Y143-I147 HydrophobicContact CD1-CD1 4.35Å; Y143-I147 WeakPolarHBondContact O-CB 3.5Å; Y143-I147 WeakPolarHBondContact O-CD1 3.44Å; Y143-I147 WeakPolarHBondContact O-CG1 3.21Å; Y143-I147 PolarHBondContact O-N 3.37Å
144	G	34.4	Very low	39.3	Very low	22 Å²	22	112.5 Å²	112.5	23%	0.227	54%	0.541	C	S	.	.	H	α-helix	trans	-62.1	-45.4	172.3	0	0	0	0	0	111.5	F140 I147 L148	F140-G144 WeakPolarHBondContact O-CA 3.06Å; F140-G144 PolarHBondContact O-N 3.47Å; G144-I147 PolarHBondContact O-N 3.49Å; G144-L148 VanDerWaalsContact O-CB 3.25Å; G144-L148 WeakPolarHBondContact O-CB 3.05Å; G144-L148 WeakPolarHBondContact O-CG 3.32Å; G144-L148 PolarHBondContact O-N 3.38Å
145	D	35.1	Very low	38.1	Very low	97 Å²	97	117.7 Å²	117.7	52%	0.519	57%	0.565	S	S	.	*	H	α-helix	trans	-68.8	-34.7	175.7	-77.8	-24.7	0	0	0	112.7	V141 R149	V141-D145 VanDerWaalsContact O-CB 3.25Å; V141-D145 WeakPolarHBondContact O-CB 3.21Å; V141-D145 PolarHBondContact O-N 3.05Å; D145-R149 VanDerWaalsContact O-CB 3.23Å; D145-R149 WeakPolarHBondContact O-CB 3.42Å; D145-R149 WeakPolarHBondContact O-CG 3.37Å; D145-R149 PolarHBondContact O-N 3.03Å
146	K	36.3	Very low	37.6	Very low	122 Å²	122	122.6 Å²	122.6	53%	0.53	60%	0.595	S	S	.	*	H	α-helix	trans	-72.2	-37	174.7	-98	-177.6	176.7	176.6	0	112.9	Y142 Y143 K150	Y142-K146 WeakPolarHBondContact O-CB 3.39Å; Y142-K146 PolarHBondContact O-N 3.15Å; Y143-K146 PolarHBondContact O-N 2.93Å; K146-K150 VanDerWaalsContact O-CB 3.29Å; K146-K150 WeakPolarHBondContact O-CB 3.35Å; K146-K150 PolarHBondContact O-N 2.7Å
147	I	40.7	Very low	37.5	Very low	83 Å²	83	121.1 Å²	121.1	43%	0.426	59%	0.592	S	S	.	*	H	α-helix	trans	-72.9	-44	178.8	-70.6	168.4	0	0	0	109.2	Y143 G144 R149 K150 F151	Y143-I147 HydrophobicContact CD1-CD1 4.35Å; Y143-I147 WeakPolarHBondContact O-CB 3.5Å; Y143-I147 WeakPolarHBondContact O-CD1 3.44Å; Y143-I147 WeakPolarHBondContact O-CG1 3.21Å; Y143-I147 PolarHBondContact O-N 3.37Å; G144-I147 PolarHBondContact O-N 3.49Å; I147-R149 PolarHBondContact O-N 3.06Å; I147-K150 PolarHBondContact O-N 2.97Å; I147-K150 VanDerWaalsContact O-N 3.1Å; I147-F151 HydrophobicContact CG2-CD2 3.59Å; I147-F151 HydrophobicContact CG2-CE2 3.42Å; I147-F151 VanDerWaalsContact CG2-CE2 3.42Å; I147-F151 WeakPolarHBondContact O-CD2 3.45Å; I147-F151 PolarHBondContact O-N 2.83Å
148	L	38.8	Very low	37.8	Very low	118 Å²	118	119.4 Å²	119.4	62%	0.618	59%	0.588	S	S	*	*	H	α-helix	trans	-62.5	-42	173.4	-76.3	166.5	0	0	0	112.2	G144 K150 F151 S152	G144-L148 VanDerWaalsContact O-CB 3.25Å; G144-L148 WeakPolarHBondContact O-CB 3.05Å; G144-L148 WeakPolarHBondContact O-CG 3.32Å; G144-L148 PolarHBondContact O-N 3.38Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 3.27Å; L148-F151 PolarHBondContact O-N 2.86Å; L148-S152 WeakPolarHBondContact O-CB 3.05Å; L148-S152 PolarHBondContact O-N 3.44Å
149	R	38.3	Very low	38	Very low	193 Å²	193	122.2 Å²	122.2	73%	0.728	59%	0.594	S	S	*	*	H	α-helix	trans	-64.5	-31.2	172.5	-87.4	-179.5	149.2	168.9	-5.2	113.2	D145 I147 N153	D145-R149 VanDerWaalsContact O-CB 3.23Å; D145-R149 WeakPolarHBondContact O-CB 3.42Å; D145-R149 WeakPolarHBondContact O-CG 3.37Å; D145-R149 PolarHBondContact O-N 3.03Å; I147-R149 PolarHBondContact O-N 3.06Å; R149-N153 PolarHBondContact O-N 3.28Å
150	K	38.5	Very low	38.3	Very low	158 Å²	158	124.2 Å²	124.2	69%	0.687	60%	0.601	S	S	*	*	H	α-helix	trans	-75.8	-34.4	177.7	-150.5	172	-175	-172.9	0	111.7	K146 I147 L148 I154	K146-K150 VanDerWaalsContact O-CB 3.29Å; K146-K150 WeakPolarHBondContact O-CB 3.35Å; K146-K150 PolarHBondContact O-N 2.7Å; I147-K150 PolarHBondContact O-N 2.97Å; I147-K150 VanDerWaalsContact O-N 3.1Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 3.27Å; K150-I154 VanDerWaalsContact O-CD1 3.31Å; K150-I154 WeakPolarHBondContact O-CD1 3.27Å; K150-I154 VanDerWaalsContact O-CG1 3.28Å; K150-I154 WeakPolarHBondContact O-CG1 3.28Å
151	F	39.1	Very low	38.7	Very low	123 Å²	123	121.3 Å²	121.3	54%	0.539	59%	0.592	S	S	.	*	H	α-helix	trans	-73.1	-37.1	172.7	-78.6	-69.1	0	0	0	112.8	I147 L148 N153 I154 I155	I147-F151 HydrophobicContact CG2-CD2 3.59Å; I147-F151 HydrophobicContact CG2-CE2 3.42Å; I147-F151 VanDerWaalsContact CG2-CE2 3.42Å; I147-F151 WeakPolarHBondContact O-CD2 3.45Å; I147-F151 PolarHBondContact O-N 2.83Å; L148-F151 PolarHBondContact O-N 2.86Å; F151-N153 PolarHBondContact O-N 2.96Å; F151-I154 PolarHBondContact O-N 3.03Å; F151-I154 VanDerWaalsContact O-N 3.09Å; F151-I155 PolarHBondContact O-N 2.65Å
152	S	41.7	Very low	39	Very low	68 Å²	68	123.1 Å²	123.1	48%	0.476	59%	0.593	S	S	.	*	H	α-helix	trans	-64.9	-25.6	176	-165.8	0	0	0	0	113.3	L148	L148-S152 WeakPolarHBondContact O-CB 3.05Å; L148-S152 PolarHBondContact O-N 3.44Å
153	N	42.1	Very low	39.6	Very low	127 Å²	127	121.2 Å²	121.2	68%	0.679	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	3.7	176.1	-74	-1.9	0	0	0	113.7	R149 F151	R149-N153 PolarHBondContact O-N 3.28Å; F151-N153 PolarHBondContact O-N 2.96Å
154	I	47.4	Very low	39.9	Very low	124 Å²	124	120.5 Å²	120.5	64%	0.636	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-19.9	173.1	-66.3	165.6	0	0	0	110.7	K150 F151	K150-I154 VanDerWaalsContact O-CD1 3.31Å; K150-I154 WeakPolarHBondContact O-CD1 3.27Å; K150-I154 VanDerWaalsContact O-CG1 3.28Å; K150-I154 WeakPolarHBondContact O-CG1 3.28Å; F151-I154 PolarHBondContact O-N 3.03Å; F151-I154 VanDerWaalsContact O-N 3.09Å
155	I	46.6	Very low	40.4	Very low	140 Å²	140	128.7 Å²	128.7	72%	0.718	63%	0.631	S	S	*	*			trans	-94	-11.6	-178.7	-59.6	172.1	0	0	0	112.5	F151	F151-I155 PolarHBondContact O-N 2.65Å
156	N	40	Very low	40.9	Very low	191 Å²	191	131.5 Å²	131.5	100%	1.021	64%	0.642	S	S	*	*			trans	-113.5	0	169	-72.8	-22.8	0	0	0	110

Retrieved 156 of 156 residues in 744.4 ms (Link to these results)

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