A0A077ZBP2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 aa.

						>A0A077ZBP2_TRITR|A0A077ZBP2
MILSYWLAKVYPKAVEDIICVGLPTLMDDIMGCALDGRDVKPDKCFRKRTRNRRDHPLEYVVLAHQKSGSFESFHFDSALKISRRAICNSRNSTDTSALALTSLSRTNETWCRFYAFYPVSDYWRQL
					

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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	41.1	Very low	46.7	Very low	217 Å²	217	84.6 Å²	84.6	100%	1.069	41%	0.406	S	S	*	.				0	51.7	0	-164.3	-176.8	66.9	0	0	111.3
2	I	44.5	Very low	46.6	Very low	136 Å²	136	85.3 Å²	85.3	70%	0.697	42%	0.422	S	S	*	.			trans	-133.6	-42.7	-175.1	-66.7	173	0	0	0	110.4	W6	I2-W6 WeakPolarHBondContact O-CB 3.35Å; I2-W6 PolarHBondContact O-N 3.49Å; I2-W6 VanDerWaalsContact O-N 3.13Å
3	L	45.6	Very low	46.3	Very low	24 Å²	24	92.4 Å²	92.4	13%	0.126	45%	0.449	C	S	.	.	H	α-helix	trans	-69.4	-45.3	-175.7	-177.2	64.8	0	0	0	113.7	Y5 W6 L7 V21 L23 M27 V62	L3-Y5 PolarHBondContact O-N 3.16Å; L3-W6 PolarHBondContact O-N 3.16Å; L3-L7 HydrophobicContact CD1-CD1 4.16Å; L3-L7 HydrophobicContact CD1-CG 4.14Å; L3-L7 HydrophobicContact CD2-CD1 4.49Å; L3-L7 HydrophobicContact CG-CD1 3.9Å; L3-L7 HydrophobicContact CG-CG 4.29Å; L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 VanDerWaalsContact O-CG 3.28Å; L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.49Å; L3-V21 HydrophobicContact CD2-CG1 4.44Å; L3-L23 HydrophobicContact CD1-CD2 4.43Å; L3-L23 HydrophobicContact CD2-CD1 3.29Å; L3-L23 HydrophobicContact CD2-CD2 3.7Å; L3-L23 HydrophobicContact CD2-CG 4.13Å; L3-M27 HydrophobicContact CB-CE 4.06Å; L3-M27 HydrophobicContact CD1-CE 4.21Å; L3-M27 HydrophobicContact CD2-CE 4.43Å; L3-M27 HydrophobicContact CG-CE 4.47Å; L3-V62 HydrophobicContact CD2-CG2 3.92Å
4	S	41.9	Very low	46.1	Very low	31 Å²	31	86.8 Å²	86.8	22%	0.217	43%	0.425	C	S	.	.	H	α-helix	trans	-58.9	-46.9	178.9	43.2	0	0	0	0	112.6	W6 L7 A8 F71	S4-W6 PolarHBondContact O-N 3.44Å; S4-L7 PolarHBondContact O-N 3.49Å; S4-A8 WeakPolarHBondContact O-CB 3.33Å; S4-A8 PolarHBondContact O-N 3.09Å; S4-F71 VanDerWaalsContact CB-CD2 3.41Å; S4-F71 VanDerWaalsContact O-CZ 3.29Å; S4-F71 WeakPolarHBondContact O-CZ 2.82Å
5	Y	41.8	Very low	45.8	Very low	163 Å²	163	83.1 Å²	83.1	64%	0.639	41%	0.41	S	S	*	.	H	α-helix	trans	-61.9	-42.5	176.1	-180	-98.1	0	0	0	112.1	L3 A8 K9	L3-Y5 PolarHBondContact O-N 3.16Å; Y5-A8 PolarHBondContact O-N 2.85Å; Y5-K9 HydrophobicContact CE1-CD 4.35Å; Y5-K9 VanDerWaalsContact O-CB 3.32Å; Y5-K9 WeakPolarHBondContact O-CB 3.39Å; Y5-K9 PolarHBondContact O-N 2.66Å
6	W	49.6	Very low	45.4	Very low	67 Å²	67	85.5 Å²	85.5	25%	0.254	42%	0.419	S	S	.	.	H	α-helix	trans	-68	-41.3	177.9	-169.1	87.4	0	0	0	112.1	I2 L3 S4 K9 V10 Y11 I30 P42	I2-W6 WeakPolarHBondContact O-CB 3.35Å; I2-W6 PolarHBondContact O-N 3.49Å; I2-W6 VanDerWaalsContact O-N 3.13Å; L3-W6 PolarHBondContact O-N 3.16Å; S4-W6 PolarHBondContact O-N 3.44Å; W6-K9 PolarHBondContact O-N 3.5Å; W6-V10 HydrophobicContact CD2-CB 4.5Å; W6-V10 HydrophobicContact CD2-CG2 3.66Å; W6-V10 VanDerWaalsContact CE2-CG2 3.45Å; W6-V10 HydrophobicContact CE3-CB 4.38Å; W6-V10 HydrophobicContact CE3-CG2 4Å; W6-V10 HydrophobicContact CG-CG2 4.24Å; W6-V10 HydrophobicContact CH2-CB 4.46Å; W6-V10 HydrophobicContact CH2-CG1 4.26Å; W6-V10 HydrophobicContact CH2-CG2 3.97Å; W6-V10 HydrophobicContact CZ2-CG2 3.64Å; W6-V10 HydrophobicContact CZ3-CB 4.35Å; W6-V10 HydrophobicContact CZ3-CG1 4.43Å; W6-V10 HydrophobicContact CZ3-CG2 4.14Å; W6-V10 WeakPolarHBondContact O-CB 3.32Å; W6-V10 WeakPolarHBondContact O-CG2 3.37Å; W6-V10 PolarHBondContact O-N 3.44Å; W6-Y11 HydrophobicContact CZ3-CE2 4.35Å; W6-I30 HydrophobicContact CD2-CG2 4.47Å; W6-I30 HydrophobicContact CE3-CG2 4.03Å; W6-I30 HydrophobicContact CH2-CG2 3.64Å; W6-I30 HydrophobicContact CZ2-CG2 4.1Å; W6-I30 HydrophobicContact CZ3-CG2 3.6Å; W6-P42 HydrophobicContact CH2-CB 4.41Å
7	L	49.7	Very low	45	Very low	5 Å²	5	84.2 Å²	84.2	3%	0.026	42%	0.415	C	S	.	.	H	α-helix	trans	-62.8	-42.7	175.4	-72.7	173.7	0	0	0	111.7	L3 S4 K9 Y11 I19 V21	L3-L7 HydrophobicContact CD1-CD1 4.16Å; L3-L7 HydrophobicContact CD1-CG 4.14Å; L3-L7 HydrophobicContact CD2-CD1 4.49Å; L3-L7 HydrophobicContact CG-CD1 3.9Å; L3-L7 HydrophobicContact CG-CG 4.29Å; L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 VanDerWaalsContact O-CG 3.28Å; L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.49Å; S4-L7 PolarHBondContact O-N 3.49Å; L7-K9 VanDerWaalsContact C-N 3.3Å; L7-K9 PolarHBondContact O-N 2.82Å; L7-Y11 HydrophobicContact CD2-CD2 3.93Å; L7-Y11 HydrophobicContact CD2-CE2 3.95Å; L7-Y11 WeakPolarHBondContact O-CA 3.5Å; L7-Y11 WeakPolarHBondContact O-CB 3.43Å; L7-Y11 PolarHBondContact O-N 3.19Å; L7-I19 HydrophobicContact CB-CD1 4.01Å; L7-I19 HydrophobicContact CD1-CB 4.41Å; L7-I19 HydrophobicContact CD1-CD1 4.27Å; L7-I19 HydrophobicContact CD1-CG2 4.14Å; L7-I19 HydrophobicContact CD2-CD1 4.19Å; L7-I19 HydrophobicContact CD2-CG2 4.13Å; L7-I19 HydrophobicContact CG-CD1 4.38Å; L7-V21 HydrophobicContact CD1-CG2 3.99Å
8	A	48.4	Very low	44.9	Very low	34 Å²	34	80.5 Å²	80.5	28%	0.281	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-39.2	173.2	0	0	0	0	0	112.4	S4 Y5 P12 V15 F71	S4-A8 WeakPolarHBondContact O-CB 3.33Å; S4-A8 PolarHBondContact O-N 3.09Å; Y5-A8 PolarHBondContact O-N 2.85Å; A8-P12 WeakPolarHBondContact O-CA 3.35Å; A8-V15 HydrophobicContact CB-CG2 4.45Å; A8-F71 HydrophobicContact CB-CZ 4.08Å
9	K	49.8	Very low	44.9	Very low	151 Å²	151	76.9 Å²	76.9	66%	0.657	38%	0.379	S	S	*	.	H	α-helix	trans	-73.8	-40.3	-178.9	-172.2	177	-179.5	178.5	0	112.9	Y5 W6 L7	Y5-K9 HydrophobicContact CE1-CD 4.35Å; Y5-K9 VanDerWaalsContact O-CB 3.32Å; Y5-K9 WeakPolarHBondContact O-CB 3.39Å; Y5-K9 PolarHBondContact O-N 2.66Å; W6-K9 PolarHBondContact O-N 3.5Å; L7-K9 VanDerWaalsContact C-N 3.3Å; L7-K9 PolarHBondContact O-N 2.82Å
10	V	51.2	Low	44.8	Very low	43 Å²	43	75.2 Å²	75.2	26%	0.261	37%	0.374	S	S	.	.	H	α-helix	trans	-83.1	-32.6	-177.4	175.1	0	0	0	0	111.8	W6 P12 P42	W6-V10 HydrophobicContact CD2-CB 4.5Å; W6-V10 HydrophobicContact CD2-CG2 3.66Å; W6-V10 VanDerWaalsContact CE2-CG2 3.45Å; W6-V10 HydrophobicContact CE3-CB 4.38Å; W6-V10 HydrophobicContact CE3-CG2 4Å; W6-V10 HydrophobicContact CG-CG2 4.24Å; W6-V10 HydrophobicContact CH2-CB 4.46Å; W6-V10 HydrophobicContact CH2-CG1 4.26Å; W6-V10 HydrophobicContact CH2-CG2 3.97Å; W6-V10 HydrophobicContact CZ2-CG2 3.64Å; W6-V10 HydrophobicContact CZ3-CB 4.35Å; W6-V10 HydrophobicContact CZ3-CG1 4.43Å; W6-V10 HydrophobicContact CZ3-CG2 4.14Å; W6-V10 WeakPolarHBondContact O-CB 3.32Å; W6-V10 WeakPolarHBondContact O-CG2 3.37Å; W6-V10 PolarHBondContact O-N 3.44Å; V10-P12 WeakPolarHBondContact O-CD 3.21Å; V10-P42 HydrophobicContact CG1-CB 4.12Å; V10-P42 HydrophobicContact CG1-CG 3.92Å
11	Y	50.2	Low	44.8	Very low	60 Å²	60	71.9 Å²	71.9	24%	0.235	36%	0.358	C	S	.	.			trans	-123.7	61.2	-178.2	-54	-79.8	0	0	0	111.8	W6 L7 K13 A14 V15	W6-Y11 HydrophobicContact CZ3-CE2 4.35Å; L7-Y11 HydrophobicContact CD2-CD2 3.93Å; L7-Y11 HydrophobicContact CD2-CE2 3.95Å; L7-Y11 WeakPolarHBondContact O-CA 3.5Å; L7-Y11 WeakPolarHBondContact O-CB 3.43Å; L7-Y11 PolarHBondContact O-N 3.19Å; Y11-K13 PolarHBondContact O-N 2.74Å; Y11-K13 VanDerWaalsContact O-N 3.09Å; Y11-A14 HydrophobicContact CG-CB 4.36Å; Y11-A14 PolarHBondContact O-N 3.49Å; Y11-V15 PolarHBondContact O-N 2.98Å
12	P	45.2	Very low	44.8	Very low	93 Å²	93	61.8 Å²	61.8	60%	0.604	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.6	-176	24.9	-34.5	0	0	0	112.8	A8 V10	A8-P12 WeakPolarHBondContact O-CA 3.35Å; V10-P12 WeakPolarHBondContact O-CD 3.21Å
13	K	43.5	Very low	44.8	Very low	177 Å²	177	56.4 Å²	56.4	77%	0.77	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-21.2	174.1	-67.1	-169.9	175.9	-172.2	0	114.1	Y11 V15 E16	Y11-K13 PolarHBondContact O-N 2.74Å; Y11-K13 VanDerWaalsContact O-N 3.09Å; K13-V15 VanDerWaalsContact C-N 3.25Å; K13-E16 WeakPolarHBondContact O-CG 3.12Å
14	A	43.1	Very low	44.6	Very low	14 Å²	14	57.7 Å²	57.7	12%	0.116	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-86.5	2	175.7	0	0	0	0	0	112.5	Y11 E16 D17 F117	Y11-A14 HydrophobicContact CG-CB 4.36Å; Y11-A14 PolarHBondContact O-N 3.49Å; A14-E16 PolarHBondContact O-N 2.7Å; A14-D17 CarbonylContact O-C 3.58Å; A14-D17 WeakPolarHBondContact O-CA 3.4Å; A14-D17 PolarHBondContact O-N 3.03Å; A14-F117 HydrophobicContact CB-CE1 4.5Å; A14-F117 HydrophobicContact CB-CZ 3.99Å
15	V	41.1	Very low	44.7	Very low	32 Å²	32	58.2 Å²	58.2	19%	0.194	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-63.4	-14.6	164.5	-174.7	0	0	0	0	110.8	A8 Y11 K13 D17 Q66	A8-V15 HydrophobicContact CB-CG2 4.45Å; Y11-V15 PolarHBondContact O-N 2.98Å; K13-V15 VanDerWaalsContact C-N 3.25Å; V15-D17 PolarHBondContact O-N 3.06Å; V15-Q66 WeakPolarHBondContact O-CA 3.48Å; V15-Q66 WeakPolarHBondContact O-CB 2.91Å
16	E	39.7	Very low	45	Very low	121 Å²	121	51.7 Å²	51.7	57%	0.565	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-71.4	-16.9	167.7	-54.2	-164.2	144.6	0	0	113.4	K13 A14 Q66	K13-E16 WeakPolarHBondContact O-CG 3.12Å; A14-E16 PolarHBondContact O-N 2.7Å; E16-Q66 HydrophobicContact CB-CG 4.32Å; E16-Q66 HydrophobicContact CG-CG 4.3Å; E16-Q66 PolarHBondContact OE1-NE2 3.47Å
17	D	39	Very low	44.9	Very low	63 Å²	63	51.2 Å²	51.2	34%	0.337	27%	0.271	S	S	.	.	S	Bend	trans	-124.9	150.1	-171.2	-70.4	-43.2	0	0	0	112.9	A14 V15 I19	A14-D17 CarbonylContact O-C 3.58Å; A14-D17 WeakPolarHBondContact O-CA 3.4Å; A14-D17 PolarHBondContact O-N 3.03Å; V15-D17 PolarHBondContact O-N 3.06Å; D17-I19 PolarHBondContact O-N 2.88Å
18	I	43	Very low	44.9	Very low	18 Å²	18	55.4 Å²	55.4	9%	0.092	29%	0.294	C	S	.	.			trans	-71.3	119.2	177.8	-67.9	173.1	0	0	0	110.1	L63 C112 R113	I18-L63 HydrophobicContact CG2-CD2 3.27Å; I18-L63 HydrophobicContact CG2-CG 4.48Å; I18-C112 HydrophobicContact CD1-CB 3.69Å; I18-R113 WeakPolarHBondContact CD1-O 3.34Å
19	I	44.6	Very low	45.1	Very low	13 Å²	13	54 Å²	54	7%	0.067	28%	0.282	C	S	.	.			trans	-98.6	85.5	-179.5	-46.7	179.3	0	0	0	112.1	L7 D17 V21 V62 F117	L7-I19 HydrophobicContact CB-CD1 4.01Å; L7-I19 HydrophobicContact CD1-CB 4.41Å; L7-I19 HydrophobicContact CD1-CD1 4.27Å; L7-I19 HydrophobicContact CD1-CG2 4.14Å; L7-I19 HydrophobicContact CD2-CD1 4.19Å; L7-I19 HydrophobicContact CD2-CG2 4.13Å; L7-I19 HydrophobicContact CG-CD1 4.38Å; D17-I19 PolarHBondContact O-N 2.88Å; I19-V21 HydrophobicContact CB-CG2 4.45Å; I19-V21 HydrophobicContact CG2-CG2 3.52Å; I19-V21 WeakPolarHBondContact O-CG2 3.12Å; I19-V21 PolarHBondContact O-N 3.32Å; I19-V21 VanDerWaalsContact O-N 3.14Å; I19-V62 CarbonylContact C-O 3.54Å; I19-V62 CarbonylContact O-C 3.05Å; I19-F117 HydrophobicContact CB-CE2 4.3Å; I19-F117 HydrophobicContact CG1-CE2 4.01Å; I19-F117 HydrophobicContact CG1-CZ 4.23Å; I19-F117 HydrophobicContact CG2-CE2 4.25Å
20	C	43.2	Very low	45.1	Very low	42 Å²	42	47.7 Å²	47.7	28%	0.284	26%	0.255	S	S	.	.			trans	-67.2	111.3	171.3	-60	0	0	0	0	111.5	V61	C20-V61 HydrophobicContact CB-CG1 4.16Å; C20-V61 HydrophobicContact CB-CG2 4.48Å
21	V	44.4	Very low	45.1	Very low	5 Å²	5	49.9 Å²	49.9	3%	0.03	26%	0.264	C	S	.	.			trans	-120.1	108.7	179.3	-167.7	0	0	0	0	109.7	L3 L7 I19 L23 L26 I30 Y60	L3-V21 HydrophobicContact CD2-CG1 4.44Å; L7-V21 HydrophobicContact CD1-CG2 3.99Å; I19-V21 HydrophobicContact CB-CG2 4.45Å; I19-V21 HydrophobicContact CG2-CG2 3.52Å; I19-V21 WeakPolarHBondContact O-CG2 3.12Å; I19-V21 PolarHBondContact O-N 3.32Å; I19-V21 VanDerWaalsContact O-N 3.14Å; V21-L23 HydrophobicContact CB-CD1 3.91Å; V21-L23 HydrophobicContact CB-CG 4.12Å; V21-L23 HydrophobicContact CG1-CD1 3.85Å; V21-L23 HydrophobicContact CG1-CD2 3.63Å; V21-L23 HydrophobicContact CG1-CG 3.57Å; V21-L23 WeakPolarHBondContact O-CD1 3.44Å; V21-L23 WeakPolarHBondContact O-CG 3.42Å; V21-L26 HydrophobicContact CB-CD2 4.28Å; V21-L26 HydrophobicContact CG1-CD2 3.21Å; V21-L26 HydrophobicContact CG1-CG 4.48Å; V21-I30 HydrophobicContact CG1-CD1 4.1Å; V21-Y60 CarbonylContact C-O 3.24Å; V21-Y60 VanDerWaalsContact C-O 3.24Å; V21-Y60 CarbonylContact O-C 3.5Å; V21-Y60 VanDerWaalsContact O-C 3.22Å; V21-Y60 WeakPolarHBondContact O-CB 3.29Å
22	G	41.3	Very low	45.3	Very low	6 Å²	6	47.8 Å²	47.8	6%	0.062	26%	0.26	C	S	.	.			trans	-81.8	116.4	173.3	0	0	0	0	0	111.9	L26 Y60	G22-L26 WeakPolarHBondContact O-CB 3.45Å; G22-Y60 WeakPolarHBondContact CA-O 2.97Å; G22-Y60 PolarHBondContact N-O 2.92Å
23	L	44.7	Very low	45.8	Very low	23 Å²	23	44.2 Å²	44.2	12%	0.12	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	74.8	-156	-72.2	145.5	0	0	0	114.3	L3 V21 M27 Y60 V62	L3-L23 HydrophobicContact CD1-CD2 4.43Å; L3-L23 HydrophobicContact CD2-CD1 3.29Å; L3-L23 HydrophobicContact CD2-CD2 3.7Å; L3-L23 HydrophobicContact CD2-CG 4.13Å; V21-L23 HydrophobicContact CB-CD1 3.91Å; V21-L23 HydrophobicContact CB-CG 4.12Å; V21-L23 HydrophobicContact CG1-CD1 3.85Å; V21-L23 HydrophobicContact CG1-CD2 3.63Å; V21-L23 HydrophobicContact CG1-CG 3.57Å; V21-L23 WeakPolarHBondContact O-CD1 3.44Å; V21-L23 WeakPolarHBondContact O-CG 3.42Å; L23-M27 HydrophobicContact CB-CG 4.43Å; L23-M27 HydrophobicContact CD2-CB 3.99Å; L23-M27 HydrophobicContact CD2-CE 4.1Å; L23-M27 HydrophobicContact CD2-CG 3.17Å; L23-M27 HydrophobicContact CD2-SD 4.5Å; L23-M27 HydrophobicContact CG-CG 4.41Å; L23-Y60 HydrophobicContact CB-CD2 3.81Å; L23-Y60 HydrophobicContact CB-CG 3.96Å; L23-Y60 HydrophobicContact CD1-CG 4.44Å; L23-Y60 VanDerWaalsContact O-CD2 3.3Å; L23-Y60 WeakPolarHBondContact O-CD2 3.39Å; L23-Y60 WeakPolarHBondContact O-CE2 3.29Å; L23-V62 HydrophobicContact CD1-CG2 4.2Å
24	P	40.5	Very low	46	Very low	51 Å²	51	38.7 Å²	38.7	33%	0.331	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn		-119.1	-53	124.2	-6.4	23.2	0	0	0	110.6	L26 M27 D28 E59	P24-L26 PolarHBondContact O-N 3.23Å; P24-M27 WeakPolarHBondContact O-CB 3.49Å; P24-M27 PolarHBondContact O-N 2.91Å; P24-D28 PolarHBondContact O-N 2.9Å; P24-D28 VanDerWaalsContact O-N 3.14Å; P24-E59 WeakPolarHBondContact CD-OE2 3.4Å; P24-E59 WeakPolarHBondContact CG-OE2 3.29Å
25	T	45	Very low	46.4	Very low	42 Å²	42	44.9 Å²	44.9	26%	0.258	26%	0.255	S	S	.	.	H	α-helix	trans	-71.2	-23.3	-171.5	70.6	0	0	0	0	112.2	D29 R53	T25-D29 PolarHBondContact O-N 2.88Å; T25-R53 PolarHBondContact O-NH1 2.88Å; T25-R53 PolarHBondContact OG1-NH1 3.27Å
26	L	48.3	Very low	47.1	Very low	26 Å²	26	46.3 Å²	46.3	14%	0.136	26%	0.261	C	S	.	.	H	α-helix	trans	-84.8	-24.6	174.3	-147	93.8	0	0	0	112.9	V21 G22 P24 D29 I30 F46 T50	V21-L26 HydrophobicContact CB-CD2 4.28Å; V21-L26 HydrophobicContact CG1-CD2 3.21Å; V21-L26 HydrophobicContact CG1-CG 4.48Å; G22-L26 WeakPolarHBondContact O-CB 3.45Å; P24-L26 PolarHBondContact O-N 3.23Å; L26-D29 PolarHBondContact O-N 2.88Å; L26-I30 HydrophobicContact CD2-CD1 3.91Å; L26-I30 HydrophobicContact CG-CD1 4.28Å; L26-I30 VanDerWaalsContact O-CB 3.26Å; L26-I30 WeakPolarHBondContact O-CB 3.2Å; L26-I30 WeakPolarHBondContact O-CD1 3.42Å; L26-I30 WeakPolarHBondContact O-CG1 3.41Å; L26-I30 PolarHBondContact O-N 3.16Å; L26-F46 HydrophobicContact CD1-CE2 3.49Å; L26-F46 VanDerWaalsContact CD1-CE2 3.49Å; L26-F46 HydrophobicContact CD1-CZ 3.6Å; L26-F46 HydrophobicContact CD2-CE2 3.57Å; L26-F46 HydrophobicContact CD2-CZ 3.88Å; L26-F46 HydrophobicContact CG-CE2 3.5Å; L26-F46 VanDerWaalsContact CG-CE2 3.5Å; L26-F46 HydrophobicContact CG-CZ 4.02Å; L26-T50 HydrophobicContact CD1-CG2 3.9Å
27	M	46.7	Very low	47.6	Very low	56 Å²	56	44.2 Å²	44.2	28%	0.276	27%	0.272	S	S	.	.	H	α-helix	trans	-67.8	-44.1	168.9	-107	-96.3	178.1	0	0	109.8	L3 L23 P24 D29 I30 M31	L3-M27 HydrophobicContact CB-CE 4.06Å; L3-M27 HydrophobicContact CD1-CE 4.21Å; L3-M27 HydrophobicContact CD2-CE 4.43Å; L3-M27 HydrophobicContact CG-CE 4.47Å; L23-M27 HydrophobicContact CB-CG 4.43Å; L23-M27 HydrophobicContact CD2-CB 3.99Å; L23-M27 HydrophobicContact CD2-CE 4.1Å; L23-M27 HydrophobicContact CD2-CG 3.17Å; L23-M27 HydrophobicContact CD2-SD 4.5Å; L23-M27 HydrophobicContact CG-CG 4.41Å; P24-M27 WeakPolarHBondContact O-CB 3.49Å; P24-M27 PolarHBondContact O-N 2.91Å; M27-D29 PolarHBondContact O-N 2.96Å; M27-I30 PolarHBondContact O-N 3.07Å; M27-M31 WeakPolarHBondContact O-CA 3.27Å; M27-M31 WeakPolarHBondContact O-CB 3.46Å; M27-M31 VanDerWaalsContact O-CG 3.25Å; M27-M31 WeakPolarHBondContact O-CG 3.36Å; M27-M31 PolarHBondContact O-N 2.95Å; M27-M31 HydrophobicContact SD-CG 4.11Å; M27-M31 HydrophobicContact SD-SD 4.23Å
28	D	50.9	Low	48.2	Very low	93 Å²	93	49.2 Å²	49.2	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-34	173.7	-67	-28.2	0	0	0	112.2	P24 G32 R49	P24-D28 PolarHBondContact O-N 2.9Å; P24-D28 VanDerWaalsContact O-N 3.14Å; D28-G32 VanDerWaalsContact O-CA 3.23Å; D28-G32 WeakPolarHBondContact O-CA 3.11Å; D28-G32 PolarHBondContact O-N 3.49Å; D28-R49 PolarHBondContact O-NH1 3.03Å
29	D	52.2	Low	48.5	Very low	5 Å²	5	56.5 Å²	56.5	3%	0.027	33%	0.325	C	S	.	.	H	α-helix	trans	-72.9	-46.5	176	-67.8	-12.3	0	0	0	111.8	T25 L26 M27 G32 C33 R49 R53	T25-D29 PolarHBondContact O-N 2.88Å; L26-D29 PolarHBondContact O-N 2.88Å; M27-D29 PolarHBondContact O-N 2.96Å; D29-G32 PolarHBondContact O-N 3.25Å; D29-C33 VanDerWaalsContact O-CB 3.29Å; D29-C33 WeakPolarHBondContact O-CB 3.14Å; D29-C33 PolarHBondContact O-N 3.38Å; D29-C33 PolarHBondContact O-SG 3.49Å; D29-R49 HydrophobicContact CB-CB 3.98Å; D29-R49 HydrophobicContact CB-CG 4.41Å; D29-R49 VanDerWaalsContact CG-CB 3.47Å; D29-R49 WeakPolarHBondContact OD1-CD 3.46Å; D29-R49 IonicContact OD1-NH1 3.98Å; D29-R49 WeakPolarHBondContact OD2-CB 3.41Å; D29-R53 IonicContact OD1-CZ 3.5Å; D29-R53 IonicContact OD1-NH1 2.75Å; D29-R53 IonicContact OD1-NH2 3.32Å; D29-R53 PolarHBondContact OD1-NH2 3.47Å; D29-R53 IonicContact OD2-CZ 3.61Å; D29-R53 VanDerWaalsContact OD2-CZ 3.32Å; D29-R53 IonicContact OD2-NH1 3.65Å; D29-R53 PolarHBondContact OD2-NH1 3.25Å; D29-R53 IonicContact OD2-NH2 3.04Å
30	I	49.2	Very low	48.6	Very low	18 Å²	18	58.8 Å²	58.8	9%	0.092	34%	0.34	C	S	.	.	H	α-helix	trans	-66.7	-50.1	178.4	-71.6	165.1	0	0	0	110.8	W6 V21 L26 M27 G32 C33 A34 F46	W6-I30 HydrophobicContact CD2-CG2 4.47Å; W6-I30 HydrophobicContact CE3-CG2 4.03Å; W6-I30 HydrophobicContact CH2-CG2 3.64Å; W6-I30 HydrophobicContact CZ2-CG2 4.1Å; W6-I30 HydrophobicContact CZ3-CG2 3.6Å; V21-I30 HydrophobicContact CG1-CD1 4.1Å; L26-I30 HydrophobicContact CD2-CD1 3.91Å; L26-I30 HydrophobicContact CG-CD1 4.28Å; L26-I30 VanDerWaalsContact O-CB 3.26Å; L26-I30 WeakPolarHBondContact O-CB 3.2Å; L26-I30 WeakPolarHBondContact O-CD1 3.42Å; L26-I30 WeakPolarHBondContact O-CG1 3.41Å; L26-I30 PolarHBondContact O-N 3.16Å; M27-I30 PolarHBondContact O-N 3.07Å; I30-G32 VanDerWaalsContact C-N 3.32Å; I30-C33 WeakPolarHBondContact O-CB 3.28Å; I30-C33 PolarHBondContact O-N 2.93Å; I30-A34 WeakPolarHBondContact O-CB 3.47Å; I30-A34 PolarHBondContact O-N 2.01Å; I30-F46 HydrophobicContact CG1-CD2 4.33Å; I30-F46 HydrophobicContact CG1-CE2 4.39Å
31	M	50.5	Low	49	Very low	90 Å²	90	63.4 Å²	63.4	44%	0.443	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-42.4	174.9	-68.7	-155	-58.6	0	0	110.4	M27 C33 A34 L35	M27-M31 WeakPolarHBondContact O-CA 3.27Å; M27-M31 WeakPolarHBondContact O-CB 3.46Å; M27-M31 VanDerWaalsContact O-CG 3.25Å; M27-M31 WeakPolarHBondContact O-CG 3.36Å; M27-M31 PolarHBondContact O-N 2.95Å; M27-M31 HydrophobicContact SD-CG 4.11Å; M27-M31 HydrophobicContact SD-SD 4.23Å; M31-C33 VanDerWaalsContact C-N 3.25Å; M31-C33 PolarHBondContact O-N 3.48Å; M31-A34 PolarHBondContact O-N 3.21Å; M31-A34 VanDerWaalsContact O-N 3.13Å; M31-L35 HydrophobicContact CB-CD1 4.5Å; M31-L35 VanDerWaalsContact O-CB 3.27Å; M31-L35 WeakPolarHBondContact O-CB 3.33Å; M31-L35 WeakPolarHBondContact O-CG 3.25Å; M31-L35 PolarHBondContact O-N 3.27Å
32	G	55.6	Low	49.1	Very low	15 Å²	15	65.5 Å²	65.5	16%	0.155	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-29.7	176.2	0	0	0	0	0	113.2	D28 D29 I30 D36 R49	D28-G32 VanDerWaalsContact O-CA 3.23Å; D28-G32 WeakPolarHBondContact O-CA 3.11Å; D28-G32 PolarHBondContact O-N 3.49Å; D29-G32 PolarHBondContact O-N 3.25Å; I30-G32 VanDerWaalsContact C-N 3.32Å; G32-D36 VanDerWaalsContact O-CB 3.29Å; G32-D36 WeakPolarHBondContact O-CB 3.33Å; G32-D36 PolarHBondContact O-N 3.11Å; G32-R49 VanDerWaalsContact CA-NH2 3.29Å; G32-R49 PolarHBondContact O-NH2 2.84Å
33	C	54.8	Low	49.3	Very low	19 Å²	19	68 Å²	68	13%	0.128	38%	0.381	C	S	.	.	H	α-helix	trans	-76.2	-34.7	171.2	-67.4	0	0	0	0	112.7	D29 I30 M31 C45	D29-C33 VanDerWaalsContact O-CB 3.29Å; D29-C33 WeakPolarHBondContact O-CB 3.14Å; D29-C33 PolarHBondContact O-N 3.38Å; D29-C33 PolarHBondContact O-SG 3.49Å; I30-C33 WeakPolarHBondContact O-CB 3.28Å; I30-C33 PolarHBondContact O-N 2.93Å; M31-C33 VanDerWaalsContact C-N 3.25Å; M31-C33 PolarHBondContact O-N 3.48Å; C33-C45 WeakPolarHBondContact CA-SG 3.26Å; C33-C45 HydrophobicContact CB-CB 3.64Å; C33-C45 WeakPolarHBondContact CB-SG 3.47Å; C33-C45 WeakPolarHBondContact SG-CB 3.25Å; C33-C45 CovalentContact SG-SG 2.01Å; C33-C45 PolarHBondContact SG-SG 3.38Å
34	A	48	Very low	49.5	Very low	61 Å²	61	73.3 Å²	73.3	50%	0.504	40%	0.403	S	S	.	.	H	α-helix	trans	-74.1	-34.6	177.9	0	0	0	0	0	112.6	I30 M31	I30-A34 WeakPolarHBondContact O-CB 3.47Å; I30-A34 PolarHBondContact O-N 2.01Å; M31-A34 PolarHBondContact O-N 3.21Å; M31-A34 VanDerWaalsContact O-N 3.13Å
35	L	51.6	Low	50	Low	143 Å²	143	71.4 Å²	71.4	75%	0.749	39%	0.391	S	S	*	.	H	α-helix	trans	-83.1	-16.8	178.5	-66.9	170.8	0	0	0	112.8	M31 G37	M31-L35 HydrophobicContact CB-CD1 4.5Å; M31-L35 VanDerWaalsContact O-CB 3.27Å; M31-L35 WeakPolarHBondContact O-CB 3.33Å; M31-L35 WeakPolarHBondContact O-CG 3.25Å; M31-L35 PolarHBondContact O-N 3.27Å; L35-G37 PolarHBondContact O-N 2.84Å
36	D	56.3	Low	50.2	Low	63 Å²	63	72.6 Å²	72.6	34%	0.337	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.4	-177.5	-123.9	-35.1	0	0	0	113.2	G32 R38 R49	G32-D36 VanDerWaalsContact O-CB 3.29Å; G32-D36 WeakPolarHBondContact O-CB 3.33Å; G32-D36 PolarHBondContact O-N 3.11Å; D36-R38 WeakPolarHBondContact O-CG 3.23Å; D36-R38 PolarHBondContact O-N 3.13Å; D36-R38 IonicContact OD1-CZ 3.52Å; D36-R38 IonicContact OD1-NE 3.49Å; D36-R38 PolarHBondContact OD1-NE 2.95Å; D36-R38 IonicContact OD1-NH2 2.74Å; D36-R38 PolarHBondContact OD1-NH2 3.19Å; D36-R38 IonicContact OD2-NH2 3.59Å; D36-R49 IonicContact OD2-NH2 3.57Å
37	G	50.9	Low	50.3	Low	76 Å²	76	78 Å²	78	78%	0.784	41%	0.411	S	S	*	.			trans	60.1	-5	168.7	0	0	0	0	0	116.3	L35	L35-G37 PolarHBondContact O-N 2.84Å
38	R	51	Low	50.8	Low	168 Å²	168	83.3 Å²	83.3	63%	0.634	43%	0.432	S	S	*	.	S	Bend	trans	-90.9	140.7	179.2	-69.6	179.1	-83	-165.3	-3.7	107.2	D36 V40	D36-R38 WeakPolarHBondContact O-CG 3.23Å; D36-R38 PolarHBondContact O-N 3.13Å; D36-R38 IonicContact OD1-CZ 3.52Å; D36-R38 IonicContact OD1-NE 3.49Å; D36-R38 PolarHBondContact OD1-NE 2.95Å; D36-R38 IonicContact OD1-NH2 2.74Å; D36-R38 PolarHBondContact OD1-NH2 3.19Å; D36-R38 IonicContact OD2-NH2 3.59Å; R38-V40 HydrophobicContact CB-CG2 3.77Å; R38-V40 PolarHBondContact O-N 3.34Å
39	D	48	Very low	50.9	Low	172 Å²	172	82.5 Å²	82.5	92%	0.92	42%	0.422	S	S	*	.			trans	-62.7	40.4	171	-70.4	-48.8	0	0	0	113.3	K41	D39-K41 PolarHBondContact O-N 2.83Å; D39-K41 VanDerWaalsContact O-N 3.16Å
40	V	48.5	Very low	50.8	Low	60 Å²	60	84.1 Å²	84.1	36%	0.364	43%	0.433	S	S	.	.			trans	-78.4	103.3	171.2	-173.2	0	0	0	0	105.2	R38 K44 C45	R38-V40 HydrophobicContact CB-CG2 3.77Å; R38-V40 PolarHBondContact O-N 3.34Å; V40-K44 HydrophobicContact CG1-CB 3.79Å; V40-C45 HydrophobicContact CB-CB 4.43Å; V40-C45 HydrophobicContact CG1-CB 3.72Å
41	K	51.6	Low	51	Low	140 Å²	140	92.5 Å²	92.5	61%	0.609	46%	0.463	S	S	*	.			trans	-39.9	128.3	169.7	-61.6	-174.3	174.6	-173.2	0	109	D39 D43 K44 C45	D39-K41 PolarHBondContact O-N 2.83Å; D39-K41 VanDerWaalsContact O-N 3.16Å; K41-D43 WeakPolarHBondContact CB-OD1 3.46Å; K41-D43 PolarHBondContact O-N 2.79Å; K41-K44 PolarHBondContact O-N 3.27Å; K41-C45 PolarHBondContact O-N 3.13Å
42	P	44.9	Very low	51.1	Low	49 Å²	49	95.1 Å²	95.1	32%	0.318	48%	0.479	S	S	.	.	H	α-helix	trans	-51.4	-31.1	-170.1	-31.1	35.2	0	0	0	113.9	W6 V10 F46	W6-P42 HydrophobicContact CH2-CB 4.41Å; V10-P42 HydrophobicContact CG1-CB 4.12Å; V10-P42 HydrophobicContact CG1-CG 3.92Å; P42-F46 WeakPolarHBondContact O-CB 3.15Å; P42-F46 PolarHBondContact O-N 3.14Å
43	D	45.1	Very low	51	Low	59 Å²	59	98.4 Å²	98.4	32%	0.316	49%	0.487	S	S	.	.	H	α-helix	trans	-59.6	-44	175	68.5	-53.4	0	0	0	113.2	K41 R47	K41-D43 WeakPolarHBondContact CB-OD1 3.46Å; K41-D43 PolarHBondContact O-N 2.79Å; D43-R47 WeakPolarHBondContact O-CB 3.4Å; D43-R47 PolarHBondContact O-N 2.68Å
44	K	50.2	Low	50.6	Low	133 Å²	133	108 Å²	108	58%	0.578	52%	0.52	S	S	*	.	H	α-helix	trans	-70.3	-42.5	-177.8	-72.6	-173.5	179.2	-179	0	111.4	V40 K41 K48	V40-K44 HydrophobicContact CG1-CB 3.79Å; K41-K44 PolarHBondContact O-N 3.27Å; K44-K48 WeakPolarHBondContact O-CB 3.38Å; K44-K48 PolarHBondContact O-N 3.06Å
45	C	50.2	Low	50.5	Low	12 Å²	12	112 Å²	112	8%	0.081	53%	0.533	C	S	.	.	H	α-helix	trans	-67.9	-45.7	179.4	-176.6	0	0	0	0	110.8	C33 V40 K41 R47 K48 R49	C33-C45 WeakPolarHBondContact CA-SG 3.26Å; C33-C45 HydrophobicContact CB-CB 3.64Å; C33-C45 WeakPolarHBondContact CB-SG 3.47Å; C33-C45 WeakPolarHBondContact SG-CB 3.25Å; C33-C45 CovalentContact SG-SG 2.01Å; C33-C45 PolarHBondContact SG-SG 3.38Å; V40-C45 HydrophobicContact CB-CB 4.43Å; V40-C45 HydrophobicContact CG1-CB 3.72Å; K41-C45 PolarHBondContact O-N 3.13Å; C45-R47 PolarHBondContact O-N 2.84Å; C45-K48 PolarHBondContact O-N 2.71Å; C45-R49 PolarHBondContact O-N 2.91Å; C45-R49 VanDerWaalsContact O-N 3.11Å
46	F	50.3	Low	50.2	Low	67 Å²	67	110.2 Å²	110.2	29%	0.294	52%	0.521	S	S	.	.	H	α-helix	trans	-59.4	-45.5	174.8	-172.4	-96.6	0	0	0	112.2	L26 I30 P42 K48 R49 T50	L26-F46 HydrophobicContact CD1-CE2 3.49Å; L26-F46 VanDerWaalsContact CD1-CE2 3.49Å; L26-F46 HydrophobicContact CD1-CZ 3.6Å; L26-F46 HydrophobicContact CD2-CE2 3.57Å; L26-F46 HydrophobicContact CD2-CZ 3.88Å; L26-F46 HydrophobicContact CG-CE2 3.5Å; L26-F46 VanDerWaalsContact CG-CE2 3.5Å; L26-F46 HydrophobicContact CG-CZ 4.02Å; I30-F46 HydrophobicContact CG1-CD2 4.33Å; I30-F46 HydrophobicContact CG1-CE2 4.39Å; P42-F46 WeakPolarHBondContact O-CB 3.15Å; P42-F46 PolarHBondContact O-N 3.14Å; F46-K48 VanDerWaalsContact C-N 3.29Å; F46-K48 PolarHBondContact O-N 3.36Å; F46-R49 PolarHBondContact O-N 3.18Å; F46-T50 HydrophobicContact CD1-CG2 3.89Å; F46-T50 HydrophobicContact CD2-CG2 4.29Å; F46-T50 HydrophobicContact CE1-CG2 3.59Å; F46-T50 HydrophobicContact CE2-CG2 4.05Å; F46-T50 HydrophobicContact CG-CG2 4.25Å; F46-T50 HydrophobicContact CZ-CG2 3.69Å; F46-T50 WeakPolarHBondContact O-CB 2.92Å; F46-T50 WeakPolarHBondContact O-CG2 3.39Å; F46-T50 PolarHBondContact O-N 3.44Å; F46-T50 PolarHBondContact O-OG1 2.66Å
47	R	50.4	Low	49.4	Very low	139 Å²	139	109.4 Å²	109.4	53%	0.525	52%	0.519	S	S	.	.	H	α-helix	trans	-61.1	-38	177.1	-171.2	177.5	-171.8	-179.1	3.9	111.9	D43 C45 R51	D43-R47 WeakPolarHBondContact O-CB 3.4Å; D43-R47 PolarHBondContact O-N 2.68Å; C45-R47 PolarHBondContact O-N 2.84Å; R47-R51 WeakPolarHBondContact O-CB 3.48Å; R47-R51 PolarHBondContact O-N 2.92Å
48	K	55.8	Low	49.2	Very low	167 Å²	167	108 Å²	108	73%	0.726	49%	0.493	S	S	*	.	H	α-helix	trans	-65.6	-42.6	178.1	-171.3	178.9	178.6	-176	0	111.7	K44 C45 F46	K44-K48 WeakPolarHBondContact O-CB 3.38Å; K44-K48 PolarHBondContact O-N 3.06Å; C45-K48 PolarHBondContact O-N 2.71Å; F46-K48 VanDerWaalsContact C-N 3.29Å; F46-K48 PolarHBondContact O-N 3.36Å
49	R	53.6	Low	48.7	Very low	76 Å²	76	103.5 Å²	103.5	29%	0.287	48%	0.479	S	S	.	.	H	α-helix	trans	-77.4	-37.3	-178.1	-62.9	-174.3	176.5	-143.4	6	113	D28 D29 G32 D36 C45 F46	D28-R49 PolarHBondContact O-NH1 3.03Å; D29-R49 HydrophobicContact CB-CB 3.98Å; D29-R49 HydrophobicContact CB-CG 4.41Å; D29-R49 VanDerWaalsContact CG-CB 3.47Å; D29-R49 WeakPolarHBondContact OD1-CD 3.46Å; D29-R49 IonicContact OD1-NH1 3.98Å; D29-R49 WeakPolarHBondContact OD2-CB 3.41Å; G32-R49 VanDerWaalsContact CA-NH2 3.29Å; G32-R49 PolarHBondContact O-NH2 2.84Å; D36-R49 IonicContact OD2-NH2 3.57Å; C45-R49 PolarHBondContact O-N 2.91Å; C45-R49 VanDerWaalsContact O-N 3.11Å; F46-R49 PolarHBondContact O-N 3.18Å
50	T	51.3	Low	48.4	Very low	40 Å²	40	99 Å²	99	25%	0.245	45%	0.45	C	S	.	.	H	α-helix	trans	-78.5	-27.6	179.1	54.9	0	0	0	0	114.4	L26 F46 N52 R53	L26-T50 HydrophobicContact CD1-CG2 3.9Å; F46-T50 HydrophobicContact CD1-CG2 3.89Å; F46-T50 HydrophobicContact CD2-CG2 4.29Å; F46-T50 HydrophobicContact CE1-CG2 3.59Å; F46-T50 HydrophobicContact CE2-CG2 4.05Å; F46-T50 HydrophobicContact CG-CG2 4.25Å; F46-T50 HydrophobicContact CZ-CG2 3.69Å; F46-T50 WeakPolarHBondContact O-CB 2.92Å; F46-T50 WeakPolarHBondContact O-CG2 3.39Å; F46-T50 PolarHBondContact O-N 3.44Å; F46-T50 PolarHBondContact O-OG1 2.66Å; T50-N52 PolarHBondContact O-N 3.46Å; T50-N52 VanDerWaalsContact O-N 3.12Å; T50-R53 PolarHBondContact O-N 3.33Å
51	R	51.8	Low	48.4	Very low	193 Å²	193	96.1 Å²	96.1	73%	0.728	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25	-179.2	-173.8	174.5	-172.8	-178.1	0.8	113.6	R47	R47-R51 WeakPolarHBondContact O-CB 3.48Å; R47-R51 PolarHBondContact O-N 2.92Å
52	N	53.1	Low	48.1	Very low	145 Å²	145	89.9 Å²	89.9	78%	0.775	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.6	178.7	-68.7	-9.7	0	0	0	113.4	T50	T50-N52 PolarHBondContact O-N 3.46Å; T50-N52 VanDerWaalsContact O-N 3.12Å
53	R	53.6	Low	48.2	Very low	85 Å²	85	88.1 Å²	88.1	32%	0.321	39%	0.394	S	S	.	.			trans	-114.4	80.8	-174.7	-74.7	-170.3	-171.4	156.9	11.8	109.7	T25 D29 T50 D55	T25-R53 PolarHBondContact O-NH1 2.88Å; T25-R53 PolarHBondContact OG1-NH1 3.27Å; D29-R53 IonicContact OD1-CZ 3.5Å; D29-R53 IonicContact OD1-NH1 2.75Å; D29-R53 IonicContact OD1-NH2 3.32Å; D29-R53 PolarHBondContact OD1-NH2 3.47Å; D29-R53 IonicContact OD2-CZ 3.61Å; D29-R53 VanDerWaalsContact OD2-CZ 3.32Å; D29-R53 IonicContact OD2-NH1 3.65Å; D29-R53 PolarHBondContact OD2-NH1 3.25Å; D29-R53 IonicContact OD2-NH2 3.04Å; T50-R53 PolarHBondContact O-N 3.33Å; R53-D55 VanDerWaalsContact C-N 3.33Å
54	R	46.6	Very low	48	Very low	220 Å²	220	85.6 Å²	85.6	83%	0.83	38%	0.382	S	S	*	.	S	Bend	trans	-73.6	-20.9	-176.8	-74.2	-175.2	-178	-179.5	1.6	114
55	D	46.3	Very low	47.3	Very low	146 Å²	146	82.3 Å²	82.3	78%	0.781	37%	0.368	S	S	*	.	S	Bend	trans	-143.2	35.4	-165.5	-60.2	-61.9	0	0	0	115.1	R53	R53-D55 VanDerWaalsContact C-N 3.33Å
56	H	43.7	Very low	46.7	Very low	105 Å²	105	86.7 Å²	86.7	49%	0.486	39%	0.387	S	S	.	.			trans	-79.9	126.9	175.3	-87.1	-83.8	0	0	0	111.6
57	P	40.8	Very low	45.8	Very low	46 Å²	46	92.3 Å²	92.3	30%	0.299	41%	0.412	S	S	.	.			trans	-62.6	146.2	169.4	26.2	-31.7	0	0	0	110.8	A79	P57-A79 HydrophobicContact CB-CB 3.23Å; P57-A79 HydrophobicContact CG-CB 3.66Å
58	L	47	Very low	45.3	Very low	47 Å²	47	89.1 Å²	89.1	25%	0.246	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.6	174	-63.3	171.9	0	0	0	108.1	L80 I82	L58-L80 PolarHBondContact N-O 2.75Å; L58-L80 VanDerWaalsContact N-O 3.17Å; L58-L80 PolarHBondContact O-N 3.14Å; L58-I82 HydrophobicContact CD1-CB 4.19Å; L58-I82 HydrophobicContact CD1-CD1 3.61Å; L58-I82 HydrophobicContact CD1-CG1 3.87Å
59	E	40.7	Very low	44.3	Very low	73 Å²	73	83.3 Å²	83.3	34%	0.341	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-14.8	175	-67.4	178	-177	0	0	112.6	P24 H75 F76	P24-E59 WeakPolarHBondContact CD-OE2 3.4Å; P24-E59 WeakPolarHBondContact CG-OE2 3.29Å; E59-H75 PolarHBondContact O-ND1 2.92Å; E59-F76 PolarHBondContact O-N 2.98Å
60	Y	40.5	Very low	43.6	Very low	77 Å²	77	81.9 Å²	81.9	30%	0.302	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.2	-179.8	-70.6	-91.7	0	0	0	110.7	V21 G22 L23 F74 H75	V21-Y60 CarbonylContact C-O 3.24Å; V21-Y60 VanDerWaalsContact C-O 3.24Å; V21-Y60 CarbonylContact O-C 3.5Å; V21-Y60 VanDerWaalsContact O-C 3.22Å; V21-Y60 WeakPolarHBondContact O-CB 3.29Å; G22-Y60 WeakPolarHBondContact CA-O 2.97Å; G22-Y60 PolarHBondContact N-O 2.92Å; L23-Y60 HydrophobicContact CB-CD2 3.81Å; L23-Y60 HydrophobicContact CB-CG 3.96Å; L23-Y60 HydrophobicContact CD1-CG 4.44Å; L23-Y60 VanDerWaalsContact O-CD2 3.3Å; L23-Y60 WeakPolarHBondContact O-CD2 3.39Å; L23-Y60 WeakPolarHBondContact O-CE2 3.29Å; Y60-F74 WeakPolarHBondContact CA-O 3.36Å; Y60-H75 HydrophobicContact CD1-CB 4.11Å; Y60-H75 AromaticContact CD1-ND1 3.61Å; Y60-H75 HydrophobicContact CE1-CB 3.76Å; Y60-H75 AromaticContact CE1-CE1 3.84Å; Y60-H75 AromaticContact CE1-CG 3.57Å; Y60-H75 AromaticContact CE1-ND1 3.01Å; Y60-H75 WeakPolarHBondContact CE1-ND1 3.16Å; Y60-H75 AromaticContact CE2-CE1 3.78Å; Y60-H75 AromaticContact CE2-ND1 3.57Å; Y60-H75 AromaticContact CZ-CE1 3.33Å; Y60-H75 AromaticContact CZ-CG 3.89Å; Y60-H75 AromaticContact CZ-ND1 2.98Å; Y60-H75 PolarHBondContact OH-CE1 3.3Å; Y60-H75 PolarHBondContact OH-ND1 2.71Å
61	V	49.4	Very low	43.4	Very low	0 Å²	0	83 Å²	83	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.1	169.3	170	0	0	0	0	107.3	C20 L63 F74 F76 L101	C20-V61 HydrophobicContact CB-CG1 4.16Å; C20-V61 HydrophobicContact CB-CG2 4.48Å; V61-L63 HydrophobicContact CG1-CD2 3.68Å; V61-L63 HydrophobicContact CG1-CG 4.3Å; V61-F74 PolarHBondContact N-O 3.47Å; V61-F74 PolarHBondContact O-N 2.78Å; V61-F76 HydrophobicContact CB-CE2 3.8Å; V61-F76 HydrophobicContact CB-CZ 4.4Å; V61-F76 HydrophobicContact CG2-CE2 3.59Å; V61-F76 HydrophobicContact CG2-CZ 4.26Å; V61-L101 HydrophobicContact CG1-CD2 4.36Å; V61-L101 HydrophobicContact CG2-CD2 4.36Å
62	V	45.6	Very low	43	Very low	8 Å²	8	77.8 Å²	77.8	5%	0.048	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.8	170.2	-178.7	0	0	0	0	107	L3 I19 L23 F71 E72	L3-V62 HydrophobicContact CD2-CG2 3.92Å; I19-V62 CarbonylContact C-O 3.54Å; I19-V62 CarbonylContact O-C 3.05Å; L23-V62 HydrophobicContact CD1-CG2 4.2Å; V62-F71 HydrophobicContact CG1-CD1 4.11Å; V62-E72 CarbonylContact C-O 3.22Å
63	L	46.3	Very low	42.6	Very low	12 Å²	12	75.3 Å²	75.3	6%	0.063	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.7	168.2	-53.5	-175.5	0	0	0	106.5	I18 V61 F71 E72 F74 F114	I18-L63 HydrophobicContact CG2-CD2 3.27Å; I18-L63 HydrophobicContact CG2-CG 4.48Å; V61-L63 HydrophobicContact CG1-CD2 3.68Å; V61-L63 HydrophobicContact CG1-CG 4.3Å; L63-F71 WeakPolarHBondContact O-CA 3.43Å; L63-E72 PolarHBondContact N-O 3.46Å; L63-E72 PolarHBondContact O-N 3.32Å; L63-F74 HydrophobicContact CB-CE2 4.22Å; L63-F74 HydrophobicContact CD1-CD2 3.97Å; L63-F74 HydrophobicContact CD1-CE2 3.35Å; L63-F74 HydrophobicContact CD1-CZ 4.13Å; L63-F74 HydrophobicContact CG-CD2 3.89Å; L63-F74 HydrophobicContact CG-CE2 3.61Å; L63-F114 HydrophobicContact CD2-CE1 4.36Å
64	A	41.2	Very low	42.3	Very low	7 Å²	7	73.3 Å²	73.3	6%	0.058	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.5	169.6	0	0	0	0	0	107.5	F71	A64-F71 HydrophobicContact CB-CD1 3.84Å; A64-F71 HydrophobicContact CB-CE1 3.66Å; A64-F71 HydrophobicContact CB-CZ 4.48Å
65	H	35.8	Very low	42.2	Very low	64 Å²	64	67.8 Å²	67.8	30%	0.296	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.6	177.6	-172.7	-105.5	0	0	0	110.8	K67 S68 G69 S70 T110	H65-K67 PolarHBondContact O-N 2.8Å; H65-K67 VanDerWaalsContact O-N 3.14Å; H65-S68 PolarHBondContact ND1-OG 3.21Å; H65-S68 PolarHBondContact O-N 3.41Å; H65-G69 PolarHBondContact O-N 3.19Å; H65-G69 VanDerWaalsContact O-N 3.16Å; H65-S70 PolarHBondContact N-O 2.81Å; H65-T110 WeakPolarHBondContact NE2-CG2 3.42Å
66	Q	37.3	Very low	42.2	Very low	103 Å²	103	62.4 Å²	62.4	48%	0.481	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.2	-174.6	-178.3	179.7	18.7	0	0	114.5	V15 E16	V15-Q66 WeakPolarHBondContact O-CA 3.48Å; V15-Q66 WeakPolarHBondContact O-CB 2.91Å; E16-Q66 HydrophobicContact CB-CG 4.32Å; E16-Q66 HydrophobicContact CG-CG 4.3Å; E16-Q66 PolarHBondContact OE1-NE2 3.47Å
67	K	32.4	Very low	41.9	Very low	186 Å²	186	65.2 Å²	65.2	81%	0.809	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-18.5	-171.3	-73.3	-173.8	173.8	-177.7	0	115	H65	H65-K67 PolarHBondContact O-N 2.8Å; H65-K67 VanDerWaalsContact O-N 3.14Å
68	S	38.6	Very low	41.6	Very low	71 Å²	71	67 Å²	67	50%	0.497	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-10.7	-174.3	44.9	0	0	0	0	113.2	H65 S70	H65-S68 PolarHBondContact ND1-OG 3.21Å; H65-S68 PolarHBondContact O-N 3.41Å; S68-S70 PolarHBondContact O-N 2.99Å; S68-S70 WeakPolarHBondContact OG-CB 3.12Å; S68-S70 PolarHBondContact OG-N 3.08Å; S68-S70 PolarHBondContact OG-OG 2.65Å
69	G	35.9	Very low	41.2	Very low	46 Å²	46	67.2 Å²	67.2	47%	0.474	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	15.6	-166.9	0	0	0	0	0	112.2	H65 F71	H65-G69 PolarHBondContact O-N 3.19Å; H65-G69 VanDerWaalsContact O-N 3.16Å; G69-F71 VanDerWaalsContact O-CD2 3.25Å; G69-F71 WeakPolarHBondContact O-CD2 3.39Å; G69-F71 WeakPolarHBondContact O-CE2 3.37Å
70	S	38.4	Very low	41.2	Very low	46 Å²	46	64.9 Å²	64.9	32%	0.322	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.9	179	63.9	0	0	0	0	109.4	H65 S68	H65-S70 PolarHBondContact N-O 2.81Å; S68-S70 PolarHBondContact O-N 2.99Å; S68-S70 WeakPolarHBondContact OG-CB 3.12Å; S68-S70 PolarHBondContact OG-N 3.08Å; S68-S70 PolarHBondContact OG-OG 2.65Å
71	F	46	Very low	41.1	Very low	63 Å²	63	69.1 Å²	69.1	28%	0.276	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.1	176.2	-67.5	-94.6	0	0	0	107.4	S4 A8 V62 L63 A64 G69	S4-F71 VanDerWaalsContact CB-CD2 3.41Å; S4-F71 VanDerWaalsContact O-CZ 3.29Å; S4-F71 WeakPolarHBondContact O-CZ 2.82Å; A8-F71 HydrophobicContact CB-CZ 4.08Å; V62-F71 HydrophobicContact CG1-CD1 4.11Å; L63-F71 WeakPolarHBondContact O-CA 3.43Å; A64-F71 HydrophobicContact CB-CD1 3.84Å; A64-F71 HydrophobicContact CB-CE1 3.66Å; A64-F71 HydrophobicContact CB-CZ 4.48Å; G69-F71 VanDerWaalsContact O-CD2 3.25Å; G69-F71 WeakPolarHBondContact O-CD2 3.39Å; G69-F71 WeakPolarHBondContact O-CE2 3.37Å
72	E	43.7	Very low	40.8	Very low	84 Å²	84	70.5 Å²	70.5	39%	0.393	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.6	170.4	-66.8	-173	-179.6	0	0	107.7	V62 L63 F74	V62-E72 CarbonylContact C-O 3.22Å; L63-E72 PolarHBondContact N-O 3.46Å; L63-E72 PolarHBondContact O-N 3.32Å; E72-F74 HydrophobicContact CB-CE2 3.69Å; E72-F74 HydrophobicContact CB-CZ 3.99Å; E72-F74 WeakPolarHBondContact OE2-CZ 2.83Å
73	S	46	Very low	40.3	Very low	93 Å²	93	72.1 Å²	72.1	65%	0.65	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.8	173.6	57	0	0	0	0	109.4
74	F	46.3	Very low	39.8	Very low	42 Å²	42	82 Å²	82	18%	0.184	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.6	173.4	-61.4	-85.1	0	0	0	108.5	Y60 V61 L63 E72 F76 L104	Y60-F74 WeakPolarHBondContact CA-O 3.36Å; V61-F74 PolarHBondContact N-O 3.47Å; V61-F74 PolarHBondContact O-N 2.78Å; L63-F74 HydrophobicContact CB-CE2 4.22Å; L63-F74 HydrophobicContact CD1-CD2 3.97Å; L63-F74 HydrophobicContact CD1-CE2 3.35Å; L63-F74 HydrophobicContact CD1-CZ 4.13Å; L63-F74 HydrophobicContact CG-CD2 3.89Å; L63-F74 HydrophobicContact CG-CE2 3.61Å; E72-F74 HydrophobicContact CB-CE2 3.69Å; E72-F74 HydrophobicContact CB-CZ 3.99Å; E72-F74 WeakPolarHBondContact OE2-CZ 2.83Å; F74-F76 HydrophobicContact CB-CE2 4.08Å; F74-F76 HydrophobicContact CB-CZ 4.03Å; F74-L104 HydrophobicContact CD1-CD1 4.3Å; F74-L104 HydrophobicContact CD1-CD2 3.58Å; F74-L104 HydrophobicContact CD1-CG 4.46Å; F74-L104 HydrophobicContact CE1-CD2 3.64Å; F74-L104 HydrophobicContact CG-CD1 4.18Å; F74-L104 HydrophobicContact CG-CD2 4.29Å; F74-L104 HydrophobicContact CZ-CD2 4.4Å
75	H	44.9	Very low	39.3	Very low	104 Å²	104	91.4 Å²	91.4	48%	0.481	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.3	164.9	-174.4	46.2	0	0	0	108.2	E59 Y60	E59-H75 PolarHBondContact O-ND1 2.92Å; Y60-H75 HydrophobicContact CD1-CB 4.11Å; Y60-H75 AromaticContact CD1-ND1 3.61Å; Y60-H75 HydrophobicContact CE1-CB 3.76Å; Y60-H75 AromaticContact CE1-CE1 3.84Å; Y60-H75 AromaticContact CE1-CG 3.57Å; Y60-H75 AromaticContact CE1-ND1 3.01Å; Y60-H75 WeakPolarHBondContact CE1-ND1 3.16Å; Y60-H75 AromaticContact CE2-CE1 3.78Å; Y60-H75 AromaticContact CE2-ND1 3.57Å; Y60-H75 AromaticContact CZ-CE1 3.33Å; Y60-H75 AromaticContact CZ-CG 3.89Å; Y60-H75 AromaticContact CZ-ND1 2.98Å; Y60-H75 PolarHBondContact OH-CE1 3.3Å; Y60-H75 PolarHBondContact OH-ND1 2.71Å
76	F	45.3	Very low	39.1	Very low	34 Å²	34	88.6 Å²	88.6	15%	0.149	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.5	172.3	-58.9	-85	0	0	0	108.8	E59 V61 F74 S78 L80 L104	E59-F76 PolarHBondContact O-N 2.98Å; V61-F76 HydrophobicContact CB-CE2 3.8Å; V61-F76 HydrophobicContact CB-CZ 4.4Å; V61-F76 HydrophobicContact CG2-CE2 3.59Å; V61-F76 HydrophobicContact CG2-CZ 4.26Å; F74-F76 HydrophobicContact CB-CE2 4.08Å; F74-F76 HydrophobicContact CB-CZ 4.03Å; F76-S78 WeakPolarHBondContact CB-O 3.39Å; F76-S78 PolarHBondContact O-N 3.12Å; F76-S78 VanDerWaalsContact O-N 3.11Å; F76-L80 HydrophobicContact CD1-CD1 3.32Å; F76-L80 HydrophobicContact CD2-CD1 4.31Å; F76-L80 HydrophobicContact CE1-CD1 3.39Å; F76-L80 HydrophobicContact CE2-CD1 4.37Å; F76-L80 HydrophobicContact CG-CD1 3.81Å; F76-L80 HydrophobicContact CZ-CD1 3.94Å; F76-L104 HydrophobicContact CE1-CD1 3.98Å; F76-L104 HydrophobicContact CZ-CD1 3.7Å
77	D	37.3	Very low	39.1	Very low	164 Å²	164	86.3 Å²	86.3	88%	0.877	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	-15.8	173.1	-62.5	-29.2	0	0	0	112.1
78	S	36.1	Very low	39	Very low	83 Å²	83	81.3 Å²	81.3	58%	0.58	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.9	174.5	53.6	0	0	0	0	111	F76 L80	F76-S78 WeakPolarHBondContact CB-O 3.39Å; F76-S78 PolarHBondContact O-N 3.12Å; F76-S78 VanDerWaalsContact O-N 3.11Å; S78-L80 PolarHBondContact O-N 2.86Å
79	A	38.2	Very low	38.6	Very low	51 Å²	51	82.8 Å²	82.8	42%	0.421	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.2	106	170.2	0	0	0	0	0	111.6	P57 K81	P57-A79 HydrophobicContact CB-CB 3.23Å; P57-A79 HydrophobicContact CG-CB 3.66Å; A79-K81 PolarHBondContact O-N 2.75Å; A79-K81 VanDerWaalsContact O-N 3.13Å
80	L	39.5	Very low	38.5	Very low	24 Å²	24	85.4 Å²	85.4	13%	0.126	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	107	175.3	-129.3	124.3	0	0	0	107.7	L58 F76 S78 I82 A100	L58-L80 PolarHBondContact N-O 2.75Å; L58-L80 VanDerWaalsContact N-O 3.17Å; L58-L80 PolarHBondContact O-N 3.14Å; F76-L80 HydrophobicContact CD1-CD1 3.32Å; F76-L80 HydrophobicContact CD2-CD1 4.31Å; F76-L80 HydrophobicContact CE1-CD1 3.39Å; F76-L80 HydrophobicContact CE2-CD1 4.37Å; F76-L80 HydrophobicContact CG-CD1 3.81Å; F76-L80 HydrophobicContact CZ-CD1 3.94Å; S78-L80 PolarHBondContact O-N 2.86Å; L80-I82 VanDerWaalsContact C-N 3.28Å; L80-I82 HydrophobicContact CB-CG1 4.1Å; L80-I82 HydrophobicContact CD2-CD1 3.9Å; L80-I82 HydrophobicContact CD2-CG1 3.66Å; L80-I82 HydrophobicContact CG-CG1 4.5Å; L80-I82 PolarHBondContact O-N 2.82Å; L80-A100 HydrophobicContact CD2-CB 4.26Å
81	K	39.2	Very low	38.3	Very low	167 Å²	167	94.4 Å²	94.4	73%	0.726	47%	0.472	S	S	*	.			trans	-72.8	89.8	167.7	-78.8	-172.2	179.9	179.5	0	108.2	A79 S83 S97	A79-K81 PolarHBondContact O-N 2.75Å; A79-K81 VanDerWaalsContact O-N 3.13Å; K81-S83 PolarHBondContact O-N 3.35Å; K81-S97 WeakPolarHBondContact O-CB 3.3Å; K81-S97 PolarHBondContact O-OG 3.17Å
82	I	42.9	Very low	37.9	Very low	28 Å²	28	99.2 Å²	99.2	14%	0.144	50%	0.501	C	S	.	.			trans	-85	104.2	172.5	-43.8	-164.1	0	0	0	107.3	L58 L80 A86 I87 L101	L58-I82 HydrophobicContact CD1-CB 4.19Å; L58-I82 HydrophobicContact CD1-CD1 3.61Å; L58-I82 HydrophobicContact CD1-CG1 3.87Å; L80-I82 VanDerWaalsContact C-N 3.28Å; L80-I82 HydrophobicContact CB-CG1 4.1Å; L80-I82 HydrophobicContact CD2-CD1 3.9Å; L80-I82 HydrophobicContact CD2-CG1 3.66Å; L80-I82 HydrophobicContact CG-CG1 4.5Å; L80-I82 PolarHBondContact O-N 2.82Å; I82-A86 HydrophobicContact CG2-CB 4.24Å; I82-I87 HydrophobicContact CB-CD1 4.47Å; I82-I87 HydrophobicContact CG2-CD1 3.69Å; I82-I87 HydrophobicContact CG2-CG1 3.46Å; I82-I87 VanDerWaalsContact CG2-CG1 3.46Å; I82-L101 HydrophobicContact CD1-CD1 3.84Å; I82-L101 HydrophobicContact CD1-CD2 4.3Å; I82-L101 HydrophobicContact CD1-CG 4.23Å; I82-L101 HydrophobicContact CG2-CD1 4.4Å
83	S	34.1	Very low	37.6	Very low	43 Å²	43	97 Å²	97	30%	0.301	49%	0.494	S	S	.	.			trans	-63.7	142.6	174.1	94.8	0	0	0	0	108.7	K81 R85 A86 I87 D95	K81-S83 PolarHBondContact O-N 3.35Å; S83-R85 PolarHBondContact O-N 3.16Å; S83-R85 WeakPolarHBondContact OG-CB 3.2Å; S83-R85 PolarHBondContact OG-N 2.9Å; S83-A86 WeakPolarHBondContact O-CB 3.47Å; S83-A86 PolarHBondContact O-N 3.04Å; S83-A86 PolarHBondContact OG-N 3.22Å; S83-I87 PolarHBondContact O-N 3.14Å; S83-D95 PolarHBondContact OG-OD2 3.05Å
84	R	36.3	Very low	37.4	Very low	219 Å²	219	99.1 Å²	99.1	83%	0.826	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-17	170.6	-80.1	-174.7	177.9	-167.1	-1.2	112.8
85	R	31.4	Very low	37.2	Very low	205 Å²	205	99.4 Å²	99.4	77%	0.774	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-36.7	177.9	-67	-179	175.1	176.1	-1.8	113.3	S83 I87 C88	S83-R85 PolarHBondContact O-N 3.16Å; S83-R85 WeakPolarHBondContact OG-CB 3.2Å; S83-R85 PolarHBondContact OG-N 2.9Å; R85-I87 PolarHBondContact O-N 3.18Å; R85-C88 PolarHBondContact O-N 3.05Å
86	A	32.2	Very low	36.9	Very low	5 Å²	5	99.5 Å²	99.5	4%	0.041	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-55.3	-34.5	173.7	0	0	0	0	0	111	I82 S83 C88 D95 A98	I82-A86 HydrophobicContact CG2-CB 4.24Å; S83-A86 WeakPolarHBondContact O-CB 3.47Å; S83-A86 PolarHBondContact O-N 3.04Å; S83-A86 PolarHBondContact OG-N 3.22Å; A86-C88 PolarHBondContact O-N 3.47Å; A86-D95 HydrophobicContact CB-CB 4.04Å; A86-D95 WeakPolarHBondContact CB-OD2 3.41Å; A86-D95 PolarHBondContact N-OD2 3.29Å; A86-A98 HydrophobicContact CB-CB 4.06Å; A86-A98 WeakPolarHBondContact O-CB 3.47Å
87	I	37.2	Very low	36.5	Very low	54 Å²	54	98.7 Å²	98.7	28%	0.277	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-68.3	-26.5	-177	-78.3	175.2	0	0	0	114.2	I82 S83 R85 A116	I82-I87 HydrophobicContact CB-CD1 4.47Å; I82-I87 HydrophobicContact CG2-CD1 3.69Å; I82-I87 HydrophobicContact CG2-CG1 3.46Å; I82-I87 VanDerWaalsContact CG2-CG1 3.46Å; S83-I87 PolarHBondContact O-N 3.14Å; R85-I87 PolarHBondContact O-N 3.18Å; I87-A116 HydrophobicContact CB-CB 4.12Å; I87-A116 HydrophobicContact CD1-CB 4.04Å; I87-A116 HydrophobicContact CG1-CB 4.06Å; I87-A116 HydrophobicContact CG2-CB 3.1Å
88	C	30	Very low	36.6	Very low	82 Å²	82	91.4 Å²	91.4	55%	0.554	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-107.6	-4.9	-168.4	-70.3	0	0	0	0	115.1	R85 A86	R85-C88 PolarHBondContact O-N 3.05Å; A86-C88 PolarHBondContact O-N 3.47Å
89	N	30.7	Very low	36.6	Very low	101 Å²	101	92.2 Å²	92.2	54%	0.54	47%	0.474	S	S	.	.			trans	-139.3	66.5	-168	-83.2	-33.8	0	0	0	113.7	R91 S93	N89-R91 PolarHBondContact O-N 3.44Å; N89-R91 VanDerWaalsContact O-N 3.16Å; N89-S93 WeakPolarHBondContact O-CB 3.35Å; N89-S93 PolarHBondContact O-N 3.17Å
90	S	31.9	Very low	36.7	Very low	102 Å²	102	91.2 Å²	91.2	71%	0.713	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	5.9	176.4	71.7	0	0	0	0	115.3
91	R	35	Very low	36.9	Very low	234 Å²	234	90.6 Å²	90.6	88%	0.883	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-23.3	177.9	-102.4	-179.1	175.7	-177.6	-2.1	115.7	N89	N89-R91 PolarHBondContact O-N 3.44Å; N89-R91 VanDerWaalsContact O-N 3.16Å
92	N	38.8	Very low	37	Very low	165 Å²	165	84.6 Å²	84.6	88%	0.882	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.4	9.9	-171.5	-88.2	-19.3	0	0	0	114.9
93	S	37.1	Very low	37	Very low	36 Å²	36	86.5 Å²	86.5	25%	0.252	46%	0.455	S	S	.	.			trans	-95.7	125.3	-179.8	117.3	0	0	0	0	111.3	N89 D95	N89-S93 WeakPolarHBondContact O-CB 3.35Å; N89-S93 PolarHBondContact O-N 3.17Å; S93-D95 PolarHBondContact O-N 3.18Å; S93-D95 VanDerWaalsContact O-N 3.15Å; S93-D95 WeakPolarHBondContact OG-CB 2.88Å; S93-D95 PolarHBondContact OG-N 2.64Å
94	T	40.8	Very low	37.4	Very low	138 Å²	138	86.3 Å²	86.3	85%	0.847	45%	0.451	S	S	*	.			trans	-70.7	9.2	168.1	45.9	0	0	0	0	113.2	T96	T94-T96 PolarHBondContact O-N 3.45Å; T94-T96 VanDerWaalsContact O-N 3.1Å
95	D	41.4	Very low	37.4	Very low	49 Å²	49	76.4 Å²	76.4	26%	0.262	42%	0.415	S	S	.	.			trans	-72.1	105	-178.3	-147.2	-14.3	0	0	0	108.9	S83 A86 S93 S97 A98 L99	S83-D95 PolarHBondContact OG-OD2 3.05Å; A86-D95 HydrophobicContact CB-CB 4.04Å; A86-D95 WeakPolarHBondContact CB-OD2 3.41Å; A86-D95 PolarHBondContact N-OD2 3.29Å; S93-D95 PolarHBondContact O-N 3.18Å; S93-D95 VanDerWaalsContact O-N 3.15Å; S93-D95 WeakPolarHBondContact OG-CB 2.88Å; S93-D95 PolarHBondContact OG-N 2.64Å; D95-S97 PolarHBondContact O-N 3.06Å; D95-S97 VanDerWaalsContact O-N 3.1Å; D95-A98 WeakPolarHBondContact O-CB 3.01Å; D95-A98 PolarHBondContact O-N 3.34Å; D95-L99 PolarHBondContact O-N 3.13Å
96	T	39.4	Very low	37.6	Very low	105 Å²	105	76.6 Å²	76.6	64%	0.644	42%	0.416	S	S	*	.	H	α-helix	trans	-59.4	-24.5	-173.2	50.1	0	0	0	0	112.7	T94 A98 L99 A100	T94-T96 PolarHBondContact O-N 3.45Å; T94-T96 VanDerWaalsContact O-N 3.1Å; T96-A98 VanDerWaalsContact C-N 3.31Å; T96-A98 PolarHBondContact O-N 3.28Å; T96-L99 PolarHBondContact O-N 3.22Å; T96-A100 PolarHBondContact O-N 3.23Å
97	S	37.9	Very low	37.8	Very low	18 Å²	18	81.2 Å²	81.2	13%	0.126	44%	0.444	C	S	.	.	H	α-helix	trans	-65	-32	174.2	-45.8	0	0	0	0	113.1	K81 D95 L101	K81-S97 WeakPolarHBondContact O-CB 3.3Å; K81-S97 PolarHBondContact O-OG 3.17Å; D95-S97 PolarHBondContact O-N 3.06Å; D95-S97 VanDerWaalsContact O-N 3.1Å; S97-L101 PolarHBondContact O-N 3.4Å
98	A	37.8	Very low	37.4	Very low	10 Å²	10	83.7 Å²	83.7	8%	0.083	46%	0.458	C	S	.	.	H	α-helix	trans	-75.8	-37.5	175.6	0	0	0	0	0	111.2	A86 D95 T96 T102	A86-A98 HydrophobicContact CB-CB 4.06Å; A86-A98 WeakPolarHBondContact O-CB 3.47Å; D95-A98 WeakPolarHBondContact O-CB 3.01Å; D95-A98 PolarHBondContact O-N 3.34Å; T96-A98 VanDerWaalsContact C-N 3.31Å; T96-A98 PolarHBondContact O-N 3.28Å; A98-T102 WeakPolarHBondContact O-CB 3.18Å; A98-T102 PolarHBondContact O-N 3.01Å; A98-T102 PolarHBondContact O-OG1 2.79Å
99	L	37.8	Very low	37.2	Very low	101 Å²	101	89.3 Å²	89.3	53%	0.529	48%	0.476	S	S	.	.	H	α-helix	trans	-66.5	-38.2	175.4	-73.9	165.9	0	0	0	111.6	D95 T96 L101 T102 S103	D95-L99 PolarHBondContact O-N 3.13Å; T96-L99 PolarHBondContact O-N 3.22Å; L99-L101 PolarHBondContact O-N 2.78Å; L99-T102 CarbonylContact O-C 3.5Å; L99-T102 WeakPolarHBondContact O-CA 3.45Å; L99-T102 PolarHBondContact O-N 3.3Å; L99-T102 VanDerWaalsContact O-N 3.13Å; L99-S103 PolarHBondContact O-N 2.94Å; L99-S103 PolarHBondContact O-OG 3.48Å; L99-S103 VanDerWaalsContact O-OG 3.11Å
100	A	40.1	Very low	37.1	Very low	29 Å²	29	87.2 Å²	87.2	24%	0.24	47%	0.466	C	S	.	.	H	α-helix	trans	-61.3	-43.7	176.8	0	0	0	0	0	112.1	L80 T96 S103 L104	L80-A100 HydrophobicContact CD2-CB 4.26Å; T96-A100 PolarHBondContact O-N 3.23Å; A100-S103 WeakPolarHBondContact CA-OG 3.37Å; A100-S103 PolarHBondContact O-N 3.44Å; A100-S103 PolarHBondContact O-OG 3.2Å; A100-L104 WeakPolarHBondContact O-CG 3.47Å; A100-L104 PolarHBondContact O-N 3.35Å
101	L	43.6	Very low	36.9	Very low	11 Å²	11	94.1 Å²	94.1	6%	0.058	48%	0.477	C	S	.	.	H	α-helix	trans	-63.2	-46.5	170.8	-73.5	178	0	0	0	110.7	V61 I82 S97 L99 S103 L104 S105 F114	V61-L101 HydrophobicContact CG1-CD2 4.36Å; V61-L101 HydrophobicContact CG2-CD2 4.36Å; I82-L101 HydrophobicContact CD1-CD1 3.84Å; I82-L101 HydrophobicContact CD1-CD2 4.3Å; I82-L101 HydrophobicContact CD1-CG 4.23Å; I82-L101 HydrophobicContact CG2-CD1 4.4Å; S97-L101 PolarHBondContact O-N 3.4Å; L99-L101 PolarHBondContact O-N 2.78Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 2.89Å; L101-L104 WeakPolarHBondContact O-CB 3.37Å; L101-L104 PolarHBondContact O-N 3.37Å; L101-S105 PolarHBondContact O-N 3.47Å; L101-F114 HydrophobicContact CB-CD1 3.81Å; L101-F114 HydrophobicContact CB-CE1 3.63Å; L101-F114 HydrophobicContact CB-CE2 4.42Å; L101-F114 HydrophobicContact CB-CG 4.29Å; L101-F114 HydrophobicContact CB-CZ 3.98Å; L101-F114 HydrophobicContact CD1-CD1 4.21Å; L101-F114 HydrophobicContact CD2-CE1 4.23Å; L101-F114 HydrophobicContact CG-CD1 4.43Å; L101-F114 HydrophobicContact CG-CE1 4.38Å; L101-F114 WeakPolarHBondContact O-CE2 3.47Å; L101-F114 WeakPolarHBondContact O-CZ 3.43Å
102	T	40.2	Very low	36.7	Very low	42 Å²	42	84.5 Å²	84.5	26%	0.258	45%	0.445	S	S	.	.	H	α-helix	trans	-60.5	-35.6	178.5	-48.1	0	0	0	0	113.1	A98 L99 L104 S105	A98-T102 WeakPolarHBondContact O-CB 3.18Å; A98-T102 PolarHBondContact O-N 3.01Å; A98-T102 PolarHBondContact O-OG1 2.79Å; L99-T102 CarbonylContact O-C 3.5Å; L99-T102 WeakPolarHBondContact O-CA 3.45Å; L99-T102 PolarHBondContact O-N 3.3Å; L99-T102 VanDerWaalsContact O-N 3.13Å; T102-L104 VanDerWaalsContact C-N 3.33Å; T102-L104 PolarHBondContact O-N 2.95Å; T102-S105 PolarHBondContact O-N 2.68Å; T102-S105 PolarHBondContact O-OG 3.48Å
103	S	42.7	Very low	36.2	Very low	68 Å²	68	85.5 Å²	85.5	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-67.1	-31.7	175.4	46.2	0	0	0	0	113.2	L99 A100 L101 S105 R106	L99-S103 PolarHBondContact O-N 2.94Å; L99-S103 PolarHBondContact O-OG 3.48Å; L99-S103 VanDerWaalsContact O-OG 3.11Å; A100-S103 WeakPolarHBondContact CA-OG 3.37Å; A100-S103 PolarHBondContact O-N 3.44Å; A100-S103 PolarHBondContact O-OG 3.2Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 2.89Å; S103-S105 PolarHBondContact O-N 2.82Å; S103-R106 PolarHBondContact O-N 3.5Å
104	L	42.8	Very low	36.1	Very low	38 Å²	38	85.6 Å²	85.6	20%	0.199	43%	0.433	C	S	.	.	H	α-helix	trans	-68	-22.4	174.7	-66.1	168.2	0	0	0	112.4	F74 F76 A100 L101 T102 T107	F74-L104 HydrophobicContact CD1-CD1 4.3Å; F74-L104 HydrophobicContact CD1-CD2 3.58Å; F74-L104 HydrophobicContact CD1-CG 4.46Å; F74-L104 HydrophobicContact CE1-CD2 3.64Å; F74-L104 HydrophobicContact CG-CD1 4.18Å; F74-L104 HydrophobicContact CG-CD2 4.29Å; F74-L104 HydrophobicContact CZ-CD2 4.4Å; F76-L104 HydrophobicContact CE1-CD1 3.98Å; F76-L104 HydrophobicContact CZ-CD1 3.7Å; A100-L104 WeakPolarHBondContact O-CG 3.47Å; A100-L104 PolarHBondContact O-N 3.35Å; L101-L104 WeakPolarHBondContact O-CB 3.37Å; L101-L104 PolarHBondContact O-N 3.37Å; T102-L104 VanDerWaalsContact C-N 3.33Å; T102-L104 PolarHBondContact O-N 2.95Å; L104-T107 PolarHBondContact O-OG1 2.96Å
105	S	36.4	Very low	35.5	Very low	12 Å²	12	85.4 Å²	85.4	8%	0.084	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-8.3	176.9	73.5	0	0	0	0	115.4	L101 T102 S103	L101-S105 PolarHBondContact O-N 3.47Å; T102-S105 PolarHBondContact O-N 2.68Å; T102-S105 PolarHBondContact O-OG 3.48Å; S103-S105 PolarHBondContact O-N 2.82Å
106	R	35.6	Very low	35.1	Very low	209 Å²	209	84.6 Å²	84.6	79%	0.789	42%	0.418	S	S	*	.	S	Bend	trans	-91.2	-6.7	-173.2	-79.5	-178.1	138.2	170.5	-4.5	114	S103	S103-R106 PolarHBondContact O-N 3.5Å
107	T	36.3	Very low	34.8	Very low	102 Å²	102	83.8 Å²	83.8	63%	0.626	41%	0.405	S	S	*	.	S	Bend	trans	-84.8	-7.3	-171.6	42.9	0	0	0	0	114.9	L104	L104-T107 PolarHBondContact O-OG1 2.96Å
108	N	30	Very low	34.4	Very low	106 Å²	106	90.6 Å²	90.6	57%	0.567	43%	0.43	S	S	*	.	S	Bend	trans	-144.7	158.7	168.6	-80.2	-41.8	0	0	0	107.4	T110	N108-T110 PolarHBondContact O-N 2.92Å; N108-T110 PolarHBondContact O-OG1 3.36Å
109	E	25.9	Very low	34.2	Very low	200 Å²	200	93.9 Å²	93.9	94%	0.935	45%	0.45	S	S	*	.	S	Bend	trans	-60	23.1	-171.3	-60.8	178.4	139.4	0	0	116.8
110	T	28.6	Very low	34	Very low	56 Å²	56	91.3 Å²	91.3	34%	0.344	44%	0.438	S	S	.	.			trans	-111.5	99.6	-175.9	43.5	0	0	0	0	110	H65 N108 C112	H65-T110 WeakPolarHBondContact NE2-CG2 3.42Å; N108-T110 PolarHBondContact O-N 2.92Å; N108-T110 PolarHBondContact O-OG1 3.36Å; T110-C112 VanDerWaalsContact C-N 3.3Å; T110-C112 PolarHBondContact O-N 2.74Å
111	W	26.2	Very low	33.6	Very low	247 Å²	247	91.4 Å²	91.4	94%	0.936	44%	0.437	S	S	*	.			trans	-58.9	92.8	166.2	-65	72.6	0	0	0	108.9	R113	W111-R113 PolarHBondContact O-N 3.11Å; W111-R113 VanDerWaalsContact O-N 3.08Å
112	C	30.5	Very low	33.2	Very low	32 Å²	32	93.2 Å²	93.2	22%	0.216	45%	0.447	C	S	.	.			trans	-71.4	109.3	173.3	-65.8	0	0	0	0	107.9	I18 T110 F114	I18-C112 HydrophobicContact CD1-CB 3.69Å; T110-C112 VanDerWaalsContact C-N 3.3Å; T110-C112 PolarHBondContact O-N 2.74Å; C112-F114 HydrophobicContact CB-CE2 4.05Å; C112-F114 HydrophobicContact CB-CZ 4.03Å; C112-F114 WeakPolarHBondContact O-CD2 3.49Å; C112-F114 WeakPolarHBondContact O-CE2 3.36Å; C112-F114 PolarHBondContact O-N 3.47Å
113	R	29.3	Very low	32.9	Very low	187 Å²	187	98.6 Å²	98.6	71%	0.706	46%	0.463	S	S	*	.			trans	-70.8	107.5	161	-73.9	-176.9	179.1	167.6	-0.9	107	I18 W111 Y115	I18-R113 WeakPolarHBondContact CD1-O 3.34Å; W111-R113 PolarHBondContact O-N 3.11Å; W111-R113 VanDerWaalsContact O-N 3.08Å; R113-Y115 HydrophobicContact CB-CD2 4.02Å; R113-Y115 HydrophobicContact CB-CE2 3.61Å; R113-Y115 HydrophobicContact CG-CE2 4.44Å; R113-Y115 PolarHBondContact O-N 2.76Å
114	F	34.4	Very low	32.5	Very low	38 Å²	38	103 Å²	103	17%	0.167	47%	0.47	C	S	.	.			trans	-67.7	98.2	169.3	-66.1	-82.7	0	0	0	108.6	L63 L101 C112	L63-F114 HydrophobicContact CD2-CE1 4.36Å; L101-F114 HydrophobicContact CB-CD1 3.81Å; L101-F114 HydrophobicContact CB-CE1 3.63Å; L101-F114 HydrophobicContact CB-CE2 4.42Å; L101-F114 HydrophobicContact CB-CG 4.29Å; L101-F114 HydrophobicContact CB-CZ 3.98Å; L101-F114 HydrophobicContact CD1-CD1 4.21Å; L101-F114 HydrophobicContact CD2-CE1 4.23Å; L101-F114 HydrophobicContact CG-CD1 4.43Å; L101-F114 HydrophobicContact CG-CE1 4.38Å; L101-F114 WeakPolarHBondContact O-CE2 3.47Å; L101-F114 WeakPolarHBondContact O-CZ 3.43Å; C112-F114 HydrophobicContact CB-CE2 4.05Å; C112-F114 HydrophobicContact CB-CZ 4.03Å; C112-F114 WeakPolarHBondContact O-CD2 3.49Å; C112-F114 WeakPolarHBondContact O-CE2 3.36Å; C112-F114 PolarHBondContact O-N 3.47Å
115	Y	29.2	Very low	32	Very low	133 Å²	133	110.7 Å²	110.7	52%	0.522	50%	0.496	S	S	.	.			trans	-97.6	105.2	157.3	-64	-74.8	0	0	0	106	R113	R113-Y115 HydrophobicContact CB-CD2 4.02Å; R113-Y115 HydrophobicContact CB-CE2 3.61Å; R113-Y115 HydrophobicContact CG-CE2 4.44Å; R113-Y115 PolarHBondContact O-N 2.76Å
116	A	32.3	Very low	32	Very low	33 Å²	33	118.6 Å²	118.6	27%	0.273	53%	0.532	S	S	.	.			trans	-73.7	140.2	160.7	0	0	0	0	0	107.8	I87 Y118	I87-A116 HydrophobicContact CB-CB 4.12Å; I87-A116 HydrophobicContact CD1-CB 4.04Å; I87-A116 HydrophobicContact CG1-CB 4.06Å; I87-A116 HydrophobicContact CG2-CB 3.1Å; A116-Y118 PolarHBondContact O-N 3.13Å
117	F	32.9	Very low	32	Very low	87 Å²	87	117.1 Å²	117.1	38%	0.382	54%	0.539	S	S	.	.			trans	-42.6	108.4	164.8	-79.5	-96.7	0	0	0	110.3	A14 I19 V120	A14-F117 HydrophobicContact CB-CE1 4.5Å; A14-F117 HydrophobicContact CB-CZ 3.99Å; I19-F117 HydrophobicContact CB-CE2 4.3Å; I19-F117 HydrophobicContact CG1-CE2 4.01Å; I19-F117 HydrophobicContact CG1-CZ 4.23Å; I19-F117 HydrophobicContact CG2-CE2 4.25Å; F117-V120 HydrophobicContact CD1-CG2 3.74Å; F117-V120 HydrophobicContact CE1-CG2 4.13Å
118	Y	29.5	Very low	31.8	Very low	162 Å²	162	117.9 Å²	117.9	64%	0.635	53%	0.534	S	S	*	.			trans	-44.8	139.9	140.2	-105.1	-99.5	0	0	0	106.6	A116 V120 D122	A116-Y118 PolarHBondContact O-N 3.13Å; Y118-V120 PolarHBondContact O-N 3.17Å; Y118-D122 HydrophobicContact CD1-CB 3.86Å; Y118-D122 HydrophobicContact CE1-CB 4.5Å
119	P	33.7	Very low	31.9	Very low	79 Å²	79	118.5 Å²	118.5	51%	0.513	53%	0.533	S	S	.	.			trans	-49	122.3	170.6	22.7	-31.7	0	0	0	106.6	S121 D122	P119-S121 CarbonylContact O-C 3.59Å; P119-S121 WeakPolarHBondContact O-CA 3.17Å; P119-S121 PolarHBondContact O-N 3.29Å; P119-S121 PolarHBondContact O-OG 3.13Å; P119-D122 PolarHBondContact O-N 2.99Å
120	V	34.6	Very low	32.2	Very low	47 Å²	47	114 Å²	114	29%	0.285	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-17.8	-173.5	172.5	0	0	0	0	112.1	F117 Y118 D122 Y123 W124	F117-V120 HydrophobicContact CD1-CG2 3.74Å; F117-V120 HydrophobicContact CE1-CG2 4.13Å; Y118-V120 PolarHBondContact O-N 3.17Å; V120-D122 VanDerWaalsContact C-N 3.32Å; V120-D122 PolarHBondContact O-N 3Å; V120-Y123 PolarHBondContact O-N 3.11Å; V120-W124 VanDerWaalsContact CG1-NE1 3.28Å; V120-W124 PolarHBondContact O-N 3.26Å
121	S	31.5	Very low	32.4	Very low	30 Å²	30	117.4 Å²	117.4	21%	0.21	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-26.8	167.2	55.4	0	0	0	0	117.9	P119	P119-S121 CarbonylContact O-C 3.59Å; P119-S121 WeakPolarHBondContact O-CA 3.17Å; P119-S121 PolarHBondContact O-N 3.29Å; P119-S121 PolarHBondContact O-OG 3.13Å
122	D	33.9	Very low	32.8	Very low	50 Å²	50	109.3 Å²	109.3	27%	0.267	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-22.6	179.7	-70.3	-36.1	0	0	0	113.1	Y118 P119 V120 W124 R125	Y118-D122 HydrophobicContact CD1-CB 3.86Å; Y118-D122 HydrophobicContact CE1-CB 4.5Å; P119-D122 PolarHBondContact O-N 2.99Å; V120-D122 VanDerWaalsContact C-N 3.32Å; V120-D122 PolarHBondContact O-N 3Å; D122-W124 VanDerWaalsContact C-N 3.3Å; D122-W124 PolarHBondContact O-N 3.46Å; D122-R125 PolarHBondContact O-N 3.15Å; D122-R125 VanDerWaalsContact O-N 3.16Å; D122-R125 IonicContact OD1-CZ 3.96Å; D122-R125 IonicContact OD1-NH1 3.06Å; D122-R125 PolarHBondContact OD1-NH1 3.1Å
123	Y	34.8	Very low	33	Very low	154 Å²	154	114.5 Å²	114.5	60%	0.604	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-66.6	-33.4	170.3	-170.1	-94.5	0	0	0	111.6	V120 R125	V120-Y123 PolarHBondContact O-N 3.11Å; Y123-R125 VanDerWaalsContact C-N 3.29Å; Y123-R125 PolarHBondContact O-N 3.1Å
124	W	33.5	Very low	33.2	Very low	160 Å²	160	109.3 Å²	109.3	61%	0.606	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-81.9	1.8	173	-62.1	111.1	0	0	0	114.5	V120 D122 L127	V120-W124 VanDerWaalsContact CG1-NE1 3.28Å; V120-W124 PolarHBondContact O-N 3.26Å; D122-W124 VanDerWaalsContact C-N 3.3Å; D122-W124 PolarHBondContact O-N 3.46Å; W124-L127 HydrophobicContact CZ3-CD1 4.5Å
125	R	34	Very low	33.2	Very low	200 Å²	200	114.8 Å²	114.8	76%	0.755	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-92.4	-6.1	173.4	-90.4	177.3	172.2	170.4	-10.4	113.5	D122 Y123	D122-R125 PolarHBondContact O-N 3.15Å; D122-R125 VanDerWaalsContact O-N 3.16Å; D122-R125 IonicContact OD1-CZ 3.96Å; D122-R125 IonicContact OD1-NH1 3.06Å; D122-R125 PolarHBondContact OD1-NH1 3.1Å; Y123-R125 VanDerWaalsContact C-N 3.29Å; Y123-R125 PolarHBondContact O-N 3.1Å
126	Q	35.9	Very low	33.5	Very low	179 Å²	179	113.3 Å²	113.3	84%	0.836	53%	0.525	S	S	*	.			trans	-113.3	9.1	179.9	-67	-175.9	-6	0	0	113.4
127	L	35.3	Very low	33.6	Very low	178 Å²	178	120.5 Å²	120.5	93%	0.932	55%	0.548	S	S	*	.			trans	-122.3	0	168.8	-73.4	169.8	0	0	0	108.8	W124	W124-L127 HydrophobicContact CZ3-CD1 4.5Å

Retrieved 127 of 127 residues in 187.5 ms (Link to these results)

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