A0A5K4F9I9_SCHMA Loading...

CRAL-TRIO domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F9I9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 147 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	35	Very low	50.3	Low	243 Å²	243	140.2 Å²	140.2	100%	1.197	77%	0.771	S	S	*	*				0	89.4	0	-74.7	170.8	133.6	0	0	107.6
2	T	49.8	Very low	50.1	Low	137 Å²	137	141.8 Å²	141.8	84%	0.84	77%	0.769	S	S	*	*			trans	-94.1	133.7	149.9	18.1	0	0	0	0	105.8	D4	T2-D4 VanDerWaalsContact C-N 3.33Å; T2-D4 PolarHBondContact O-N 3.37Å
3	P	51.8	Low	50.1	Low	114 Å²	114	146.9 Å²	146.9	74%	0.74	77%	0.771	S	S	*	*	S	Bend	trans	-84.4	-5.7	-157	-7.3	26.8	0	0	0	114.4
4	D	59.7	Low	49.8	Very low	129 Å²	129	148.5 Å²	148.5	69%	0.69	77%	0.772	S	S	*	*	S	Bend	trans	-122.1	106.6	-166.2	-56.5	-42.7	0	0	0	109.6	T2 L6	T2-D4 VanDerWaalsContact C-N 3.33Å; T2-D4 PolarHBondContact O-N 3.37Å; D4-L6 PolarHBondContact O-N 3.42Å
5	G	53.3	Low	49.2	Very low	83 Å²	83	148.1 Å²	148.1	86%	0.856	77%	0.77	S	S	*	*			trans	-70.5	62.9	-176.2	0	0	0	0	0	114.3	I7	G5-I7 PolarHBondContact O-N 2.82Å
6	L	54	Low	48	Very low	151 Å²	151	142.8 Å²	142.8	79%	0.791	76%	0.762	S	S	*	*			trans	-83.8	98.7	161.8	-100.1	86.2	0	0	0	108.8	D4	D4-L6 PolarHBondContact O-N 3.42Å
7	I	52	Low	46.9	Very low	159 Å²	159	141.9 Å²	141.9	82%	0.815	77%	0.769	S	S	*	*			trans	-103.3	90.7	155.2	-53.2	167.9	0	0	0	104.8	G5	G5-I7 PolarHBondContact O-N 2.82Å
8	D	48.1	Very low	46.1	Very low	92 Å²	92	139.2 Å²	139.2	49%	0.492	77%	0.768	S	S	.	*			trans	23.5	92.4	157.1	-60.5	-30.7	0	0	0	118.1	D10 F11	D8-D10 PolarHBondContact O-N 3.46Å; D8-D10 VanDerWaalsContact O-N 3.1Å; D8-F11 HydrophobicContact CB-CD2 3.84Å; D8-F11 HydrophobicContact CB-CE2 4.37Å; D8-F11 PolarHBondContact O-N 2.67Å
9	E	54.7	Low	45.5	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-4.5	160.5	-65.8	-175.8	161.9	0	0	112.9
10	D	54.9	Low	45	Very low	113 Å²	113	139.6 Å²	139.6	60%	0.604	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-14.2	175.8	-86	-29.4	0	0	0	113.9	D8 E12 R13	D8-D10 PolarHBondContact O-N 3.46Å; D8-D10 VanDerWaalsContact O-N 3.1Å; D10-E12 VanDerWaalsContact C-N 3.33Å; D10-E12 PolarHBondContact O-N 2.67Å; D10-R13 PolarHBondContact O-N 3.11Å
11	F	40.4	Very low	45	Very low	137 Å²	137	141 Å²	141	60%	0.601	78%	0.777	S	S	*	*	H	α-helix	trans	-70.1	-27.6	175	-95.2	-88.7	0	0	0	113.2	D8 R13 E14	D8-F11 HydrophobicContact CB-CD2 3.84Å; D8-F11 HydrophobicContact CB-CE2 4.37Å; D8-F11 PolarHBondContact O-N 2.67Å; F11-R13 VanDerWaalsContact C-N 3.27Å; F11-R13 PolarHBondContact O-N 2.89Å; F11-E14 PolarHBondContact O-N 2.88Å
12	E	47.6	Very low	45.7	Very low	160 Å²	160	134.8 Å²	134.8	75%	0.748	75%	0.748	S	S	*	*	H	α-helix	trans	-72.9	-19.5	-179.6	-66.9	-164	163.7	0	0	113	D10	D10-E12 VanDerWaalsContact C-N 3.33Å; D10-E12 PolarHBondContact O-N 2.67Å
13	R	50.8	Low	46.1	Very low	208 Å²	208	131.2 Å²	131.2	79%	0.785	73%	0.728	S	S	*	*	H	α-helix	trans	-86.5	-19.6	176.5	-83.3	-177.7	174.9	136.5	0.7	114.2	D10 F11	D10-R13 PolarHBondContact O-N 3.11Å; F11-R13 VanDerWaalsContact C-N 3.27Å; F11-R13 PolarHBondContact O-N 2.89Å
14	E	45.7	Very low	46.6	Very low	169 Å²	169	127.1 Å²	127.1	79%	0.79	70%	0.701	S	S	*	*	H	α-helix	trans	-81.3	-15.9	170.2	-86.6	-169.9	153.7	0	0	113	F11 G16	F11-E14 PolarHBondContact O-N 2.88Å; E14-G16 PolarHBondContact O-N 2.96Å
15	L	40.4	Very low	46.9	Very low	143 Å²	143	123 Å²	123	75%	0.749	68%	0.677	S	S	*	*	S	Bend	trans	-78.1	51.9	164.5	-81.2	157.4	0	0	0	111.1	C17	L15-C17 PolarHBondContact O-N 2.79Å
16	G	30	Very low	47.5	Very low	62 Å²	62	122.8 Å²	122.8	64%	0.639	66%	0.657	S	S	*	*			trans	-47.7	120.8	-177.1	0	0	0	0	0	113.2	E14	E14-G16 PolarHBondContact O-N 2.96Å
17	C	29.8	Very low	48	Very low	129 Å²	129	118.5 Å²	118.5	87%	0.872	64%	0.637	S	S	*	*	S	Bend	trans	59.1	97.1	164.4	-83.9	0	0	0	0	117.5	L15	L15-C17 PolarHBondContact O-N 2.79Å
18	A	32.3	Very low	48.6	Very low	92 Å²	92	111.3 Å²	111.3	76%	0.76	60%	0.6	S	S	*	*			trans	60.1	86.2	153.6	0	0	0	0	0	116.3	K20	A18-K20 PolarHBondContact O-N 3.07Å
19	A	33.5	Very low	49.6	Very low	113 Å²	113	110 Å²	110	93%	0.934	59%	0.593	S	S	*	*			trans	-64.9	71.7	151.3	0	0	0	0	0	109.3	E21	A19-E21 PolarHBondContact O-N 2.67Å
20	K	35.9	Very low	50.4	Low	174 Å²	174	105.4 Å²	105.4	76%	0.757	58%	0.581	S	S	*	*			trans	-66.8	120.8	164.3	-161.2	172.5	-173.8	176.9	0	105	A18 L22	A18-K20 PolarHBondContact O-N 3.07Å; K20-L22 VanDerWaalsContact C-N 3.33Å; K20-L22 PolarHBondContact O-N 2.81Å
21	E	44.5	Very low	51	Low	170 Å²	170	104.8 Å²	104.8	79%	0.794	58%	0.578	S	S	*	*			trans	-54.5	98.4	174.2	-166.4	177.9	178.2	0	0	107.8	A19 S23	A19-E21 PolarHBondContact O-N 2.67Å; E21-S23 PolarHBondContact O-N 2.89Å
22	L	50.9	Low	52.3	Low	112 Å²	112	100.6 Å²	100.6	59%	0.586	56%	0.559	S	S	*	*			trans	-64.5	124	-179.8	-97.6	97.3	0	0	0	107.4	K20 D26 V27	K20-L22 VanDerWaalsContact C-N 3.33Å; K20-L22 PolarHBondContact O-N 2.81Å; L22-D26 HydrophobicContact CB-CB 4.4Å; L22-D26 HydrophobicContact CD2-CB 3.87Å; L22-D26 HydrophobicContact CG-CB 4.21Å; L22-V27 HydrophobicContact CB-CG2 4.19Å; L22-V27 HydrophobicContact CD2-CG2 4.11Å
23	S	58.3	Low	53.3	Low	62 Å²	62	95.6 Å²	95.6	43%	0.434	54%	0.54	S	S	.	.			trans	-60.7	146.7	169.2	178.2	0	0	0	0	108.4	E21 Q25 D26 V27	E21-S23 PolarHBondContact O-N 2.89Å; S23-Q25 PolarHBondContact O-N 2.83Å; S23-Q25 VanDerWaalsContact O-N 3.07Å; S23-Q25 PolarHBondContact OG-N 3.24Å; S23-D26 VanDerWaalsContact CB-OD2 3.32Å; S23-D26 WeakPolarHBondContact CB-OD2 3.36Å; S23-D26 PolarHBondContact N-OD2 3.32Å; S23-D26 WeakPolarHBondContact O-CA 3.26Å; S23-D26 WeakPolarHBondContact O-CB 3.44Å; S23-D26 PolarHBondContact O-N 2.95Å; S23-V27 PolarHBondContact O-N 3.39Å; S23-V27 VanDerWaalsContact O-N 3.16Å
24	V	61.8	Low	53.7	Low	27 Å²	27	91.2 Å²	91.2	16%	0.164	53%	0.532	C	S	.	.	H	α-helix	trans	-54.3	-30.5	171.9	173.8	0	0	0	0	110.6	V27 I28 K52 I54	V24-V27 PolarHBondContact O-N 3.39Å; V24-I28 HydrophobicContact CG1-CD1 3.73Å; V24-I28 HydrophobicContact CG1-CG1 4.37Å; V24-I28 WeakPolarHBondContact O-CB 3.36Å; V24-I28 WeakPolarHBondContact O-CD1 3.2Å; V24-I28 WeakPolarHBondContact O-CG1 3.32Å; V24-I28 PolarHBondContact O-N 2.9Å; V24-K52 HydrophobicContact CG2-CB 3.58Å; V24-K52 HydrophobicContact CG2-CD 3.48Å; V24-K52 VanDerWaalsContact CG2-CD 3.48Å; V24-K52 HydrophobicContact CG2-CG 3.55Å; V24-I54 HydrophobicContact CG1-CD1 3.78Å; V24-I54 HydrophobicContact CG1-CG1 3.56Å
25	Q	65.7	Low	54.5	Low	42 Å²	42	85.3 Å²	85.3	20%	0.196	51%	0.506	C	S	.	.	H	α-helix	trans	-62.8	-43.2	172.4	-164.6	62.1	57.2	0	0	111.9	S23 V27 I28 D29	S23-Q25 PolarHBondContact O-N 2.83Å; S23-Q25 VanDerWaalsContact O-N 3.07Å; S23-Q25 PolarHBondContact OG-N 3.24Å; Q25-V27 VanDerWaalsContact C-N 3.3Å; Q25-V27 PolarHBondContact O-N 3.19Å; Q25-I28 PolarHBondContact O-N 3.27Å; Q25-D29 PolarHBondContact NE2-OD1 3.48Å; Q25-D29 VanDerWaalsContact O-CB 3.3Å; Q25-D29 WeakPolarHBondContact O-CB 3.26Å; Q25-D29 PolarHBondContact O-N 2.74Å; Q25-D29 VanDerWaalsContact O-OD1 3.05Å
26	D	65.8	Low	55.6	Low	79 Å²	79	79.7 Å²	79.7	42%	0.422	48%	0.478	S	S	.	.	H	α-helix	trans	-64	-36.6	178.5	-56.7	-36.8	0	0	0	111.6	L22 S23 D29 S30	L22-D26 HydrophobicContact CB-CB 4.4Å; L22-D26 HydrophobicContact CD2-CB 3.87Å; L22-D26 HydrophobicContact CG-CB 4.21Å; S23-D26 VanDerWaalsContact CB-OD2 3.32Å; S23-D26 WeakPolarHBondContact CB-OD2 3.36Å; S23-D26 PolarHBondContact N-OD2 3.32Å; S23-D26 WeakPolarHBondContact O-CA 3.26Å; S23-D26 WeakPolarHBondContact O-CB 3.44Å; S23-D26 PolarHBondContact O-N 2.95Å; D26-D29 PolarHBondContact O-N 3.48Å; D26-S30 WeakPolarHBondContact O-CB 3.32Å; D26-S30 PolarHBondContact O-N 3.24Å
27	V	65.8	Low	57.4	Low	62 Å²	62	86.6 Å²	86.6	38%	0.376	49%	0.485	S	S	.	.	H	α-helix	trans	-67.1	-45.8	174.7	-179.1	0	0	0	0	110.7	L22 S23 V24 Q25 D29 S30 D31	L22-V27 HydrophobicContact CB-CG2 4.19Å; L22-V27 HydrophobicContact CD2-CG2 4.11Å; S23-V27 PolarHBondContact O-N 3.39Å; S23-V27 VanDerWaalsContact O-N 3.16Å; V24-V27 PolarHBondContact O-N 3.39Å; Q25-V27 VanDerWaalsContact C-N 3.3Å; Q25-V27 PolarHBondContact O-N 3.19Å; V27-D29 VanDerWaalsContact C-N 3.3Å; V27-D29 PolarHBondContact O-N 2.8Å; V27-S30 PolarHBondContact O-N 2.85Å; V27-D31 WeakPolarHBondContact O-CB 3.2Å; V27-D31 PolarHBondContact O-N 2.79Å
28	I	64.2	Low	59	Low	8 Å²	8	84 Å²	84	4%	0.041	46%	0.462	C	S	.	.	H	α-helix	trans	-62	-41.1	176.9	-68.6	162	0	0	0	110.7	V24 Q25 S30 Y32 L41 I54	V24-I28 HydrophobicContact CG1-CD1 3.73Å; V24-I28 HydrophobicContact CG1-CG1 4.37Å; V24-I28 WeakPolarHBondContact O-CB 3.36Å; V24-I28 WeakPolarHBondContact O-CD1 3.2Å; V24-I28 WeakPolarHBondContact O-CG1 3.32Å; V24-I28 PolarHBondContact O-N 2.9Å; Q25-I28 PolarHBondContact O-N 3.27Å; I28-S30 VanDerWaalsContact C-N 3.33Å; I28-Y32 CarbonylContact O-C 3.6Å; I28-Y32 WeakPolarHBondContact O-CA 3.35Å; I28-Y32 PolarHBondContact O-N 3.23Å; I28-L41 HydrophobicContact CD1-CB 4.21Å; I28-L41 HydrophobicContact CG2-CB 3.76Å; I28-L41 HydrophobicContact CG2-CD1 4.17Å; I28-I54 HydrophobicContact CD1-CD1 4.16Å; I28-I54 HydrophobicContact CD1-CG1 4.23Å; I28-I54 HydrophobicContact CD1-CG2 3.93Å
29	D	69.8	Low	60.5	Low	64 Å²	64	80.4 Å²	80.4	34%	0.342	43%	0.434	S	S	.	.	H	α-helix	trans	-68.1	-34.5	-179.1	-67.5	0.3	0	0	0	111.6	Q25 D26 V27 P33 S36	Q25-D29 PolarHBondContact NE2-OD1 3.48Å; Q25-D29 VanDerWaalsContact O-CB 3.3Å; Q25-D29 WeakPolarHBondContact O-CB 3.26Å; Q25-D29 PolarHBondContact O-N 2.74Å; Q25-D29 VanDerWaalsContact O-OD1 3.05Å; D26-D29 PolarHBondContact O-N 3.48Å; V27-D29 VanDerWaalsContact C-N 3.3Å; V27-D29 PolarHBondContact O-N 2.8Å; D29-P33 WeakPolarHBondContact O-CA 3.47Å; D29-S36 VanDerWaalsContact OD1-CB 3.26Å; D29-S36 WeakPolarHBondContact OD1-CB 3.35Å; D29-S36 PolarHBondContact OD1-OG 2.94Å
30	S	71.2	Confident	62	Low	88 Å²	88	75 Å²	75	62%	0.615	39%	0.389	S	S	*	.	H	α-helix	trans	-74.8	-47.8	175.4	-177.2	0	0	0	0	112.8	D26 V27 I28	D26-S30 WeakPolarHBondContact O-CB 3.32Å; D26-S30 PolarHBondContact O-N 3.24Å; V27-S30 PolarHBondContact O-N 2.85Å; I28-S30 VanDerWaalsContact C-N 3.33Å
31	D	67.3	Low	63.4	Low	100 Å²	100	67 Å²	67	54%	0.535	36%	0.355	S	S	.	.	H	α-helix	trans	-82.7	-27.1	-172.3	-71.2	-12	0	0	0	112.7	V27	V27-D31 WeakPolarHBondContact O-CB 3.2Å; V27-D31 PolarHBondContact O-N 2.79Å
32	Y	67	Low	64.4	Low	49 Å²	49	61.7 Å²	61.7	19%	0.192	33%	0.33	C	S	.	.			trans	-140.7	58.5	-174.2	-54.2	-77.1	0	0	0	112.2	I28 D34 I35 S36 F75	I28-Y32 CarbonylContact O-C 3.6Å; I28-Y32 WeakPolarHBondContact O-CA 3.35Å; I28-Y32 PolarHBondContact O-N 3.23Å; Y32-D34 PolarHBondContact O-N 3.36Å; Y32-D34 VanDerWaalsContact O-N 3.14Å; Y32-I35 HydrophobicContact CD1-CD1 3.97Å; Y32-I35 HydrophobicContact CG-CD1 4.31Å; Y32-I35 PolarHBondContact O-N 3.32Å; Y32-S36 WeakPolarHBondContact O-CB 3.25Å; Y32-S36 PolarHBondContact O-N 3.13Å; Y32-F75 HydrophobicContact CE2-CD2 4.26Å
33	P	68	Low	65	Low	55 Å²	55	56.8 Å²	56.8	36%	0.357	31%	0.307	S	S	.	.	H	α-helix	trans	-56.9	-35.4	-175.9	23.3	-34.5	0	0	0	112.6	D29 R37	D29-P33 WeakPolarHBondContact O-CA 3.47Å; P33-R37 WeakPolarHBondContact O-CB 3.34Å; P33-R37 WeakPolarHBondContact O-CD 3.39Å; P33-R37 WeakPolarHBondContact O-CG 3.36Å; P33-R37 PolarHBondContact O-N 2.99Å; P33-R37 VanDerWaalsContact O-N 3.1Å
34	D	60.7	Low	65.3	Low	115 Å²	115	53.9 Å²	53.9	62%	0.615	29%	0.286	S	S	*	.	H	α-helix	trans	-68.8	-35.7	179.9	-59.4	-35.3	0	0	0	112.4	Y32 L38	Y32-D34 PolarHBondContact O-N 3.36Å; Y32-D34 VanDerWaalsContact O-N 3.14Å; D34-L38 WeakPolarHBondContact O-CG 3.48Å
35	I	62.1	Low	65.5	Low	46 Å²	46	53.3 Å²	53.3	24%	0.236	29%	0.286	C	S	.	.	H	α-helix	trans	-83.8	-36	-178.6	-53	179.5	0	0	0	110.5	Y32 R37 L38 G39 V40 L41	Y32-I35 HydrophobicContact CD1-CD1 3.97Å; Y32-I35 HydrophobicContact CG-CD1 4.31Å; Y32-I35 PolarHBondContact O-N 3.32Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-L38 WeakPolarHBondContact O-CB 3.3Å; I35-L38 PolarHBondContact O-N 3.41Å; I35-G39 PolarHBondContact O-N 3.39Å; I35-V40 HydrophobicContact CG2-CB 3.64Å; I35-V40 HydrophobicContact CG2-CG1 3.81Å; I35-V40 HydrophobicContact CG2-CG2 4.31Å; I35-V40 PolarHBondContact O-N 3.16Å; I35-L41 HydrophobicContact CG2-CD1 3.88Å; I35-L41 HydrophobicContact CG2-CG 4.16Å
36	S	63.3	Low	65.6	Low	25 Å²	25	52.5 Å²	52.5	18%	0.175	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-44.8	173.4	170.6	0	0	0	0	111.3	D29 Y32 L38 G39	D29-S36 VanDerWaalsContact OD1-CB 3.26Å; D29-S36 WeakPolarHBondContact OD1-CB 3.35Å; D29-S36 PolarHBondContact OD1-OG 2.94Å; Y32-S36 WeakPolarHBondContact O-CB 3.25Å; Y32-S36 PolarHBondContact O-N 3.13Å; S36-L38 PolarHBondContact O-N 3.1Å; S36-G39 WeakPolarHBondContact O-CA 3.43Å; S36-G39 PolarHBondContact O-N 3.1Å
37	R	68	Low	65.4	Low	206 Å²	206	49.1 Å²	49.1	78%	0.777	27%	0.265	S	S	*	.	H	α-helix	trans	-59.6	-34	176.7	-76.6	170.5	-178.7	-175.8	2.1	113.3	P33 I35 G39	P33-R37 WeakPolarHBondContact O-CB 3.34Å; P33-R37 WeakPolarHBondContact O-CD 3.39Å; P33-R37 WeakPolarHBondContact O-CG 3.36Å; P33-R37 PolarHBondContact O-N 2.99Å; P33-R37 VanDerWaalsContact O-N 3.1Å; I35-R37 VanDerWaalsContact C-N 3.34Å; R37-G39 PolarHBondContact O-N 3.45Å
38	L	63.3	Low	65.4	Low	76 Å²	76	53 Å²	53	40%	0.398	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.4	174.8	-63.6	172.2	0	0	0	111.6	D34 I35 S36 V40 R60 P62	D34-L38 WeakPolarHBondContact O-CG 3.48Å; I35-L38 WeakPolarHBondContact O-CB 3.3Å; I35-L38 PolarHBondContact O-N 3.41Å; S36-L38 PolarHBondContact O-N 3.1Å; L38-V40 HydrophobicContact CB-CG2 3.62Å; L38-V40 HydrophobicContact CD1-CG2 4.4Å; L38-V40 PolarHBondContact O-N 2.86Å; L38-R60 WeakPolarHBondContact O-CB 3.49Å; L38-R60 WeakPolarHBondContact O-CD 3.35Å; L38-P62 HydrophobicContact CD1-CB 4.32Å; L38-P62 HydrophobicContact CD1-CG 3.81Å
39	G	64.4	Low	65.4	Low	16 Å²	16	59 Å²	59	17%	0.165	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	28.1	-176.2	0	0	0	0	0	112.3	I35 S36 R37 R60	I35-G39 PolarHBondContact O-N 3.39Å; S36-G39 WeakPolarHBondContact O-CA 3.43Å; S36-G39 PolarHBondContact O-N 3.1Å; R37-G39 PolarHBondContact O-N 3.45Å; G39-R60 PolarHBondContact O-NH1 3.2Å; G39-R60 VanDerWaalsContact O-NH1 3.14Å
40	V	63.8	Low	65	Low	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.319	C	S	.	.			trans	-73.1	-33.5	176.6	170.2	0	0	0	0	110.4	I35 L38 F56 S57 R60 L61	I35-V40 HydrophobicContact CG2-CB 3.64Å; I35-V40 HydrophobicContact CG2-CG1 3.81Å; I35-V40 HydrophobicContact CG2-CG2 4.31Å; I35-V40 PolarHBondContact O-N 3.16Å; L38-V40 HydrophobicContact CB-CG2 3.62Å; L38-V40 HydrophobicContact CD1-CG2 4.4Å; L38-V40 PolarHBondContact O-N 2.86Å; V40-F56 HydrophobicContact CG1-CD2 3.58Å; V40-F56 HydrophobicContact CG1-CE2 3.23Å; V40-F56 HydrophobicContact CG1-CZ 4.11Å; V40-F56 CarbonylContact O-C 3.55Å; V40-F56 VanDerWaalsContact O-CA 3.25Å; V40-F56 WeakPolarHBondContact O-CA 3.37Å; V40-F56 WeakPolarHBondContact O-CD2 3.41Å; V40-S57 PolarHBondContact O-N 3.47Å; V40-R60 HydrophobicContact CG2-CB 3.74Å; V40-R60 WeakPolarHBondContact CG2-O 3.46Å; V40-L61 HydrophobicContact CG1-CD2 3.55Å; V40-L61 HydrophobicContact CG1-CG 4.01Å; V40-L61 HydrophobicContact CG2-CD2 4.36Å; V40-L61 HydrophobicContact CG2-CG 4.49Å
41	L	64.8	Low	64.3	Low	5 Å²	5	59.4 Å²	59.4	3%	0.026	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.9	-179.5	-69	169.3	0	0	0	109.2	I28 I35 I54 V55 F56 F75	I28-L41 HydrophobicContact CD1-CB 4.21Å; I28-L41 HydrophobicContact CG2-CB 3.76Å; I28-L41 HydrophobicContact CG2-CD1 4.17Å; I35-L41 HydrophobicContact CG2-CD1 3.88Å; I35-L41 HydrophobicContact CG2-CG 4.16Å; L41-I54 HydrophobicContact CB-CG2 4.29Å; L41-I54 HydrophobicContact CD2-CG2 3.71Å; L41-V55 WeakPolarHBondContact CA-O 3.18Å; L41-F56 HydrophobicContact CD2-CB 4.49Å; L41-F56 HydrophobicContact CD2-CD2 3.54Å; L41-F56 HydrophobicContact CD2-CE2 4.25Å; L41-F56 HydrophobicContact CD2-CG 4.49Å; L41-F56 HydrophobicContact CG-CD2 4.23Å; L41-F75 HydrophobicContact CD1-CE2 4.09Å; L41-F75 HydrophobicContact CD1-CZ 3.87Å; L41-F75 HydrophobicContact CD2-CE1 4.2Å; L41-F75 HydrophobicContact CD2-CE2 4.45Å; L41-F75 HydrophobicContact CD2-CZ 3.56Å; L41-F75 HydrophobicContact CG-CZ 4.4Å
42	Q	65.8	Low	64.1	Low	58 Å²	58	59.8 Å²	59.8	27%	0.271	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.2	178.3	-171.1	175.7	32.6	0	0	110.3	A44 I54 V55 P129	Q42-A44 PolarHBondContact O-N 3.1Å; Q42-I54 CarbonylContact O-C 3.47Å; Q42-I54 WeakPolarHBondContact O-CA 3.3Å; Q42-V55 HydrophobicContact CB-CB 4.33Å; Q42-V55 PolarHBondContact N-O 3.28Å; Q42-V55 PolarHBondContact O-N 2.81Å; Q42-P129 HydrophobicContact CG-CG 4.22Å; Q42-P129 PolarHBondContact NE2-O 3.32Å; Q42-P129 VanDerWaalsContact NE2-O 3.17Å
43	G	64.8	Low	63.9	Low	10 Å²	10	57.8 Å²	57.8	10%	0.103	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	123.5	170.5	0	0	0	0	0	111	P129	G43-P129 WeakPolarHBondContact O-CD 3.27Å
44	A	63.3	Low	63.7	Low	1 Å²	1	56.7 Å²	56.7	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-4.8	-177.3	0	0	0	0	0	114.4	Q42 I53 V55 L123 L128	Q42-A44 PolarHBondContact O-N 3.1Å; A44-I53 WeakPolarHBondContact CA-O 3Å; A44-I53 HydrophobicContact CB-CB 3.83Å; A44-I53 HydrophobicContact CB-CG2 3.64Å; A44-I53 VanDerWaalsContact CB-O 3.25Å; A44-I53 WeakPolarHBondContact CB-O 3.35Å; A44-I53 PolarHBondContact N-O 3.44Å; A44-V55 HydrophobicContact CB-CG2 3.39Å; A44-L123 HydrophobicContact CB-CD1 4.1Å; A44-L128 VanDerWaalsContact CA-CD2 3.48Å; A44-L128 HydrophobicContact CB-CD2 3.74Å; A44-L128 HydrophobicContact CB-CG 4.4Å
45	G	66.8	Low	64	Low	15 Å²	15	51.7 Å²	51.7	16%	0.155	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.8	-152.5	-168	0	0	0	0	0	112.5	K52 I53	G45-K52 CarbonylContact O-C 3.55Å; G45-K52 WeakPolarHBondContact O-CA 3.46Å; G45-I53 PolarHBondContact O-N 3.39Å
46	D	66.9	Low	64.2	Low	24 Å²	24	51.3 Å²	51.3	13%	0.128	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	150.8	179.7	-67.3	-61.2	0	0	0	112.4	R51 K52	D46-R51 CarbonylContact C-O 3.54Å; D46-R51 VanDerWaalsContact CA-O 3.32Å; D46-R51 WeakPolarHBondContact CA-O 3.05Å; D46-K52 VanDerWaalsContact OD1-CA 3.25Å; D46-K52 WeakPolarHBondContact OD1-CA 3.4Å; D46-K52 WeakPolarHBondContact OD1-CD 3.24Å; D46-K52 WeakPolarHBondContact OD1-CE 3.41Å; D46-K52 WeakPolarHBondContact OD1-CG 3.46Å; D46-K52 PolarHBondContact OD1-N 2.66Å; D46-K52 VanDerWaalsContact OD1-N 3.07Å; D46-K52 IonicContact OD1-NZ 2.72Å; D46-K52 PolarHBondContact OD1-NZ 2.77Å; D46-K52 WeakPolarHBondContact OD2-CE 3.26Å; D46-K52 IonicContact OD2-NZ 2.86Å; D46-K52 PolarHBondContact OD2-NZ 2.74Å
47	D	63.1	Low	64.1	Low	8 Å²	8	51.5 Å²	51.5	4%	0.043	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-75.1	175.8	163.3	60.9	21.8	0	0	0	112.7	L49 G50 R51 I53	D47-L49 PolarHBondContact O-N 3.13Å; D47-L49 VanDerWaalsContact OD1-C 3.23Å; D47-L49 VanDerWaalsContact OD1-CA 3.26Å; D47-L49 WeakPolarHBondContact OD1-CA 3.47Å; D47-L49 WeakPolarHBondContact OD1-CB 2.96Å; D47-L49 PolarHBondContact OD1-N 3.13Å; D47-G50 PolarHBondContact O-N 3.27Å; D47-G50 PolarHBondContact OD1-N 3.15Å; D47-G50 VanDerWaalsContact OD1-N 3.11Å; D47-R51 PolarHBondContact N-O 3.23Å; D47-R51 WeakPolarHBondContact OD1-CB 3.43Å; D47-R51 PolarHBondContact OD1-N 2.99Å; D47-R51 IonicContact OD1-NE 3.66Å; D47-R51 IonicContact OD2-CZ 3.08Å; D47-R51 IonicContact OD2-NE 2.67Å; D47-R51 PolarHBondContact OD2-NE 2.72Å; D47-R51 IonicContact OD2-NH2 2.67Å; D47-R51 PolarHBondContact OD2-NH2 3.3Å; D47-I53 HydrophobicContact CB-CD1 3.48Å; D47-I53 VanDerWaalsContact CB-CD1 3.48Å; D47-I53 HydrophobicContact CB-CG1 4.41Å
48	K	64.1	Low	63.4	Low	145 Å²	145	42.4 Å²	42.4	63%	0.63	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-15	171.6	-66.3	176.8	175.6	166.8	0	114.9	G121 F124	K48-G121 WeakPolarHBondContact CE-O 3.05Å; K48-G121 PolarHBondContact NZ-O 3.14Å; K48-F124 HydrophobicContact CG-CE2 4.38Å; K48-F124 HydrophobicContact CG-CZ 4.43Å
49	L	64.8	Low	62.6	Low	132 Å²	132	43.8 Å²	43.8	69%	0.691	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	10.5	178.4	-59.8	176	0	0	0	112.1	D47 R51	D47-L49 PolarHBondContact O-N 3.13Å; D47-L49 VanDerWaalsContact OD1-C 3.23Å; D47-L49 VanDerWaalsContact OD1-CA 3.26Å; D47-L49 WeakPolarHBondContact OD1-CA 3.47Å; D47-L49 WeakPolarHBondContact OD1-CB 2.96Å; D47-L49 PolarHBondContact OD1-N 3.13Å; L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 HydrophobicContact CB-CG 4.35Å; L49-R51 PolarHBondContact O-N 3.3Å
50	G	62.1	Low	62.1	Low	56 Å²	56	49.6 Å²	49.6	58%	0.577	26%	0.261	S	S	*	.	S	Bend	trans	72.5	19.5	179.6	0	0	0	0	0	113.9	D47	D47-G50 PolarHBondContact O-N 3.27Å; D47-G50 PolarHBondContact OD1-N 3.15Å; D47-G50 VanDerWaalsContact OD1-N 3.11Å
51	R	57	Low	61.6	Low	105 Å²	105	52.2 Å²	52.2	40%	0.396	28%	0.275	S	S	.	.			trans	-93	126.1	179	-55.6	178.8	-64.9	-172.7	2.3	109.1	D46 D47 L49 I53	D46-R51 CarbonylContact C-O 3.54Å; D46-R51 VanDerWaalsContact CA-O 3.32Å; D46-R51 WeakPolarHBondContact CA-O 3.05Å; D47-R51 PolarHBondContact N-O 3.23Å; D47-R51 WeakPolarHBondContact OD1-CB 3.43Å; D47-R51 PolarHBondContact OD1-N 2.99Å; D47-R51 IonicContact OD1-NE 3.66Å; D47-R51 IonicContact OD2-CZ 3.08Å; D47-R51 IonicContact OD2-NE 2.67Å; D47-R51 PolarHBondContact OD2-NE 2.72Å; D47-R51 IonicContact OD2-NH2 2.67Å; D47-R51 PolarHBondContact OD2-NH2 3.3Å; L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 HydrophobicContact CB-CG 4.35Å; L49-R51 PolarHBondContact O-N 3.3Å; R51-I53 WeakPolarHBondContact O-CG1 3.25Å
52	K	62.6	Low	60.8	Low	108 Å²	108	54.2 Å²	54.2	47%	0.47	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	134.6	174.6	-61.4	-69.1	158.5	-167.9	0	111.6	V24 G45 D46	V24-K52 HydrophobicContact CG2-CB 3.58Å; V24-K52 HydrophobicContact CG2-CD 3.48Å; V24-K52 VanDerWaalsContact CG2-CD 3.48Å; V24-K52 HydrophobicContact CG2-CG 3.55Å; G45-K52 CarbonylContact O-C 3.55Å; G45-K52 WeakPolarHBondContact O-CA 3.46Å; D46-K52 VanDerWaalsContact OD1-CA 3.25Å; D46-K52 WeakPolarHBondContact OD1-CA 3.4Å; D46-K52 WeakPolarHBondContact OD1-CD 3.24Å; D46-K52 WeakPolarHBondContact OD1-CE 3.41Å; D46-K52 WeakPolarHBondContact OD1-CG 3.46Å; D46-K52 PolarHBondContact OD1-N 2.66Å; D46-K52 VanDerWaalsContact OD1-N 3.07Å; D46-K52 IonicContact OD1-NZ 2.72Å; D46-K52 PolarHBondContact OD1-NZ 2.77Å; D46-K52 WeakPolarHBondContact OD2-CE 3.26Å; D46-K52 IonicContact OD2-NZ 2.86Å; D46-K52 PolarHBondContact OD2-NZ 2.74Å
53	I	62.5	Low	60.2	Low	8 Å²	8	55 Å²	55	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.4	-177	-56.8	-154.1	0	0	0	109	A44 G45 D47 R51 L123	A44-I53 WeakPolarHBondContact CA-O 3Å; A44-I53 HydrophobicContact CB-CB 3.83Å; A44-I53 HydrophobicContact CB-CG2 3.64Å; A44-I53 VanDerWaalsContact CB-O 3.25Å; A44-I53 WeakPolarHBondContact CB-O 3.35Å; A44-I53 PolarHBondContact N-O 3.44Å; G45-I53 PolarHBondContact O-N 3.39Å; D47-I53 HydrophobicContact CB-CD1 3.48Å; D47-I53 VanDerWaalsContact CB-CD1 3.48Å; D47-I53 HydrophobicContact CB-CG1 4.41Å; R51-I53 WeakPolarHBondContact O-CG1 3.25Å; I53-L123 HydrophobicContact CB-CD2 3.99Å; I53-L123 HydrophobicContact CD1-CD2 2.96Å; I53-L123 HydrophobicContact CD1-CG 4.44Å; I53-L123 HydrophobicContact CG1-CD2 3.87Å; I53-L123 HydrophobicContact CG2-CD1 3.87Å; I53-L123 HydrophobicContact CG2-CD2 3.69Å
54	I	64.2	Low	59.7	Low	32 Å²	32	57.1 Å²	57.1	16%	0.164	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.7	-180	-58.1	170	0	0	0	106.7	V24 I28 L41 Q42	V24-I54 HydrophobicContact CG1-CD1 3.78Å; V24-I54 HydrophobicContact CG1-CG1 3.56Å; I28-I54 HydrophobicContact CD1-CD1 4.16Å; I28-I54 HydrophobicContact CD1-CG1 4.23Å; I28-I54 HydrophobicContact CD1-CG2 3.93Å; L41-I54 HydrophobicContact CB-CG2 4.29Å; L41-I54 HydrophobicContact CD2-CG2 3.71Å; Q42-I54 CarbonylContact O-C 3.47Å; Q42-I54 WeakPolarHBondContact O-CA 3.3Å
55	V	66.7	Low	59.2	Low	9 Å²	9	64.5 Å²	64.5	6%	0.055	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	130.3	170.4	-172.2	0	0	0	0	108.2	L41 Q42 A44 V85 L128	L41-V55 WeakPolarHBondContact CA-O 3.18Å; Q42-V55 HydrophobicContact CB-CB 4.33Å; Q42-V55 PolarHBondContact N-O 3.28Å; Q42-V55 PolarHBondContact O-N 2.81Å; A44-V55 HydrophobicContact CB-CG2 3.39Å; V55-V85 HydrophobicContact CG1-CG2 4.11Å; V55-L128 HydrophobicContact CG2-CD2 3.68Å
56	F	67	Low	58.5	Low	39 Å²	39	71 Å²	71	17%	0.171	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.3	175.6	-177.4	-111.6	0	0	0	110.6	V40 L41 A58 L61 L82 C83	V40-F56 HydrophobicContact CG1-CD2 3.58Å; V40-F56 HydrophobicContact CG1-CE2 3.23Å; V40-F56 HydrophobicContact CG1-CZ 4.11Å; V40-F56 CarbonylContact O-C 3.55Å; V40-F56 VanDerWaalsContact O-CA 3.25Å; V40-F56 WeakPolarHBondContact O-CA 3.37Å; V40-F56 WeakPolarHBondContact O-CD2 3.41Å; L41-F56 HydrophobicContact CD2-CB 4.49Å; L41-F56 HydrophobicContact CD2-CD2 3.54Å; L41-F56 HydrophobicContact CD2-CE2 4.25Å; L41-F56 HydrophobicContact CD2-CG 4.49Å; L41-F56 HydrophobicContact CG-CD2 4.23Å; F56-A58 HydrophobicContact CD1-CB 4.39Å; F56-A58 HydrophobicContact CE1-CB 4.26Å; F56-A58 PolarHBondContact O-N 2.98Å; F56-L61 HydrophobicContact CE1-CD1 3.59Å; F56-L61 HydrophobicContact CE1-CD2 4.48Å; F56-L61 HydrophobicContact CE1-CG 4.3Å; F56-L61 HydrophobicContact CE2-CD1 4.41Å; F56-L61 HydrophobicContact CE2-CD2 3.82Å; F56-L61 HydrophobicContact CE2-CG 4.32Å; F56-L61 HydrophobicContact CZ-CD1 3.41Å; F56-L61 VanDerWaalsContact CZ-CD1 3.41Å; F56-L61 HydrophobicContact CZ-CD2 3.49Å; F56-L61 VanDerWaalsContact CZ-CD2 3.49Å; F56-L61 HydrophobicContact CZ-CG 3.75Å; F56-L82 HydrophobicContact CB-CD1 3.35Å; F56-L82 HydrophobicContact CB-CG 4.32Å; F56-L82 HydrophobicContact CD1-CD1 4.01Å; F56-L82 HydrophobicContact CD1-CD2 4.48Å; F56-L82 HydrophobicContact CG-CD1 3.79Å; F56-C83 PolarHBondContact N-O 2.68Å
57	S	60.8	Low	58	Low	28 Å²	28	72 Å²	72	20%	0.196	40%	0.395	C	S	.	.			trans	-87.9	89.5	177.2	-67	0	0	0	0	110.1	V40 C59 R60	V40-S57 PolarHBondContact O-N 3.47Å; S57-C59 PolarHBondContact O-N 3.05Å; S57-C59 VanDerWaalsContact O-N 3.14Å; S57-R60 PolarHBondContact O-N 3.21Å; S57-R60 VanDerWaalsContact O-N 3.1Å
58	A	52.8	Low	57.7	Low	15 Å²	15	75.9 Å²	75.9	12%	0.124	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-61	-22.4	179.6	0	0	0	0	0	113.7	F56 R60 L61 I91	F56-A58 HydrophobicContact CD1-CB 4.39Å; F56-A58 HydrophobicContact CE1-CB 4.26Å; F56-A58 PolarHBondContact O-N 2.98Å; A58-R60 PolarHBondContact O-N 3.05Å; A58-L61 HydrophobicContact CB-CD1 3.97Å; A58-L61 WeakPolarHBondContact O-CB 3.38Å; A58-L61 PolarHBondContact O-N 3.18Å; A58-I91 HydrophobicContact CB-CD1 4.2Å; A58-I91 HydrophobicContact CB-CG1 4.17Å; A58-I91 HydrophobicContact CB-CG2 4.44Å
59	C	47.1	Very low	57.4	Low	106 Å²	106	75.6 Å²	75.6	72%	0.716	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-67.4	-10.8	176.2	56.8	0	0	0	0	114.3	S57	S57-C59 PolarHBondContact O-N 3.05Å; S57-C59 VanDerWaalsContact O-N 3.14Å
60	R	53.6	Low	56.9	Low	137 Å²	137	75.9 Å²	75.9	52%	0.517	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-111.9	5.6	178.7	-52.2	-168.6	-175.9	159.3	-15.7	113	L38 G39 V40 S57 A58	L38-R60 WeakPolarHBondContact O-CB 3.49Å; L38-R60 WeakPolarHBondContact O-CD 3.35Å; G39-R60 PolarHBondContact O-NH1 3.2Å; G39-R60 VanDerWaalsContact O-NH1 3.14Å; V40-R60 HydrophobicContact CG2-CB 3.74Å; V40-R60 WeakPolarHBondContact CG2-O 3.46Å; S57-R60 PolarHBondContact O-N 3.21Å; S57-R60 VanDerWaalsContact O-N 3.1Å; A58-R60 PolarHBondContact O-N 3.05Å
61	L	53	Low	56.5	Low	56 Å²	56	78.3 Å²	78.3	29%	0.293	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-67	131.9	179.3	-80.9	164.6	0	0	0	110.6	V40 F56 A58	V40-L61 HydrophobicContact CG1-CD2 3.55Å; V40-L61 HydrophobicContact CG1-CG 4.01Å; V40-L61 HydrophobicContact CG2-CD2 4.36Å; V40-L61 HydrophobicContact CG2-CG 4.49Å; F56-L61 HydrophobicContact CE1-CD1 3.59Å; F56-L61 HydrophobicContact CE1-CD2 4.48Å; F56-L61 HydrophobicContact CE1-CG 4.3Å; F56-L61 HydrophobicContact CE2-CD1 4.41Å; F56-L61 HydrophobicContact CE2-CD2 3.82Å; F56-L61 HydrophobicContact CE2-CG 4.32Å; F56-L61 HydrophobicContact CZ-CD1 3.41Å; F56-L61 VanDerWaalsContact CZ-CD1 3.41Å; F56-L61 HydrophobicContact CZ-CD2 3.49Å; F56-L61 VanDerWaalsContact CZ-CD2 3.49Å; F56-L61 HydrophobicContact CZ-CG 3.75Å; A58-L61 HydrophobicContact CB-CD1 3.97Å; A58-L61 WeakPolarHBondContact O-CB 3.38Å; A58-L61 PolarHBondContact O-N 3.18Å
62	P	49	Very low	56.5	Low	47 Å²	47	77 Å²	77	31%	0.305	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66.3	154.6	166.5	29.9	-27.5	0	0	0	109	L38	L38-P62 HydrophobicContact CD1-CB 4.32Å; L38-P62 HydrophobicContact CD1-CG 3.81Å
63	A	52.6	Low	56.2	Low	75 Å²	75	76.2 Å²	76.2	62%	0.62	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-52.4	142.9	178.2	0	0	0	0	0	110.8	D65 L66	A63-D65 PolarHBondContact O-N 3.31Å; A63-L66 PolarHBondContact O-N 2.81Å
64	A	53.6	Low	55.9	Low	53 Å²	53	80.3 Å²	80.3	44%	0.438	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-54.8	-18.8	-170.2	0	0	0	0	0	114.9	L66 F98	A64-L66 PolarHBondContact O-N 2.74Å; A64-F98 HydrophobicContact CB-CE1 4.13Å; A64-F98 HydrophobicContact CB-CZ 3.88Å
65	D	53.5	Low	55.5	Low	157 Å²	157	80.7 Å²	80.7	84%	0.84	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-73.1	-3.9	-175.7	-54.3	-23.4	0	0	0	113.3	A63	A63-D65 PolarHBondContact O-N 3.31Å
66	L	52.4	Low	54.9	Low	151 Å²	151	82.3 Å²	82.3	79%	0.791	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-105.7	-2.9	-179.2	-126.8	86.4	0	0	0	115.3	A63 A64	A63-L66 PolarHBondContact O-N 2.81Å; A64-L66 PolarHBondContact O-N 2.74Å
67	I	54.9	Low	54.4	Low	44 Å²	44	88.1 Å²	88.1	23%	0.226	46%	0.464	C	S	.	.	S	Bend	trans	-110.9	116.9	-170.3	-43.4	178.7	0	0	0	111.6	H69 L72	I67-H69 PolarHBondContact O-N 3.14Å; I67-L72 HydrophobicContact CB-CD1 3.84Å; I67-L72 HydrophobicContact CB-CG 4.29Å; I67-L72 HydrophobicContact CG2-CD1 3.55Å; I67-L72 HydrophobicContact CG2-CD2 3.92Å; I67-L72 HydrophobicContact CG2-CG 3.43Å; I67-L72 VanDerWaalsContact CG2-CG 3.43Å
68	D	58.3	Low	54.1	Low	91 Å²	91	92.6 Å²	92.6	49%	0.487	49%	0.486	S	S	.	.			trans	-57.9	124.9	175.1	-169.6	-19.2	0	0	0	111	Q70 H71 L72	D68-Q70 PolarHBondContact O-N 2.97Å; D68-Q70 VanDerWaalsContact O-N 3.13Å; D68-Q70 PolarHBondContact OD1-N 3.05Å; D68-H71 PolarHBondContact O-N 2.84Å; D68-L72 PolarHBondContact O-N 3.45Å
69	H	57	Low	54.2	Low	139 Å²	139	92.7 Å²	92.7	64%	0.644	48%	0.484	S	S	*	.	H	α-helix	trans	-53.9	-32	179.6	-63.3	-55.1	0	0	0	112.7	I67 L73	I67-H69 PolarHBondContact O-N 3.14Å; H69-L73 WeakPolarHBondContact O-CD1 3.47Å; H69-L73 WeakPolarHBondContact O-CG 3.48Å; H69-L73 PolarHBondContact O-N 3.4Å
70	Q	54.6	Low	54.7	Low	138 Å²	138	94.4 Å²	94.4	65%	0.645	48%	0.479	S	S	*	.	H	α-helix	trans	-70.2	-42.9	-179.5	-66.9	-164.1	-65.3	0	0	112.6	D68 L73 I74	D68-Q70 PolarHBondContact O-N 2.97Å; D68-Q70 VanDerWaalsContact O-N 3.13Å; D68-Q70 PolarHBondContact OD1-N 3.05Å; Q70-L73 PolarHBondContact O-N 2.97Å; Q70-I74 WeakPolarHBondContact O-CG1 3.2Å; Q70-I74 PolarHBondContact O-N 3.35Å; Q70-I74 VanDerWaalsContact O-N 3.16Å
71	H	53.4	Low	54.8	Low	106 Å²	106	89.9 Å²	89.9	49%	0.491	47%	0.467	S	S	.	.	H	α-helix	trans	-67.7	-39.3	-179.4	-81.1	-129.4	0	0	0	111.2	D68 L73 I74 F75	D68-H71 PolarHBondContact O-N 2.84Å; H71-L73 VanDerWaalsContact C-N 3.32Å; H71-L73 PolarHBondContact O-N 3.18Å; H71-I74 PolarHBondContact O-N 2.79Å; H71-F75 WeakPolarHBondContact O-CB 3.37Å; H71-F75 PolarHBondContact O-N 3.16Å
72	L	56.2	Low	55.3	Low	79 Å²	79	88 Å²	88	41%	0.414	46%	0.457	S	S	.	.	H	α-helix	trans	-61.5	-39.5	173.2	-80	170.3	0	0	0	112.7	I67 D68 R76	I67-L72 HydrophobicContact CB-CD1 3.84Å; I67-L72 HydrophobicContact CB-CG 4.29Å; I67-L72 HydrophobicContact CG2-CD1 3.55Å; I67-L72 HydrophobicContact CG2-CD2 3.92Å; I67-L72 HydrophobicContact CG2-CG 3.43Å; I67-L72 VanDerWaalsContact CG2-CG 3.43Å; D68-L72 PolarHBondContact O-N 3.45Å; L72-R76 WeakPolarHBondContact O-CB 3.18Å; L72-R76 PolarHBondContact O-N 3.48Å
73	L	56.6	Low	55.9	Low	90 Å²	90	86.1 Å²	86.1	47%	0.471	44%	0.444	S	S	.	.	H	α-helix	trans	-67.6	-38.9	-179.8	-75.9	170.5	0	0	0	112.4	H69 Q70 H71 K77	H69-L73 WeakPolarHBondContact O-CD1 3.47Å; H69-L73 WeakPolarHBondContact O-CG 3.48Å; H69-L73 PolarHBondContact O-N 3.4Å; Q70-L73 PolarHBondContact O-N 2.97Å; H71-L73 VanDerWaalsContact C-N 3.32Å; H71-L73 PolarHBondContact O-N 3.18Å; L73-K77 VanDerWaalsContact O-CG 3.27Å; L73-K77 WeakPolarHBondContact O-CG 3.5Å; L73-K77 PolarHBondContact O-N 2.73Å; L73-K77 VanDerWaalsContact O-N 3.13Å
74	I	56.1	Low	56.5	Low	94 Å²	94	82.8 Å²	82.8	48%	0.482	42%	0.416	S	S	.	.	H	α-helix	trans	-67	-49	176.5	-65.5	167.4	0	0	0	110	Q70 H71 R76 K77 N78	Q70-I74 WeakPolarHBondContact O-CG1 3.2Å; Q70-I74 PolarHBondContact O-N 3.35Å; Q70-I74 VanDerWaalsContact O-N 3.16Å; H71-I74 PolarHBondContact O-N 2.79Å; I74-R76 VanDerWaalsContact C-N 3.34Å; I74-R76 PolarHBondContact O-N 3.26Å; I74-K77 PolarHBondContact O-N 3.18Å; I74-K77 VanDerWaalsContact O-N 3.15Å; I74-N78 PolarHBondContact O-N 3.04Å
75	F	55.7	Low	56.7	Low	40 Å²	40	82.3 Å²	82.3	18%	0.175	41%	0.408	C	S	.	.	H	α-helix	trans	-56.6	-50.1	178.4	-175	-110.3	0	0	0	111.2	Y32 L41 H71 K77 N78 L79	Y32-F75 HydrophobicContact CE2-CD2 4.26Å; L41-F75 HydrophobicContact CD1-CE2 4.09Å; L41-F75 HydrophobicContact CD1-CZ 3.87Å; L41-F75 HydrophobicContact CD2-CE1 4.2Å; L41-F75 HydrophobicContact CD2-CE2 4.45Å; L41-F75 HydrophobicContact CD2-CZ 3.56Å; L41-F75 HydrophobicContact CG-CZ 4.4Å; H71-F75 WeakPolarHBondContact O-CB 3.37Å; H71-F75 PolarHBondContact O-N 3.16Å; F75-K77 VanDerWaalsContact C-N 3.31Å; F75-K77 PolarHBondContact O-N 3.43Å; F75-N78 PolarHBondContact O-N 3.39Å; F75-N78 VanDerWaalsContact O-N 3.13Å; F75-L79 HydrophobicContact CD1-CD1 3.78Å; F75-L79 HydrophobicContact CD1-CD2 4.49Å; F75-L79 HydrophobicContact CD1-CG 4.03Å; F75-L79 HydrophobicContact CE1-CD1 3.49Å; F75-L79 VanDerWaalsContact CE1-CD1 3.49Å; F75-L79 HydrophobicContact CE1-CD2 3.83Å; F75-L79 HydrophobicContact CE1-CG 3.8Å; F75-L79 HydrophobicContact CE2-CD2 4.13Å; F75-L79 HydrophobicContact CZ-CD1 4.17Å; F75-L79 HydrophobicContact CZ-CD2 3.59Å; F75-L79 HydrophobicContact CZ-CG 4.04Å; F75-L79 WeakPolarHBondContact O-CG 3.43Å; F75-L79 PolarHBondContact O-N 3.39Å
76	R	53.8	Low	57	Low	43 Å²	43	80.5 Å²	80.5	16%	0.162	39%	0.394	C	S	.	.	H	α-helix	trans	-56.1	-39.4	176.9	169.4	176.5	-173.1	156	38.6	114.4	L72 I74 N78 F101 S103 M106	L72-R76 WeakPolarHBondContact O-CB 3.18Å; L72-R76 PolarHBondContact O-N 3.48Å; I74-R76 VanDerWaalsContact C-N 3.34Å; I74-R76 PolarHBondContact O-N 3.26Å; R76-N78 VanDerWaalsContact C-N 3.28Å; R76-F101 PolarHBondContact NH1-O 3.25Å; R76-S103 VanDerWaalsContact CZ-CB 3.46Å; R76-S103 PolarHBondContact NH2-O 2.79Å; R76-M106 HydrophobicContact CB-SD 4.18Å; R76-M106 HydrophobicContact CG-SD 3.59Å; R76-M106 VanDerWaalsContact CG-SD 3.59Å
77	K	57.3	Low	57.3	Low	161 Å²	161	74 Å²	74	70%	0.7	36%	0.361	S	S	*	.	H	α-helix	trans	-66.5	-35.5	-179.2	-79.8	173.6	-178.1	-180	0	111.1	L73 I74 F75	L73-K77 VanDerWaalsContact O-CG 3.27Å; L73-K77 WeakPolarHBondContact O-CG 3.5Å; L73-K77 PolarHBondContact O-N 2.73Å; L73-K77 VanDerWaalsContact O-N 3.13Å; I74-K77 PolarHBondContact O-N 3.18Å; I74-K77 VanDerWaalsContact O-N 3.15Å; F75-K77 VanDerWaalsContact C-N 3.31Å; F75-K77 PolarHBondContact O-N 3.43Å
78	N	54.2	Low	57.7	Low	123 Å²	123	75.9 Å²	75.9	66%	0.658	38%	0.375	S	S	*	.	H	α-helix	trans	-88.5	-20.6	-176.4	-65	-23.1	0	0	0	113.7	I74 F75 R76 K80	I74-N78 PolarHBondContact O-N 3.04Å; F75-N78 PolarHBondContact O-N 3.39Å; F75-N78 VanDerWaalsContact O-N 3.13Å; R76-N78 VanDerWaalsContact C-N 3.28Å; N78-K80 PolarHBondContact O-N 3.42Å
79	L	54.8	Low	57.7	Low	16 Å²	16	77.4 Å²	77.4	8%	0.084	39%	0.387	C	S	.	.			trans	-60.3	121.4	175	-78.4	-178.1	0	0	0	111.3	F75 L82 K109	F75-L79 HydrophobicContact CD1-CD1 3.78Å; F75-L79 HydrophobicContact CD1-CD2 4.49Å; F75-L79 HydrophobicContact CD1-CG 4.03Å; F75-L79 HydrophobicContact CE1-CD1 3.49Å; F75-L79 VanDerWaalsContact CE1-CD1 3.49Å; F75-L79 HydrophobicContact CE1-CD2 3.83Å; F75-L79 HydrophobicContact CE1-CG 3.8Å; F75-L79 HydrophobicContact CE2-CD2 4.13Å; F75-L79 HydrophobicContact CZ-CD1 4.17Å; F75-L79 HydrophobicContact CZ-CD2 3.59Å; F75-L79 HydrophobicContact CZ-CG 4.04Å; F75-L79 WeakPolarHBondContact O-CG 3.43Å; F75-L79 PolarHBondContact O-N 3.39Å; L79-L82 HydrophobicContact CD1-CD1 4.33Å; L79-K109 WeakPolarHBondContact O-CD 3.33Å; L79-K109 WeakPolarHBondContact O-CE 3.32Å; L79-K109 PolarHBondContact O-NZ 3.5Å
80	K	58.3	Low	57.9	Low	143 Å²	143	73 Å²	73	62%	0.622	38%	0.379	S	S	*	.	S	Bend	trans	-85.7	-46.1	175.1	-69.6	-178.7	-179.8	173.5	0	111.9	N78 K109	N78-K80 PolarHBondContact O-N 3.42Å; K80-K109 WeakPolarHBondContact O-CD 3.44Å; K80-K109 VanDerWaalsContact O-CG 3.26Å; K80-K109 WeakPolarHBondContact O-CG 3.36Å
81	T	55.5	Low	58.2	Low	42 Å²	42	67.1 Å²	67.1	26%	0.258	35%	0.352	S	S	.	.			trans	-144.5	139.1	178.2	-53.2	0	0	0	0	108.5	K109 V111	T81-K109 CarbonylContact C-O 3.56Å; T81-K109 WeakPolarHBondContact CA-O 2.78Å; T81-V111 HydrophobicContact CG2-CG2 3.78Å
82	L	64.5	Low	58.7	Low	17 Å²	17	66.4 Å²	66.4	9%	0.089	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	110.4	176.1	-177.5	73.9	0	0	0	108	F56 L79 I84 K109 V110 V111	F56-L82 HydrophobicContact CB-CD1 3.35Å; F56-L82 HydrophobicContact CB-CG 4.32Å; F56-L82 HydrophobicContact CD1-CD1 4.01Å; F56-L82 HydrophobicContact CD1-CD2 4.48Å; F56-L82 HydrophobicContact CG-CD1 3.79Å; L79-L82 HydrophobicContact CD1-CD1 4.33Å; L82-I84 HydrophobicContact CD2-CD1 4.44Å; L82-I84 HydrophobicContact CD2-CG1 4.48Å; L82-K109 PolarHBondContact N-O 2.89Å; L82-V110 HydrophobicContact CB-CG2 4.46Å; L82-V110 HydrophobicContact CD2-CG2 3.95Å; L82-V110 CarbonylContact O-C 3.36Å; L82-V110 VanDerWaalsContact O-CA 3.3Å; L82-V110 WeakPolarHBondContact O-CA 3.47Å; L82-V111 PolarHBondContact O-N 3.21Å
83	C	60.9	Low	59.4	Low	6 Å²	6	69 Å²	69	4%	0.041	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.7	175.3	-168.7	0	0	0	0	110.8	F56 V111 L119	F56-C83 PolarHBondContact N-O 2.68Å; C83-V111 CarbonylContact C-O 3.52Å; C83-V111 WeakPolarHBondContact CA-O 3.37Å; C83-L119 HydrophobicContact CB-CD1 4.4Å; C83-L119 WeakPolarHBondContact SG-CD1 3.34Å
84	I	65.1	Low	59.6	Low	5 Å²	5	67.4 Å²	67.4	3%	0.026	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	107.7	175.5	-62.8	-179.9	0	0	0	107.6	L82 P87 I91 V110 V111 Y112 A113	L82-I84 HydrophobicContact CD2-CD1 4.44Å; L82-I84 HydrophobicContact CD2-CG1 4.48Å; I84-P87 HydrophobicContact CG2-CB 4.35Å; I84-I91 HydrophobicContact CD1-CG2 4.33Å; I84-I91 HydrophobicContact CG2-CG2 3.76Å; I84-V110 HydrophobicContact CD1-CG1 3.47Å; I84-V110 VanDerWaalsContact CD1-CG1 3.47Å; I84-V110 HydrophobicContact CG1-CG1 4Å; I84-V111 PolarHBondContact N-O 3.32Å; I84-Y112 HydrophobicContact CB-CD1 3.91Å; I84-Y112 HydrophobicContact CB-CE1 4.36Å; I84-Y112 HydrophobicContact CD1-CD1 4.05Å; I84-Y112 HydrophobicContact CD1-CE1 3.61Å; I84-Y112 HydrophobicContact CG1-CD1 4.49Å; I84-Y112 HydrophobicContact CG2-CD1 4.04Å; I84-Y112 HydrophobicContact CG2-CE1 4.41Å; I84-A113 PolarHBondContact O-N 3.38Å
85	V	58.3	Low	59.9	Low	43 Å²	43	64.1 Å²	64.1	26%	0.261	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132	177.4	-175	0	0	0	0	109.1	V55 L119	V55-V85 HydrophobicContact CG1-CG2 4.11Å; V85-L119 HydrophobicContact CG2-CD2 4.22Å
86	H	58.2	Low	60.5	Low	120 Å²	120	66.5 Å²	66.5	56%	0.556	35%	0.35	S	S	*	.	S	Bend	trans	56.1	70.7	-174	-64.9	-64.7	0	0	0	113.5	T88 A113	H86-T88 VanDerWaalsContact C-N 3.3Å; H86-T88 PolarHBondContact O-N 2.97Å; H86-A113 PolarHBondContact N-O 2.98Å
87	P	59.6	Low	61.1	Low	15 Å²	15	69.2 Å²	69.2	10%	0.097	37%	0.368	C	S	.	.			trans	-66.4	90.8	172.2	31.9	-37.4	0	0	0	110.1	I84 K92 Y112 A113 E114	I84-P87 HydrophobicContact CG2-CB 4.35Å; P87-K92 HydrophobicContact CB-CG 4.09Å; P87-Y112 HydrophobicContact CB-CD1 3.79Å; P87-Y112 HydrophobicContact CB-CE1 4.49Å; P87-Y112 HydrophobicContact CG-CD1 4.38Å; P87-A113 WeakPolarHBondContact CD-O 3.44Å; P87-E114 HydrophobicContact CG-CG 3.87Å
88	T	62.2	Low	61.4	Low	83 Å²	83	64.8 Å²	64.8	51%	0.509	35%	0.349	S	S	.	.			trans	-63	157.3	169.2	62.8	0	0	0	0	109.4	H86 G90 I91 K92	H86-T88 VanDerWaalsContact C-N 3.3Å; H86-T88 PolarHBondContact O-N 2.97Å; T88-G90 PolarHBondContact O-N 3.16Å; T88-I91 WeakPolarHBondContact O-CA 3.47Å; T88-I91 PolarHBondContact O-N 3.07Å; T88-I91 PolarHBondContact OG1-N 3.31Å; T88-K92 PolarHBondContact O-N 2.92Å
89	T	60.2	Low	61.9	Low	123 Å²	123	67.8 Å²	67.8	76%	0.755	35%	0.351	S	S	*	.	H	α-helix	trans	-51.8	-34.1	175.2	-49.8	0	0	0	0	111.6	K92 F93	T89-K92 PolarHBondContact O-N 3.41Å; T89-F93 VanDerWaalsContact O-CB 3.27Å; T89-F93 WeakPolarHBondContact O-CB 3.32Å; T89-F93 PolarHBondContact O-N 2.9Å
90	G	59.7	Low	62.2	Low	46 Å²	46	72 Å²	72	47%	0.474	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-45.6	172.6	0	0	0	0	0	113.2	T88 F93 L94	T88-G90 PolarHBondContact O-N 3.16Å; G90-F93 WeakPolarHBondContact O-CB 3.32Å; G90-F93 PolarHBondContact O-N 2.82Å; G90-L94 VanDerWaalsContact O-CB 3.23Å; G90-L94 WeakPolarHBondContact O-CB 3.44Å; G90-L94 PolarHBondContact O-N 2.75Å
91	I	60.8	Low	62.2	Low	15 Å²	15	72.1 Å²	72.1	8%	0.077	38%	0.38	C	S	.	.	H	α-helix	trans	-69.1	-40.2	177	-64.3	165.9	0	0	0	111.1	A58 I84 T88 F93 L94 C95	A58-I91 HydrophobicContact CB-CD1 4.2Å; A58-I91 HydrophobicContact CB-CG1 4.17Å; A58-I91 HydrophobicContact CB-CG2 4.44Å; I84-I91 HydrophobicContact CD1-CG2 4.33Å; I84-I91 HydrophobicContact CG2-CG2 3.76Å; T88-I91 WeakPolarHBondContact O-CA 3.47Å; T88-I91 PolarHBondContact O-N 3.07Å; T88-I91 PolarHBondContact OG1-N 3.31Å; I91-F93 VanDerWaalsContact C-N 3.28Å; I91-F93 PolarHBondContact O-N 2.92Å; I91-L94 PolarHBondContact O-N 3.33Å; I91-C95 WeakPolarHBondContact O-CB 3.25Å; I91-C95 PolarHBondContact O-N 2.8Å; I91-C95 PolarHBondContact O-SG 3.37Å
92	K	65	Low	62.2	Low	91 Å²	91	71.6 Å²	71.6	40%	0.396	38%	0.375	S	S	.	.	H	α-helix	trans	-59.2	-43.2	173.8	-66.5	-174.9	179.7	-178.4	0	110.5	P87 T88 T89 T96 E114	P87-K92 HydrophobicContact CB-CG 4.09Å; T88-K92 PolarHBondContact O-N 2.92Å; T89-K92 PolarHBondContact O-N 3.41Å; K92-T96 WeakPolarHBondContact O-CB 3.41Å; K92-T96 PolarHBondContact O-N 3.22Å; K92-T96 PolarHBondContact O-OG1 2.74Å; K92-E114 IonicContact NZ-OE1 3.3Å; K92-E114 PolarHBondContact NZ-OE1 3.27Å
93	F	69.5	Low	61.8	Low	134 Å²	134	73.5 Å²	73.5	59%	0.588	39%	0.39	S	S	*	.	H	α-helix	trans	-63.9	-44.5	173.7	-178.9	-99	0	0	0	111.8	T89 G90 I91 T96 L97	T89-F93 VanDerWaalsContact O-CB 3.27Å; T89-F93 WeakPolarHBondContact O-CB 3.32Å; T89-F93 PolarHBondContact O-N 2.9Å; G90-F93 WeakPolarHBondContact O-CB 3.32Å; G90-F93 PolarHBondContact O-N 2.82Å; I91-F93 VanDerWaalsContact C-N 3.28Å; I91-F93 PolarHBondContact O-N 2.92Å; F93-T96 CarbonylContact O-C 3.38Å; F93-T96 WeakPolarHBondContact O-CA 3.48Å; F93-T96 WeakPolarHBondContact O-CB 3.36Å; F93-T96 PolarHBondContact O-N 3.29Å; F93-T96 VanDerWaalsContact O-N 3.14Å; F93-L97 HydrophobicContact CE1-CD2 4.19Å; F93-L97 WeakPolarHBondContact O-CB 3.47Å; F93-L97 PolarHBondContact O-N 2.79Å
94	L	62.3	Low	61.6	Low	56 Å²	56	77.2 Å²	77.2	29%	0.293	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-45.8	-179.8	-165.4	66.2	0	0	0	111.7	G90 I91 T96 L97 F98	G90-L94 VanDerWaalsContact O-CB 3.23Å; G90-L94 WeakPolarHBondContact O-CB 3.44Å; G90-L94 PolarHBondContact O-N 2.75Å; I91-L94 PolarHBondContact O-N 3.33Å; L94-T96 PolarHBondContact O-N 2.74Å; L94-L97 PolarHBondContact O-N 3.34Å; L94-F98 HydrophobicContact CD1-CD2 3.82Å; L94-F98 HydrophobicContact CD1-CE2 3.28Å; L94-F98 HydrophobicContact CD1-CZ 4.17Å; L94-F98 HydrophobicContact CD2-CE2 4.09Å; L94-F98 HydrophobicContact CG-CD2 3.63Å; L94-F98 HydrophobicContact CG-CE2 3.46Å; L94-F98 VanDerWaalsContact CG-CE2 3.46Å; L94-F98 WeakPolarHBondContact O-CB 3.19Å; L94-F98 WeakPolarHBondContact O-CD2 3.42Å; L94-F98 PolarHBondContact O-N 3.17Å
95	C	62.8	Low	61.2	Low	24 Å²	24	84.9 Å²	84.9	16%	0.162	45%	0.449	C	S	.	.	H	α-helix	trans	-61.5	-35	173.4	-69.6	0	0	0	0	111.8	I91 R99 Y112	I91-C95 WeakPolarHBondContact O-CB 3.25Å; I91-C95 PolarHBondContact O-N 2.8Å; I91-C95 PolarHBondContact O-SG 3.37Å; C95-R99 PolarHBondContact O-N 2.76Å; C95-Y112 WeakPolarHBondContact CB-OH 3.47Å
96	T	67.3	Low	61.3	Low	90 Å²	90	84.2 Å²	84.2	55%	0.552	44%	0.444	S	S	*	.	H	α-helix	trans	-72	-39.6	175	-57.5	0	0	0	0	111.8	K92 F93 L94 R99	K92-T96 WeakPolarHBondContact O-CB 3.41Å; K92-T96 PolarHBondContact O-N 3.22Å; K92-T96 PolarHBondContact O-OG1 2.74Å; F93-T96 CarbonylContact O-C 3.38Å; F93-T96 WeakPolarHBondContact O-CA 3.48Å; F93-T96 WeakPolarHBondContact O-CB 3.36Å; F93-T96 PolarHBondContact O-N 3.29Å; F93-T96 VanDerWaalsContact O-N 3.14Å; L94-T96 PolarHBondContact O-N 2.74Å; T96-R99 WeakPolarHBondContact O-CB 3.34Å; T96-R99 PolarHBondContact O-N 3.45Å
97	L	67.3	Low	61.3	Low	100 Å²	100	81.7 Å²	81.7	52%	0.524	44%	0.439	S	S	.	.	H	α-helix	trans	-69.2	-38.5	177.9	-176.6	64.9	0	0	0	111.7	F93 L94 R99 P100	F93-L97 HydrophobicContact CE1-CD2 4.19Å; F93-L97 WeakPolarHBondContact O-CB 3.47Å; F93-L97 PolarHBondContact O-N 2.79Å; L94-L97 PolarHBondContact O-N 3.34Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-P100 VanDerWaalsContact O-CD 3.26Å; L97-P100 WeakPolarHBondContact O-CD 3.23Å
98	F	63.1	Low	61.5	Low	69 Å²	69	87.4 Å²	87.4	30%	0.303	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.4	173.2	-72.5	-61.8	0	0	0	113.1	A64 L94 P100 F101 I102	A64-F98 HydrophobicContact CB-CE1 4.13Å; A64-F98 HydrophobicContact CB-CZ 3.88Å; L94-F98 HydrophobicContact CD1-CD2 3.82Å; L94-F98 HydrophobicContact CD1-CE2 3.28Å; L94-F98 HydrophobicContact CD1-CZ 4.17Å; L94-F98 HydrophobicContact CD2-CE2 4.09Å; L94-F98 HydrophobicContact CG-CD2 3.63Å; L94-F98 HydrophobicContact CG-CE2 3.46Å; L94-F98 VanDerWaalsContact CG-CE2 3.46Å; L94-F98 WeakPolarHBondContact O-CB 3.19Å; L94-F98 WeakPolarHBondContact O-CD2 3.42Å; L94-F98 PolarHBondContact O-N 3.17Å; F98-P100 VanDerWaalsContact C-CD 3.42Å; F98-P100 VanDerWaalsContact C-N 3.31Å; F98-P100 VanDerWaalsContact O-N 3.17Å; F98-F101 HydrophobicContact CD1-CB 4.46Å; F98-F101 HydrophobicContact CD1-CD2 4.19Å; F98-F101 CarbonylContact O-C 3.52Å; F98-F101 WeakPolarHBondContact O-CA 3.5Å; F98-F101 WeakPolarHBondContact O-CB 3.47Å; F98-F101 PolarHBondContact O-N 2.95Å; F98-I102 HydrophobicContact CB-CD1 3.52Å; F98-I102 HydrophobicContact CB-CG1 3.86Å; F98-I102 WeakPolarHBondContact O-CB 3.27Å; F98-I102 VanDerWaalsContact O-CG1 3.24Å; F98-I102 WeakPolarHBondContact O-CG1 3.37Å; F98-I102 PolarHBondContact O-N 3.39Å
99	R	65.4	Low	61.6	Low	185 Å²	185	86.5 Å²	86.5	70%	0.698	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	-42.1	174.7	-169.5	173.8	179.4	151.4	-0.2	115	C95 T96 L97 F101 I102	C95-R99 PolarHBondContact O-N 2.76Å; T96-R99 WeakPolarHBondContact O-CB 3.34Å; T96-R99 PolarHBondContact O-N 3.45Å; L97-R99 VanDerWaalsContact C-N 3.28Å; R99-F101 VanDerWaalsContact C-N 3.3Å; R99-F101 PolarHBondContact O-N 3.41Å; R99-I102 CarbonylContact O-C 3.53Å; R99-I102 VanDerWaalsContact O-C 3.25Å; R99-I102 PolarHBondContact O-N 3.35Å
100	P	59.4	Low	61.7	Low	105 Å²	105	81.7 Å²	81.7	68%	0.682	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-33.6	173	22.4	-34.5	0	0	0	113.6	L97 F98	L97-P100 VanDerWaalsContact O-CD 3.26Å; L97-P100 WeakPolarHBondContact O-CD 3.23Å; F98-P100 VanDerWaalsContact C-CD 3.42Å; F98-P100 VanDerWaalsContact C-N 3.31Å; F98-P100 VanDerWaalsContact O-N 3.17Å
101	F	58.8	Low	62	Low	145 Å²	145	82.4 Å²	82.4	64%	0.636	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-22	175.6	-63.7	-80.6	0	0	0	112.4	R76 F98 R99 S103	R76-F101 PolarHBondContact NH1-O 3.25Å; F98-F101 HydrophobicContact CD1-CB 4.46Å; F98-F101 HydrophobicContact CD1-CD2 4.19Å; F98-F101 CarbonylContact O-C 3.52Å; F98-F101 WeakPolarHBondContact O-CA 3.5Å; F98-F101 WeakPolarHBondContact O-CB 3.47Å; F98-F101 PolarHBondContact O-N 2.95Å; R99-F101 VanDerWaalsContact C-N 3.3Å; R99-F101 PolarHBondContact O-N 3.41Å; F101-S103 PolarHBondContact O-N 2.87Å
102	I	55.3	Low	62.2	Low	31 Å²	31	86.1 Å²	86.1	16%	0.159	44%	0.437	C	S	.	.	S	Bend	trans	-95.6	77.6	175	-57.3	171	0	0	0	107	F98 R99 S104 M106	F98-I102 HydrophobicContact CB-CD1 3.52Å; F98-I102 HydrophobicContact CB-CG1 3.86Å; F98-I102 WeakPolarHBondContact O-CB 3.27Å; F98-I102 VanDerWaalsContact O-CG1 3.24Å; F98-I102 WeakPolarHBondContact O-CG1 3.37Å; F98-I102 PolarHBondContact O-N 3.39Å; R99-I102 CarbonylContact O-C 3.53Å; R99-I102 VanDerWaalsContact O-C 3.25Å; R99-I102 PolarHBondContact O-N 3.35Å; I102-S104 PolarHBondContact O-N 3.06Å; I102-M106 HydrophobicContact CB-CE 4Å; I102-M106 HydrophobicContact CD1-CE 4.29Å; I102-M106 HydrophobicContact CG1-CE 3.57Å; I102-M106 HydrophobicContact CG2-CB 3.98Å; I102-M106 HydrophobicContact CG2-CE 3.63Å; I102-M106 HydrophobicContact CG2-CG 4.21Å
103	S	57.2	Low	62.1	Low	57 Å²	57	81.9 Å²	81.9	40%	0.399	42%	0.419	S	S	.	.			trans	-29.6	134.4	157.5	169.2	0	0	0	0	113	R76 F101 K105 M106 S107	R76-S103 VanDerWaalsContact CZ-CB 3.46Å; R76-S103 PolarHBondContact NH2-O 2.79Å; F101-S103 PolarHBondContact O-N 2.87Å; S103-K105 PolarHBondContact O-N 3.28Å; S103-M106 PolarHBondContact O-N 3.43Å; S103-S107 PolarHBondContact O-N 2.86Å
104	S	55.4	Low	61.4	Low	85 Å²	85	80.7 Å²	80.7	59%	0.594	42%	0.415	S	S	*	.	H	α-helix	trans	-44.4	-33.5	-179.9	170.6	0	0	0	0	113.6	I102 M106 S107 N108	I102-S104 PolarHBondContact O-N 3.06Å; S104-M106 VanDerWaalsContact C-N 3.3Å; S104-M106 PolarHBondContact O-N 3.3Å; S104-S107 WeakPolarHBondContact O-CB 3.38Å; S104-S107 PolarHBondContact O-N 3.14Å; S104-N108 PolarHBondContact O-N 3.16Å
105	K	58.1	Low	60.8	Low	165 Å²	165	81.4 Å²	81.4	72%	0.717	42%	0.422	S	S	*	.	H	α-helix	trans	-62.5	-31.1	176.9	-65.7	-176	179.4	178.5	0	114.2	S103	S103-K105 PolarHBondContact O-N 3.28Å
106	M	59.6	Low	60.3	Low	30 Å²	30	83.5 Å²	83.5	15%	0.148	43%	0.432	C	S	.	.	H	α-helix	trans	-85.1	-31.2	176.5	-174	162.3	86.3	0	0	111.8	R76 I102 S103 S104 N108 K109 V110	R76-M106 HydrophobicContact CB-SD 4.18Å; R76-M106 HydrophobicContact CG-SD 3.59Å; R76-M106 VanDerWaalsContact CG-SD 3.59Å; I102-M106 HydrophobicContact CB-CE 4Å; I102-M106 HydrophobicContact CD1-CE 4.29Å; I102-M106 HydrophobicContact CG1-CE 3.57Å; I102-M106 HydrophobicContact CG2-CB 3.98Å; I102-M106 HydrophobicContact CG2-CE 3.63Å; I102-M106 HydrophobicContact CG2-CG 4.21Å; S103-M106 PolarHBondContact O-N 3.43Å; S104-M106 VanDerWaalsContact C-N 3.3Å; S104-M106 PolarHBondContact O-N 3.3Å; M106-N108 PolarHBondContact O-N 3.05Å; M106-K109 WeakPolarHBondContact O-CA 3.3Å; M106-K109 WeakPolarHBondContact O-CB 3.43Å; M106-K109 PolarHBondContact O-N 3.18Å; M106-V110 WeakPolarHBondContact O-CG2 3.5Å; M106-V110 PolarHBondContact O-N 2.8Å
107	S	57.8	Low	59.4	Low	66 Å²	66	83.2 Å²	83.2	46%	0.462	43%	0.433	S	S	.	.	H	α-helix	trans	-55.6	-37.6	174.2	-169.3	0	0	0	0	111.4	S103 S104 K109 V110	S103-S107 PolarHBondContact O-N 2.86Å; S104-S107 WeakPolarHBondContact O-CB 3.38Å; S104-S107 PolarHBondContact O-N 3.14Å; S107-K109 PolarHBondContact O-N 3.13Å; S107-V110 PolarHBondContact O-N 2.88Å
108	N	63.7	Low	58.7	Low	136 Å²	136	83.3 Å²	83.3	73%	0.727	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.7	176.5	-63.7	-12.3	0	0	0	113.9	S104 M106	S104-N108 PolarHBondContact O-N 3.16Å; M106-N108 PolarHBondContact O-N 3.05Å
109	K	64.4	Low	58.2	Low	64 Å²	64	80.4 Å²	80.4	28%	0.278	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-12	176	-59.6	179.8	174.4	-176.7	0	111.6	L79 K80 T81 L82 M106 S107 V111	L79-K109 WeakPolarHBondContact O-CD 3.33Å; L79-K109 WeakPolarHBondContact O-CE 3.32Å; L79-K109 PolarHBondContact O-NZ 3.5Å; K80-K109 WeakPolarHBondContact O-CD 3.44Å; K80-K109 VanDerWaalsContact O-CG 3.26Å; K80-K109 WeakPolarHBondContact O-CG 3.36Å; T81-K109 CarbonylContact C-O 3.56Å; T81-K109 WeakPolarHBondContact CA-O 2.78Å; L82-K109 PolarHBondContact N-O 2.89Å; M106-K109 WeakPolarHBondContact O-CA 3.3Å; M106-K109 WeakPolarHBondContact O-CB 3.43Å; M106-K109 PolarHBondContact O-N 3.18Å; S107-K109 PolarHBondContact O-N 3.13Å; K109-V111 PolarHBondContact O-N 3.44Å
110	V	63.1	Low	57.5	Low	22 Å²	22	76.8 Å²	76.8	13%	0.133	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116	179.8	-172.8	0	0	0	0	109.5	L82 I84 M106 S107 Y112	L82-V110 HydrophobicContact CB-CG2 4.46Å; L82-V110 HydrophobicContact CD2-CG2 3.95Å; L82-V110 CarbonylContact O-C 3.36Å; L82-V110 VanDerWaalsContact O-CA 3.3Å; L82-V110 WeakPolarHBondContact O-CA 3.47Å; I84-V110 HydrophobicContact CD1-CG1 3.47Å; I84-V110 VanDerWaalsContact CD1-CG1 3.47Å; I84-V110 HydrophobicContact CG1-CG1 4Å; M106-V110 WeakPolarHBondContact O-CG2 3.5Å; M106-V110 PolarHBondContact O-N 2.8Å; S107-V110 PolarHBondContact O-N 2.88Å; V110-Y112 HydrophobicContact CG1-CD1 4.32Å; V110-Y112 HydrophobicContact CG1-CD2 4.37Å; V110-Y112 HydrophobicContact CG1-CE1 3.91Å; V110-Y112 HydrophobicContact CG1-CE2 3.93Å
111	V	65.3	Low	57.2	Low	60 Å²	60	73.8 Å²	73.8	36%	0.364	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.7	171	179.8	0	0	0	0	107.1	T81 L82 C83 I84 K109	T81-V111 HydrophobicContact CG2-CG2 3.78Å; L82-V111 PolarHBondContact O-N 3.21Å; C83-V111 CarbonylContact C-O 3.52Å; C83-V111 WeakPolarHBondContact CA-O 3.37Å; I84-V111 PolarHBondContact N-O 3.32Å; K109-V111 PolarHBondContact O-N 3.44Å
112	Y	66.6	Low	56.9	Low	93 Å²	93	70.2 Å²	70.2	37%	0.365	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.4	172.2	-61.5	-76.7	0	0	0	107.9	I84 P87 C95 V110	I84-Y112 HydrophobicContact CB-CD1 3.91Å; I84-Y112 HydrophobicContact CB-CE1 4.36Å; I84-Y112 HydrophobicContact CD1-CD1 4.05Å; I84-Y112 HydrophobicContact CD1-CE1 3.61Å; I84-Y112 HydrophobicContact CG1-CD1 4.49Å; I84-Y112 HydrophobicContact CG2-CD1 4.04Å; I84-Y112 HydrophobicContact CG2-CE1 4.41Å; P87-Y112 HydrophobicContact CB-CD1 3.79Å; P87-Y112 HydrophobicContact CB-CE1 4.49Å; P87-Y112 HydrophobicContact CG-CD1 4.38Å; C95-Y112 WeakPolarHBondContact CB-OH 3.47Å; V110-Y112 HydrophobicContact CG1-CD1 4.32Å; V110-Y112 HydrophobicContact CG1-CD2 4.37Å; V110-Y112 HydrophobicContact CG1-CE1 3.91Å; V110-Y112 HydrophobicContact CG1-CE2 3.93Å
113	A	61	Low	56.8	Low	2 Å²	2	69.1 Å²	69.1	2%	0.017	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110	172.5	0	0	0	0	0	108.1	I84 H86 P87 T115 L119	I84-A113 PolarHBondContact O-N 3.38Å; H86-A113 PolarHBondContact N-O 2.98Å; P87-A113 WeakPolarHBondContact CD-O 3.44Å; A113-T115 VanDerWaalsContact C-N 3.34Å; A113-L119 HydrophobicContact CB-CD1 4.4Å
114	E	56.4	Low	56.5	Low	109 Å²	109	71.4 Å²	71.4	51%	0.509	39%	0.385	S	S	.	.	S	Bend	trans	-79.2	-24.7	176.4	-62.7	-163.9	159.8	0	0	111	P87 K92 E118	P87-E114 HydrophobicContact CG-CG 3.87Å; K92-E114 IonicContact NZ-OE1 3.3Å; K92-E114 PolarHBondContact NZ-OE1 3.27Å; E114-E118 PolarHBondContact N-OE2 3.3Å; E114-E118 VanDerWaalsContact N-OE2 3.1Å
115	T	49.2	Very low	56.2	Low	72 Å²	72	68.7 Å²	68.7	44%	0.442	37%	0.365	S	S	.	.	S	Bend	trans	-138.2	152.6	178	57.5	0	0	0	0	111.8	A113 S117 E118	A113-T115 VanDerWaalsContact C-N 3.34Å; T115-S117 PolarHBondContact O-N 3.31Å; T115-S117 VanDerWaalsContact O-N 3.16Å; T115-E118 PolarHBondContact O-N 2.83Å
116	L	52.7	Low	55.7	Low	68 Å²	68	68.6 Å²	68.6	36%	0.356	37%	0.372	S	S	.	.	H	α-helix	trans	-56.5	-27.6	174.4	-78.2	163.4	0	0	0	112.3	E118 L119 E120 V134	L116-E118 PolarHBondContact O-N 2.79Å; L116-L119 HydrophobicContact CD2-CD2 4.21Å; L116-L119 CarbonylContact O-C 3.25Å; L116-L119 WeakPolarHBondContact O-CA 3.26Å; L116-L119 WeakPolarHBondContact O-CB 3.43Å; L116-L119 PolarHBondContact O-N 3.45Å; L116-L119 VanDerWaalsContact O-N 3.1Å; L116-E120 WeakPolarHBondContact O-CG 3.18Å; L116-E120 PolarHBondContact O-N 3.14Å; L116-V134 HydrophobicContact CD1-CG1 4.48Å
117	S	47.2	Very low	55.1	Low	83 Å²	83	71.7 Å²	71.7	58%	0.58	39%	0.386	S	S	*	.	H	α-helix	trans	-68.9	-28.8	179.7	-54.4	0	0	0	0	114.1	T115 L119 G121	T115-S117 PolarHBondContact O-N 3.31Å; T115-S117 VanDerWaalsContact O-N 3.16Å; S117-L119 VanDerWaalsContact C-N 3.31Å; S117-G121 PolarHBondContact O-N 3.17Å
118	E	52.7	Low	54.7	Low	103 Å²	103	69.7 Å²	69.7	48%	0.481	37%	0.37	S	S	.	.	H	α-helix	trans	-73.5	-29.7	170.8	-70.3	-179	145.6	0	0	111.5	E114 T115 L116 G121	E114-E118 PolarHBondContact N-OE2 3.3Å; E114-E118 VanDerWaalsContact N-OE2 3.1Å; T115-E118 PolarHBondContact O-N 2.83Å; L116-E118 PolarHBondContact O-N 2.79Å; E118-G121 PolarHBondContact O-N 3.19Å
119	L	53.4	Low	54	Low	8 Å²	8	66.6 Å²	66.6	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-40.9	174.6	-160.4	64.9	0	0	0	110.9	C83 V85 A113 L116 S117 G121 T122 L123 L128	C83-L119 HydrophobicContact CB-CD1 4.4Å; C83-L119 WeakPolarHBondContact SG-CD1 3.34Å; V85-L119 HydrophobicContact CG2-CD2 4.22Å; A113-L119 HydrophobicContact CB-CD1 4.4Å; L116-L119 HydrophobicContact CD2-CD2 4.21Å; L116-L119 CarbonylContact O-C 3.25Å; L116-L119 WeakPolarHBondContact O-CA 3.26Å; L116-L119 WeakPolarHBondContact O-CB 3.43Å; L116-L119 PolarHBondContact O-N 3.45Å; L116-L119 VanDerWaalsContact O-N 3.1Å; S117-L119 VanDerWaalsContact C-N 3.31Å; L119-G121 PolarHBondContact O-N 3.1Å; L119-T122 PolarHBondContact O-N 3.26Å; L119-T122 VanDerWaalsContact O-N 3.13Å; L119-L123 HydrophobicContact CD1-CD1 3.27Å; L119-L123 HydrophobicContact CD1-CG 3.81Å; L119-L123 HydrophobicContact CD2-CD1 4.25Å; L119-L123 HydrophobicContact CG-CB 4.49Å; L119-L123 HydrophobicContact CG-CD1 3.6Å; L119-L123 HydrophobicContact CG-CG 4.03Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 PolarHBondContact O-N 2.93Å; L119-L128 HydrophobicContact CD2-CD1 3.7Å; L119-L128 HydrophobicContact CG-CD1 4.47Å
120	E	50.9	Low	53.2	Low	109 Å²	109	65.3 Å²	65.3	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-59.8	-30.5	173.1	-72.1	176.9	170.6	0	0	113.4	L116 T122 V125	L116-E120 WeakPolarHBondContact O-CG 3.18Å; L116-E120 PolarHBondContact O-N 3.14Å; E120-T122 PolarHBondContact O-N 3.23Å; E120-V125 HydrophobicContact CB-CG2 4.08Å; E120-V125 HydrophobicContact CG-CB 3.76Å; E120-V125 HydrophobicContact CG-CG1 4.14Å; E120-V125 HydrophobicContact CG-CG2 3.36Å
121	G	52.6	Low	52.5	Low	42 Å²	42	68.2 Å²	68.2	43%	0.433	37%	0.373	S	S	.	.	H	α-helix	trans	-66.8	-26.5	176.5	0	0	0	0	0	113.7	K48 S117 E118 L119	K48-G121 WeakPolarHBondContact CE-O 3.05Å; K48-G121 PolarHBondContact NZ-O 3.14Å; S117-G121 PolarHBondContact O-N 3.17Å; E118-G121 PolarHBondContact O-N 3.19Å; L119-G121 PolarHBondContact O-N 3.1Å
122	T	52.1	Low	51.6	Low	70 Å²	70	73.5 Å²	73.5	43%	0.429	39%	0.393	S	S	.	.	H	α-helix	trans	-115.6	-28.1	-170.4	-46.1	0	0	0	0	112.7	L119 E120	L119-T122 PolarHBondContact O-N 3.26Å; L119-T122 VanDerWaalsContact O-N 3.13Å; E120-T122 PolarHBondContact O-N 3.23Å
123	L	53	Low	50.4	Low	8 Å²	8	79.9 Å²	79.9	4%	0.042	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-120.7	144.6	-175.2	-49.8	-166.8	0	0	0	110.8	A44 I53 L119 V125	A44-L123 HydrophobicContact CB-CD1 4.1Å; I53-L123 HydrophobicContact CB-CD2 3.99Å; I53-L123 HydrophobicContact CD1-CD2 2.96Å; I53-L123 HydrophobicContact CD1-CG 4.44Å; I53-L123 HydrophobicContact CG1-CD2 3.87Å; I53-L123 HydrophobicContact CG2-CD1 3.87Å; I53-L123 HydrophobicContact CG2-CD2 3.69Å; L119-L123 HydrophobicContact CD1-CD1 3.27Å; L119-L123 HydrophobicContact CD1-CG 3.81Å; L119-L123 HydrophobicContact CD2-CD1 4.25Å; L119-L123 HydrophobicContact CG-CB 4.49Å; L119-L123 HydrophobicContact CG-CD1 3.6Å; L119-L123 HydrophobicContact CG-CG 4.03Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 PolarHBondContact O-N 2.93Å; L123-V125 PolarHBondContact O-N 3.41Å
124	F	51.5	Low	49.8	Very low	105 Å²	105	83.6 Å²	83.6	46%	0.461	44%	0.439	S	S	.	.			trans	-70.8	94.4	162.9	-69.2	-78.5	0	0	0	108.5	K48 D126 Q127	K48-F124 HydrophobicContact CG-CE2 4.38Å; K48-F124 HydrophobicContact CG-CZ 4.43Å; F124-D126 PolarHBondContact O-N 2.78Å; F124-Q127 HydrophobicContact CB-CG 4.41Å; F124-Q127 PolarHBondContact O-N 3.48Å
125	V	50	Low	49.5	Very low	27 Å²	27	84 Å²	84	16%	0.164	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-62	-14.9	-177.3	168.2	0	0	0	0	113.4	E120 L123 Q127 L128 I130	E120-V125 HydrophobicContact CB-CG2 4.08Å; E120-V125 HydrophobicContact CG-CB 3.76Å; E120-V125 HydrophobicContact CG-CG1 4.14Å; E120-V125 HydrophobicContact CG-CG2 3.36Å; L123-V125 PolarHBondContact O-N 3.41Å; V125-Q127 PolarHBondContact O-N 3.38Å; V125-L128 HydrophobicContact CG2-CD1 4.19Å; V125-L128 PolarHBondContact O-N 3.02Å; V125-I130 HydrophobicContact CG1-CD1 4.12Å
126	D	46.3	Very low	49.5	Very low	163 Å²	163	87.8 Å²	87.8	87%	0.872	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-66.2	-11	170.7	-65.6	-28.9	0	0	0	114.3	F124	F124-D126 PolarHBondContact O-N 2.78Å
127	Q	48	Very low	49.1	Very low	95 Å²	95	90 Å²	90	44%	0.444	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-105.2	-0.2	179.6	-62.7	-172.2	2.5	0	0	114.2	F124 V125 P129	F124-Q127 HydrophobicContact CB-CG 4.41Å; F124-Q127 PolarHBondContact O-N 3.48Å; V125-Q127 PolarHBondContact O-N 3.38Å; Q127-P129 WeakPolarHBondContact O-CD 3.04Å
128	L	48.7	Very low	49.3	Very low	24 Å²	24	91.5 Å²	91.5	13%	0.126	47%	0.467	C	S	.	.	S	Bend	trans	-82.3	126.7	176.7	-84.1	158.7	0	0	0	110.1	A44 V55 L119 V125 I130	A44-L128 VanDerWaalsContact CA-CD2 3.48Å; A44-L128 HydrophobicContact CB-CD2 3.74Å; A44-L128 HydrophobicContact CB-CG 4.4Å; V55-L128 HydrophobicContact CG2-CD2 3.68Å; L119-L128 HydrophobicContact CD2-CD1 3.7Å; L119-L128 HydrophobicContact CG-CD1 4.47Å; V125-L128 HydrophobicContact CG2-CD1 4.19Å; V125-L128 PolarHBondContact O-N 3.02Å; L128-I130 HydrophobicContact CB-CD1 4.1Å; L128-I130 HydrophobicContact CB-CG1 3.64Å; L128-I130 PolarHBondContact O-N 3.14Å
129	P	49.2	Very low	49.2	Very low	72 Å²	72	93.4 Å²	93.4	47%	0.468	48%	0.48	S	S	.	.			trans	-71.4	72.6	166.8	24	-23.8	0	0	0	109.4	Q42 G43 Q127 P131	Q42-P129 HydrophobicContact CG-CG 4.22Å; Q42-P129 PolarHBondContact NE2-O 3.32Å; Q42-P129 VanDerWaalsContact NE2-O 3.17Å; G43-P129 WeakPolarHBondContact O-CD 3.27Å; Q127-P129 WeakPolarHBondContact O-CD 3.04Å; P129-P131 WeakPolarHBondContact O-CD 3.49Å
130	I	48.3	Very low	48.8	Very low	36 Å²	36	100 Å²	100	19%	0.185	51%	0.506	C	S	.	.			trans	-75.1	120.6	174.1	-56.1	178.8	0	0	0	106.7	V125 L128 Q132 V134 L135	V125-I130 HydrophobicContact CG1-CD1 4.12Å; L128-I130 HydrophobicContact CB-CD1 4.1Å; L128-I130 HydrophobicContact CB-CG1 3.64Å; L128-I130 PolarHBondContact O-N 3.14Å; I130-Q132 PolarHBondContact O-N 2.86Å; I130-V134 HydrophobicContact CG2-CB 3.88Å; I130-V134 HydrophobicContact CG2-CG1 4.37Å; I130-L135 HydrophobicContact CG2-CG 4.09Å
131	P	47.3	Very low	48.6	Very low	84 Å²	84	99.9 Å²	99.9	55%	0.545	52%	0.517	S	S	.	.			trans	-54.6	129.9	171.9	-19.9	30.1	0	0	0	108.9	P129 R133 V134	P129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-R133 PolarHBondContact O-N 3.1Å; P131-V134 PolarHBondContact O-N 3.18Å
132	Q	47.2	Very low	48.6	Very low	170 Å²	170	105.3 Å²	105.3	79%	0.794	54%	0.535	S	S	*	.	H	α-helix	trans	-53.9	-15.5	-177.6	-69.5	-157.6	-33.4	0	0	114.3	I130 V134 K136	I130-Q132 PolarHBondContact O-N 2.86Å; Q132-V134 VanDerWaalsContact C-N 3.28Å; Q132-V134 PolarHBondContact O-N 3.21Å; Q132-K136 PolarHBondContact O-N 2.49Å
133	R	41.1	Very low	48.2	Very low	228 Å²	228	107 Å²	107	86%	0.86	55%	0.548	S	S	*	.	H	α-helix	trans	-65.5	-25.4	175.6	-145.4	172.3	-96.3	149.5	-8	113.5	P131	P131-R133 PolarHBondContact O-N 3.1Å
134	V	47.7	Very low	48.1	Very low	79 Å²	79	112.7 Å²	112.7	48%	0.479	59%	0.586	S	S	.	*	H	α-helix	trans	-89.2	-35.5	177.1	-177.6	0	0	0	0	111.8	L116 I130 P131 Q132 K136 Y137	L116-V134 HydrophobicContact CD1-CG1 4.48Å; I130-V134 HydrophobicContact CG2-CB 3.88Å; I130-V134 HydrophobicContact CG2-CG1 4.37Å; P131-V134 PolarHBondContact O-N 3.18Å; Q132-V134 VanDerWaalsContact C-N 3.28Å; Q132-V134 PolarHBondContact O-N 3.21Å; V134-K136 PolarHBondContact O-N 2.87Å; V134-K136 VanDerWaalsContact O-N 3.16Å; V134-Y137 PolarHBondContact O-N 3.37Å
135	L	51.4	Low	47.5	Very low	118 Å²	118	114.8 Å²	114.8	62%	0.618	60%	0.602	S	S	*	*	H	α-helix	trans	-64.7	-18.5	177.3	-72.4	167.9	0	0	0	113.5	I130 Y137	I130-L135 HydrophobicContact CG2-CG 4.09Å; L135-Y137 VanDerWaalsContact C-N 3.28Å; L135-Y137 PolarHBondContact O-N 3.24Å
136	K	49.4	Very low	47.2	Very low	151 Å²	151	118.5 Å²	118.5	66%	0.657	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-11.8	-178.9	-155.3	171	-175.5	180	0	113.5	Q132 V134	Q132-K136 PolarHBondContact O-N 2.49Å; V134-K136 PolarHBondContact O-N 2.87Å; V134-K136 VanDerWaalsContact O-N 3.16Å
137	Y	43.8	Very low	47.1	Very low	114 Å²	114	121.2 Å²	121.2	45%	0.447	66%	0.658	S	S	.	*			trans	-148.3	83.1	-172.6	-63.6	-73.7	0	0	0	114.2	V134 L135 N139 Y140	V134-Y137 PolarHBondContact O-N 3.37Å; L135-Y137 VanDerWaalsContact C-N 3.28Å; L135-Y137 PolarHBondContact O-N 3.24Å; Y137-N139 PolarHBondContact O-N 2.79Å; Y137-N139 VanDerWaalsContact O-N 3.14Å; Y137-Y140 AromaticContact CD1-CD2 3.68Å; Y137-Y140 HydrophobicContact CD1-CD2 3.68Å; Y137-Y140 HydrophobicContact CD1-CE1 4.16Å; Y137-Y140 AromaticContact CD1-CE2 2.94Å; Y137-Y140 HydrophobicContact CD1-CE2 2.94Å; Y137-Y140 AromaticContact CD1-CZ 3.19Å; Y137-Y140 WeakPolarHBondContact CD1-OH 3.36Å; Y137-Y140 AromaticContact CD2-CD2 3.87Å; Y137-Y140 HydrophobicContact CD2-CD2 3.87Å; Y137-Y140 AromaticContact CD2-CE2 3.27Å; Y137-Y140 HydrophobicContact CD2-CE2 3.27Å; Y137-Y140 HydrophobicContact CE1-CD2 4.44Å; Y137-Y140 HydrophobicContact CE1-CE1 4.37Å; Y137-Y140 AromaticContact CE1-CE2 3.32Å; Y137-Y140 HydrophobicContact CE1-CE2 3.32Å; Y137-Y140 AromaticContact CE1-CZ 3.23Å; Y137-Y140 WeakPolarHBondContact CE1-OH 3.15Å; Y137-Y140 AromaticContact CE2-CE2 3.59Å; Y137-Y140 HydrophobicContact CE2-CE2 3.59Å; Y137-Y140 AromaticContact CG-CD2 3.31Å; Y137-Y140 HydrophobicContact CG-CD2 3.31Å; Y137-Y140 AromaticContact CG-CE2 2.88Å; Y137-Y140 HydrophobicContact CG-CE2 2.88Å; Y137-Y140 HydrophobicContact CG-CG 4.43Å; Y137-Y140 AromaticContact CG-CZ 3.69Å; Y137-Y140 AromaticContact CZ-CE2 3.58Å; Y137-Y140 AromaticContact CZ-CZ 3.72Å; Y137-Y140 PolarHBondContact OH-OH 3.26Å
138	P	50.1	Low	47	Very low	116 Å²	116	122.5 Å²	122.5	75%	0.753	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-6.6	175.2	25.5	-32.2	0	0	0	114.2
139	N	51.9	Low	46.9	Very low	142 Å²	142	127.7 Å²	127.7	76%	0.759	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.8	51	-169.9	-69.5	-42.7	0	0	0	114.2	Y137	Y137-N139 PolarHBondContact O-N 2.79Å; Y137-N139 VanDerWaalsContact O-N 3.14Å
140	Y	45.6	Very low	46.8	Very low	148 Å²	148	130.8 Å²	130.8	58%	0.58	71%	0.71	S	S	*	*			trans	-99.9	94.8	170.2	-82.9	-45.6	0	0	0	113	Y137 L142	Y137-Y140 AromaticContact CD1-CD2 3.68Å; Y137-Y140 HydrophobicContact CD1-CD2 3.68Å; Y137-Y140 HydrophobicContact CD1-CE1 4.16Å; Y137-Y140 AromaticContact CD1-CE2 2.94Å; Y137-Y140 HydrophobicContact CD1-CE2 2.94Å; Y137-Y140 AromaticContact CD1-CZ 3.19Å; Y137-Y140 WeakPolarHBondContact CD1-OH 3.36Å; Y137-Y140 AromaticContact CD2-CD2 3.87Å; Y137-Y140 HydrophobicContact CD2-CD2 3.87Å; Y137-Y140 AromaticContact CD2-CE2 3.27Å; Y137-Y140 HydrophobicContact CD2-CE2 3.27Å; Y137-Y140 HydrophobicContact CE1-CD2 4.44Å; Y137-Y140 HydrophobicContact CE1-CE1 4.37Å; Y137-Y140 AromaticContact CE1-CE2 3.32Å; Y137-Y140 HydrophobicContact CE1-CE2 3.32Å; Y137-Y140 AromaticContact CE1-CZ 3.23Å; Y137-Y140 WeakPolarHBondContact CE1-OH 3.15Å; Y137-Y140 AromaticContact CE2-CE2 3.59Å; Y137-Y140 HydrophobicContact CE2-CE2 3.59Å; Y137-Y140 AromaticContact CG-CD2 3.31Å; Y137-Y140 HydrophobicContact CG-CD2 3.31Å; Y137-Y140 AromaticContact CG-CE2 2.88Å; Y137-Y140 HydrophobicContact CG-CE2 2.88Å; Y137-Y140 HydrophobicContact CG-CG 4.43Å; Y137-Y140 AromaticContact CG-CZ 3.69Å; Y137-Y140 AromaticContact CZ-CE2 3.58Å; Y137-Y140 AromaticContact CZ-CZ 3.72Å; Y137-Y140 PolarHBondContact OH-OH 3.26Å; Y140-L142 PolarHBondContact O-N 3.35Å
141	S	45.3	Very low	46.7	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	74%	0.74	S	S	*	*			trans	-57.3	112.8	140.8	51.5	0	0	0	0	107.9	P143	S141-P143 WeakPolarHBondContact O-CD 2.83Å
142	L	53.3	Low	46.7	Very low	155 Å²	155	139.6 Å²	139.6	81%	0.812	75%	0.753	S	S	*	*			trans	-59.9	125	170.3	-74.8	166.1	0	0	0	108.5	Y140	Y140-L142 PolarHBondContact O-N 3.35Å
143	P	42.7	Very low	46.7	Very low	107 Å²	107	137.6 Å²	137.6	70%	0.695	75%	0.75	S	S	*	*			trans	-66.3	137.3	166	27.9	-29.5	0	0	0	108.5	S141 D145	S141-P143 WeakPolarHBondContact O-CD 2.83Å; P143-D145 PolarHBondContact O-N 3.02Å
144	C	51.2	Low	47.1	Very low	126 Å²	126	131.1 Å²	131.1	85%	0.851	74%	0.742	S	S	*	*	S	Bend	trans	-67.7	4.3	-173.2	-74	0	0	0	0	115.8
145	D	38.8	Very low	47	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	76%	0.762	S	S	*	*			trans	-130	96.5	-167.6	-58.2	-44.1	0	0	0	112	P143	P143-D145 PolarHBondContact O-N 3.02Å
146	A	44.4	Very low	46.6	Very low	104 Å²	104	136.6 Å²	136.6	86%	0.86	77%	0.774	S	S	*	*			trans	-155.9	72.9	159.7	0	0	0	0	0	109.9
147	V	43.1	Very low	46.4	Very low	220 Å²	220	135.3 Å²	135.3	100%	1.333	79%	0.785	S	S	*	*			trans	-90.6	0	151.1	174.6	0	0	0	0	107.4

Retrieved 147 of 147 residues in 141.7 ms (Link to these results)

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