B9EQ49_SALSA Loading...

Growth arrest and DNA damage-inducible protein GADD45 alpha

AlphaFold DB , UniProt , Accession B9EQ49, Species SALSA (Salmo salar, Atlantic salmon), Gene GA45A, Length 159 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	42.2	Very low	242 Å²	242	147.8 Å²	147.8	100%	1.192	77%	0.772	S	S	*	*				0	101.4	0	-132.8	117.5	155	0	0	107.3	K3	M1-K3 PolarHBondContact O-N 3.19Å; M1-K3 VanDerWaalsContact O-N 3.13Å
2	C	45.3	Very low	41.7	Very low	75 Å²	75	147.1 Å²	147.1	51%	0.507	77%	0.77	S	S	.	*			trans	-63.3	114.2	171.3	-58.3	0	0	0	0	106.2	M4 C146	C2-M4 VanDerWaalsContact C-N 3.33Å; C2-M4 PolarHBondContact O-N 2.8Å; C2-C146 HydrophobicContact CB-CB 3.99Å; C2-C146 WeakPolarHBondContact CB-SG 3.07Å; C2-C146 WeakPolarHBondContact SG-CB 3.5Å; C2-C146 CovalentContact SG-SG 2.09Å; C2-C146 PolarHBondContact SG-SG 3.44Å
3	K	39.5	Very low	41.7	Very low	194 Å²	194	148.4 Å²	148.4	84%	0.843	76%	0.76	S	S	*	*			trans	-74.3	91.1	179.2	-162.8	179.8	-176.7	-177.2	0	107	M1 T5	M1-K3 PolarHBondContact O-N 3.19Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-T5 PolarHBondContact O-N 3.3Å; K3-T5 VanDerWaalsContact O-N 3.15Å
4	M	45	Very low	42.8	Very low	153 Å²	153	142.1 Å²	142.1	75%	0.754	74%	0.736	S	S	*	*			trans	-71.9	99.9	171.7	-70.6	177	-175.8	0	0	108	C2 F6	C2-M4 VanDerWaalsContact C-N 3.33Å; C2-M4 PolarHBondContact O-N 2.8Å; M4-F6 PolarHBondContact O-N 3.44Å
5	T	47.8	Very low	43.7	Very low	107 Å²	107	136.6 Å²	136.6	66%	0.656	72%	0.72	S	S	*	*			trans	-86.2	100.8	157.3	44.2	0	0	0	0	106.8	K3 E7	K3-T5 PolarHBondContact O-N 3.3Å; K3-T5 VanDerWaalsContact O-N 3.15Å; T5-E7 PolarHBondContact O-N 3.5Å
6	F	41	Very low	44.6	Very low	208 Å²	208	136.4 Å²	136.4	91%	0.912	71%	0.714	S	S	*	*			trans	-68.8	67.1	170.3	-176.2	-96.7	0	0	0	109.1	M4	M4-F6 PolarHBondContact O-N 3.44Å
7	E	43.2	Very low	46.2	Very low	166 Å²	166	136.2 Å²	136.2	78%	0.776	70%	0.701	S	S	*	*			trans	-132	110.1	170.8	-78.1	-176.5	107.9	0	0	109.4	T5	T5-E7 PolarHBondContact O-N 3.5Å
8	E	42.4	Very low	48.1	Very low	173 Å²	173	133.3 Å²	133.3	81%	0.808	69%	0.686	S	S	*	*			trans	81.8	95.3	151.4	-53.3	-157.7	101.7	0	0	119.6	S10	E8-S10 PolarHBondContact O-N 3.17Å
9	L	43.4	Very low	49.8	Very low	181 Å²	181	129.3 Å²	129.3	95%	0.948	67%	0.665	S	S	*	*			trans	-48.7	115.5	144.8	-72.9	131.4	0	0	0	110.3
10	S	39.7	Very low	51.7	Low	63 Å²	63	125 Å²	125	44%	0.441	65%	0.645	S	S	.	*			trans	-148.7	103.5	158.2	-77.5	0	0	0	0	108.4	E8 D12 Y13	E8-S10 PolarHBondContact O-N 3.17Å; S10-D12 PolarHBondContact O-N 3.4Å; S10-Y13 PolarHBondContact O-N 3.18Å
11	G	40.5	Very low	53.5	Low	64 Å²	64	119.4 Å²	119.4	66%	0.66	62%	0.617	S	S	*	*	H	α-helix	trans	-61.8	-4.4	-175.5	0	0	0	0	0	115.8	S14	G11-S14 PolarHBondContact O-OG 3.26Å; G11-S14 VanDerWaalsContact O-OG 3.1Å
12	D	36.4	Very low	56	Low	139 Å²	139	108 Å²	108	74%	0.743	56%	0.561	S	S	*	*	H	α-helix	trans	-84.1	-34.4	171.3	-111.6	-64.9	0	0	0	112.6	S10 S14	S10-D12 PolarHBondContact O-N 3.4Å; D12-S14 PolarHBondContact O-N 3.2Å
13	Y	41	Very low	58.1	Low	164 Å²	164	110 Å²	110	64%	0.643	56%	0.561	S	S	*	*	H	α-helix	trans	-74.1	-25.8	179.9	-78.3	-90.5	0	0	0	112.7	S10 R17	S10-Y13 PolarHBondContact O-N 3.18Å; Y13-R17 WeakPolarHBondContact O-CB 3.31Å; Y13-R17 WeakPolarHBondContact O-CG 3.43Å; Y13-R17 PolarHBondContact O-N 3.06Å
14	S	57.4	Low	60.5	Low	60 Å²	60	101 Å²	101	42%	0.42	52%	0.523	S	S	.	.	H	α-helix	trans	-67.6	-40.3	178	41.5	0	0	0	0	112.4	G11 D12 R17 M18	G11-S14 PolarHBondContact O-OG 3.26Å; G11-S14 VanDerWaalsContact O-OG 3.1Å; D12-S14 PolarHBondContact O-N 3.2Å; S14-R17 PolarHBondContact O-N 3.33Å; S14-M18 WeakPolarHBondContact O-CB 3.41Å; S14-M18 WeakPolarHBondContact O-CG 3.43Å; S14-M18 PolarHBondContact O-N 3.16Å
15	A	56.4	Low	62.7	Low	60 Å²	60	93.7 Å²	93.7	50%	0.496	49%	0.487	S	S	.	.	H	α-helix	trans	-70.8	-44.9	-177.9	0	0	0	0	0	111.7	R17 M18 D19	A15-R17 VanDerWaalsContact C-N 3.33Å; A15-R17 PolarHBondContact O-N 3.4Å; A15-M18 PolarHBondContact O-N 3.06Å; A15-D19 PolarHBondContact O-N 3.06Å
16	E	58.2	Low	64.7	Low	133 Å²	133	90.6 Å²	90.6	62%	0.621	47%	0.465	S	S	*	.	H	α-helix	trans	-63.4	-40.4	175.1	-168.2	-178.5	89.1	0	0	111.2	M18 D19 T20	E16-M18 PolarHBondContact O-N 3.35Å; E16-D19 PolarHBondContact O-N 3.3Å; E16-T20 HydrophobicContact CG-CG2 4.49Å; E16-T20 WeakPolarHBondContact O-CB 3.08Å; E16-T20 WeakPolarHBondContact O-CG2 3.47Å; E16-T20 PolarHBondContact O-N 3.13Å; E16-T20 PolarHBondContact O-OG1 2.94Å
17	R	72	Confident	67	Low	133 Å²	133	85.5 Å²	85.5	50%	0.502	44%	0.444	S	S	.	.	H	α-helix	trans	-61.2	-43.9	172.9	-75.7	-179.4	70.6	-166.2	-1.1	111.8	Y13 S14 A15 T20 V21 E143	Y13-R17 WeakPolarHBondContact O-CB 3.31Å; Y13-R17 WeakPolarHBondContact O-CG 3.43Å; Y13-R17 PolarHBondContact O-N 3.06Å; S14-R17 PolarHBondContact O-N 3.33Å; A15-R17 VanDerWaalsContact C-N 3.33Å; A15-R17 PolarHBondContact O-N 3.4Å; R17-T20 PolarHBondContact O-N 3.38Å; R17-T20 PolarHBondContact O-OG1 2.95Å; R17-V21 VanDerWaalsContact O-CG2 3.26Å; R17-V21 WeakPolarHBondContact O-CG2 3.38Å; R17-V21 PolarHBondContact O-N 3.32Å; R17-E143 IonicContact CZ-OE2 3.86Å; R17-E143 IonicContact NH2-OE2 2.69Å; R17-E143 PolarHBondContact NH2-OE2 3.49Å
18	M	80.2	Confident	69.2	Low	85 Å²	85	77.6 Å²	77.6	42%	0.419	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-43.7	179.2	-74.4	171.8	70.3	0	0	112.6	S14 A15 E16 T20 V21 A22	S14-M18 WeakPolarHBondContact O-CB 3.41Å; S14-M18 WeakPolarHBondContact O-CG 3.43Å; S14-M18 PolarHBondContact O-N 3.16Å; A15-M18 PolarHBondContact O-N 3.06Å; E16-M18 PolarHBondContact O-N 3.35Å; M18-T20 VanDerWaalsContact C-N 3.29Å; M18-T20 PolarHBondContact O-N 3.24Å; M18-V21 PolarHBondContact O-N 3.47Å; M18-A22 WeakPolarHBondContact O-CB 3.37Å; M18-A22 PolarHBondContact O-N 3.33Å
19	D	81.4	Confident	71.4	Confident	56 Å²	56	69.3 Å²	69.3	30%	0.299	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-43.1	174.7	173.2	-97.4	0	0	0	111.1	A15 E16 V21 A22 K23	A15-D19 PolarHBondContact O-N 3.06Å; E16-D19 PolarHBondContact O-N 3.3Å; D19-V21 VanDerWaalsContact C-N 3.28Å; D19-V21 PolarHBondContact O-N 2.9Å; D19-A22 PolarHBondContact O-N 2.98Å; D19-K23 WeakPolarHBondContact O-CG 3.36Å; D19-K23 PolarHBondContact O-N 2.82Å; D19-K23 WeakPolarHBondContact OD1-CD 3.37Å; D19-K23 WeakPolarHBondContact OD1-CE 3.46Å; D19-K23 IonicContact OD1-NZ 2.66Å; D19-K23 PolarHBondContact OD1-NZ 2.9Å; D19-K23 IonicContact OD2-NZ 3.61Å
20	T	87.2	Confident	73.5	Confident	43 Å²	43	63.5 Å²	63.5	26%	0.264	34%	0.343	S	S	.	.	H	α-helix	trans	-74	-18.5	-179.4	73.5	0	0	0	0	113.7	E16 R17 M18 A24 K136	E16-T20 HydrophobicContact CG-CG2 4.49Å; E16-T20 WeakPolarHBondContact O-CB 3.08Å; E16-T20 WeakPolarHBondContact O-CG2 3.47Å; E16-T20 PolarHBondContact O-N 3.13Å; E16-T20 PolarHBondContact O-OG1 2.94Å; R17-T20 PolarHBondContact O-N 3.38Å; R17-T20 PolarHBondContact O-OG1 2.95Å; M18-T20 VanDerWaalsContact C-N 3.29Å; M18-T20 PolarHBondContact O-N 3.24Å; T20-A24 WeakPolarHBondContact O-CB 3.41Å; T20-A24 PolarHBondContact O-N 3.48Å; T20-K136 WeakPolarHBondContact O-CE 3.46Å; T20-K136 PolarHBondContact O-NZ 2.97Å; T20-K136 WeakPolarHBondContact OG1-CE 3.05Å; T20-K136 PolarHBondContact OG1-NZ 3.4Å
21	V	89	Confident	75.7	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.055	34%	0.338	C	S	.	.	H	α-helix	trans	-82	-39.2	169.2	177.4	0	0	0	0	110	R17 M18 D19 A24 L25 V137 F140 I154	R17-V21 VanDerWaalsContact O-CG2 3.26Å; R17-V21 WeakPolarHBondContact O-CG2 3.38Å; R17-V21 PolarHBondContact O-N 3.32Å; M18-V21 PolarHBondContact O-N 3.47Å; D19-V21 VanDerWaalsContact C-N 3.28Å; D19-V21 PolarHBondContact O-N 2.9Å; V21-A24 WeakPolarHBondContact O-CB 3.4Å; V21-A24 PolarHBondContact O-N 3.22Å; V21-L25 PolarHBondContact O-N 2.9Å; V21-V137 HydrophobicContact CG1-CG2 4.34Å; V21-F140 HydrophobicContact CG1-CB 4.01Å; V21-F140 HydrophobicContact CG1-CD1 3.85Å; V21-F140 HydrophobicContact CG1-CE1 4.43Å; V21-F140 HydrophobicContact CG1-CG 3.87Å; V21-F140 HydrophobicContact CG2-CB 4.1Å; V21-F140 HydrophobicContact CG2-CD2 4.19Å; V21-F140 HydrophobicContact CG2-CG 4.16Å; V21-I154 HydrophobicContact CG1-CD1 3.71Å
22	A	89	Confident	77.9	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-43.7	174.9	0	0	0	0	0	111.8	M18 D19 A24 L25 E26 I154	M18-A22 WeakPolarHBondContact O-CB 3.37Å; M18-A22 PolarHBondContact O-N 3.33Å; D19-A22 PolarHBondContact O-N 2.98Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 3.4Å; A22-L25 WeakPolarHBondContact O-CB 3.42Å; A22-L25 PolarHBondContact O-N 2.83Å; A22-E26 PolarHBondContact O-N 2.85Å; A22-I154 HydrophobicContact CB-CG2 3.76Å
23	K	88.4	Confident	80.3	Confident	117 Å²	117	57.4 Å²	57.4	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-41.4	172.3	-74.2	171.6	178.6	161.6	0	112.4	D19 L25 E26 E27	D19-K23 WeakPolarHBondContact O-CG 3.36Å; D19-K23 PolarHBondContact O-N 2.82Å; D19-K23 WeakPolarHBondContact OD1-CD 3.37Å; D19-K23 WeakPolarHBondContact OD1-CE 3.46Å; D19-K23 IonicContact OD1-NZ 2.66Å; D19-K23 PolarHBondContact OD1-NZ 2.9Å; D19-K23 IonicContact OD2-NZ 3.61Å; K23-L25 VanDerWaalsContact C-N 3.31Å; K23-L25 PolarHBondContact O-N 3.14Å; K23-E26 PolarHBondContact O-N 2.74Å; K23-E27 WeakPolarHBondContact O-CB 3.34Å; K23-E27 PolarHBondContact O-N 3.48Å
24	A	90.8	Very high	82.3	Confident	5 Å²	5	54.6 Å²	54.6	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-38.5	176.3	0	0	0	0	0	111.7	T20 V21 A22 E27 V28 A133 K136 V137	T20-A24 WeakPolarHBondContact O-CB 3.41Å; T20-A24 PolarHBondContact O-N 3.48Å; V21-A24 WeakPolarHBondContact O-CB 3.4Å; V21-A24 PolarHBondContact O-N 3.22Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 3.4Å; A24-E27 PolarHBondContact O-N 2.8Å; A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.06Å; A24-V28 PolarHBondContact O-N 2.81Å; A24-A133 HydrophobicContact CB-CB 3.76Å; A24-A133 WeakPolarHBondContact O-CB 3.5Å; A24-K136 HydrophobicContact CB-CB 4.47Å; A24-K136 HydrophobicContact CB-CD 4.13Å; A24-V137 HydrophobicContact CB-CG2 4.12Å
25	L	90.8	Very high	83.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-44.8	174.6	-177.9	62.9	0	0	0	111.8	V21 A22 K23 E27 V28 L29 L58 I60 L92 V94 V137 I154 L156	V21-L25 PolarHBondContact O-N 2.9Å; A22-L25 WeakPolarHBondContact O-CB 3.42Å; A22-L25 PolarHBondContact O-N 2.83Å; K23-L25 VanDerWaalsContact C-N 3.31Å; K23-L25 PolarHBondContact O-N 3.14Å; L25-E27 VanDerWaalsContact C-N 3.32Å; L25-E27 PolarHBondContact O-N 2.92Å; L25-V28 PolarHBondContact O-N 2.9Å; L25-L29 HydrophobicContact CG-CD1 4.39Å; L25-L29 WeakPolarHBondContact O-CG 3.05Å; L25-L29 PolarHBondContact O-N 2.82Å; L25-L58 HydrophobicContact CD1-CD2 3.81Å; L25-I60 HydrophobicContact CD1-CD1 3.73Å; L25-I60 HydrophobicContact CD1-CG1 4.23Å; L25-L92 HydrophobicContact CD1-CD2 4.22Å; L25-L92 HydrophobicContact CD2-CD1 3.89Å; L25-L92 HydrophobicContact CD2-CD2 4.41Å; L25-V94 HydrophobicContact CD2-CG2 3.95Å; L25-V137 HydrophobicContact CB-CG2 4.26Å; L25-I154 HydrophobicContact CD2-CD1 4.34Å; L25-L156 HydrophobicContact CD2-CD2 4.18Å
26	E	89.3	Confident	84.7	Confident	42 Å²	42	56.9 Å²	56.9	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-42.4	175.2	179.7	170.8	129.7	0	0	111.5	A22 K23 L29 S30 R99 I103	A22-E26 PolarHBondContact O-N 2.85Å; K23-E26 PolarHBondContact O-N 2.74Å; E26-L29 PolarHBondContact O-N 2.93Å; E26-S30 WeakPolarHBondContact O-CB 3.18Å; E26-S30 PolarHBondContact O-N 2.99Å; E26-S30 PolarHBondContact O-OG 3.36Å; E26-R99 IonicContact OE1-NH2 3.71Å; E26-R99 PolarHBondContact OE1-NH2 2.85Å; E26-R99 IonicContact OE2-CZ 3.74Å; E26-R99 IonicContact OE2-NE 3.54Å; E26-R99 IonicContact OE2-NH2 2.83Å; E26-R99 PolarHBondContact OE2-NH2 2.9Å; E26-I103 HydrophobicContact CB-CD1 4.02Å; E26-I103 HydrophobicContact CG-CD1 3.72Å; E26-I103 HydrophobicContact CG-CG1 3.91Å; E26-I103 HydrophobicContact CG-CG2 4.29Å
27	E	89.4	Confident	86.2	Confident	101 Å²	101	51 Å²	51	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-45.6	176.8	-172.8	173.9	-178.4	0	0	111.9	K23 A24 L25 L29 S30 L31 A133	K23-E27 WeakPolarHBondContact O-CB 3.34Å; K23-E27 PolarHBondContact O-N 3.48Å; A24-E27 PolarHBondContact O-N 2.8Å; L25-E27 VanDerWaalsContact C-N 3.32Å; L25-E27 PolarHBondContact O-N 2.92Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.67Å; E27-S30 PolarHBondContact O-N 3.38Å; E27-L31 HydrophobicContact CG-CD1 4.03Å; E27-L31 WeakPolarHBondContact O-CB 3.3Å; E27-L31 VanDerWaalsContact O-CG 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.34Å; E27-L31 PolarHBondContact O-N 3.48Å; E27-A133 HydrophobicContact CB-CB 4.16Å; E27-A133 HydrophobicContact CG-CB 4.25Å
28	V	90.2	Very high	87	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-48.1	176	169	0	0	0	0	111.1	A24 L25 L31 A32 L58 V121 A133 L134	A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.06Å; A24-V28 PolarHBondContact O-N 2.81Å; L25-V28 PolarHBondContact O-N 2.9Å; V28-L31 PolarHBondContact O-N 2.87Å; V28-A32 VanDerWaalsContact O-CB 3.22Å; V28-A32 WeakPolarHBondContact O-CB 3.17Å; V28-A32 PolarHBondContact O-N 2.88Å; V28-L58 HydrophobicContact CG1-CD2 4.44Å; V28-V121 HydrophobicContact CG1-CG1 4.39Å; V28-V121 HydrophobicContact CG1-CG2 4.36Å; V28-A133 HydrophobicContact CG2-CB 3.92Å; V28-L134 HydrophobicContact CG1-CD1 4.12Å; V28-L134 HydrophobicContact CG2-CB 3.84Å; V28-L134 HydrophobicContact CG2-CD1 4.39Å; V28-L134 VanDerWaalsContact CG2-N 3.25Å
29	L	89.2	Confident	87.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-42.9	179.6	-70.2	173.8	0	0	0	111.7	L25 E26 E27 L31 A32 L33 I38 I60 L100 I103 L104 V119 V121	L25-L29 HydrophobicContact CG-CD1 4.39Å; L25-L29 WeakPolarHBondContact O-CG 3.05Å; L25-L29 PolarHBondContact O-N 2.82Å; E26-L29 PolarHBondContact O-N 2.93Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.67Å; L29-L31 VanDerWaalsContact C-N 3.27Å; L29-L31 PolarHBondContact O-N 2.8Å; L29-A32 PolarHBondContact O-N 2.89Å; L29-L33 WeakPolarHBondContact O-CB 3.3Å; L29-L33 PolarHBondContact O-N 3.35Å; L29-I38 HydrophobicContact CD2-CD1 4.11Å; L29-I38 WeakPolarHBondContact O-CD1 3.23Å; L29-I60 HydrophobicContact CD1-CD1 4.19Å; L29-I60 HydrophobicContact CD2-CD1 3.7Å; L29-I60 HydrophobicContact CG-CD1 4.23Å; L29-L100 HydrophobicContact CD1-CD1 3.43Å; L29-L100 VanDerWaalsContact CD1-CD1 3.43Å; L29-I103 HydrophobicContact CB-CG2 3.68Å; L29-I103 HydrophobicContact CD1-CG2 4.23Å; L29-L104 HydrophobicContact CD2-CD2 4.36Å; L29-V119 HydrophobicContact CD2-CG1 4.16Å; L29-V121 HydrophobicContact CD2-CG2 4.18Å
30	S	86.8	Confident	88	Confident	59 Å²	59	43.1 Å²	43.1	41%	0.413	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-32.5	178.5	-59.1	0	0	0	0	112.6	E26 E27 P34	E26-S30 WeakPolarHBondContact O-CB 3.18Å; E26-S30 PolarHBondContact O-N 2.99Å; E26-S30 PolarHBondContact O-OG 3.36Å; E27-S30 PolarHBondContact O-N 3.38Å; S30-P34 WeakPolarHBondContact O-CD 3.3Å
31	L	86.4	Confident	88.1	Confident	65 Å²	65	41.1 Å²	41.1	34%	0.34	24%	0.236	S	C	.	.	H	α-helix	trans	-81.8	-34.8	176.6	-69.1	173.2	0	0	0	112.8	E27 V28 L29 P34 Q35 W129 D131	E27-L31 HydrophobicContact CG-CD1 4.03Å; E27-L31 WeakPolarHBondContact O-CB 3.3Å; E27-L31 VanDerWaalsContact O-CG 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.34Å; E27-L31 PolarHBondContact O-N 3.48Å; V28-L31 PolarHBondContact O-N 2.87Å; L29-L31 VanDerWaalsContact C-N 3.27Å; L29-L31 PolarHBondContact O-N 2.8Å; L31-P34 WeakPolarHBondContact O-CD 3.4Å; L31-P34 WeakPolarHBondContact O-CG 3.46Å; L31-Q35 WeakPolarHBondContact O-CG 3.22Å; L31-Q35 PolarHBondContact O-NE2 2.75Å; L31-W129 HydrophobicContact CB-CH2 4.33Å; L31-W129 HydrophobicContact CB-CZ2 4.04Å; L31-D131 WeakPolarHBondContact CD1-OD2 3.43Å
32	A	86.8	Confident	88.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-76.7	-30.5	-178.7	0	0	0	0	0	113.7	V28 L29 Q35 G36 C37 I38 V121 W129	V28-A32 VanDerWaalsContact O-CB 3.22Å; V28-A32 WeakPolarHBondContact O-CB 3.17Å; V28-A32 PolarHBondContact O-N 2.88Å; L29-A32 PolarHBondContact O-N 2.89Å; A32-Q35 PolarHBondContact O-N 3.31Å; A32-G36 PolarHBondContact O-N 2.92Å; A32-C37 HydrophobicContact CB-CB 4.38Å; A32-C37 PolarHBondContact O-N 3.12Å; A32-I38 HydrophobicContact CB-CD1 3.74Å; A32-I38 HydrophobicContact CB-CG1 3.51Å; A32-V121 HydrophobicContact CB-CG1 3.89Å; A32-W129 VanDerWaalsContact CA-CH2 3.44Å; A32-W129 HydrophobicContact CB-CH2 3.69Å; A32-W129 HydrophobicContact CB-CZ2 4.07Å
33	L	85.4	Confident	88.2	Confident	72 Å²	72	49.1 Å²	49.1	38%	0.377	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-54.9	178.9	-171	70.6	0	0	0	113.1	L29 Q35 G36 I38 L104	L29-L33 WeakPolarHBondContact O-CB 3.3Å; L29-L33 PolarHBondContact O-N 3.35Å; L33-Q35 PolarHBondContact O-N 2.94Å; L33-G36 PolarHBondContact O-N 3.27Å; L33-I38 HydrophobicContact CB-CD1 3.87Å; L33-I38 HydrophobicContact CD1-CD1 4.21Å; L33-I38 VanDerWaalsContact N-CD1 3.31Å; L33-L104 HydrophobicContact CD1-CD2 4.1Å
34	P	83.2	Confident	88.3	Confident	105 Å²	105	47.8 Å²	47.8	68%	0.682	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.8	-179.5	28.3	-36.8	0	0	0	113.8	S30 L31 G36	S30-P34 WeakPolarHBondContact O-CD 3.3Å; L31-P34 WeakPolarHBondContact O-CD 3.4Å; L31-P34 WeakPolarHBondContact O-CG 3.46Å; P34-G36 VanDerWaalsContact C-N 3.29Å
35	Q	82.1	Confident	88.3	Confident	104 Å²	104	47.5 Å²	47.5	49%	0.486	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.8	178.3	-66	-178.5	61.3	0	0	112.6	L31 A32 L33 C37 W129	L31-Q35 WeakPolarHBondContact O-CG 3.22Å; L31-Q35 PolarHBondContact O-NE2 2.75Å; A32-Q35 PolarHBondContact O-N 3.31Å; L33-Q35 PolarHBondContact O-N 2.94Å; Q35-C37 HydrophobicContact CB-CB 4.49Å; Q35-C37 PolarHBondContact O-N 3.34Å; Q35-W129 HydrophobicContact CB-CZ3 4.26Å; Q35-W129 HydrophobicContact CG-CZ3 4.35Å; Q35-W129 VanDerWaalsContact NE2-CZ3 3.35Å
36	G	83.5	Confident	88.4	Confident	65 Å²	65	49.3 Å²	49.3	67%	0.67	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	22.3	-176.4	0	0	0	0	0	112.8	A32 L33 P34 I38	A32-G36 PolarHBondContact O-N 2.92Å; L33-G36 PolarHBondContact O-N 3.27Å; P34-G36 VanDerWaalsContact C-N 3.29Å; G36-I38 VanDerWaalsContact C-N 3.32Å
37	C	88.1	Confident	88.5	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.054	29%	0.294	C	S	.	.			trans	-94	13.4	-178	-61.3	0	0	0	0	112.6	A32 Q35 V121 T122 W129	A32-C37 HydrophobicContact CB-CB 4.38Å; A32-C37 PolarHBondContact O-N 3.12Å; Q35-C37 HydrophobicContact CB-CB 4.49Å; Q35-C37 PolarHBondContact O-N 3.34Å; C37-V121 WeakPolarHBondContact O-CA 3.39Å; C37-T122 WeakPolarHBondContact CA-OG1 3.45Å; C37-T122 WeakPolarHBondContact CB-O 3.41Å; C37-T122 PolarHBondContact O-N 2.99Å; C37-T122 PolarHBondContact O-OG1 3.36Å; C37-W129 HydrophobicContact CB-CZ3 4.26Å
38	I	90.3	Very high	88.6	Confident	28 Å²	28	50.7 Å²	50.7	14%	0.144	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.5	-179.5	-58.9	-175.1	0	0	0	110.3	L29 A32 L33 G36 V40 L104 V119 L120	L29-I38 HydrophobicContact CD2-CD1 4.11Å; L29-I38 WeakPolarHBondContact O-CD1 3.23Å; A32-I38 HydrophobicContact CB-CD1 3.74Å; A32-I38 HydrophobicContact CB-CG1 3.51Å; L33-I38 HydrophobicContact CB-CD1 3.87Å; L33-I38 HydrophobicContact CD1-CD1 4.21Å; L33-I38 VanDerWaalsContact N-CD1 3.31Å; G36-I38 VanDerWaalsContact C-N 3.32Å; I38-V40 HydrophobicContact CG2-CG2 3.8Å; I38-L104 HydrophobicContact CD1-CD2 3.71Å; I38-L104 HydrophobicContact CG2-CD2 4.25Å; I38-V119 HydrophobicContact CG2-CG1 3.47Å; I38-V119 VanDerWaalsContact CG2-CG1 3.47Å; I38-L120 CarbonylContact C-O 3.43Å; I38-L120 VanDerWaalsContact CA-O 3.3Å; I38-L120 WeakPolarHBondContact CA-O 3.36Å
39	T	91	Very high	88.7	Confident	32 Å²	32	50.9 Å²	50.9	20%	0.196	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.4	165.3	-56.6	0	0	0	0	108.8	E44 V119 L120	T39-E44 HydrophobicContact CG2-CB 3.53Å; T39-V119 CarbonylContact O-C 3.58Å; T39-V119 VanDerWaalsContact O-CA 3.3Å; T39-V119 WeakPolarHBondContact O-CA 3.25Å; T39-L120 PolarHBondContact N-O 2.81Å; T39-L120 PolarHBondContact O-N 3.13Å
40	V	90.6	Very high	88.8	Confident	50 Å²	50	57.2 Å²	57.2	30%	0.303	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.6	-178.5	179.6	0	0	0	0	108.3	I38 L104 D115 L116 V119	I38-V40 HydrophobicContact CG2-CG2 3.8Å; V40-L104 HydrophobicContact CG2-CD1 4.17Å; V40-D115 VanDerWaalsContact CG1-O 3.3Å; V40-D115 WeakPolarHBondContact CG1-O 3.35Å; V40-L116 HydrophobicContact CG1-CD2 3.6Å; V40-L116 HydrophobicContact CG1-CG 4.44Å; V40-V119 HydrophobicContact CG2-CG1 4.45Å; V40-V119 HydrophobicContact CG2-CG2 4.42Å
41	G	90	Very high	89	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.01	33%	0.331	C	S	.	.	S	Bend	trans	113.1	141.6	-178	0	0	0	0	0	112.3	Y43 A45 D115 C118	G41-Y43 VanDerWaalsContact C-N 3.33Å; G41-A45 WeakPolarHBondContact O-CB 3.33Å; G41-A45 PolarHBondContact O-N 3.28Å; G41-D115 WeakPolarHBondContact CA-O 3.47Å; G41-D115 PolarHBondContact N-O 2.82Å; G41-D115 VanDerWaalsContact N-O 3.14Å; G41-C118 PolarHBondContact N-O 3.48Å
42	V	90.8	Very high	89.1	Confident	8 Å²	8	60 Å²	60	5%	0.048	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-41.2	179.2	175.9	0	0	0	0	110.6	A46 L73 H76 F77 I80 D115 H117 C118	V42-A46 WeakPolarHBondContact O-CB 3.44Å; V42-A46 PolarHBondContact O-N 3.09Å; V42-L73 HydrophobicContact CG2-CD1 3.79Å; V42-H76 HydrophobicContact CG1-CB 3.46Å; V42-H76 VanDerWaalsContact CG1-CB 3.46Å; V42-F77 HydrophobicContact CG2-CE1 4.12Å; V42-I80 HydrophobicContact CG1-CD1 3.91Å; V42-D115 WeakPolarHBondContact CB-OD2 3.28Å; V42-D115 PolarHBondContact N-OD2 3.27Å; V42-H117 HydrophobicContact CG2-CB 3.66Å; V42-C118 HydrophobicContact CB-CB 4.41Å; V42-C118 HydrophobicContact CG2-CB 3.9Å
43	Y	89.4	Confident	89.2	Confident	169 Å²	169	61.4 Å²	61.4	66%	0.663	34%	0.342	S	S	*	.	H	α-helix	trans	-72.4	-45.3	-178.3	-173.1	-103.2	0	0	0	111.8	G41 A45 A46 K47	G41-Y43 VanDerWaalsContact C-N 3.33Å; Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.13Å; Y43-A46 PolarHBondContact O-N 3.33Å; Y43-K47 WeakPolarHBondContact O-CB 3.48Å; Y43-K47 PolarHBondContact O-N 2.86Å
44	E	90.2	Very high	89.3	Confident	89 Å²	89	65.2 Å²	65.2	42%	0.416	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-39.9	176.8	-69.6	65.9	-149.8	0	0	111	T39 K47 S48	T39-E44 HydrophobicContact CG2-CB 3.53Å; E44-K47 PolarHBondContact O-N 3.12Å; E44-S48 WeakPolarHBondContact O-CB 3.33Å; E44-S48 PolarHBondContact O-N 3.16Å; E44-S48 PolarHBondContact O-OG 3.03Å
45	A	91.7	Very high	89.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.6	-51.7	173.7	0	0	0	0	0	111.5	G41 Y43 K47 S48 L49 C118 L120	G41-A45 WeakPolarHBondContact O-CB 3.33Å; G41-A45 PolarHBondContact O-N 3.28Å; Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.13Å; A45-K47 VanDerWaalsContact C-N 3.27Å; A45-K47 PolarHBondContact O-N 3.13Å; A45-S48 PolarHBondContact O-N 3.2Å; A45-S48 VanDerWaalsContact O-N 3.13Å; A45-L49 WeakPolarHBondContact O-CB 3.46Å; A45-L49 WeakPolarHBondContact O-CG 3.21Å; A45-L49 PolarHBondContact O-N 3.49Å; A45-C118 HydrophobicContact CB-CB 4.04Å; A45-C118 WeakPolarHBondContact CB-SG 3.48Å; A45-L120 VanDerWaalsContact CA-CD1 3.46Å; A45-L120 HydrophobicContact CB-CD1 3.65Å; A45-L120 HydrophobicContact CB-CD2 4.21Å; A45-L120 HydrophobicContact CB-CG 3.63Å; A45-L120 WeakPolarHBondContact O-CD1 3.38Å
46	A	91.6	Very high	90	Very high	38 Å²	38	57.1 Å²	57.1	31%	0.314	32%	0.317	S	S	.	.	H	α-helix	trans	-58.6	-40.2	178.1	0	0	0	0	0	112	V42 Y43 N50	V42-A46 WeakPolarHBondContact O-CB 3.44Å; V42-A46 PolarHBondContact O-N 3.09Å; Y43-A46 PolarHBondContact O-N 3.33Å; A46-N50 WeakPolarHBondContact O-CB 3.35Å; A46-N50 PolarHBondContact O-N 3.29Å
47	K	91.8	Very high	90.4	Very high	136 Å²	136	55.7 Å²	55.7	59%	0.591	30%	0.295	S	S	*	.	H	α-helix	trans	-63	-45.6	175.2	-175.4	-179.2	178	-175.7	0	111.8	Y43 E44 A45 N50 V51	Y43-K47 WeakPolarHBondContact O-CB 3.48Å; Y43-K47 PolarHBondContact O-N 2.86Å; E44-K47 PolarHBondContact O-N 3.12Å; A45-K47 VanDerWaalsContact C-N 3.27Å; A45-K47 PolarHBondContact O-N 3.13Å; K47-N50 PolarHBondContact O-N 3.03Å; K47-V51 VanDerWaalsContact O-CG2 3.31Å; K47-V51 WeakPolarHBondContact O-CG2 3.42Å; K47-V51 PolarHBondContact O-N 2.87Å
48	S	91.5	Very high	90.6	Very high	35 Å²	35	55.3 Å²	55.3	25%	0.245	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-42.9	-178.9	-58.3	0	0	0	0	111.7	E44 A45 N50 V51 D52	E44-S48 WeakPolarHBondContact O-CB 3.33Å; E44-S48 PolarHBondContact O-N 3.16Å; E44-S48 PolarHBondContact O-OG 3.03Å; A45-S48 PolarHBondContact O-N 3.2Å; A45-S48 VanDerWaalsContact O-N 3.13Å; S48-N50 VanDerWaalsContact C-N 3.26Å; S48-N50 PolarHBondContact O-N 3.32Å; S48-V51 PolarHBondContact O-N 2.85Å; S48-V51 VanDerWaalsContact O-N 3.16Å; S48-D52 PolarHBondContact O-N 2.81Å
49	L	92.4	Very high	90.9	Very high	4 Å²	4	54 Å²	54	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-36.3	173.3	-74.3	167.8	0	0	0	112.4	A45 P53 V56 I80 F83 I89 L120	A45-L49 WeakPolarHBondContact O-CB 3.46Å; A45-L49 WeakPolarHBondContact O-CG 3.21Å; A45-L49 PolarHBondContact O-N 3.49Å; L49-P53 WeakPolarHBondContact O-CB 3.49Å; L49-P53 WeakPolarHBondContact O-CD 3.41Å; L49-V56 HydrophobicContact CD2-CB 4.22Å; L49-V56 HydrophobicContact CD2-CG1 4.14Å; L49-V56 HydrophobicContact CD2-CG2 4.04Å; L49-I80 HydrophobicContact CD1-CG2 3.96Å; L49-F83 HydrophobicContact CB-CD1 3.92Å; L49-F83 HydrophobicContact CB-CE1 3.65Å; L49-F83 HydrophobicContact CB-CZ 4.33Å; L49-F83 HydrophobicContact CD1-CD1 4.25Å; L49-F83 HydrophobicContact CD2-CD1 3.93Å; L49-F83 HydrophobicContact CD2-CE1 3.87Å; L49-F83 HydrophobicContact CG-CD1 4.25Å; L49-F83 HydrophobicContact CG-CE1 4.26Å; L49-F83 WeakPolarHBondContact O-CE1 3.36Å; L49-F83 WeakPolarHBondContact O-CZ 3.48Å; L49-I89 HydrophobicContact CD2-CD1 3.54Å; L49-L120 HydrophobicContact CD1-CD1 4.32Å; L49-L120 HydrophobicContact CD1-CD2 4.46Å; L49-L120 HydrophobicContact CD2-CD1 4.37Å; L49-L120 HydrophobicContact CG-CD1 3.85Å
50	N	91.1	Very high	91	Very high	134 Å²	134	52.4 Å²	52.4	72%	0.717	28%	0.276	S	S	*	.	H	α-helix	trans	-78.1	-22.1	178.6	-168.4	59.8	0	0	0	113.6	A46 K47 S48	A46-N50 WeakPolarHBondContact O-CB 3.35Å; A46-N50 PolarHBondContact O-N 3.29Å; K47-N50 PolarHBondContact O-N 3.03Å; S48-N50 VanDerWaalsContact C-N 3.26Å; S48-N50 PolarHBondContact O-N 3.32Å
51	V	91.5	Very high	91.1	Very high	110 Å²	110	50 Å²	50	67%	0.667	26%	0.262	S	S	*	.	H	α-helix	trans	-89	-49	-179.9	171.3	0	0	0	0	111.4	K47 S48	K47-V51 VanDerWaalsContact O-CG2 3.31Å; K47-V51 WeakPolarHBondContact O-CG2 3.42Å; K47-V51 PolarHBondContact O-N 2.87Å; S48-V51 PolarHBondContact O-N 2.85Å; S48-V51 VanDerWaalsContact O-N 3.16Å
52	D	88.5	Confident	91.1	Very high	73 Å²	73	50 Å²	50	39%	0.39	26%	0.262	S	S	.	.			trans	-151.1	75.3	-173.1	-162.5	-139	0	0	0	111.4	S48 D54 N55	S48-D52 PolarHBondContact O-N 2.81Å; D52-D54 VanDerWaalsContact C-N 3.28Å; D52-D54 PolarHBondContact O-N 2.86Å; D52-N55 PolarHBondContact O-N 3.24Å; D52-N55 WeakPolarHBondContact OD1-CB 3.35Å
53	P	88.6	Confident	90.8	Very high	28 Å²	28	50.1 Å²	50.1	18%	0.182	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-67	-28.9	-177.4	27.6	-34.2	0	0	0	112.9	L49 N55 V56 F83 I89	L49-P53 WeakPolarHBondContact O-CB 3.49Å; L49-P53 WeakPolarHBondContact O-CD 3.41Å; P53-N55 PolarHBondContact O-N 2.53Å; P53-V56 PolarHBondContact O-N 2.88Å; P53-V56 VanDerWaalsContact O-N 3.09Å; P53-F83 HydrophobicContact CB-CE1 3.77Å; P53-F83 HydrophobicContact CB-CZ 3.94Å; P53-F83 HydrophobicContact CG-CZ 4.31Å; P53-I89 HydrophobicContact CB-CD1 4.34Å
54	D	87.8	Confident	90.4	Very high	152 Å²	152	44.7 Å²	44.7	81%	0.813	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-63	-24.6	179.8	-70.7	-72.1	0	0	0	113.1	D52	D52-D54 VanDerWaalsContact C-N 3.28Å; D52-D54 PolarHBondContact O-N 2.86Å
55	N	89.2	Confident	89.6	Confident	31 Å²	31	47.2 Å²	47.2	17%	0.166	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-86.9	-12.2	178.6	-166.8	42	0	0	0	113.1	D52 P53 T122 S123	D52-N55 PolarHBondContact O-N 3.24Å; D52-N55 WeakPolarHBondContact OD1-CB 3.35Å; P53-N55 PolarHBondContact O-N 2.53Å; N55-T122 CarbonylContact O-C 3.47Å; N55-T122 WeakPolarHBondContact O-CA 3.4Å; N55-S123 PolarHBondContact ND2-O 3.38Å; N55-S123 PolarHBondContact O-N 3.42Å; N55-S123 WeakPolarHBondContact OD1-CB 3.34Å; N55-S123 PolarHBondContact OD1-N 3.47Å; N55-S123 PolarHBondContact OD1-O 3.17Å
56	V	91.3	Very high	88.5	Confident	9 Å²	9	53.6 Å²	53.6	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.7	179.3	-177.3	0	0	0	0	109.6	L49 P53 I89 L120 T122	L49-V56 HydrophobicContact CD2-CB 4.22Å; L49-V56 HydrophobicContact CD2-CG1 4.14Å; L49-V56 HydrophobicContact CD2-CG2 4.04Å; P53-V56 PolarHBondContact O-N 2.88Å; P53-V56 VanDerWaalsContact O-N 3.09Å; V56-I89 HydrophobicContact CB-CD1 4.17Å; V56-I89 HydrophobicContact CG1-CD1 4.42Å; V56-I89 HydrophobicContact CG1-CG2 3.89Å; V56-L120 HydrophobicContact CG1-CB 4.25Å; V56-L120 HydrophobicContact CG1-CD1 4.32Å; V56-L120 HydrophobicContact CG1-CD2 4.05Å; V56-L120 HydrophobicContact CG1-CG 4.45Å; V56-L120 HydrophobicContact CG2-CD1 4.23Å; V56-T122 HydrophobicContact CG2-CG2 4.16Å
57	V	91.4	Very high	87.8	Confident	34 Å²	34	53 Å²	53	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-26.2	-176.7	-63.6	0	0	0	0	113.4	V121 L134	V57-V121 HydrophobicContact CG2-CB 4.16Å; V57-V121 HydrophobicContact CG2-CG1 3.99Å; V57-V121 VanDerWaalsContact CG2-O 3.29Å; V57-V121 WeakPolarHBondContact CG2-O 3.37Å; V57-V121 PolarHBondContact N-O 2.91Å; V57-L134 HydrophobicContact CB-CD2 4.45Å; V57-L134 HydrophobicContact CG2-CD1 4.41Å; V57-L134 HydrophobicContact CG2-CD2 4.02Å
58	L	93	Very high	86.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	136.1	-178.7	-176.5	68.9	0	0	0	110.5	L25 V28 I60 S90 L92 L120 V121 L134 V137	L25-L58 HydrophobicContact CD1-CD2 3.81Å; V28-L58 HydrophobicContact CG1-CD2 4.44Å; L58-I60 HydrophobicContact CD2-CD1 4.12Å; L58-I60 HydrophobicContact CD2-CG1 4.2Å; L58-I60 HydrophobicContact CG-CG1 4.2Å; L58-S90 CarbonylContact C-O 3.3Å; L58-S90 WeakPolarHBondContact CA-O 3.33Å; L58-L92 HydrophobicContact CD1-CD2 3.93Å; L58-L120 WeakPolarHBondContact O-CA 3.48Å; L58-V121 HydrophobicContact CB-CB 4.07Å; L58-V121 HydrophobicContact CB-CG2 4.27Å; L58-V121 HydrophobicContact CD2-CG2 4.28Å; L58-V121 PolarHBondContact N-O 3.07Å; L58-V121 PolarHBondContact O-N 3.37Å; L58-L134 HydrophobicContact CB-CD1 4.28Å; L58-L134 HydrophobicContact CD2-CD1 4.3Å; L58-V137 HydrophobicContact CD1-CG1 3.78Å; L58-V137 HydrophobicContact CD2-CG1 4.11Å
59	C	95.1	Very high	86.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.8	173.5	177.7	0	0	0	0	110	I89 S90 I91 L92 L120	C59-I89 HydrophobicContact CB-CG2 4.37Å; C59-S90 PolarHBondContact N-O 3.1Å; C59-I91 HydrophobicContact CB-CB 4.27Å; C59-I91 HydrophobicContact CB-CD1 4.49Å; C59-I91 HydrophobicContact CB-CG1 4.07Å; C59-I91 CarbonylContact O-C 3.56Å; C59-I91 VanDerWaalsContact O-CA 3.3Å; C59-I91 WeakPolarHBondContact O-CA 3.45Å; C59-L92 PolarHBondContact O-N 3.04Å; C59-L120 HydrophobicContact CB-CD2 3.6Å; C59-L120 VanDerWaalsContact SG-CD2 3.55Å
60	I	94.3	Very high	85.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.7	-179.2	-57.5	159	0	0	0	107.4	L25 L29 L58 L92 V94 L100 C118 V119	L25-I60 HydrophobicContact CD1-CD1 3.73Å; L25-I60 HydrophobicContact CD1-CG1 4.23Å; L29-I60 HydrophobicContact CD1-CD1 4.19Å; L29-I60 HydrophobicContact CD2-CD1 3.7Å; L29-I60 HydrophobicContact CG-CD1 4.23Å; L58-I60 HydrophobicContact CD2-CD1 4.12Å; L58-I60 HydrophobicContact CD2-CG1 4.2Å; L58-I60 HydrophobicContact CG-CG1 4.2Å; I60-L92 WeakPolarHBondContact CA-O 3.16Å; I60-L92 HydrophobicContact CB-CD1 4.36Å; I60-L92 HydrophobicContact CG1-CD1 4.08Å; I60-L92 HydrophobicContact CG1-CG 4.3Å; I60-L92 HydrophobicContact CG2-CD1 3.93Å; I60-V94 HydrophobicContact CG2-CB 4.38Å; I60-V94 HydrophobicContact CG2-CG2 3.79Å; I60-L100 HydrophobicContact CG2-CD2 4.45Å; I60-C118 CarbonylContact O-C 3.54Å; I60-C118 WeakPolarHBondContact O-CA 3.31Å; I60-V119 HydrophobicContact CB-CB 4.25Å; I60-V119 PolarHBondContact N-O 2.84Å; I60-V119 PolarHBondContact O-N 3.5Å
61	L	92.9	Very high	85.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.4	172.4	-61	179.7	0	0	0	108.9	F77 I80 I91 L92 R93 V94 H117 C118	L61-F77 HydrophobicContact CD1-CB 4.24Å; L61-F77 HydrophobicContact CD1-CD1 4.46Å; L61-F77 HydrophobicContact CD1-CG 4.37Å; L61-F77 HydrophobicContact CD2-CD1 3.83Å; L61-F77 HydrophobicContact CD2-CE1 4.13Å; L61-I80 HydrophobicContact CD2-CG2 4.23Å; L61-I91 HydrophobicContact CD1-CD1 3.9Å; L61-I91 HydrophobicContact CG-CD1 4.22Å; L61-L92 PolarHBondContact N-O 3.23Å; L61-R93 CarbonylContact O-C 3.6Å; L61-R93 VanDerWaalsContact O-CA 3.23Å; L61-R93 WeakPolarHBondContact O-CA 3.34Å; L61-V94 PolarHBondContact O-N 3.34Å; L61-H117 CarbonylContact C-O 3.53Å; L61-H117 WeakPolarHBondContact CA-O 3.43Å; L61-C118 HydrophobicContact CD2-CB 4.23Å
62	A	89.9	Confident	85.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.1	176.8	0	0	0	0	0	110.1	F77 V94 T97 L100 L116 H117	A62-F77 WeakPolarHBondContact O-CZ 3.08Å; A62-V94 WeakPolarHBondContact CA-O 3.3Å; A62-T97 HydrophobicContact CB-CG2 3.77Å; A62-L100 HydrophobicContact CB-CD2 3.69Å; A62-L116 VanDerWaalsContact CB-O 3.31Å; A62-L116 WeakPolarHBondContact CB-O 3.42Å; A62-H117 PolarHBondContact N-O 3.31Å; A62-H117 WeakPolarHBondContact O-CA 3.44Å; A62-H117 PolarHBondContact O-ND1 3.3Å
63	T	84.1	Confident	85.5	Confident	11 Å²	11	53 Å²	53	7%	0.067	29%	0.29	C	S	.	.			trans	-141.2	129.2	-178.7	-171.5	0	0	0	0	109.3	R93 V94	T63-R93 HydrophobicContact CG2-CG 4.04Å; T63-V94 PolarHBondContact N-O 3.23Å
64	D	80	Confident	85.5	Confident	54 Å²	54	54 Å²	54	29%	0.289	29%	0.292	S	S	.	.			trans	-97.6	172	167.8	-62.9	-41.7	0	0	0	110.3	E66 D67 T97	D64-E66 PolarHBondContact O-N 3.49Å; D64-D67 PolarHBondContact N-OD2 2.82Å; D64-D67 WeakPolarHBondContact O-CB 3.43Å; D64-D67 PolarHBondContact O-N 3.48Å; D64-D67 VanDerWaalsContact O-N 3.11Å; D64-T97 VanDerWaalsContact CG-CG2 3.43Å; D64-T97 VanDerWaalsContact CG-OG1 3.24Å; D64-T97 WeakPolarHBondContact OD1-CG2 3.31Å; D64-T97 PolarHBondContact OD1-OG1 3.23Å; D64-T97 WeakPolarHBondContact OD2-CB 3.42Å; D64-T97 VanDerWaalsContact OD2-CG2 3.25Å; D64-T97 WeakPolarHBondContact OD2-CG2 3.49Å; D64-T97 PolarHBondContact OD2-OG1 3.19Å
65	D	73.1	Confident	85.7	Confident	143 Å²	143	51.1 Å²	51.1	77%	0.765	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.3	179.9	-72.2	-49.1	0	0	0	113.6
66	E	70.4	Confident	85.8	Confident	133 Å²	133	53.8 Å²	53.8	62%	0.621	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-31.4	178.1	-67.6	-65.2	90.4	0	0	112	D64 V68 K69	D64-E66 PolarHBondContact O-N 3.49Å; E66-V68 VanDerWaalsContact C-N 3.26Å; E66-V68 PolarHBondContact O-N 3.17Å; E66-K69 PolarHBondContact O-N 2.87Å; E66-K69 IonicContact OE1-NZ 3.46Å; E66-K69 PolarHBondContact OE1-NZ 3.42Å; E66-K69 IonicContact OE2-NZ 3.72Å
67	D	75.7	Confident	85.8	Confident	26 Å²	26	53.4 Å²	53.4	14%	0.139	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-73.4	-18.7	-179.1	-60.1	-38.5	0	0	0	112.9	D64 K69 D70 L73 Q74 H117	D64-D67 PolarHBondContact N-OD2 2.82Å; D64-D67 WeakPolarHBondContact O-CB 3.43Å; D64-D67 PolarHBondContact O-N 3.48Å; D64-D67 VanDerWaalsContact O-N 3.11Å; D67-K69 PolarHBondContact O-N 3.28Å; D67-D70 PolarHBondContact O-N 3.49Å; D67-D70 VanDerWaalsContact O-N 3.14Å; D67-L73 HydrophobicContact CB-CD2 3.83Å; D67-Q74 PolarHBondContact O-NE2 3.38Å; D67-Q74 VanDerWaalsContact O-NE2 3.1Å; D67-H117 IonicContact OD1-CE1 3.2Å; D67-H117 PolarHBondContact OD1-CE1 2.71Å; D67-H117 IonicContact OD1-NE2 3.82Å; D67-H117 IonicContact OD2-CE1 3.16Å; D67-H117 PolarHBondContact OD2-CE1 2.98Å; D67-H117 IonicContact OD2-ND1 3.49Å; D67-H117 PolarHBondContact OD2-ND1 2.68Å
68	V	71.9	Confident	85.8	Confident	90 Å²	90	56 Å²	56	55%	0.545	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-63.5	-23.5	175.4	-176.2	0	0	0	0	111.2	E66	E66-V68 VanDerWaalsContact C-N 3.26Å; E66-V68 PolarHBondContact O-N 3.17Å
69	K	77.5	Confident	85.9	Confident	148 Å²	148	61 Å²	61	64%	0.643	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-82.6	-16.9	178.8	-61.3	167.8	-173.2	157.1	0	112.7	E66 D67 V71	E66-K69 PolarHBondContact O-N 2.87Å; E66-K69 IonicContact OE1-NZ 3.46Å; E66-K69 PolarHBondContact OE1-NZ 3.42Å; E66-K69 IonicContact OE2-NZ 3.72Å; D67-K69 PolarHBondContact O-N 3.28Å; K69-V71 PolarHBondContact O-N 3.44Å
70	D	85.8	Confident	85.8	Confident	80 Å²	80	61.3 Å²	61.3	43%	0.428	33%	0.328	S	S	.	.			trans	-84.5	99.1	179.1	-169.5	-31.5	0	0	0	111	D67 A72 L73 Q74	D67-D70 PolarHBondContact O-N 3.49Å; D67-D70 VanDerWaalsContact O-N 3.14Å; D70-A72 VanDerWaalsContact C-N 3.27Å; D70-A72 PolarHBondContact O-N 2.95Å; D70-A72 WeakPolarHBondContact OD1-CA 3.36Å; D70-A72 WeakPolarHBondContact OD1-CB 3.29Å; D70-A72 PolarHBondContact OD1-N 3.34Å; D70-L73 HydrophobicContact CB-CB 3.86Å; D70-L73 PolarHBondContact O-N 2.97Å; D70-L73 PolarHBondContact OD1-N 3.46Å; D70-Q74 WeakPolarHBondContact O-CG 3.23Å; D70-Q74 PolarHBondContact O-N 2.83Å
71	V	87.8	Confident	85.7	Confident	104 Å²	104	64.1 Å²	64.1	63%	0.63	34%	0.342	S	S	*	.	H	α-helix	trans	-60.2	-36.7	179.4	-179.5	0	0	0	0	112.1	K69 Q74 I75	K69-V71 PolarHBondContact O-N 3.44Å; V71-Q74 PolarHBondContact O-N 3.05Å; V71-I75 HydrophobicContact CG1-CD1 4Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 WeakPolarHBondContact O-CD1 3.42Å; V71-I75 VanDerWaalsContact O-CG1 3.24Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.46Å
72	A	88.4	Confident	85.7	Confident	55 Å²	55	66.3 Å²	66.3	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-67.8	-43.7	-179	0	0	0	0	0	110.6	D70 Q74 I75 H76	D70-A72 VanDerWaalsContact C-N 3.27Å; D70-A72 PolarHBondContact O-N 2.95Å; D70-A72 WeakPolarHBondContact OD1-CA 3.36Å; D70-A72 WeakPolarHBondContact OD1-CB 3.29Å; D70-A72 PolarHBondContact OD1-N 3.34Å; A72-Q74 PolarHBondContact O-N 3.37Å; A72-I75 WeakPolarHBondContact O-CB 3.44Å; A72-I75 PolarHBondContact O-N 2.86Å; A72-H76 PolarHBondContact O-CD2 3.05Å; A72-H76 PolarHBondContact O-N 3.24Å
73	L	87.3	Confident	85.9	Confident	15 Å²	15	69.1 Å²	69.1	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-43.3	175.6	-174.8	59	0	0	0	111.8	V42 D67 D70 I75 H76 F77 H117	V42-L73 HydrophobicContact CG2-CD1 3.79Å; D67-L73 HydrophobicContact CB-CD2 3.83Å; D70-L73 HydrophobicContact CB-CB 3.86Å; D70-L73 PolarHBondContact O-N 2.97Å; D70-L73 PolarHBondContact OD1-N 3.46Å; L73-I75 VanDerWaalsContact C-N 3.31Å; L73-I75 PolarHBondContact O-N 3.48Å; L73-H76 PolarHBondContact O-N 2.98Å; L73-H76 VanDerWaalsContact O-N 3.15Å; L73-F77 HydrophobicContact CD1-CD1 4.25Å; L73-F77 HydrophobicContact CD1-CE1 3.66Å; L73-F77 HydrophobicContact CD1-CE2 4.4Å; L73-F77 HydrophobicContact CD1-CZ 3.77Å; L73-F77 HydrophobicContact CD2-CE2 4.27Å; L73-F77 HydrophobicContact CD2-CZ 4.06Å; L73-F77 HydrophobicContact CG-CD2 4.46Å; L73-F77 HydrophobicContact CG-CE1 4.1Å; L73-F77 HydrophobicContact CG-CE2 3.93Å; L73-F77 HydrophobicContact CG-CZ 3.76Å; L73-F77 WeakPolarHBondContact O-CG 3.44Å; L73-F77 PolarHBondContact O-N 3.18Å; L73-H117 HydrophobicContact CD1-CB 3.97Å; L73-H117 HydrophobicContact CD2-CB 4.45Å
74	Q	88.5	Confident	86.4	Confident	49 Å²	49	68.6 Å²	68.6	23%	0.229	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-35.4	176.6	-64.7	-53.4	-45.6	0	0	112.8	D67 D70 V71 A72 T78	D67-Q74 PolarHBondContact O-NE2 3.38Å; D67-Q74 VanDerWaalsContact O-NE2 3.1Å; D70-Q74 WeakPolarHBondContact O-CG 3.23Å; D70-Q74 PolarHBondContact O-N 2.83Å; V71-Q74 PolarHBondContact O-N 3.05Å; A72-Q74 PolarHBondContact O-N 3.37Å; Q74-T78 WeakPolarHBondContact O-CB 3.22Å; Q74-T78 PolarHBondContact O-N 3.45Å; Q74-T78 PolarHBondContact O-OG1 3Å
75	I	91.7	Very high	86.9	Confident	92 Å²	92	67.1 Å²	67.1	47%	0.472	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-47.6	172.5	-69.9	163.4	0	0	0	109.8	V71 A72 L73 F77 T78 L79	V71-I75 HydrophobicContact CG1-CD1 4Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 WeakPolarHBondContact O-CD1 3.42Å; V71-I75 VanDerWaalsContact O-CG1 3.24Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.46Å; A72-I75 WeakPolarHBondContact O-CB 3.44Å; A72-I75 PolarHBondContact O-N 2.86Å; L73-I75 VanDerWaalsContact C-N 3.31Å; L73-I75 PolarHBondContact O-N 3.48Å; I75-F77 PolarHBondContact O-N 3.35Å; I75-T78 WeakPolarHBondContact O-CB 3.36Å; I75-T78 PolarHBondContact O-N 3Å; I75-L79 HydrophobicContact CG2-CD1 4.01Å; I75-L79 HydrophobicContact CG2-CG 4.41Å; I75-L79 WeakPolarHBondContact O-CG 3.32Å; I75-L79 PolarHBondContact O-N 3.48Å
76	H	91.5	Very high	87.7	Confident	86 Å²	86	67.9 Å²	67.9	40%	0.398	36%	0.361	S	S	.	.	H	α-helix	trans	-61.4	-43.2	178.6	-74.9	-63.2	0	0	0	112.8	V42 A72 L73 T78 L79 I80	V42-H76 HydrophobicContact CG1-CB 3.46Å; V42-H76 VanDerWaalsContact CG1-CB 3.46Å; A72-H76 PolarHBondContact O-CD2 3.05Å; A72-H76 PolarHBondContact O-N 3.24Å; L73-H76 PolarHBondContact O-N 2.98Å; L73-H76 VanDerWaalsContact O-N 3.15Å; H76-T78 VanDerWaalsContact C-N 3.29Å; H76-T78 PolarHBondContact O-N 3.15Å; H76-L79 PolarHBondContact O-N 3.33Å; H76-I80 WeakPolarHBondContact O-CG1 3.49Å; H76-I80 PolarHBondContact O-N 3.15Å
77	F	91.6	Very high	88.6	Confident	1 Å²	1	65 Å²	65	0%	0.004	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-42.3	174.4	-71.3	-12.1	0	0	0	112.4	V42 L61 A62 L73 I75 I80 Q81 H117	V42-F77 HydrophobicContact CG2-CE1 4.12Å; L61-F77 HydrophobicContact CD1-CB 4.24Å; L61-F77 HydrophobicContact CD1-CD1 4.46Å; L61-F77 HydrophobicContact CD1-CG 4.37Å; L61-F77 HydrophobicContact CD2-CD1 3.83Å; L61-F77 HydrophobicContact CD2-CE1 4.13Å; A62-F77 WeakPolarHBondContact O-CZ 3.08Å; L73-F77 HydrophobicContact CD1-CD1 4.25Å; L73-F77 HydrophobicContact CD1-CE1 3.66Å; L73-F77 HydrophobicContact CD1-CE2 4.4Å; L73-F77 HydrophobicContact CD1-CZ 3.77Å; L73-F77 HydrophobicContact CD2-CE2 4.27Å; L73-F77 HydrophobicContact CD2-CZ 4.06Å; L73-F77 HydrophobicContact CG-CD2 4.46Å; L73-F77 HydrophobicContact CG-CE1 4.1Å; L73-F77 HydrophobicContact CG-CE2 3.93Å; L73-F77 HydrophobicContact CG-CZ 3.76Å; L73-F77 WeakPolarHBondContact O-CG 3.44Å; L73-F77 PolarHBondContact O-N 3.18Å; I75-F77 PolarHBondContact O-N 3.35Å; F77-I80 PolarHBondContact O-N 3.23Å; F77-Q81 WeakPolarHBondContact O-CB 3.38Å; F77-Q81 PolarHBondContact O-N 3.39Å; F77-H117 HydrophobicContact CE1-CB 3.86Å; F77-H117 WeakPolarHBondContact CE1-O 3.43Å; F77-H117 HydrophobicContact CZ-CB 3.78Å
78	T	92.3	Very high	89.3	Confident	89 Å²	89	68 Å²	68	55%	0.546	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-42.9	178	-57.1	0	0	0	0	111.2	Q74 I75 H76 Q81 A82	Q74-T78 WeakPolarHBondContact O-CB 3.22Å; Q74-T78 PolarHBondContact O-N 3.45Å; Q74-T78 PolarHBondContact O-OG1 3Å; I75-T78 WeakPolarHBondContact O-CB 3.36Å; I75-T78 PolarHBondContact O-N 3Å; H76-T78 VanDerWaalsContact C-N 3.29Å; H76-T78 PolarHBondContact O-N 3.15Å; T78-Q81 PolarHBondContact O-N 3.39Å; T78-A82 WeakPolarHBondContact O-CB 3.49Å; T78-A82 PolarHBondContact O-N 3.24Å
79	L	93.9	Very high	90.2	Very high	106 Å²	106	64.2 Å²	64.2	56%	0.555	34%	0.343	S	S	*	.	H	α-helix	trans	-65.4	-47.3	178.2	-68.1	173.1	0	0	0	112	I75 H76 Q81 A82 F83	I75-L79 HydrophobicContact CG2-CD1 4.01Å; I75-L79 HydrophobicContact CG2-CG 4.41Å; I75-L79 WeakPolarHBondContact O-CG 3.32Å; I75-L79 PolarHBondContact O-N 3.48Å; H76-L79 PolarHBondContact O-N 3.33Å; L79-Q81 VanDerWaalsContact C-N 3.32Å; L79-Q81 PolarHBondContact O-N 2.87Å; L79-A82 PolarHBondContact O-N 3.43Å; L79-F83 WeakPolarHBondContact O-CB 3.26Å; L79-F83 PolarHBondContact O-N 3.28Å
80	I	93.9	Very high	91	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-43	177.8	-69.1	169	0	0	0	110.2	V42 L49 L61 H76 F77 F83 C84	V42-I80 HydrophobicContact CG1-CD1 3.91Å; L49-I80 HydrophobicContact CD1-CG2 3.96Å; L61-I80 HydrophobicContact CD2-CG2 4.23Å; H76-I80 WeakPolarHBondContact O-CG1 3.49Å; H76-I80 PolarHBondContact O-N 3.15Å; F77-I80 PolarHBondContact O-N 3.23Å; I80-F83 PolarHBondContact O-N 3.09Å; I80-C84 WeakPolarHBondContact O-CB 3.26Å; I80-C84 PolarHBondContact O-N 2.86Å; I80-C84 PolarHBondContact O-SG 2.83Å; I80-C84 VanDerWaalsContact O-SG 3.35Å
81	Q	92.3	Very high	91.4	Very high	59 Å²	59	54.6 Å²	54.6	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-49.6	176.5	175.6	-179.7	-36.2	0	0	111.8	F77 T78 L79 F83 C84 C85 I91 V151	F77-Q81 WeakPolarHBondContact O-CB 3.38Å; F77-Q81 PolarHBondContact O-N 3.39Å; T78-Q81 PolarHBondContact O-N 3.39Å; L79-Q81 VanDerWaalsContact C-N 3.32Å; L79-Q81 PolarHBondContact O-N 2.87Å; Q81-F83 VanDerWaalsContact C-N 3.31Å; Q81-F83 PolarHBondContact O-N 2.9Å; Q81-C84 PolarHBondContact O-N 3.5Å; Q81-C85 WeakPolarHBondContact O-CB 3.49Å; Q81-C85 PolarHBondContact O-N 3.43Å; Q81-C85 PolarHBondContact O-SG 2.87Å; Q81-I91 HydrophobicContact CB-CD1 4.07Å; Q81-I91 HydrophobicContact CG-CD1 4.42Å; Q81-V151 HydrophobicContact CB-CG2 4.48Å; Q81-V151 HydrophobicContact CG-CG2 3.5Å; Q81-V151 VanDerWaalsContact CG-CG2 3.5Å; Q81-V151 VanDerWaalsContact OE1-CG2 3.31Å
82	A	93.1	Very high	91.7	Very high	45 Å²	45	49.7 Å²	49.7	37%	0.372	27%	0.27	S	S	.	.	H	α-helix	trans	-56.9	-48.3	177.8	0	0	0	0	0	110.9	T78 L79 C84 C85 E86	T78-A82 WeakPolarHBondContact O-CB 3.49Å; T78-A82 PolarHBondContact O-N 3.24Å; L79-A82 PolarHBondContact O-N 3.43Å; A82-C84 PolarHBondContact O-N 3.38Å; A82-C85 PolarHBondContact O-N 3.35Å; A82-E86 VanDerWaalsContact O-CG 3.31Å; A82-E86 WeakPolarHBondContact O-CG 3.24Å; A82-E86 PolarHBondContact O-N 3.5Å
83	F	94.1	Very high	91.8	Very high	59 Å²	59	49.9 Å²	49.9	26%	0.259	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-47.2	179.7	-171.9	-84.6	0	0	0	112.7	L49 P53 L79 I80 Q81 C85 E86 N87	L49-F83 HydrophobicContact CB-CD1 3.92Å; L49-F83 HydrophobicContact CB-CE1 3.65Å; L49-F83 HydrophobicContact CB-CZ 4.33Å; L49-F83 HydrophobicContact CD1-CD1 4.25Å; L49-F83 HydrophobicContact CD2-CD1 3.93Å; L49-F83 HydrophobicContact CD2-CE1 3.87Å; L49-F83 HydrophobicContact CG-CD1 4.25Å; L49-F83 HydrophobicContact CG-CE1 4.26Å; L49-F83 WeakPolarHBondContact O-CE1 3.36Å; L49-F83 WeakPolarHBondContact O-CZ 3.48Å; P53-F83 HydrophobicContact CB-CE1 3.77Å; P53-F83 HydrophobicContact CB-CZ 3.94Å; P53-F83 HydrophobicContact CG-CZ 4.31Å; L79-F83 WeakPolarHBondContact O-CB 3.26Å; L79-F83 PolarHBondContact O-N 3.28Å; I80-F83 PolarHBondContact O-N 3.09Å; Q81-F83 VanDerWaalsContact C-N 3.31Å; Q81-F83 PolarHBondContact O-N 2.9Å; F83-C85 VanDerWaalsContact C-N 3.35Å; F83-C85 PolarHBondContact O-N 3.33Å; F83-E86 PolarHBondContact O-N 3.46Å; F83-N87 VanDerWaalsContact CE1-ND2 3.35Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.45Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.49Å; F83-N87 PolarHBondContact O-N 2.9Å; F83-N87 VanDerWaalsContact O-N 3.09Å; F83-N87 PolarHBondContact O-ND2 2.92Å
84	C	93.8	Very high	91.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-40.5	178.3	-72.4	0	0	0	0	111.8	I80 Q81 A82 N87 D88 I89 I91	I80-C84 WeakPolarHBondContact O-CB 3.26Å; I80-C84 PolarHBondContact O-N 2.86Å; I80-C84 PolarHBondContact O-SG 2.83Å; I80-C84 VanDerWaalsContact O-SG 3.35Å; Q81-C84 PolarHBondContact O-N 3.5Å; A82-C84 PolarHBondContact O-N 3.38Å; C84-N87 PolarHBondContact O-N 3.4Å; C84-D88 PolarHBondContact O-N 3.03Å; C84-I89 HydrophobicContact CB-CB 3.99Å; C84-I89 HydrophobicContact CB-CG2 4.37Å; C84-I89 PolarHBondContact O-N 3.33Å; C84-I91 HydrophobicContact CB-CB 4.15Å; C84-I91 HydrophobicContact CB-CD1 4.07Å; C84-I91 HydrophobicContact CB-CG2 4.44Å
85	C	89.9	Confident	91.5	Very high	24 Å²	24	50 Å²	50	16%	0.162	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-37.2	177.4	-72	0	0	0	0	113	Q81 A82 F83 R145 W150	Q81-C85 WeakPolarHBondContact O-CB 3.49Å; Q81-C85 PolarHBondContact O-N 3.43Å; Q81-C85 PolarHBondContact O-SG 2.87Å; A82-C85 PolarHBondContact O-N 3.35Å; F83-C85 VanDerWaalsContact C-N 3.35Å; F83-C85 PolarHBondContact O-N 3.33Å; C85-R145 PolarHBondContact O-NH2 3.37Å; C85-W150 HydrophobicContact CB-CE3 4.48Å
86	E	91	Very high	91	Very high	158 Å²	158	47.1 Å²	47.1	74%	0.738	25%	0.247	S	C	*	.	H	α-helix	trans	-68.7	-36	176.9	-74.5	173.9	-170.9	0	0	112.3	A82 F83	A82-E86 VanDerWaalsContact O-CG 3.31Å; A82-E86 WeakPolarHBondContact O-CG 3.24Å; A82-E86 PolarHBondContact O-N 3.5Å; F83-E86 PolarHBondContact O-N 3.46Å
87	N	89.5	Confident	90.5	Very high	74 Å²	74	43.9 Å²	43.9	40%	0.396	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	10.9	-178.5	-68.4	-82.4	0	0	0	114.2	F83 C84 I89	F83-N87 VanDerWaalsContact CE1-ND2 3.35Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.45Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.49Å; F83-N87 PolarHBondContact O-N 2.9Å; F83-N87 VanDerWaalsContact O-N 3.09Å; F83-N87 PolarHBondContact O-ND2 2.92Å; C84-N87 PolarHBondContact O-N 3.4Å; N87-I89 HydrophobicContact CB-CD1 3.92Å; N87-I89 HydrophobicContact CB-CG1 3.99Å; N87-I89 PolarHBondContact O-N 3.02Å; N87-I89 VanDerWaalsContact O-N 3.15Å
88	D	89.1	Confident	90	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	25.1	-175.2	-147.6	-117.1	0	0	0	114.4	C84 R142 R145	C84-D88 PolarHBondContact O-N 3.03Å; D88-R142 IonicContact OD1-NH2 2.71Å; D88-R145 IonicContact OD2-CZ 2.68Å; D88-R145 IonicContact OD2-NH1 3.79Å; D88-R145 PolarHBondContact OD2-NH1 3.31Å
89	I	92.1	Very high	89.6	Confident	12 Å²	12	50.3 Å²	50.3	6%	0.062	25%	0.247	C	C	.	.			trans	-76	129.7	175.6	-60	169.9	0	0	0	108.1	L49 P53 V56 C59 C84 N87 I91	L49-I89 HydrophobicContact CD2-CD1 3.54Å; P53-I89 HydrophobicContact CB-CD1 4.34Å; V56-I89 HydrophobicContact CB-CD1 4.17Å; V56-I89 HydrophobicContact CG1-CD1 4.42Å; V56-I89 HydrophobicContact CG1-CG2 3.89Å; C59-I89 HydrophobicContact CB-CG2 4.37Å; C84-I89 HydrophobicContact CB-CB 3.99Å; C84-I89 HydrophobicContact CB-CG2 4.37Å; C84-I89 PolarHBondContact O-N 3.33Å; N87-I89 HydrophobicContact CB-CD1 3.92Å; N87-I89 HydrophobicContact CB-CG1 3.99Å; N87-I89 PolarHBondContact O-N 3.02Å; N87-I89 VanDerWaalsContact O-N 3.15Å; I89-I91 PolarHBondContact O-N 3.02Å
90	S	92.8	Very high	89.2	Confident	20 Å²	20	45.3 Å²	45.3	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122.3	176.8	-66.8	0	0	0	0	109.3	L58 C59 N138	L58-S90 CarbonylContact C-O 3.3Å; L58-S90 WeakPolarHBondContact CA-O 3.33Å; C59-S90 PolarHBondContact N-O 3.1Å; S90-N138 VanDerWaalsContact CB-OD1 3.31Å; S90-N138 WeakPolarHBondContact CB-OD1 3.46Å; S90-N138 PolarHBondContact OG-OD1 3.14Å
91	I	94.3	Very high	88.7	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.6	-179.9	-172.6	169.7	0	0	0	110.2	C59 L61 Q81 C84 I89 C141 V151 P152	C59-I91 HydrophobicContact CB-CB 4.27Å; C59-I91 HydrophobicContact CB-CD1 4.49Å; C59-I91 HydrophobicContact CB-CG1 4.07Å; C59-I91 CarbonylContact O-C 3.56Å; C59-I91 VanDerWaalsContact O-CA 3.3Å; C59-I91 WeakPolarHBondContact O-CA 3.45Å; L61-I91 HydrophobicContact CD1-CD1 3.9Å; L61-I91 HydrophobicContact CG-CD1 4.22Å; Q81-I91 HydrophobicContact CB-CD1 4.07Å; Q81-I91 HydrophobicContact CG-CD1 4.42Å; C84-I91 HydrophobicContact CB-CB 4.15Å; C84-I91 HydrophobicContact CB-CD1 4.07Å; C84-I91 HydrophobicContact CB-CG2 4.44Å; I89-I91 PolarHBondContact O-N 3.02Å; I91-C141 PolarHBondContact O-SG 3.37Å; I91-V151 HydrophobicContact CD1-CG2 4.45Å; I91-V151 HydrophobicContact CG1-CG1 4.46Å; I91-V151 HydrophobicContact CG2-CG2 4.04Å; I91-P152 WeakPolarHBondContact O-CD 3.4Å
92	L	93.9	Very high	88.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	163	174.4	63.8	88.7	0	0	0	111.2	L25 L58 C59 I60 L61 V94 V137 P152 I154	L25-L92 HydrophobicContact CD1-CD2 4.22Å; L25-L92 HydrophobicContact CD2-CD1 3.89Å; L25-L92 HydrophobicContact CD2-CD2 4.41Å; L58-L92 HydrophobicContact CD1-CD2 3.93Å; C59-L92 PolarHBondContact O-N 3.04Å; I60-L92 WeakPolarHBondContact CA-O 3.16Å; I60-L92 HydrophobicContact CB-CD1 4.36Å; I60-L92 HydrophobicContact CG1-CD1 4.08Å; I60-L92 HydrophobicContact CG1-CG 4.3Å; I60-L92 HydrophobicContact CG2-CD1 3.93Å; L61-L92 PolarHBondContact N-O 3.23Å; L92-V94 HydrophobicContact CD1-CG2 3.64Å; L92-V137 HydrophobicContact CD2-CG1 3.55Å; L92-P152 WeakPolarHBondContact CA-O 3.39Å; L92-P152 HydrophobicContact CB-CG 4.17Å; L92-I154 HydrophobicContact CD1-CD1 4.23Å; L92-I154 HydrophobicContact CD2-CD1 3.83Å; L92-I154 HydrophobicContact CG-CD1 4.46Å
93	R	91.8	Very high	87.9	Confident	59 Å²	59	47.7 Å²	47.7	22%	0.223	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.1	176.5	-179.1	174	-68.9	-176.7	0.8	111.2	L61 T63 V151 P152 I153 I154	L61-R93 CarbonylContact O-C 3.6Å; L61-R93 VanDerWaalsContact O-CA 3.23Å; L61-R93 WeakPolarHBondContact O-CA 3.34Å; T63-R93 HydrophobicContact CG2-CG 4.04Å; R93-V151 HydrophobicContact CB-CG1 3.84Å; R93-P152 PolarHBondContact N-O 3.47Å; R93-I153 HydrophobicContact CB-CG1 4.15Å; R93-I153 HydrophobicContact CG-CG1 4.48Å; R93-I153 CarbonylContact O-C 3.53Å; R93-I153 WeakPolarHBondContact O-CA 3.45Å; R93-I154 PolarHBondContact O-N 3.14Å
94	V	89.6	Confident	87.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.4	175.7	175	0	0	0	0	109.4	L25 I60 L61 A62 T63 L92 I154 L156	L25-V94 HydrophobicContact CD2-CG2 3.95Å; I60-V94 HydrophobicContact CG2-CB 4.38Å; I60-V94 HydrophobicContact CG2-CG2 3.79Å; L61-V94 PolarHBondContact O-N 3.34Å; A62-V94 WeakPolarHBondContact CA-O 3.3Å; T63-V94 PolarHBondContact N-O 3.23Å; L92-V94 HydrophobicContact CD1-CG2 3.64Å; V94-I154 WeakPolarHBondContact CA-O 3.33Å; V94-L156 HydrophobicContact CG1-CD1 3.64Å; V94-L156 HydrophobicContact CG1-CG 3.77Å
95	N	79.9	Confident	86.3	Confident	67 Å²	67	48.8 Å²	48.8	36%	0.358	25%	0.251	S	S	.	.	S	Bend	trans	-94.9	0.1	-177.7	-65.8	-8.6	0	0	0	113.8	N155	N95-N155 PolarHBondContact ND2-OD1 2.85Å
96	N	80.1	Confident	84.7	Confident	32 Å²	32	50.4 Å²	50.4	17%	0.171	27%	0.271	C	S	.	.			trans	-121.8	81.3	-177.5	-166.8	-23.9	0	0	0	109.9	R98 R99 L100	N96-R98 PolarHBondContact O-N 2.81Å; N96-R98 PolarHBondContact OD1-N 2.99Å; N96-R99 HydrophobicContact CB-CB 4.09Å; N96-R99 VanDerWaalsContact CG-CB 3.43Å; N96-R99 PolarHBondContact O-N 3.11Å; N96-R99 WeakPolarHBondContact OD1-CB 3.48Å; N96-R99 PolarHBondContact OD1-N 3.37Å; N96-L100 PolarHBondContact O-N 3.19Å; N96-L100 VanDerWaalsContact O-N 3.17Å
97	T	81.6	Confident	82.5	Confident	17 Å²	17	45.6 Å²	45.6	10%	0.104	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-35.4	179	63.4	0	0	0	0	111.5	A62 D64 L100 A101	A62-T97 HydrophobicContact CB-CG2 3.77Å; D64-T97 VanDerWaalsContact CG-CG2 3.43Å; D64-T97 VanDerWaalsContact CG-OG1 3.24Å; D64-T97 WeakPolarHBondContact OD1-CG2 3.31Å; D64-T97 PolarHBondContact OD1-OG1 3.23Å; D64-T97 WeakPolarHBondContact OD2-CB 3.42Å; D64-T97 VanDerWaalsContact OD2-CG2 3.25Å; D64-T97 WeakPolarHBondContact OD2-CG2 3.49Å; D64-T97 PolarHBondContact OD2-OG1 3.19Å; T97-L100 WeakPolarHBondContact O-CB 3.23Å; T97-L100 PolarHBondContact O-N 2.8Å; T97-A101 PolarHBondContact O-N 3.37Å
98	R	81.3	Confident	80.3	Confident	198 Å²	198	47.4 Å²	47.4	75%	0.747	28%	0.278	S	S	*	.	H	α-helix	trans	-62.4	-47	179.7	-63.2	-177.3	-179.6	-171.3	0.5	111.3	N96 L100 A101 E102	N96-R98 PolarHBondContact O-N 2.81Å; N96-R98 PolarHBondContact OD1-N 2.99Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 2.88Å; R98-A101 VanDerWaalsContact O-CB 3.25Å; R98-A101 WeakPolarHBondContact O-CB 3.39Å; R98-A101 PolarHBondContact O-N 3.02Å; R98-A101 VanDerWaalsContact O-N 3.17Å; R98-E102 PolarHBondContact O-N 3.1Å
99	R	83.2	Confident	78.1	Confident	28 Å²	28	52.1 Å²	52.1	11%	0.106	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-38.4	177.5	-176	57.6	-178.6	179.1	6.3	111.6	E26 N96 A101 E102 I103 L156 R159	E26-R99 IonicContact OE1-NH2 3.71Å; E26-R99 PolarHBondContact OE1-NH2 2.85Å; E26-R99 IonicContact OE2-CZ 3.74Å; E26-R99 IonicContact OE2-NE 3.54Å; E26-R99 IonicContact OE2-NH2 2.83Å; E26-R99 PolarHBondContact OE2-NH2 2.9Å; N96-R99 HydrophobicContact CB-CB 4.09Å; N96-R99 VanDerWaalsContact CG-CB 3.43Å; N96-R99 PolarHBondContact O-N 3.11Å; N96-R99 WeakPolarHBondContact OD1-CB 3.48Å; N96-R99 PolarHBondContact OD1-N 3.37Å; R99-A101 VanDerWaalsContact C-N 3.3Å; R99-A101 PolarHBondContact O-N 3Å; R99-E102 VanDerWaalsContact CD-OE2 3.26Å; R99-E102 WeakPolarHBondContact CD-OE2 3.39Å; R99-E102 IonicContact CZ-OE2 3.65Å; R99-E102 IonicContact NE-OE2 3.93Å; R99-E102 IonicContact NH1-OE2 2.86Å; R99-E102 PolarHBondContact NH1-OE2 3.48Å; R99-E102 WeakPolarHBondContact O-CB 3.35Å; R99-E102 PolarHBondContact O-N 2.86Å; R99-I103 HydrophobicContact CG-CD1 4.29Å; R99-I103 VanDerWaalsContact O-CG1 3.32Å; R99-I103 WeakPolarHBondContact O-CG1 3.43Å; R99-I103 PolarHBondContact O-N 3.23Å; R99-I103 VanDerWaalsContact O-N 3.13Å; R99-L156 HydrophobicContact CB-CB 4.11Å; R99-L156 HydrophobicContact CB-CD1 4.08Å; R99-L156 HydrophobicContact CG-CB 3.61Å; R99-L156 HydrophobicContact CG-CD1 3.89Å; R99-L156 HydrophobicContact CG-CG 4.37Å; R99-R159 VanDerWaalsContact NH2-CD 3.32Å
100	L	85.4	Confident	75.8	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-41.1	173	-175.8	62.7	0	0	0	111.5	L29 I60 A62 N96 T97 R98 E102 I103 L104 V119 L156	L29-L100 HydrophobicContact CD1-CD1 3.43Å; L29-L100 VanDerWaalsContact CD1-CD1 3.43Å; I60-L100 HydrophobicContact CG2-CD2 4.45Å; A62-L100 HydrophobicContact CB-CD2 3.69Å; N96-L100 PolarHBondContact O-N 3.19Å; N96-L100 VanDerWaalsContact O-N 3.17Å; T97-L100 WeakPolarHBondContact O-CB 3.23Å; T97-L100 PolarHBondContact O-N 2.8Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 2.88Å; L100-E102 PolarHBondContact O-N 3.22Å; L100-I103 PolarHBondContact O-N 3.26Å; L100-L104 HydrophobicContact CD1-CD1 4.13Å; L100-L104 HydrophobicContact CD1-CG 4.47Å; L100-L104 HydrophobicContact CG-CD1 4.01Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 2.93Å; L100-V119 HydrophobicContact CD2-CG2 3.92Å; L100-L156 HydrophobicContact CB-CD1 4.24Å
101	A	84	Confident	73.4	Confident	25 Å²	25	56.8 Å²	56.8	21%	0.207	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-44.2	174.7	0	0	0	0	0	112.2	T97 R98 R99 I103 L104 G105 G106 L116	T97-A101 PolarHBondContact O-N 3.37Å; R98-A101 VanDerWaalsContact O-CB 3.25Å; R98-A101 WeakPolarHBondContact O-CB 3.39Å; R98-A101 PolarHBondContact O-N 3.02Å; R98-A101 VanDerWaalsContact O-N 3.17Å; R99-A101 VanDerWaalsContact C-N 3.3Å; R99-A101 PolarHBondContact O-N 3Å; A101-I103 PolarHBondContact O-N 3.34Å; A101-L104 PolarHBondContact O-N 3.37Å; A101-G105 PolarHBondContact O-N 3.43Å; A101-G106 VanDerWaalsContact O-CA 3.23Å; A101-G106 WeakPolarHBondContact O-CA 3.25Å; A101-G106 PolarHBondContact O-N 3.12Å; A101-L116 HydrophobicContact CB-CD1 3.39Å
102	E	84.9	Confident	71.1	Confident	115 Å²	115	63.9 Å²	63.9	54%	0.537	39%	0.385	S	S	.	.	H	α-helix	trans	-59.2	-45.8	177.1	-69.7	174	178.6	0	0	111.8	R98 R99 L100 L104 G105	R98-E102 PolarHBondContact O-N 3.1Å; R99-E102 VanDerWaalsContact CD-OE2 3.26Å; R99-E102 WeakPolarHBondContact CD-OE2 3.39Å; R99-E102 IonicContact CZ-OE2 3.65Å; R99-E102 IonicContact NE-OE2 3.93Å; R99-E102 IonicContact NH1-OE2 2.86Å; R99-E102 PolarHBondContact NH1-OE2 3.48Å; R99-E102 WeakPolarHBondContact O-CB 3.35Å; R99-E102 PolarHBondContact O-N 2.86Å; L100-E102 PolarHBondContact O-N 3.22Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.19Å; E102-G105 PolarHBondContact O-N 3.39Å; E102-G105 VanDerWaalsContact O-N 3.13Å
103	I	84.4	Confident	69.3	Low	20 Å²	20	69.9 Å²	69.9	10%	0.103	42%	0.424	C	S	.	.	H	α-helix	trans	-64.7	-40	-179.5	-63.5	164.1	0	0	0	111.1	E26 L29 R99 L100 A101 G105 L156	E26-I103 HydrophobicContact CB-CD1 4.02Å; E26-I103 HydrophobicContact CG-CD1 3.72Å; E26-I103 HydrophobicContact CG-CG1 3.91Å; E26-I103 HydrophobicContact CG-CG2 4.29Å; L29-I103 HydrophobicContact CB-CG2 3.68Å; L29-I103 HydrophobicContact CD1-CG2 4.23Å; R99-I103 HydrophobicContact CG-CD1 4.29Å; R99-I103 VanDerWaalsContact O-CG1 3.32Å; R99-I103 WeakPolarHBondContact O-CG1 3.43Å; R99-I103 PolarHBondContact O-N 3.23Å; R99-I103 VanDerWaalsContact O-N 3.13Å; L100-I103 PolarHBondContact O-N 3.26Å; A101-I103 PolarHBondContact O-N 3.34Å; I103-G105 PolarHBondContact O-N 3.47Å; I103-G105 VanDerWaalsContact O-N 3.12Å; I103-L156 HydrophobicContact CD1-CD1 4.02Å; I103-L156 HydrophobicContact CD1-CD2 4.41Å
104	L	82.8	Confident	68	Low	26 Å²	26	72.6 Å²	72.6	14%	0.136	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	9.6	178	-66	172.7	0	0	0	113.3	L29 L33 I38 V40 L100 A101 E102 L116 V119	L29-L104 HydrophobicContact CD2-CD2 4.36Å; L33-L104 HydrophobicContact CD1-CD2 4.1Å; I38-L104 HydrophobicContact CD1-CD2 3.71Å; I38-L104 HydrophobicContact CG2-CD2 4.25Å; V40-L104 HydrophobicContact CG2-CD1 4.17Å; L100-L104 HydrophobicContact CD1-CD1 4.13Å; L100-L104 HydrophobicContact CD1-CG 4.47Å; L100-L104 HydrophobicContact CG-CD1 4.01Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 2.93Å; A101-L104 PolarHBondContact O-N 3.37Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.19Å; L104-L116 HydrophobicContact CD1-CD2 3.77Å; L104-V119 HydrophobicContact CD1-CG1 4.4Å; L104-V119 HydrophobicContact CD1-CG2 3.87Å
105	G	70.8	Confident	67.5	Low	56 Å²	56	75.4 Å²	75.4	58%	0.577	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	39.8	173.9	0	0	0	0	0	113.6	A101 E102 I103 G107	A101-G105 PolarHBondContact O-N 3.43Å; E102-G105 PolarHBondContact O-N 3.39Å; E102-G105 VanDerWaalsContact O-N 3.13Å; I103-G105 PolarHBondContact O-N 3.47Å; I103-G105 VanDerWaalsContact O-N 3.12Å; G105-G107 PolarHBondContact O-N 3.01Å
106	G	56.3	Low	67.7	Low	58 Å²	58	73.6 Å²	73.6	60%	0.598	45%	0.446	S	S	*	.			trans	-32.2	107	-175.9	0	0	0	0	0	114.9	A101	A101-G106 VanDerWaalsContact O-CA 3.23Å; A101-G106 WeakPolarHBondContact O-CA 3.25Å; A101-G106 PolarHBondContact O-N 3.12Å
107	G	44.6	Very low	68.1	Low	58 Å²	58	74.2 Å²	74.2	60%	0.598	45%	0.448	S	S	*	.	S	Bend	trans	156.5	80	174.9	0	0	0	0	0	113.6	G105 Q109	G105-G107 PolarHBondContact O-N 3.01Å; G107-Q109 PolarHBondContact O-N 3.32Å
108	T	43.9	Very low	68.6	Low	111 Å²	111	73.4 Å²	73.4	68%	0.681	44%	0.443	S	S	*	.			trans	28.5	92.3	149.5	55.7	0	0	0	0	116.5	G110	T108-G110 PolarHBondContact O-N 2.89Å
109	Q	41.8	Very low	69.2	Low	186 Å²	186	64 Å²	64	87%	0.869	41%	0.407	S	S	*	.	S	Bend	trans	-81.1	80.8	144.4	-71.7	-151.2	77.2	0	0	107.8	G107	G107-Q109 PolarHBondContact O-N 3.32Å
110	G	43.8	Very low	69.7	Low	51 Å²	51	62.6 Å²	62.6	53%	0.526	40%	0.402	S	S	.	.	S	Bend	trans	85.4	71.6	164	0	0	0	0	0	117.2	T108 E112	T108-G110 PolarHBondContact O-N 2.89Å; G110-E112 WeakPolarHBondContact O-CG 3.35Å; G110-E112 PolarHBondContact O-N 3.44Å
111	G	42.2	Very low	70	Confident	80 Å²	80	62.6 Å²	62.6	83%	0.825	40%	0.402	S	S	*	.	S	Bend	trans	69.4	-13.7	146.7	0	0	0	0	0	120.2
112	E	46.7	Very low	70.4	Confident	155 Å²	155	62.5 Å²	62.5	72%	0.724	40%	0.399	S	S	*	.	S	Bend	trans	-106.2	140.3	177.8	48.8	-144.3	79.1	0	0	112.3	G110 M114	G110-E112 WeakPolarHBondContact O-CG 3.35Å; G110-E112 PolarHBondContact O-N 3.44Å; E112-M114 PolarHBondContact O-N 3.48Å; E112-M114 VanDerWaalsContact O-N 3.17Å
113	P	57.3	Low	70.4	Confident	126 Å²	126	58.4 Å²	58.4	82%	0.818	38%	0.383	S	S	*	.			trans	-62.5	118.7	177.3	25.6	-31.7	0	0	0	108.7	D115	P113-D115 PolarHBondContact O-N 2.98Å
114	M	63.7	Low	69.9	Low	116 Å²	116	58.7 Å²	58.7	57%	0.571	39%	0.386	S	S	*	.			trans	-64.2	125.4	173.6	-74.7	-178.7	161	0	0	108.8	E112 L116	E112-M114 PolarHBondContact O-N 3.48Å; E112-M114 VanDerWaalsContact O-N 3.17Å; M114-L116 VanDerWaalsContact C-N 3.34Å; M114-L116 HydrophobicContact CB-CD1 4.49Å; M114-L116 HydrophobicContact CB-CG 4.1Å; M114-L116 PolarHBondContact O-N 2.99Å
115	D	78.1	Confident	68.8	Low	59 Å²	59	65.9 Å²	65.9	32%	0.316	42%	0.419	S	S	.	.			trans	-67.1	93.9	169.7	176.4	10.4	0	0	0	108.8	V40 G41 V42 P113 H117	V40-D115 VanDerWaalsContact CG1-O 3.3Å; V40-D115 WeakPolarHBondContact CG1-O 3.35Å; G41-D115 WeakPolarHBondContact CA-O 3.47Å; G41-D115 PolarHBondContact N-O 2.82Å; G41-D115 VanDerWaalsContact N-O 3.14Å; V42-D115 WeakPolarHBondContact CB-OD2 3.28Å; V42-D115 PolarHBondContact N-OD2 3.27Å; P113-D115 PolarHBondContact O-N 2.98Å; D115-H117 VanDerWaalsContact C-N 3.31Å; D115-H117 VanDerWaalsContact OD1-CB 3.23Å; D115-H117 WeakPolarHBondContact OD1-CB 3.42Å; D115-H117 IonicContact OD1-CD2 3.03Å; D115-H117 PolarHBondContact OD1-CD2 2.95Å; D115-H117 IonicContact OD1-CG 3.42Å; D115-H117 PolarHBondContact OD1-N 3.24Å; D115-H117 VanDerWaalsContact OD1-N 3.12Å
116	L	84.9	Confident	68.1	Low	28 Å²	28	67.4 Å²	67.4	15%	0.147	42%	0.42	C	S	.	.			trans	-94.6	10.4	179.7	-68.2	164.5	0	0	0	112	V40 A62 A101 L104 M114 C118	V40-L116 HydrophobicContact CG1-CD2 3.6Å; V40-L116 HydrophobicContact CG1-CG 4.44Å; A62-L116 VanDerWaalsContact CB-O 3.31Å; A62-L116 WeakPolarHBondContact CB-O 3.42Å; A101-L116 HydrophobicContact CB-CD1 3.39Å; L104-L116 HydrophobicContact CD1-CD2 3.77Å; M114-L116 VanDerWaalsContact C-N 3.34Å; M114-L116 HydrophobicContact CB-CD1 4.49Å; M114-L116 HydrophobicContact CB-CG 4.1Å; M114-L116 PolarHBondContact O-N 2.99Å; L116-C118 PolarHBondContact O-N 3.48Å
117	H	89.2	Confident	67.9	Low	45 Å²	45	70.1 Å²	70.1	21%	0.208	43%	0.43	C	S	.	.	S	Bend	trans	-71.9	-19.1	-175.2	-63.7	-58.2	0	0	0	113	V42 L61 A62 D67 L73 F77 D115	V42-H117 HydrophobicContact CG2-CB 3.66Å; L61-H117 CarbonylContact C-O 3.53Å; L61-H117 WeakPolarHBondContact CA-O 3.43Å; A62-H117 PolarHBondContact N-O 3.31Å; A62-H117 WeakPolarHBondContact O-CA 3.44Å; A62-H117 PolarHBondContact O-ND1 3.3Å; D67-H117 IonicContact OD1-CE1 3.2Å; D67-H117 PolarHBondContact OD1-CE1 2.71Å; D67-H117 IonicContact OD1-NE2 3.82Å; D67-H117 IonicContact OD2-CE1 3.16Å; D67-H117 PolarHBondContact OD2-CE1 2.98Å; D67-H117 IonicContact OD2-ND1 3.49Å; D67-H117 PolarHBondContact OD2-ND1 2.68Å; L73-H117 HydrophobicContact CD1-CB 3.97Å; L73-H117 HydrophobicContact CD2-CB 4.45Å; F77-H117 HydrophobicContact CE1-CB 3.86Å; F77-H117 WeakPolarHBondContact CE1-O 3.43Å; F77-H117 HydrophobicContact CZ-CB 3.78Å; D115-H117 VanDerWaalsContact C-N 3.31Å; D115-H117 VanDerWaalsContact OD1-CB 3.23Å; D115-H117 WeakPolarHBondContact OD1-CB 3.42Å; D115-H117 IonicContact OD1-CD2 3.03Å; D115-H117 PolarHBondContact OD1-CD2 2.95Å; D115-H117 IonicContact OD1-CG 3.42Å; D115-H117 PolarHBondContact OD1-N 3.24Å; D115-H117 VanDerWaalsContact OD1-N 3.12Å
118	C	92.4	Very high	68.4	Low	0 Å²	0	70.7 Å²	70.7	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.1	170.5	-168.2	0	0	0	0	111.5	G41 V42 A45 I60 L61 L116	G41-C118 PolarHBondContact N-O 3.48Å; V42-C118 HydrophobicContact CB-CB 4.41Å; V42-C118 HydrophobicContact CG2-CB 3.9Å; A45-C118 HydrophobicContact CB-CB 4.04Å; A45-C118 WeakPolarHBondContact CB-SG 3.48Å; I60-C118 CarbonylContact O-C 3.54Å; I60-C118 WeakPolarHBondContact O-CA 3.31Å; L61-C118 HydrophobicContact CD2-CB 4.23Å; L116-C118 PolarHBondContact O-N 3.48Å
119	V	93.3	Very high	69.5	Low	0 Å²	0	67.1 Å²	67.1	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.8	175.3	-177.2	0	0	0	0	108.8	L29 I38 T39 V40 I60 L100 L104	L29-V119 HydrophobicContact CD2-CG1 4.16Å; I38-V119 HydrophobicContact CG2-CG1 3.47Å; I38-V119 VanDerWaalsContact CG2-CG1 3.47Å; T39-V119 CarbonylContact O-C 3.58Å; T39-V119 VanDerWaalsContact O-CA 3.3Å; T39-V119 WeakPolarHBondContact O-CA 3.25Å; V40-V119 HydrophobicContact CG2-CG1 4.45Å; V40-V119 HydrophobicContact CG2-CG2 4.42Å; I60-V119 HydrophobicContact CB-CB 4.25Å; I60-V119 PolarHBondContact N-O 2.84Å; I60-V119 PolarHBondContact O-N 3.5Å; L100-V119 HydrophobicContact CD2-CG2 3.92Å; L104-V119 HydrophobicContact CD1-CG1 4.4Å; L104-V119 HydrophobicContact CD1-CG2 3.87Å
120	L	93.6	Very high	70.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.6	173.2	-58.2	-177	0	0	0	110.3	I38 T39 A45 L49 V56 L58 C59	I38-L120 CarbonylContact C-O 3.43Å; I38-L120 VanDerWaalsContact CA-O 3.3Å; I38-L120 WeakPolarHBondContact CA-O 3.36Å; T39-L120 PolarHBondContact N-O 2.81Å; T39-L120 PolarHBondContact O-N 3.13Å; A45-L120 VanDerWaalsContact CA-CD1 3.46Å; A45-L120 HydrophobicContact CB-CD1 3.65Å; A45-L120 HydrophobicContact CB-CD2 4.21Å; A45-L120 HydrophobicContact CB-CG 3.63Å; A45-L120 WeakPolarHBondContact O-CD1 3.38Å; L49-L120 HydrophobicContact CD1-CD1 4.32Å; L49-L120 HydrophobicContact CD1-CD2 4.46Å; L49-L120 HydrophobicContact CD2-CD1 4.37Å; L49-L120 HydrophobicContact CG-CD1 3.85Å; V56-L120 HydrophobicContact CG1-CB 4.25Å; V56-L120 HydrophobicContact CG1-CD1 4.32Å; V56-L120 HydrophobicContact CG1-CD2 4.05Å; V56-L120 HydrophobicContact CG1-CG 4.45Å; V56-L120 HydrophobicContact CG2-CD1 4.23Å; L58-L120 WeakPolarHBondContact O-CA 3.48Å; C59-L120 HydrophobicContact CB-CD2 3.6Å; C59-L120 VanDerWaalsContact SG-CD2 3.55Å
121	V	92.4	Very high	72.4	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.4	166.6	-172.3	0	0	0	0	107.8	V28 L29 A32 C37 V57 L58	V28-V121 HydrophobicContact CG1-CG1 4.39Å; V28-V121 HydrophobicContact CG1-CG2 4.36Å; L29-V121 HydrophobicContact CD2-CG2 4.18Å; A32-V121 HydrophobicContact CB-CG1 3.89Å; C37-V121 WeakPolarHBondContact O-CA 3.39Å; V57-V121 HydrophobicContact CG2-CB 4.16Å; V57-V121 HydrophobicContact CG2-CG1 3.99Å; V57-V121 VanDerWaalsContact CG2-O 3.29Å; V57-V121 WeakPolarHBondContact CG2-O 3.37Å; V57-V121 PolarHBondContact N-O 2.91Å; L58-V121 HydrophobicContact CB-CB 4.07Å; L58-V121 HydrophobicContact CB-CG2 4.27Å; L58-V121 HydrophobicContact CD2-CG2 4.28Å; L58-V121 PolarHBondContact N-O 3.07Å; L58-V121 PolarHBondContact O-N 3.37Å
122	T	90.9	Very high	74.4	Confident	22 Å²	22	65.7 Å²	65.7	14%	0.135	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	156	178.2	53.2	0	0	0	0	110.9	C37 N55 V56	C37-T122 WeakPolarHBondContact CA-OG1 3.45Å; C37-T122 WeakPolarHBondContact CB-O 3.41Å; C37-T122 PolarHBondContact O-N 2.99Å; C37-T122 PolarHBondContact O-OG1 3.36Å; N55-T122 CarbonylContact O-C 3.47Å; N55-T122 WeakPolarHBondContact O-CA 3.4Å; V56-T122 HydrophobicContact CG2-CG2 4.16Å
123	S	84.9	Confident	76.4	Confident	30 Å²	30	58.6 Å²	58.6	21%	0.21	33%	0.331	C	S	.	.			trans	-74.3	135	170.4	-146.2	0	0	0	0	109.4	N55	N55-S123 PolarHBondContact ND2-O 3.38Å; N55-S123 PolarHBondContact O-N 3.42Å; N55-S123 WeakPolarHBondContact OD1-CB 3.34Å; N55-S123 PolarHBondContact OD1-N 3.47Å; N55-S123 PolarHBondContact OD1-O 3.17Å
124	P	74.1	Confident	77.9	Confident	26 Å²	26	52.9 Å²	52.9	17%	0.169	29%	0.294	C	S	.	.			trans	-66.8	143.1	164.6	30.9	-36.2	0	0	0	108.1	S126 W129	P124-S126 PolarHBondContact O-N 2.99Å; P124-W129 HydrophobicContact CG-CB 4.38Å; P124-W129 HydrophobicContact CG-CE3 3.52Å; P124-W129 HydrophobicContact CG-CZ3 4.18Å
125	H	59.3	Low	79	Confident	177 Å²	177	50.6 Å²	50.6	82%	0.819	29%	0.29	S	S	*	.	S	Bend	trans	-56.2	-2.2	-175.5	-70.1	-71.1	0	0	0	116.1	S127	H125-S127 PolarHBondContact O-N 3Å
126	S	56	Low	79.6	Confident	88 Å²	88	50.7 Å²	50.7	62%	0.615	29%	0.287	S	S	*	.	S	Bend	trans	-97.6	58	172.6	65.3	0	0	0	0	112.9	P124 S128	P124-S126 PolarHBondContact O-N 2.99Å; S126-S128 PolarHBondContact O-N 3.04Å
127	S	52.4	Low	79.9	Confident	115 Å²	115	49.3 Å²	49.3	80%	0.804	28%	0.28	S	S	*	.	S	Bend	trans	42.5	7.3	150	57.1	0	0	0	0	122.4	H125	H125-S127 PolarHBondContact O-N 3Å
128	S	56.4	Low	79.9	Confident	70 Å²	70	49.1 Å²	49.1	49%	0.49	28%	0.281	S	S	.	.			trans	-164.2	64.2	177.3	-80.5	0	0	0	0	111.2	S126 K130	S126-S128 PolarHBondContact O-N 3.04Å; S128-K130 PolarHBondContact O-N 3.35Å; S128-K130 WeakPolarHBondContact OG-CE 3.33Å
129	W	66.3	Low	79.8	Confident	35 Å²	35	56 Å²	56	13%	0.133	31%	0.306	C	S	.	.			trans	-67	82.1	155	-169.9	-64.7	0	0	0	108	L31 A32 Q35 C37 P124 D131 L134	L31-W129 HydrophobicContact CB-CH2 4.33Å; L31-W129 HydrophobicContact CB-CZ2 4.04Å; A32-W129 VanDerWaalsContact CA-CH2 3.44Å; A32-W129 HydrophobicContact CB-CH2 3.69Å; A32-W129 HydrophobicContact CB-CZ2 4.07Å; Q35-W129 HydrophobicContact CB-CZ3 4.26Å; Q35-W129 HydrophobicContact CG-CZ3 4.35Å; Q35-W129 VanDerWaalsContact NE2-CZ3 3.35Å; C37-W129 HydrophobicContact CB-CZ3 4.26Å; P124-W129 HydrophobicContact CG-CB 4.38Å; P124-W129 HydrophobicContact CG-CE3 3.52Å; P124-W129 HydrophobicContact CG-CZ3 4.18Å; W129-D131 VanDerWaalsContact C-N 3.26Å; W129-D131 HydrophobicContact CG-CB 4.5Å; W129-D131 PolarHBondContact O-N 3.17Å; W129-L134 VanDerWaalsContact CD1-CD2 3.43Å; W129-L134 HydrophobicContact CG-CD2 4.25Å
130	K	65.6	Low	79.6	Confident	169 Å²	169	57.4 Å²	57.4	74%	0.735	31%	0.313	S	S	*	.			trans	-97.7	56.9	176.5	-70.3	-177.5	-178.8	176.1	0	108.9	S128	S128-K130 PolarHBondContact O-N 3.35Å; S128-K130 WeakPolarHBondContact OG-CE 3.33Å
131	D	80.1	Confident	79.5	Confident	22 Å²	22	58 Å²	58	12%	0.118	32%	0.316	C	S	.	.			trans	-78	127	174.6	-178	-94.6	0	0	0	109.3	L31 W129 A133 L134 S135	L31-D131 WeakPolarHBondContact CD1-OD2 3.43Å; W129-D131 VanDerWaalsContact C-N 3.26Å; W129-D131 HydrophobicContact CG-CB 4.5Å; W129-D131 PolarHBondContact O-N 3.17Å; D131-A133 PolarHBondContact O-N 2.87Å; D131-A133 WeakPolarHBondContact OD1-CA 3.5Å; D131-A133 WeakPolarHBondContact OD1-CB 3.37Å; D131-A133 PolarHBondContact OD1-N 3.47Å; D131-L134 HydrophobicContact CB-CB 4.01Å; D131-L134 PolarHBondContact O-N 3.24Å; D131-L134 PolarHBondContact OD1-N 2.84Å; D131-S135 PolarHBondContact O-N 3.4Å; D131-S135 PolarHBondContact O-OG 3.37Å
132	P	85.2	Confident	79.3	Confident	97 Å²	97	65.2 Å²	65.2	63%	0.63	34%	0.344	S	S	*	.	H	α-helix	trans	-63.9	-29.9	179.8	25.9	-34	0	0	0	111.9	K136	P132-K136 WeakPolarHBondContact O-CB 3.26Å; P132-K136 PolarHBondContact O-N 3.02Å; P132-K136 VanDerWaalsContact O-N 3.1Å
133	A	87.8	Confident	79.2	Confident	5 Å²	5	67.8 Å²	67.8	4%	0.041	35%	0.354	C	S	.	.	H	α-helix	trans	-71.6	-43.1	177	0	0	0	0	0	110.9	A24 E27 V28 D131 S135 K136 V137	A24-A133 HydrophobicContact CB-CB 3.76Å; A24-A133 WeakPolarHBondContact O-CB 3.5Å; E27-A133 HydrophobicContact CB-CB 4.16Å; E27-A133 HydrophobicContact CG-CB 4.25Å; V28-A133 HydrophobicContact CG2-CB 3.92Å; D131-A133 PolarHBondContact O-N 2.87Å; D131-A133 WeakPolarHBondContact OD1-CA 3.5Å; D131-A133 WeakPolarHBondContact OD1-CB 3.37Å; D131-A133 PolarHBondContact OD1-N 3.47Å; A133-S135 PolarHBondContact O-N 3.4Å; A133-K136 WeakPolarHBondContact O-CB 3.39Å; A133-K136 PolarHBondContact O-N 3.28Å; A133-K136 VanDerWaalsContact O-N 3.12Å; A133-V137 WeakPolarHBondContact O-CG2 3.46Å; A133-V137 PolarHBondContact O-N 2.91Å
134	L	88.5	Confident	79.3	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-44.7	172.9	-176.3	63.7	0	0	0	111.8	V28 V57 L58 W129 D131 K136 V137 N138	V28-L134 HydrophobicContact CG1-CD1 4.12Å; V28-L134 HydrophobicContact CG2-CB 3.84Å; V28-L134 HydrophobicContact CG2-CD1 4.39Å; V28-L134 VanDerWaalsContact CG2-N 3.25Å; V57-L134 HydrophobicContact CB-CD2 4.45Å; V57-L134 HydrophobicContact CG2-CD1 4.41Å; V57-L134 HydrophobicContact CG2-CD2 4.02Å; L58-L134 HydrophobicContact CB-CD1 4.28Å; L58-L134 HydrophobicContact CD2-CD1 4.3Å; W129-L134 VanDerWaalsContact CD1-CD2 3.43Å; W129-L134 HydrophobicContact CG-CD2 4.25Å; D131-L134 HydrophobicContact CB-CB 4.01Å; D131-L134 PolarHBondContact O-N 3.24Å; D131-L134 PolarHBondContact OD1-N 2.84Å; L134-K136 PolarHBondContact O-N 3.02Å; L134-V137 PolarHBondContact O-N 2.66Å; L134-N138 WeakPolarHBondContact O-CB 3.43Å; L134-N138 PolarHBondContact O-N 3.39Å
135	S	88.4	Confident	79.9	Confident	69 Å²	69	69.6 Å²	69.6	48%	0.483	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-34.7	177.4	-60.3	0	0	0	0	111.8	D131 A133 R139	D131-S135 PolarHBondContact O-N 3.4Å; D131-S135 PolarHBondContact O-OG 3.37Å; A133-S135 PolarHBondContact O-N 3.4Å; S135-R139 WeakPolarHBondContact O-CB 3.47Å; S135-R139 PolarHBondContact O-N 3.26Å
136	K	90	Very high	81	Confident	60 Å²	60	63.3 Å²	63.3	26%	0.261	33%	0.33	S	S	.	.	H	α-helix	trans	-71	-43.5	177.3	-171.6	175.7	-179.1	-178.2	0	112.2	T20 A24 P132 A133 L134 R139 F140	T20-K136 WeakPolarHBondContact O-CE 3.46Å; T20-K136 PolarHBondContact O-NZ 2.97Å; T20-K136 WeakPolarHBondContact OG1-CE 3.05Å; T20-K136 PolarHBondContact OG1-NZ 3.4Å; A24-K136 HydrophobicContact CB-CB 4.47Å; A24-K136 HydrophobicContact CB-CD 4.13Å; P132-K136 WeakPolarHBondContact O-CB 3.26Å; P132-K136 PolarHBondContact O-N 3.02Å; P132-K136 VanDerWaalsContact O-N 3.1Å; A133-K136 WeakPolarHBondContact O-CB 3.39Å; A133-K136 PolarHBondContact O-N 3.28Å; A133-K136 VanDerWaalsContact O-N 3.12Å; L134-K136 PolarHBondContact O-N 3.02Å; K136-R139 PolarHBondContact O-N 3.33Å; K136-F140 PolarHBondContact O-N 3.24Å
137	V	90.9	Very high	82.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.1	-46.7	174.9	177	0	0	0	0	110.4	V21 A24 L25 L58 L92 A133 L134 R139 F140 C141	V21-V137 HydrophobicContact CG1-CG2 4.34Å; A24-V137 HydrophobicContact CB-CG2 4.12Å; L25-V137 HydrophobicContact CB-CG2 4.26Å; L58-V137 HydrophobicContact CD1-CG1 3.78Å; L58-V137 HydrophobicContact CD2-CG1 4.11Å; L92-V137 HydrophobicContact CD2-CG1 3.55Å; A133-V137 WeakPolarHBondContact O-CG2 3.46Å; A133-V137 PolarHBondContact O-N 2.91Å; L134-V137 PolarHBondContact O-N 2.66Å; V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.27Å; V137-F140 WeakPolarHBondContact O-CA 3.47Å; V137-F140 WeakPolarHBondContact O-CB 3.14Å; V137-F140 PolarHBondContact O-N 2.69Å; V137-F140 VanDerWaalsContact O-N 3.07Å; V137-C141 PolarHBondContact O-N 2.94Å
138	N	89.9	Confident	83.9	Confident	41 Å²	41	66.5 Å²	66.5	22%	0.219	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-38.7	177.9	-72.8	-10.6	0	0	0	112.4	S90 L134 C141 R142	S90-N138 VanDerWaalsContact CB-OD1 3.31Å; S90-N138 WeakPolarHBondContact CB-OD1 3.46Å; S90-N138 PolarHBondContact OG-OD1 3.14Å; L134-N138 WeakPolarHBondContact O-CB 3.43Å; L134-N138 PolarHBondContact O-N 3.39Å; N138-C141 PolarHBondContact O-N 2.86Å; N138-R142 WeakPolarHBondContact O-CB 3.46Å; N138-R142 PolarHBondContact O-N 3.24Å
139	R	89.5	Confident	85.3	Confident	143 Å²	143	67.4 Å²	67.4	54%	0.54	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-43.9	173	178.4	171.8	58.7	171.7	-0.6	111.3	S135 K136 V137 R142 E143	S135-R139 WeakPolarHBondContact O-CB 3.47Å; S135-R139 PolarHBondContact O-N 3.26Å; K136-R139 PolarHBondContact O-N 3.33Å; V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.27Å; R139-R142 PolarHBondContact O-N 2.91Å; R139-E143 HydrophobicContact CG-CG 4.28Å; R139-E143 WeakPolarHBondContact CG-OE1 3.47Å; R139-E143 WeakPolarHBondContact O-CB 3.4Å; R139-E143 WeakPolarHBondContact O-CG 3.36Å; R139-E143 PolarHBondContact O-N 3.05Å
140	F	90.1	Very high	86.1	Confident	31 Å²	31	71.4 Å²	71.4	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-48.6	176.4	172.9	-103.8	0	0	0	111.7	V21 K136 V137 R142 E143 S144 P152 I154	V21-F140 HydrophobicContact CG1-CB 4.01Å; V21-F140 HydrophobicContact CG1-CD1 3.85Å; V21-F140 HydrophobicContact CG1-CE1 4.43Å; V21-F140 HydrophobicContact CG1-CG 3.87Å; V21-F140 HydrophobicContact CG2-CB 4.1Å; V21-F140 HydrophobicContact CG2-CD2 4.19Å; V21-F140 HydrophobicContact CG2-CG 4.16Å; K136-F140 PolarHBondContact O-N 3.24Å; V137-F140 WeakPolarHBondContact O-CA 3.47Å; V137-F140 WeakPolarHBondContact O-CB 3.14Å; V137-F140 PolarHBondContact O-N 2.69Å; V137-F140 VanDerWaalsContact O-N 3.07Å; F140-R142 VanDerWaalsContact C-N 3.3Å; F140-R142 PolarHBondContact O-N 3.2Å; F140-E143 PolarHBondContact O-N 3.47Å; F140-S144 WeakPolarHBondContact O-CB 3.21Å; F140-S144 PolarHBondContact O-N 2.92Å; F140-S144 PolarHBondContact O-OG 3.28Å; F140-P152 HydrophobicContact CD1-CB 4.4Å; F140-P152 HydrophobicContact CD1-CG 4.24Å; F140-P152 HydrophobicContact CE1-CB 3.54Å; F140-P152 HydrophobicContact CE1-CG 3.82Å; F140-P152 HydrophobicContact CZ-CB 3.89Å; F140-I154 HydrophobicContact CD1-CD1 4.05Å; F140-I154 HydrophobicContact CD1-CG1 4.48Å; F140-I154 HydrophobicContact CE1-CD1 3.76Å; F140-I154 HydrophobicContact CE1-CG1 3.7Å; F140-I154 HydrophobicContact CZ-CG1 4.33Å
141	C	90.2	Very high	87.2	Confident	11 Å²	11	64.3 Å²	64.3	7%	0.074	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-41.9	174.9	-67.9	0	0	0	0	112.4	I91 V137 N138 R145	I91-C141 PolarHBondContact O-SG 3.37Å; V137-C141 PolarHBondContact O-N 2.94Å; N138-C141 PolarHBondContact O-N 2.86Å; C141-R145 WeakPolarHBondContact O-CB 3.4Å; C141-R145 PolarHBondContact O-N 3.05Å
142	R	88.4	Confident	87.7	Confident	152 Å²	152	63.3 Å²	63.3	57%	0.574	31%	0.305	S	S	*	.	H	α-helix	trans	-66.9	-42.3	178	-172.4	179.9	-63	-85.7	-5.9	112.8	D88 N138 R139 F140 R145 C146	D88-R142 IonicContact OD1-NH2 2.71Å; N138-R142 WeakPolarHBondContact O-CB 3.46Å; N138-R142 PolarHBondContact O-N 3.24Å; R139-R142 PolarHBondContact O-N 2.91Å; F140-R142 VanDerWaalsContact C-N 3.3Å; F140-R142 PolarHBondContact O-N 3.2Å; R142-R145 PolarHBondContact O-N 2.96Å; R142-C146 PolarHBondContact O-N 3.47Å; R142-C146 VanDerWaalsContact O-N 3.14Å
143	E	88.3	Confident	87.9	Confident	77 Å²	77	62 Å²	62	36%	0.36	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-45.6	176.2	-75.1	176.5	-174.1	0	0	110.9	R17 R139 F140 R145 C146 M147	R17-E143 IonicContact CZ-OE2 3.86Å; R17-E143 IonicContact NH2-OE2 2.69Å; R17-E143 PolarHBondContact NH2-OE2 3.49Å; R139-E143 HydrophobicContact CG-CG 4.28Å; R139-E143 WeakPolarHBondContact CG-OE1 3.47Å; R139-E143 WeakPolarHBondContact O-CB 3.4Å; R139-E143 WeakPolarHBondContact O-CG 3.36Å; R139-E143 PolarHBondContact O-N 3.05Å; F140-E143 PolarHBondContact O-N 3.47Å; E143-R145 VanDerWaalsContact C-N 3.31Å; E143-R145 PolarHBondContact O-N 3.47Å; E143-C146 PolarHBondContact O-N 2.95Å; E143-C146 VanDerWaalsContact O-N 3.14Å; E143-M147 PolarHBondContact O-N 3.1Å
144	S	88.3	Confident	87.9	Confident	9 Å²	9	62 Å²	62	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-39.9	174.4	-70.8	0	0	0	0	112.4	F140 C146 M147 D148 Q149 P152	F140-S144 WeakPolarHBondContact O-CB 3.21Å; F140-S144 PolarHBondContact O-N 2.92Å; F140-S144 PolarHBondContact O-OG 3.28Å; S144-C146 VanDerWaalsContact C-N 3.34Å; S144-C146 PolarHBondContact O-N 3.14Å; S144-M147 CarbonylContact O-C 3.42Å; S144-M147 WeakPolarHBondContact O-CA 3.47Å; S144-M147 WeakPolarHBondContact O-CB 3.2Å; S144-M147 PolarHBondContact O-N 3.49Å; S144-D148 PolarHBondContact O-N 3.48Å; S144-Q149 CarbonylContact C-O 3.59Å; S144-Q149 VanDerWaalsContact C-O 3.3Å; S144-Q149 WeakPolarHBondContact CB-O 3.44Å; S144-Q149 WeakPolarHBondContact O-CA 3.26Å; S144-Q149 WeakPolarHBondContact O-CB 3.44Å; S144-Q149 PolarHBondContact O-N 3.04Å; S144-Q149 PolarHBondContact OG-OE1 3.33Å; S144-P152 WeakPolarHBondContact OG-CB 3.17Å
145	R	86.3	Confident	87.6	Confident	84 Å²	84	66.1 Å²	66.1	32%	0.317	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-34.4	175.6	-169.2	177.4	-179.7	178.3	1.7	113.1	C85 D88 C141 R142 E143 M147 D148 W150	C85-R145 PolarHBondContact O-NH2 3.37Å; D88-R145 IonicContact OD2-CZ 2.68Å; D88-R145 IonicContact OD2-NH1 3.79Å; D88-R145 PolarHBondContact OD2-NH1 3.31Å; C141-R145 WeakPolarHBondContact O-CB 3.4Å; C141-R145 PolarHBondContact O-N 3.05Å; R142-R145 PolarHBondContact O-N 2.96Å; E143-R145 VanDerWaalsContact C-N 3.31Å; E143-R145 PolarHBondContact O-N 3.47Å; R145-M147 PolarHBondContact O-N 3.13Å; R145-D148 PolarHBondContact O-N 2.09Å; R145-W150 HydrophobicContact CG-CD2 4.45Å; R145-W150 HydrophobicContact CG-CE3 3.96Å; R145-W150 HydrophobicContact CG-CH2 4.43Å; R145-W150 HydrophobicContact CG-CZ3 4Å
146	C	83.4	Confident	87.1	Confident	45 Å²	45	63.1 Å²	63.1	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-67.8	-14.7	172.1	-64.9	0	0	0	0	112.3	C2 R142 E143 S144	C2-C146 HydrophobicContact CB-CB 3.99Å; C2-C146 WeakPolarHBondContact CB-SG 3.07Å; C2-C146 WeakPolarHBondContact SG-CB 3.5Å; C2-C146 CovalentContact SG-SG 2.09Å; C2-C146 PolarHBondContact SG-SG 3.44Å; R142-C146 PolarHBondContact O-N 3.47Å; R142-C146 VanDerWaalsContact O-N 3.14Å; E143-C146 PolarHBondContact O-N 2.95Å; E143-C146 VanDerWaalsContact O-N 3.14Å; S144-C146 VanDerWaalsContact C-N 3.34Å; S144-C146 PolarHBondContact O-N 3.14Å
147	M	84.6	Confident	86.1	Confident	141 Å²	141	62.1 Å²	62.1	70%	0.695	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	21.1	178.1	-62.7	-63.2	-59.9	0	0	112.7	E143 S144 R145 Q149	E143-M147 PolarHBondContact O-N 3.1Å; S144-M147 CarbonylContact O-C 3.42Å; S144-M147 WeakPolarHBondContact O-CA 3.47Å; S144-M147 WeakPolarHBondContact O-CB 3.2Å; S144-M147 PolarHBondContact O-N 3.49Å; R145-M147 PolarHBondContact O-N 3.13Å; M147-Q149 PolarHBondContact O-N 2.96Å
148	D	83	Confident	84.9	Confident	130 Å²	130	70.4 Å²	70.4	70%	0.695	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	14.4	-176.1	-66.6	-72.3	0	0	0	114.7	S144 R145 W150	S144-D148 PolarHBondContact O-N 3.48Å; R145-D148 PolarHBondContact O-N 2.09Å; D148-W150 VanDerWaalsContact O-CD1 3.3Å; D148-W150 PolarHBondContact O-N 3.15Å
149	Q	86.6	Confident	83.3	Confident	89 Å²	89	80.9 Å²	80.9	42%	0.416	37%	0.367	S	S	.	.			trans	-95.8	82.1	173.5	-169.6	-177.4	45.2	0	0	109.6	S144 M147 V151 P152	S144-Q149 CarbonylContact C-O 3.59Å; S144-Q149 VanDerWaalsContact C-O 3.3Å; S144-Q149 WeakPolarHBondContact CB-O 3.44Å; S144-Q149 WeakPolarHBondContact O-CA 3.26Å; S144-Q149 WeakPolarHBondContact O-CB 3.44Å; S144-Q149 PolarHBondContact O-N 3.04Å; S144-Q149 PolarHBondContact OG-OE1 3.33Å; M147-Q149 PolarHBondContact O-N 2.96Å; Q149-V151 VanDerWaalsContact C-N 3.34Å; Q149-V151 PolarHBondContact O-N 2.92Å; Q149-P152 HydrophobicContact CG-CB 4.38Å
150	W	83.8	Confident	83	Confident	118 Å²	118	77.8 Å²	77.8	45%	0.447	36%	0.359	S	S	.	.	S	Bend	trans	-63.7	-34.4	-174.4	-65.9	88.6	0	0	0	114.4	C85 R145 D148	C85-W150 HydrophobicContact CB-CE3 4.48Å; R145-W150 HydrophobicContact CG-CD2 4.45Å; R145-W150 HydrophobicContact CG-CE3 3.96Å; R145-W150 HydrophobicContact CG-CH2 4.43Å; R145-W150 HydrophobicContact CG-CZ3 4Å; D148-W150 VanDerWaalsContact O-CD1 3.3Å; D148-W150 PolarHBondContact O-N 3.15Å
151	V	88.7	Confident	82.6	Confident	21 Å²	21	80.3 Å²	80.3	13%	0.127	37%	0.37	C	S	.	.	S	Bend	trans	-124.6	92.2	173.5	-174.2	0	0	0	0	108	Q81 I91 R93 Q149	Q81-V151 HydrophobicContact CB-CG2 4.48Å; Q81-V151 HydrophobicContact CG-CG2 3.5Å; Q81-V151 VanDerWaalsContact CG-CG2 3.5Å; Q81-V151 VanDerWaalsContact OE1-CG2 3.31Å; I91-V151 HydrophobicContact CD1-CG2 4.45Å; I91-V151 HydrophobicContact CG1-CG1 4.46Å; I91-V151 HydrophobicContact CG2-CG2 4.04Å; R93-V151 HydrophobicContact CB-CG1 3.84Å; Q149-V151 VanDerWaalsContact C-N 3.34Å; Q149-V151 PolarHBondContact O-N 2.92Å
152	P	90.3	Very high	82.2	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	39%	0.387	C	S	.	.			trans	-66.8	146.7	176.1	29.1	-35.8	0	0	0	110.9	I91 L92 R93 F140 S144 Q149	I91-P152 WeakPolarHBondContact O-CD 3.4Å; L92-P152 WeakPolarHBondContact CA-O 3.39Å; L92-P152 HydrophobicContact CB-CG 4.17Å; R93-P152 PolarHBondContact N-O 3.47Å; F140-P152 HydrophobicContact CD1-CB 4.4Å; F140-P152 HydrophobicContact CD1-CG 4.24Å; F140-P152 HydrophobicContact CE1-CB 3.54Å; F140-P152 HydrophobicContact CE1-CG 3.82Å; F140-P152 HydrophobicContact CZ-CB 3.89Å; S144-P152 WeakPolarHBondContact OG-CB 3.17Å; Q149-P152 HydrophobicContact CG-CB 4.38Å
153	I	88.7	Confident	81.8	Confident	69 Å²	69	80.1 Å²	80.1	35%	0.354	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.9	179.2	-59.3	168.7	0	0	0	108.7	R93	R93-I153 HydrophobicContact CB-CG1 4.15Å; R93-I153 HydrophobicContact CG-CG1 4.48Å; R93-I153 CarbonylContact O-C 3.53Å; R93-I153 WeakPolarHBondContact O-CA 3.45Å
154	I	87.8	Confident	81.4	Confident	6 Å²	6	80.3 Å²	80.3	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.6	174.9	-58.9	-179.6	0	0	0	108.4	V21 A22 L25 L92 R93 V94 F140	V21-I154 HydrophobicContact CG1-CD1 3.71Å; A22-I154 HydrophobicContact CB-CG2 3.76Å; L25-I154 HydrophobicContact CD2-CD1 4.34Å; L92-I154 HydrophobicContact CD1-CD1 4.23Å; L92-I154 HydrophobicContact CD2-CD1 3.83Å; L92-I154 HydrophobicContact CG-CD1 4.46Å; R93-I154 PolarHBondContact O-N 3.14Å; V94-I154 WeakPolarHBondContact CA-O 3.33Å; F140-I154 HydrophobicContact CD1-CD1 4.05Å; F140-I154 HydrophobicContact CD1-CG1 4.48Å; F140-I154 HydrophobicContact CE1-CD1 3.76Å; F140-I154 HydrophobicContact CE1-CG1 3.7Å; F140-I154 HydrophobicContact CZ-CG1 4.33Å
155	N	83.1	Confident	80.9	Confident	93 Å²	93	85.1 Å²	85.1	50%	0.497	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-92.6	119.4	169.6	-62.7	-66.1	0	0	0	108.1	N95	N95-N155 PolarHBondContact ND2-OD1 2.85Å
156	L	77.9	Confident	80.6	Confident	6 Å²	6	85.1 Å²	85.1	3%	0.031	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-70.5	132.3	171.4	-67	172	0	0	0	108.4	L25 V94 R99 L100 I103 E158	L25-L156 HydrophobicContact CD2-CD2 4.18Å; V94-L156 HydrophobicContact CG1-CD1 3.64Å; V94-L156 HydrophobicContact CG1-CG 3.77Å; R99-L156 HydrophobicContact CB-CB 4.11Å; R99-L156 HydrophobicContact CB-CD1 4.08Å; R99-L156 HydrophobicContact CG-CB 3.61Å; R99-L156 HydrophobicContact CG-CD1 3.89Å; R99-L156 HydrophobicContact CG-CG 4.37Å; L100-L156 HydrophobicContact CB-CD1 4.24Å; I103-L156 HydrophobicContact CD1-CD1 4.02Å; I103-L156 HydrophobicContact CD1-CD2 4.41Å; L156-E158 PolarHBondContact O-N 3.32Å
157	P	69.1	Low	80.3	Confident	39 Å²	39	88.2 Å²	88.2	25%	0.253	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-64.7	134.6	-179.6	26.2	-33.4	0	0	0	110.7	R159	P157-R159 PolarHBondContact O-N 2.99Å
158	E	64.2	Low	80	Confident	174 Å²	174	83.8 Å²	83.8	81%	0.813	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-73	117.8	167.5	-60	-178.1	104	0	0	107.3	L156	L156-E158 PolarHBondContact O-N 3.32Å
159	R	56.7	Low	79.7	Confident	261 Å²	261	79.6 Å²	79.6	99%	0.985	36%	0.36	S	S	*	.			trans	-90.7	0	177.4	-82.4	-176.4	76.8	-173.7	0.4	111.9	R99 P157	R99-R159 VanDerWaalsContact NH2-CD 3.32Å; P157-R159 PolarHBondContact O-N 2.99Å

Retrieved 159 of 159 residues in 45.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).