A0A5K4F9N3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F9N3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 119 aa.

						>A0A5K4F9N3_SCHMA|A0A5K4F9N3
MSSYYDNDLVGYYDDSGVFKPWMNSDYRYSYRDSRQISDDLRYGKRIYIYRDYTSTPSYYQSTYSPSYNYVSPLRRFRSYGSLSDYGMNSLYGYSYSRPASQLQRVDIYDDTRYSRYYY
					

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(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	32.1	Very low	42.8	Very low	248 Å²	248	98.9 Å²	98.9	100%	1.222	51%	0.51	S	S	*	.				0	99.7	0	-75	160.1	98.1	0	0	106.7
2	S	27	Very low	44	Very low	109 Å²	109	98.3 Å²	98.3	76%	0.762	50%	0.498	S	S	*	.			trans	-72.7	124.1	174.9	-75.4	0	0	0	0	109.1	Y4	S2-Y4 PolarHBondContact O-N 2.99Å
3	S	30.7	Very low	44.9	Very low	87 Å²	87	97.5 Å²	97.5	61%	0.608	49%	0.486	S	S	*	.			trans	-59.9	119.1	168.4	40.1	0	0	0	0	108.6	Y5	S3-Y5 PolarHBondContact O-N 3.11Å; S3-Y5 VanDerWaalsContact O-N 3.08Å
4	Y	34.9	Very low	46	Very low	163 Å²	163	93.5 Å²	93.5	64%	0.639	47%	0.467	S	S	*	.	S	Bend	trans	-72.2	6.8	-175.1	-93.7	-94.1	0	0	0	114.6	S2	S2-Y4 PolarHBondContact O-N 2.99Å
5	Y	43.3	Very low	46.5	Very low	135 Å²	135	99.4 Å²	99.4	53%	0.529	50%	0.501	S	S	.	.			trans	-148.9	84.8	-166.9	-51.3	-73.5	0	0	0	111.6	S3	S3-Y5 PolarHBondContact O-N 3.11Å; S3-Y5 VanDerWaalsContact O-N 3.08Å
6	D	39.7	Very low	47.4	Very low	137 Å²	137	99.8 Å²	99.8	73%	0.733	52%	0.515	S	S	*	.	S	Bend	trans	-89.1	-12.9	175.8	-83.3	-18.1	0	0	0	113.4
7	N	46.9	Very low	47.7	Very low	103 Å²	103	96.8 Å²	96.8	55%	0.551	52%	0.515	S	S	*	.			trans	-135.2	39.3	-167.1	-64.7	-40.8	0	0	0	114.9	L9 D52	N7-L9 PolarHBondContact O-N 3.42Å; N7-L9 VanDerWaalsContact O-N 3.15Å; N7-D52 HydrophobicContact CB-CB 4.22Å
8	D	49.6	Very low	48.1	Very low	28 Å²	28	95.6 Å²	95.6	15%	0.15	51%	0.512	C	S	.	.			trans	-73.9	103.2	172	-87.3	19.5	0	0	0	109.9	V10 I49 Y50 R51	D8-V10 PolarHBondContact O-N 2.81Å; D8-I49 HydrophobicContact CB-CG2 4.49Å; D8-Y50 CarbonylContact C-O 3.05Å; D8-Y50 WeakPolarHBondContact CA-O 3.42Å; D8-R51 WeakPolarHBondContact OD1-CG 3.44Å; D8-R51 IonicContact OD2-CZ 3.57Å; D8-R51 IonicContact OD2-NE 2.84Å; D8-R51 PolarHBondContact OD2-NE 2.84Å
9	L	51.5	Low	48.8	Very low	68 Å²	68	92.9 Å²	92.9	36%	0.356	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	97.9	172.2	-70.1	168.2	0	0	0	109.1	N7 F19 P21 Y50	N7-L9 PolarHBondContact O-N 3.42Å; N7-L9 VanDerWaalsContact O-N 3.15Å; L9-F19 HydrophobicContact CB-CE1 4.43Å; L9-P21 HydrophobicContact CD2-CB 4.39Å; L9-Y50 PolarHBondContact N-O 3.29Å; L9-Y50 PolarHBondContact O-N 3.2Å
10	V	56	Low	49.2	Very low	10 Å²	10	92.5 Å²	92.5	6%	0.061	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135	170.6	-168.4	0	0	0	0	108.7	D8 P21 W22 I37 I47 I49	D8-V10 PolarHBondContact O-N 2.81Å; V10-P21 CarbonylContact O-C 3.58Å; V10-P21 WeakPolarHBondContact O-CA 3.43Å; V10-W22 HydrophobicContact CB-CE3 4.48Å; V10-W22 HydrophobicContact CG1-CD2 4.47Å; V10-W22 HydrophobicContact CG1-CE3 3.53Å; V10-W22 HydrophobicContact CG1-CZ3 4Å; V10-W22 WeakPolarHBondContact O-CB 3.38Å; V10-W22 PolarHBondContact O-N 3.04Å; V10-I37 HydrophobicContact CG1-CD1 4.27Å; V10-I47 HydrophobicContact CG1-CG2 3.82Å; V10-I49 HydrophobicContact CG1-CG1 4.13Å; V10-I49 HydrophobicContact CG2-CG1 4.13Å; V10-I49 HydrophobicContact CG2-CG2 4.38Å
11	G	58.6	Low	49.6	Very low	0 Å²	0	91.1 Å²	91.1	0%	0	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-169.7	176.1	0	0	0	0	0	114.1	F19 K20 Y48	G11-F19 VanDerWaalsContact CA-CE2 3.5Å; G11-K20 CarbonylContact C-O 3.59Å; G11-K20 WeakPolarHBondContact CA-O 3.36Å; G11-Y48 PolarHBondContact N-O 2.99Å; G11-Y48 PolarHBondContact O-N 3.02Å
12	Y	57.2	Low	50.7	Low	92 Å²	92	82 Å²	82	36%	0.361	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.8	-180	65.9	-74.3	0	0	0	110	D14 F19 K20 W22	Y12-D14 HydrophobicContact CE2-CB 4.43Å; Y12-F19 CarbonylContact O-C 3.54Å; Y12-F19 WeakPolarHBondContact O-CD2 3.36Å; Y12-K20 HydrophobicContact CD1-CB 3.88Å; Y12-K20 WeakPolarHBondContact CD1-O 3.44Å; Y12-K20 HydrophobicContact CD2-CB 4.39Å; Y12-K20 HydrophobicContact CE1-CB 3.5Å; Y12-K20 HydrophobicContact CE1-CG 4.39Å; Y12-K20 HydrophobicContact CE2-CB 4.03Å; Y12-K20 HydrophobicContact CE2-CG 4.13Å; Y12-K20 HydrophobicContact CG-CB 4.34Å; Y12-K20 PolarHBondContact N-O 2.83Å; Y12-K20 PolarHBondContact O-N 3.36Å; Y12-W22 AromaticContact CD1-CD1 3.32Å; Y12-W22 HydrophobicContact CD1-CG 4.4Å; Y12-W22 AromaticContact CD1-NE1 3.05Å; Y12-W22 AromaticContact CE1-CD1 3.55Å; Y12-W22 AromaticContact CE1-NE1 3.52Å; Y12-W22 AromaticContact CG-NE1 3.97Å
13	Y	56.6	Low	51.7	Low	87 Å²	87	78.7 Å²	78.7	34%	0.341	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.4	163.4	-80.5	-83.1	0	0	0	108.3	G17 V18 F19 Y48 Y50	Y13-G17 VanDerWaalsContact CD1-C 3.43Å; Y13-G17 WeakPolarHBondContact CD1-O 3.47Å; Y13-G17 VanDerWaalsContact CE1-O 3.28Å; Y13-G17 WeakPolarHBondContact CE1-O 3.07Å; Y13-V18 WeakPolarHBondContact CA-O 3.27Å; Y13-V18 VanDerWaalsContact CD1-C 3.46Å; Y13-F19 HydrophobicContact CD1-CB 4.14Å; Y13-F19 HydrophobicContact CD2-CD2 4.46Å; Y13-F19 HydrophobicContact CE1-CB 3.75Å; Y13-F19 HydrophobicContact CE2-CD2 4.28Å; Y13-Y48 AromaticContact CD2-CD2 3.65Å; Y13-Y48 HydrophobicContact CD2-CD2 3.65Å; Y13-Y48 HydrophobicContact CD2-CE1 4.45Å; Y13-Y48 AromaticContact CD2-CE2 3.53Å; Y13-Y48 HydrophobicContact CD2-CE2 3.53Å; Y13-Y48 HydrophobicContact CD2-CG 4.18Å; Y13-Y48 AromaticContact CD2-CZ 3.93Å; Y13-Y48 HydrophobicContact CE2-CD2 4.2Å; Y13-Y48 HydrophobicContact CE2-CE2 4.33Å; Y13-Y48 HydrophobicContact CE2-CG 4.28Å; Y13-Y48 HydrophobicContact CG-CE2 4.46Å; Y13-Y50 PolarHBondContact OH-OH 3.34Å
14	D	59.5	Low	52.1	Low	42 Å²	42	81.3 Å²	81.3	23%	0.225	42%	0.417	C	S	.	.			trans	-70.6	172.8	167.3	65.1	20.2	0	0	0	111	Y12 S16 G17 V18 K20	Y12-D14 HydrophobicContact CE2-CB 4.43Å; D14-S16 PolarHBondContact O-N 2.91Å; D14-S16 WeakPolarHBondContact OD1-CA 3.4Å; D14-S16 VanDerWaalsContact OD1-CB 3.3Å; D14-S16 WeakPolarHBondContact OD1-CB 3.13Å; D14-S16 PolarHBondContact OD1-N 2.81Å; D14-G17 PolarHBondContact O-N 2.88Å; D14-G17 PolarHBondContact OD1-N 2.89Å; D14-G17 VanDerWaalsContact OD1-N 3.14Å; D14-V18 PolarHBondContact N-O 3.24Å; D14-V18 PolarHBondContact OD1-N 3.35Å; D14-K20 HydrophobicContact CB-CG 4.24Å; D14-K20 WeakPolarHBondContact OD2-CE 3.2Å; D14-K20 IonicContact OD2-NZ 2.73Å
15	D	53.2	Low	52	Low	182 Å²	182	78.5 Å²	78.5	97%	0.973	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.6	179	-61.1	-34.3	0	0	0	112.9
16	S	62.2	Low	51.6	Low	105 Å²	105	78.6 Å²	78.6	73%	0.734	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	0.1	176	-57	0	0	0	0	113.3	D14 V18	D14-S16 PolarHBondContact O-N 2.91Å; D14-S16 WeakPolarHBondContact OD1-CA 3.4Å; D14-S16 VanDerWaalsContact OD1-CB 3.3Å; D14-S16 WeakPolarHBondContact OD1-CB 3.13Å; D14-S16 PolarHBondContact OD1-N 2.81Å; S16-V18 VanDerWaalsContact C-N 3.3Å
17	G	51.6	Low	51.4	Low	50 Å²	50	81.3 Å²	81.3	52%	0.515	43%	0.432	S	S	.	.	S	Bend	trans	74.9	18.1	-178	0	0	0	0	0	113.8	Y13 D14	Y13-G17 VanDerWaalsContact CD1-C 3.43Å; Y13-G17 WeakPolarHBondContact CD1-O 3.47Å; Y13-G17 VanDerWaalsContact CE1-O 3.28Å; Y13-G17 WeakPolarHBondContact CE1-O 3.07Å; D14-G17 PolarHBondContact O-N 2.88Å; D14-G17 PolarHBondContact OD1-N 2.89Å; D14-G17 VanDerWaalsContact OD1-N 3.14Å
18	V	55.1	Low	51	Low	74 Å²	74	87.8 Å²	87.8	45%	0.448	45%	0.449	S	S	.	.			trans	-92.4	129.6	173.2	-179.5	0	0	0	0	109.5	Y13 D14 S16 K20	Y13-V18 WeakPolarHBondContact CA-O 3.27Å; Y13-V18 VanDerWaalsContact CD1-C 3.46Å; D14-V18 PolarHBondContact N-O 3.24Å; D14-V18 PolarHBondContact OD1-N 3.35Å; S16-V18 VanDerWaalsContact C-N 3.3Å; V18-K20 PolarHBondContact O-N 3.01Å
19	F	60.9	Low	50.7	Low	46 Å²	46	91.6 Å²	91.6	20%	0.202	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124	175	-179.7	-109	0	0	0	110.2	L9 G11 Y12 Y13 P21 Y50	L9-F19 HydrophobicContact CB-CE1 4.43Å; G11-F19 VanDerWaalsContact CA-CE2 3.5Å; Y12-F19 CarbonylContact O-C 3.54Å; Y12-F19 WeakPolarHBondContact O-CD2 3.36Å; Y13-F19 HydrophobicContact CD1-CB 4.14Å; Y13-F19 HydrophobicContact CD2-CD2 4.46Å; Y13-F19 HydrophobicContact CE1-CB 3.75Å; Y13-F19 HydrophobicContact CE2-CD2 4.28Å; F19-P21 HydrophobicContact CE1-CB 3.9Å; F19-P21 HydrophobicContact CE1-CG 4.49Å; F19-P21 HydrophobicContact CZ-CB 4.44Å; F19-Y50 HydrophobicContact CD1-CD2 4.32Å; F19-Y50 AromaticContact CD1-CE2 3.97Å; F19-Y50 HydrophobicContact CD1-CE2 3.97Å; F19-Y50 HydrophobicContact CD2-CD2 4.34Å; F19-Y50 AromaticContact CD2-CE2 3.61Å; F19-Y50 HydrophobicContact CD2-CE2 3.61Å; F19-Y50 AromaticContact CE1-CD2 3.77Å; F19-Y50 HydrophobicContact CE1-CD2 3.77Å; F19-Y50 AromaticContact CE1-CE2 3.86Å; F19-Y50 HydrophobicContact CE1-CE2 3.86Å; F19-Y50 AromaticContact CE2-CD2 3.79Å; F19-Y50 HydrophobicContact CE2-CD2 3.79Å; F19-Y50 AromaticContact CE2-CE2 3.47Å; F19-Y50 HydrophobicContact CE2-CE2 3.47Å; F19-Y50 VanDerWaalsContact CE2-CE2 3.47Å; F19-Y50 AromaticContact CG-CE2 3.84Å; F19-Y50 HydrophobicContact CG-CE2 3.84Å; F19-Y50 AromaticContact CZ-CD2 3.47Å; F19-Y50 HydrophobicContact CZ-CD2 3.47Å; F19-Y50 VanDerWaalsContact CZ-CD2 3.47Å; F19-Y50 AromaticContact CZ-CE2 3.61Å; F19-Y50 HydrophobicContact CZ-CE2 3.61Å
20	K	57.4	Low	50.1	Low	84 Å²	84	90.9 Å²	90.9	37%	0.365	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	102.5	173.9	-61.3	-59.9	179.9	-179.9	0	107.7	G11 Y12 D14 V18 W22	G11-K20 CarbonylContact C-O 3.59Å; G11-K20 WeakPolarHBondContact CA-O 3.36Å; Y12-K20 HydrophobicContact CD1-CB 3.88Å; Y12-K20 WeakPolarHBondContact CD1-O 3.44Å; Y12-K20 HydrophobicContact CD2-CB 4.39Å; Y12-K20 HydrophobicContact CE1-CB 3.5Å; Y12-K20 HydrophobicContact CE1-CG 4.39Å; Y12-K20 HydrophobicContact CE2-CB 4.03Å; Y12-K20 HydrophobicContact CE2-CG 4.13Å; Y12-K20 HydrophobicContact CG-CB 4.34Å; Y12-K20 PolarHBondContact N-O 2.83Å; Y12-K20 PolarHBondContact O-N 3.36Å; D14-K20 HydrophobicContact CB-CG 4.24Å; D14-K20 WeakPolarHBondContact OD2-CE 3.2Å; D14-K20 IonicContact OD2-NZ 2.73Å; V18-K20 PolarHBondContact O-N 3.01Å; K20-W22 PolarHBondContact O-N 3.28Å
21	P	57.2	Low	49.1	Very low	63 Å²	63	97.4 Å²	97.4	41%	0.409	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	135	170.7	26.8	-32.3	0	0	0	108.5	L9 V10 F19 M23	L9-P21 HydrophobicContact CD2-CB 4.39Å; V10-P21 CarbonylContact O-C 3.58Å; V10-P21 WeakPolarHBondContact O-CA 3.43Å; F19-P21 HydrophobicContact CE1-CB 3.9Å; F19-P21 HydrophobicContact CE1-CG 4.49Å; F19-P21 HydrophobicContact CZ-CB 4.44Å; P21-M23 PolarHBondContact O-N 3.28Å
22	W	54.6	Low	48.2	Very low	58 Å²	58	107.4 Å²	107.4	22%	0.22	53%	0.525	C	S	.	.	S	Bend	trans	-66.7	-19.6	168.9	-79.8	-20.9	0	0	0	112	V10 Y12 K20 I37 D40 I47	V10-W22 HydrophobicContact CB-CE3 4.48Å; V10-W22 HydrophobicContact CG1-CD2 4.47Å; V10-W22 HydrophobicContact CG1-CE3 3.53Å; V10-W22 HydrophobicContact CG1-CZ3 4Å; V10-W22 WeakPolarHBondContact O-CB 3.38Å; V10-W22 PolarHBondContact O-N 3.04Å; Y12-W22 AromaticContact CD1-CD1 3.32Å; Y12-W22 HydrophobicContact CD1-CG 4.4Å; Y12-W22 AromaticContact CD1-NE1 3.05Å; Y12-W22 AromaticContact CE1-CD1 3.55Å; Y12-W22 AromaticContact CE1-NE1 3.52Å; Y12-W22 AromaticContact CG-NE1 3.97Å; K20-W22 PolarHBondContact O-N 3.28Å; W22-I37 HydrophobicContact CE3-CD1 3.91Å; W22-I37 HydrophobicContact CE3-CG1 3.85Å; W22-I37 HydrophobicContact CH2-CB 4.24Å; W22-I37 HydrophobicContact CH2-CG1 4.13Å; W22-I37 HydrophobicContact CH2-CG2 4.49Å; W22-I37 HydrophobicContact CZ3-CB 3.81Å; W22-I37 HydrophobicContact CZ3-CD1 3.59Å; W22-I37 HydrophobicContact CZ3-CG1 3.3Å; W22-I37 HydrophobicContact CZ3-CG2 4.05Å; W22-D40 HydrophobicContact CH2-CB 4.03Å; W22-D40 HydrophobicContact CZ2-CB 3.97Å; W22-D40 WeakPolarHBondContact CZ2-OD2 3.46Å; W22-I47 HydrophobicContact CE3-CG2 4.38Å; W22-I47 HydrophobicContact CH2-CB 4.33Å; W22-I47 HydrophobicContact CH2-CD1 3.22Å; W22-I47 HydrophobicContact CH2-CG1 3.44Å; W22-I47 VanDerWaalsContact CH2-CG1 3.44Å; W22-I47 HydrophobicContact CH2-CG2 4.03Å; W22-I47 HydrophobicContact CZ2-CD1 4.34Å; W22-I47 HydrophobicContact CZ2-CG1 4.19Å; W22-I47 HydrophobicContact CZ3-CB 4.46Å; W22-I47 HydrophobicContact CZ3-CD1 3.57Å; W22-I47 HydrophobicContact CZ3-CG1 3.98Å; W22-I47 HydrophobicContact CZ3-CG2 3.69Å
23	M	49	Very low	48	Very low	38 Å²	38	105 Å²	105	19%	0.187	52%	0.519	C	S	.	.	S	Bend	trans	-127.9	122.6	-178.6	-70.4	-180	160.7	0	0	111.9	P21 Y29 D33	P21-M23 PolarHBondContact O-N 3.28Å; M23-Y29 HydrophobicContact CE-CD1 4.47Å; M23-D33 HydrophobicContact CE-CB 3.84Å; M23-D33 VanDerWaalsContact CE-CG 3.43Å; M23-D33 WeakPolarHBondContact CE-OD2 3.16Å
24	N	38.7	Very low	47.7	Very low	142 Å²	142	101.9 Å²	101.9	76%	0.759	51%	0.509	S	S	*	.			trans	-71.8	146.7	163.2	-149.4	0.7	0	0	0	108.2	D26	N24-D26 PolarHBondContact O-N 3.37Å
25	S	33.8	Very low	47.3	Very low	104 Å²	104	106.9 Å²	106.9	73%	0.727	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	12.4	-161.9	51.2	0	0	0	0	119.8
26	D	35.1	Very low	47.5	Very low	137 Å²	137	103.2 Å²	103.2	73%	0.733	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	2	-169.2	-79.1	-43.3	0	0	0	116.5	N24	N24-D26 PolarHBondContact O-N 3.37Å
27	Y	33.6	Very low	47.2	Very low	195 Å²	195	99 Å²	99	77%	0.765	47%	0.471	S	S	*	.			trans	-123.2	114.5	-168.1	-85.4	-93.9	0	0	0	116.1	Y29	Y27-Y29 PolarHBondContact O-N 3.33Å
28	R	38.5	Very low	47.4	Very low	239 Å²	239	99.4 Å²	99.4	90%	0.902	47%	0.466	S	S	*	.			trans	-37.4	128.6	157.8	-67.7	169.4	173.7	177.7	-2	111.6	S30	R28-S30 PolarHBondContact O-N 3.01Å
29	Y	44.5	Very low	47.5	Very low	108 Å²	108	99.4 Å²	99.4	42%	0.424	46%	0.463	S	S	.	.			trans	-38.4	104.6	171.6	-75.3	-89	0	0	0	112.7	M23 Y27	M23-Y29 HydrophobicContact CE-CD1 4.47Å; Y27-Y29 PolarHBondContact O-N 3.33Å
30	S	38	Very low	47.5	Very low	52 Å²	52	97.9 Å²	97.9	36%	0.364	46%	0.457	S	S	.	.			trans	-88.1	142.2	171.6	87.2	0	0	0	0	109	R28 R32 D33	R28-S30 PolarHBondContact O-N 3.01Å; S30-R32 PolarHBondContact O-N 3.43Å; S30-R32 PolarHBondContact OG-N 3.4Å; S30-D33 PolarHBondContact N-OD2 2.84Å; S30-D33 PolarHBondContact O-N 2.92Å; S30-D33 PolarHBondContact OG-OD2 2.79Å
31	Y	36.2	Very low	47.5	Very low	147 Å²	147	94.9 Å²	94.9	58%	0.576	45%	0.445	S	S	*	.	H	α-helix	trans	-57	-13.6	175.2	-179.9	-94.4	0	0	0	113.7	S34 R35	Y31-S34 PolarHBondContact O-OG 2.83Å; Y31-R35 PolarHBondContact OH-NH2 3.32Å
32	R	39	Very low	47.4	Very low	210 Å²	210	99.8 Å²	99.8	79%	0.792	46%	0.456	S	S	*	.	H	α-helix	trans	-68.8	-34.8	171.9	-92.1	-178	173	-178.9	-1.8	112.4	S30 Q36	S30-R32 PolarHBondContact O-N 3.43Å; S30-R32 PolarHBondContact OG-N 3.4Å; R32-Q36 PolarHBondContact O-N 2.81Å
33	D	52.8	Low	47.4	Very low	43 Å²	43	105 Å²	105	23%	0.23	48%	0.476	C	S	.	.	H	α-helix	trans	-71.2	-40.3	-172.8	-56.7	-50.4	0	0	0	110.3	M23 S30 R35 Q36 I37	M23-D33 HydrophobicContact CE-CB 3.84Å; M23-D33 VanDerWaalsContact CE-CG 3.43Å; M23-D33 WeakPolarHBondContact CE-OD2 3.16Å; S30-D33 PolarHBondContact N-OD2 2.84Å; S30-D33 PolarHBondContact O-N 2.92Å; S30-D33 PolarHBondContact OG-OD2 2.79Å; D33-R35 VanDerWaalsContact C-N 3.35Å; D33-R35 PolarHBondContact O-N 3.42Å; D33-Q36 WeakPolarHBondContact O-CA 3.41Å; D33-Q36 WeakPolarHBondContact O-CB 3.33Å; D33-Q36 PolarHBondContact O-N 3.04Å; D33-I37 WeakPolarHBondContact O-CG1 3.27Å; D33-I37 PolarHBondContact O-N 2.96Å
34	S	50	Low	47.4	Very low	20 Å²	20	106.2 Å²	106.2	14%	0.14	50%	0.498	C	S	.	.	H	α-helix	trans	-62.5	-34.4	179.8	63.7	0	0	0	0	114.2	Y31 S38	Y31-S34 PolarHBondContact O-OG 2.83Å; S34-S38 WeakPolarHBondContact O-CB 3.42Å; S34-S38 PolarHBondContact O-N 2.89Å
35	R	52.6	Low	47.9	Very low	147 Å²	147	104.5 Å²	104.5	56%	0.555	48%	0.484	S	S	*	.	H	α-helix	trans	-66.7	-41.8	172.5	-70.2	-174.7	-179	-175	-2.2	111.2	Y31 D33 S38 D39	Y31-R35 PolarHBondContact OH-NH2 3.32Å; D33-R35 VanDerWaalsContact C-N 3.35Å; D33-R35 PolarHBondContact O-N 3.42Å; R35-S38 WeakPolarHBondContact O-CB 3.46Å; R35-S38 PolarHBondContact O-N 2.9Å; R35-D39 PolarHBondContact O-N 2.82Å
36	Q	56.3	Low	48.7	Very low	105 Å²	105	107.5 Å²	107.5	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-66.5	-39.1	177.4	-168.8	165.4	15.3	0	0	112.1	R32 D33 S38 D39 D40	R32-Q36 PolarHBondContact O-N 2.81Å; D33-Q36 WeakPolarHBondContact O-CA 3.41Å; D33-Q36 WeakPolarHBondContact O-CB 3.33Å; D33-Q36 PolarHBondContact O-N 3.04Å; Q36-S38 VanDerWaalsContact C-N 3.34Å; Q36-S38 PolarHBondContact O-N 3.14Å; Q36-D39 PolarHBondContact O-N 3.45Å; Q36-D40 WeakPolarHBondContact O-CB 3.37Å; Q36-D40 PolarHBondContact O-N 3.24Å
37	I	55.6	Low	49.5	Very low	17 Å²	17	101 Å²	101	9%	0.087	45%	0.445	C	S	.	.	H	α-helix	trans	-56.8	-48.9	170.2	-54	-150.4	0	0	0	110.1	V10 W22 D33 D40 L41 I47 M88	V10-I37 HydrophobicContact CG1-CD1 4.27Å; W22-I37 HydrophobicContact CE3-CD1 3.91Å; W22-I37 HydrophobicContact CE3-CG1 3.85Å; W22-I37 HydrophobicContact CH2-CB 4.24Å; W22-I37 HydrophobicContact CH2-CG1 4.13Å; W22-I37 HydrophobicContact CH2-CG2 4.49Å; W22-I37 HydrophobicContact CZ3-CB 3.81Å; W22-I37 HydrophobicContact CZ3-CD1 3.59Å; W22-I37 HydrophobicContact CZ3-CG1 3.3Å; W22-I37 HydrophobicContact CZ3-CG2 4.05Å; D33-I37 WeakPolarHBondContact O-CG1 3.27Å; D33-I37 PolarHBondContact O-N 2.96Å; I37-D40 PolarHBondContact O-N 3.15Å; I37-L41 HydrophobicContact CG2-CD1 4.2Å; I37-L41 WeakPolarHBondContact O-CG 3.41Å; I37-L41 PolarHBondContact O-N 3.23Å; I37-I47 HydrophobicContact CB-CD1 4.24Å; I37-I47 HydrophobicContact CG2-CD1 3.42Å; I37-I47 VanDerWaalsContact CG2-CD1 3.42Å; I37-M88 HydrophobicContact CB-CE 4.39Å; I37-M88 HydrophobicContact CG2-CE 3.9Å; I37-M88 HydrophobicContact CG2-SD 4.36Å
38	S	56.7	Low	50.5	Low	59 Å²	59	93 Å²	93	41%	0.413	41%	0.413	S	S	.	.	H	α-helix	trans	-63.9	-43.8	-178.9	-166.5	0	0	0	0	112.4	S34 R35 Q36 R42	S34-S38 WeakPolarHBondContact O-CB 3.42Å; S34-S38 PolarHBondContact O-N 2.89Å; R35-S38 WeakPolarHBondContact O-CB 3.46Å; R35-S38 PolarHBondContact O-N 2.9Å; Q36-S38 VanDerWaalsContact C-N 3.34Å; Q36-S38 PolarHBondContact O-N 3.14Å; S38-R42 VanDerWaalsContact O-CB 3.31Å; S38-R42 WeakPolarHBondContact O-CB 3.19Å; S38-R42 PolarHBondContact O-N 3.29Å
39	D	57.8	Low	51.1	Low	73 Å²	73	81.8 Å²	81.8	39%	0.39	37%	0.372	S	S	.	.	H	α-helix	trans	-65.7	-45.6	177.8	-74.3	-23.7	0	0	0	110.4	R35 Q36 L41 R42 Y43	R35-D39 PolarHBondContact O-N 2.82Å; Q36-D39 PolarHBondContact O-N 3.45Å; D39-L41 VanDerWaalsContact C-N 3.35Å; D39-L41 PolarHBondContact O-N 2.99Å; D39-R42 CarbonylContact O-C 3.56Å; D39-R42 WeakPolarHBondContact O-CA 3.28Å; D39-R42 WeakPolarHBondContact O-CB 3.11Å; D39-R42 PolarHBondContact O-N 2.93Å; D39-Y43 HydrophobicContact CB-CD2 4.3Å; D39-Y43 HydrophobicContact CB-CE2 4.21Å; D39-Y43 WeakPolarHBondContact O-CD2 3.33Å; D39-Y43 PolarHBondContact O-N 3.3Å
40	D	59.3	Low	51.5	Low	14 Å²	14	78.1 Å²	78.1	8%	0.075	36%	0.357	C	S	.	.	H	α-helix	trans	-62.7	-40.3	179.6	-81.1	-5.2	0	0	0	111.8	W22 Q36 I37 Y43 G44 K45	W22-D40 HydrophobicContact CH2-CB 4.03Å; W22-D40 HydrophobicContact CZ2-CB 3.97Å; W22-D40 WeakPolarHBondContact CZ2-OD2 3.46Å; Q36-D40 WeakPolarHBondContact O-CB 3.37Å; Q36-D40 PolarHBondContact O-N 3.24Å; I37-D40 PolarHBondContact O-N 3.15Å; D40-Y43 PolarHBondContact O-N 3.08Å; D40-G44 PolarHBondContact O-N 3.37Å; D40-K45 HydrophobicContact CB-CB 4.1Å; D40-K45 HydrophobicContact CB-CD 3.85Å; D40-K45 HydrophobicContact CB-CG 4.4Å; D40-K45 VanDerWaalsContact CG-NZ 3.32Å; D40-K45 WeakPolarHBondContact O-CA 3.16Å; D40-K45 VanDerWaalsContact O-CB 3.26Å; D40-K45 WeakPolarHBondContact O-CB 3.34Å; D40-K45 PolarHBondContact O-N 2.93Å; D40-K45 WeakPolarHBondContact OD1-CE 3.38Å; D40-K45 IonicContact OD1-NZ 2.79Å; D40-K45 PolarHBondContact OD1-NZ 3.35Å; D40-K45 IonicContact OD2-NZ 3.55Å; D40-K45 PolarHBondContact OD2-NZ 2.73Å
41	L	57.8	Low	52	Low	22 Å²	22	76.8 Å²	76.8	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-44.6	170	-72.5	171	0	0	0	112	I37 D39 Y43 G44 I47 M88 L91	I37-L41 HydrophobicContact CG2-CD1 4.2Å; I37-L41 WeakPolarHBondContact O-CG 3.41Å; I37-L41 PolarHBondContact O-N 3.23Å; D39-L41 VanDerWaalsContact C-N 3.35Å; D39-L41 PolarHBondContact O-N 2.99Å; L41-Y43 PolarHBondContact O-N 2.91Å; L41-G44 PolarHBondContact O-N 2.95Å; L41-I47 HydrophobicContact CD1-CD1 3.93Å; L41-I47 HydrophobicContact CD2-CB 4.46Å; L41-I47 HydrophobicContact CD2-CD1 3.57Å; L41-I47 HydrophobicContact CD2-CG1 3.84Å; L41-I47 HydrophobicContact CG-CD1 3.39Å; L41-I47 HydrophobicContact CG-CG1 4.18Å; L41-M88 HydrophobicContact CD1-CE 4.33Å; L41-L91 HydrophobicContact CD1-CD2 3.81Å
42	R	55.3	Low	52.5	Low	165 Å²	165	72.7 Å²	72.7	62%	0.623	33%	0.332	S	S	*	.	H	α-helix	trans	-61.5	-33.8	179.1	-173.8	-179	-178.8	-174.3	0.3	112.2	S38 D39 G44	S38-R42 VanDerWaalsContact O-CB 3.31Å; S38-R42 WeakPolarHBondContact O-CB 3.19Å; S38-R42 PolarHBondContact O-N 3.29Å; D39-R42 CarbonylContact O-C 3.56Å; D39-R42 WeakPolarHBondContact O-CA 3.28Å; D39-R42 WeakPolarHBondContact O-CB 3.11Å; D39-R42 PolarHBondContact O-N 2.93Å; R42-G44 VanDerWaalsContact C-N 3.26Å; R42-G44 PolarHBondContact O-N 3.04Å
43	Y	55.2	Low	52.7	Low	168 Å²	168	63.7 Å²	63.7	66%	0.659	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	10.8	175.4	-67.4	-64.5	0	0	0	113.5	D39 D40 L41 K45	D39-Y43 HydrophobicContact CB-CD2 4.3Å; D39-Y43 HydrophobicContact CB-CE2 4.21Å; D39-Y43 WeakPolarHBondContact O-CD2 3.33Å; D39-Y43 PolarHBondContact O-N 3.3Å; D40-Y43 PolarHBondContact O-N 3.08Å; L41-Y43 PolarHBondContact O-N 2.91Å; Y43-K45 VanDerWaalsContact C-N 3.34Å; Y43-K45 PolarHBondContact O-N 3.37Å
44	G	48.8	Very low	52.3	Low	63 Å²	63	66.7 Å²	66.7	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	13.5	173.4	0	0	0	0	0	114.8	D40 L41 R42	D40-G44 PolarHBondContact O-N 3.37Å; L41-G44 PolarHBondContact O-N 2.95Å; R42-G44 VanDerWaalsContact C-N 3.26Å; R42-G44 PolarHBondContact O-N 3.04Å
45	K	49.4	Very low	51.8	Low	107 Å²	107	69.1 Å²	69.1	47%	0.465	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-72.8	141.5	173.3	-62	-174.7	-172.7	162.1	0	110.1	D40 Y43	D40-K45 HydrophobicContact CB-CB 4.1Å; D40-K45 HydrophobicContact CB-CD 3.85Å; D40-K45 HydrophobicContact CB-CG 4.4Å; D40-K45 VanDerWaalsContact CG-NZ 3.32Å; D40-K45 WeakPolarHBondContact O-CA 3.16Å; D40-K45 VanDerWaalsContact O-CB 3.26Å; D40-K45 WeakPolarHBondContact O-CB 3.34Å; D40-K45 PolarHBondContact O-N 2.93Å; D40-K45 WeakPolarHBondContact OD1-CE 3.38Å; D40-K45 IonicContact OD1-NZ 2.79Å; D40-K45 PolarHBondContact OD1-NZ 3.35Å; D40-K45 IonicContact OD2-NZ 3.55Å; D40-K45 PolarHBondContact OD2-NZ 2.73Å; Y43-K45 VanDerWaalsContact C-N 3.34Å; Y43-K45 PolarHBondContact O-N 3.37Å
46	R	50.8	Low	51.6	Low	166 Å²	166	66.5 Å²	66.5	63%	0.626	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-86.5	122.4	176.3	-64.4	-179.2	-177.4	177.5	1.7	109.3	Y48	R46-Y48 HydrophobicContact CB-CE2 3.68Å; R46-Y48 WeakPolarHBondContact CD-OH 2.8Å; R46-Y48 WeakPolarHBondContact O-CE2 3.19Å
47	I	52	Low	51	Low	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.1	175.7	-53.9	179.3	0	0	0	108.3	V10 W22 I37 L41 I108	V10-I47 HydrophobicContact CG1-CG2 3.82Å; W22-I47 HydrophobicContact CE3-CG2 4.38Å; W22-I47 HydrophobicContact CH2-CB 4.33Å; W22-I47 HydrophobicContact CH2-CD1 3.22Å; W22-I47 HydrophobicContact CH2-CG1 3.44Å; W22-I47 VanDerWaalsContact CH2-CG1 3.44Å; W22-I47 HydrophobicContact CH2-CG2 4.03Å; W22-I47 HydrophobicContact CZ2-CD1 4.34Å; W22-I47 HydrophobicContact CZ2-CG1 4.19Å; W22-I47 HydrophobicContact CZ3-CB 4.46Å; W22-I47 HydrophobicContact CZ3-CD1 3.57Å; W22-I47 HydrophobicContact CZ3-CG1 3.98Å; W22-I47 HydrophobicContact CZ3-CG2 3.69Å; I37-I47 HydrophobicContact CB-CD1 4.24Å; I37-I47 HydrophobicContact CG2-CD1 3.42Å; I37-I47 VanDerWaalsContact CG2-CD1 3.42Å; L41-I47 HydrophobicContact CD1-CD1 3.93Å; L41-I47 HydrophobicContact CD2-CB 4.46Å; L41-I47 HydrophobicContact CD2-CD1 3.57Å; L41-I47 HydrophobicContact CD2-CG1 3.84Å; L41-I47 HydrophobicContact CG-CD1 3.39Å; L41-I47 HydrophobicContact CG-CG1 4.18Å; I47-I108 HydrophobicContact CB-CD1 4.39Å; I47-I108 HydrophobicContact CG2-CD1 4.11Å; I47-I108 PolarHBondContact O-N 3.31Å
48	Y	53.1	Low	50.4	Low	26 Å²	26	67.6 Å²	67.6	10%	0.102	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.9	176.4	-54.6	-87.9	0	0	0	108.3	G11 Y13 R46 R105 V106 D107	G11-Y48 PolarHBondContact N-O 2.99Å; G11-Y48 PolarHBondContact O-N 3.02Å; Y13-Y48 AromaticContact CD2-CD2 3.65Å; Y13-Y48 HydrophobicContact CD2-CD2 3.65Å; Y13-Y48 HydrophobicContact CD2-CE1 4.45Å; Y13-Y48 AromaticContact CD2-CE2 3.53Å; Y13-Y48 HydrophobicContact CD2-CE2 3.53Å; Y13-Y48 HydrophobicContact CD2-CG 4.18Å; Y13-Y48 AromaticContact CD2-CZ 3.93Å; Y13-Y48 HydrophobicContact CE2-CD2 4.2Å; Y13-Y48 HydrophobicContact CE2-CE2 4.33Å; Y13-Y48 HydrophobicContact CE2-CG 4.28Å; Y13-Y48 HydrophobicContact CG-CE2 4.46Å; R46-Y48 HydrophobicContact CB-CE2 3.68Å; R46-Y48 WeakPolarHBondContact CD-OH 2.8Å; R46-Y48 WeakPolarHBondContact O-CE2 3.19Å; Y48-R105 HydrophobicContact CD1-CG 3.6Å; Y48-R105 HydrophobicContact CE1-CG 4.32Å; Y48-R105 HydrophobicContact CG-CG 4.45Å; Y48-V106 WeakPolarHBondContact CA-O 3.1Å; Y48-D107 WeakPolarHBondContact CD1-OD1 3.42Å; Y48-D107 WeakPolarHBondContact CE1-OD1 3.2Å
49	I	52.8	Low	49.7	Very low	4 Å²	4	66.5 Å²	66.5	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.5	166.7	-57.6	172.6	0	0	0	106.7	D8 V10 R51 L83 V106 I108	D8-I49 HydrophobicContact CB-CG2 4.49Å; V10-I49 HydrophobicContact CG1-CG1 4.13Å; V10-I49 HydrophobicContact CG2-CG1 4.13Å; V10-I49 HydrophobicContact CG2-CG2 4.38Å; I49-R51 HydrophobicContact CG2-CG 3.54Å; I49-L83 HydrophobicContact CD1-CD1 4.24Å; I49-V106 HydrophobicContact CB-CB 4.16Å; I49-V106 PolarHBondContact N-O 3.25Å; I49-V106 VanDerWaalsContact O-CB 3.27Å; I49-V106 WeakPolarHBondContact O-CB 3.24Å; I49-V106 WeakPolarHBondContact O-CG2 3.5Å; I49-V106 PolarHBondContact O-N 2.73Å; I49-I108 HydrophobicContact CD1-CD1 3.26Å; I49-I108 HydrophobicContact CD1-CG1 4.17Å; I49-I108 HydrophobicContact CG1-CD1 3.66Å; I49-I108 HydrophobicContact CG1-CG1 4.45Å
50	Y	52	Low	48.7	Very low	31 Å²	31	70.4 Å²	70.4	12%	0.122	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.4	161.5	-68.8	-78.4	0	0	0	108.8	D8 L9 Y13 F19 L103 Q104 R105	D8-Y50 CarbonylContact C-O 3.05Å; D8-Y50 WeakPolarHBondContact CA-O 3.42Å; L9-Y50 PolarHBondContact N-O 3.29Å; L9-Y50 PolarHBondContact O-N 3.2Å; Y13-Y50 PolarHBondContact OH-OH 3.34Å; F19-Y50 HydrophobicContact CD1-CD2 4.32Å; F19-Y50 AromaticContact CD1-CE2 3.97Å; F19-Y50 HydrophobicContact CD1-CE2 3.97Å; F19-Y50 HydrophobicContact CD2-CD2 4.34Å; F19-Y50 AromaticContact CD2-CE2 3.61Å; F19-Y50 HydrophobicContact CD2-CE2 3.61Å; F19-Y50 AromaticContact CE1-CD2 3.77Å; F19-Y50 HydrophobicContact CE1-CD2 3.77Å; F19-Y50 AromaticContact CE1-CE2 3.86Å; F19-Y50 HydrophobicContact CE1-CE2 3.86Å; F19-Y50 AromaticContact CE2-CD2 3.79Å; F19-Y50 HydrophobicContact CE2-CD2 3.79Å; F19-Y50 AromaticContact CE2-CE2 3.47Å; F19-Y50 HydrophobicContact CE2-CE2 3.47Å; F19-Y50 VanDerWaalsContact CE2-CE2 3.47Å; F19-Y50 AromaticContact CG-CE2 3.84Å; F19-Y50 HydrophobicContact CG-CE2 3.84Å; F19-Y50 AromaticContact CZ-CD2 3.47Å; F19-Y50 HydrophobicContact CZ-CD2 3.47Å; F19-Y50 VanDerWaalsContact CZ-CD2 3.47Å; F19-Y50 AromaticContact CZ-CE2 3.61Å; F19-Y50 HydrophobicContact CZ-CE2 3.61Å; Y50-L103 HydrophobicContact CD1-CB 3.69Å; Y50-L103 HydrophobicContact CE1-CB 4.44Å; Y50-L103 HydrophobicContact CG-CB 4.31Å; Y50-Q104 WeakPolarHBondContact CA-O 2.99Å; Y50-R105 HydrophobicContact CE1-CB 4.09Å
51	R	49.1	Very low	47.5	Very low	24 Å²	24	78 Å²	78	9%	0.091	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.5	173	-61.1	-156.6	171.5	142	1.4	109.3	D8 I49 Y53 Q104	D8-R51 WeakPolarHBondContact OD1-CG 3.44Å; D8-R51 IonicContact OD2-CZ 3.57Å; D8-R51 IonicContact OD2-NE 2.84Å; D8-R51 PolarHBondContact OD2-NE 2.84Å; I49-R51 HydrophobicContact CG2-CG 3.54Å; R51-Y53 HydrophobicContact CB-CD2 3.97Å; R51-Y53 HydrophobicContact CB-CE2 3.55Å; R51-Y53 HydrophobicContact CG-CE2 4.45Å; R51-Q104 PolarHBondContact O-N 2.87Å
52	D	46.6	Very low	46.2	Very low	61 Å²	61	80.5 Å²	80.5	33%	0.326	41%	0.408	S	S	.	.			trans	-86	114.6	161.7	-167.5	14.6	0	0	0	108.2	N7	N7-D52 HydrophobicContact CB-CB 4.22Å
53	Y	43.7	Very low	45	Very low	22 Å²	22	78.6 Å²	78.6	9%	0.086	42%	0.415	C	S	.	.			trans	-97.8	118.9	-177.9	-77.9	-79.5	0	0	0	108.8	R51 S55 P57 A100 Q104	R51-Y53 HydrophobicContact CB-CD2 3.97Å; R51-Y53 HydrophobicContact CB-CE2 3.55Å; R51-Y53 HydrophobicContact CG-CE2 4.45Å; Y53-S55 WeakPolarHBondContact CB-O 3.42Å; Y53-S55 PolarHBondContact O-N 3.46Å; Y53-P57 HydrophobicContact CD1-CB 4.09Å; Y53-P57 HydrophobicContact CD1-CG 3.98Å; Y53-P57 HydrophobicContact CD2-CG 4.21Å; Y53-P57 HydrophobicContact CE1-CB 3.71Å; Y53-P57 HydrophobicContact CE1-CG 3.8Å; Y53-P57 HydrophobicContact CE2-CG 4.01Å; Y53-P57 HydrophobicContact CG-CG 4.18Å; Y53-A100 CarbonylContact O-C 3.38Å; Y53-A100 VanDerWaalsContact O-CA 3.27Å; Y53-A100 WeakPolarHBondContact O-CA 3.5Å; Y53-A100 WeakPolarHBondContact O-CB 3.36Å; Y53-Q104 HydrophobicContact CD2-CB 4.26Å; Y53-Q104 HydrophobicContact CD2-CG 3.82Å; Y53-Q104 HydrophobicContact CE2-CB 3.97Å; Y53-Q104 VanDerWaalsContact CE2-CD 3.42Å; Y53-Q104 HydrophobicContact CE2-CG 3.95Å
54	T	42.7	Very low	43.6	Very low	106 Å²	106	79 Å²	79	65%	0.65	42%	0.416	S	S	*	.	S	Bend	trans	-70.8	-11.6	170.3	54.9	0	0	0	0	113
55	S	41.4	Very low	42.5	Very low	71 Å²	71	80.9 Å²	80.9	50%	0.497	42%	0.419	S	S	.	.	S	Bend	trans	-151.6	150.5	175.7	58.1	0	0	0	0	111.5	Y53 P57 A100	Y53-S55 WeakPolarHBondContact CB-O 3.42Å; Y53-S55 PolarHBondContact O-N 3.46Å; S55-P57 WeakPolarHBondContact O-CD 3.41Å; S55-A100 VanDerWaalsContact C-CB 3.48Å
56	T	47.5	Very low	41.4	Very low	92 Å²	92	79.8 Å²	79.8	56%	0.564	42%	0.423	S	S	*	.			trans	-63	122.6	-176.3	-59	0	0	0	0	110.8
57	P	44.3	Very low	40.1	Very low	26 Å²	26	76.7 Å²	76.7	17%	0.169	43%	0.427	C	S	.	.			trans	-65.9	137.7	-177.7	22.1	-30.9	0	0	0	112	Y53 S55 Y59	Y53-P57 HydrophobicContact CD1-CB 4.09Å; Y53-P57 HydrophobicContact CD1-CG 3.98Å; Y53-P57 HydrophobicContact CD2-CG 4.21Å; Y53-P57 HydrophobicContact CE1-CB 3.71Å; Y53-P57 HydrophobicContact CE1-CG 3.8Å; Y53-P57 HydrophobicContact CE2-CG 4.01Å; Y53-P57 HydrophobicContact CG-CG 4.18Å; S55-P57 WeakPolarHBondContact O-CD 3.41Å; P57-Y59 HydrophobicContact CG-CE1 4.25Å; P57-Y59 HydrophobicContact CG-CE2 3.97Å; P57-Y59 WeakPolarHBondContact CG-OH 3.5Å; P57-Y59 WeakPolarHBondContact O-CD2 3.43Å; P57-Y59 WeakPolarHBondContact O-CE2 3.34Å; P57-Y59 PolarHBondContact O-N 2.73Å
58	S	42.5	Very low	39	Very low	118 Å²	118	86.5 Å²	86.5	83%	0.825	47%	0.465	S	S	*	.			trans	-76.4	111.6	171.9	-68.9	0	0	0	0	109.7
59	Y	41.9	Very low	37.7	Very low	36 Å²	36	93.9 Å²	93.9	14%	0.141	51%	0.506	C	S	.	.			trans	-91.9	137.9	179	-60.3	-82.4	0	0	0	111.3	P57 R75 Q104	P57-Y59 HydrophobicContact CG-CE1 4.25Å; P57-Y59 HydrophobicContact CG-CE2 3.97Å; P57-Y59 WeakPolarHBondContact CG-OH 3.5Å; P57-Y59 WeakPolarHBondContact O-CD2 3.43Å; P57-Y59 WeakPolarHBondContact O-CE2 3.34Å; P57-Y59 PolarHBondContact O-N 2.73Å; Y59-R75 VanDerWaalsContact CB-CD 3.41Å; Y59-R75 HydrophobicContact CD1-CB 3.39Å; Y59-R75 HydrophobicContact CD1-CG 4.26Å; Y59-R75 HydrophobicContact CE1-CB 4.04Å; Y59-R75 HydrophobicContact CG-CB 3.71Å; Y59-R75 HydrophobicContact CG-CG 4.16Å; Y59-Q104 PolarHBondContact OH-OE1 3.31Å
60	Y	37.6	Very low	36.4	Very low	155 Å²	155	103.5 Å²	103.5	61%	0.608	54%	0.544	S	S	*	.			trans	-88.5	123.6	169.9	-73.1	-90.7	0	0	0	109.9	S62	Y60-S62 PolarHBondContact O-N 3.49Å
61	Q	34	Very low	35.4	Very low	174 Å²	174	108.9 Å²	108.9	81%	0.813	58%	0.58	S	S	*	*			trans	-85	97.3	172.1	-169.7	172.7	0.5	0	0	108.8
62	S	30.6	Very low	34.7	Very low	74 Å²	74	110.3 Å²	110.3	52%	0.517	59%	0.593	S	S	.	*			trans	-98.6	100.7	167.3	178.9	0	0	0	0	108.2	Y60 Y64	Y60-S62 PolarHBondContact O-N 3.49Å; S62-Y64 PolarHBondContact O-N 3.4Å
63	T	28.6	Very low	34.3	Very low	126 Å²	126	110.8 Å²	110.8	77%	0.773	60%	0.6	S	S	*	*			trans	-68	94.5	168.8	34.5	0	0	0	0	109.5
64	Y	26.8	Very low	34.1	Very low	177 Å²	177	111.2 Å²	111.2	69%	0.694	60%	0.604	S	S	*	*			trans	-114.8	106.4	161.6	-156.2	-92	0	0	0	107.2	S62 P66	S62-Y64 PolarHBondContact O-N 3.4Å; Y64-P66 HydrophobicContact CD1-CG 4.21Å; Y64-P66 HydrophobicContact CE1-CG 3.9Å
65	S	25.7	Very low	33.9	Very low	102 Å²	102	111.9 Å²	111.9	71%	0.713	59%	0.594	S	S	*	*			trans	-134	99.5	175.6	-166.6	0	0	0	0	109.6
66	P	25.9	Very low	33.7	Very low	84 Å²	84	112.4 Å²	112.4	55%	0.545	59%	0.585	S	S	.	*	S	Bend	trans	-89.1	101.2	150.3	23.3	-7.1	0	0	0	107.5	Y64 Y68	Y64-P66 HydrophobicContact CD1-CG 4.21Å; Y64-P66 HydrophobicContact CE1-CG 3.9Å; P66-Y68 PolarHBondContact O-N 2.72Å
67	S	24.2	Very low	33.4	Very low	100 Å²	100	109 Å²	109	70%	0.699	56%	0.563	S	S	*	*	S	Bend	trans	48.5	63.8	148.1	58.2	0	0	0	0	118
68	Y	27.2	Very low	33.2	Very low	208 Å²	208	115.4 Å²	115.4	82%	0.816	58%	0.583	S	S	*	*			trans	-149.4	126.6	150.1	-81.2	-79.4	0	0	0	108.7	P66 Y70	P66-Y68 PolarHBondContact O-N 2.72Å; Y68-Y70 PolarHBondContact O-N 2.71Å
69	N	26	Very low	33.1	Very low	180 Å²	180	110.5 Å²	110.5	96%	0.963	55%	0.549	S	S	*	.			trans	-71.3	51.4	-176.6	-84	-26.3	0	0	0	113.8
70	Y	26.5	Very low	33	Very low	206 Å²	206	115.8 Å²	115.8	81%	0.808	57%	0.57	S	S	*	*			trans	-121.4	93.8	172	-127.9	-93.8	0	0	0	108.7	Y68 S72	Y68-Y70 PolarHBondContact O-N 2.71Å; Y70-S72 PolarHBondContact O-N 2.92Å
71	V	31.6	Very low	32.8	Very low	145 Å²	145	110.4 Å²	110.4	88%	0.879	56%	0.562	S	S	*	*			trans	-72	85.7	168.3	-175	0	0	0	0	106.8
72	S	34.3	Very low	33	Very low	53 Å²	53	104.8 Å²	104.8	37%	0.371	54%	0.541	S	S	.	.			trans	-68.4	127.9	173.9	-153.8	0	0	0	0	108.2	Y70 L74	Y70-S72 PolarHBondContact O-N 2.92Å; S72-L74 PolarHBondContact O-N 2.96Å; S72-L74 WeakPolarHBondContact OG-CD1 3.4Å; S72-L74 WeakPolarHBondContact OG-CG 3.18Å
73	P	37.9	Very low	33.5	Very low	71 Å²	71	102.2 Å²	102.2	46%	0.461	52%	0.522	S	S	.	.			trans	-68	9.3	175.7	29.3	-35.9	0	0	0	113.2	R75 Y96	P73-R75 PolarHBondContact O-N 3.02Å; P73-Y96 HydrophobicContact CB-CD1 4.23Å; P73-Y96 HydrophobicContact CB-CE1 4.06Å; P73-Y96 HydrophobicContact CG-CD1 3.82Å; P73-Y96 HydrophobicContact CG-CE1 3.17Å
74	L	38.8	Very low	33.9	Very low	32 Å²	32	98.5 Å²	98.5	17%	0.168	50%	0.501	C	S	.	.			trans	-76.6	108.5	-174.7	-76	-174	0	0	0	110.4	S72 Y94 Y96	S72-L74 PolarHBondContact O-N 2.96Å; S72-L74 WeakPolarHBondContact OG-CD1 3.4Å; S72-L74 WeakPolarHBondContact OG-CG 3.18Å; L74-Y94 HydrophobicContact CB-CD1 3.46Å; L74-Y94 VanDerWaalsContact CB-CD1 3.46Å; L74-Y94 HydrophobicContact CB-CD2 4.46Å; L74-Y94 HydrophobicContact CB-CE1 4.26Å; L74-Y94 HydrophobicContact CB-CG 3.57Å; L74-Y94 HydrophobicContact CD1-CD1 4.41Å; L74-Y94 HydrophobicContact CD1-CD2 3.93Å; L74-Y94 HydrophobicContact CD1-CG 3.75Å; L74-Y94 HydrophobicContact CG-CD1 4.47Å; L74-Y94 HydrophobicContact CG-CG 4.1Å; L74-Y94 WeakPolarHBondContact O-CD1 2.93Å; L74-Y96 HydrophobicContact CD2-CD2 4.05Å; L74-Y96 HydrophobicContact CD2-CE2 3.74Å
75	R	38.2	Very low	34.4	Very low	119 Å²	119	96.7 Å²	96.7	45%	0.449	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.8	178.7	-61.9	-171.3	-178.1	-143.4	0.4	110.6	Y59 P73 F77 S95 S97	Y59-R75 VanDerWaalsContact CB-CD 3.41Å; Y59-R75 HydrophobicContact CD1-CB 3.39Å; Y59-R75 HydrophobicContact CD1-CG 4.26Å; Y59-R75 HydrophobicContact CE1-CB 4.04Å; Y59-R75 HydrophobicContact CG-CB 3.71Å; Y59-R75 HydrophobicContact CG-CG 4.16Å; P73-R75 PolarHBondContact O-N 3.02Å; R75-F77 PolarHBondContact O-N 2.72Å; R75-S95 PolarHBondContact N-O 3.45Å; R75-S95 PolarHBondContact O-N 3.03Å; R75-S97 WeakPolarHBondContact CD-OG 3.43Å; R75-S97 PolarHBondContact NE-OG 3.39Å; R75-S97 VanDerWaalsContact NE-OG 3.11Å
76	R	38.6	Very low	35.1	Very low	83 Å²	83	96 Å²	96	31%	0.313	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	124.3	174.5	-167.7	178.2	-173.1	173.8	9.6	109.1	Y92 G93 D111	R76-Y92 HydrophobicContact CG-CD1 3.95Å; R76-Y92 VanDerWaalsContact NE-CE1 3.27Å; R76-Y92 VanDerWaalsContact NH2-CD2 3.33Å; R76-G93 WeakPolarHBondContact CA-O 3.3Å; R76-D111 IonicContact NH2-OD2 3.63Å
77	F	41.1	Very low	35.6	Very low	20 Å²	20	94.8 Å²	94.8	9%	0.088	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149	164.6	69.1	-81.3	0	0	0	109.7	R75 G93 V106	R75-F77 PolarHBondContact O-N 2.72Å; F77-G93 WeakPolarHBondContact CD1-O 3.32Å; F77-G93 VanDerWaalsContact CE1-N 3.31Å; F77-G93 WeakPolarHBondContact CE1-O 3.47Å; F77-G93 PolarHBondContact N-O 2.99Å; F77-V106 HydrophobicContact CD1-CG1 3.85Å; F77-V106 HydrophobicContact CE1-CB 4.39Å; F77-V106 HydrophobicContact CE1-CG1 2.94Å; F77-V106 HydrophobicContact CE2-CG1 4.26Å; F77-V106 HydrophobicContact CZ-CG1 3.2Å
78	R	39.7	Very low	36.5	Very low	160 Å²	160	91.5 Å²	91.5	60%	0.604	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.9	166	-155	178.4	-164.1	-177.8	2.5	105.9	Y80	R78-Y80 HydrophobicContact CB-CD2 4.46Å; R78-Y80 HydrophobicContact CB-CE2 3.9Å; R78-Y80 WeakPolarHBondContact O-CD2 3.26Å; R78-Y80 PolarHBondContact O-N 3.05Å
79	S	40.2	Very low	37.2	Very low	16 Å²	16	88.5 Å²	88.5	11%	0.112	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-62.4	123.7	169.1	-172.5	0	0	0	0	108.6
80	Y	38.8	Very low	37.9	Very low	147 Å²	147	82.6 Å²	82.6	58%	0.576	43%	0.433	S	S	*	.			trans	-108.7	120	173.5	-71	-83	0	0	0	107.8	R78 S82	R78-Y80 HydrophobicContact CB-CD2 4.46Å; R78-Y80 HydrophobicContact CB-CE2 3.9Å; R78-Y80 WeakPolarHBondContact O-CD2 3.26Å; R78-Y80 PolarHBondContact O-N 3.05Å; Y80-S82 PolarHBondContact O-N 3.49Å
81	G	34.5	Very low	38.7	Very low	42 Å²	42	73.2 Å²	73.2	43%	0.433	40%	0.397	S	S	.	.	S	Bend	trans	91.1	-83.4	166.3	0	0	0	0	0	115.9	L83 S84 D85	G81-L83 PolarHBondContact O-N 2.98Å; G81-S84 WeakPolarHBondContact O-CB 3.49Å; G81-S84 PolarHBondContact O-N 3.34Å; G81-D85 PolarHBondContact O-N 3.17Å
82	S	38.3	Very low	39.4	Very low	55 Å²	55	68.7 Å²	68.7	39%	0.385	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-24.8	-156.8	69.8	0	0	0	0	116.4	Y80 Y86	Y80-S82 PolarHBondContact O-N 3.49Å; S82-Y86 VanDerWaalsContact O-CD2 3.24Å; S82-Y86 WeakPolarHBondContact O-CD2 3.48Å; S82-Y86 WeakPolarHBondContact O-CE2 3.18Å
83	L	40	Very low	39.9	Very low	21 Å²	21	66.2 Å²	66.2	11%	0.11	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-19.2	175.3	-70.5	151.3	0	0	0	112.2	I49 G81 D85 Y86 M88 L91	I49-L83 HydrophobicContact CD1-CD1 4.24Å; G81-L83 PolarHBondContact O-N 2.98Å; L83-D85 VanDerWaalsContact C-N 3.32Å; L83-Y86 PolarHBondContact O-N 3.24Å; L83-M88 WeakPolarHBondContact O-CB 3.48Å; L83-L91 HydrophobicContact CB-CD1 3.89Å; L83-L91 HydrophobicContact CD1-CD1 3.69Å; L83-L91 HydrophobicContact CD2-CD1 3.66Å; L83-L91 HydrophobicContact CG-CD1 3.93Å
84	S	36.4	Very low	40.3	Very low	48 Å²	48	67.6 Å²	67.6	34%	0.336	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-70.9	-30.9	178.1	-46.3	0	0	0	0	111.5	G81 Y86 G87	G81-S84 WeakPolarHBondContact O-CB 3.49Å; G81-S84 PolarHBondContact O-N 3.34Å; S84-Y86 PolarHBondContact O-N 3.46Å; S84-G87 PolarHBondContact O-N 3.28Å
85	D	38.5	Very low	40.6	Very low	138 Å²	138	66.1 Å²	66.1	74%	0.738	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66.2	-12.8	176.8	-68.7	-25	0	0	0	113.6	G81 L83	G81-D85 PolarHBondContact O-N 3.17Å; L83-D85 VanDerWaalsContact C-N 3.32Å
86	Y	39.5	Very low	40.9	Very low	88 Å²	88	65.3 Å²	65.3	35%	0.345	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-103.4	16	179	-64.7	-80.7	0	0	0	113.9	S82 L83 S84 M88	S82-Y86 VanDerWaalsContact O-CD2 3.24Å; S82-Y86 WeakPolarHBondContact O-CD2 3.48Å; S82-Y86 WeakPolarHBondContact O-CE2 3.18Å; L83-Y86 PolarHBondContact O-N 3.24Å; S84-Y86 PolarHBondContact O-N 3.46Å; Y86-M88 PolarHBondContact O-N 3.36Å
87	G	37.5	Very low	41.2	Very low	58 Å²	58	64.4 Å²	64.4	60%	0.598	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	5.1	-179.7	0	0	0	0	0	114.3	S84 N89	S84-G87 PolarHBondContact O-N 3.28Å; G87-N89 VanDerWaalsContact C-N 3.31Å; G87-N89 PolarHBondContact O-N 3.3Å
88	M	43.7	Very low	41.2	Very low	31 Å²	31	69.4 Å²	69.4	15%	0.153	36%	0.359	C	S	.	.			trans	-82.9	79.7	173.2	-65.2	-173.8	144.2	0	0	109.2	I37 L41 L83 Y86 S90 L91	I37-M88 HydrophobicContact CB-CE 4.39Å; I37-M88 HydrophobicContact CG2-CE 3.9Å; I37-M88 HydrophobicContact CG2-SD 4.36Å; L41-M88 HydrophobicContact CD1-CE 4.33Å; L83-M88 WeakPolarHBondContact O-CB 3.48Å; Y86-M88 PolarHBondContact O-N 3.36Å; M88-S90 PolarHBondContact O-N 3.4Å; M88-L91 HydrophobicContact CB-CD1 4.26Å; M88-L91 HydrophobicContact CB-CG 4.15Å; M88-L91 HydrophobicContact SD-CD1 3.75Å; M88-L91 HydrophobicContact SD-CD2 4.19Å; M88-L91 HydrophobicContact SD-CG 4.25Å
89	N	40.8	Very low	41.2	Very low	145 Å²	145	65.5 Å²	65.5	78%	0.775	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-5.7	-172.2	-83	-31	0	0	0	115.3	G87	G87-N89 VanDerWaalsContact C-N 3.31Å; G87-N89 PolarHBondContact O-N 3.3Å
90	S	40.3	Very low	41.3	Very low	57 Å²	57	66.3 Å²	66.3	40%	0.399	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-167.8	67.9	-174.8	-82.3	0	0	0	0	112.5	M88 Y92	M88-S90 PolarHBondContact O-N 3.4Å; S90-Y92 VanDerWaalsContact CB-CE2 3.42Å; S90-Y92 PolarHBondContact O-N 2.96Å; S90-Y92 PolarHBondContact OG-OH 2.96Å
91	L	44.4	Very low	41.1	Very low	8 Å²	8	63.7 Å²	63.7	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	111.2	162.4	-66.4	172.8	0	0	0	108.3	L41 L83 M88 I108	L41-L91 HydrophobicContact CD1-CD2 3.81Å; L83-L91 HydrophobicContact CB-CD1 3.89Å; L83-L91 HydrophobicContact CD1-CD1 3.69Å; L83-L91 HydrophobicContact CD2-CD1 3.66Å; L83-L91 HydrophobicContact CG-CD1 3.93Å; M88-L91 HydrophobicContact CB-CD1 4.26Å; M88-L91 HydrophobicContact CB-CG 4.15Å; M88-L91 HydrophobicContact SD-CD1 3.75Å; M88-L91 HydrophobicContact SD-CD2 4.19Å; M88-L91 HydrophobicContact SD-CG 4.25Å; L91-I108 HydrophobicContact CB-CG2 3.87Å; L91-I108 HydrophobicContact CD1-CG2 4.45Å; L91-I108 HydrophobicContact CD2-CG2 3.51Å; L91-I108 HydrophobicContact CG-CG2 4.1Å
92	Y	44.9	Very low	41.4	Very low	50 Å²	50	65.8 Å²	65.8	20%	0.196	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.9	169.4	-62.3	-68.1	0	0	0	108.1	R76 S90 Y109 D111	R76-Y92 HydrophobicContact CG-CD1 3.95Å; R76-Y92 VanDerWaalsContact NE-CE1 3.27Å; R76-Y92 VanDerWaalsContact NH2-CD2 3.33Å; S90-Y92 VanDerWaalsContact CB-CE2 3.42Å; S90-Y92 PolarHBondContact O-N 2.96Å; S90-Y92 PolarHBondContact OG-OH 2.96Å; Y92-Y109 PolarHBondContact O-N 3.4Å; Y92-D111 HydrophobicContact CD2-CB 3.7Å; Y92-D111 HydrophobicContact CE2-CB 4.21Å
93	G	46.2	Very low	41.8	Very low	2 Å²	2	67.4 Å²	67.4	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	177.6	170.7	0	0	0	0	0	112.6	R76 F77 D107	R76-G93 WeakPolarHBondContact CA-O 3.3Å; F77-G93 WeakPolarHBondContact CD1-O 3.32Å; F77-G93 VanDerWaalsContact CE1-N 3.31Å; F77-G93 WeakPolarHBondContact CE1-O 3.47Å; F77-G93 PolarHBondContact N-O 2.99Å; G93-D107 CarbonylContact C-O 3.55Å; G93-D107 WeakPolarHBondContact CA-O 3.29Å
94	Y	45.6	Very low	42.2	Very low	99 Å²	99	66.4 Å²	66.4	39%	0.388	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.2	-168.3	-74.5	-52.4	0	0	0	108.9	L74 D107 Y109	L74-Y94 HydrophobicContact CB-CD1 3.46Å; L74-Y94 VanDerWaalsContact CB-CD1 3.46Å; L74-Y94 HydrophobicContact CB-CD2 4.46Å; L74-Y94 HydrophobicContact CB-CE1 4.26Å; L74-Y94 HydrophobicContact CB-CG 3.57Å; L74-Y94 HydrophobicContact CD1-CD1 4.41Å; L74-Y94 HydrophobicContact CD1-CD2 3.93Å; L74-Y94 HydrophobicContact CD1-CG 3.75Å; L74-Y94 HydrophobicContact CG-CD1 4.47Å; L74-Y94 HydrophobicContact CG-CG 4.1Å; L74-Y94 WeakPolarHBondContact O-CD1 2.93Å; Y94-D107 PolarHBondContact N-O 3.21Å; Y94-D107 PolarHBondContact O-N 3.49Å; Y94-Y109 AromaticContact CD2-CD2 3.82Å; Y94-Y109 HydrophobicContact CD2-CD2 3.82Å; Y94-Y109 AromaticContact CD2-CE2 3.44Å; Y94-Y109 HydrophobicContact CD2-CE2 3.44Å; Y94-Y109 VanDerWaalsContact CD2-CE2 3.44Å; Y94-Y109 HydrophobicContact CE2-CD2 4.1Å; Y94-Y109 HydrophobicContact CE2-CE2 4.01Å; Y94-Y109 HydrophobicContact CG-CE2 4.47Å
95	S	45.7	Very low	42.8	Very low	2 Å²	2	68.6 Å²	68.6	1%	0.014	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.9	175.2	-165.3	0	0	0	0	111.4	R75 R105	R75-S95 PolarHBondContact N-O 3.45Å; R75-S95 PolarHBondContact O-N 3.03Å; S95-R105 WeakPolarHBondContact CA-O 3.38Å; S95-R105 WeakPolarHBondContact CB-O 3.33Å; S95-R105 PolarHBondContact OG-O 3.3Å
96	Y	44.6	Very low	43.4	Very low	102 Å²	102	62 Å²	62	40%	0.4	33%	0.328	S	S	.	.			trans	-76.6	130.2	168.1	-75.6	-96.1	0	0	0	108.9	P73 L74 R98	P73-Y96 HydrophobicContact CB-CD1 4.23Å; P73-Y96 HydrophobicContact CB-CE1 4.06Å; P73-Y96 HydrophobicContact CG-CD1 3.82Å; P73-Y96 HydrophobicContact CG-CE1 3.17Å; L74-Y96 HydrophobicContact CD2-CD2 4.05Å; L74-Y96 HydrophobicContact CD2-CE2 3.74Å; Y96-R98 PolarHBondContact O-N 2.85Å
97	S	44.9	Very low	43.9	Very low	63 Å²	63	58.4 Å²	58.4	44%	0.441	32%	0.315	S	S	.	.			trans	-60.2	107.3	172.9	-43.2	0	0	0	0	109.6	R75	R75-S97 WeakPolarHBondContact CD-OG 3.43Å; R75-S97 PolarHBondContact NE-OG 3.39Å; R75-S97 VanDerWaalsContact NE-OG 3.11Å
98	R	41.2	Very low	44.5	Very low	126 Å²	126	56 Å²	56	48%	0.475	29%	0.288	S	S	.	.			trans	-121.8	154.9	173.6	-68	-171.6	173.2	-163.1	-1.6	110.5	Y96 Q102 Q104	Y96-R98 PolarHBondContact O-N 2.85Å; R98-Q102 HydrophobicContact CB-CB 4.41Å; R98-Q104 HydrophobicContact CB-CG 4.21Å; R98-Q104 PolarHBondContact O-NE2 3.06Å
99	P	40.2	Very low	44.7	Very low	77 Å²	77	59.1 Å²	59.1	50%	0.5	30%	0.299	S	S	.	.			trans	-54.2	154.8	174.4	-22.7	32.9	0	0	0	112.4	S101 Q102	P99-S101 PolarHBondContact O-N 2.87Å; P99-Q102 PolarHBondContact O-N 3.32Å
100	A	40.8	Very low	44.9	Very low	34 Å²	34	56 Å²	56	28%	0.281	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	44	-177.7	0	0	0	0	0	114.3	Y53 S55	Y53-A100 CarbonylContact O-C 3.38Å; Y53-A100 VanDerWaalsContact O-CA 3.27Å; Y53-A100 WeakPolarHBondContact O-CA 3.5Å; Y53-A100 WeakPolarHBondContact O-CB 3.36Å; S55-A100 VanDerWaalsContact C-CB 3.48Å
101	S	35.6	Very low	45.1	Very low	92 Å²	92	57.3 Å²	57.3	64%	0.643	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157	14.8	-177.2	56.6	0	0	0	0	112	P99	P99-S101 PolarHBondContact O-N 2.87Å
102	Q	40.2	Very low	44.9	Very low	86 Å²	86	60.5 Å²	60.5	40%	0.402	31%	0.305	S	S	.	.	S	Bend	trans	-132.6	135.7	-177	-65.1	-172.2	-11.7	0	0	109.3	R98 P99 Q104	R98-Q102 HydrophobicContact CB-CB 4.41Å; P99-Q102 PolarHBondContact O-N 3.32Å; Q102-Q104 WeakPolarHBondContact O-CG 3.31Å; Q102-Q104 PolarHBondContact O-N 3.05Å
103	L	46.1	Very low	44.6	Very low	88 Å²	88	67.1 Å²	67.1	46%	0.461	33%	0.329	S	S	.	.			trans	-53.3	113.8	170.5	-69.8	167.6	0	0	0	109.2	Y50	Y50-L103 HydrophobicContact CD1-CB 3.69Å; Y50-L103 HydrophobicContact CE1-CB 4.44Å; Y50-L103 HydrophobicContact CG-CB 4.31Å
104	Q	49.1	Very low	44	Very low	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121	179.4	-66.3	-165.3	-0.2	0	0	109.9	Y50 R51 Y53 Y59 R98 Q102 V106	Y50-Q104 WeakPolarHBondContact CA-O 2.99Å; R51-Q104 PolarHBondContact O-N 2.87Å; Y53-Q104 HydrophobicContact CD2-CB 4.26Å; Y53-Q104 HydrophobicContact CD2-CG 3.82Å; Y53-Q104 HydrophobicContact CE2-CB 3.97Å; Y53-Q104 VanDerWaalsContact CE2-CD 3.42Å; Y53-Q104 HydrophobicContact CE2-CG 3.95Å; Y59-Q104 PolarHBondContact OH-OE1 3.31Å; R98-Q104 HydrophobicContact CB-CG 4.21Å; R98-Q104 PolarHBondContact O-NE2 3.06Å; Q102-Q104 WeakPolarHBondContact O-CG 3.31Å; Q102-Q104 PolarHBondContact O-N 3.05Å; Q104-V106 PolarHBondContact O-N 2.76Å
105	R	49.7	Very low	43.3	Very low	94 Å²	94	76 Å²	76	36%	0.355	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.2	169.8	-167	-176.6	90	-160.5	2.7	108.9	Y48 Y50 S95 D107	Y48-R105 HydrophobicContact CD1-CG 3.6Å; Y48-R105 HydrophobicContact CE1-CG 4.32Å; Y48-R105 HydrophobicContact CG-CG 4.45Å; Y50-R105 HydrophobicContact CE1-CB 4.09Å; S95-R105 WeakPolarHBondContact CA-O 3.38Å; S95-R105 WeakPolarHBondContact CB-O 3.33Å; S95-R105 PolarHBondContact OG-O 3.3Å; R105-D107 IonicContact CZ-OD1 2.99Å; R105-D107 IonicContact CZ-OD2 3.54Å; R105-D107 IonicContact NE-OD1 3.75Å; R105-D107 PolarHBondContact NE-OD1 3Å; R105-D107 IonicContact NE-OD2 3.5Å; R105-D107 IonicContact NH2-OD1 3.31Å; R105-D107 IonicContact NH2-OD2 3.94Å; R105-D107 PolarHBondContact NH2-OD2 2.89Å
106	V	49.8	Very low	42.3	Very low	0 Å²	0	86.2 Å²	86.2	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	107.6	177.7	-176.5	0	0	0	0	108.6	Y48 I49 F77 Q104 I108	Y48-V106 WeakPolarHBondContact CA-O 3.1Å; I49-V106 HydrophobicContact CB-CB 4.16Å; I49-V106 PolarHBondContact N-O 3.25Å; I49-V106 VanDerWaalsContact O-CB 3.27Å; I49-V106 WeakPolarHBondContact O-CB 3.24Å; I49-V106 WeakPolarHBondContact O-CG2 3.5Å; I49-V106 PolarHBondContact O-N 2.73Å; F77-V106 HydrophobicContact CD1-CG1 3.85Å; F77-V106 HydrophobicContact CE1-CB 4.39Å; F77-V106 HydrophobicContact CE1-CG1 2.94Å; F77-V106 HydrophobicContact CE2-CG1 4.26Å; F77-V106 HydrophobicContact CZ-CG1 3.2Å; Q104-V106 PolarHBondContact O-N 2.76Å; V106-I108 PolarHBondContact O-N 2.86Å
107	D	50	Low	41.4	Very low	12 Å²	12	90.8 Å²	90.8	6%	0.064	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110.5	178.8	-59.4	-18.8	0	0	0	108.2	Y48 G93 Y94 R105 Y109	Y48-D107 WeakPolarHBondContact CD1-OD1 3.42Å; Y48-D107 WeakPolarHBondContact CE1-OD1 3.2Å; G93-D107 CarbonylContact C-O 3.55Å; G93-D107 WeakPolarHBondContact CA-O 3.29Å; Y94-D107 PolarHBondContact N-O 3.21Å; Y94-D107 PolarHBondContact O-N 3.49Å; R105-D107 IonicContact CZ-OD1 2.99Å; R105-D107 IonicContact CZ-OD2 3.54Å; R105-D107 IonicContact NE-OD1 3.75Å; R105-D107 PolarHBondContact NE-OD1 3Å; R105-D107 IonicContact NE-OD2 3.5Å; R105-D107 IonicContact NH2-OD1 3.31Å; R105-D107 IonicContact NH2-OD2 3.94Å; R105-D107 PolarHBondContact NH2-OD2 2.89Å; D107-Y109 HydrophobicContact CB-CE2 3.6Å; D107-Y109 WeakPolarHBondContact O-CD2 3.45Å; D107-Y109 WeakPolarHBondContact O-CE2 3.04Å
108	I	50.2	Low	40.5	Very low	8 Å²	8	97.5 Å²	97.5	4%	0.041	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.9	179.5	-52.8	171.6	0	0	0	111	I47 I49 L91 V106	I47-I108 HydrophobicContact CB-CD1 4.39Å; I47-I108 HydrophobicContact CG2-CD1 4.11Å; I47-I108 PolarHBondContact O-N 3.31Å; I49-I108 HydrophobicContact CD1-CD1 3.26Å; I49-I108 HydrophobicContact CD1-CG1 4.17Å; I49-I108 HydrophobicContact CG1-CD1 3.66Å; I49-I108 HydrophobicContact CG1-CG1 4.45Å; L91-I108 HydrophobicContact CB-CG2 3.87Å; L91-I108 HydrophobicContact CD1-CG2 4.45Å; L91-I108 HydrophobicContact CD2-CG2 3.51Å; L91-I108 HydrophobicContact CG-CG2 4.1Å; V106-I108 PolarHBondContact O-N 2.86Å
109	Y	48.4	Very low	40	Very low	97 Å²	97	105.9 Å²	105.9	38%	0.38	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.3	173.5	-57.6	-93.7	0	0	0	109.7	Y92 Y94 D107	Y92-Y109 PolarHBondContact O-N 3.4Å; Y94-Y109 AromaticContact CD2-CD2 3.82Å; Y94-Y109 HydrophobicContact CD2-CD2 3.82Å; Y94-Y109 AromaticContact CD2-CE2 3.44Å; Y94-Y109 HydrophobicContact CD2-CE2 3.44Å; Y94-Y109 VanDerWaalsContact CD2-CE2 3.44Å; Y94-Y109 HydrophobicContact CE2-CD2 4.1Å; Y94-Y109 HydrophobicContact CE2-CE2 4.01Å; Y94-Y109 HydrophobicContact CG-CE2 4.47Å; D107-Y109 HydrophobicContact CB-CE2 3.6Å; D107-Y109 WeakPolarHBondContact O-CD2 3.45Å; D107-Y109 WeakPolarHBondContact O-CE2 3.04Å
110	D	45.3	Very low	40	Very low	78 Å²	78	107.3 Å²	107.3	42%	0.417	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	110.6	165.3	-173.6	-1.6	0	0	0	108.6	T112	D110-T112 VanDerWaalsContact C-N 3.27Å; D110-T112 WeakPolarHBondContact OD1-CB 3.46Å; D110-T112 VanDerWaalsContact OD1-CG2 3.29Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.49Å; D110-T112 PolarHBondContact OD1-N 3.44Å; D110-T112 PolarHBondContact OD1-OG1 3.17Å; D110-T112 PolarHBondContact OD2-OG1 3.41Å
111	D	44.6	Very low	39.9	Very low	86 Å²	86	111.2 Å²	111.2	46%	0.46	49%	0.493	S	S	.	.			trans	-93.3	24	175.7	-167.7	17	0	0	0	111.3	R76 Y92 R113	R76-D111 IonicContact NH2-OD2 3.63Å; Y92-D111 HydrophobicContact CD2-CB 3.7Å; Y92-D111 HydrophobicContact CE2-CB 4.21Å; D111-R113 PolarHBondContact O-N 2.94Å
112	T	39.5	Very low	40.2	Very low	75 Å²	75	112.2 Å²	112.2	46%	0.46	49%	0.485	S	S	.	.			trans	-64.7	101.8	164.4	49.9	0	0	0	0	108.5	D110 Y114	D110-T112 VanDerWaalsContact C-N 3.27Å; D110-T112 WeakPolarHBondContact OD1-CB 3.46Å; D110-T112 VanDerWaalsContact OD1-CG2 3.29Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.49Å; D110-T112 PolarHBondContact OD1-N 3.44Å; D110-T112 PolarHBondContact OD1-OG1 3.17Å; D110-T112 PolarHBondContact OD2-OG1 3.41Å; T112-Y114 PolarHBondContact O-N 2.95Å
113	R	38	Very low	40.2	Very low	188 Å²	188	113.8 Å²	113.8	71%	0.709	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	19.2	167.7	-81.1	-175.8	173.7	-174.7	-0.8	114.7	D111	D111-R113 PolarHBondContact O-N 2.94Å
114	Y	33.7	Very low	39.8	Very low	197 Å²	197	115.4 Å²	115.4	77%	0.773	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.1	13.5	-164.1	-71.9	-75.2	0	0	0	116.6	T112 R116	T112-Y114 PolarHBondContact O-N 2.95Å; Y114-R116 PolarHBondContact O-N 3.48Å
115	S	31.1	Very low	39.2	Very low	90 Å²	90	123.1 Å²	123.1	63%	0.629	53%	0.525	S	S	*	.			trans	-77.9	43.1	169.3	31.1	0	0	0	0	112.8	Y117	S115-Y117 VanDerWaalsContact C-N 3.31Å; S115-Y117 PolarHBondContact O-N 3.41Å
116	R	25.9	Very low	38.4	Very low	217 Å²	217	125.1 Å²	125.1	82%	0.819	54%	0.537	S	S	*	.			trans	-82.6	80.1	154.4	-84.7	-175.4	175.3	175.5	-1	107.7	Y114	Y114-R116 PolarHBondContact O-N 3.48Å
117	Y	25.9	Very low	37.6	Very low	199 Å²	199	134.8 Å²	134.8	78%	0.78	58%	0.578	S	S	*	*			trans	-102.3	87.5	154.3	-77.9	-79.5	0	0	0	107.4	S115 Y119	S115-Y117 VanDerWaalsContact C-N 3.31Å; S115-Y117 PolarHBondContact O-N 3.41Å; Y117-Y119 PolarHBondContact O-N 3.18Å
118	Y	24.8	Very low	36.5	Very low	203 Å²	203	145 Å²	145	80%	0.796	62%	0.621	S	S	*	*			trans	-75.5	98.8	154.9	-82.6	-91.4	0	0	0	106.8
119	Y	30.8	Very low	35.3	Very low	302 Å²	302	157.5 Å²	157.5	100%	1.184	67%	0.674	S	S	*	*			trans	177.6	0	135.7	-116.5	-85.6	0	0	0	109.5	Y117	Y117-Y119 PolarHBondContact O-N 3.18Å

Retrieved 119 of 119 residues in 31.1 ms (Link to these results)

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