A0A077ZCG2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCG2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 aa.

						>A0A077ZCG2_TRITR|A0A077ZCG2
MAIPTRPQHSVIVGLPKNPGRKDIELLPFRIAIADDRVKKSYAEVIPTAIMFLPNTYHNVFSKTLSLPISDYSGRRLSSVQEANGPPLDLSLMDEHAAFALELIKCNLEIEPPQVGQTKRGNRRSCFGSA
					

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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	33.9	Very low	31.8	Very low	245 Å²	245	121.1 Å²	121.1	100%	1.207	66%	0.663	S	S	*	*				0	115.6	0	-82.3	172.2	169.5	0	0	107.8
2	A	29.3	Very low	31.9	Very low	102 Å²	102	117.2 Å²	117.2	84%	0.843	64%	0.64	S	S	*	*			trans	-76.8	121.4	176.5	0	0	0	0	0	109
3	I	25.8	Very low	32.4	Very low	149 Å²	149	108.9 Å²	108.9	76%	0.764	60%	0.595	S	S	*	*			trans	-68.4	123.7	172.4	-60.5	170.4	0	0	0	106.7	T5	I3-T5 PolarHBondContact O-N 3.1Å
4	P	27	Very low	32.6	Very low	114 Å²	114	102.6 Å²	102.6	74%	0.74	57%	0.568	S	S	*	*			trans	-66.8	108.5	174.6	26	-29.6	0	0	0	108.4	R6	P4-R6 PolarHBondContact O-N 2.97Å; P4-R6 VanDerWaalsContact O-N 3.07Å
5	T	31.6	Very low	32.7	Very low	136 Å²	136	98 Å²	98	83%	0.834	54%	0.542	S	S	*	.			trans	-67.1	102.6	169.9	35.1	0	0	0	0	108	I3	I3-T5 PolarHBondContact O-N 3.1Å
6	R	33.7	Very low	32.8	Very low	193 Å²	193	93.7 Å²	93.7	73%	0.728	52%	0.52	S	S	*	.			trans	-54.1	133.2	172.6	-72.9	-179.2	174.6	174.7	-2	109.4	P4 Q8	P4-R6 PolarHBondContact O-N 2.97Å; P4-R6 VanDerWaalsContact O-N 3.07Å; R6-Q8 PolarHBondContact O-N 2.78Å
7	P	32.5	Very low	32.8	Very low	76 Å²	76	95.4 Å²	95.4	49%	0.494	52%	0.521	S	S	.	.			trans	-66.3	108.9	175.5	26.6	-32	0	0	0	109.3	H9	P7-H9 PolarHBondContact O-N 2.73Å; P7-H9 PolarHBondContact O-ND1 2.98Å
8	Q	32.7	Very low	32.9	Very low	165 Å²	165	94.5 Å²	94.5	77%	0.771	52%	0.515	S	S	*	.			trans	-77.4	112.1	170.7	-69.1	-177.3	-10.9	0	0	108.2	R6	R6-Q8 PolarHBondContact O-N 2.78Å
9	H	35.9	Very low	33.2	Very low	52 Å²	52	93.6 Å²	93.6	24%	0.241	52%	0.515	C	S	.	.			trans	-92	160.3	171.1	-62.5	92.1	0	0	0	109.8	P7 I31 I33	P7-H9 PolarHBondContact O-N 2.73Å; P7-H9 PolarHBondContact O-ND1 2.98Å; H9-I31 CarbonylContact C-O 3.54Å; H9-I31 CarbonylContact O-C 3.54Å; H9-I33 HydrophobicContact CB-CB 4.38Å; H9-I33 HydrophobicContact CB-CD1 4.11Å; H9-I33 HydrophobicContact CB-CG1 4.27Å
10	S	30.8	Very low	33.3	Very low	73 Å²	73	92.6 Å²	92.6	51%	0.51	53%	0.527	S	S	.	.			trans	-128.5	134.5	177.5	51.4	0	0	0	0	109.8	R30	S10-R30 VanDerWaalsContact CB-CG 3.46Å
11	V	36.9	Very low	33.3	Very low	27 Å²	27	95.6 Å²	95.6	16%	0.164	53%	0.529	C	S	.	.			trans	-128.6	111.1	179.2	179.5	0	0	0	0	106.7	V13 F29 I31	V11-V13 HydrophobicContact CG1-CG2 4.13Å; V11-F29 CarbonylContact C-O 3.18Å; V11-F29 CarbonylContact O-C 3.15Å; V11-F29 WeakPolarHBondContact O-CD2 3.4Å; V11-I31 HydrophobicContact CB-CB 3.92Å; V11-I31 HydrophobicContact CB-CD1 3.62Å; V11-I31 HydrophobicContact CB-CG1 3.77Å; V11-I31 HydrophobicContact CG1-CD1 3.89Å; V11-I31 HydrophobicContact CG2-CB 3.93Å; V11-I31 HydrophobicContact CG2-CD1 4.15Å; V11-I31 HydrophobicContact CG2-CG1 4.3Å
12	I	32.2	Very low	33.5	Very low	74 Å²	74	91.2 Å²	91.2	38%	0.379	50%	0.504	S	S	.	.			trans	-72.4	128.6	178.2	-60.4	174.1	0	0	0	108	P28 A49	I12-P28 HydrophobicContact CG1-CB 4.27Å; I12-P28 HydrophobicContact CG2-CB 4.37Å; I12-A49 VanDerWaalsContact O-O 3.09Å
13	V	38.8	Very low	33.8	Very low	10 Å²	10	91.2 Å²	91.2	6%	0.061	49%	0.49	C	S	.	.			trans	-136.2	115.1	177.6	164.8	0	0	0	0	107.1	V11 L15 L27 F29 M51	V11-V13 HydrophobicContact CG1-CG2 4.13Å; V13-L15 HydrophobicContact CG1-CD2 4.37Å; V13-L15 PolarHBondContact O-N 3.45Å; V13-L27 CarbonylContact C-O 3.56Å; V13-F29 HydrophobicContact CB-CD1 3.68Å; V13-F29 HydrophobicContact CB-CD2 4.08Å; V13-F29 HydrophobicContact CB-CE1 3.12Å; V13-F29 HydrophobicContact CB-CE2 3.52Å; V13-F29 HydrophobicContact CB-CG 4.18Å; V13-F29 HydrophobicContact CB-CZ 3.05Å; V13-F29 HydrophobicContact CG1-CD1 4.21Å; V13-F29 HydrophobicContact CG1-CE1 3.23Å; V13-F29 HydrophobicContact CG1-CE2 4.16Å; V13-F29 HydrophobicContact CG1-CZ 3.22Å; V13-F29 HydrophobicContact CG2-CD2 4.11Å; V13-F29 HydrophobicContact CG2-CE1 3.99Å; V13-F29 HydrophobicContact CG2-CE2 3.39Å; V13-F29 HydrophobicContact CG2-CZ 3.37Å; V13-F29 WeakPolarHBondContact O-CD1 2.96Å; V13-F29 WeakPolarHBondContact O-CE1 3Å; V13-M51 HydrophobicContact CB-CE 4.28Å; V13-M51 HydrophobicContact CG1-CE 4.13Å; V13-M51 HydrophobicContact CG2-CE 3.27Å; V13-M51 HydrophobicContact CG2-CG 4.47Å
14	G	35.2	Very low	34.3	Very low	21 Å²	21	88 Å²	88	22%	0.216	47%	0.473	C	S	.	.			trans	-67.3	119.1	179.4	0	0	0	0	0	111.7
15	L	34.8	Very low	34.6	Very low	33 Å²	33	86.9 Å²	86.9	17%	0.173	46%	0.458	C	S	.	.			trans	-109.7	134.1	169.5	-64.1	177.5	0	0	0	109.3	V13 K17 L27 F29 F99 L103	V13-L15 HydrophobicContact CG1-CD2 4.37Å; V13-L15 PolarHBondContact O-N 3.45Å; L15-K17 PolarHBondContact O-N 3Å; L15-L27 HydrophobicContact CB-CD1 4.41Å; L15-F29 HydrophobicContact CD1-CD1 4.32Å; L15-F29 HydrophobicContact CD1-CE1 3.94Å; L15-F29 HydrophobicContact CD2-CE1 4.5Å; L15-F29 HydrophobicContact CG-CE1 4.06Å; L15-F99 HydrophobicContact CD1-CD1 4.19Å; L15-F99 HydrophobicContact CD1-CE1 3.63Å; L15-F99 HydrophobicContact CD2-CE1 3.68Å; L15-F99 HydrophobicContact CG-CE1 4.14Å; L15-L103 HydrophobicContact CD2-CD1 4.14Å
16	P	32.9	Very low	34.7	Very low	29 Å²	29	84.9 Å²	84.9	19%	0.188	44%	0.441	C	S	.	.			trans	-63.2	122.9	175.1	25.5	-31.1	0	0	0	110.1	N18	P16-N18 PolarHBondContact O-N 3.04Å
17	K	34.3	Very low	34.6	Very low	123 Å²	123	79.5 Å²	79.5	54%	0.535	43%	0.427	S	S	.	.	S	Bend	trans	-53.2	-26.8	176.9	-161.8	-164.8	-156.8	134.2	0	113.3	L15 E25	L15-K17 PolarHBondContact O-N 3Å; K17-E25 HydrophobicContact CB-CB 4.06Å; K17-E25 WeakPolarHBondContact CD-OE2 3.34Å; K17-E25 WeakPolarHBondContact CE-OE2 3.31Å; K17-E25 WeakPolarHBondContact CG-OE2 3.29Å; K17-E25 VanDerWaalsContact NZ-CD 3.26Å; K17-E25 IonicContact NZ-OE1 3.01Å; K17-E25 PolarHBondContact NZ-OE1 3.06Å; K17-E25 IonicContact NZ-OE2 2.7Å; K17-E25 PolarHBondContact NZ-OE2 3.28Å
18	N	33.3	Very low	34.6	Very low	79 Å²	79	80.6 Å²	80.6	42%	0.422	43%	0.434	S	S	.	.	S	Bend	trans	-136.1	113.7	178.3	-78.4	-50.6	0	0	0	109.6	P16 G20 R21	P16-N18 PolarHBondContact O-N 3.04Å; N18-G20 PolarHBondContact O-N 3.39Å; N18-R21 HydrophobicContact CB-CB 4.02Å; N18-R21 HydrophobicContact CB-CG 4.41Å; N18-R21 PolarHBondContact O-N 3.14Å; N18-R21 VanDerWaalsContact O-N 3.13Å
19	P	38.5	Very low	34.7	Very low	78 Å²	78	75.5 Å²	75.5	51%	0.506	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	103.9	169.6	24.5	-29.8	0	0	0	108.4	F127	P19-F127 HydrophobicContact CB-CD1 4.19Å; P19-F127 HydrophobicContact CB-CD2 3.83Å; P19-F127 HydrophobicContact CB-CE1 4.08Å; P19-F127 HydrophobicContact CB-CE2 3.69Å; P19-F127 HydrophobicContact CB-CG 4.08Å; P19-F127 HydrophobicContact CB-CZ 3.83Å; P19-F127 HydrophobicContact CG-CD1 4.38Å; P19-F127 HydrophobicContact CG-CE1 4.22Å; P19-F127 HydrophobicContact CG-CZ 4.37Å
20	G	35	Very low	34.5	Very low	73 Å²	73	82.8 Å²	82.8	75%	0.753	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.9	-14.1	-178.2	0	0	0	0	0	115.8	N18	N18-G20 PolarHBondContact O-N 3.39Å
21	R	33.6	Very low	34.8	Very low	155 Å²	155	80 Å²	80	59%	0.585	41%	0.414	S	S	*	.			trans	-97.2	147.7	168.3	-84.1	-173.4	172.5	-171.3	2	111.3	N18 D23	N18-R21 HydrophobicContact CB-CB 4.02Å; N18-R21 HydrophobicContact CB-CG 4.41Å; N18-R21 PolarHBondContact O-N 3.14Å; N18-R21 VanDerWaalsContact O-N 3.13Å; R21-D23 PolarHBondContact O-N 2.99Å
22	K	38.5	Very low	34.5	Very low	154 Å²	154	82.1 Å²	82.1	67%	0.67	43%	0.434	S	S	*	.	S	Bend	trans	-77.9	-2.3	176.9	-67.2	-178.1	178.9	178.5	0	113	I24	K22-I24 PolarHBondContact O-N 3.28Å; K22-I24 VanDerWaalsContact O-N 3.14Å
23	D	35.5	Very low	34.7	Very low	102 Å²	102	80.2 Å²	80.2	55%	0.545	43%	0.425	S	S	.	.			trans	-81.7	93.4	-179.9	-44.9	-32.3	0	0	0	107.8	R21 E25	R21-D23 PolarHBondContact O-N 2.99Å; D23-E25 PolarHBondContact O-N 3.48Å; D23-E25 VanDerWaalsContact O-N 3.15Å
24	I	37	Very low	34.3	Very low	82 Å²	82	84.1 Å²	84.1	42%	0.421	46%	0.458	S	S	.	.			trans	-77.9	94.7	172.8	-56.8	173.7	0	0	0	106.9	K22 L26	K22-I24 PolarHBondContact O-N 3.28Å; K22-I24 VanDerWaalsContact O-N 3.14Å; I24-L26 HydrophobicContact CG2-CD2 4.01Å; I24-L26 PolarHBondContact O-N 2.58Å
25	E	31.9	Very low	34.3	Very low	90 Å²	90	86.3 Å²	86.3	42%	0.421	47%	0.465	S	S	.	.			trans	-80.9	112.9	163.9	-153.3	179.1	-141.3	0	0	107.2	K17 D23 L27	K17-E25 HydrophobicContact CB-CB 4.06Å; K17-E25 WeakPolarHBondContact CD-OE2 3.34Å; K17-E25 WeakPolarHBondContact CE-OE2 3.31Å; K17-E25 WeakPolarHBondContact CG-OE2 3.29Å; K17-E25 VanDerWaalsContact NZ-CD 3.26Å; K17-E25 IonicContact NZ-OE1 3.01Å; K17-E25 PolarHBondContact NZ-OE1 3.06Å; K17-E25 IonicContact NZ-OE2 2.7Å; K17-E25 PolarHBondContact NZ-OE2 3.28Å; D23-E25 PolarHBondContact O-N 3.48Å; D23-E25 VanDerWaalsContact O-N 3.15Å; E25-L27 PolarHBondContact O-N 3.33Å
26	L	35.4	Very low	34.4	Very low	93 Å²	93	91.3 Å²	91.3	49%	0.487	49%	0.491	S	S	.	.			trans	-69	100.3	178.8	-65.3	171.5	0	0	0	108.9	I24 P28	I24-L26 HydrophobicContact CG2-CD2 4.01Å; I24-L26 PolarHBondContact O-N 2.58Å; L26-P28 VanDerWaalsContact O-CD 3.32Å; L26-P28 WeakPolarHBondContact O-CD 3.37Å
27	L	31	Very low	34.4	Very low	81 Å²	81	100.4 Å²	100.4	42%	0.424	52%	0.522	S	S	.	.			trans	-74.5	119.5	170.3	-73.6	170.9	0	0	0	109.6	V13 L15 E25 F29	V13-L27 CarbonylContact C-O 3.56Å; L15-L27 HydrophobicContact CB-CD1 4.41Å; E25-L27 PolarHBondContact O-N 3.33Å; L27-F29 PolarHBondContact O-N 2.91Å
28	P	33.1	Very low	34.5	Very low	99 Å²	99	96.1 Å²	96.1	64%	0.643	51%	0.506	S	S	*	.			trans	-73.1	117.5	171.5	29.5	-31.1	0	0	0	109	I12 L26	I12-P28 HydrophobicContact CG1-CB 4.27Å; I12-P28 HydrophobicContact CG2-CB 4.37Å; L26-P28 VanDerWaalsContact O-CD 3.32Å; L26-P28 WeakPolarHBondContact O-CD 3.37Å
29	F	34.4	Very low	34.4	Very low	57 Å²	57	101.8 Å²	101.8	25%	0.25	53%	0.527	C	S	.	.			trans	-108.7	163.9	161.3	59.9	-112.3	0	0	0	111.6	V11 V13 L15 L27 I31 M51	V11-F29 CarbonylContact C-O 3.18Å; V11-F29 CarbonylContact O-C 3.15Å; V11-F29 WeakPolarHBondContact O-CD2 3.4Å; V13-F29 HydrophobicContact CB-CD1 3.68Å; V13-F29 HydrophobicContact CB-CD2 4.08Å; V13-F29 HydrophobicContact CB-CE1 3.12Å; V13-F29 HydrophobicContact CB-CE2 3.52Å; V13-F29 HydrophobicContact CB-CG 4.18Å; V13-F29 HydrophobicContact CB-CZ 3.05Å; V13-F29 HydrophobicContact CG1-CD1 4.21Å; V13-F29 HydrophobicContact CG1-CE1 3.23Å; V13-F29 HydrophobicContact CG1-CE2 4.16Å; V13-F29 HydrophobicContact CG1-CZ 3.22Å; V13-F29 HydrophobicContact CG2-CD2 4.11Å; V13-F29 HydrophobicContact CG2-CE1 3.99Å; V13-F29 HydrophobicContact CG2-CE2 3.39Å; V13-F29 HydrophobicContact CG2-CZ 3.37Å; V13-F29 WeakPolarHBondContact O-CD1 2.96Å; V13-F29 WeakPolarHBondContact O-CE1 3Å; L15-F29 HydrophobicContact CD1-CD1 4.32Å; L15-F29 HydrophobicContact CD1-CE1 3.94Å; L15-F29 HydrophobicContact CD2-CE1 4.5Å; L15-F29 HydrophobicContact CG-CE1 4.06Å; L27-F29 PolarHBondContact O-N 2.91Å; F29-I31 HydrophobicContact CD2-CD1 4.35Å; F29-I31 HydrophobicContact CD2-CG1 3.78Å; F29-I31 HydrophobicContact CE2-CD1 3.75Å; F29-I31 HydrophobicContact CE2-CG1 3.64Å; F29-M51 HydrophobicContact CE2-CE 4.26Å; F29-M51 HydrophobicContact CZ-CE 4.17Å
30	R	31.6	Very low	34.1	Very low	205 Å²	205	106.9 Å²	106.9	77%	0.774	54%	0.541	S	S	*	.			trans	-113.7	122.3	177.4	-61.4	-165.6	168.1	178.4	-2.3	107.7	S10	S10-R30 VanDerWaalsContact CB-CG 3.46Å
31	I	36.7	Very low	33.8	Very low	16 Å²	16	106.3 Å²	106.3	8%	0.082	53%	0.526	C	S	.	.			trans	-102	113.7	170.7	-54.8	176.2	0	0	0	108.2	H9 V11 F29 I33 M51 L90	H9-I31 CarbonylContact C-O 3.54Å; H9-I31 CarbonylContact O-C 3.54Å; V11-I31 HydrophobicContact CB-CB 3.92Å; V11-I31 HydrophobicContact CB-CD1 3.62Å; V11-I31 HydrophobicContact CB-CG1 3.77Å; V11-I31 HydrophobicContact CG1-CD1 3.89Å; V11-I31 HydrophobicContact CG2-CB 3.93Å; V11-I31 HydrophobicContact CG2-CD1 4.15Å; V11-I31 HydrophobicContact CG2-CG1 4.3Å; F29-I31 HydrophobicContact CD2-CD1 4.35Å; F29-I31 HydrophobicContact CD2-CG1 3.78Å; F29-I31 HydrophobicContact CE2-CD1 3.75Å; F29-I31 HydrophobicContact CE2-CG1 3.64Å; I31-I33 PolarHBondContact O-N 3.04Å; I31-M51 HydrophobicContact CD1-CE 3.85Å; I31-L90 HydrophobicContact CD1-CD2 4.03Å; I31-L90 HydrophobicContact CG2-CD2 3.81Å
32	A	32	Very low	33.7	Very low	71 Å²	71	103 Å²	103	59%	0.587	51%	0.513	S	S	*	.			trans	-71.2	109.9	170.3	0	0	0	0	0	109.6	A34	A32-A34 PolarHBondContact O-N 3.33Å
33	I	35.2	Very low	33.2	Very low	34 Å²	34	99.5 Å²	99.5	17%	0.174	51%	0.514	C	S	.	.			trans	-79.9	113.8	170.7	-59.9	167.3	0	0	0	107.6	H9 I31 D35	H9-I33 HydrophobicContact CB-CB 4.38Å; H9-I33 HydrophobicContact CB-CD1 4.11Å; H9-I33 HydrophobicContact CB-CG1 4.27Å; I31-I33 PolarHBondContact O-N 3.04Å; I33-D35 HydrophobicContact CG2-CB 4.16Å; I33-D35 PolarHBondContact O-N 3.19Å
34	A	30	Very low	32.8	Very low	91 Å²	91	102.6 Å²	102.6	75%	0.752	53%	0.525	S	S	*	.			trans	-93.5	77.1	173.3	0	0	0	0	0	109.3	A32	A32-A34 PolarHBondContact O-N 3.33Å
35	D	36.2	Very low	32.5	Very low	68 Å²	68	103.7 Å²	103.7	36%	0.364	54%	0.535	S	S	.	.			trans	-135.3	107.5	171	-166.3	-8.5	0	0	0	111.4	I33 R37 V38	I33-D35 HydrophobicContact CG2-CB 4.16Å; I33-D35 PolarHBondContact O-N 3.19Å; D35-R37 PolarHBondContact O-N 3.5Å; D35-R37 VanDerWaalsContact OD1-CB 3.24Å; D35-R37 WeakPolarHBondContact OD1-CB 3.2Å; D35-R37 PolarHBondContact OD1-N 3.15Å; D35-V38 HydrophobicContact CB-CB 4.45Å; D35-V38 HydrophobicContact CB-CG2 3.68Å; D35-V38 PolarHBondContact O-N 3.13Å; D35-V38 WeakPolarHBondContact OD2-CG2 3.08Å
36	D	35.5	Very low	32.4	Very low	137 Å²	137	102.2 Å²	102.2	73%	0.733	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-9.7	176.1	-78.5	-32.1	0	0	0	113
37	R	33.5	Very low	32	Very low	220 Å²	220	103 Å²	103	83%	0.83	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.5	178.4	-59.1	-177.9	174.4	-169.7	-1.5	113.1	D35 K39	D35-R37 PolarHBondContact O-N 3.5Å; D35-R37 VanDerWaalsContact OD1-CB 3.24Å; D35-R37 WeakPolarHBondContact OD1-CB 3.2Å; D35-R37 PolarHBondContact OD1-N 3.15Å; R37-K39 PolarHBondContact O-N 2.91Å; R37-K39 VanDerWaalsContact O-N 3.16Å
38	V	37	Very low	32	Very low	33 Å²	33	102 Å²	102	20%	0.2	54%	0.537	C	S	.	.			trans	-90.2	82.2	-178.7	179.4	0	0	0	0	109.2	D35 K40 Y42	D35-V38 HydrophobicContact CB-CB 4.45Å; D35-V38 HydrophobicContact CB-CG2 3.68Å; D35-V38 PolarHBondContact O-N 3.13Å; D35-V38 WeakPolarHBondContact OD2-CG2 3.08Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-Y42 HydrophobicContact CB-CD2 4.46Å; V38-Y42 HydrophobicContact CB-CE2 4.03Å; V38-Y42 HydrophobicContact CG1-CD2 3.26Å; V38-Y42 HydrophobicContact CG1-CE2 3.13Å; V38-Y42 HydrophobicContact CG1-CG 4.46Å; V38-Y42 HydrophobicContact CG2-CD2 4.46Å; V38-Y42 HydrophobicContact CG2-CE2 3.65Å
39	K	31.9	Very low	32	Very low	198 Å²	198	97.5 Å²	97.5	86%	0.861	51%	0.509	S	S	*	.			trans	-88.3	4.1	174.4	-71.8	-174.5	177.1	-179.4	0	113.8	R37	R37-K39 PolarHBondContact O-N 2.91Å; R37-K39 VanDerWaalsContact O-N 3.16Å
40	K	31.2	Very low	32.1	Very low	185 Å²	185	95.5 Å²	95.5	80%	0.804	50%	0.5	S	S	*	.	S	Bend	trans	-125.2	125.3	-179.4	-78.6	-176.7	175.1	-177.9	0	110.8	V38 Y42	V38-K40 VanDerWaalsContact C-N 3.33Å; K40-Y42 PolarHBondContact O-N 3.01Å; K40-Y42 VanDerWaalsContact O-N 3.16Å
41	S	27.9	Very low	32.3	Very low	62 Å²	62	86.7 Å²	86.7	43%	0.434	47%	0.469	S	S	.	.			trans	-29.3	101.2	175.8	-176.7	0	0	0	0	115.1	E44	S41-E44 PolarHBondContact OG-N 3.27Å
42	Y	31.6	Very low	32.2	Very low	84 Å²	84	87.4 Å²	87.4	33%	0.329	47%	0.471	S	S	.	.	S	Bend	trans	-77.8	-10.8	157.3	-77	-65.6	0	0	0	111.9	V38 K40 E44 V45	V38-Y42 HydrophobicContact CB-CD2 4.46Å; V38-Y42 HydrophobicContact CB-CE2 4.03Å; V38-Y42 HydrophobicContact CG1-CD2 3.26Å; V38-Y42 HydrophobicContact CG1-CE2 3.13Å; V38-Y42 HydrophobicContact CG1-CG 4.46Å; V38-Y42 HydrophobicContact CG2-CD2 4.46Å; V38-Y42 HydrophobicContact CG2-CE2 3.65Å; K40-Y42 PolarHBondContact O-N 3.01Å; K40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-E44 VanDerWaalsContact C-N 3.33Å; Y42-E44 PolarHBondContact O-N 2.7Å; Y42-V45 PolarHBondContact O-N 3.18Å
43	A	27.8	Very low	32.2	Very low	82 Å²	82	86.4 Å²	86.4	68%	0.678	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.1	-179	0	0	0	0	0	113.6
44	E	27.7	Very low	31.9	Very low	166 Å²	166	87.2 Å²	87.2	78%	0.776	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-16.7	174.9	-93.3	176.2	142.8	0	0	113.9	S41 Y42	S41-E44 PolarHBondContact OG-N 3.27Å; Y42-E44 VanDerWaalsContact C-N 3.33Å; Y42-E44 PolarHBondContact O-N 2.7Å
45	V	30.2	Very low	31.9	Very low	106 Å²	106	87.1 Å²	87.1	64%	0.642	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-15.7	-166.9	-173.2	0	0	0	0	112.8	Y42	Y42-V45 PolarHBondContact O-N 3.18Å
46	I	31.2	Very low	31.6	Very low	59 Å²	59	88.5 Å²	88.5	30%	0.303	46%	0.461	S	S	.	.			trans	-133.2	79.4	-175	-47.9	179.9	0	0	0	110.3	T48 A49 L77	I46-T48 PolarHBondContact O-N 2.89Å; I46-A49 HydrophobicContact CG2-CB 3.44Å; I46-A49 VanDerWaalsContact CG2-CB 3.44Å; I46-L77 HydrophobicContact CD1-CD1 4.15Å
47	P	27.5	Very low	31.3	Very low	108 Å²	108	89.3 Å²	89.3	70%	0.701	46%	0.455	S	S	*	.	S	Bend	trans	-63.7	-18.3	170.7	-16.1	29.9	0	0	0	111.7
48	T	30.8	Very low	31.1	Very low	60 Å²	60	84.3 Å²	84.3	37%	0.368	44%	0.441	S	S	.	.			trans	-169.8	119.6	-171.5	-15.5	0	0	0	0	106.4	I46 Y72	I46-T48 PolarHBondContact O-N 2.89Å; T48-Y72 HydrophobicContact CG2-CE1 4.5Å; T48-Y72 HydrophobicContact CG2-CE2 3.48Å; T48-Y72 VanDerWaalsContact CG2-CE2 3.48Å; T48-Y72 WeakPolarHBondContact CG2-OH 3.32Å; T48-Y72 WeakPolarHBondContact O-CD2 3Å; T48-Y72 WeakPolarHBondContact O-CE2 3.32Å
49	A	32.9	Very low	30.6	Very low	5 Å²	5	86.7 Å²	86.7	4%	0.041	45%	0.452	C	S	.	.			trans	-121	122.2	166.2	0	0	0	0	0	108.1	I12 I46 I69	I12-A49 VanDerWaalsContact O-O 3.09Å; I46-A49 HydrophobicContact CG2-CB 3.44Å; I46-A49 VanDerWaalsContact CG2-CB 3.44Å; A49-I69 HydrophobicContact CB-CG2 4.38Å
50	I	35.3	Very low	30.4	Very low	15 Å²	15	82.8 Å²	82.8	8%	0.077	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-89.8	124.5	166.4	-67.9	162.4	0	0	0	106.5	F52 Y72 P113	I50-F52 HydrophobicContact CB-CE2 3.91Å; I50-F52 HydrophobicContact CB-CZ 3.8Å; I50-F52 HydrophobicContact CD1-CZ 4.48Å; I50-F52 HydrophobicContact CG2-CD1 4.34Å; I50-F52 HydrophobicContact CG2-CD2 4.42Å; I50-F52 HydrophobicContact CG2-CE1 3.62Å; I50-F52 HydrophobicContact CG2-CE2 3.74Å; I50-F52 HydrophobicContact CG2-CZ 3.24Å; I50-F52 PolarHBondContact O-N 2.99Å; I50-Y72 HydrophobicContact CB-CE2 4.23Å; I50-Y72 HydrophobicContact CD1-CD1 3.8Å; I50-Y72 HydrophobicContact CD1-CD2 4.33Å; I50-Y72 HydrophobicContact CD1-CE1 3.21Å; I50-Y72 HydrophobicContact CD1-CE2 3.75Å; I50-Y72 HydrophobicContact CD1-CG 4.35Å; I50-Y72 WeakPolarHBondContact CD1-OH 3.39Å; I50-Y72 HydrophobicContact CG1-CD2 4.25Å; I50-Y72 HydrophobicContact CG1-CE1 3.92Å; I50-Y72 HydrophobicContact CG1-CE2 3.48Å; I50-Y72 VanDerWaalsContact CG1-CE2 3.48Å; I50-Y72 WeakPolarHBondContact CG1-OH 3.3Å; I50-P113 HydrophobicContact CD1-CG 3.65Å
51	M	37.1	Very low	30.2	Very low	21 Å²	21	83.4 Å²	83.4	10%	0.103	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-73.9	116.3	170.4	-83.5	-165.4	-115.9	0	0	110	V13 F29 I31 L67 L90	V13-M51 HydrophobicContact CB-CE 4.28Å; V13-M51 HydrophobicContact CG1-CE 4.13Å; V13-M51 HydrophobicContact CG2-CE 3.27Å; V13-M51 HydrophobicContact CG2-CG 4.47Å; F29-M51 HydrophobicContact CE2-CE 4.26Å; F29-M51 HydrophobicContact CZ-CE 4.17Å; I31-M51 HydrophobicContact CD1-CE 3.85Å; M51-L67 HydrophobicContact CE-CD1 4.49Å; M51-L67 HydrophobicContact SD-CB 4.21Å; M51-L67 HydrophobicContact SD-CD1 3.63Å; M51-L90 HydrophobicContact CE-CD1 4.36Å; M51-L90 HydrophobicContact SD-CD1 4.22Å
52	F	33.9	Very low	30.2	Very low	31 Å²	31	83 Å²	83	14%	0.136	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-99.8	121.5	160.7	-59.6	-67.4	0	0	0	108.7	I50 P54 S70 I110 P112	I50-F52 HydrophobicContact CB-CE2 3.91Å; I50-F52 HydrophobicContact CB-CZ 3.8Å; I50-F52 HydrophobicContact CD1-CZ 4.48Å; I50-F52 HydrophobicContact CG2-CD1 4.34Å; I50-F52 HydrophobicContact CG2-CD2 4.42Å; I50-F52 HydrophobicContact CG2-CE1 3.62Å; I50-F52 HydrophobicContact CG2-CE2 3.74Å; I50-F52 HydrophobicContact CG2-CZ 3.24Å; I50-F52 PolarHBondContact O-N 2.99Å; F52-P54 WeakPolarHBondContact O-CD 2.93Å; F52-S70 WeakPolarHBondContact CD2-OG 3.39Å; F52-I110 HydrophobicContact CD1-CB 4.41Å; F52-I110 WeakPolarHBondContact CD1-O 3.16Å; F52-I110 HydrophobicContact CE1-CB 4.34Å; F52-I110 HydrophobicContact CE1-CG2 4.22Å; F52-I110 WeakPolarHBondContact CE1-O 3.21Å; F52-P112 HydrophobicContact CE1-CB 3.98Å; F52-P112 HydrophobicContact CE1-CG 3.7Å; F52-P112 HydrophobicContact CE2-CB 4Å; F52-P112 HydrophobicContact CE2-CG 3.78Å; F52-P112 HydrophobicContact CZ-CB 3.28Å; F52-P112 HydrophobicContact CZ-CG 3.26Å
53	L	32.4	Very low	30.1	Very low	50 Å²	50	88.1 Å²	88.1	26%	0.262	47%	0.469	S	S	.	.			trans	-99.7	104.4	179.5	-65.8	174	0	0	0	110.3	N55 L67 I104	L53-N55 PolarHBondContact O-N 2.93Å; L53-L67 HydrophobicContact CD1-CD2 3.93Å; L53-L67 HydrophobicContact CD2-CB 3.74Å; L53-L67 HydrophobicContact CD2-CD1 4.29Å; L53-L67 HydrophobicContact CD2-CD2 3.22Å; L53-L67 HydrophobicContact CD2-CG 3.91Å; L53-L67 HydrophobicContact CG-CD2 4.22Å; L53-I104 HydrophobicContact CD1-CD1 4.23Å; L53-I104 HydrophobicContact CD1-CG1 3.64Å
54	P	29.4	Very low	30.2	Very low	50 Å²	50	85.7 Å²	85.7	33%	0.325	45%	0.446	S	S	.	.			trans	-77	113.3	166.5	29.9	-28	0	0	0	109.5	F52 T56 P68	F52-P54 WeakPolarHBondContact O-CD 2.93Å; P54-T56 VanDerWaalsContact C-N 3.25Å; P54-T56 PolarHBondContact O-N 3.35Å; P54-P68 VanDerWaalsContact CD-CG 3.47Å; P54-P68 HydrophobicContact CG-CG 3.77Å
55	N	29.7	Very low	30.6	Very low	89 Å²	89	78.6 Å²	78.6	48%	0.476	41%	0.413	S	S	.	.	S	Bend	trans	11.4	0.2	158.6	-96.9	-38.3	0	0	0	125.6	L53 N107	L53-N55 PolarHBondContact O-N 2.93Å; N55-N107 PolarHBondContact ND2-ND2 2.93Å; N55-N107 PolarHBondContact ND2-OD1 3.08Å; N55-N107 PolarHBondContact OD1-ND2 3.31Å; N55-N107 PolarHBondContact OD1-OD1 2.86Å
56	T	29	Very low	31	Very low	98 Å²	98	74.5 Å²	74.5	60%	0.601	39%	0.389	S	S	*	.			trans	-153.4	62.8	-162	54	0	0	0	0	114.6	P54	P54-T56 VanDerWaalsContact C-N 3.25Å; P54-T56 PolarHBondContact O-N 3.35Å
57	Y	29.4	Very low	31.6	Very low	153 Å²	153	72.2 Å²	72.2	60%	0.6	38%	0.377	S	S	*	.			trans	-151.2	87.9	157.2	-80.8	-72.2	0	0	0	111.5
58	H	29	Very low	32.2	Very low	116 Å²	116	68.8 Å²	68.8	54%	0.537	36%	0.355	S	S	.	.			trans	-96.2	97.5	161.3	-116.3	-81.9	0	0	0	106.8	V60	H58-V60 HydrophobicContact CB-CG2 4.3Å; H58-V60 PolarHBondContact O-N 3.06Å
59	N	27.6	Very low	33	Very low	82 Å²	82	67.1 Å²	67.1	44%	0.439	34%	0.344	S	S	.	.			trans	-86.8	98.7	169.3	-165.1	-5.2	0	0	0	108.1	F61	N59-F61 PolarHBondContact O-N 3.12Å
60	V	26.9	Very low	33.4	Very low	117 Å²	117	67.2 Å²	67.2	71%	0.709	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	6.7	-173.2	-174.6	0	0	0	0	112.1	H58	H58-V60 HydrophobicContact CB-CG2 4.3Å; H58-V60 PolarHBondContact O-N 3.06Å
61	F	27.7	Very low	33.5	Very low	198 Å²	198	68.7 Å²	68.7	87%	0.868	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-3.6	-174	-91.4	-87	0	0	0	116.1	N59	N59-F61 PolarHBondContact O-N 3.12Å
62	S	27.1	Very low	33.2	Very low	54 Å²	54	71.8 Å²	71.8	38%	0.378	36%	0.363	S	S	.	.	S	Bend	trans	-147.7	148.2	176.3	58.6	0	0	0	0	109.4	T64	S62-T64 WeakPolarHBondContact CB-OG1 2.91Å; S62-T64 PolarHBondContact O-N 3.16Å; S62-T64 PolarHBondContact OG-OG1 3.18Å
63	K	29.1	Very low	33.3	Very low	191 Å²	191	74 Å²	74	83%	0.83	38%	0.383	S	S	*	.	S	Bend	trans	-67.8	32.7	175	-70.2	-177.4	171.7	-170.8	0	112.7
64	T	31.3	Very low	33.5	Very low	31 Å²	31	73.9 Å²	73.9	19%	0.19	39%	0.394	C	S	.	.			trans	-121.1	125.8	-171.9	-4.2	0	0	0	0	108.3	S62 D89 S91	S62-T64 WeakPolarHBondContact CB-OG1 2.91Å; S62-T64 PolarHBondContact O-N 3.16Å; S62-T64 PolarHBondContact OG-OG1 3.18Å; T64-D89 HydrophobicContact CG2-CB 4.49Å; T64-S91 WeakPolarHBondContact CG2-OG 3.41Å
65	L	36.2	Very low	33.8	Very low	16 Å²	16	80.3 Å²	80.3	8%	0.084	41%	0.412	C	S	.	.			trans	-101.4	95	178	-169	74.4	0	0	0	108.5	L67 L90 L92 A100 L101 I104	L65-L67 HydrophobicContact CD2-CD1 4.12Å; L65-L67 HydrophobicContact CD2-CD2 3.63Å; L65-L67 HydrophobicContact CD2-CG 4.02Å; L65-L67 HydrophobicContact CG-CD2 3.79Å; L65-L67 HydrophobicContact CG-CG 4.13Å; L65-L67 PolarHBondContact O-N 3.28Å; L65-L67 VanDerWaalsContact O-N 3.14Å; L65-L90 CarbonylContact C-O 3.17Å; L65-L92 HydrophobicContact CB-CD1 4.21Å; L65-L92 HydrophobicContact CD2-CD1 3.41Å; L65-L92 VanDerWaalsContact CD2-CD1 3.41Å; L65-L92 HydrophobicContact CG-CD1 4.42Å; L65-A100 HydrophobicContact CD2-CB 3.54Å; L65-L101 HydrophobicContact CD1-CD2 3.96Å; L65-L101 HydrophobicContact CD1-CG 4.23Å; L65-I104 HydrophobicContact CD1-CD1 3.9Å; L65-I104 HydrophobicContact CD2-CD1 3.81Å; L65-I104 HydrophobicContact CG-CD1 4.23Å
66	S	38	Very low	34.4	Very low	21 Å²	21	82.6 Å²	82.6	15%	0.147	41%	0.413	C	S	.	.			trans	-71.7	107.1	176.5	-43.5	0	0	0	0	109.6	D89	S66-D89 WeakPolarHBondContact CB-OD1 3.22Å; S66-D89 PolarHBondContact OG-OD1 3.22Å
67	L	42.7	Very low	35	Very low	10 Å²	10	81.4 Å²	81.4	5%	0.052	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-103.4	125.3	178.5	-59.9	172.2	0	0	0	109.8	M51 L53 L65 I69 L90 L92 I104	M51-L67 HydrophobicContact CE-CD1 4.49Å; M51-L67 HydrophobicContact SD-CB 4.21Å; M51-L67 HydrophobicContact SD-CD1 3.63Å; L53-L67 HydrophobicContact CD1-CD2 3.93Å; L53-L67 HydrophobicContact CD2-CB 3.74Å; L53-L67 HydrophobicContact CD2-CD1 4.29Å; L53-L67 HydrophobicContact CD2-CD2 3.22Å; L53-L67 HydrophobicContact CD2-CG 3.91Å; L53-L67 HydrophobicContact CG-CD2 4.22Å; L65-L67 HydrophobicContact CD2-CD1 4.12Å; L65-L67 HydrophobicContact CD2-CD2 3.63Å; L65-L67 HydrophobicContact CD2-CG 4.02Å; L65-L67 HydrophobicContact CG-CD2 3.79Å; L65-L67 HydrophobicContact CG-CG 4.13Å; L65-L67 PolarHBondContact O-N 3.28Å; L65-L67 VanDerWaalsContact O-N 3.14Å; L67-I69 PolarHBondContact O-N 3.04Å; L67-L90 HydrophobicContact CB-CD1 3.89Å; L67-L90 HydrophobicContact CD1-CD1 4.44Å; L67-L92 HydrophobicContact CD1-CD1 4.24Å; L67-I104 HydrophobicContact CD2-CD1 3.71Å
68	P	41.2	Very low	35.2	Very low	37 Å²	37	76.5 Å²	76.5	24%	0.24	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-66.5	122.8	172.6	28.8	-34.5	0	0	0	109.4	P54	P54-P68 VanDerWaalsContact CD-CG 3.47Å; P54-P68 HydrophobicContact CG-CG 3.77Å
69	I	48	Very low	35.3	Very low	24 Å²	24	75.1 Å²	75.1	12%	0.123	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-87.2	138.7	176.6	-46.2	-174.5	0	0	0	108.7	A49 L67 L77 L88 L90	A49-I69 HydrophobicContact CB-CG2 4.38Å; L67-I69 PolarHBondContact O-N 3.04Å; I69-L77 HydrophobicContact CB-CB 4.43Å; I69-L77 HydrophobicContact CB-CD1 3.98Å; I69-L77 HydrophobicContact CG2-CD1 3.52Å; I69-L77 HydrophobicContact CG2-CG 4.4Å; I69-L77 WeakPolarHBondContact O-CB 3.35Å; I69-L77 PolarHBondContact O-N 3.39Å; I69-L88 HydrophobicContact CD1-CD2 3.44Å; I69-L88 VanDerWaalsContact CD1-CD2 3.44Å; I69-L88 HydrophobicContact CG1-CD2 4.34Å; I69-L90 HydrophobicContact CD1-CD1 3.84Å; I69-L90 HydrophobicContact CD1-CD2 4.32Å; I69-L90 HydrophobicContact CD1-CG 4.39Å; I69-L90 HydrophobicContact CG1-CD1 3.9Å
70	S	39.5	Very low	35.4	Very low	8 Å²	8	77 Å²	77	6%	0.056	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-123.4	149.7	170.5	28.5	0	0	0	0	109.3	F52 R75	F52-S70 WeakPolarHBondContact CD2-OG 3.39Å; S70-R75 CarbonylContact C-O 3.52Å; S70-R75 WeakPolarHBondContact CA-O 3.37Å; S70-R75 VanDerWaalsContact CB-O 3.3Å; S70-R75 WeakPolarHBondContact CB-O 3.4Å
71	D	38.7	Very low	35.6	Very low	46 Å²	46	74.9 Å²	74.9	25%	0.246	39%	0.391	C	S	.	.			trans	-76.9	171.7	170.4	69.9	14.2	0	0	0	110.7	S73 G74 R75 L77	D71-S73 PolarHBondContact O-N 2.98Å; D71-S73 VanDerWaalsContact OD1-CA 3.31Å; D71-S73 WeakPolarHBondContact OD1-CA 3.39Å; D71-S73 WeakPolarHBondContact OD1-CB 3.36Å; D71-S73 PolarHBondContact OD1-N 3.47Å; D71-S73 PolarHBondContact OD1-OG 3.27Å; D71-S73 PolarHBondContact OD2-OG 2.77Å; D71-S73 VanDerWaalsContact OD2-OG 3.06Å; D71-G74 PolarHBondContact O-N 2.81Å; D71-G74 PolarHBondContact OD1-N 2.69Å; D71-R75 PolarHBondContact N-O 3.44Å; D71-R75 WeakPolarHBondContact OD1-CB 3.24Å; D71-R75 PolarHBondContact OD1-N 2.8Å; D71-L77 HydrophobicContact CB-CD2 4.06Å
72	Y	31.3	Very low	35.7	Very low	85 Å²	85	72.7 Å²	72.7	33%	0.333	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.8	176.6	-96.6	-108.7	0	0	0	114	T48 I50 G74	T48-Y72 HydrophobicContact CG2-CE1 4.5Å; T48-Y72 HydrophobicContact CG2-CE2 3.48Å; T48-Y72 VanDerWaalsContact CG2-CE2 3.48Å; T48-Y72 WeakPolarHBondContact CG2-OH 3.32Å; T48-Y72 WeakPolarHBondContact O-CD2 3Å; T48-Y72 WeakPolarHBondContact O-CE2 3.32Å; I50-Y72 HydrophobicContact CB-CE2 4.23Å; I50-Y72 HydrophobicContact CD1-CD1 3.8Å; I50-Y72 HydrophobicContact CD1-CD2 4.33Å; I50-Y72 HydrophobicContact CD1-CE1 3.21Å; I50-Y72 HydrophobicContact CD1-CE2 3.75Å; I50-Y72 HydrophobicContact CD1-CG 4.35Å; I50-Y72 WeakPolarHBondContact CD1-OH 3.39Å; I50-Y72 HydrophobicContact CG1-CD2 4.25Å; I50-Y72 HydrophobicContact CG1-CE1 3.92Å; I50-Y72 HydrophobicContact CG1-CE2 3.48Å; I50-Y72 VanDerWaalsContact CG1-CE2 3.48Å; I50-Y72 WeakPolarHBondContact CG1-OH 3.3Å; Y72-G74 PolarHBondContact O-N 3.39Å
73	S	35.6	Very low	35.8	Very low	79 Å²	79	74.2 Å²	74.2	55%	0.552	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	2.4	177.9	79	0	0	0	0	113.1	D71 R75	D71-S73 PolarHBondContact O-N 2.98Å; D71-S73 VanDerWaalsContact OD1-CA 3.31Å; D71-S73 WeakPolarHBondContact OD1-CA 3.39Å; D71-S73 WeakPolarHBondContact OD1-CB 3.36Å; D71-S73 PolarHBondContact OD1-N 3.47Å; D71-S73 PolarHBondContact OD1-OG 3.27Å; D71-S73 PolarHBondContact OD2-OG 2.77Å; D71-S73 VanDerWaalsContact OD2-OG 3.06Å; S73-R75 PolarHBondContact O-N 2.72Å; S73-R75 WeakPolarHBondContact OG-CD 3.35Å; S73-R75 VanDerWaalsContact OG-CG 3.29Å; S73-R75 WeakPolarHBondContact OG-CG 3.19Å
74	G	35.8	Very low	35.8	Very low	47 Å²	47	73.3 Å²	73.3	49%	0.485	40%	0.404	S	S	.	.	S	Bend	trans	71.7	6.5	-174.8	0	0	0	0	0	112.7	D71 Y72 R76	D71-G74 PolarHBondContact O-N 2.81Å; D71-G74 PolarHBondContact OD1-N 2.69Å; Y72-G74 PolarHBondContact O-N 3.39Å; G74-R76 PolarHBondContact O-N 3.45Å
75	R	36.5	Very low	35.9	Very low	185 Å²	185	73.5 Å²	73.5	70%	0.698	41%	0.412	S	S	*	.			trans	-70.1	121.7	168.4	-69.9	174	171.4	-179.3	-3.1	106.2	S70 D71 S73 L77	S70-R75 CarbonylContact C-O 3.52Å; S70-R75 WeakPolarHBondContact CA-O 3.37Å; S70-R75 VanDerWaalsContact CB-O 3.3Å; S70-R75 WeakPolarHBondContact CB-O 3.4Å; D71-R75 PolarHBondContact N-O 3.44Å; D71-R75 WeakPolarHBondContact OD1-CB 3.24Å; D71-R75 PolarHBondContact OD1-N 2.8Å; S73-R75 PolarHBondContact O-N 2.72Å; S73-R75 WeakPolarHBondContact OG-CD 3.35Å; S73-R75 VanDerWaalsContact OG-CG 3.29Å; S73-R75 WeakPolarHBondContact OG-CG 3.19Å; R75-L77 PolarHBondContact O-N 2.91Å
76	R	41.1	Very low	35.7	Very low	136 Å²	136	77.6 Å²	77.6	51%	0.513	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-50.9	129.6	161.9	-76	-173.2	171.8	-169.2	-2	106.3	G74 S78	G74-R76 PolarHBondContact O-N 3.45Å; R76-S78 WeakPolarHBondContact CB-OG 3.49Å; R76-S78 PolarHBondContact O-N 3.48Å; R76-S78 PolarHBondContact O-OG 3.3Å
77	L	41.6	Very low	35.7	Very low	73 Å²	73	80.7 Å²	80.7	38%	0.382	46%	0.459	S	S	.	.	S	Bend	trans	-70.6	49.9	160.3	-62.3	178.2	0	0	0	107.9	I46 I69 D71 R75	I46-L77 HydrophobicContact CD1-CD1 4.15Å; I69-L77 HydrophobicContact CB-CB 4.43Å; I69-L77 HydrophobicContact CB-CD1 3.98Å; I69-L77 HydrophobicContact CG2-CD1 3.52Å; I69-L77 HydrophobicContact CG2-CG 4.4Å; I69-L77 WeakPolarHBondContact O-CB 3.35Å; I69-L77 PolarHBondContact O-N 3.39Å; D71-L77 HydrophobicContact CB-CD2 4.06Å; R75-L77 PolarHBondContact O-N 2.91Å
78	S	34.5	Very low	35.5	Very low	50 Å²	50	83.8 Å²	83.8	35%	0.35	48%	0.476	S	S	.	.			trans	-78.4	-3.2	166	45.4	0	0	0	0	111	R76 E82	R76-S78 WeakPolarHBondContact CB-OG 3.49Å; R76-S78 PolarHBondContact O-N 3.48Å; R76-S78 PolarHBondContact O-OG 3.3Å; S78-E82 WeakPolarHBondContact O-CG 3.38Å; S78-E82 PolarHBondContact O-N 3.3Å
79	S	30.3	Very low	35.5	Very low	87 Å²	87	86 Å²	86	61%	0.608	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	23.8	-167.5	66.3	0	0	0	0	116.6
80	V	30.4	Very low	35.3	Very low	121 Å²	121	85.3 Å²	85.3	73%	0.733	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	18.5	154.3	-159.6	0	0	0	0	111.2
81	Q	31	Very low	35.4	Very low	74 Å²	74	89.1 Å²	89.1	35%	0.346	51%	0.508	S	S	.	.	S	Bend	trans	-143.2	19	172.1	-149.3	162.2	54.9	0	0	115	G85 P86 P87	Q81-G85 VanDerWaalsContact CG-C 3.4Å; Q81-G85 VanDerWaalsContact CG-CA 3.48Å; Q81-G85 WeakPolarHBondContact CG-O 3.48Å; Q81-P86 VanDerWaalsContact NE2-C 3.28Å; Q81-P86 PolarHBondContact NE2-O 3.07Å; Q81-P86 PolarHBondContact OE1-O 3.01Å; Q81-P87 VanDerWaalsContact OE1-N 3.13Å
82	E	30.1	Very low	35.7	Very low	152 Å²	152	88.1 Å²	88.1	71%	0.71	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	85.2	150.5	-71.5	170.3	-174.6	0	0	104.8	S78	S78-E82 WeakPolarHBondContact O-CG 3.38Å; S78-E82 PolarHBondContact O-N 3.3Å
83	A	28.9	Very low	36.1	Very low	86 Å²	86	90.6 Å²	90.6	71%	0.711	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn		-149.9	-4.5	86.7	0	0	0	0	0	117.1
84	N	29.4	Very low	36.4	Very low	171 Å²	171	92.8 Å²	92.8	91%	0.914	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-165.4	21.6	-171.6	-90.3	-35.2	0	0	0	116.9
85	G	33.1	Very low	36.7	Very low	36 Å²	36	97 Å²	97	37%	0.371	53%	0.532	S	S	.	.			trans	-120.4	158.2	-173.6	0	0	0	0	0	115.7	Q81	Q81-G85 VanDerWaalsContact CG-C 3.4Å; Q81-G85 VanDerWaalsContact CG-CA 3.48Å; Q81-G85 WeakPolarHBondContact CG-O 3.48Å
86	P	32.7	Very low	37.1	Very low	101 Å²	101	92.4 Å²	92.4	66%	0.656	52%	0.518	S	S	*	.			trans	-80.5	137.5	177.3	31.7	-33	0	0	0	112.6	Q81	Q81-P86 VanDerWaalsContact NE2-C 3.28Å; Q81-P86 PolarHBondContact NE2-O 3.07Å; Q81-P86 PolarHBondContact OE1-O 3.01Å
87	P	37.2	Very low	37.3	Very low	87 Å²	87	86.8 Å²	86.8	57%	0.565	50%	0.501	S	S	*	.			trans	-40	141.1	-173.5	16.8	-31.9	0	0	0	113.7	Q81 D89	Q81-P87 VanDerWaalsContact OE1-N 3.13Å; P87-D89 PolarHBondContact O-N 2.9Å
88	L	38.8	Very low	37.6	Very low	75 Å²	75	86.1 Å²	86.1	39%	0.393	51%	0.506	S	S	.	.			trans	-63.9	99.1	172.2	-174.4	69.7	0	0	0	109.3	I69	I69-L88 HydrophobicContact CD1-CD2 3.44Å; I69-L88 VanDerWaalsContact CD1-CD2 3.44Å; I69-L88 HydrophobicContact CG1-CD2 4.34Å
89	D	40.8	Very low	38.1	Very low	84 Å²	84	87.4 Å²	87.4	45%	0.449	51%	0.505	S	S	.	.			trans	-77.6	122.7	176.9	-81.7	-21.7	0	0	0	110.4	T64 S66 P87	T64-D89 HydrophobicContact CG2-CB 4.49Å; S66-D89 WeakPolarHBondContact CB-OD1 3.22Å; S66-D89 PolarHBondContact OG-OD1 3.22Å; P87-D89 PolarHBondContact O-N 2.9Å
90	L	44.3	Very low	39.1	Very low	8 Å²	8	83.8 Å²	83.8	4%	0.042	48%	0.481	C	S	.	.			trans	-95.9	109.8	169.2	-69.1	168.9	0	0	0	108.2	I31 M51 L65 L67 I69 L92	I31-L90 HydrophobicContact CD1-CD2 4.03Å; I31-L90 HydrophobicContact CG2-CD2 3.81Å; M51-L90 HydrophobicContact CE-CD1 4.36Å; M51-L90 HydrophobicContact SD-CD1 4.22Å; L65-L90 CarbonylContact C-O 3.17Å; L67-L90 HydrophobicContact CB-CD1 3.89Å; L67-L90 HydrophobicContact CD1-CD1 4.44Å; I69-L90 HydrophobicContact CD1-CD1 3.84Å; I69-L90 HydrophobicContact CD1-CD2 4.32Å; I69-L90 HydrophobicContact CD1-CG 4.39Å; I69-L90 HydrophobicContact CG1-CD1 3.9Å; L90-L92 PolarHBondContact O-N 3.26Å
91	S	40.5	Very low	39.9	Very low	88 Å²	88	80.3 Å²	80.3	62%	0.615	46%	0.458	S	S	*	.			trans	-82.3	106.1	170.8	-68.7	0	0	0	0	109.3	T64	T64-S91 WeakPolarHBondContact CG2-OG 3.41Å
92	L	45.1	Very low	40.6	Very low	26 Å²	26	81.2 Å²	81.2	14%	0.136	46%	0.462	C	S	.	.			trans	-83.1	138	169.5	-64.5	175.4	0	0	0	109.8	L65 L67 L90 H96 A97 A100	L65-L92 HydrophobicContact CB-CD1 4.21Å; L65-L92 HydrophobicContact CD2-CD1 3.41Å; L65-L92 VanDerWaalsContact CD2-CD1 3.41Å; L65-L92 HydrophobicContact CG-CD1 4.42Å; L67-L92 HydrophobicContact CD1-CD1 4.24Å; L90-L92 PolarHBondContact O-N 3.26Å; L92-H96 HydrophobicContact CB-CB 4.2Å; L92-H96 HydrophobicContact CD2-CB 4.3Å; L92-A97 HydrophobicContact CB-CB 3.98Å; L92-A100 HydrophobicContact CD1-CB 3.29Å
93	M	39.6	Very low	41.4	Very low	136 Å²	136	75.3 Å²	75.3	67%	0.67	44%	0.435	S	S	*	.			trans	-67.2	152.6	169.1	-61.8	179.2	64.8	0	0	109.9	E95 H96 A97	M93-E95 VanDerWaalsContact C-N 3.28Å; M93-E95 PolarHBondContact O-N 3.4Å; M93-H96 CarbonylContact O-C 3.38Å; M93-H96 WeakPolarHBondContact O-CA 3.17Å; M93-H96 WeakPolarHBondContact O-CB 3.5Å; M93-H96 PolarHBondContact O-N 3.48Å; M93-A97 PolarHBondContact O-N 3.33Å
94	D	41.9	Very low	42.3	Very low	126 Å²	126	72.7 Å²	72.7	67%	0.674	41%	0.409	S	S	*	.	H	α-helix	trans	-48.3	-42.9	-166.8	-68.6	-38.1	0	0	0	114.5	H96 A97 A98	D94-H96 VanDerWaalsContact C-N 3.33Å; D94-H96 PolarHBondContact O-N 2.93Å; D94-A97 PolarHBondContact O-N 3.2Å; D94-A98 PolarHBondContact O-N 3.36Å; D94-A98 VanDerWaalsContact O-N 3.11Å
95	E	42.8	Very low	42.7	Very low	135 Å²	135	71.8 Å²	71.8	63%	0.631	40%	0.397	S	S	*	.	H	α-helix	trans	-65.2	-34.3	177.5	65.9	-166.2	169.6	0	0	113.3	M93	M93-E95 VanDerWaalsContact C-N 3.28Å; M93-E95 PolarHBondContact O-N 3.4Å
96	H	45.1	Very low	42.9	Very low	88 Å²	88	70.7 Å²	70.7	41%	0.407	38%	0.383	S	S	.	.	H	α-helix	trans	-83.3	-30.7	178.5	-56.7	109.1	0	0	0	111.7	L92 M93 D94 F99 A100	L92-H96 HydrophobicContact CB-CB 4.2Å; L92-H96 HydrophobicContact CD2-CB 4.3Å; M93-H96 CarbonylContact O-C 3.38Å; M93-H96 WeakPolarHBondContact O-CA 3.17Å; M93-H96 WeakPolarHBondContact O-CB 3.5Å; M93-H96 PolarHBondContact O-N 3.48Å; D94-H96 VanDerWaalsContact C-N 3.33Å; D94-H96 PolarHBondContact O-N 2.93Å; H96-F99 PolarHBondContact O-N 3.27Å; H96-A100 VanDerWaalsContact O-CB 3.29Å; H96-A100 WeakPolarHBondContact O-CB 3.34Å; H96-A100 PolarHBondContact O-N 2.87Å
97	A	45.7	Very low	43.1	Very low	19 Å²	19	70 Å²	70	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-43.6	175	0	0	0	0	0	110.9	L92 M93 D94 F99 A100 L101	L92-A97 HydrophobicContact CB-CB 3.98Å; M93-A97 PolarHBondContact O-N 3.33Å; D94-A97 PolarHBondContact O-N 3.2Å; A97-F99 VanDerWaalsContact C-N 3.35Å; A97-F99 PolarHBondContact O-N 3.28Å; A97-A100 PolarHBondContact O-N 3.16Å; A97-L101 WeakPolarHBondContact O-CB 3.29Å; A97-L101 WeakPolarHBondContact O-CD1 3.42Å; A97-L101 WeakPolarHBondContact O-CG 3.49Å; A97-L101 PolarHBondContact O-N 3.46Å
98	A	46.7	Very low	43	Very low	58 Å²	58	67.6 Å²	67.6	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-46.2	175.7	0	0	0	0	0	111.8	D94 L101 E102	D94-A98 PolarHBondContact O-N 3.36Å; D94-A98 VanDerWaalsContact O-N 3.11Å; A98-L101 PolarHBondContact O-N 3.46Å; A98-E102 WeakPolarHBondContact O-CB 3.17Å; A98-E102 PolarHBondContact O-N 3.46Å
99	F	46.7	Very low	42.8	Very low	77 Å²	77	71.3 Å²	71.3	34%	0.338	37%	0.372	S	S	.	.	H	α-helix	trans	-69.2	-42	179.7	-175.7	-108	0	0	0	113.1	L15 H96 A97 E102 L103	L15-F99 HydrophobicContact CD1-CD1 4.19Å; L15-F99 HydrophobicContact CD1-CE1 3.63Å; L15-F99 HydrophobicContact CD2-CE1 3.68Å; L15-F99 HydrophobicContact CG-CE1 4.14Å; H96-F99 PolarHBondContact O-N 3.27Å; A97-F99 VanDerWaalsContact C-N 3.35Å; A97-F99 PolarHBondContact O-N 3.28Å; F99-E102 WeakPolarHBondContact O-CB 3.21Å; F99-E102 PolarHBondContact O-N 3.14Å; F99-L103 HydrophobicContact CD1-CD1 3.92Å; F99-L103 HydrophobicContact CE1-CD1 3.52Å; F99-L103 HydrophobicContact CE1-CG 4.2Å; F99-L103 HydrophobicContact CZ-CD1 4.04Å; F99-L103 HydrophobicContact CZ-CD2 4.44Å; F99-L103 HydrophobicContact CZ-CG 4.31Å; F99-L103 WeakPolarHBondContact O-CG 3.33Å; F99-L103 PolarHBondContact O-N 3.24Å
100	A	49.9	Very low	42.6	Very low	12 Å²	12	69.7 Å²	69.7	10%	0.099	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-39.4	174.9	0	0	0	0	0	112	L65 L92 H96 A97 E102 L103 I104	L65-A100 HydrophobicContact CD2-CB 3.54Å; L92-A100 HydrophobicContact CD1-CB 3.29Å; H96-A100 VanDerWaalsContact O-CB 3.29Å; H96-A100 WeakPolarHBondContact O-CB 3.34Å; H96-A100 PolarHBondContact O-N 2.87Å; A97-A100 PolarHBondContact O-N 3.16Å; A100-E102 VanDerWaalsContact C-N 3.29Å; A100-E102 PolarHBondContact O-N 2.84Å; A100-L103 PolarHBondContact O-N 2.93Å; A100-I104 WeakPolarHBondContact O-CB 3.33Å; A100-I104 WeakPolarHBondContact O-CD1 3.18Å; A100-I104 WeakPolarHBondContact O-CG1 3.21Å; A100-I104 PolarHBondContact O-N 3.5Å
101	L	47.4	Very low	42	Very low	48 Å²	48	73.8 Å²	73.8	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-61	-38.8	172	-81.7	161.1	0	0	0	111.6	L65 A97 A98 I104 K105	L65-L101 HydrophobicContact CD1-CD2 3.96Å; L65-L101 HydrophobicContact CD1-CG 4.23Å; A97-L101 WeakPolarHBondContact O-CB 3.29Å; A97-L101 WeakPolarHBondContact O-CD1 3.42Å; A97-L101 WeakPolarHBondContact O-CG 3.49Å; A97-L101 PolarHBondContact O-N 3.46Å; A98-L101 PolarHBondContact O-N 3.46Å; L101-I104 PolarHBondContact O-N 2.61Å; L101-K105 WeakPolarHBondContact O-CB 3.39Å; L101-K105 WeakPolarHBondContact O-CG 3.37Å; L101-K105 PolarHBondContact O-N 2.87Å
102	E	46.1	Very low	41.6	Very low	93 Å²	93	72 Å²	72	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-66.6	-44.8	176	-161	172.1	-170.6	0	0	111.2	A98 F99 A100 I104 K105 C106	A98-E102 WeakPolarHBondContact O-CB 3.17Å; A98-E102 PolarHBondContact O-N 3.46Å; F99-E102 WeakPolarHBondContact O-CB 3.21Å; F99-E102 PolarHBondContact O-N 3.14Å; A100-E102 VanDerWaalsContact C-N 3.29Å; A100-E102 PolarHBondContact O-N 2.84Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 2.87Å; E102-K105 PolarHBondContact O-N 2.9Å; E102-C106 WeakPolarHBondContact O-CB 3.24Å; E102-C106 PolarHBondContact O-N 2.57Å; E102-C106 PolarHBondContact O-SG 3.34Å
103	L	46.4	Very low	41	Very low	27 Å²	27	73.9 Å²	73.9	14%	0.141	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-39.6	173.6	-71.2	173.5	0	0	0	112.9	L15 F99 A100 C106 L108	L15-L103 HydrophobicContact CD2-CD1 4.14Å; F99-L103 HydrophobicContact CD1-CD1 3.92Å; F99-L103 HydrophobicContact CE1-CD1 3.52Å; F99-L103 HydrophobicContact CE1-CG 4.2Å; F99-L103 HydrophobicContact CZ-CD1 4.04Å; F99-L103 HydrophobicContact CZ-CD2 4.44Å; F99-L103 HydrophobicContact CZ-CG 4.31Å; F99-L103 WeakPolarHBondContact O-CG 3.33Å; F99-L103 PolarHBondContact O-N 3.24Å; A100-L103 PolarHBondContact O-N 2.93Å; L103-C106 PolarHBondContact O-N 3.2Å; L103-L108 HydrophobicContact CD2-CD1 3.81Å
104	I	47.6	Very low	40.5	Very low	31 Å²	31	72.1 Å²	72.1	16%	0.159	37%	0.372	C	S	.	.	H	α-helix	trans	-65.8	-48.5	175	-68.6	163.2	0	0	0	110.7	L53 L65 L67 A100 L101 E102 C106 N107	L53-I104 HydrophobicContact CD1-CD1 4.23Å; L53-I104 HydrophobicContact CD1-CG1 3.64Å; L65-I104 HydrophobicContact CD1-CD1 3.9Å; L65-I104 HydrophobicContact CD2-CD1 3.81Å; L65-I104 HydrophobicContact CG-CD1 4.23Å; L67-I104 HydrophobicContact CD2-CD1 3.71Å; A100-I104 WeakPolarHBondContact O-CB 3.33Å; A100-I104 WeakPolarHBondContact O-CD1 3.18Å; A100-I104 WeakPolarHBondContact O-CG1 3.21Å; A100-I104 PolarHBondContact O-N 3.5Å; L101-I104 PolarHBondContact O-N 2.61Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 2.87Å; I104-C106 PolarHBondContact O-N 3.16Å; I104-N107 PolarHBondContact O-N 3.47Å
105	K	39.4	Very low	40	Very low	152 Å²	152	73.5 Å²	73.5	66%	0.661	38%	0.384	S	S	*	.	H	α-helix	trans	-60	-33.8	178	-78.2	174.2	-179.2	-178.7	0	112.2	L101 E102 N107	L101-K105 WeakPolarHBondContact O-CB 3.39Å; L101-K105 WeakPolarHBondContact O-CG 3.37Å; L101-K105 PolarHBondContact O-N 2.87Å; E102-K105 PolarHBondContact O-N 2.9Å; K105-N107 PolarHBondContact O-N 3.22Å
106	C	35.5	Very low	39.4	Very low	14 Å²	14	70.7 Å²	70.7	10%	0.095	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-3.3	179.3	-66.3	0	0	0	0	113.9	E102 L103 I104 L108 C126	E102-C106 WeakPolarHBondContact O-CB 3.24Å; E102-C106 PolarHBondContact O-N 2.57Å; E102-C106 PolarHBondContact O-SG 3.34Å; L103-C106 PolarHBondContact O-N 3.2Å; I104-C106 PolarHBondContact O-N 3.16Å; C106-L108 HydrophobicContact CB-CD1 3.69Å; C106-L108 HydrophobicContact CB-CG 4.15Å; C106-L108 PolarHBondContact O-N 2.79Å; C106-L108 VanDerWaalsContact O-N 3.08Å; C106-C126 VanDerWaalsContact CA-SG 3.59Å; C106-C126 HydrophobicContact CB-CB 3.78Å; C106-C126 WeakPolarHBondContact SG-CB 3.47Å
107	N	36.8	Very low	38.8	Very low	87 Å²	87	72 Å²	72	47%	0.465	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	38.2	-177.7	-156	0.5	0	0	0	112	N55 I104 K105 E109	N55-N107 PolarHBondContact ND2-ND2 2.93Å; N55-N107 PolarHBondContact ND2-OD1 3.08Å; N55-N107 PolarHBondContact OD1-ND2 3.31Å; N55-N107 PolarHBondContact OD1-OD1 2.86Å; I104-N107 PolarHBondContact O-N 3.47Å; K105-N107 PolarHBondContact O-N 3.22Å; N107-E109 VanDerWaalsContact C-N 3.35Å; N107-E109 PolarHBondContact O-N 3.43Å
108	L	35.9	Very low	38.1	Very low	35 Å²	35	78.4 Å²	78.4	18%	0.183	44%	0.435	C	S	.	.			trans	-73.5	92	-178.3	-96.7	151.3	0	0	0	108.3	L103 C106 I110 R123 F127	L103-L108 HydrophobicContact CD2-CD1 3.81Å; C106-L108 HydrophobicContact CB-CD1 3.69Å; C106-L108 HydrophobicContact CB-CG 4.15Å; C106-L108 PolarHBondContact O-N 2.79Å; C106-L108 VanDerWaalsContact O-N 3.08Å; L108-I110 VanDerWaalsContact C-N 3.31Å; L108-I110 PolarHBondContact O-N 3.06Å; L108-R123 HydrophobicContact CD2-CG 4.14Å; L108-F127 HydrophobicContact CD1-CE2 4.37Å
109	E	34.6	Very low	37.5	Very low	153 Å²	153	81.7 Å²	81.7	72%	0.715	44%	0.439	S	S	*	.			trans	-60.6	99	157.7	-71.5	-176.8	173.6	0	0	107.4	N107 E111	N107-E109 VanDerWaalsContact C-N 3.35Å; N107-E109 PolarHBondContact O-N 3.43Å; E109-E111 PolarHBondContact O-N 3.11Å
110	I	36.2	Very low	36.9	Very low	50 Å²	50	88.5 Å²	88.5	26%	0.256	46%	0.462	S	S	.	.			trans	-73.5	111.1	162.1	-58.3	174.8	0	0	0	103.6	F52 L108	F52-I110 HydrophobicContact CD1-CB 4.41Å; F52-I110 WeakPolarHBondContact CD1-O 3.16Å; F52-I110 HydrophobicContact CE1-CB 4.34Å; F52-I110 HydrophobicContact CE1-CG2 4.22Å; F52-I110 WeakPolarHBondContact CE1-O 3.21Å; L108-I110 VanDerWaalsContact C-N 3.31Å; L108-I110 PolarHBondContact O-N 3.06Å
111	E	32.3	Very low	36.3	Very low	94 Å²	94	89.9 Å²	89.9	44%	0.439	48%	0.478	S	S	.	.			trans	-67.6	138.6	164.7	-77.6	-173.7	144.8	0	0	107.6	E109	E109-E111 PolarHBondContact O-N 3.11Å
112	P	33.1	Very low	35.8	Very low	50 Å²	50	95.4 Å²	95.4	33%	0.325	51%	0.508	S	S	.	.			trans	-52.6	139.4	168.3	-7.8	12.6	0	0	0	108.4	F52 Q114	F52-P112 HydrophobicContact CE1-CB 3.98Å; F52-P112 HydrophobicContact CE1-CG 3.7Å; F52-P112 HydrophobicContact CE2-CB 4Å; F52-P112 HydrophobicContact CE2-CG 3.78Å; F52-P112 HydrophobicContact CZ-CB 3.28Å; F52-P112 HydrophobicContact CZ-CG 3.26Å; P112-Q114 PolarHBondContact O-N 3.38Å
113	P	30.9	Very low	35.7	Very low	66 Å²	66	96.2 Å²	96.2	43%	0.429	51%	0.506	S	S	.	.			trans	-59.4	98.8	162.7	26.7	-26.8	0	0	0	105.7	I50 V115	I50-P113 HydrophobicContact CD1-CG 3.65Å; P113-V115 PolarHBondContact O-N 3.45Å
114	Q	30.5	Very low	35.4	Very low	100 Å²	100	105.6 Å²	105.6	47%	0.467	54%	0.54	S	S	.	.	B	Isolated β-bridge	trans	-59.4	115.9	165.9	-72.8	-171.4	-7.5	0	0	104.6	P112 G116 Q117	P112-Q114 PolarHBondContact O-N 3.38Å; Q114-G116 VanDerWaalsContact C-N 3.32Å; Q114-G116 PolarHBondContact O-N 3.39Å; Q114-Q117 HydrophobicContact CB-CB 4.12Å; Q114-Q117 PolarHBondContact O-N 3.02Å
115	V	31	Very low	34.9	Very low	154 Å²	154	108.2 Å²	108.2	93%	0.933	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	102.8	173.7	-177.6	0	0	0	0	106.3	P113	P113-V115 PolarHBondContact O-N 3.45Å
116	G	30	Very low	34.8	Very low	77 Å²	77	104.5 Å²	104.5	79%	0.794	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	99.1	2.2	-179.1	0	0	0	0	0	118.8	Q114	Q114-G116 VanDerWaalsContact C-N 3.32Å; Q114-G116 PolarHBondContact O-N 3.39Å
117	Q	31.9	Very low	35	Very low	116 Å²	116	108 Å²	108	54%	0.542	57%	0.567	S	S	.	*	B	Isolated β-bridge	trans	-139.6	110.3	174.8	-66	-162.7	1.8	0	0	113.9	Q114 K119	Q114-Q117 HydrophobicContact CB-CB 4.12Å; Q114-Q117 PolarHBondContact O-N 3.02Å; Q117-K119 VanDerWaalsContact C-N 3.35Å; Q117-K119 PolarHBondContact O-N 3.39Å; Q117-K119 VanDerWaalsContact O-N 3.1Å
118	T	32.1	Very low	34.8	Very low	153 Å²	153	106.6 Å²	106.6	94%	0.939	57%	0.573	S	S	*	*			trans	-78.2	79.5	165.5	34.9	0	0	0	0	110.1
119	K	33.6	Very low	34.3	Very low	126 Å²	126	111.2 Å²	111.2	55%	0.548	61%	0.608	S	S	.	*			trans	-73.2	130.4	166.2	-76	-172.8	178.9	179.7	0	109.5	Q117 G121	Q117-K119 VanDerWaalsContact C-N 3.35Å; Q117-K119 PolarHBondContact O-N 3.39Å; Q117-K119 VanDerWaalsContact O-N 3.1Å; K119-G121 VanDerWaalsContact C-N 3.3Å; K119-G121 PolarHBondContact O-N 2.74Å
120	R	34.6	Very low	34.2	Very low	221 Å²	221	112.5 Å²	112.5	83%	0.834	65%	0.645	S	S	*	*			trans	-71.2	85.8	173.1	-88.5	-179.1	173.9	-165.4	-3.1	108	N122	R120-N122 PolarHBondContact O-N 2.81Å
121	G	36.2	Very low	34.1	Very low	41 Å²	41	115.6 Å²	115.6	42%	0.423	67%	0.665	S	S	.	*			trans	-58.6	130.8	166.5	0	0	0	0	0	111	K119 R123	K119-G121 VanDerWaalsContact C-N 3.3Å; K119-G121 PolarHBondContact O-N 2.74Å; G121-R123 PolarHBondContact O-N 3.31Å
122	N	37.8	Very low	34.2	Very low	164 Å²	164	116.7 Å²	116.7	88%	0.877	68%	0.677	S	S	*	*			trans	-76.5	81.5	-178.6	-168.5	15.1	0	0	0	110	R120 R124	R120-N122 PolarHBondContact O-N 2.81Å; N122-R124 PolarHBondContact O-N 2.88Å
123	R	43.3	Very low	34.3	Very low	109 Å²	109	120.4 Å²	120.4	41%	0.411	70%	0.696	S	S	.	*			trans	-73.6	112.7	176.5	-75	-175.1	179.6	174.2	1.6	110.4	L108 G121 S125	L108-R123 HydrophobicContact CD2-CG 4.14Å; G121-R123 PolarHBondContact O-N 3.31Å; R123-S125 PolarHBondContact O-N 3.23Å
124	R	39.3	Very low	34.5	Very low	224 Å²	224	123.6 Å²	123.6	85%	0.845	71%	0.712	S	S	*	*			trans	-68.9	105.8	154.5	-93.7	-179.1	-97.4	-167.8	-4.9	107.2	N122 C126	N122-R124 PolarHBondContact O-N 2.88Å; R124-C126 PolarHBondContact O-N 3.41Å
125	S	38.3	Very low	34.7	Very low	87 Å²	87	125.1 Å²	125.1	61%	0.608	73%	0.727	S	S	*	*			trans	-66	118.9	174.7	-178.2	0	0	0	0	109.5	R123 F127	R123-S125 PolarHBondContact O-N 3.23Å; S125-F127 VanDerWaalsContact C-N 3.3Å; S125-F127 PolarHBondContact OG-N 3.07Å; S125-F127 VanDerWaalsContact OG-N 3.12Å; S125-F127 PolarHBondContact OG-O 3.28Å; S125-F127 VanDerWaalsContact OG-O 3.06Å
126	C	36.2	Very low	35	Very low	74 Å²	74	123.2 Å²	123.2	50%	0.5	71%	0.713	S	S	.	*			trans	-88.4	-3	161.6	-67.9	0	0	0	0	112	C106 R124 G128	C106-C126 VanDerWaalsContact CA-SG 3.59Å; C106-C126 HydrophobicContact CB-CB 3.78Å; C106-C126 WeakPolarHBondContact SG-CB 3.47Å; R124-C126 PolarHBondContact O-N 3.41Å; C126-G128 VanDerWaalsContact C-N 3.31Å; C126-G128 PolarHBondContact O-N 3.02Å; C126-G128 VanDerWaalsContact O-N 3.16Å
127	F	40.6	Very low	35.3	Very low	87 Å²	87	126.5 Å²	126.5	38%	0.382	71%	0.708	S	S	.	*			trans	-87	75.9	170.7	-69.3	-81.5	0	0	0	108.7	P19 L108 S125	P19-F127 HydrophobicContact CB-CD1 4.19Å; P19-F127 HydrophobicContact CB-CD2 3.83Å; P19-F127 HydrophobicContact CB-CE1 4.08Å; P19-F127 HydrophobicContact CB-CE2 3.69Å; P19-F127 HydrophobicContact CB-CG 4.08Å; P19-F127 HydrophobicContact CB-CZ 3.83Å; P19-F127 HydrophobicContact CG-CD1 4.38Å; P19-F127 HydrophobicContact CG-CE1 4.22Å; P19-F127 HydrophobicContact CG-CZ 4.37Å; L108-F127 HydrophobicContact CD1-CE2 4.37Å; S125-F127 VanDerWaalsContact C-N 3.3Å; S125-F127 PolarHBondContact OG-N 3.07Å; S125-F127 VanDerWaalsContact OG-N 3.12Å; S125-F127 PolarHBondContact OG-O 3.28Å; S125-F127 VanDerWaalsContact OG-O 3.06Å
128	G	31.7	Very low	35.6	Very low	57 Å²	57	127.3 Å²	127.3	59%	0.588	72%	0.72	S	S	*	*			trans	-157.9	116.2	176.4	0	0	0	0	0	110.3	C126	C126-G128 VanDerWaalsContact C-N 3.31Å; C126-G128 PolarHBondContact O-N 3.02Å; C126-G128 VanDerWaalsContact O-N 3.16Å
129	S	27	Very low	35.9	Very low	132 Å²	132	125.2 Å²	125.2	92%	0.923	70%	0.702	S	S	*	*			trans	84.9	77.3	168.1	-52.4	0	0	0	0	117.7
130	A	31.7	Very low	36.1	Very low	180 Å²	180	125.1 Å²	125.1	100%	1.488	72%	0.716	S	S	*	*				-173.7	0	121.8	0	0	0	0	0	109.7

Retrieved 130 of 130 residues in 136.9 ms (Link to these results)

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