A0A5K4FDQ6_SCHMA Loading...

A2M domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDQ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 122 aa.

						>A0A5K4FDQ6_SCHMA|A0A5K4FDQ6
MICSENIKVTFNGNMKNGECYEPFFRDDIGNKMSEWNSPLCAKVTQITYASLRLRLPKRNVCTATFYPNTYYSSVVSFSAKVKVKLHKNLQINLPFMIKQLNITVEDQNVTSLKKHYESEHN
					

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	27.7	Very low	36.8	Very low	211 Å²	211	64.8 Å²	64.8	100%	1.039	33%	0.333	S	S	*	.				0	112.3	0	-173.9	-179.9	-127.5	0	0	107.2
2	I	24.9	Very low	37.4	Very low	112 Å²	112	68 Å²	68	57%	0.574	35%	0.351	S	S	*	.			trans	-61.3	-175.6	168.3	28.8	161.9	0	0	0	111.4	K85	I2-K85 HydrophobicContact CB-CB 4.26Å; I2-K85 HydrophobicContact CB-CD 3.91Å; I2-K85 HydrophobicContact CD1-CD 4.22Å; I2-K85 HydrophobicContact CG1-CD 4.42Å
3	C	30.7	Very low	38.1	Very low	32 Å²	32	65.8 Å²	65.8	22%	0.216	36%	0.356	C	S	.	.			trans	140.2	42.7	-146	-35.6	0	0	0	0	113.9	C62 K83 V84 K85	C3-C62 HydrophobicContact CB-CB 4.13Å; C3-C62 WeakPolarHBondContact CB-SG 3.41Å; C3-C62 WeakPolarHBondContact SG-CB 2.91Å; C3-C62 CovalentContact SG-SG 2.07Å; C3-C62 PolarHBondContact SG-SG 3.14Å; C3-K83 CarbonylContact C-O 3.13Å; C3-K83 WeakPolarHBondContact CA-O 3.03Å; C3-K83 WeakPolarHBondContact CB-O 3.3Å; C3-K83 CarbonylContact O-C 3.56Å; C3-K83 VanDerWaalsContact O-CB 3.3Å; C3-K83 WeakPolarHBondContact O-CB 3.31Å; C3-V84 VanDerWaalsContact SG-CA 3.6Å; C3-K85 VanDerWaalsContact N-CB 3.27Å; C3-K85 PolarHBondContact SG-N 3.18Å
4	S	27.7	Very low	38.9	Very low	45 Å²	45	69.1 Å²	69.1	32%	0.315	37%	0.373	S	S	.	.			trans	-159.4	103.2	-172	71.3	0	0	0	0	118.2	K83 V84 K85	S4-K83 VanDerWaalsContact N-C 3.35Å; S4-K83 PolarHBondContact N-O 3.48Å; S4-V84 CarbonylContact C-O 3.46Å; S4-K85 VanDerWaalsContact N-CB 3.32Å; S4-K85 VanDerWaalsContact OG-CD 3.29Å; S4-K85 WeakPolarHBondContact OG-CD 3.46Å
5	E	36.4	Very low	40	Very low	117 Å²	117	65.2 Å²	65.2	55%	0.547	35%	0.352	S	S	.	.	S	Bend	trans	-167.6	144.8	162.8	-165.8	167.9	-100.4	0	0	105.3	I7 K83 V84	E5-I7 PolarHBondContact O-N 3.14Å; E5-K83 VanDerWaalsContact O-CA 3.29Å; E5-K83 WeakPolarHBondContact O-CA 3.44Å; E5-V84 WeakPolarHBondContact CB-O 2.77Å; E5-V84 VanDerWaalsContact N-N 3.11Å; E5-V84 PolarHBondContact N-O 2.85Å; E5-V84 PolarHBondContact O-N 3.23Å
6	N	36.3	Very low	41.1	Very low	83 Å²	83	68.9 Å²	68.9	44%	0.444	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	62.3	-157.4	-76.7	-22.3	0	0	0	116.1	K8 K83	N6-K8 PolarHBondContact O-N 3.35Å; N6-K83 VanDerWaalsContact OD1-CE 3.27Å; N6-K83 WeakPolarHBondContact OD1-CE 3.44Å
7	I	41.3	Very low	42.2	Very low	19 Å²	19	70.9 Å²	70.9	10%	0.097	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.5	-177.9	-59	-179.3	0	0	0	111.6	E5 V9 F25 W36 V82 V84	E5-I7 PolarHBondContact O-N 3.14Å; I7-V9 HydrophobicContact CG2-CG2 3.93Å; I7-V9 PolarHBondContact O-N 3Å; I7-F25 HydrophobicContact CG2-CD1 3.46Å; I7-F25 VanDerWaalsContact CG2-CD1 3.46Å; I7-F25 HydrophobicContact CG2-CE1 3.92Å; I7-W36 HydrophobicContact CD1-CH2 3.65Å; I7-W36 HydrophobicContact CD1-CZ2 4.42Å; I7-W36 HydrophobicContact CD1-CZ3 4.07Å; I7-V82 PolarHBondContact N-O 3Å; I7-V82 VanDerWaalsContact N-O 3.13Å; I7-V82 PolarHBondContact O-N 3.12Å; I7-V84 HydrophobicContact CD1-CB 4.38Å; I7-V84 HydrophobicContact CD1-CG2 4.23Å
8	K	41.7	Very low	42.9	Very low	73 Å²	73	68.8 Å²	68.8	32%	0.317	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	101.6	173.2	-174.4	-174.8	174.9	-177.9	0	110.7	N6 R26	N6-K8 PolarHBondContact O-N 3.35Å; K8-R26 PolarHBondContact O-N 3.41Å
9	V	46	Very low	43.6	Very low	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.3	174.3	-174.3	0	0	0	0	109.5	I7 F11 P23 F25 L52 A80 V82	I7-V9 HydrophobicContact CG2-CG2 3.93Å; I7-V9 PolarHBondContact O-N 3Å; V9-F11 HydrophobicContact CG1-CD2 4.16Å; V9-F11 HydrophobicContact CG1-CE1 4.42Å; V9-F11 HydrophobicContact CG1-CE2 3.44Å; V9-F11 VanDerWaalsContact CG1-CE2 3.44Å; V9-F11 HydrophobicContact CG1-CZ 3.59Å; V9-P23 HydrophobicContact CG1-CB 3.71Å; V9-F25 HydrophobicContact CG2-CD1 3.89Å; V9-F25 HydrophobicContact CG2-CE1 3.52Å; V9-F25 HydrophobicContact CG2-CZ 4.47Å; V9-L52 HydrophobicContact CG1-CD2 4.36Å; V9-L52 HydrophobicContact CG2-CD2 3.96Å; V9-A80 PolarHBondContact N-O 3.27Å; V9-A80 PolarHBondContact O-N 2.95Å; V9-V82 HydrophobicContact CB-CG2 3.9Å; V9-V82 HydrophobicContact CG2-CB 4.3Å; V9-V82 HydrophobicContact CG2-CG2 3.47Å; V9-V82 VanDerWaalsContact CG2-CG2 3.47Å
10	T	43.8	Very low	44.2	Very low	13 Å²	13	70 Å²	70	8%	0.08	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.6	-174.1	-52.3	0	0	0	0	109.1	N12 F24	T10-N12 WeakPolarHBondContact CG2-OD1 3.46Å; T10-F24 HydrophobicContact CG2-CE2 4.28Å; T10-F24 VanDerWaalsContact O-CE2 3.23Å; T10-F24 WeakPolarHBondContact O-CE2 3.43Å; T10-F24 WeakPolarHBondContact O-CZ 3.49Å
11	F	48.3	Very low	44.7	Very low	8 Å²	8	69 Å²	69	4%	0.035	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	105.9	177.2	-64.3	-82.4	0	0	0	110.5	V9 M15 P23 A42 F66 S77 F78	V9-F11 HydrophobicContact CG1-CD2 4.16Å; V9-F11 HydrophobicContact CG1-CE1 4.42Å; V9-F11 HydrophobicContact CG1-CE2 3.44Å; V9-F11 VanDerWaalsContact CG1-CE2 3.44Å; V9-F11 HydrophobicContact CG1-CZ 3.59Å; F11-M15 HydrophobicContact CB-SD 3.73Å; F11-M15 HydrophobicContact CD1-CE 3.89Å; F11-M15 HydrophobicContact CD1-SD 4.05Å; F11-M15 HydrophobicContact CE1-CE 4.3Å; F11-M15 HydrophobicContact CG-CE 4.29Å; F11-M15 HydrophobicContact CG-SD 3.98Å; F11-P23 HydrophobicContact CE1-CB 3.64Å; F11-P23 HydrophobicContact CZ-CB 3.8Å; F11-A42 HydrophobicContact CD1-CB 4.3Å; F11-A42 HydrophobicContact CE1-CB 3.23Å; F11-A42 HydrophobicContact CE2-CB 4.49Å; F11-A42 HydrophobicContact CZ-CB 3.36Å; F11-F66 HydrophobicContact CE2-CD2 4.18Å; F11-F66 HydrophobicContact CE2-CE2 4.06Å; F11-S77 PolarHBondContact O-OG 2.85Å; F11-F78 HydrophobicContact CB-CB 4.36Å; F11-F78 HydrophobicContact CD2-CB 3.82Å; F11-F78 HydrophobicContact CG-CB 4.48Å; F11-F78 PolarHBondContact N-O 3.14Å
12	N	44.4	Very low	46	Very low	103 Å²	103	66.8 Å²	66.8	55%	0.551	36%	0.359	S	S	*	.			trans	-106.4	109.7	170	-66.1	8.8	0	0	0	108.7	T10 F24	T10-N12 WeakPolarHBondContact CG2-OD1 3.46Å; N12-F24 HydrophobicContact CB-CE1 4.24Å; N12-F24 HydrophobicContact CB-CZ 3.86Å
13	G	46.5	Very low	47.3	Very low	40 Å²	40	62 Å²	62	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	160.1	166.1	176.5	0	0	0	0	0	112.9	M15	G13-M15 VanDerWaalsContact C-N 3.33Å; G13-M15 PolarHBondContact O-N 3.15Å
14	N	49	Very low	48.2	Very low	111 Å²	111	63.1 Å²	63.1	59%	0.594	34%	0.337	S	S	*	.			trans	-81.5	79	178.5	-63.9	1.8	0	0	0	109.6	K16 V75	N14-K16 PolarHBondContact O-N 2.69Å; N14-K16 VanDerWaalsContact O-N 3.17Å; N14-V75 WeakPolarHBondContact OD1-CG2 3.27Å
15	M	55.9	Low	49.3	Very low	11 Å²	11	61.1 Å²	61.1	5%	0.054	32%	0.323	C	S	.	.			trans	-70.7	106.2	-179.4	-61.5	-178.7	83.7	0	0	111.3	F11 G13 Y21 A42 V44 F78	F11-M15 HydrophobicContact CB-SD 3.73Å; F11-M15 HydrophobicContact CD1-CE 3.89Å; F11-M15 HydrophobicContact CD1-SD 4.05Å; F11-M15 HydrophobicContact CE1-CE 4.3Å; F11-M15 HydrophobicContact CG-CE 4.29Å; F11-M15 HydrophobicContact CG-SD 3.98Å; G13-M15 VanDerWaalsContact C-N 3.33Å; G13-M15 PolarHBondContact O-N 3.15Å; M15-Y21 HydrophobicContact CB-CD2 4.12Å; M15-Y21 HydrophobicContact CB-CE2 3.81Å; M15-Y21 HydrophobicContact CE-CD2 3.5Å; M15-Y21 VanDerWaalsContact CE-CD2 3.5Å; M15-Y21 HydrophobicContact CE-CE2 4.35Å; M15-Y21 HydrophobicContact CE-CG 3.95Å; M15-Y21 HydrophobicContact CG-CD2 3.94Å; M15-Y21 HydrophobicContact CG-CE2 4.09Å; M15-Y21 HydrophobicContact CG-CG 4.23Å; M15-A42 HydrophobicContact CE-CB 4.31Å; M15-V44 HydrophobicContact CB-CG2 3.89Å; M15-V44 HydrophobicContact CE-CG2 4.08Å; M15-V44 HydrophobicContact SD-CG2 4.44Å; M15-F78 HydrophobicContact SD-CD2 3.99Å; M15-F78 HydrophobicContact SD-CE2 4.44Å
16	K	57.1	Low	49.8	Very low	124 Å²	124	59.1 Å²	59.1	54%	0.539	31%	0.31	S	S	.	.			trans	-76	154	171.3	-65.1	153.5	171.8	171.3	0	110.8	N14 E19 Y21	N14-K16 PolarHBondContact O-N 2.69Å; N14-K16 VanDerWaalsContact O-N 3.17Å; K16-E19 HydrophobicContact CB-CB 4.48Å; K16-E19 HydrophobicContact CB-CG 4.41Å; K16-E19 HydrophobicContact CD-CG 4.37Å; K16-E19 WeakPolarHBondContact CD-OE1 3.48Å; K16-E19 WeakPolarHBondContact CD-OE2 3.44Å; K16-E19 WeakPolarHBondContact CE-OE1 3.34Å; K16-E19 IonicContact NZ-OE1 3.59Å; K16-E19 PolarHBondContact NZ-OE1 3.28Å; K16-E19 IonicContact NZ-OE2 3.35Å; K16-Y21 PolarHBondContact N-OH 3.42Å
17	N	59.1	Low	50.1	Low	104 Å²	104	57.5 Å²	57.5	56%	0.556	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	140.6	170.7	-174	28	0	0	0	111	E19 V44	N17-E19 PolarHBondContact O-N 3.32Å; N17-E19 VanDerWaalsContact O-N 3.11Å; N17-V44 PolarHBondContact OD1-O 3.11Å
18	G	54.7	Low	50	Low	33 Å²	33	62.2 Å²	62.2	34%	0.34	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-29.5	174.3	0	0	0	0	0	115.7	K43 V44	G18-K43 VanDerWaalsContact O-CE 3.28Å; G18-K43 WeakPolarHBondContact O-CE 3.12Å; G18-K43 PolarHBondContact O-NZ 3.23Å; G18-V44 PolarHBondContact N-O 3.15Å; G18-V44 VanDerWaalsContact N-O 3.1Å
19	E	56.1	Low	50	Low	81 Å²	81	65.7 Å²	65.7	38%	0.379	35%	0.348	S	S	.	.			trans	-68.6	162.9	176.6	-79.9	-174.2	-162.8	0	0	112.6	K16 N17 Y21	K16-E19 HydrophobicContact CB-CB 4.48Å; K16-E19 HydrophobicContact CB-CG 4.41Å; K16-E19 HydrophobicContact CD-CG 4.37Å; K16-E19 WeakPolarHBondContact CD-OE1 3.48Å; K16-E19 WeakPolarHBondContact CD-OE2 3.44Å; K16-E19 WeakPolarHBondContact CE-OE1 3.34Å; K16-E19 IonicContact NZ-OE1 3.59Å; K16-E19 PolarHBondContact NZ-OE1 3.28Å; K16-E19 IonicContact NZ-OE2 3.35Å; N17-E19 PolarHBondContact O-N 3.32Å; N17-E19 VanDerWaalsContact O-N 3.11Å; E19-Y21 HydrophobicContact CB-CE2 3.68Å; E19-Y21 VanDerWaalsContact CB-OH 3.26Å; E19-Y21 WeakPolarHBondContact CB-OH 3.38Å; E19-Y21 PolarHBondContact OE2-OH 3.25Å
20	C	56	Low	49.9	Very low	80 Å²	80	66.5 Å²	66.5	54%	0.541	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.9	-175.7	-174.7	0	0	0	0	109.2	C41	C20-C41 WeakPolarHBondContact CB-SG 3.25Å; C20-C41 WeakPolarHBondContact SG-CA 3.38Å; C20-C41 WeakPolarHBondContact SG-CB 3.37Å; C20-C41 CovalentContact SG-SG 2.03Å; C20-C41 PolarHBondContact SG-SG 3.38Å
21	Y	55.1	Low	50.1	Low	50 Å²	50	70.2 Å²	70.2	20%	0.196	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.5	-177.2	-60.8	-77.9	0	0	0	110.9	M15 K16 E19 P23 A42	M15-Y21 HydrophobicContact CB-CD2 4.12Å; M15-Y21 HydrophobicContact CB-CE2 3.81Å; M15-Y21 HydrophobicContact CE-CD2 3.5Å; M15-Y21 VanDerWaalsContact CE-CD2 3.5Å; M15-Y21 HydrophobicContact CE-CE2 4.35Å; M15-Y21 HydrophobicContact CE-CG 3.95Å; M15-Y21 HydrophobicContact CG-CD2 3.94Å; M15-Y21 HydrophobicContact CG-CE2 4.09Å; M15-Y21 HydrophobicContact CG-CG 4.23Å; K16-Y21 PolarHBondContact N-OH 3.42Å; E19-Y21 HydrophobicContact CB-CE2 3.68Å; E19-Y21 VanDerWaalsContact CB-OH 3.26Å; E19-Y21 WeakPolarHBondContact CB-OH 3.38Å; E19-Y21 PolarHBondContact OE2-OH 3.25Å; Y21-P23 WeakPolarHBondContact O-CD 3.46Å; Y21-A42 PolarHBondContact N-O 2.99Å; Y21-A42 WeakPolarHBondContact O-CB 3.41Å; Y21-A42 PolarHBondContact O-N 2.87Å
22	E	54.5	Low	50.3	Low	163 Å²	163	77 Å²	77	76%	0.762	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-79.6	119	173.2	-62.5	-171.7	150.3	0	0	109.6	F24	E22-F24 PolarHBondContact O-N 3.47Å
23	P	53.3	Low	50.6	Low	13 Å²	13	75.7 Å²	75.7	8%	0.084	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-69.2	127.7	171.9	27	-31.2	0	0	0	109.7	V9 F11 Y21 F25 L40 L52	V9-P23 HydrophobicContact CG1-CB 3.71Å; F11-P23 HydrophobicContact CE1-CB 3.64Å; F11-P23 HydrophobicContact CZ-CB 3.8Å; Y21-P23 WeakPolarHBondContact O-CD 3.46Å; P23-F25 HydrophobicContact CB-CE2 4.03Å; P23-F25 HydrophobicContact CB-CZ 3.99Å; P23-F25 HydrophobicContact CG-CE2 3.66Å; P23-F25 HydrophobicContact CG-CZ 3.62Å; P23-F25 WeakPolarHBondContact O-CD2 3.19Å; P23-F25 VanDerWaalsContact O-CE2 3.28Å; P23-F25 WeakPolarHBondContact O-CE2 3.39Å; P23-L40 WeakPolarHBondContact CD-O 3.27Å; P23-L40 HydrophobicContact CG-CB 3.8Å; P23-L40 HydrophobicContact CG-CD1 4.48Å; P23-L52 HydrophobicContact CG-CD1 3.84Å
24	F	49.2	Very low	50.6	Low	54 Å²	54	78.4 Å²	78.4	24%	0.237	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	133.6	157.7	55.9	-96	0	0	0	109.3	T10 N12 E22 R26 K32	T10-F24 HydrophobicContact CG2-CE2 4.28Å; T10-F24 VanDerWaalsContact O-CE2 3.23Å; T10-F24 WeakPolarHBondContact O-CE2 3.43Å; T10-F24 WeakPolarHBondContact O-CZ 3.49Å; N12-F24 HydrophobicContact CB-CE1 4.24Å; N12-F24 HydrophobicContact CB-CZ 3.86Å; E22-F24 PolarHBondContact O-N 3.47Å; F24-R26 HydrophobicContact CD2-CG 4.44Å; F24-K32 HydrophobicContact CB-CD 4.41Å; F24-K32 HydrophobicContact CB-CG 4.21Å
25	F	51.2	Low	50.4	Low	3 Å²	3	79.9 Å²	79.9	1%	0.013	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	151	179.1	-68.1	-86	0	0	0	110.3	I7 V9 P23 M33 W36 L40	I7-F25 HydrophobicContact CG2-CD1 3.46Å; I7-F25 VanDerWaalsContact CG2-CD1 3.46Å; I7-F25 HydrophobicContact CG2-CE1 3.92Å; V9-F25 HydrophobicContact CG2-CD1 3.89Å; V9-F25 HydrophobicContact CG2-CE1 3.52Å; V9-F25 HydrophobicContact CG2-CZ 4.47Å; P23-F25 HydrophobicContact CB-CE2 4.03Å; P23-F25 HydrophobicContact CB-CZ 3.99Å; P23-F25 HydrophobicContact CG-CE2 3.66Å; P23-F25 HydrophobicContact CG-CZ 3.62Å; P23-F25 WeakPolarHBondContact O-CD2 3.19Å; P23-F25 VanDerWaalsContact O-CE2 3.28Å; P23-F25 WeakPolarHBondContact O-CE2 3.39Å; F25-M33 HydrophobicContact CB-CB 4.04Å; F25-M33 HydrophobicContact CB-CG 4.36Å; F25-M33 HydrophobicContact CB-SD 3.92Å; F25-M33 PolarHBondContact O-N 3.28Å; F25-W36 HydrophobicContact CB-CB 4.36Å; F25-W36 HydrophobicContact CB-CG 4.49Å; F25-W36 HydrophobicContact CD1-CD2 4.48Å; F25-W36 HydrophobicContact CD2-CB 3.71Å; F25-W36 AromaticContact CD2-CD1 3.32Å; F25-W36 HydrophobicContact CD2-CD2 4.01Å; F25-W36 AromaticContact CD2-CG 3.4Å; F25-W36 HydrophobicContact CD2-CG 3.4Å; F25-W36 VanDerWaalsContact CD2-CG 3.4Å; F25-W36 AromaticContact CD2-NE1 3.9Å; F25-W36 HydrophobicContact CE2-CB 4.49Å; F25-W36 AromaticContact CE2-CD1 3.23Å; F25-W36 HydrophobicContact CE2-CD2 4.36Å; F25-W36 AromaticContact CE2-CG 3.82Å; F25-W36 HydrophobicContact CE2-CG 3.82Å; F25-W36 AromaticContact CE2-NE1 3.51Å; F25-W36 HydrophobicContact CG-CB 4.22Å; F25-W36 HydrophobicContact CG-CD2 4.1Å; F25-W36 AromaticContact CG-CG 3.91Å; F25-W36 HydrophobicContact CG-CG 3.91Å; F25-W36 AromaticContact CZ-CD1 4Å; F25-W36 AromaticContact CZ-NE1 3.78Å; F25-L40 HydrophobicContact CE2-CD1 3.71Å; F25-L40 HydrophobicContact CZ-CD1 3.42Å; F25-L40 VanDerWaalsContact CZ-CD1 3.42Å
26	R	45.4	Very low	49.9	Very low	75 Å²	75	83.6 Å²	83.6	28%	0.283	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.9	170.9	-66	-177.2	178.1	-132.3	11	110.8	K8 F24 G30 N31	K8-R26 PolarHBondContact O-N 3.41Å; F24-R26 HydrophobicContact CD2-CG 4.44Å; R26-G30 WeakPolarHBondContact CD-O 3.37Å; R26-G30 PolarHBondContact NH1-O 3.28Å; R26-N31 WeakPolarHBondContact CA-O 3.43Å; R26-N31 WeakPolarHBondContact CB-O 3.38Å; R26-N31 WeakPolarHBondContact CG-O 3.45Å
27	D	43.6	Very low	49.3	Very low	50 Å²	50	82.8 Å²	82.8	27%	0.267	43%	0.427	S	S	.	.			trans	-68.6	176.1	169.8	65.8	12.4	0	0	0	111	I29 G30 N31 M33	D27-I29 PolarHBondContact O-N 3.38Å; D27-I29 VanDerWaalsContact OD1-CG1 3.27Å; D27-I29 WeakPolarHBondContact OD1-CG1 3.46Å; D27-I29 PolarHBondContact OD1-N 2.97Å; D27-I29 WeakPolarHBondContact OD2-CG1 3.28Å; D27-G30 PolarHBondContact O-N 3.49Å; D27-G30 PolarHBondContact OD1-N 3.37Å; D27-N31 PolarHBondContact N-O 3.42Å; D27-N31 PolarHBondContact OD1-N 3.45Å; D27-N31 WeakPolarHBondContact OD2-CB 3.34Å; D27-N31 PolarHBondContact OD2-ND2 3.4Å; D27-M33 HydrophobicContact CB-CG 4.43Å
28	D	38.4	Very low	48.7	Very low	117 Å²	117	79.5 Å²	79.5	63%	0.626	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.3	-178.2	-89.1	-51.8	0	0	0	113.5
29	I	43.6	Very low	48.3	Very low	147 Å²	147	83.4 Å²	83.4	75%	0.754	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-11.9	176.6	58.6	175.6	0	0	0	113.7	D27 N31	D27-I29 PolarHBondContact O-N 3.38Å; D27-I29 VanDerWaalsContact OD1-CG1 3.27Å; D27-I29 WeakPolarHBondContact OD1-CG1 3.46Å; D27-I29 PolarHBondContact OD1-N 2.97Å; D27-I29 WeakPolarHBondContact OD2-CG1 3.28Å; I29-N31 VanDerWaalsContact CD1-ND2 3.34Å; I29-N31 WeakPolarHBondContact CD1-ND2 3.4Å; I29-N31 WeakPolarHBondContact CG1-ND2 3.46Å
30	G	42.5	Very low	48	Very low	16 Å²	16	79.6 Å²	79.6	17%	0.165	41%	0.414	C	S	.	.			trans	106.1	7.4	169.3	0	0	0	0	0	116.5	R26 D27	R26-G30 WeakPolarHBondContact CD-O 3.37Å; R26-G30 PolarHBondContact NH1-O 3.28Å; D27-G30 PolarHBondContact O-N 3.49Å; D27-G30 PolarHBondContact OD1-N 3.37Å
31	N	48.5	Very low	47.6	Very low	92 Å²	92	78.1 Å²	78.1	49%	0.492	40%	0.404	S	S	.	.			trans	-67.6	150.3	174.2	-57.6	-51.7	0	0	0	110.8	R26 D27 I29 M33	R26-N31 WeakPolarHBondContact CA-O 3.43Å; R26-N31 WeakPolarHBondContact CB-O 3.38Å; R26-N31 WeakPolarHBondContact CG-O 3.45Å; D27-N31 PolarHBondContact N-O 3.42Å; D27-N31 PolarHBondContact OD1-N 3.45Å; D27-N31 WeakPolarHBondContact OD2-CB 3.34Å; D27-N31 PolarHBondContact OD2-ND2 3.4Å; I29-N31 VanDerWaalsContact CD1-ND2 3.34Å; I29-N31 WeakPolarHBondContact CD1-ND2 3.4Å; I29-N31 WeakPolarHBondContact CG1-ND2 3.46Å; N31-M33 PolarHBondContact O-N 3.14Å
32	K	53.3	Low	47.4	Very low	149 Å²	149	75.7 Å²	75.7	65%	0.648	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	116.8	172.5	-176.2	-172.5	176	-170.6	0	109.3	F24 S34	F24-K32 HydrophobicContact CB-CD 4.41Å; F24-K32 HydrophobicContact CB-CG 4.21Å; K32-S34 PolarHBondContact O-N 3.05Å; K32-S34 VanDerWaalsContact O-N 3.14Å
33	M	48.9	Very low	47.2	Very low	77 Å²	77	72.1 Å²	72.1	38%	0.379	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	105.9	170.9	-59	175.7	77.5	0	0	108.7	F25 D27 N31 W36	F25-M33 HydrophobicContact CB-CB 4.04Å; F25-M33 HydrophobicContact CB-CG 4.36Å; F25-M33 HydrophobicContact CB-SD 3.92Å; F25-M33 PolarHBondContact O-N 3.28Å; D27-M33 HydrophobicContact CB-CG 4.43Å; N31-M33 PolarHBondContact O-N 3.14Å; M33-W36 HydrophobicContact CE-CE3 4.38Å
34	S	47.4	Very low	47.2	Very low	97 Å²	97	71.7 Å²	71.7	68%	0.678	37%	0.373	S	S	*	.	S	Bend	trans	-73.8	-25	179.9	41.5	0	0	0	0	113.5	K32 W36	K32-S34 PolarHBondContact O-N 3.05Å; K32-S34 VanDerWaalsContact O-N 3.14Å; S34-W36 PolarHBondContact O-N 2.98Å
35	E	44.7	Very low	47.1	Very low	141 Å²	141	71.7 Å²	71.7	66%	0.659	38%	0.378	S	S	*	.			trans	-82.4	-11	-169.5	-53.7	-173	147	0	0	114.3	N37	E35-N37 PolarHBondContact O-N 3.29Å
36	W	46.1	Very low	46.9	Very low	89 Å²	89	76.8 Å²	76.8	34%	0.337	40%	0.402	S	S	.	.			trans	-81.2	63.1	-175.2	-158.2	-70.3	0	0	0	112.1	I7 F25 M33 S34 S38 L54	I7-W36 HydrophobicContact CD1-CH2 3.65Å; I7-W36 HydrophobicContact CD1-CZ2 4.42Å; I7-W36 HydrophobicContact CD1-CZ3 4.07Å; F25-W36 HydrophobicContact CB-CB 4.36Å; F25-W36 HydrophobicContact CB-CG 4.49Å; F25-W36 HydrophobicContact CD1-CD2 4.48Å; F25-W36 HydrophobicContact CD2-CB 3.71Å; F25-W36 AromaticContact CD2-CD1 3.32Å; F25-W36 HydrophobicContact CD2-CD2 4.01Å; F25-W36 AromaticContact CD2-CG 3.4Å; F25-W36 HydrophobicContact CD2-CG 3.4Å; F25-W36 VanDerWaalsContact CD2-CG 3.4Å; F25-W36 AromaticContact CD2-NE1 3.9Å; F25-W36 HydrophobicContact CE2-CB 4.49Å; F25-W36 AromaticContact CE2-CD1 3.23Å; F25-W36 HydrophobicContact CE2-CD2 4.36Å; F25-W36 AromaticContact CE2-CG 3.82Å; F25-W36 HydrophobicContact CE2-CG 3.82Å; F25-W36 AromaticContact CE2-NE1 3.51Å; F25-W36 HydrophobicContact CG-CB 4.22Å; F25-W36 HydrophobicContact CG-CD2 4.1Å; F25-W36 AromaticContact CG-CG 3.91Å; F25-W36 HydrophobicContact CG-CG 3.91Å; F25-W36 AromaticContact CZ-CD1 4Å; F25-W36 AromaticContact CZ-NE1 3.78Å; M33-W36 HydrophobicContact CE-CE3 4.38Å; S34-W36 PolarHBondContact O-N 2.98Å; W36-S38 VanDerWaalsContact CD1-CB 3.43Å; W36-S38 PolarHBondContact O-N 3.16Å; W36-L54 HydrophobicContact CZ2-CD2 4.45Å
37	N	44	Very low	47	Very low	108 Å²	108	78.7 Å²	78.7	58%	0.578	42%	0.416	S	S	*	.			trans	-73.2	89.9	167.3	-79.8	-15.5	0	0	0	109.5	E35 L101	E35-N37 PolarHBondContact O-N 3.29Å; N37-L101 HydrophobicContact CB-CD2 4.1Å; N37-L101 WeakPolarHBondContact ND2-CD2 3.47Å
38	S	46.2	Very low	47	Very low	35 Å²	35	79.5 Å²	79.5	25%	0.245	42%	0.423	C	S	.	.			trans	-136.1	134.2	178.6	-166.1	0	0	0	0	109.6	W36 L40	W36-S38 VanDerWaalsContact CD1-CB 3.43Å; W36-S38 PolarHBondContact O-N 3.16Å; S38-L40 PolarHBondContact O-N 3.22Å; S38-L40 WeakPolarHBondContact OG-CG 3.47Å
39	P	45.9	Very low	47.1	Very low	114 Å²	114	77 Å²	77	74%	0.74	41%	0.406	S	S	*	.			trans	-76.9	66.5	-173	32.8	-37.4	0	0	0	111.3	C41	P39-C41 PolarHBondContact O-N 2.82Å
40	L	50.1	Low	47.2	Very low	2 Å²	2	70 Å²	70	1%	0.01	37%	0.37	C	S	.	.			trans	-99.7	92.4	-168.8	-65	-179.2	0	0	0	109.8	P23 F25 S38 A42 L52 R53 L54	P23-L40 WeakPolarHBondContact CD-O 3.27Å; P23-L40 HydrophobicContact CG-CB 3.8Å; P23-L40 HydrophobicContact CG-CD1 4.48Å; F25-L40 HydrophobicContact CE2-CD1 3.71Å; F25-L40 HydrophobicContact CZ-CD1 3.42Å; F25-L40 VanDerWaalsContact CZ-CD1 3.42Å; S38-L40 PolarHBondContact O-N 3.22Å; S38-L40 WeakPolarHBondContact OG-CG 3.47Å; L40-A42 PolarHBondContact O-N 3.38Å; L40-A42 VanDerWaalsContact O-N 3.15Å; L40-L52 HydrophobicContact CB-CD1 4.3Å; L40-R53 WeakPolarHBondContact CD2-O 3.34Å; L40-L54 HydrophobicContact CD1-CD2 3.59Å; L40-L54 HydrophobicContact CD2-CD2 4.09Å
41	C	48.4	Very low	47.3	Very low	48 Å²	48	70.5 Å²	70.5	32%	0.324	37%	0.371	S	S	.	.			trans	-70.2	109.8	170	-164.3	0	0	0	0	109.9	C20 P39	C20-C41 WeakPolarHBondContact CB-SG 3.25Å; C20-C41 WeakPolarHBondContact SG-CA 3.38Å; C20-C41 WeakPolarHBondContact SG-CB 3.37Å; C20-C41 CovalentContact SG-SG 2.03Å; C20-C41 PolarHBondContact SG-SG 3.38Å; P39-C41 PolarHBondContact O-N 2.82Å
42	A	50	Low	47.5	Very low	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.4	156.6	0	0	0	0	0	108.6	F11 M15 Y21 L40 S51	F11-A42 HydrophobicContact CD1-CB 4.3Å; F11-A42 HydrophobicContact CE1-CB 3.23Å; F11-A42 HydrophobicContact CE2-CB 4.49Å; F11-A42 HydrophobicContact CZ-CB 3.36Å; M15-A42 HydrophobicContact CE-CB 4.31Å; Y21-A42 PolarHBondContact N-O 2.99Å; Y21-A42 WeakPolarHBondContact O-CB 3.41Å; Y21-A42 PolarHBondContact O-N 2.87Å; L40-A42 PolarHBondContact O-N 3.38Å; L40-A42 VanDerWaalsContact O-N 3.15Å; A42-S51 WeakPolarHBondContact CA-O 3.42Å
43	K	51.4	Low	47.5	Very low	88 Å²	88	66.7 Å²	66.7	38%	0.383	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.2	-178.9	-178.1	162.1	173.3	139	0	110.3	G18 T45 S51	G18-K43 VanDerWaalsContact O-CE 3.28Å; G18-K43 WeakPolarHBondContact O-CE 3.12Å; G18-K43 PolarHBondContact O-NZ 3.23Å; K43-T45 HydrophobicContact CB-CG2 4.48Å; K43-T45 HydrophobicContact CD-CG2 4.42Å; K43-T45 HydrophobicContact CG-CG2 3.94Å; K43-T45 PolarHBondContact O-N 3.35Å; K43-S51 PolarHBondContact N-O 3.31Å; K43-S51 PolarHBondContact O-N 3.45Å; K43-S51 VanDerWaalsContact O-N 3.07Å; K43-S51 PolarHBondContact O-OG 2.75Å
44	V	52	Low	47.6	Very low	4 Å²	4	63.3 Å²	63.3	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.1	161.3	-178.5	0	0	0	0	106.4	M15 N17 G18 Q46 F78	M15-V44 HydrophobicContact CB-CG2 3.89Å; M15-V44 HydrophobicContact CE-CG2 4.08Å; M15-V44 HydrophobicContact SD-CG2 4.44Å; N17-V44 PolarHBondContact OD1-O 3.11Å; G18-V44 PolarHBondContact N-O 3.15Å; G18-V44 VanDerWaalsContact N-O 3.1Å; V44-Q46 WeakPolarHBondContact CG1-O 3.33Å; V44-F78 HydrophobicContact CG2-CE2 4.15Å
45	T	47.4	Very low	47.7	Very low	54 Å²	54	67.5 Å²	67.5	33%	0.331	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-29.6	-177.3	51.5	0	0	0	0	111.8	K43 Y49	K43-T45 HydrophobicContact CB-CG2 4.48Å; K43-T45 HydrophobicContact CD-CG2 4.42Å; K43-T45 HydrophobicContact CG-CG2 3.94Å; K43-T45 PolarHBondContact O-N 3.35Å; T45-Y49 WeakPolarHBondContact OG1-CE2 3.18Å
46	Q	46.8	Very low	47.9	Very low	110 Å²	110	62.1 Å²	62.1	51%	0.514	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.4	165.4	-65.1	-177	-19.5	0	0	107.3	V44 T48 Y49	V44-Q46 WeakPolarHBondContact CG1-O 3.33Å; Q46-T48 PolarHBondContact O-N 3.3Å; Q46-Y49 HydrophobicContact CB-CD1 4.38Å; Q46-Y49 HydrophobicContact CB-CE1 3.99Å; Q46-Y49 HydrophobicContact CG-CE1 4.27Å; Q46-Y49 PolarHBondContact O-N 3.44Å; Q46-Y49 VanDerWaalsContact O-N 3.08Å
47	I	48.7	Very low	47.7	Very low	114 Å²	114	60.5 Å²	60.5	59%	0.585	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.8	-179.8	-71.4	169.5	0	0	0	111.8	Y71	I47-Y71 HydrophobicContact CG2-CD1 4.22Å; I47-Y71 HydrophobicContact CG2-CE1 3.68Å; I47-Y71 WeakPolarHBondContact O-CE1 2.96Å
48	T	42.6	Very low	48	Very low	68 Å²	68	62.9 Å²	62.9	42%	0.417	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.7	179.4	45.9	0	0	0	0	115.8	Q46 Y67 P68	Q46-T48 PolarHBondContact O-N 3.3Å; T48-Y67 WeakPolarHBondContact O-CD1 3.47Å; T48-P68 WeakPolarHBondContact O-CD 3.36Å
49	Y	40.4	Very low	47.9	Very low	65 Å²	65	72.4 Å²	72.4	26%	0.255	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	147.3	179	65.1	-85.7	0	0	0	115.1	T45 Q46 T65 F66	T45-Y49 WeakPolarHBondContact OG1-CE2 3.18Å; Q46-Y49 HydrophobicContact CB-CD1 4.38Å; Q46-Y49 HydrophobicContact CB-CE1 3.99Å; Q46-Y49 HydrophobicContact CG-CE1 4.27Å; Q46-Y49 PolarHBondContact O-N 3.44Å; Q46-Y49 VanDerWaalsContact O-N 3.08Å; Y49-T65 HydrophobicContact CD2-CG2 3.64Å; Y49-T65 HydrophobicContact CE2-CG2 4.39Å; Y49-T65 HydrophobicContact CG-CG2 4.01Å; Y49-F66 CarbonylContact C-O 2.93Å; Y49-F66 WeakPolarHBondContact CA-O 3.41Å; Y49-F66 VanDerWaalsContact CB-O 3.28Å; Y49-F66 WeakPolarHBondContact CB-O 3.34Å
50	A	45.7	Very low	47.8	Very low	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	151.8	163.9	0	0	0	0	0	110.5	F66 F78	A50-F66 PolarHBondContact N-O 2.88Å; A50-F66 PolarHBondContact O-N 3.12Å; A50-F78 HydrophobicContact CB-CD1 3.74Å; A50-F78 HydrophobicContact CB-CD2 3.71Å; A50-F78 HydrophobicContact CB-CE1 3.64Å; A50-F78 HydrophobicContact CB-CE2 3.62Å; A50-F78 HydrophobicContact CB-CG 3.77Å; A50-F78 HydrophobicContact CB-CZ 3.59Å
51	S	45.3	Very low	47.8	Very low	26 Å²	26	72.8 Å²	72.8	18%	0.182	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.4	171.1	62	0	0	0	0	110.9	A42 K43 A64	A42-S51 WeakPolarHBondContact CA-O 3.42Å; K43-S51 PolarHBondContact N-O 3.31Å; K43-S51 PolarHBondContact O-N 3.45Å; K43-S51 VanDerWaalsContact O-N 3.07Å; K43-S51 PolarHBondContact O-OG 2.75Å; S51-A64 WeakPolarHBondContact CA-O 3.39Å
52	L	53.3	Low	47.8	Very low	0 Å²	0	71.5 Å²	71.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.8	172.2	172.3	68.3	0	0	0	109	V9 P23 L40 L54 T63 A64 F66 V82	V9-L52 HydrophobicContact CG1-CD2 4.36Å; V9-L52 HydrophobicContact CG2-CD2 3.96Å; P23-L52 HydrophobicContact CG-CD1 3.84Å; L40-L52 HydrophobicContact CB-CD1 4.3Å; L52-L54 HydrophobicContact CD2-CD1 4.24Å; L52-L54 HydrophobicContact CD2-CG 4.28Å; L52-L54 HydrophobicContact CG-CG 4.3Å; L52-T63 WeakPolarHBondContact O-CA 3.23Å; L52-A64 PolarHBondContact N-O 3.13Å; L52-A64 PolarHBondContact O-N 3.12Å; L52-F66 HydrophobicContact CB-CE2 3.56Å; L52-F66 HydrophobicContact CB-CZ 3.84Å; L52-F66 HydrophobicContact CD2-CE2 4.22Å; L52-F66 HydrophobicContact CD2-CZ 4.05Å; L52-V82 HydrophobicContact CD2-CG1 4.5Å; L52-V82 HydrophobicContact CD2-CG2 4.13Å
53	R	52.3	Low	47.8	Very low	161 Å²	161	75.8 Å²	75.8	61%	0.608	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	93.8	-178.5	-168.5	176.7	-176.3	170	3.7	111.5	L40 R55 V61	L40-R53 WeakPolarHBondContact CD2-O 3.34Å; R53-R55 PolarHBondContact O-N 2.76Å; R53-V61 HydrophobicContact CG-CG1 3.6Å
54	L	52	Low	47.8	Very low	5 Å²	5	72.5 Å²	72.5	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	102.2	177.2	-69.8	150.7	0	0	0	110.5	W36 L40 L52 L56 V61 C62 V82 V84	W36-L54 HydrophobicContact CZ2-CD2 4.45Å; L40-L54 HydrophobicContact CD1-CD2 3.59Å; L40-L54 HydrophobicContact CD2-CD2 4.09Å; L52-L54 HydrophobicContact CD2-CD1 4.24Å; L52-L54 HydrophobicContact CD2-CG 4.28Å; L52-L54 HydrophobicContact CG-CG 4.3Å; L54-L56 PolarHBondContact O-N 3.11Å; L54-V61 VanDerWaalsContact O-CA 3.3Å; L54-V61 WeakPolarHBondContact O-CA 3.28Å; L54-C62 HydrophobicContact CB-CB 4.49Å; L54-C62 WeakPolarHBondContact CB-O 3.04Å; L54-C62 PolarHBondContact N-O 2.81Å; L54-C62 PolarHBondContact O-N 2.84Å; L54-V82 HydrophobicContact CD1-CG1 4.15Å; L54-V84 HydrophobicContact CD1-CG1 4.2Å; L54-V84 HydrophobicContact CD1-CG2 3.48Å; L54-V84 VanDerWaalsContact CD1-CG2 3.48Å
55	R	48.2	Very low	47.7	Very low	185 Å²	185	75.7 Å²	75.7	70%	0.698	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	108.4	172.6	-169.9	178.5	-171.7	174.8	1.7	109.5	R53	R53-R55 PolarHBondContact O-N 2.76Å
56	L	49.7	Very low	48	Very low	28 Å²	28	74 Å²	74	15%	0.147	35%	0.354	C	S	.	.			trans	-95.9	163.2	-178.3	-66.1	175.4	0	0	0	111.4	L54 N60 L86	L54-L56 PolarHBondContact O-N 3.11Å; L56-N60 HydrophobicContact CB-CB 3.91Å; L56-N60 PolarHBondContact N-O 2.79Å; L56-L86 HydrophobicContact CD1-CD2 4.45Å; L56-L86 HydrophobicContact CD2-CD2 3.99Å
57	P	41.5	Very low	48.2	Very low	55 Å²	55	76.6 Å²	76.6	36%	0.357	36%	0.36	S	S	.	.	S	Bend	trans	-52.2	157.1	170.4	-27.5	35.4	0	0	0	113.6	R59 N60 L90	P57-R59 VanDerWaalsContact C-N 3.35Å; P57-R59 PolarHBondContact O-N 3.48Å; P57-N60 PolarHBondContact O-ND2 2.87Å; P57-L90 HydrophobicContact CB-CD2 3.97Å; P57-L90 HydrophobicContact CG-CD2 4.08Å
58	K	49.9	Very low	48.1	Very low	158 Å²	158	72.1 Å²	72.1	69%	0.687	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	36.3	-177.3	-52.8	173.8	-179.1	173.6	0	113.8	N60 N89	K58-N60 PolarHBondContact O-N 3.09Å; K58-N60 PolarHBondContact O-ND2 3.31Å; K58-N89 PolarHBondContact NZ-O 3.41Å
59	R	45.6	Very low	48.3	Very low	235 Å²	235	74.6 Å²	74.6	89%	0.887	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	9.7	179.7	-57.5	-178.2	177.2	-178	-0.8	115.9	P57	P57-R59 VanDerWaalsContact C-N 3.35Å; P57-R59 PolarHBondContact O-N 3.48Å
60	N	42.2	Very low	48.2	Very low	77 Å²	77	74.8 Å²	74.8	41%	0.412	36%	0.357	S	S	.	.			trans	-69.2	150.3	179.7	-69.2	-71	0	0	0	111.9	L56 P57 K58	L56-N60 HydrophobicContact CB-CB 3.91Å; L56-N60 PolarHBondContact N-O 2.79Å; P57-N60 PolarHBondContact O-ND2 2.87Å; K58-N60 PolarHBondContact O-N 3.09Å; K58-N60 PolarHBondContact O-ND2 3.31Å
61	V	49.9	Very low	48.1	Very low	48 Å²	48	80.6 Å²	80.6	29%	0.291	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	121.6	176.3	-179.6	0	0	0	0	109.3	R53 L54	R53-V61 HydrophobicContact CG-CG1 3.6Å; L54-V61 VanDerWaalsContact O-CA 3.3Å; L54-V61 WeakPolarHBondContact O-CA 3.28Å
62	C	49.6	Very low	47.6	Very low	21 Å²	21	87.4 Å²	87.4	14%	0.142	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.7	158.5	-84.1	0	0	0	0	107.9	C3 L54	C3-C62 HydrophobicContact CB-CB 4.13Å; C3-C62 WeakPolarHBondContact CB-SG 3.41Å; C3-C62 WeakPolarHBondContact SG-CB 2.91Å; C3-C62 CovalentContact SG-SG 2.07Å; C3-C62 PolarHBondContact SG-SG 3.14Å; L54-C62 HydrophobicContact CB-CB 4.49Å; L54-C62 WeakPolarHBondContact CB-O 3.04Å; L54-C62 PolarHBondContact N-O 2.81Å; L54-C62 PolarHBondContact O-N 2.84Å
63	T	49.9	Very low	46.9	Very low	89 Å²	89	93.9 Å²	93.9	55%	0.546	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	137.3	171	-55.2	0	0	0	0	108.4	L52	L52-T63 WeakPolarHBondContact O-CA 3.23Å
64	A	51.4	Low	46.3	Very low	19 Å²	19	90.7 Å²	90.7	16%	0.157	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138	174.2	0	0	0	0	0	110	S51 L52 F66 V82	S51-A64 WeakPolarHBondContact CA-O 3.39Å; L52-A64 PolarHBondContact N-O 3.13Å; L52-A64 PolarHBondContact O-N 3.12Å; A64-F66 HydrophobicContact CB-CE1 3.55Å; A64-F66 HydrophobicContact CB-CZ 3.59Å; A64-V82 HydrophobicContact CB-CG1 3.69Å
65	T	49.3	Very low	45.5	Very low	71 Å²	71	92.6 Å²	92.6	44%	0.436	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.4	-176	-56.9	0	0	0	0	109.2	Y49	Y49-T65 HydrophobicContact CD2-CG2 3.64Å; Y49-T65 HydrophobicContact CE2-CG2 4.39Å; Y49-T65 HydrophobicContact CG-CG2 4.01Å
66	F	54.3	Low	45.2	Very low	18 Å²	18	84.5 Å²	84.5	8%	0.079	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.5	-175.4	-43.6	-46.9	0	0	0	110.5	F11 Y49 A50 L52 A64 F78 A80 V82	F11-F66 HydrophobicContact CE2-CD2 4.18Å; F11-F66 HydrophobicContact CE2-CE2 4.06Å; Y49-F66 CarbonylContact C-O 2.93Å; Y49-F66 WeakPolarHBondContact CA-O 3.41Å; Y49-F66 VanDerWaalsContact CB-O 3.28Å; Y49-F66 WeakPolarHBondContact CB-O 3.34Å; A50-F66 PolarHBondContact N-O 2.88Å; A50-F66 PolarHBondContact O-N 3.12Å; L52-F66 HydrophobicContact CB-CE2 3.56Å; L52-F66 HydrophobicContact CB-CZ 3.84Å; L52-F66 HydrophobicContact CD2-CE2 4.22Å; L52-F66 HydrophobicContact CD2-CZ 4.05Å; A64-F66 HydrophobicContact CB-CE1 3.55Å; A64-F66 HydrophobicContact CB-CZ 3.59Å; F66-F78 HydrophobicContact CB-CD1 3.96Å; F66-F78 WeakPolarHBondContact O-CE1 3.47Å; F66-A80 HydrophobicContact CB-CB 4.07Å; F66-A80 HydrophobicContact CD1-CB 3.17Å; F66-A80 HydrophobicContact CD2-CB 3.94Å; F66-A80 HydrophobicContact CE1-CB 3.49Å; F66-A80 VanDerWaalsContact CE1-CB 3.49Å; F66-A80 HydrophobicContact CE2-CB 4.19Å; F66-A80 HydrophobicContact CG-CB 3.44Å; F66-A80 VanDerWaalsContact CG-CB 3.44Å; F66-A80 HydrophobicContact CZ-CB 4.01Å; F66-V82 HydrophobicContact CE1-CG2 3.74Å; F66-V82 HydrophobicContact CE2-CG2 4.36Å; F66-V82 HydrophobicContact CZ-CG1 4.46Å; F66-V82 HydrophobicContact CZ-CG2 3.37Å
67	Y	50.2	Low	44.6	Very low	166 Å²	166	85.5 Å²	85.5	65%	0.651	44%	0.443	S	S	*	.			trans	-90.3	147.4	170	-56.4	-80.2	0	0	0	108.9	T48	T48-Y67 WeakPolarHBondContact O-CD1 3.47Å
68	P	47.9	Very low	44.5	Very low	19 Å²	19	82.9 Å²	82.9	12%	0.123	43%	0.426	C	S	.	.			trans	-77.8	136.7	-176.5	30.8	-32.5	0	0	0	110.6	T48 T70 Y71 V76 F78	T48-P68 WeakPolarHBondContact O-CD 3.36Å; P68-T70 VanDerWaalsContact C-N 3.26Å; P68-T70 PolarHBondContact O-N 3.02Å; P68-Y71 HydrophobicContact CG-CD1 4.34Å; P68-Y71 HydrophobicContact CG-CE1 3.6Å; P68-Y71 HydrophobicContact CG-CE2 3.86Å; P68-Y71 WeakPolarHBondContact CG-OH 3.01Å; P68-V76 HydrophobicContact CB-CG1 3.44Å; P68-V76 VanDerWaalsContact CB-CG1 3.44Å; P68-V76 HydrophobicContact CG-CG1 4.05Å; P68-F78 HydrophobicContact CB-CD1 4.05Å; P68-F78 HydrophobicContact CB-CE1 3.63Å; P68-F78 HydrophobicContact CB-CZ 3.93Å; P68-F78 HydrophobicContact CG-CE1 4.06Å; P68-F78 HydrophobicContact CG-CZ 4.34Å
69	N	45.5	Very low	44	Very low	121 Å²	121	78 Å²	78	65%	0.647	41%	0.411	S	S	*	.	S	Bend	trans	-75.2	-18.9	176.7	-71.6	-8.4	0	0	0	112.2
70	T	38.6	Very low	43.6	Very low	69 Å²	69	67.4 Å²	67.4	42%	0.423	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	139	-178.7	-39.7	0	0	0	0	110.3	P68 Y72	P68-T70 VanDerWaalsContact C-N 3.26Å; P68-T70 PolarHBondContact O-N 3.02Å; T70-Y72 HydrophobicContact CG2-CD2 4.01Å; T70-Y72 HydrophobicContact CG2-CE2 3.43Å; T70-Y72 VanDerWaalsContact CG2-CE2 3.43Å
71	Y	43.4	Very low	43.3	Very low	121 Å²	121	71.3 Å²	71.3	48%	0.475	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.2	169.6	-67.5	-81.2	0	0	0	109.7	I47 P68	I47-Y71 HydrophobicContact CG2-CD1 4.22Å; I47-Y71 HydrophobicContact CG2-CE1 3.68Å; I47-Y71 WeakPolarHBondContact O-CE1 2.96Å; P68-Y71 HydrophobicContact CG-CD1 4.34Å; P68-Y71 HydrophobicContact CG-CE1 3.6Å; P68-Y71 HydrophobicContact CG-CE2 3.86Å; P68-Y71 WeakPolarHBondContact CG-OH 3.01Å
72	Y	35.8	Very low	42.7	Very low	170 Å²	170	69.4 Å²	69.4	67%	0.667	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	155.5	157.2	-68.8	-74.7	0	0	0	108.8	T70 S74 V75	T70-Y72 HydrophobicContact CG2-CD2 4.01Å; T70-Y72 HydrophobicContact CG2-CE2 3.43Å; T70-Y72 VanDerWaalsContact CG2-CE2 3.43Å; Y72-S74 PolarHBondContact O-N 2.92Å; Y72-V75 PolarHBondContact N-O 2.81Å; Y72-V75 VanDerWaalsContact N-O 3.17Å; Y72-V75 PolarHBondContact O-N 2.75Å
73	S	37.5	Very low	41.8	Very low	136 Å²	136	74.5 Å²	74.5	95%	0.951	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-14.4	-160.1	47.4	0	0	0	0	117.2
74	S	40.6	Very low	41.1	Very low	93 Å²	93	70.6 Å²	70.6	65%	0.65	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.7	10.8	172.2	57.2	0	0	0	0	113.5	Y72	Y72-S74 PolarHBondContact O-N 2.92Å
75	V	35.3	Very low	40.2	Very low	45 Å²	45	74.5 Å²	74.5	27%	0.273	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	119.6	-170.7	-172.6	0	0	0	0	109.9	N14 Y72	N14-V75 WeakPolarHBondContact OD1-CG2 3.27Å; Y72-V75 PolarHBondContact N-O 2.81Å; Y72-V75 VanDerWaalsContact N-O 3.17Å; Y72-V75 PolarHBondContact O-N 2.75Å
76	V	40.2	Very low	39.5	Very low	15 Å²	15	73.5 Å²	73.5	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	108.6	-179.2	-163.3	0	0	0	0	108.9	P68 F78	P68-V76 HydrophobicContact CB-CG1 3.44Å; P68-V76 VanDerWaalsContact CB-CG1 3.44Å; P68-V76 HydrophobicContact CG-CG1 4.05Å; V76-F78 HydrophobicContact CB-CE2 3.86Å; V76-F78 HydrophobicContact CB-CZ 4.4Å; V76-F78 HydrophobicContact CG1-CD2 4.14Å; V76-F78 HydrophobicContact CG1-CE1 4.34Å; V76-F78 HydrophobicContact CG1-CE2 3.32Å; V76-F78 HydrophobicContact CG1-CZ 3.45Å; V76-F78 VanDerWaalsContact CG1-CZ 3.45Å
77	S	37.4	Very low	38.4	Very low	50 Å²	50	78.8 Å²	78.8	35%	0.35	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.2	176.3	-175.2	0	0	0	0	111.1	F11	F11-S77 PolarHBondContact O-OG 2.85Å
78	F	39.7	Very low	37.4	Very low	0 Å²	0	80.6 Å²	80.6	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.7	177.5	-63.4	-91.8	0	0	0	108.9	F11 M15 V44 A50 F66 P68 V76	F11-F78 HydrophobicContact CB-CB 4.36Å; F11-F78 HydrophobicContact CD2-CB 3.82Å; F11-F78 HydrophobicContact CG-CB 4.48Å; F11-F78 PolarHBondContact N-O 3.14Å; M15-F78 HydrophobicContact SD-CD2 3.99Å; M15-F78 HydrophobicContact SD-CE2 4.44Å; V44-F78 HydrophobicContact CG2-CE2 4.15Å; A50-F78 HydrophobicContact CB-CD1 3.74Å; A50-F78 HydrophobicContact CB-CD2 3.71Å; A50-F78 HydrophobicContact CB-CE1 3.64Å; A50-F78 HydrophobicContact CB-CE2 3.62Å; A50-F78 HydrophobicContact CB-CG 3.77Å; A50-F78 HydrophobicContact CB-CZ 3.59Å; F66-F78 HydrophobicContact CB-CD1 3.96Å; F66-F78 WeakPolarHBondContact O-CE1 3.47Å; P68-F78 HydrophobicContact CB-CD1 4.05Å; P68-F78 HydrophobicContact CB-CE1 3.63Å; P68-F78 HydrophobicContact CB-CZ 3.93Å; P68-F78 HydrophobicContact CG-CE1 4.06Å; P68-F78 HydrophobicContact CG-CZ 4.34Å; V76-F78 HydrophobicContact CB-CE2 3.86Å; V76-F78 HydrophobicContact CB-CZ 4.4Å; V76-F78 HydrophobicContact CG1-CD2 4.14Å; V76-F78 HydrophobicContact CG1-CE1 4.34Å; V76-F78 HydrophobicContact CG1-CE2 3.32Å; V76-F78 HydrophobicContact CG1-CZ 3.45Å; V76-F78 VanDerWaalsContact CG1-CZ 3.45Å
79	S	38.8	Very low	36.4	Very low	54 Å²	54	85.3 Å²	85.3	38%	0.378	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	110.4	171	160.7	0	0	0	0	107.9
80	A	37.6	Very low	35.6	Very low	14 Å²	14	80.9 Å²	80.9	12%	0.116	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.7	-173.4	0	0	0	0	0	112.3	V9 F66 V82	V9-A80 PolarHBondContact N-O 3.27Å; V9-A80 PolarHBondContact O-N 2.95Å; F66-A80 HydrophobicContact CB-CB 4.07Å; F66-A80 HydrophobicContact CD1-CB 3.17Å; F66-A80 HydrophobicContact CD2-CB 3.94Å; F66-A80 HydrophobicContact CE1-CB 3.49Å; F66-A80 VanDerWaalsContact CE1-CB 3.49Å; F66-A80 HydrophobicContact CE2-CB 4.19Å; F66-A80 HydrophobicContact CG-CB 3.44Å; F66-A80 VanDerWaalsContact CG-CB 3.44Å; F66-A80 HydrophobicContact CZ-CB 4.01Å; A80-V82 PolarHBondContact O-N 3.47Å
81	K	35.7	Very low	35.2	Very low	159 Å²	159	85.5 Å²	85.5	69%	0.691	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	108	168.3	-66.6	-165.1	175.9	-161.6	0	108.5
82	V	37.4	Very low	34.5	Very low	8 Å²	8	82.6 Å²	82.6	5%	0.048	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.2	-178.3	-163.6	0	0	0	0	108.3	I7 V9 L52 L54 A64 F66 A80 V84	I7-V82 PolarHBondContact N-O 3Å; I7-V82 VanDerWaalsContact N-O 3.13Å; I7-V82 PolarHBondContact O-N 3.12Å; V9-V82 HydrophobicContact CB-CG2 3.9Å; V9-V82 HydrophobicContact CG2-CB 4.3Å; V9-V82 HydrophobicContact CG2-CG2 3.47Å; V9-V82 VanDerWaalsContact CG2-CG2 3.47Å; L52-V82 HydrophobicContact CD2-CG1 4.5Å; L52-V82 HydrophobicContact CD2-CG2 4.13Å; L54-V82 HydrophobicContact CD1-CG1 4.15Å; A64-V82 HydrophobicContact CB-CG1 3.69Å; F66-V82 HydrophobicContact CE1-CG2 3.74Å; F66-V82 HydrophobicContact CE2-CG2 4.36Å; F66-V82 HydrophobicContact CZ-CG1 4.46Å; F66-V82 HydrophobicContact CZ-CG2 3.37Å; A80-V82 PolarHBondContact O-N 3.47Å; V82-V84 HydrophobicContact CB-CG2 4.27Å; V82-V84 HydrophobicContact CG1-CG2 3.69Å
83	K	31	Very low	34.2	Very low	127 Å²	127	79 Å²	79	55%	0.552	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	114.2	175.4	-89	-172.2	179.6	-176.3	0	108.4	C3 S4 E5 N6	C3-K83 CarbonylContact C-O 3.13Å; C3-K83 WeakPolarHBondContact CA-O 3.03Å; C3-K83 WeakPolarHBondContact CB-O 3.3Å; C3-K83 CarbonylContact O-C 3.56Å; C3-K83 VanDerWaalsContact O-CB 3.3Å; C3-K83 WeakPolarHBondContact O-CB 3.31Å; S4-K83 VanDerWaalsContact N-C 3.35Å; S4-K83 PolarHBondContact N-O 3.48Å; E5-K83 VanDerWaalsContact O-CA 3.29Å; E5-K83 WeakPolarHBondContact O-CA 3.44Å; N6-K83 VanDerWaalsContact OD1-CE 3.27Å; N6-K83 WeakPolarHBondContact OD1-CE 3.44Å
84	V	35.2	Very low	33.9	Very low	8 Å²	8	77.1 Å²	77.1	5%	0.048	39%	0.393	C	S	.	.			trans	-126.4	116.2	-175.3	-170.9	0	0	0	0	112.1	C3 S4 E5 I7 L54 V82	C3-V84 VanDerWaalsContact SG-CA 3.6Å; S4-V84 CarbonylContact C-O 3.46Å; E5-V84 WeakPolarHBondContact CB-O 2.77Å; E5-V84 VanDerWaalsContact N-N 3.11Å; E5-V84 PolarHBondContact N-O 2.85Å; E5-V84 PolarHBondContact O-N 3.23Å; I7-V84 HydrophobicContact CD1-CB 4.38Å; I7-V84 HydrophobicContact CD1-CG2 4.23Å; L54-V84 HydrophobicContact CD1-CG1 4.2Å; L54-V84 HydrophobicContact CD1-CG2 3.48Å; L54-V84 VanDerWaalsContact CD1-CG2 3.48Å; V82-V84 HydrophobicContact CB-CG2 4.27Å; V82-V84 HydrophobicContact CG1-CG2 3.69Å
85	K	32	Very low	33.4	Very low	101 Å²	101	76.9 Å²	76.9	44%	0.439	39%	0.389	S	S	.	.			trans	-102.7	106	-175.3	-155.3	172.3	-160.4	159.8	0	108.7	I2 C3 S4 H87	I2-K85 HydrophobicContact CB-CB 4.26Å; I2-K85 HydrophobicContact CB-CD 3.91Å; I2-K85 HydrophobicContact CD1-CD 4.22Å; I2-K85 HydrophobicContact CG1-CD 4.42Å; C3-K85 VanDerWaalsContact N-CB 3.27Å; C3-K85 PolarHBondContact SG-N 3.18Å; S4-K85 VanDerWaalsContact N-CB 3.32Å; S4-K85 VanDerWaalsContact OG-CD 3.29Å; S4-K85 WeakPolarHBondContact OG-CD 3.46Å; K85-H87 PolarHBondContact O-N 3.49Å
86	L	36.2	Very low	33.3	Very low	49 Å²	49	80.3 Å²	80.3	26%	0.257	40%	0.401	S	S	.	.			trans	-68.2	126	159.9	-60.4	166.7	0	0	0	106.9	L56 L90 I92	L56-L86 HydrophobicContact CD1-CD2 4.45Å; L56-L86 HydrophobicContact CD2-CD2 3.99Å; L86-L90 HydrophobicContact CB-CB 4.47Å; L86-L90 HydrophobicContact CD2-CD2 4.47Å; L86-I92 HydrophobicContact CD1-CD1 3.59Å; L86-I92 HydrophobicContact CD1-CG1 4.36Å; L86-I92 HydrophobicContact CD2-CD1 4.11Å; L86-I92 HydrophobicContact CD2-CG1 4.35Å
87	H	29.9	Very low	32.9	Very low	130 Å²	130	83.3 Å²	83.3	60%	0.602	42%	0.415	S	S	*	.			trans	-63.7	148.3	170.4	-155.3	-88.9	0	0	0	107.9	K85 N89 L90	K85-H87 PolarHBondContact O-N 3.49Å; H87-N89 PolarHBondContact O-N 2.98Å; H87-L90 HydrophobicContact CB-CD1 4.12Å; H87-L90 WeakPolarHBondContact O-CA 3.27Å; H87-L90 WeakPolarHBondContact O-CB 3.29Å; H87-L90 PolarHBondContact O-N 3.22Å
88	K	29.7	Very low	32.7	Very low	204 Å²	204	84.9 Å²	84.9	89%	0.887	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-10.7	175.6	-70.6	-167.7	173.7	-170.3	0	114.1
89	N	27.8	Very low	32.5	Very low	118 Å²	118	92.2 Å²	92.2	63%	0.631	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	5.8	177.4	-55	18.9	0	0	0	112.6	K58 H87 Q91	K58-N89 PolarHBondContact NZ-O 3.41Å; H87-N89 PolarHBondContact O-N 2.98Å; N89-Q91 PolarHBondContact O-N 3.34Å
90	L	28.7	Very low	32.3	Very low	28 Å²	28	95.5 Å²	95.5	15%	0.147	46%	0.46	C	S	.	.			trans	-79.2	80.1	145.3	-89.9	129.8	0	0	0	106.7	P57 L86 H87 I92	P57-L90 HydrophobicContact CB-CD2 3.97Å; P57-L90 HydrophobicContact CG-CD2 4.08Å; L86-L90 HydrophobicContact CB-CB 4.47Å; L86-L90 HydrophobicContact CD2-CD2 4.47Å; H87-L90 HydrophobicContact CB-CD1 4.12Å; H87-L90 WeakPolarHBondContact O-CA 3.27Å; H87-L90 WeakPolarHBondContact O-CB 3.29Å; H87-L90 PolarHBondContact O-N 3.22Å; L90-I92 PolarHBondContact O-N 3.23Å
91	Q	28.5	Very low	32	Very low	165 Å²	165	97.2 Å²	97.2	77%	0.771	47%	0.466	S	S	*	.			trans	-54.6	100.7	136.7	-74.7	173.8	-23.4	0	0	105.5	N89 N93	N89-Q91 PolarHBondContact O-N 3.34Å; Q91-N93 PolarHBondContact O-N 3.31Å; Q91-N93 VanDerWaalsContact O-N 3.09Å
92	I	29.5	Very low	31.9	Very low	60 Å²	60	93.2 Å²	93.2	31%	0.308	45%	0.453	S	S	.	.			trans	-55.4	115.4	150.5	-66.3	179.7	0	0	0	103	L86 L90 L94 M97	L86-I92 HydrophobicContact CD1-CD1 3.59Å; L86-I92 HydrophobicContact CD1-CG1 4.36Å; L86-I92 HydrophobicContact CD2-CD1 4.11Å; L86-I92 HydrophobicContact CD2-CG1 4.35Å; L90-I92 PolarHBondContact O-N 3.23Å; I92-L94 HydrophobicContact CG2-CD2 4.4Å; I92-L94 HydrophobicContact CG2-CG 4.18Å; I92-L94 PolarHBondContact O-N 2.81Å; I92-M97 HydrophobicContact CG2-SD 3.79Å
93	N	30.7	Very low	31.9	Very low	95 Å²	95	98.9 Å²	98.9	51%	0.508	48%	0.481	S	S	.	.			trans	-76.2	76.9	-179.5	-161.6	-3	0	0	0	106.5	Q91 P95 F96 M97	Q91-N93 PolarHBondContact O-N 3.31Å; Q91-N93 VanDerWaalsContact O-N 3.09Å; N93-P95 VanDerWaalsContact C-CD 3.46Å; N93-P95 WeakPolarHBondContact OD1-CD 3.36Å; N93-F96 HydrophobicContact CB-CB 4.03Å; N93-F96 WeakPolarHBondContact O-CA 3.16Å; N93-F96 VanDerWaalsContact O-CB 3.28Å; N93-F96 WeakPolarHBondContact O-CB 3.46Å; N93-F96 PolarHBondContact O-N 3.2Å; N93-M97 PolarHBondContact O-N 3.34Å; N93-M97 VanDerWaalsContact O-N 3.11Å
94	L	30.9	Very low	31.9	Very low	96 Å²	96	97.8 Å²	97.8	50%	0.503	49%	0.485	S	S	.	.	H	α-helix	trans	-49.7	-42.6	178.2	-80.6	162.2	0	0	0	110.6	I92 F96 M97 I98	I92-L94 HydrophobicContact CG2-CD2 4.4Å; I92-L94 HydrophobicContact CG2-CG 4.18Å; I92-L94 PolarHBondContact O-N 2.81Å; L94-F96 PolarHBondContact O-N 2.77Å; L94-F96 VanDerWaalsContact O-N 3.13Å; L94-M97 PolarHBondContact O-N 2.7Å; L94-M97 VanDerWaalsContact O-N 3.12Å; L94-I98 HydrophobicContact CB-CD1 4.26Å; L94-I98 VanDerWaalsContact O-CB 3.25Å; L94-I98 WeakPolarHBondContact O-CB 3.3Å; L94-I98 WeakPolarHBondContact O-CD1 3.26Å; L94-I98 WeakPolarHBondContact O-CG1 3.29Å; L94-I98 PolarHBondContact O-N 3.46Å
95	P	30	Very low	31.9	Very low	88 Å²	88	99.3 Å²	99.3	57%	0.571	49%	0.494	S	S	*	.	H	α-helix	trans	-53.4	-30.3	169.6	-30.2	36.5	0	0	0	116.1	N93 K99	N93-P95 VanDerWaalsContact C-CD 3.46Å; N93-P95 WeakPolarHBondContact OD1-CD 3.36Å; P95-K99 WeakPolarHBondContact O-CB 3.36Å; P95-K99 WeakPolarHBondContact O-CG 3.2Å; P95-K99 PolarHBondContact O-N 2.89Å; P95-K99 VanDerWaalsContact O-N 3.12Å
96	F	32	Very low	32.3	Very low	118 Å²	118	102.6 Å²	102.6	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-79.9	-41.9	175	-173.7	-86.8	0	0	0	112.1	N93 L94 K99 Q100	N93-F96 HydrophobicContact CB-CB 4.03Å; N93-F96 WeakPolarHBondContact O-CA 3.16Å; N93-F96 VanDerWaalsContact O-CB 3.28Å; N93-F96 WeakPolarHBondContact O-CB 3.46Å; N93-F96 PolarHBondContact O-N 3.2Å; L94-F96 PolarHBondContact O-N 2.77Å; L94-F96 VanDerWaalsContact O-N 3.13Å; F96-K99 PolarHBondContact O-N 3.44Å; F96-Q100 HydrophobicContact CE1-CG 4.35Å; F96-Q100 PolarHBondContact O-N 2.93Å; F96-Q100 VanDerWaalsContact O-N 3.15Å
97	M	32.2	Very low	32.7	Very low	78 Å²	78	107.8 Å²	107.8	38%	0.384	54%	0.54	S	S	.	.	H	α-helix	trans	-67.7	-41.4	175.1	-75.7	-175.7	63.3	0	0	111.7	I92 N93 L94 K99 Q100 L101	I92-M97 HydrophobicContact CG2-SD 3.79Å; N93-M97 PolarHBondContact O-N 3.34Å; N93-M97 VanDerWaalsContact O-N 3.11Å; L94-M97 PolarHBondContact O-N 2.7Å; L94-M97 VanDerWaalsContact O-N 3.12Å; M97-K99 VanDerWaalsContact C-N 3.3Å; M97-K99 PolarHBondContact O-N 2.7Å; M97-Q100 PolarHBondContact O-N 2.03Å; M97-Q100 VanDerWaalsContact O-N 3.11Å; M97-L101 WeakPolarHBondContact O-CB 3.15Å; M97-L101 WeakPolarHBondContact O-CG 3.22Å; M97-L101 PolarHBondContact O-N 3.19Å
98	I	32.8	Very low	33	Very low	82 Å²	82	108.7 Å²	108.7	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-59	-40.9	171.1	-67.7	165.1	0	0	0	110.2	L94 Q100 L101 N102	L94-I98 HydrophobicContact CB-CD1 4.26Å; L94-I98 VanDerWaalsContact O-CB 3.25Å; L94-I98 WeakPolarHBondContact O-CB 3.3Å; L94-I98 WeakPolarHBondContact O-CD1 3.26Å; L94-I98 WeakPolarHBondContact O-CG1 3.29Å; L94-I98 PolarHBondContact O-N 3.46Å; I98-Q100 VanDerWaalsContact C-N 3.33Å; I98-Q100 PolarHBondContact O-N 3.07Å; I98-L101 PolarHBondContact O-N 3.15Å; I98-N102 WeakPolarHBondContact O-CB 3.28Å; I98-N102 PolarHBondContact O-N 2.93Å; I98-N102 PolarHBondContact O-OD1 3.4Å
99	K	36.6	Very low	33.5	Very low	154 Å²	154	105.5 Å²	105.5	67%	0.67	54%	0.536	S	S	*	.	H	α-helix	trans	-62.6	-33.3	173.7	-90.8	-168.5	172.7	-168.4	0	114.1	P95 F96 M97 I103	P95-K99 WeakPolarHBondContact O-CB 3.36Å; P95-K99 WeakPolarHBondContact O-CG 3.2Å; P95-K99 PolarHBondContact O-N 2.89Å; P95-K99 VanDerWaalsContact O-N 3.12Å; F96-K99 PolarHBondContact O-N 3.44Å; M97-K99 VanDerWaalsContact C-N 3.3Å; M97-K99 PolarHBondContact O-N 2.7Å; K99-I103 WeakPolarHBondContact O-CD1 3.43Å; K99-I103 WeakPolarHBondContact O-CG1 3.21Å
100	Q	34.5	Very low	34.3	Very low	124 Å²	124	102.9 Å²	102.9	58%	0.579	53%	0.525	S	S	*	.	H	α-helix	trans	-82.5	-32.9	174.7	-64	-147	-77.3	0	0	113	F96 M97 I98 I103 T104	F96-Q100 HydrophobicContact CE1-CG 4.35Å; F96-Q100 PolarHBondContact O-N 2.93Å; F96-Q100 VanDerWaalsContact O-N 3.15Å; M97-Q100 PolarHBondContact O-N 2.03Å; M97-Q100 VanDerWaalsContact O-N 3.11Å; I98-Q100 VanDerWaalsContact C-N 3.33Å; I98-Q100 PolarHBondContact O-N 3.07Å; Q100-I103 PolarHBondContact O-N 3.37Å; Q100-T104 PolarHBondContact O-OG1 2.88Å
101	L	31.8	Very low	35	Very low	49 Å²	49	106.7 Å²	106.7	26%	0.257	55%	0.549	S	S	.	.	H	α-helix	trans	-62.8	-45.8	171.4	-80.2	161.4	0	0	0	111.1	N37 M97 I98 I103 T104 V105	N37-L101 HydrophobicContact CB-CD2 4.1Å; N37-L101 WeakPolarHBondContact ND2-CD2 3.47Å; M97-L101 WeakPolarHBondContact O-CB 3.15Å; M97-L101 WeakPolarHBondContact O-CG 3.22Å; M97-L101 PolarHBondContact O-N 3.19Å; I98-L101 PolarHBondContact O-N 3.15Å; L101-I103 PolarHBondContact O-N 3.04Å; L101-T104 CarbonylContact O-C 3.38Å; L101-T104 WeakPolarHBondContact O-CA 3.28Å; L101-T104 PolarHBondContact O-N 2.97Å; L101-V105 WeakPolarHBondContact O-CB 3.47Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.44Å; L101-V105 PolarHBondContact O-N 2.78Å
102	N	32.8	Very low	35.9	Very low	76 Å²	76	102.5 Å²	102.5	41%	0.406	54%	0.538	S	S	.	.	H	α-helix	trans	-58	-35.9	179	-72.7	7.2	0	0	0	112.5	I98 T104 V105 E106	I98-N102 WeakPolarHBondContact O-CB 3.28Å; I98-N102 PolarHBondContact O-N 2.93Å; I98-N102 PolarHBondContact O-OD1 3.4Å; N102-T104 PolarHBondContact O-N 3.47Å; N102-V105 PolarHBondContact O-N 3.13Å; N102-E106 PolarHBondContact O-N 3.02Å; N102-E106 VanDerWaalsContact O-N 3.15Å
103	I	36.3	Very low	36.4	Very low	127 Å²	127	104.6 Å²	104.6	65%	0.651	55%	0.549	S	S	*	.	H	α-helix	trans	-66.8	-21.4	175.6	-65.1	165.8	0	0	0	112.3	K99 Q100 L101	K99-I103 WeakPolarHBondContact O-CD1 3.43Å; K99-I103 WeakPolarHBondContact O-CG1 3.21Å; Q100-I103 PolarHBondContact O-N 3.37Å; L101-I103 PolarHBondContact O-N 3.04Å
104	T	32.8	Very low	36.9	Very low	104 Å²	104	106.1 Å²	106.1	64%	0.638	55%	0.552	S	S	*	*	H	α-helix	trans	-105.1	-2.7	178.9	-36.6	0	0	0	0	112.6	Q100 L101 N102	Q100-T104 PolarHBondContact O-OG1 2.88Å; L101-T104 CarbonylContact O-C 3.38Å; L101-T104 WeakPolarHBondContact O-CA 3.28Å; L101-T104 PolarHBondContact O-N 2.97Å; N102-T104 PolarHBondContact O-N 3.47Å
105	V	34.4	Very low	37.8	Very low	39 Å²	39	109 Å²	109	24%	0.236	56%	0.56	C	S	.	*	H	α-helix	trans	-122.2	5	-176	-174.3	0	0	0	0	111.8	L101 N102 D107 Q108 V110	L101-V105 WeakPolarHBondContact O-CB 3.47Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.44Å; L101-V105 PolarHBondContact O-N 2.78Å; N102-V105 PolarHBondContact O-N 3.13Å; V105-D107 PolarHBondContact O-N 3.18Å; V105-D107 VanDerWaalsContact O-N 3.14Å; V105-Q108 WeakPolarHBondContact CG1-O 3.07Å; V105-Q108 PolarHBondContact O-N 3.01Å; V105-V110 HydrophobicContact CG1-CG2 3.91Å
106	E	40.9	Very low	38.5	Very low	171 Å²	171	110 Å²	110	80%	0.799	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-23.6	167.7	-89.6	175.8	167.3	0	0	112.9	N102	N102-E106 PolarHBondContact O-N 3.02Å; N102-E106 VanDerWaalsContact O-N 3.15Å
107	D	44	Very low	38.7	Very low	158 Å²	158	111.4 Å²	111.4	85%	0.845	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-14.9	172.1	-82.9	-41.2	0	0	0	115	V105	V105-D107 PolarHBondContact O-N 3.18Å; V105-D107 VanDerWaalsContact O-N 3.14Å
108	Q	36.1	Very low	39.1	Very low	149 Å²	149	112.5 Å²	112.5	70%	0.696	56%	0.564	S	S	*	*	S	Bend	trans	-141.9	91.6	-168.8	-65.1	-167.2	5.4	0	0	115.9	V105 V110	V105-Q108 WeakPolarHBondContact CG1-O 3.07Å; V105-Q108 PolarHBondContact O-N 3.01Å; Q108-V110 VanDerWaalsContact C-N 3.35Å; Q108-V110 PolarHBondContact O-N 3.45Å
109	N	41.3	Very low	39.9	Very low	136 Å²	136	112.2 Å²	112.2	73%	0.727	57%	0.569	S	S	*	*			trans	48.2	39.3	147.9	-98.4	-17.3	0	0	0	118.1	T111 S112	N109-T111 PolarHBondContact O-N 2.88Å; N109-S112 PolarHBondContact O-N 3.24Å; N109-S112 VanDerWaalsContact O-N 3.14Å; N109-S112 PolarHBondContact O-OG 3.17Å
110	V	42.6	Very low	40.2	Very low	64 Å²	64	111.3 Å²	111.3	39%	0.388	57%	0.567	S	S	.	*	H	α-helix	trans	-47.8	-33.3	178.9	178.8	0	0	0	0	114	V105 Q108 S112 L113 K114	V105-V110 HydrophobicContact CG1-CG2 3.91Å; Q108-V110 VanDerWaalsContact C-N 3.35Å; Q108-V110 PolarHBondContact O-N 3.45Å; V110-S112 PolarHBondContact O-N 2.9Å; V110-S112 VanDerWaalsContact O-N 3.12Å; V110-L113 PolarHBondContact O-N 2.89Å; V110-K114 PolarHBondContact O-N 2.87Å
111	T	44.2	Very low	40.7	Very low	107 Å²	107	111.1 Å²	111.1	66%	0.656	57%	0.566	S	S	*	*	H	α-helix	trans	-54.6	-30.8	-178.8	-38.3	0	0	0	0	113.8	N109	N109-T111 PolarHBondContact O-N 2.88Å
112	S	48.1	Very low	41.1	Very low	77 Å²	77	118 Å²	118	54%	0.538	60%	0.603	S	S	.	*	H	α-helix	trans	-71.5	-50.3	-178.8	-46.3	0	0	0	0	112	N109 V110 K114 K115 H116	N109-S112 PolarHBondContact O-N 3.24Å; N109-S112 VanDerWaalsContact O-N 3.14Å; N109-S112 PolarHBondContact O-OG 3.17Å; V110-S112 PolarHBondContact O-N 2.9Å; V110-S112 VanDerWaalsContact O-N 3.12Å; S112-K114 PolarHBondContact O-N 2.07Å; S112-K115 PolarHBondContact O-N 2.63Å; S112-H116 PolarHBondContact O-N 3.07Å
113	L	38.9	Very low	41.5	Very low	104 Å²	104	120.1 Å²	120.1	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-65.7	-40.7	-174.9	-80.8	158.5	0	0	0	111.8	V110 K115 H116 Y117	V110-L113 PolarHBondContact O-N 2.89Å; L113-K115 PolarHBondContact O-N 3.2Å; L113-H116 PolarHBondContact O-N 3.47Å; L113-Y117 PolarHBondContact O-N 2.91Å; L113-Y117 VanDerWaalsContact O-N 3.14Å
114	K	42.6	Very low	41.8	Very low	128 Å²	128	119.7 Å²	119.7	56%	0.557	61%	0.611	S	S	*	*	H	α-helix	trans	-59.1	-45.1	179.9	-174.3	177.4	171.3	-175.7	0	112.1	V110 S112 H116 Y117 E118	V110-K114 PolarHBondContact O-N 2.87Å; S112-K114 PolarHBondContact O-N 2.07Å; K114-H116 VanDerWaalsContact C-N 3.33Å; K114-H116 PolarHBondContact O-N 2.74Å; K114-Y117 PolarHBondContact O-N 2.89Å; K114-E118 WeakPolarHBondContact CE-OE1 3.22Å; K114-E118 VanDerWaalsContact CE-OE2 3.31Å; K114-E118 WeakPolarHBondContact CE-OE2 3.35Å; K114-E118 HydrophobicContact CG-CG 4.46Å; K114-E118 IonicContact NZ-OE1 3.31Å; K114-E118 PolarHBondContact NZ-OE1 3.1Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 3.11Å
115	K	49	Very low	42.3	Very low	156 Å²	156	120.6 Å²	120.6	68%	0.678	61%	0.61	S	S	*	*	H	α-helix	trans	-63.9	-34.9	179.4	-82.3	-170.6	171.1	-173.2	0	113.5	S112 L113 S119	S112-K115 PolarHBondContact O-N 2.63Å; L113-K115 PolarHBondContact O-N 3.2Å; K115-S119 WeakPolarHBondContact O-CB 3.44Å; K115-S119 PolarHBondContact O-N 3.03Å; K115-S119 PolarHBondContact O-OG 3.47Å
116	H	45.2	Very low	42.7	Very low	108 Å²	108	125.4 Å²	125.4	50%	0.5	63%	0.632	S	S	.	*	H	α-helix	trans	-68.9	-48.5	177.9	-173.4	20.6	0	0	0	110.8	S112 L113 K114 E118 S119 E120	S112-H116 PolarHBondContact O-N 3.07Å; L113-H116 PolarHBondContact O-N 3.47Å; K114-H116 VanDerWaalsContact C-N 3.33Å; K114-H116 PolarHBondContact O-N 2.74Å; H116-E118 VanDerWaalsContact C-N 3.33Å; H116-E118 PolarHBondContact O-N 3.03Å; H116-S119 PolarHBondContact O-N 3.03Å; H116-S119 PolarHBondContact O-OG 3.02Å; H116-E120 IonicContact CE1-OE1 2.7Å; H116-E120 PolarHBondContact CE1-OE1 3.08Å; H116-E120 VanDerWaalsContact CE1-OE1 3.31Å; H116-E120 PolarHBondContact O-N 3.17Å
117	Y	35.6	Very low	42.8	Very low	148 Å²	148	122.6 Å²	122.6	58%	0.58	62%	0.621	S	S	*	*	H	α-helix	trans	-64.4	-34.7	-179.7	-155.6	-82.3	0	0	0	113	L113 K114 S119 H121	L113-Y117 PolarHBondContact O-N 2.91Å; L113-Y117 VanDerWaalsContact O-N 3.14Å; K114-Y117 PolarHBondContact O-N 2.89Å; Y117-S119 PolarHBondContact O-N 2.85Å; Y117-H121 AromaticContact CD1-CD2 3.94Å; Y117-H121 AromaticContact CE1-CD2 3.56Å; Y117-H121 AromaticContact CZ-CD2 3.69Å; Y117-H121 AromaticContact CZ-NE2 3.98Å
118	E	40.4	Very low	42.8	Very low	101 Å²	101	120.2 Å²	120.2	47%	0.472	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	-12	173.9	-72	177.5	153.3	0	0	113.4	K114 H116 N122	K114-E118 WeakPolarHBondContact CE-OE1 3.22Å; K114-E118 VanDerWaalsContact CE-OE2 3.31Å; K114-E118 WeakPolarHBondContact CE-OE2 3.35Å; K114-E118 HydrophobicContact CG-CG 4.46Å; K114-E118 IonicContact NZ-OE1 3.31Å; K114-E118 PolarHBondContact NZ-OE1 3.1Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 3.11Å; H116-E118 VanDerWaalsContact C-N 3.33Å; H116-E118 PolarHBondContact O-N 3.03Å; E118-N122 PolarHBondContact O-ND2 3.21Å
119	S	49.3	Very low	43.2	Very low	76 Å²	76	118.1 Å²	118.1	53%	0.531	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.9	-20	-177.4	70.8	0	0	0	0	116	K115 H116 Y117	K115-S119 WeakPolarHBondContact O-CB 3.44Å; K115-S119 PolarHBondContact O-N 3.03Å; K115-S119 PolarHBondContact O-OG 3.47Å; H116-S119 PolarHBondContact O-N 3.03Å; H116-S119 PolarHBondContact O-OG 3.02Å; Y117-S119 PolarHBondContact O-N 2.85Å
120	E	43.3	Very low	43.4	Very low	135 Å²	135	116.8 Å²	116.8	63%	0.631	59%	0.59	S	S	*	*	S	Bend	trans	-97.5	-4.7	176.3	-64.5	-159.2	155.6	0	0	113.5	H116	H116-E120 IonicContact CE1-OE1 2.7Å; H116-E120 PolarHBondContact CE1-OE1 3.08Å; H116-E120 VanDerWaalsContact CE1-OE1 3.31Å; H116-E120 PolarHBondContact O-N 3.17Å
121	H	45.4	Very low	43.5	Very low	120 Å²	120	121.2 Å²	121.2	56%	0.556	61%	0.607	S	S	*	*			trans	-132	20.9	-170.8	-62.8	-22.7	0	0	0	114.2	Y117	Y117-H121 AromaticContact CD1-CD2 3.94Å; Y117-H121 AromaticContact CE1-CD2 3.56Å; Y117-H121 AromaticContact CZ-CD2 3.69Å; Y117-H121 AromaticContact CZ-NE2 3.98Å
122	N	39.6	Very low	43.4	Very low	194 Å²	194	122.5 Å²	122.5	100%	1.037	60%	0.602	S	S	*	*			trans	-127.1	0	162.5	-72.3	-70.7	0	0	0	109.5	E118	E118-N122 PolarHBondContact O-ND2 3.21Å

Retrieved 122 of 122 residues in 136.2 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).