A0A5K4FAZ8_SCHMA Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 131 aa.

						>A0A5K4FAZ8_SCHMA|A0A5K4FAZ8
MLAQMVNLQSGIRVISLPQASDIPTPGTDVFIVGYGRDDNDRDPSRRAGGILKKGELVVNKQHDSVCLIRWLCWTVVIAVVDLSVKVDLQLLVSRLSSPRPLIVWNGMSDRSDEREMTKHCANDRIVLYTR
					

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	40.9	Very low	49.5	Very low	174 Å²	174	105.2 Å²	105.2	86%	0.857	58%	0.581	S	S	*	*				0	73.7	0	-157	174	-176.6	0	0	109.6	Q4	M1-Q4 HydrophobicContact CE-CG 3.86Å; M1-Q4 HydrophobicContact CG-CG 4.23Å; M1-Q4 VanDerWaalsContact SD-CD 3.58Å; M1-Q4 HydrophobicContact SD-CG 4.33Å; M1-Q4 PolarHBondContact SD-OE1 3.01Å
2	L	44	Very low	50.1	Low	117 Å²	117	98.3 Å²	98.3	61%	0.613	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-77.3	-28.7	-175.6	-86.4	159.2	0	0	0	113.1	Q4 M5 V6	L2-Q4 PolarHBondContact O-N 3.41Å; L2-Q4 VanDerWaalsContact O-N 3.1Å; L2-M5 PolarHBondContact O-N 2.94Å; L2-V6 PolarHBondContact O-N 2.71Å
3	A	46.5	Very low	50.3	Low	71 Å²	71	105.7 Å²	105.7	59%	0.587	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-62.8	-16.3	-177.9	0	0	0	0	0	114.5	L8	A3-L8 HydrophobicContact CB-CD1 4.35Å
4	Q	50.7	Low	50.4	Low	148 Å²	148	106.6 Å²	106.6	69%	0.692	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-89.8	-16	173.2	-73	-172.1	-26.8	0	0	113.7	M1 L2	M1-Q4 HydrophobicContact CE-CG 3.86Å; M1-Q4 HydrophobicContact CG-CG 4.23Å; M1-Q4 VanDerWaalsContact SD-CD 3.58Å; M1-Q4 HydrophobicContact SD-CG 4.33Å; M1-Q4 PolarHBondContact SD-OE1 3.01Å; L2-Q4 PolarHBondContact O-N 3.41Å; L2-Q4 VanDerWaalsContact O-N 3.1Å
5	M	50.7	Low	50.9	Low	133 Å²	133	105.7 Å²	105.7	66%	0.655	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-5.5	-175.3	-60.2	-171.6	76.7	0	0	112.7	L2 K86	L2-M5 PolarHBondContact O-N 2.94Å; M5-K86 PolarHBondContact SD-NZ 3.34Å
6	V	50.7	Low	51.3	Low	40 Å²	40	105.8 Å²	105.8	24%	0.242	57%	0.574	C	S	.	*	S	Bend	trans	-137.5	120.9	-173.1	-174.9	0	0	0	0	107.2	L2 L8 I12	L2-V6 PolarHBondContact O-N 2.71Å; V6-L8 PolarHBondContact O-N 3.33Å; V6-I12 HydrophobicContact CG1-CB 4.17Å; V6-I12 HydrophobicContact CG1-CD1 3.52Å; V6-I12 HydrophobicContact CG1-CG1 4.31Å; V6-I12 HydrophobicContact CG1-CG2 3.46Å; V6-I12 VanDerWaalsContact CG1-CG2 3.46Å
7	N	50.2	Low	52	Low	91 Å²	91	107.7 Å²	107.7	49%	0.487	58%	0.583	S	S	.	*			trans	-71.9	98.2	178.6	-177.8	-2.1	0	0	0	110	Q9 S10 I12	N7-Q9 PolarHBondContact O-N 3.21Å; N7-Q9 VanDerWaalsContact O-N 3.14Å; N7-Q9 VanDerWaalsContact OD1-CB 3.31Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.35Å; N7-Q9 PolarHBondContact OD1-N 2.72Å; N7-S10 WeakPolarHBondContact CB-OG 3.21Å; N7-S10 PolarHBondContact O-N 3.23Å; N7-S10 VanDerWaalsContact O-N 3.13Å; N7-S10 PolarHBondContact O-OG 3.36Å; N7-I12 WeakPolarHBondContact O-CD1 3.42Å
8	L	52.5	Low	52.5	Low	95 Å²	95	107.2 Å²	107.2	50%	0.497	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-12.8	-179.9	-62.1	176.7	0	0	0	113.5	A3 V6 V14	A3-L8 HydrophobicContact CB-CD1 4.35Å; V6-L8 PolarHBondContact O-N 3.33Å; L8-V14 HydrophobicContact CD2-CG2 4.25Å
9	Q	53.1	Low	52.6	Low	184 Å²	184	108.7 Å²	108.7	86%	0.86	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-19.1	175.1	-61.4	-177.5	-21.2	0	0	112.5	N7 G11	N7-Q9 PolarHBondContact O-N 3.21Å; N7-Q9 VanDerWaalsContact O-N 3.14Å; N7-Q9 VanDerWaalsContact OD1-CB 3.31Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.35Å; N7-Q9 PolarHBondContact OD1-N 2.72Å; Q9-G11 PolarHBondContact O-N 3Å
10	S	51.5	Low	52.7	Low	51 Å²	51	107.9 Å²	107.9	36%	0.357	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.5	68.6	-173.9	62.5	0	0	0	0	112.2	N7 I12	N7-S10 WeakPolarHBondContact CB-OG 3.21Å; N7-S10 PolarHBondContact O-N 3.23Å; N7-S10 VanDerWaalsContact O-N 3.13Å; N7-S10 PolarHBondContact O-OG 3.36Å; S10-I12 VanDerWaalsContact O-CG1 3.29Å; S10-I12 WeakPolarHBondContact O-CG1 3.12Å; S10-I12 PolarHBondContact O-N 2.98Å
11	G	54.3	Low	53.1	Low	53 Å²	53	107 Å²	107	55%	0.546	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	59.6	4.3	170.2	0	0	0	0	0	116.7	Q9	Q9-G11 PolarHBondContact O-N 3Å
12	I	55.9	Low	53.9	Low	23 Å²	23	102.9 Å²	102.9	12%	0.118	58%	0.58	C	S	.	*			trans	-88.5	124	-176.7	-66.3	161.2	0	0	0	108.9	V6 N7 S10 Q90	V6-I12 HydrophobicContact CG1-CB 4.17Å; V6-I12 HydrophobicContact CG1-CD1 3.52Å; V6-I12 HydrophobicContact CG1-CG1 4.31Å; V6-I12 HydrophobicContact CG1-CG2 3.46Å; V6-I12 VanDerWaalsContact CG1-CG2 3.46Å; N7-I12 WeakPolarHBondContact O-CD1 3.42Å; S10-I12 VanDerWaalsContact O-CG1 3.29Å; S10-I12 WeakPolarHBondContact O-CG1 3.12Å; S10-I12 PolarHBondContact O-N 2.98Å; I12-Q90 HydrophobicContact CD1-CB 4.48Å; I12-Q90 HydrophobicContact CD1-CG 3.77Å; I12-Q90 VanDerWaalsContact CD1-NE2 3.26Å; I12-Q90 HydrophobicContact CG1-CB 3.95Å; I12-Q90 HydrophobicContact CG1-CG 3.7Å
13	R	52.5	Low	54.8	Low	194 Å²	194	103.2 Å²	103.2	73%	0.732	58%	0.581	S	S	*	*			trans	-117	135.9	171	-64.9	-175.2	-176.5	-94.3	0.7	108.9	V93	R13-V93 HydrophobicContact CB-CB 4.48Å; R13-V93 HydrophobicContact CB-CG1 3.94Å
14	V	52.8	Low	55.6	Low	119 Å²	119	102 Å²	102	72%	0.721	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-84.5	133.4	176.6	-177.8	0	0	0	0	108.5	L8	L8-V14 HydrophobicContact CD2-CG2 4.25Å
15	I	57.6	Low	56.2	Low	92 Å²	92	99.5 Å²	99.5	47%	0.472	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-98.8	132.9	170.8	-56.1	174.8	0	0	0	107.5	V93 L102	I15-V93 HydrophobicContact CD1-CG2 3.79Å; I15-V93 HydrophobicContact CG1-CG2 4.21Å; I15-L102 HydrophobicContact CD1-CD2 3.44Å; I15-L102 VanDerWaalsContact CD1-CD2 3.44Å
16	S	56.4	Low	57	Low	108 Å²	108	96.3 Å²	96.3	76%	0.755	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-70.2	147.3	176.1	-57.6	0	0	0	0	110.9
17	L	64.6	Low	57.8	Low	138 Å²	138	97 Å²	97	72%	0.723	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-60.7	141.7	165.9	-69.5	171.5	0	0	0	109.4
18	P	60	Low	58.6	Low	98 Å²	98	94.4 Å²	94.4	64%	0.636	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-63.6	141.6	177	27.2	-33.5	0	0	0	110.1	D22	P18-D22 HydrophobicContact CB-CB 3.91Å
19	Q	53.9	Low	59.3	Low	136 Å²	136	93 Å²	93	64%	0.636	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-75	163.2	163.3	-59.3	-169.3	-1	0	0	109.6	S21 D22	Q19-S21 PolarHBondContact O-N 2.81Å; Q19-S21 VanDerWaalsContact O-N 3.11Å; Q19-D22 WeakPolarHBondContact CB-OD2 3.22Å; Q19-D22 PolarHBondContact N-OD2 3.11Å; Q19-D22 WeakPolarHBondContact O-CB 3.41Å; Q19-D22 PolarHBondContact O-N 3.49Å
20	A	54.5	Low	59.9	Low	92 Å²	92	84.4 Å²	84.4	76%	0.76	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-57.3	-27.6	175.9	0	0	0	0	0	112.6	D22 I23	A20-D22 VanDerWaalsContact C-N 3.28Å; A20-D22 PolarHBondContact O-N 2.86Å; A20-I23 WeakPolarHBondContact O-CD1 3.48Å; A20-I23 WeakPolarHBondContact O-CG1 3.36Å
21	S	61.3	Low	60.5	Low	91 Å²	91	82.2 Å²	82.2	64%	0.636	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-72	-17.5	173.7	52.3	0	0	0	0	114.4	Q19 I23	Q19-S21 PolarHBondContact O-N 2.81Å; Q19-S21 VanDerWaalsContact O-N 3.11Å; S21-I23 VanDerWaalsContact C-N 3.32Å
22	D	57.7	Low	61.3	Low	87 Å²	87	80.3 Å²	80.3	47%	0.465	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-93.3	8	-172.3	-55.5	-25.8	0	0	0	112.3	P18 Q19 A20 P24	P18-D22 HydrophobicContact CB-CB 3.91Å; Q19-D22 WeakPolarHBondContact CB-OD2 3.22Å; Q19-D22 PolarHBondContact N-OD2 3.11Å; Q19-D22 WeakPolarHBondContact O-CB 3.41Å; Q19-D22 PolarHBondContact O-N 3.49Å; A20-D22 VanDerWaalsContact C-N 3.28Å; A20-D22 PolarHBondContact O-N 2.86Å; D22-P24 VanDerWaalsContact O-CD 3.3Å; D22-P24 WeakPolarHBondContact O-CD 3.44Å
23	I	62.8	Low	61.9	Low	123 Å²	123	79.5 Å²	79.5	63%	0.631	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-64.1	117	176.2	-62	172.9	0	0	0	108	A20 S21 T25	A20-I23 WeakPolarHBondContact O-CD1 3.48Å; A20-I23 WeakPolarHBondContact O-CG1 3.36Å; S21-I23 VanDerWaalsContact C-N 3.32Å; I23-T25 PolarHBondContact O-N 2.81Å
24	P	64.5	Low	63	Low	46 Å²	46	70.8 Å²	70.8	30%	0.299	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-64.4	132.6	-176.8	24.6	-32.2	0	0	0	110.3	D22 T28 V30 V59 P101	D22-P24 VanDerWaalsContact O-CD 3.3Å; D22-P24 WeakPolarHBondContact O-CD 3.44Å; P24-T28 HydrophobicContact CB-CG2 3.68Å; P24-V30 HydrophobicContact CB-CG1 4.37Å; P24-V30 HydrophobicContact CG-CG1 4.39Å; P24-V59 HydrophobicContact CB-CG2 4.05Å; P24-V59 HydrophobicContact CG-CG2 3.97Å; P24-P101 HydrophobicContact CB-CG 4.42Å
25	T	63.5	Low	64.1	Low	96 Å²	96	69.3 Å²	69.3	59%	0.589	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-72	154.2	177.3	54.8	0	0	0	0	110.4	I23 G27 T28	I23-T25 PolarHBondContact O-N 2.81Å; T25-G27 PolarHBondContact O-N 2.87Å; T25-T28 PolarHBondContact N-OG1 3.3Å; T25-T28 WeakPolarHBondContact O-CB 3.48Å; T25-T28 PolarHBondContact O-N 2.86Å; T25-T28 PolarHBondContact O-OG1 3.04Å; T25-T28 PolarHBondContact OG1-OG1 2.92Å
26	P	67.6	Low	64.9	Low	65 Å²	65	65.5 Å²	65.5	42%	0.422	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	132.7	169.4	-28.7	38.4	0	0	0	111.8	V59 K61	P26-V59 CarbonylContact C-O 3.6Å; P26-V59 WeakPolarHBondContact CA-O 3.3Å; P26-K61 HydrophobicContact CB-CB 4.19Å; P26-K61 HydrophobicContact CB-CG 3.45Å; P26-K61 VanDerWaalsContact CB-CG 3.45Å; P26-K61 HydrophobicContact CG-CB 4.23Å; P26-K61 HydrophobicContact CG-CG 3.74Å
27	G	66.6	Low	66	Low	55 Å²	55	66.7 Å²	66.7	57%	0.567	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-8.3	-169.9	0	0	0	0	0	114	T25 V59	T25-G27 PolarHBondContact O-N 2.87Å; G27-V59 PolarHBondContact N-O 2.78Å
28	T	66	Low	66.5	Low	36 Å²	36	62.2 Å²	62.2	22%	0.221	37%	0.366	C	S	.	.			trans	-74.3	127.8	179.2	-60.2	0	0	0	0	111.3	P24 T25 V30 V59 P101	P24-T28 HydrophobicContact CB-CG2 3.68Å; T25-T28 PolarHBondContact N-OG1 3.3Å; T25-T28 WeakPolarHBondContact O-CB 3.48Å; T25-T28 PolarHBondContact O-N 2.86Å; T25-T28 PolarHBondContact O-OG1 3.04Å; T25-T28 PolarHBondContact OG1-OG1 2.92Å; T28-V30 HydrophobicContact CG2-CG1 4.31Å; T28-V59 WeakPolarHBondContact O-CG2 3.42Å; T28-V59 PolarHBondContact O-N 3.3Å; T28-P101 HydrophobicContact CG2-CG 4.42Å
29	D	67.4	Low	67.4	Low	67 Å²	67	60.8 Å²	60.8	36%	0.358	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.4	170.2	-65.4	-32.1	0	0	0	110.8	L57 R100	D29-L57 CarbonylContact C-O 3.48Å; D29-L57 WeakPolarHBondContact CA-O 3.44Å; D29-R100 IonicContact OD2-CZ 3.36Å; D29-R100 IonicContact OD2-NE 3.5Å; D29-R100 IonicContact OD2-NH1 3.87Å; D29-R100 IonicContact OD2-NH2 3.01Å; D29-R100 PolarHBondContact OD2-NH2 2.83Å
30	V	66.3	Low	68.7	Low	2 Å²	2	60 Å²	60	1%	0.012	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	156.6	175	-58.6	0	0	0	0	110.2	P24 T28 L57 V59 P101 I103	P24-V30 HydrophobicContact CB-CG1 4.37Å; P24-V30 HydrophobicContact CG-CG1 4.39Å; T28-V30 HydrophobicContact CG2-CG1 4.31Å; V30-L57 HydrophobicContact CG2-CB 3.87Å; V30-L57 PolarHBondContact N-O 3.2Å; V30-L57 PolarHBondContact O-N 2.95Å; V30-V59 HydrophobicContact CG1-CG2 3.66Å; V30-V59 HydrophobicContact CG2-CG2 4.13Å; V30-P101 HydrophobicContact CB-CB 4.45Å; V30-P101 HydrophobicContact CG1-CB 3.86Å; V30-P101 HydrophobicContact CG1-CG 3.86Å; V30-I103 HydrophobicContact CG2-CD1 3.99Å
31	F	65.4	Low	69.9	Low	6 Å²	6	56.9 Å²	56.9	3%	0.026	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.1	169.2	-59.3	-53.6	0	0	0	110.6	K54 G55 E56 S98 R100 P101 L102 I103	F31-K54 HydrophobicContact CD1-CD 4.39Å; F31-K54 VanDerWaalsContact CG-CE 3.49Å; F31-K54 VanDerWaalsContact CZ-NZ 3.33Å; F31-G55 WeakPolarHBondContact CA-O 3.29Å; F31-E56 HydrophobicContact CD1-CB 4.15Å; F31-E56 HydrophobicContact CD1-CG 3.76Å; F31-E56 HydrophobicContact CE1-CB 4.19Å; F31-E56 HydrophobicContact CE1-CG 3.64Å; F31-E56 WeakPolarHBondContact CE1-OE1 3.43Å; F31-S98 VanDerWaalsContact CE2-CB 3.46Å; F31-S98 WeakPolarHBondContact CE2-OG 3.49Å; F31-R100 HydrophobicContact CD2-CB 3.91Å; F31-R100 HydrophobicContact CE2-CB 3.6Å; F31-R100 HydrophobicContact CE2-CG 4.06Å; F31-R100 HydrophobicContact CZ-CB 4.28Å; F31-R100 HydrophobicContact CZ-CG 4.31Å; F31-P101 PolarHBondContact N-O 3.45Å; F31-L102 HydrophobicContact CB-CD1 3.94Å; F31-I103 PolarHBondContact O-N 3.04Å
32	I	70.8	Confident	70.9	Confident	13 Å²	13	64.3 Å²	64.3	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.7	162.2	-171	162.5	0	0	0	109.5	K54 G55 L57 I78 I103 W105	I32-K54 CarbonylContact O-C 3.41Å; I32-K54 WeakPolarHBondContact O-CA 3.44Å; I32-G55 PolarHBondContact N-O 3.16Å; I32-G55 PolarHBondContact O-N 3.34Å; I32-L57 HydrophobicContact CB-CD1 3.69Å; I32-L57 HydrophobicContact CD1-CD1 4.47Å; I32-L57 HydrophobicContact CG2-CD1 3.51Å; I32-L57 HydrophobicContact CG2-CD2 4.47Å; I32-L57 HydrophobicContact CG2-CG 3.95Å; I32-I78 HydrophobicContact CD1-CD1 3.37Å; I32-I103 VanDerWaalsContact CA-O 3.3Å; I32-I103 WeakPolarHBondContact CA-O 3.36Å; I32-I103 HydrophobicContact CD1-CG2 4.47Å; I32-I103 HydrophobicContact CG1-CG2 4.49Å; I32-W105 HydrophobicContact CD1-CB 4.1Å; I32-W105 HydrophobicContact CG1-CB 4.41Å
33	V	68	Low	72.2	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.1	177	-69	0	0	0	0	111.9	K53 K54 L92 L96 L102 I103 V104 W105	V33-K53 VanDerWaalsContact CA-O 3.22Å; V33-K53 WeakPolarHBondContact CA-O 3.36Å; V33-K54 HydrophobicContact CG1-CB 4.16Å; V33-K54 HydrophobicContact CG1-CG 4.11Å; V33-L92 HydrophobicContact CB-CD1 3.17Å; V33-L92 HydrophobicContact CB-CD2 3.7Å; V33-L92 HydrophobicContact CB-CG 3.92Å; V33-L92 HydrophobicContact CG1-CD1 3.41Å; V33-L92 VanDerWaalsContact CG1-CD1 3.41Å; V33-L92 HydrophobicContact CG1-CD2 3.63Å; V33-L92 HydrophobicContact CG1-CG 3.79Å; V33-L92 HydrophobicContact CG2-CD1 3.44Å; V33-L92 VanDerWaalsContact CG2-CD1 3.44Å; V33-L92 HydrophobicContact CG2-CD2 3.12Å; V33-L92 HydrophobicContact CG2-CG 3.84Å; V33-L96 HydrophobicContact CG1-CD1 4.31Å; V33-L102 HydrophobicContact CG1-CD1 3.94Å; V33-L102 HydrophobicContact CG2-CD1 3.95Å; V33-L102 HydrophobicContact CG2-CD2 4.43Å; V33-L102 HydrophobicContact CG2-CG 4.21Å; V33-I103 WeakPolarHBondContact CG2-O 3.37Å; V33-I103 PolarHBondContact N-O 2.79Å; V33-V104 HydrophobicContact CG2-CB 4.36Å; V33-V104 HydrophobicContact CG2-CG1 4.39Å; V33-V104 HydrophobicContact CG2-CG2 3.95Å; V33-W105 PolarHBondContact O-N 2.88Å
34	G	75.2	Confident	73.1	Confident	11 Å²	11	61.1 Å²	61.1	11%	0.113	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.2	176.7	175.9	0	0	0	0	0	112.3	G36 K53	G34-G36 VanDerWaalsContact C-N 3.33Å; G34-K53 PolarHBondContact N-O 3.1Å; G34-K53 PolarHBondContact O-N 3.48Å
35	Y	77	Confident	73.9	Confident	87 Å²	87	63.2 Å²	63.2	34%	0.341	34%	0.342	S	S	.	.			trans	-100.4	25.9	175.3	-66.5	-87	0	0	0	111.8	G49 I51 L52	Y35-G49 WeakPolarHBondContact O-CA 3.29Å; Y35-I51 WeakPolarHBondContact CD1-O 3.48Å; Y35-L52 HydrophobicContact CD1-CB 4.31Å; Y35-L52 HydrophobicContact CD2-CD1 4.17Å; Y35-L52 HydrophobicContact CE1-CB 3.64Å; Y35-L52 HydrophobicContact CE1-CD1 4.28Å; Y35-L52 HydrophobicContact CE2-CD1 3.69Å
36	G	73.2	Confident	74.4	Confident	12 Å²	12	63.4 Å²	63.4	12%	0.124	33%	0.332	C	S	.	.			trans	-53.4	157.9	-176.3	0	0	0	0	0	113.9	G34 D38 K53	G34-G36 VanDerWaalsContact C-N 3.33Å; G36-D38 PolarHBondContact O-N 3.35Å; G36-K53 PolarHBondContact O-NZ 3.23Å
37	R	78.8	Confident	74.9	Confident	134 Å²	134	65 Å²	65	51%	0.506	33%	0.33	S	S	.	.			trans	-58.5	135	174.3	-173.7	-179.1	174	153.3	0.8	110.3	D39 R47	R37-D39 IonicContact CZ-OD1 3.24Å; R37-D39 VanDerWaalsContact CZ-OD1 3.24Å; R37-D39 IonicContact CZ-OD2 3.93Å; R37-D39 IonicContact NE-OD1 2.75Å; R37-D39 PolarHBondContact NE-OD1 3.42Å; R37-D39 IonicContact NE-OD2 3.53Å; R37-D39 IonicContact NH2-OD1 2.85Å; R37-D39 PolarHBondContact NH2-OD1 3.04Å; R37-D39 IonicContact NH2-OD2 3.69Å; R37-R47 CarbonylContact C-O 3.55Å; R37-R47 WeakPolarHBondContact CA-O 3.47Å; R37-R47 WeakPolarHBondContact CG-O 3.03Å
38	D	75.7	Confident	75.2	Confident	43 Å²	43	66.8 Å²	66.8	23%	0.23	34%	0.339	C	S	.	.			trans	-133.5	98.7	172.8	-179.5	3.9	0	0	0	109.4	G36 N40 D41 R47 K53	G36-D38 PolarHBondContact O-N 3.35Å; D38-N40 PolarHBondContact O-N 2.78Å; D38-N40 WeakPolarHBondContact OD1-CA 3.31Å; D38-N40 WeakPolarHBondContact OD1-CB 3.22Å; D38-N40 PolarHBondContact OD1-N 3.49Å; D38-D41 HydrophobicContact CB-CB 4.4Å; D38-D41 WeakPolarHBondContact O-CB 3.38Å; D38-D41 PolarHBondContact O-N 3.23Å; D38-D41 VanDerWaalsContact O-N 3.16Å; D38-D41 PolarHBondContact OD1-N 2.74Å; D38-R47 PolarHBondContact N-O 3.16Å; D38-R47 WeakPolarHBondContact O-CA 3.3Å; D38-R47 WeakPolarHBondContact O-CB 3.49Å; D38-R47 VanDerWaalsContact O-CG 3.27Å; D38-R47 WeakPolarHBondContact O-CG 3.39Å; D38-K53 HydrophobicContact CB-CD 4.11Å
39	D	80	Confident	75.3	Confident	68 Å²	68	65.9 Å²	65.9	36%	0.364	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.1	179.6	-73.3	-33	0	0	0	112.7	R37 R47 R111	R37-D39 IonicContact CZ-OD1 3.24Å; R37-D39 VanDerWaalsContact CZ-OD1 3.24Å; R37-D39 IonicContact CZ-OD2 3.93Å; R37-D39 IonicContact NE-OD1 2.75Å; R37-D39 PolarHBondContact NE-OD1 3.42Å; R37-D39 IonicContact NE-OD2 3.53Å; R37-D39 IonicContact NH2-OD1 2.85Å; R37-D39 PolarHBondContact NH2-OD1 3.04Å; R37-D39 IonicContact NH2-OD2 3.69Å; D39-R47 PolarHBondContact O-NE 2.81Å; D39-R111 IonicContact OD2-NH2 3.42Å; D39-R111 PolarHBondContact OD2-NH2 3.1Å
40	N	80.3	Confident	75.4	Confident	120 Å²	120	65.5 Å²	65.5	64%	0.642	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.6	177.2	-58.8	-54.5	0	0	0	113.1	D38 R42	D38-N40 PolarHBondContact O-N 2.78Å; D38-N40 WeakPolarHBondContact OD1-CA 3.31Å; D38-N40 WeakPolarHBondContact OD1-CB 3.22Å; D38-N40 PolarHBondContact OD1-N 3.49Å; N40-R42 PolarHBondContact O-N 3.38Å
41	D	79.3	Confident	75.6	Confident	27 Å²	27	68.8 Å²	68.8	14%	0.144	37%	0.366	C	S	.	.			trans	-61.3	132.7	175.5	-157.3	-48.4	0	0	0	109.6	D38 D43 R46 R47	D38-D41 HydrophobicContact CB-CB 4.4Å; D38-D41 WeakPolarHBondContact O-CB 3.38Å; D38-D41 PolarHBondContact O-N 3.23Å; D38-D41 VanDerWaalsContact O-N 3.16Å; D38-D41 PolarHBondContact OD1-N 2.74Å; D41-D43 PolarHBondContact O-N 3.13Å; D41-D43 PolarHBondContact OD1-N 2.97Å; D41-R46 HydrophobicContact CB-CB 4.39Å; D41-R46 VanDerWaalsContact OD2-CB 3.29Å; D41-R46 WeakPolarHBondContact OD2-CB 3.47Å; D41-R47 HydrophobicContact CB-CG 3.98Å; D41-R47 PolarHBondContact O-NE 2.89Å; D41-R47 PolarHBondContact O-NH2 2.91Å
42	R	83.6	Confident	76	Confident	246 Å²	246	70.4 Å²	70.4	93%	0.928	37%	0.374	S	S	*	.	S	Bend	trans	-66.6	-28.8	179.6	-69.7	-175.5	178.7	176.8	-0.1	111.4	N40 P44	N40-R42 PolarHBondContact O-N 3.38Å; R42-P44 WeakPolarHBondContact O-CD 3.4Å
43	D	83.2	Confident	76	Confident	52 Å²	52	72 Å²	72	28%	0.278	38%	0.381	S	S	.	.	S	Bend	trans	-95.7	111	175	-177.7	-11.7	0	0	0	109.2	D41 S45 R46	D41-D43 PolarHBondContact O-N 3.13Å; D41-D43 PolarHBondContact OD1-N 2.97Å; D43-S45 PolarHBondContact O-N 3.11Å; D43-S45 VanDerWaalsContact O-N 3.1Å; D43-S45 WeakPolarHBondContact OD1-CB 3.46Å; D43-S45 PolarHBondContact OD1-N 3.18Å; D43-S45 PolarHBondContact OD1-OG 2.88Å; D43-S45 PolarHBondContact OD2-OG 3.45Å; D43-R46 HydrophobicContact CB-CB 4.44Å; D43-R46 HydrophobicContact CB-CG 3.94Å; D43-R46 PolarHBondContact O-N 3.14Å; D43-R46 IonicContact OD2-CZ 3.84Å; D43-R46 IonicContact OD2-NE 3.43Å; D43-R46 PolarHBondContact OD2-NE 3.3Å; D43-R46 IonicContact OD2-NH2 2.81Å
44	P	82.9	Confident	76.3	Confident	92 Å²	92	76.3 Å²	76.3	60%	0.597	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30	-179.5	-26.3	35.5	0	0	0	113.7	R42 R46 R47	R42-P44 WeakPolarHBondContact O-CD 3.4Å; P44-R46 PolarHBondContact O-N 3.02Å; P44-R47 PolarHBondContact O-N 2.95Å
45	S	80.7	Confident	76	Confident	89 Å²	89	76.6 Å²	76.6	62%	0.622	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-68.2	-19.7	-179.5	71.1	0	0	0	0	113.3	D43	D43-S45 PolarHBondContact O-N 3.11Å; D43-S45 VanDerWaalsContact O-N 3.1Å; D43-S45 WeakPolarHBondContact OD1-CB 3.46Å; D43-S45 PolarHBondContact OD1-N 3.18Å; D43-S45 PolarHBondContact OD1-OG 2.88Å; D43-S45 PolarHBondContact OD2-OG 3.45Å
46	R	75.1	Confident	75.8	Confident	100 Å²	100	78.1 Å²	78.1	38%	0.377	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-97.5	-8.8	-178.1	-58	177.8	-168.3	-172.3	-4.5	113.4	D41 D43 P44 A48 G49 I51	D41-R46 HydrophobicContact CB-CB 4.39Å; D41-R46 VanDerWaalsContact OD2-CB 3.29Å; D41-R46 WeakPolarHBondContact OD2-CB 3.47Å; D43-R46 HydrophobicContact CB-CB 4.44Å; D43-R46 HydrophobicContact CB-CG 3.94Å; D43-R46 PolarHBondContact O-N 3.14Å; D43-R46 IonicContact OD2-CZ 3.84Å; D43-R46 IonicContact OD2-NE 3.43Å; D43-R46 PolarHBondContact OD2-NE 3.3Å; D43-R46 IonicContact OD2-NH2 2.81Å; P44-R46 PolarHBondContact O-N 3.02Å; R46-A48 VanDerWaalsContact C-N 3.29Å; R46-A48 PolarHBondContact O-N 3.02Å; R46-G49 CarbonylContact O-C 3.53Å; R46-G49 PolarHBondContact O-N 3.02Å; R46-G49 VanDerWaalsContact O-N 3.1Å; R46-I51 VanDerWaalsContact CD-CD1 3.45Å; R46-I51 HydrophobicContact CG-CD1 4.38Å; R46-I51 HydrophobicContact CG-CG1 4.31Å; R46-I51 VanDerWaalsContact CZ-CD1 3.43Å
47	R	78.1	Confident	75.1	Confident	100 Å²	100	78.3 Å²	78.3	38%	0.377	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-38.3	-176.8	-66	-173.1	174.9	178	-3.7	111.7	R37 D38 D39 D41 P44 G49	R37-R47 CarbonylContact C-O 3.55Å; R37-R47 WeakPolarHBondContact CA-O 3.47Å; R37-R47 WeakPolarHBondContact CG-O 3.03Å; D38-R47 PolarHBondContact N-O 3.16Å; D38-R47 WeakPolarHBondContact O-CA 3.3Å; D38-R47 WeakPolarHBondContact O-CB 3.49Å; D38-R47 VanDerWaalsContact O-CG 3.27Å; D38-R47 WeakPolarHBondContact O-CG 3.39Å; D39-R47 PolarHBondContact O-NE 2.81Å; D41-R47 HydrophobicContact CB-CG 3.98Å; D41-R47 PolarHBondContact O-NE 2.89Å; D41-R47 PolarHBondContact O-NH2 2.91Å; P44-R47 PolarHBondContact O-N 2.95Å; R47-G49 PolarHBondContact O-N 3.01Å
48	A	72.7	Confident	74.1	Confident	92 Å²	92	75 Å²	75	76%	0.76	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	12.1	178.4	0	0	0	0	0	114	R46	R46-A48 VanDerWaalsContact C-N 3.29Å; R46-A48 PolarHBondContact O-N 3.02Å
49	G	67.2	Low	73.4	Confident	16 Å²	16	73.6 Å²	73.6	17%	0.165	40%	0.398	C	S	.	.	S	Bend	trans	95.7	162.6	-164.6	0	0	0	0	0	111.1	Y35 R46 R47	Y35-G49 WeakPolarHBondContact O-CA 3.29Å; R46-G49 CarbonylContact O-C 3.53Å; R46-G49 PolarHBondContact O-N 3.02Å; R46-G49 VanDerWaalsContact O-N 3.1Å; R47-G49 PolarHBondContact O-N 3.01Å
50	G	69	Low	72	Confident	60 Å²	60	73.9 Å²	73.9	62%	0.619	40%	0.4	S	S	*	.			trans	138.2	-19.8	-176.9	0	0	0	0	0	113.8
51	I	71.6	Confident	70.3	Confident	70 Å²	70	76.1 Å²	76.1	36%	0.359	40%	0.404	S	S	.	.	S	Bend	trans	-125.8	141.2	166.8	-63.6	-165.5	0	0	0	109.6	Y35 R46 K53	Y35-I51 WeakPolarHBondContact CD1-O 3.48Å; R46-I51 VanDerWaalsContact CD-CD1 3.45Å; R46-I51 HydrophobicContact CG-CD1 4.38Å; R46-I51 HydrophobicContact CG-CG1 4.31Å; R46-I51 VanDerWaalsContact CZ-CD1 3.43Å; I51-K53 PolarHBondContact O-N 2.94Å
52	L	72.8	Confident	68.8	Low	40 Å²	40	81.7 Å²	81.7	21%	0.209	43%	0.428	C	S	.	.			trans	-70	123.3	175.3	-178.4	71.8	0	0	0	110.6	Y35 L91 L92	Y35-L52 HydrophobicContact CD1-CB 4.31Å; Y35-L52 HydrophobicContact CD2-CD1 4.17Å; Y35-L52 HydrophobicContact CE1-CB 3.64Å; Y35-L52 HydrophobicContact CE1-CD1 4.28Å; Y35-L52 HydrophobicContact CE2-CD1 3.69Å; L52-L91 HydrophobicContact CB-CD2 4.05Å; L52-L91 HydrophobicContact CD2-CB 3.94Å; L52-L91 HydrophobicContact CD2-CD2 4.13Å; L52-L91 HydrophobicContact CD2-CG 4.29Å; L52-L92 HydrophobicContact CD1-CD1 3.16Å; L52-L92 HydrophobicContact CD2-CB 4.17Å; L52-L92 HydrophobicContact CD2-CD1 3.21Å; L52-L92 HydrophobicContact CD2-CG 4.07Å; L52-L92 HydrophobicContact CG-CD1 3.45Å; L52-L92 VanDerWaalsContact CG-CD1 3.45Å
53	K	71.7	Confident	66.3	Low	48 Å²	48	77.6 Å²	77.6	21%	0.209	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.9	179.5	-65.5	164.3	-172.4	149.4	0	110.1	V33 G34 G36 D38 I51	V33-K53 VanDerWaalsContact CA-O 3.22Å; V33-K53 WeakPolarHBondContact CA-O 3.36Å; G34-K53 PolarHBondContact N-O 3.1Å; G34-K53 PolarHBondContact O-N 3.48Å; G36-K53 PolarHBondContact O-NZ 3.23Å; D38-K53 HydrophobicContact CB-CD 4.11Å; I51-K53 PolarHBondContact O-N 2.94Å
54	K	74.8	Confident	63.6	Low	96 Å²	96	82.5 Å²	82.5	42%	0.417	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.4	175.1	-176.7	-152.7	179.4	-165.7	0	108.7	F31 I32 V33 E56 L96	F31-K54 HydrophobicContact CD1-CD 4.39Å; F31-K54 VanDerWaalsContact CG-CE 3.49Å; F31-K54 VanDerWaalsContact CZ-NZ 3.33Å; I32-K54 CarbonylContact O-C 3.41Å; I32-K54 WeakPolarHBondContact O-CA 3.44Å; V33-K54 HydrophobicContact CG1-CB 4.16Å; V33-K54 HydrophobicContact CG1-CG 4.11Å; K54-E56 IonicContact NZ-OE1 2.81Å; K54-E56 PolarHBondContact NZ-OE1 3.47Å; K54-L96 HydrophobicContact CD-CD2 3.61Å; K54-L96 HydrophobicContact CG-CD2 4.26Å
55	G	69.2	Low	61.1	Low	17 Å²	17	81.9 Å²	81.9	18%	0.175	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	147.4	167.4	0	0	0	0	0	110.5	F31 I32	F31-G55 WeakPolarHBondContact CA-O 3.29Å; I32-G55 PolarHBondContact N-O 3.16Å; I32-G55 PolarHBondContact O-N 3.34Å
56	E	70.9	Confident	58.7	Low	118 Å²	118	79.4 Å²	79.4	55%	0.551	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.4	170.3	-43	-156.9	158.5	0	0	108.4	F31 K54 R100	F31-E56 HydrophobicContact CD1-CB 4.15Å; F31-E56 HydrophobicContact CD1-CG 3.76Å; F31-E56 HydrophobicContact CE1-CB 4.19Å; F31-E56 HydrophobicContact CE1-CG 3.64Å; F31-E56 WeakPolarHBondContact CE1-OE1 3.43Å; K54-E56 IonicContact NZ-OE1 2.81Å; K54-E56 PolarHBondContact NZ-OE1 3.47Å; E56-R100 IonicContact OE2-NH1 3.41Å; E56-R100 PolarHBondContact OE2-NH1 3.29Å
57	L	59.2	Low	56.7	Low	16 Å²	16	76.6 Å²	76.6	8%	0.084	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.8	-172.9	-55	170.3	0	0	0	109.3	D29 V30 I32 I69	D29-L57 CarbonylContact C-O 3.48Å; D29-L57 WeakPolarHBondContact CA-O 3.44Å; V30-L57 HydrophobicContact CG2-CB 3.87Å; V30-L57 PolarHBondContact N-O 3.2Å; V30-L57 PolarHBondContact O-N 2.95Å; I32-L57 HydrophobicContact CB-CD1 3.69Å; I32-L57 HydrophobicContact CD1-CD1 4.47Å; I32-L57 HydrophobicContact CG2-CD1 3.51Å; I32-L57 HydrophobicContact CG2-CD2 4.47Å; I32-L57 HydrophobicContact CG2-CG 3.95Å; L57-I69 HydrophobicContact CB-CG2 4.35Å; L57-I69 HydrophobicContact CD1-CB 4.25Å; L57-I69 HydrophobicContact CD1-CD1 3.61Å; L57-I69 HydrophobicContact CD1-CG1 3.91Å; L57-I69 HydrophobicContact CD1-CG2 3.35Å; L57-I69 HydrophobicContact CD2-CG2 3.32Å; L57-I69 HydrophobicContact CG-CG2 3.82Å
58	V	57.6	Low	54.5	Low	65 Å²	65	76 Å²	76	39%	0.394	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.5	170.8	-173.3	0	0	0	0	108.1	N60	V58-N60 PolarHBondContact O-N 3.33Å
59	V	61.4	Low	52.8	Low	13 Å²	13	72.2 Å²	72.2	8%	0.079	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-65.2	121.4	173.6	175.6	0	0	0	0	108.2	P24 P26 G27 T28 V30	P24-V59 HydrophobicContact CB-CG2 4.05Å; P24-V59 HydrophobicContact CG-CG2 3.97Å; P26-V59 CarbonylContact C-O 3.6Å; P26-V59 WeakPolarHBondContact CA-O 3.3Å; G27-V59 PolarHBondContact N-O 2.78Å; T28-V59 WeakPolarHBondContact O-CG2 3.42Å; T28-V59 PolarHBondContact O-N 3.3Å; V30-V59 HydrophobicContact CG1-CG2 3.66Å; V30-V59 HydrophobicContact CG2-CG2 4.13Å
60	N	51.5	Low	51	Low	75 Å²	75	81.3 Å²	81.3	40%	0.401	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-92.5	162	175.7	-74.2	-44.8	0	0	0	111.2	V58 Q62 L68	V58-N60 PolarHBondContact O-N 3.33Å; N60-Q62 PolarHBondContact O-N 2.76Å; N60-L68 PolarHBondContact ND2-O 3.41Å
61	K	44.8	Very low	49.2	Very low	167 Å²	167	84.5 Å²	84.5	73%	0.726	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-56.4	130.7	176.9	-76.1	-173	177.5	-178.2	0	110.2	P26 H63	P26-K61 HydrophobicContact CB-CB 4.19Å; P26-K61 HydrophobicContact CB-CG 3.45Å; P26-K61 VanDerWaalsContact CB-CG 3.45Å; P26-K61 HydrophobicContact CG-CB 4.23Å; P26-K61 HydrophobicContact CG-CG 3.74Å; K61-H63 PolarHBondContact O-N 2.81Å
62	Q	46.7	Very low	47.1	Very low	143 Å²	143	89.6 Å²	89.6	67%	0.668	44%	0.441	S	S	*	.			trans	-59.7	104.5	171.4	-133.5	170.9	0.7	0	0	107.8	N60	N60-Q62 PolarHBondContact O-N 2.76Å
63	H	30.4	Very low	44.9	Very low	161 Å²	161	90.5 Å²	90.5	75%	0.745	45%	0.449	S	S	*	.	B	Isolated β-bridge	trans	-82.5	124.5	151.1	-90	-89.2	0	0	0	105.1	K61 S65 V66	K61-H63 PolarHBondContact O-N 2.81Å; H63-S65 PolarHBondContact O-N 3.03Å; H63-V66 PolarHBondContact O-N 3.47Å; H63-V66 VanDerWaalsContact O-N 3.1Å
64	D	27.3	Very low	42.8	Very low	154 Å²	154	98.8 Å²	98.8	82%	0.824	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-1.8	95.1	177.2	-61.9	-28.5	0	0	0	113.3
65	S	30.4	Very low	40.5	Very low	79 Å²	79	100.6 Å²	100.6	55%	0.552	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	7.3	170.8	-32.9	0	0	0	0	119.8	H63	H63-S65 PolarHBondContact O-N 3.03Å
66	V	29.8	Very low	38.5	Very low	38 Å²	38	103.5 Å²	103.5	23%	0.23	51%	0.513	C	S	.	.	B	Isolated β-bridge	trans	-140.6	119.9	-179.4	-172.7	0	0	0	0	113.9	H63 L68 V77	H63-V66 PolarHBondContact O-N 3.47Å; H63-V66 VanDerWaalsContact O-N 3.1Å; V66-L68 HydrophobicContact CG1-CD1 4.44Å; V66-L68 PolarHBondContact O-N 2.81Å; V66-V77 HydrophobicContact CG1-CG1 3.45Å; V66-V77 VanDerWaalsContact CG1-CG1 3.45Å
67	C	33.1	Very low	36.5	Very low	41 Å²	41	101.5 Å²	101.5	28%	0.277	51%	0.509	S	S	.	.			trans	-78.9	106.7	158.8	-92	0	0	0	0	108.6	I69	C67-I69 PolarHBondContact O-N 2.7Å
68	L	32	Very low	35.2	Very low	88 Å²	88	101.6 Å²	101.6	46%	0.461	51%	0.509	S	S	.	.			trans	-84.5	106.8	178.4	-149.5	112.3	0	0	0	109.8	N60 V66	N60-L68 PolarHBondContact ND2-O 3.41Å; V66-L68 HydrophobicContact CG1-CD1 4.44Å; V66-L68 PolarHBondContact O-N 2.81Å
69	I	37	Very low	33.9	Very low	12 Å²	12	100.2 Å²	100.2	6%	0.062	51%	0.505	C	S	.	.			trans	-93.7	115.1	171.6	-74.5	164.6	0	0	0	107.6	L57 C67 V76 I78 I103	L57-I69 HydrophobicContact CB-CG2 4.35Å; L57-I69 HydrophobicContact CD1-CB 4.25Å; L57-I69 HydrophobicContact CD1-CD1 3.61Å; L57-I69 HydrophobicContact CD1-CG1 3.91Å; L57-I69 HydrophobicContact CD1-CG2 3.35Å; L57-I69 HydrophobicContact CD2-CG2 3.32Å; L57-I69 HydrophobicContact CG-CG2 3.82Å; C67-I69 PolarHBondContact O-N 2.7Å; I69-V76 VanDerWaalsContact O-O 3.09Å; I69-I78 HydrophobicContact CB-CB 4.45Å; I69-I78 HydrophobicContact CB-CD1 4.23Å; I69-I78 HydrophobicContact CB-CG1 4.38Å; I69-I78 HydrophobicContact CD1-CB 3.83Å; I69-I78 HydrophobicContact CD1-CD1 4.03Å; I69-I78 HydrophobicContact CD1-CG1 4.37Å; I69-I78 HydrophobicContact CD1-CG2 4.09Å; I69-I78 HydrophobicContact CG2-CD1 4Å; I69-I103 HydrophobicContact CD1-CD1 4.4Å
70	R	28.9	Very low	32.4	Very low	206 Å²	206	103.7 Å²	103.7	78%	0.777	53%	0.525	S	S	*	.			trans	-94.1	109	-179.9	-172.1	174.6	171.5	-177.4	-3.5	109.6
71	W	31.2	Very low	31.4	Very low	128 Å²	128	101.7 Å²	101.7	49%	0.485	52%	0.516	S	S	.	.			trans	-76.3	140.2	164.5	-103	58.7	0	0	0	109.8	C73	W71-C73 PolarHBondContact O-N 2.91Å; W71-C73 VanDerWaalsContact O-N 3.11Å
72	L	28.9	Very low	30.6	Very low	177 Å²	177	99 Å²	99	93%	0.927	51%	0.509	S	S	*	.	S	Bend	trans	-74.6	12.9	173.1	-85.7	163.3	0	0	0	113.2
73	C	26.5	Very low	29.8	Very low	58 Å²	58	97.3 Å²	97.3	39%	0.392	51%	0.505	S	S	.	.	S	Bend	trans	-151.8	105.6	169.1	-149.7	0	0	0	0	106.7	W71	W71-C73 PolarHBondContact O-N 2.91Å; W71-C73 VanDerWaalsContact O-N 3.11Å
74	W	27.4	Very low	29.6	Very low	222 Å²	222	95.2 Å²	95.2	84%	0.841	51%	0.508	S	S	*	.	S	Bend	trans	72	137.4	174.2	-56.6	56.3	0	0	0	116	V76	W74-V76 PolarHBondContact O-N 2.95Å
75	T	26.7	Very low	29.6	Very low	135 Å²	135	92.5 Å²	92.5	83%	0.828	50%	0.497	S	S	*	.			trans	-79.3	104.7	-171.8	-49.8	0	0	0	0	110.7
76	V	27.7	Very low	29.4	Very low	78 Å²	78	94.7 Å²	94.7	47%	0.473	50%	0.496	S	S	.	.			trans	-115.2	119.4	170.5	179.8	0	0	0	0	109	I69 W74 I78	I69-V76 VanDerWaalsContact O-O 3.09Å; W74-V76 PolarHBondContact O-N 2.95Å; V76-I78 HydrophobicContact CG1-CG1 4.1Å
77	V	27.8	Very low	29.4	Very low	75 Å²	75	95.1 Å²	95.1	46%	0.455	50%	0.499	S	S	.	.			trans	-83.9	114.6	172.9	177.5	0	0	0	0	108.1	V66	V66-V77 HydrophobicContact CG1-CG1 3.45Å; V66-V77 VanDerWaalsContact CG1-CG1 3.45Å
78	I	31.8	Very low	29.3	Very low	19 Å²	19	98.4 Å²	98.4	10%	0.097	51%	0.514	C	S	.	.			trans	-98.5	104.3	179.1	-58.3	-176.3	0	0	0	108.4	I32 I69 V76	I32-I78 HydrophobicContact CD1-CD1 3.37Å; I69-I78 HydrophobicContact CB-CB 4.45Å; I69-I78 HydrophobicContact CB-CD1 4.23Å; I69-I78 HydrophobicContact CB-CG1 4.38Å; I69-I78 HydrophobicContact CD1-CB 3.83Å; I69-I78 HydrophobicContact CD1-CD1 4.03Å; I69-I78 HydrophobicContact CD1-CG1 4.37Å; I69-I78 HydrophobicContact CD1-CG2 4.09Å; I69-I78 HydrophobicContact CG2-CD1 4Å; V76-I78 HydrophobicContact CG1-CG1 4.1Å
79	A	29.7	Very low	29.2	Very low	36 Å²	36	97.6 Å²	97.6	30%	0.298	51%	0.509	S	S	.	.			trans	-82.7	127.2	162.8	0	0	0	0	0	108.4	V81 I126 L128	A79-V81 PolarHBondContact O-N 3.43Å; A79-I126 HydrophobicContact CB-CG2 4.31Å; A79-L128 HydrophobicContact CB-CD1 3.44Å; A79-L128 VanDerWaalsContact CB-CD1 3.44Å; A79-L128 HydrophobicContact CB-CG 4.31Å
80	V	31.7	Very low	28.9	Very low	85 Å²	85	100.8 Å²	100.8	52%	0.515	52%	0.524	S	S	.	.			trans	-71.1	115.6	171.8	179	0	0	0	0	107	I126	V80-I126 WeakPolarHBondContact O-CB 3.04Å; V80-I126 WeakPolarHBondContact O-CG2 3.09Å
81	V	30.4	Very low	29	Very low	34 Å²	34	95.5 Å²	95.5	21%	0.206	51%	0.511	C	S	.	.			trans	-116	126.7	179.1	-175.6	0	0	0	0	107.5	A79 L83 I126 L128	A79-V81 PolarHBondContact O-N 3.43Å; V81-L83 VanDerWaalsContact C-N 3.31Å; V81-L83 HydrophobicContact CB-CD1 3.97Å; V81-L83 HydrophobicContact CG1-CD1 3.63Å; V81-L83 HydrophobicContact CG1-CG 3.9Å; V81-L83 PolarHBondContact O-N 3.26Å; V81-I126 HydrophobicContact CG2-CG2 4.32Å; V81-L128 HydrophobicContact CG1-CB 4.31Å; V81-L128 HydrophobicContact CG2-CB 3.49Å; V81-L128 VanDerWaalsContact CG2-CB 3.49Å; V81-L128 HydrophobicContact CG2-CD1 3.52Å; V81-L128 HydrophobicContact CG2-CG 3.44Å; V81-L128 VanDerWaalsContact CG2-CG 3.44Å
82	D	26.8	Very low	29.1	Very low	109 Å²	109	89.7 Å²	89.7	58%	0.583	49%	0.489	S	S	*	.			trans	-65.3	92	165.7	-174.6	47	0	0	0	108.2
83	L	29.6	Very low	29.4	Very low	109 Å²	109	83 Å²	83	57%	0.571	46%	0.456	S	S	*	.			trans	-106.7	97.4	175.1	-97.7	143.6	0	0	0	109.1	V81 V85	V81-L83 VanDerWaalsContact C-N 3.31Å; V81-L83 HydrophobicContact CB-CD1 3.97Å; V81-L83 HydrophobicContact CG1-CD1 3.63Å; V81-L83 HydrophobicContact CG1-CG 3.9Å; V81-L83 PolarHBondContact O-N 3.26Å; L83-V85 HydrophobicContact CD2-CG2 3.69Å; L83-V85 PolarHBondContact O-N 3.05Å
84	S	25.9	Very low	29.6	Very low	116 Å²	116	84.3 Å²	84.3	81%	0.811	47%	0.465	S	S	*	.			trans	-58.7	73.2	154.6	-75.6	0	0	0	0	110.4
85	V	28.1	Very low	29.8	Very low	98 Å²	98	84 Å²	84	59%	0.594	46%	0.464	S	S	*	.			trans	-144.1	126.3	166.6	-172.6	0	0	0	0	108.2	L83 V87	L83-V85 HydrophobicContact CD2-CG2 3.69Å; L83-V85 PolarHBondContact O-N 3.05Å; V85-V87 PolarHBondContact O-N 3.42Å
86	K	26.2	Very low	30.2	Very low	124 Å²	124	79.2 Å²	79.2	54%	0.539	43%	0.433	S	S	.	.			trans	-63.7	104.4	-180	-81.8	173.5	170.1	177.6	0	111.1	M5	M5-K86 PolarHBondContact SD-NZ 3.34Å
87	V	30.1	Very low	30.3	Very low	47 Å²	47	81.7 Å²	81.7	29%	0.285	45%	0.454	S	S	.	.			trans	-103	131.2	164.3	-171.4	0	0	0	0	107.4	V85 L89 N106	V85-V87 PolarHBondContact O-N 3.42Å; V87-L89 VanDerWaalsContact C-N 3.27Å; V87-L89 PolarHBondContact O-N 2.85Å; V87-N106 HydrophobicContact CB-CB 4.5Å; V87-N106 HydrophobicContact CG1-CB 4.12Å; V87-N106 HydrophobicContact CG2-CB 3.67Å; V87-N106 WeakPolarHBondContact CG2-ND2 3.11Å
88	D	30.8	Very low	30.6	Very low	111 Å²	111	80.1 Å²	80.1	59%	0.594	45%	0.447	S	S	*	.			trans	-71.1	82.9	-176.4	-134.5	1.7	0	0	0	110.3	Q90	D88-Q90 HydrophobicContact CB-CG 4.36Å; D88-Q90 PolarHBondContact O-N 2.75Å; D88-Q90 WeakPolarHBondContact OD1-CG 3.27Å; D88-Q90 PolarHBondContact OD1-NE2 3.19Å; D88-Q90 PolarHBondContact OD2-NE2 2.62Å
89	L	30.5	Very low	30.8	Very low	70 Å²	70	85.7 Å²	85.7	37%	0.366	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-70.2	12.4	-179	-98	151.2	0	0	0	114.1	V87 L91 L92 L102 V104	V87-L89 VanDerWaalsContact C-N 3.27Å; V87-L89 PolarHBondContact O-N 2.85Å; L89-L91 VanDerWaalsContact C-N 3.28Å; L89-L91 PolarHBondContact O-N 3.03Å; L89-L91 VanDerWaalsContact O-N 3.16Å; L89-L92 HydrophobicContact CD2-CB 4.04Å; L89-L92 HydrophobicContact CD2-CD2 3.92Å; L89-L92 PolarHBondContact O-N 3.1Å; L89-L102 HydrophobicContact CD2-CD2 4.45Å; L89-V104 HydrophobicContact CD1-CB 4.38Å; L89-V104 HydrophobicContact CD1-CG1 4.08Å; L89-V104 HydrophobicContact CD1-CG2 3.92Å; L89-V104 HydrophobicContact CD2-CB 4.27Å; L89-V104 HydrophobicContact CD2-CG1 3.82Å; L89-V104 HydrophobicContact CD2-CG2 3.45Å; L89-V104 VanDerWaalsContact CD2-CG2 3.45Å; L89-V104 HydrophobicContact CG-CG1 4Å; L89-V104 HydrophobicContact CG-CG2 4.17Å
90	Q	30.6	Very low	31.3	Very low	79 Å²	79	88.2 Å²	88.2	37%	0.369	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-65.1	-24.2	-164.2	-49.8	-162.5	-2	0	0	114.6	I12 D88	I12-Q90 HydrophobicContact CD1-CB 4.48Å; I12-Q90 HydrophobicContact CD1-CG 3.77Å; I12-Q90 VanDerWaalsContact CD1-NE2 3.26Å; I12-Q90 HydrophobicContact CG1-CB 3.95Å; I12-Q90 HydrophobicContact CG1-CG 3.7Å; D88-Q90 HydrophobicContact CB-CG 4.36Å; D88-Q90 PolarHBondContact O-N 2.75Å; D88-Q90 WeakPolarHBondContact OD1-CG 3.27Å; D88-Q90 PolarHBondContact OD1-NE2 3.19Å; D88-Q90 PolarHBondContact OD2-NE2 2.62Å
91	L	31.2	Very low	31.8	Very low	95 Å²	95	86.7 Å²	86.7	50%	0.497	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-92.9	-7.8	-176.4	-152.5	79.2	0	0	0	113.5	L52 L89	L52-L91 HydrophobicContact CB-CD2 4.05Å; L52-L91 HydrophobicContact CD2-CB 3.94Å; L52-L91 HydrophobicContact CD2-CD2 4.13Å; L52-L91 HydrophobicContact CD2-CG 4.29Å; L89-L91 VanDerWaalsContact C-N 3.28Å; L89-L91 PolarHBondContact O-N 3.03Å; L89-L91 VanDerWaalsContact O-N 3.16Å
92	L	33.7	Very low	32.2	Very low	6 Å²	6	87.3 Å²	87.3	3%	0.031	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-43.6	-161.9	-152.9	98.1	0	0	0	115.4	V33 L52 L89 S94 L96 L102	V33-L92 HydrophobicContact CB-CD1 3.17Å; V33-L92 HydrophobicContact CB-CD2 3.7Å; V33-L92 HydrophobicContact CB-CG 3.92Å; V33-L92 HydrophobicContact CG1-CD1 3.41Å; V33-L92 VanDerWaalsContact CG1-CD1 3.41Å; V33-L92 HydrophobicContact CG1-CD2 3.63Å; V33-L92 HydrophobicContact CG1-CG 3.79Å; V33-L92 HydrophobicContact CG2-CD1 3.44Å; V33-L92 VanDerWaalsContact CG2-CD1 3.44Å; V33-L92 HydrophobicContact CG2-CD2 3.12Å; V33-L92 HydrophobicContact CG2-CG 3.84Å; L52-L92 HydrophobicContact CD1-CD1 3.16Å; L52-L92 HydrophobicContact CD2-CB 4.17Å; L52-L92 HydrophobicContact CD2-CD1 3.21Å; L52-L92 HydrophobicContact CD2-CG 4.07Å; L52-L92 HydrophobicContact CG-CD1 3.45Å; L52-L92 VanDerWaalsContact CG-CD1 3.45Å; L89-L92 HydrophobicContact CD2-CB 4.04Å; L89-L92 HydrophobicContact CD2-CD2 3.92Å; L89-L92 PolarHBondContact O-N 3.1Å; L92-S94 VanDerWaalsContact C-N 3.32Å; L92-S94 PolarHBondContact O-N 3.02Å; L92-L96 HydrophobicContact CD2-CD1 3.85Å; L92-L96 HydrophobicContact CG-CD1 3.99Å; L92-L96 WeakPolarHBondContact O-CD1 3.34Å; L92-L96 WeakPolarHBondContact O-CG 3.43Å; L92-L102 HydrophobicContact CD2-CD1 3.51Å; L92-L102 HydrophobicContact CD2-CD2 3.21Å; L92-L102 HydrophobicContact CD2-CG 3.84Å
93	V	34.5	Very low	33.1	Very low	38 Å²	38	83.9 Å²	83.9	23%	0.23	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-20.2	-169.3	-173.9	0	0	0	0	111.3	R13 I15 R95	R13-V93 HydrophobicContact CB-CB 4.48Å; R13-V93 HydrophobicContact CB-CG1 3.94Å; I15-V93 HydrophobicContact CD1-CG2 3.79Å; I15-V93 HydrophobicContact CG1-CG2 4.21Å; V93-R95 VanDerWaalsContact C-N 3.31Å; V93-R95 PolarHBondContact O-N 3.38Å
94	S	30.7	Very low	33.7	Very low	84 Å²	84	81.3 Å²	81.3	59%	0.587	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.9	177.6	60.4	0	0	0	0	114	L92	L92-S94 VanDerWaalsContact C-N 3.32Å; L92-S94 PolarHBondContact O-N 3.02Å
95	R	32.2	Very low	34.5	Very low	215 Å²	215	81.1 Å²	81.1	81%	0.811	43%	0.431	S	S	*	.	S	Bend	trans	-106.7	-3.3	179	-66.4	-165.9	176	-150.9	-0.2	114.4	V93	V93-R95 VanDerWaalsContact C-N 3.31Å; V93-R95 PolarHBondContact O-N 3.38Å
96	L	33.3	Very low	35	Very low	36 Å²	36	81.4 Å²	81.4	19%	0.188	43%	0.429	C	S	.	.			trans	-112.6	83.5	-176	-66.6	173.5	0	0	0	109.9	V33 K54 L92 S98 L102	V33-L96 HydrophobicContact CG1-CD1 4.31Å; K54-L96 HydrophobicContact CD-CD2 3.61Å; K54-L96 HydrophobicContact CG-CD2 4.26Å; L92-L96 HydrophobicContact CD2-CD1 3.85Å; L92-L96 HydrophobicContact CG-CD1 3.99Å; L92-L96 WeakPolarHBondContact O-CD1 3.34Å; L92-L96 WeakPolarHBondContact O-CG 3.43Å; L96-S98 PolarHBondContact O-N 3.35Å; L96-L102 HydrophobicContact CD1-CD1 3.66Å
97	S	31.4	Very low	35.7	Very low	129 Å²	129	76.7 Å²	76.7	90%	0.902	42%	0.416	S	S	*	.			trans	-77.9	47.8	170	63.9	0	0	0	0	111.6
98	S	34.2	Very low	35.8	Very low	43 Å²	43	83.8 Å²	83.8	30%	0.301	45%	0.448	S	S	.	.			trans	-128.3	134.3	-171.1	-174.7	0	0	0	0	111.9	F31 L96 R100	F31-S98 VanDerWaalsContact CE2-CB 3.46Å; F31-S98 WeakPolarHBondContact CE2-OG 3.49Å; L96-S98 PolarHBondContact O-N 3.35Å; S98-R100 PolarHBondContact O-N 3.1Å
99	P	35.5	Very low	36.2	Very low	135 Å²	135	82 Å²	82	88%	0.877	44%	0.444	S	S	*	.			trans	-74.5	17.8	179.6	32.6	-37.2	0	0	0	113.8
100	R	39	Very low	36.4	Very low	90 Å²	90	84 Å²	84	34%	0.34	46%	0.456	S	S	.	.	S	Bend	trans	-95.7	148.8	-171.7	-64.8	-176.4	-177.1	170.6	-8.3	111.2	D29 F31 E56 S98	D29-R100 IonicContact OD2-CZ 3.36Å; D29-R100 IonicContact OD2-NE 3.5Å; D29-R100 IonicContact OD2-NH1 3.87Å; D29-R100 IonicContact OD2-NH2 3.01Å; D29-R100 PolarHBondContact OD2-NH2 2.83Å; F31-R100 HydrophobicContact CD2-CB 3.91Å; F31-R100 HydrophobicContact CE2-CB 3.6Å; F31-R100 HydrophobicContact CE2-CG 4.06Å; F31-R100 HydrophobicContact CZ-CB 4.28Å; F31-R100 HydrophobicContact CZ-CG 4.31Å; E56-R100 IonicContact OE2-NH1 3.41Å; E56-R100 PolarHBondContact OE2-NH1 3.29Å; S98-R100 PolarHBondContact O-N 3.1Å
101	P	42.3	Very low	36.9	Very low	53 Å²	53	88.1 Å²	88.1	34%	0.344	47%	0.468	S	S	.	.			trans	-59.4	141.3	176.9	-17	28.9	0	0	0	111.3	P24 T28 V30 F31	P24-P101 HydrophobicContact CB-CG 4.42Å; T28-P101 HydrophobicContact CG2-CG 4.42Å; V30-P101 HydrophobicContact CB-CB 4.45Å; V30-P101 HydrophobicContact CG1-CB 3.86Å; V30-P101 HydrophobicContact CG1-CG 3.86Å; F31-P101 PolarHBondContact N-O 3.45Å
102	L	39.7	Very low	37	Very low	46 Å²	46	87.6 Å²	87.6	24%	0.241	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.9	-178.5	-174.3	79.2	0	0	0	110.1	I15 F31 V33 L89 L92 L96 V104	I15-L102 HydrophobicContact CD1-CD2 3.44Å; I15-L102 VanDerWaalsContact CD1-CD2 3.44Å; F31-L102 HydrophobicContact CB-CD1 3.94Å; V33-L102 HydrophobicContact CG1-CD1 3.94Å; V33-L102 HydrophobicContact CG2-CD1 3.95Å; V33-L102 HydrophobicContact CG2-CD2 4.43Å; V33-L102 HydrophobicContact CG2-CG 4.21Å; L89-L102 HydrophobicContact CD2-CD2 4.45Å; L92-L102 HydrophobicContact CD2-CD1 3.51Å; L92-L102 HydrophobicContact CD2-CD2 3.21Å; L92-L102 HydrophobicContact CD2-CG 3.84Å; L96-L102 HydrophobicContact CD1-CD1 3.66Å; L102-V104 HydrophobicContact CD2-CG2 3.85Å; L102-V104 HydrophobicContact CG-CG2 4.2Å
103	I	45.7	Very low	37.2	Very low	37 Å²	37	93.5 Å²	93.5	19%	0.19	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.7	171.9	-58.5	175.4	0	0	0	108	V30 F31 I32 V33 I69	V30-I103 HydrophobicContact CG2-CD1 3.99Å; F31-I103 PolarHBondContact O-N 3.04Å; I32-I103 VanDerWaalsContact CA-O 3.3Å; I32-I103 WeakPolarHBondContact CA-O 3.36Å; I32-I103 HydrophobicContact CD1-CG2 4.47Å; I32-I103 HydrophobicContact CG1-CG2 4.49Å; V33-I103 WeakPolarHBondContact CG2-O 3.37Å; V33-I103 PolarHBondContact N-O 2.79Å; I69-I103 HydrophobicContact CD1-CD1 4.4Å
104	V	43	Very low	37.2	Very low	56 Å²	56	100 Å²	100	34%	0.339	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.4	-179.7	-174	0	0	0	0	108.5	V33 L89 L102	V33-V104 HydrophobicContact CG2-CB 4.36Å; V33-V104 HydrophobicContact CG2-CG1 4.39Å; V33-V104 HydrophobicContact CG2-CG2 3.95Å; L89-V104 HydrophobicContact CD1-CB 4.38Å; L89-V104 HydrophobicContact CD1-CG1 4.08Å; L89-V104 HydrophobicContact CD1-CG2 3.92Å; L89-V104 HydrophobicContact CD2-CB 4.27Å; L89-V104 HydrophobicContact CD2-CG1 3.82Å; L89-V104 HydrophobicContact CD2-CG2 3.45Å; L89-V104 VanDerWaalsContact CD2-CG2 3.45Å; L89-V104 HydrophobicContact CG-CG1 4Å; L89-V104 HydrophobicContact CG-CG2 4.17Å; L102-V104 HydrophobicContact CD2-CG2 3.85Å; L102-V104 HydrophobicContact CG-CG2 4.2Å
105	W	42.6	Very low	37.1	Very low	112 Å²	112	107.3 Å²	107.3	42%	0.424	55%	0.546	S	S	.	.			trans	-105.7	127.8	176.5	-178.2	64.5	0	0	0	110.1	I32 V33	I32-W105 HydrophobicContact CD1-CB 4.1Å; I32-W105 HydrophobicContact CG1-CB 4.41Å; V33-W105 PolarHBondContact O-N 2.88Å
106	N	38.8	Very low	36.9	Very low	103 Å²	103	105.6 Å²	105.6	55%	0.551	55%	0.547	S	S	*	.			trans	-124.4	78.7	171.8	-158.3	28.7	0	0	0	108.8	V87	V87-N106 HydrophobicContact CB-CB 4.5Å; V87-N106 HydrophobicContact CG1-CB 4.12Å; V87-N106 HydrophobicContact CG2-CB 3.67Å; V87-N106 WeakPolarHBondContact CG2-ND2 3.11Å
107	G	39.3	Very low	36.7	Very low	25 Å²	25	110.4 Å²	110.4	26%	0.258	57%	0.57	S	S	.	*			trans	-110.2	113.4	172.4	0	0	0	0	0	110.4	S109	G107-S109 PolarHBondContact O-N 3.19Å
108	M	33.2	Very low	36.5	Very low	197 Å²	197	109.5 Å²	109.5	97%	0.97	56%	0.56	S	S	*	*			trans	-75.4	107.1	152.2	-77.7	179.6	175	0	0	106.2
109	S	38.2	Very low	36.3	Very low	73 Å²	73	114.7 Å²	114.7	51%	0.51	58%	0.577	S	S	.	*			trans	-96.2	98.5	169	172.5	0	0	0	0	107.8	G107	G107-S109 PolarHBondContact O-N 3.19Å
110	D	35.5	Very low	35.8	Very low	113 Å²	113	116.4 Å²	116.4	60%	0.604	57%	0.572	S	S	*	*			trans	-70	140.2	146.6	-167.9	7.5	0	0	0	107.4	S112	D110-S112 PolarHBondContact O-N 3.45Å; D110-S112 PolarHBondContact OD1-OG 3.33Å; D110-S112 PolarHBondContact OD2-OG 3.01Å; D110-S112 VanDerWaalsContact OD2-OG 3.12Å
111	R	40.3	Very low	35.3	Very low	165 Å²	165	116.3 Å²	116.3	62%	0.623	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	8	-174.2	-82.4	-174.9	176.4	-180	-0.2	113.1	D39	D39-R111 IonicContact OD2-NH2 3.42Å; D39-R111 PolarHBondContact OD2-NH2 3.1Å
112	S	34.4	Very low	34.5	Very low	83 Å²	83	117.2 Å²	117.2	58%	0.58	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-21.3	-167	-47.6	0	0	0	0	113.8	D110	D110-S112 PolarHBondContact O-N 3.45Å; D110-S112 PolarHBondContact OD1-OG 3.33Å; D110-S112 PolarHBondContact OD2-OG 3.01Å; D110-S112 VanDerWaalsContact OD2-OG 3.12Å
113	D	38	Very low	33.8	Very low	130 Å²	130	122 Å²	122	70%	0.695	62%	0.623	S	S	*	*			trans	-111.9	21.2	-167.2	-66.1	-37.1	0	0	0	115	R115	D113-R115 PolarHBondContact O-N 3Å
114	E	35.1	Very low	33.1	Very low	176 Å²	176	129 Å²	129	82%	0.822	66%	0.66	S	S	*	*			trans	-70.5	10.5	177.6	-87.4	-171.2	157	0	0	115.1
115	R	27.7	Very low	32.3	Very low	237 Å²	237	135 Å²	135	89%	0.894	68%	0.677	S	S	*	*	S	Bend	trans	-112.1	122.3	-179.9	-66.7	-176.1	-179.6	-170.4	0.9	109.9	D113	D113-R115 PolarHBondContact O-N 3Å
116	E	28.8	Very low	31.6	Very low	179 Å²	179	133 Å²	133	84%	0.836	67%	0.674	S	S	*	*			trans	81.9	68.6	171.6	-99	177.5	165.3	0	0	118.3	T118	E116-T118 PolarHBondContact O-N 3.36Å
117	M	28.4	Very low	31	Very low	137 Å²	137	131.5 Å²	131.5	68%	0.675	67%	0.668	S	S	*	*			trans	-82.7	89	153	-90.9	178.4	62.1	0	0	110.1	L128	M117-L128 HydrophobicContact CE-CD1 3.56Å; M117-L128 HydrophobicContact CE-CD2 3.89Å; M117-L128 HydrophobicContact CE-CG 4.39Å
118	T	26.7	Very low	30.4	Very low	110 Å²	110	132.8 Å²	132.8	68%	0.675	67%	0.669	S	S	*	*			trans	-82.2	118.8	175.5	-44.4	0	0	0	0	110.2	E116	E116-T118 PolarHBondContact O-N 3.36Å
119	K	30.2	Very low	30	Very low	152 Å²	152	133 Å²	133	66%	0.661	66%	0.66	S	S	*	*			trans	-79.6	126	-174.5	-66.3	174.4	178.1	178.4	0	111.6
120	H	25.4	Very low	29.5	Very low	170 Å²	170	135.7 Å²	135.7	79%	0.787	67%	0.674	S	S	*	*			trans	-128.3	113.5	157.3	-96.1	-65.9	0	0	0	109.4
121	C	27.7	Very low	29	Very low	89 Å²	89	145 Å²	145	60%	0.601	70%	0.701	S	S	*	*			trans	-101.4	117.7	167.5	-76.6	0	0	0	0	108
122	A	25.3	Very low	28.5	Very low	72 Å²	72	144.1 Å²	144.1	60%	0.595	71%	0.705	S	S	*	*			trans	-142	131	167	0	0	0	0	0	108.4
123	N	26.5	Very low	28.1	Very low	147 Å²	147	147.3 Å²	147.3	79%	0.786	71%	0.711	S	S	*	*	S	Bend	trans	63.1	61.1	172.3	-57.7	-21.9	0	0	0	116.9	R125	N123-R125 WeakPolarHBondContact O-CG 3.07Å; N123-R125 PolarHBondContact O-N 3.12Å
124	D	29.8	Very low	27.6	Very low	183 Å²	183	148.2 Å²	148.2	98%	0.979	71%	0.712	S	S	*	*	S	Bend	trans	52.5	23.2	168.3	-65.5	-25.5	0	0	0	115.9
125	R	25.6	Very low	27.2	Very low	182 Å²	182	146.6 Å²	146.6	69%	0.687	71%	0.706	S	S	*	*			trans	-133	123.1	179.9	-69	179.7	-178.1	-177.9	-0.3	109.3	N123 V127	N123-R125 WeakPolarHBondContact O-CG 3.07Å; N123-R125 PolarHBondContact O-N 3.12Å; R125-V127 HydrophobicContact CB-CG2 4.48Å
126	I	29.1	Very low	27.1	Very low	69 Å²	69	140.9 Å²	140.9	35%	0.354	69%	0.694	S	S	.	*			trans	-89.5	107.5	168.5	-62.5	170.1	0	0	0	106.4	A79 V80 V81 L128	A79-I126 HydrophobicContact CB-CG2 4.31Å; V80-I126 WeakPolarHBondContact O-CB 3.04Å; V80-I126 WeakPolarHBondContact O-CG2 3.09Å; V81-I126 HydrophobicContact CG2-CG2 4.32Å; I126-L128 HydrophobicContact CG2-CG 4.34Å
127	V	25.5	Very low	27	Very low	73 Å²	73	138.4 Å²	138.4	44%	0.442	68%	0.684	S	S	.	*			trans	-103.8	113.5	170.8	-172.9	0	0	0	0	106.7	R125 Y129	R125-V127 HydrophobicContact CB-CG2 4.48Å; V127-Y129 HydrophobicContact CB-CE2 4.28Å; V127-Y129 HydrophobicContact CG1-CD2 3.88Å; V127-Y129 HydrophobicContact CG1-CE1 4.25Å; V127-Y129 HydrophobicContact CG1-CE2 3.31Å
128	L	27.9	Very low	26.9	Very low	51 Å²	51	138.5 Å²	138.5	27%	0.267	69%	0.685	S	S	.	*			trans	-107.1	125.7	162	-60.6	178.8	0	0	0	108.4	A79 V81 M117 I126	A79-L128 HydrophobicContact CB-CD1 3.44Å; A79-L128 VanDerWaalsContact CB-CD1 3.44Å; A79-L128 HydrophobicContact CB-CG 4.31Å; V81-L128 HydrophobicContact CG1-CB 4.31Å; V81-L128 HydrophobicContact CG2-CB 3.49Å; V81-L128 VanDerWaalsContact CG2-CB 3.49Å; V81-L128 HydrophobicContact CG2-CD1 3.52Å; V81-L128 HydrophobicContact CG2-CG 3.44Å; V81-L128 VanDerWaalsContact CG2-CG 3.44Å; M117-L128 HydrophobicContact CE-CD1 3.56Å; M117-L128 HydrophobicContact CE-CD2 3.89Å; M117-L128 HydrophobicContact CE-CG 4.39Å; I126-L128 HydrophobicContact CG2-CG 4.34Å
129	Y	24.3	Very low	26.9	Very low	201 Å²	201	140.7 Å²	140.7	79%	0.788	69%	0.686	S	S	*	*			trans	-89.7	131.6	167.9	-63.6	-88.5	0	0	0	108	V127	V127-Y129 HydrophobicContact CB-CE2 4.28Å; V127-Y129 HydrophobicContact CG1-CD2 3.88Å; V127-Y129 HydrophobicContact CG1-CE1 4.25Å; V127-Y129 HydrophobicContact CG1-CE2 3.31Å
130	T	26.8	Very low	26.7	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	69%	0.688	S	S	*	*			trans	-83.1	135.3	150.6	63.1	0	0	0	0	106.2
131	R	25.8	Very low	26.8	Very low	309 Å²	309	137 Å²	137	100%	1.166	68%	0.679	S	S	*	*			trans	-77.7	0	160.8	-99.6	-173.5	177.8	180	1	109.7

Retrieved 131 of 131 residues in 175.5 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).