A0A077ZJM5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJM5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 aa.

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(Predicted Aligned Error values between residue pairs)

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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	30.5	Very low	36.8	Very low	245 Å²	245	100.5 Å²	100.5	100%	1.207	64%	0.643	S	S	*	*				0	103.4	0	-75.4	178.1	165.9	0	0	106.9	S3	M1-S3 PolarHBondContact O-N 2.84Å
2	A	27.7	Very low	37.9	Very low	100 Å²	100	102.5 Å²	102.5	83%	0.826	64%	0.635	S	S	*	*			trans	-75.8	107.7	175	0	0	0	0	0	107.4	G4	A2-G4 PolarHBondContact O-N 3.25Å
3	S	28.2	Very low	38.6	Very low	109 Å²	109	98.2 Å²	98.2	76%	0.762	61%	0.608	S	S	*	*			trans	-69.4	92.6	174.4	49.3	0	0	0	0	109.1	M1 C5	M1-S3 PolarHBondContact O-N 2.84Å; S3-C5 PolarHBondContact O-N 3.35Å; S3-C5 VanDerWaalsContact O-N 3.08Å
4	G	28.6	Very low	39.3	Very low	58 Å²	58	92.4 Å²	92.4	60%	0.598	57%	0.571	S	S	*	*			trans	-60	105.6	169.2	0	0	0	0	0	109.9	A2	A2-G4 PolarHBondContact O-N 3.25Å
5	C	29.7	Very low	40.1	Very low	112 Å²	112	89 Å²	89	76%	0.757	56%	0.556	S	S	*	*			trans	-107.3	38.6	-160.4	-161.6	0	0	0	0	114.2	S3	S3-C5 PolarHBondContact O-N 3.35Å; S3-C5 VanDerWaalsContact O-N 3.08Å
6	L	35.2	Very low	40.7	Very low	59 Å²	59	90.9 Å²	90.9	31%	0.309	56%	0.556	S	S	.	*			trans	-139.6	26.4	-177.5	-77.4	172.9	0	0	0	115.6	L34 E37	L6-L34 HydrophobicContact CD1-CD2 3.76Å; L6-L34 HydrophobicContact CD2-CD2 4.43Å; L6-E37 HydrophobicContact CD1-CB 4.4Å; L6-E37 WeakPolarHBondContact CD1-OE2 3.46Å
7	T	40.5	Very low	40.8	Very low	138 Å²	138	89.8 Å²	89.8	85%	0.847	54%	0.544	S	S	*	.	S	Bend	trans	-89.2	1.2	-177.5	51	0	0	0	0	115.5
8	S	41.4	Very low	41.3	Very low	112 Å²	112	88.7 Å²	88.7	78%	0.783	53%	0.532	S	S	*	.	S	Bend	trans	-144	1.2	179.7	64.5	0	0	0	0	117.6
9	D	53.3	Low	41.9	Very low	68 Å²	68	94.2 Å²	94.2	36%	0.364	55%	0.548	S	S	.	.			trans	-137.5	10.3	-173.8	-123.9	2	0	0	0	115.2	D11 K12 V13	D9-D11 VanDerWaalsContact C-N 3.27Å; D9-D11 PolarHBondContact O-N 2.83Å; D9-K12 PolarHBondContact O-N 2.79Å; D9-K12 VanDerWaalsContact O-N 3.16Å; D9-K12 VanDerWaalsContact OD1-CB 3.3Å; D9-K12 WeakPolarHBondContact OD1-CB 3.48Å; D9-K12 WeakPolarHBondContact OD1-CD 3.22Å; D9-K12 WeakPolarHBondContact OD1-CE 3.38Å; D9-K12 WeakPolarHBondContact OD1-CG 3.45Å; D9-K12 IonicContact OD1-NZ 3.71Å; D9-K12 PolarHBondContact OD1-NZ 3.08Å; D9-K12 IonicContact OD2-NZ 2.89Å; D9-V13 WeakPolarHBondContact O-CB 3.23Å; D9-V13 VanDerWaalsContact O-CG2 3.28Å; D9-V13 WeakPolarHBondContact O-CG2 3.29Å; D9-V13 PolarHBondContact O-N 3.27Å
10	A	44.3	Very low	42.3	Very low	23 Å²	23	97.3 Å²	97.3	19%	0.19	55%	0.554	C	S	.	*	H	α-helix	trans	-56.2	-42.1	-179.9	0	0	0	0	0	112.1	K12 V13 L14	A10-K12 PolarHBondContact O-N 2.93Å; A10-V13 PolarHBondContact O-N 3.36Å; A10-L14 VanDerWaalsContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CB 3.34Å; A10-L14 WeakPolarHBondContact O-CD1 3.35Å; A10-L14 WeakPolarHBondContact O-CG 3.43Å; A10-L14 PolarHBondContact O-N 2.71Å
11	D	45.9	Very low	42.7	Very low	81 Å²	81	95.8 Å²	95.8	43%	0.433	54%	0.543	S	S	.	.	H	α-helix	trans	-69.2	-34.8	-179.4	-58.5	-27.8	0	0	0	112.6	D9 A15 Q135	D9-D11 VanDerWaalsContact C-N 3.27Å; D9-D11 PolarHBondContact O-N 2.83Å; D11-A15 VanDerWaalsContact O-CB 3.27Å; D11-A15 WeakPolarHBondContact O-CB 3.49Å; D11-A15 PolarHBondContact O-N 3.33Å; D11-Q135 HydrophobicContact CB-CB 4.03Å
12	K	49.7	Very low	43.6	Very low	125 Å²	125	89.7 Å²	89.7	54%	0.543	52%	0.521	S	S	.	.	H	α-helix	trans	-70.7	-42	174.1	-66.2	-152.2	-154.6	100.3	0	111.9	D9 A10 L14 A15 E16	D9-K12 PolarHBondContact O-N 2.79Å; D9-K12 VanDerWaalsContact O-N 3.16Å; D9-K12 VanDerWaalsContact OD1-CB 3.3Å; D9-K12 WeakPolarHBondContact OD1-CB 3.48Å; D9-K12 WeakPolarHBondContact OD1-CD 3.22Å; D9-K12 WeakPolarHBondContact OD1-CE 3.38Å; D9-K12 WeakPolarHBondContact OD1-CG 3.45Å; D9-K12 IonicContact OD1-NZ 3.71Å; D9-K12 PolarHBondContact OD1-NZ 3.08Å; D9-K12 IonicContact OD2-NZ 2.89Å; A10-K12 PolarHBondContact O-N 2.93Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-A15 PolarHBondContact O-N 3.3Å; K12-E16 WeakPolarHBondContact O-CB 3.34Å; K12-E16 PolarHBondContact O-N 3.4Å
13	V	47.1	Very low	44.4	Very low	46 Å²	46	87.9 Å²	87.9	28%	0.279	50%	0.503	S	S	.	.	H	α-helix	trans	-60.2	-46.2	176.2	170.8	0	0	0	0	109.8	D9 A10 A15 E16 M17	D9-V13 WeakPolarHBondContact O-CB 3.23Å; D9-V13 VanDerWaalsContact O-CG2 3.28Å; D9-V13 WeakPolarHBondContact O-CG2 3.29Å; D9-V13 PolarHBondContact O-N 3.27Å; A10-V13 PolarHBondContact O-N 3.36Å; V13-A15 PolarHBondContact O-N 3.01Å; V13-E16 PolarHBondContact O-N 3.21Å; V13-M17 HydrophobicContact CG1-CE 3.53Å; V13-M17 HydrophobicContact CG1-CG 4.48Å; V13-M17 HydrophobicContact CG1-SD 3.6Å; V13-M17 VanDerWaalsContact O-CB 3.24Å; V13-M17 WeakPolarHBondContact O-CB 3.49Å; V13-M17 WeakPolarHBondContact O-CG 3.42Å; V13-M17 PolarHBondContact O-N 3.45Å
14	L	48.1	Very low	45.1	Very low	17 Å²	17	86.3 Å²	86.3	9%	0.089	49%	0.492	C	S	.	.	H	α-helix	trans	-61.4	-43.9	175	-75.8	166.4	0	0	0	112.4	A10 K12 M17 H18 Y31 L34	A10-L14 VanDerWaalsContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CB 3.34Å; A10-L14 WeakPolarHBondContact O-CD1 3.35Å; A10-L14 WeakPolarHBondContact O-CG 3.43Å; A10-L14 PolarHBondContact O-N 2.71Å; K12-L14 VanDerWaalsContact C-N 3.33Å; L14-M17 PolarHBondContact O-N 2.94Å; L14-H18 WeakPolarHBondContact O-CB 3.05Å; L14-H18 PolarHBondContact O-CD2 3.26Å; L14-H18 PolarHBondContact O-N 3.46Å; L14-Y31 HydrophobicContact CD1-CD1 4.31Å; L14-Y31 HydrophobicContact CD1-CE1 3.44Å; L14-Y31 VanDerWaalsContact CD1-CE1 3.44Å; L14-Y31 HydrophobicContact CD1-CE2 4.47Å; L14-Y31 WeakPolarHBondContact CD1-OH 3.35Å; L14-Y31 HydrophobicContact CD2-CD1 4.19Å; L14-Y31 HydrophobicContact CD2-CD2 3.88Å; L14-Y31 HydrophobicContact CD2-CE1 3.76Å; L14-Y31 HydrophobicContact CD2-CE2 3.39Å; L14-Y31 HydrophobicContact CD2-CG 4.23Å; L14-Y31 HydrophobicContact CG-CE1 4.22Å; L14-Y31 HydrophobicContact CG-CE2 4.46Å; L14-L34 HydrophobicContact CD1-CD1 3.86Å; L14-L34 HydrophobicContact CD2-CD1 3.58Å; L14-L34 HydrophobicContact CG-CD1 3.69Å
15	A	51.4	Low	45.7	Very low	42 Å²	42	89.2 Å²	89.2	35%	0.347	49%	0.49	S	S	.	.	H	α-helix	trans	-67.3	-42.1	179	0	0	0	0	0	113.1	D11 K12 V13 M17 K19	D11-A15 VanDerWaalsContact O-CB 3.27Å; D11-A15 WeakPolarHBondContact O-CB 3.49Å; D11-A15 PolarHBondContact O-N 3.33Å; K12-A15 PolarHBondContact O-N 3.3Å; V13-A15 PolarHBondContact O-N 3.01Å; A15-M17 VanDerWaalsContact C-N 3.34Å; A15-K19 PolarHBondContact O-N 3.48Å
16	E	50.4	Low	46.3	Very low	120 Å²	120	90.3 Å²	90.3	56%	0.561	48%	0.478	S	S	*	.	H	α-helix	trans	-65.4	-38.3	174.6	-78.2	-159.3	169.9	0	0	112.1	K12 V13 K19 K20	K12-E16 WeakPolarHBondContact O-CB 3.34Å; K12-E16 PolarHBondContact O-N 3.4Å; V13-E16 PolarHBondContact O-N 3.21Å; E16-K19 VanDerWaalsContact O-CB 3.29Å; E16-K19 WeakPolarHBondContact O-CB 3.03Å; E16-K19 PolarHBondContact O-N 3.04Å; E16-K20 WeakPolarHBondContact O-CG 3.34Å; E16-K20 PolarHBondContact O-N 3.19Å; E16-K20 VanDerWaalsContact O-N 3.13Å; E16-K20 IonicContact OE2-NZ 3.75Å
17	M	42.3	Very low	46.8	Very low	72 Å²	72	88 Å²	88	36%	0.355	47%	0.466	S	S	.	.	H	α-helix	trans	-73	-39.7	-179.2	-72.7	177	176.1	0	0	112	V13 L14 A15 K19 K20 E21 L30	V13-M17 HydrophobicContact CG1-CE 3.53Å; V13-M17 HydrophobicContact CG1-CG 4.48Å; V13-M17 HydrophobicContact CG1-SD 3.6Å; V13-M17 VanDerWaalsContact O-CB 3.24Å; V13-M17 WeakPolarHBondContact O-CB 3.49Å; V13-M17 WeakPolarHBondContact O-CG 3.42Å; V13-M17 PolarHBondContact O-N 3.45Å; L14-M17 PolarHBondContact O-N 2.94Å; A15-M17 VanDerWaalsContact C-N 3.34Å; M17-K19 PolarHBondContact O-N 3.39Å; M17-K20 PolarHBondContact O-N 2.61Å; M17-E21 PolarHBondContact O-N 3.5Å; M17-L30 HydrophobicContact CB-CD1 4.35Å; M17-L30 HydrophobicContact SD-CD1 3.78Å; M17-L30 HydrophobicContact SD-CD2 4.15Å; M17-L30 HydrophobicContact SD-CG 4.48Å
18	H	48.3	Very low	47.1	Very low	70 Å²	70	81.7 Å²	81.7	32%	0.324	43%	0.427	S	S	.	.	H	α-helix	trans	-55.4	-33.7	169	-100.7	-82.4	0	0	0	112.5	L14	L14-H18 WeakPolarHBondContact O-CB 3.05Å; L14-H18 PolarHBondContact O-CD2 3.26Å; L14-H18 PolarHBondContact O-N 3.46Å
19	K	54.1	Low	47.3	Very low	193 Å²	193	80.6 Å²	80.6	84%	0.839	41%	0.412	S	S	*	.	H	α-helix	trans	-72.2	-32.9	175.4	-116.3	-178.2	179.5	-179.9	0	112.9	A15 E16 M17	A15-K19 PolarHBondContact O-N 3.48Å; E16-K19 VanDerWaalsContact O-CB 3.29Å; E16-K19 WeakPolarHBondContact O-CB 3.03Å; E16-K19 PolarHBondContact O-N 3.04Å; M17-K19 PolarHBondContact O-N 3.39Å
20	K	50.3	Low	47.1	Very low	155 Å²	155	79.6 Å²	79.6	67%	0.674	41%	0.407	S	S	*	.	H	α-helix	trans	-86.9	-34	-176	-73.9	173.1	179.4	164.9	0	112.7	E16 M17	E16-K20 WeakPolarHBondContact O-CG 3.34Å; E16-K20 PolarHBondContact O-N 3.19Å; E16-K20 VanDerWaalsContact O-N 3.13Å; E16-K20 IonicContact OE2-NZ 3.75Å; M17-K20 PolarHBondContact O-N 2.61Å
21	E	49.6	Very low	47.4	Very low	67 Å²	67	79.6 Å²	79.6	31%	0.313	40%	0.402	S	S	.	.			trans	-143.7	101.4	-173.9	-67.1	-172.7	176	0	0	111.1	M17 S23 R26	M17-E21 PolarHBondContact O-N 3.5Å; E21-S23 VanDerWaalsContact C-N 3.26Å; E21-S23 PolarHBondContact O-N 2.91Å; E21-R26 IonicContact OE1-CZ 3.17Å; E21-R26 IonicContact OE1-NE 3.74Å; E21-R26 PolarHBondContact OE1-NE 3.46Å; E21-R26 IonicContact OE1-NH2 2.65Å; E21-R26 PolarHBondContact OE1-NH2 3.43Å; E21-R26 WeakPolarHBondContact OE2-CD 3.01Å; E21-R26 VanDerWaalsContact OE2-CG 3.24Å; E21-R26 WeakPolarHBondContact OE2-CG 3.32Å; E21-R26 IonicContact OE2-CZ 3.04Å; E21-R26 IonicContact OE2-NE 3.34Å; E21-R26 PolarHBondContact OE2-NE 3.36Å; E21-R26 IonicContact OE2-NH2 3.04Å
22	P	48.6	Very low	47.7	Very low	116 Å²	116	76 Å²	76	75%	0.753	38%	0.383	S	S	*	.			trans	-81.4	3.7	-177.2	31.8	-34.9	0	0	0	114.1	S24	P22-S24 PolarHBondContact O-N 2.89Å
23	S	46	Very low	47.7	Very low	62 Å²	62	76.6 Å²	76.6	43%	0.434	38%	0.382	S	S	.	.			trans	-73.3	121.2	179.7	63.7	0	0	0	0	110.2	E21 E25 R26 I27	E21-S23 VanDerWaalsContact C-N 3.26Å; E21-S23 PolarHBondContact O-N 2.91Å; S23-E25 VanDerWaalsContact C-N 3.25Å; S23-E25 PolarHBondContact O-N 3.42Å; S23-R26 PolarHBondContact O-N 2.89Å; S23-R26 VanDerWaalsContact O-N 3.14Å; S23-R26 WeakPolarHBondContact OG-CB 3.43Å; S23-I27 PolarHBondContact O-N 2.96Å; S23-I27 VanDerWaalsContact O-N 3.17Å
24	S	42.8	Very low	47.9	Very low	76 Å²	76	75.8 Å²	75.8	53%	0.531	38%	0.376	S	S	.	.	H	α-helix	trans	-51.1	-47	-179.7	46.6	0	0	0	0	111.1	P22 R26 I27 C28	P22-S24 PolarHBondContact O-N 2.89Å; S24-R26 VanDerWaalsContact C-N 3.33Å; S24-R26 PolarHBondContact O-N 3.42Å; S24-I27 WeakPolarHBondContact O-CB 3.32Å; S24-I27 PolarHBondContact O-N 3.33Å; S24-C28 VanDerWaalsContact C-SG 3.58Å; S24-C28 PolarHBondContact O-N 2.98Å; S24-C28 PolarHBondContact O-SG 3.35Å
25	E	40.3	Very low	48.2	Very low	120 Å²	120	75.4 Å²	75.4	56%	0.561	37%	0.374	S	S	*	.	H	α-helix	trans	-54.7	-41.4	-179.9	-171	-179.7	-178.9	0	0	113.9	S23 C28 L29	S23-E25 VanDerWaalsContact C-N 3.25Å; S23-E25 PolarHBondContact O-N 3.42Å; E25-C28 VanDerWaalsContact O-CB 3.3Å; E25-C28 WeakPolarHBondContact O-CB 3.17Å; E25-C28 PolarHBondContact O-N 2.84Å; E25-L29 WeakPolarHBondContact O-CG 3.41Å; E25-L29 PolarHBondContact O-N 3.36Å; E25-L29 VanDerWaalsContact O-N 3.11Å
26	R	42.5	Very low	48.2	Very low	134 Å²	134	74 Å²	74	51%	0.506	36%	0.361	S	S	.	.	H	α-helix	trans	-81.1	-34.2	-177.2	-162	137.5	152.7	168.2	-19.6	112.2	E21 S23 S24 C28 L29 L30	E21-R26 IonicContact OE1-CZ 3.17Å; E21-R26 IonicContact OE1-NE 3.74Å; E21-R26 PolarHBondContact OE1-NE 3.46Å; E21-R26 IonicContact OE1-NH2 2.65Å; E21-R26 PolarHBondContact OE1-NH2 3.43Å; E21-R26 WeakPolarHBondContact OE2-CD 3.01Å; E21-R26 VanDerWaalsContact OE2-CG 3.24Å; E21-R26 WeakPolarHBondContact OE2-CG 3.32Å; E21-R26 IonicContact OE2-CZ 3.04Å; E21-R26 IonicContact OE2-NE 3.34Å; E21-R26 PolarHBondContact OE2-NE 3.36Å; E21-R26 IonicContact OE2-NH2 3.04Å; S23-R26 PolarHBondContact O-N 2.89Å; S23-R26 VanDerWaalsContact O-N 3.14Å; S23-R26 WeakPolarHBondContact OG-CB 3.43Å; S24-R26 VanDerWaalsContact C-N 3.33Å; S24-R26 PolarHBondContact O-N 3.42Å; R26-C28 VanDerWaalsContact C-N 3.29Å; R26-L29 PolarHBondContact O-N 2.98Å; R26-L29 VanDerWaalsContact O-N 3.16Å; R26-L30 WeakPolarHBondContact O-CD1 3.36Å; R26-L30 VanDerWaalsContact O-CG 3.27Å; R26-L30 WeakPolarHBondContact O-CG 3.26Å; R26-L30 PolarHBondContact O-N 3.09Å
27	I	46.2	Very low	48.2	Very low	12 Å²	12	71.9 Å²	71.9	6%	0.062	35%	0.351	C	S	.	.	H	α-helix	trans	-59.1	-45.3	167.5	-68.6	158.9	0	0	0	109.7	S23 S24 L29 L30 Y31	S23-I27 PolarHBondContact O-N 2.96Å; S23-I27 VanDerWaalsContact O-N 3.17Å; S24-I27 WeakPolarHBondContact O-CB 3.32Å; S24-I27 PolarHBondContact O-N 3.33Å; I27-L29 VanDerWaalsContact C-N 3.27Å; I27-L29 PolarHBondContact O-N 3.39Å; I27-L30 PolarHBondContact O-N 3.05Å; I27-Y31 HydrophobicContact CG2-CD2 3.84Å; I27-Y31 HydrophobicContact CG2-CE2 3.76Å; I27-Y31 VanDerWaalsContact O-CD2 3.3Å; I27-Y31 WeakPolarHBondContact O-CD2 3.25Å; I27-Y31 PolarHBondContact O-N 2.98Å; I27-Y31 VanDerWaalsContact O-N 3.12Å
28	C	46.6	Very low	48.6	Very low	5 Å²	5	75.4 Å²	75.4	3%	0.034	36%	0.36	C	S	.	.	H	α-helix	trans	-53.1	-49.9	174.8	-56.3	0	0	0	0	109.4	S24 E25 R26 L30 Y31 V32 C144 L148	S24-C28 VanDerWaalsContact C-SG 3.58Å; S24-C28 PolarHBondContact O-N 2.98Å; S24-C28 PolarHBondContact O-SG 3.35Å; E25-C28 VanDerWaalsContact O-CB 3.3Å; E25-C28 WeakPolarHBondContact O-CB 3.17Å; E25-C28 PolarHBondContact O-N 2.84Å; R26-C28 VanDerWaalsContact C-N 3.29Å; C28-L30 PolarHBondContact O-N 2.78Å; C28-Y31 PolarHBondContact O-N 3.36Å; C28-V32 PolarHBondContact O-N 2.95Å; C28-C144 HydrophobicContact CB-CB 3.97Å; C28-C144 WeakPolarHBondContact CB-O 3.24Å; C28-C144 WeakPolarHBondContact SG-CA 3.4Å; C28-C144 WeakPolarHBondContact SG-CB 3.27Å; C28-C144 PolarHBondContact SG-O 2.92Å; C28-L148 HydrophobicContact CB-CB 3.81Å; C28-L148 HydrophobicContact CB-CD1 3.09Å; C28-L148 HydrophobicContact CB-CG 3.32Å; C28-L148 VanDerWaalsContact O-CD1 3.24Å; C28-L148 WeakPolarHBondContact O-CD1 3.46Å
29	L	46.4	Very low	48.7	Very low	89 Å²	89	72.9 Å²	72.9	47%	0.466	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-37	-168.6	-82	169.2	0	0	0	110.3	E25 R26 I27 R33 L148	E25-L29 WeakPolarHBondContact O-CG 3.41Å; E25-L29 PolarHBondContact O-N 3.36Å; E25-L29 VanDerWaalsContact O-N 3.11Å; R26-L29 PolarHBondContact O-N 2.98Å; R26-L29 VanDerWaalsContact O-N 3.16Å; I27-L29 VanDerWaalsContact C-N 3.27Å; I27-L29 PolarHBondContact O-N 3.39Å; L29-R33 WeakPolarHBondContact O-CB 3.43Å; L29-R33 PolarHBondContact O-N 3.3Å; L29-L148 HydrophobicContact CB-CD1 3.91Å; L29-L148 HydrophobicContact CD2-CD1 3.65Å; L29-L148 HydrophobicContact CD2-CD2 3.65Å; L29-L148 HydrophobicContact CD2-CG 4.37Å; L29-L148 HydrophobicContact CG-CD1 3.62Å; L29-L148 HydrophobicContact CG-CD2 4.07Å; L29-L148 HydrophobicContact CG-CG 4.45Å
30	L	48	Very low	48.5	Very low	47 Å²	47	64.2 Å²	64.2	25%	0.246	31%	0.311	C	S	.	.	H	α-helix	trans	-68.5	-39.1	176.7	-66.3	165.1	0	0	0	111.9	M17 R26 I27 C28 R33 L34	M17-L30 HydrophobicContact CB-CD1 4.35Å; M17-L30 HydrophobicContact SD-CD1 3.78Å; M17-L30 HydrophobicContact SD-CD2 4.15Å; M17-L30 HydrophobicContact SD-CG 4.48Å; R26-L30 WeakPolarHBondContact O-CD1 3.36Å; R26-L30 VanDerWaalsContact O-CG 3.27Å; R26-L30 WeakPolarHBondContact O-CG 3.26Å; R26-L30 PolarHBondContact O-N 3.09Å; I27-L30 PolarHBondContact O-N 3.05Å; C28-L30 PolarHBondContact O-N 2.78Å; L30-R33 WeakPolarHBondContact O-CB 3.36Å; L30-R33 PolarHBondContact O-N 2.98Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.31Å; L30-L34 PolarHBondContact O-N 3.3Å
31	Y	51.3	Low	48.6	Very low	22 Å²	22	63.1 Å²	63.1	9%	0.086	31%	0.312	C	S	.	.	H	α-helix	trans	-67.9	-41.1	175.7	-89	-79.6	0	0	0	113.3	L14 I27 C28 R33 L34 L35 A141 C145	L14-Y31 HydrophobicContact CD1-CD1 4.31Å; L14-Y31 HydrophobicContact CD1-CE1 3.44Å; L14-Y31 VanDerWaalsContact CD1-CE1 3.44Å; L14-Y31 HydrophobicContact CD1-CE2 4.47Å; L14-Y31 WeakPolarHBondContact CD1-OH 3.35Å; L14-Y31 HydrophobicContact CD2-CD1 4.19Å; L14-Y31 HydrophobicContact CD2-CD2 3.88Å; L14-Y31 HydrophobicContact CD2-CE1 3.76Å; L14-Y31 HydrophobicContact CD2-CE2 3.39Å; L14-Y31 HydrophobicContact CD2-CG 4.23Å; L14-Y31 HydrophobicContact CG-CE1 4.22Å; L14-Y31 HydrophobicContact CG-CE2 4.46Å; I27-Y31 HydrophobicContact CG2-CD2 3.84Å; I27-Y31 HydrophobicContact CG2-CE2 3.76Å; I27-Y31 VanDerWaalsContact O-CD2 3.3Å; I27-Y31 WeakPolarHBondContact O-CD2 3.25Å; I27-Y31 PolarHBondContact O-N 2.98Å; I27-Y31 VanDerWaalsContact O-N 3.12Å; C28-Y31 PolarHBondContact O-N 3.36Å; Y31-R33 PolarHBondContact O-N 3.49Å; Y31-L34 PolarHBondContact O-N 3.31Å; Y31-L35 WeakPolarHBondContact O-CG 3.48Å; Y31-L35 PolarHBondContact O-N 3.45Å; Y31-A141 HydrophobicContact CD1-CB 4.44Å; Y31-A141 HydrophobicContact CD2-CB 4.03Å; Y31-A141 HydrophobicContact CE1-CB 3.75Å; Y31-A141 HydrophobicContact CE2-CB 3.28Å; Y31-A141 WeakPolarHBondContact OH-CB 3.32Å; Y31-C145 WeakPolarHBondContact CB-SG 3.27Å
32	V	52.4	Low	48.4	Very low	7 Å²	7	63.3 Å²	63.3	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-40.5	173.9	174.3	0	0	0	0	110	C28 L35 V36 F45 L148 L149 L152	C28-V32 PolarHBondContact O-N 2.95Å; V32-L35 PolarHBondContact O-N 3.49Å; V32-V36 WeakPolarHBondContact O-CG2 3.3Å; V32-V36 PolarHBondContact O-N 3.34Å; V32-F45 HydrophobicContact CG1-CE1 4.48Å; V32-F45 HydrophobicContact CG1-CZ 4.19Å; V32-L148 HydrophobicContact CB-CD1 4.47Å; V32-L148 HydrophobicContact CG2-CB 3.84Å; V32-L148 HydrophobicContact CG2-CD1 3.87Å; V32-L149 HydrophobicContact CG1-CD2 4.15Å; V32-L149 HydrophobicContact CG2-CD2 4.26Å; V32-L149 HydrophobicContact CG2-CG 4.1Å; V32-L152 HydrophobicContact CG1-CD1 4.29Å
33	R	49.9	Very low	48.1	Very low	137 Å²	137	60 Å²	60	52%	0.517	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-45.2	175	-174.8	171.9	-179.6	167.7	3.8	112.8	L29 L30 Y31 L35 V36 E37 F45	L29-R33 WeakPolarHBondContact O-CB 3.43Å; L29-R33 PolarHBondContact O-N 3.3Å; L30-R33 WeakPolarHBondContact O-CB 3.36Å; L30-R33 PolarHBondContact O-N 2.98Å; Y31-R33 PolarHBondContact O-N 3.49Å; R33-L35 VanDerWaalsContact C-N 3.31Å; R33-L35 PolarHBondContact O-N 2.87Å; R33-V36 PolarHBondContact O-N 3.31Å; R33-E37 HydrophobicContact CG-CG 4.38Å; R33-E37 WeakPolarHBondContact CG-OE1 3.3Å; R33-E37 IonicContact CZ-OE1 3.48Å; R33-E37 IonicContact NE-OE1 3.9Å; R33-E37 PolarHBondContact NE-OE1 3.39Å; R33-E37 IonicContact NH2-OE1 2.71Å; R33-E37 WeakPolarHBondContact O-CB 3.42Å; R33-E37 WeakPolarHBondContact O-CG 3.47Å; R33-E37 PolarHBondContact O-N 3.01Å; R33-F45 HydrophobicContact CB-CE2 4.04Å; R33-F45 HydrophobicContact CB-CZ 4.41Å; R33-F45 HydrophobicContact CG-CD2 4.36Å; R33-F45 HydrophobicContact CG-CE2 3.9Å
34	L	51.8	Low	47.9	Very low	29 Å²	29	59.7 Å²	59.7	15%	0.152	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-37	175.6	-73.2	169.3	0	0	0	112.3	L6 L14 L30 Y31 R38	L6-L34 HydrophobicContact CD1-CD2 3.76Å; L6-L34 HydrophobicContact CD2-CD2 4.43Å; L14-L34 HydrophobicContact CD1-CD1 3.86Å; L14-L34 HydrophobicContact CD2-CD1 3.58Å; L14-L34 HydrophobicContact CG-CD1 3.69Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.31Å; L30-L34 PolarHBondContact O-N 3.3Å; Y31-L34 PolarHBondContact O-N 3.31Å; L34-R38 WeakPolarHBondContact O-CB 3.47Å; L34-R38 PolarHBondContact O-N 2.93Å
35	L	53.7	Low	47.7	Very low	9 Å²	9	60.5 Å²	60.5	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-46.5	176.1	-81.9	168.7	0	0	0	112.2	Y31 V32 R33 R38 Y39 W77 L80	Y31-L35 WeakPolarHBondContact O-CG 3.48Å; Y31-L35 PolarHBondContact O-N 3.45Å; V32-L35 PolarHBondContact O-N 3.49Å; R33-L35 VanDerWaalsContact C-N 3.31Å; R33-L35 PolarHBondContact O-N 2.87Å; L35-R38 PolarHBondContact O-N 3.38Å; L35-Y39 HydrophobicContact CD2-CD2 4.06Å; L35-Y39 HydrophobicContact CD2-CE2 3.84Å; L35-Y39 WeakPolarHBondContact O-CD2 3.35Å; L35-Y39 PolarHBondContact O-N 2.85Å; L35-W77 HydrophobicContact CD1-CE3 4.43Å; L35-W77 HydrophobicContact CD1-CH2 4.37Å; L35-W77 HydrophobicContact CD1-CZ3 3.69Å; L35-W77 HydrophobicContact CD2-CD2 4.09Å; L35-W77 HydrophobicContact CD2-CE3 3.41Å; L35-W77 VanDerWaalsContact CD2-CE3 3.41Å; L35-W77 HydrophobicContact CD2-CH2 3.47Å; L35-W77 VanDerWaalsContact CD2-CH2 3.47Å; L35-W77 HydrophobicContact CD2-CZ2 4.12Å; L35-W77 HydrophobicContact CD2-CZ3 3.09Å; L35-W77 HydrophobicContact CG-CE3 4.44Å; L35-W77 HydrophobicContact CG-CH2 4.05Å; L35-W77 HydrophobicContact CG-CZ3 3.74Å; L35-L80 HydrophobicContact CD1-CD2 4.2Å
36	V	50.3	Low	47.3	Very low	13 Å²	13	60.8 Å²	60.8	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-47.1	176.4	170.2	0	0	0	0	110.1	V32 R33 R38 L40 Y43 F45	V32-V36 WeakPolarHBondContact O-CG2 3.3Å; V32-V36 PolarHBondContact O-N 3.34Å; R33-V36 PolarHBondContact O-N 3.31Å; V36-R38 VanDerWaalsContact C-N 3.33Å; V36-R38 PolarHBondContact O-N 2.87Å; V36-L40 HydrophobicContact CG1-CB 4.41Å; V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 CarbonylContact O-C 3.6Å; V36-L40 VanDerWaalsContact O-CA 3.25Å; V36-L40 WeakPolarHBondContact O-CA 3.47Å; V36-L40 VanDerWaalsContact O-CB 3.24Å; V36-L40 WeakPolarHBondContact O-CB 3.29Å; V36-L40 PolarHBondContact O-N 3.48Å; V36-Y43 HydrophobicContact CG1-CD1 4.01Å; V36-Y43 HydrophobicContact CG1-CG 4.43Å; V36-F45 HydrophobicContact CB-CE2 3.68Å; V36-F45 HydrophobicContact CB-CZ 3.77Å; V36-F45 HydrophobicContact CG1-CD2 4.37Å; V36-F45 HydrophobicContact CG1-CE2 3.7Å; V36-F45 HydrophobicContact CG1-CZ 4.07Å; V36-F45 HydrophobicContact CG2-CE1 4.43Å; V36-F45 HydrophobicContact CG2-CE2 4.05Å; V36-F45 HydrophobicContact CG2-CZ 3.59Å
37	E	50.3	Low	47	Very low	74 Å²	74	60.1 Å²	60.1	35%	0.346	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-33.2	178.7	-71.3	175.6	-174	0	0	112.5	L6 R33	L6-E37 HydrophobicContact CD1-CB 4.4Å; L6-E37 WeakPolarHBondContact CD1-OE2 3.46Å; R33-E37 HydrophobicContact CG-CG 4.38Å; R33-E37 WeakPolarHBondContact CG-OE1 3.3Å; R33-E37 IonicContact CZ-OE1 3.48Å; R33-E37 IonicContact NE-OE1 3.9Å; R33-E37 PolarHBondContact NE-OE1 3.39Å; R33-E37 IonicContact NH2-OE1 2.71Å; R33-E37 WeakPolarHBondContact O-CB 3.42Å; R33-E37 WeakPolarHBondContact O-CG 3.47Å; R33-E37 PolarHBondContact O-N 3.01Å
38	R	51.8	Low	46.6	Very low	147 Å²	147	61.8 Å²	61.8	56%	0.555	33%	0.325	S	S	*	.	H	α-helix	trans	-73.7	-44.2	179.2	-178.1	177.1	-177.1	106.1	0.5	113	L34 L35 V36	L34-R38 WeakPolarHBondContact O-CB 3.47Å; L34-R38 PolarHBondContact O-N 2.93Å; L35-R38 PolarHBondContact O-N 3.38Å; V36-R38 VanDerWaalsContact C-N 3.33Å; V36-R38 PolarHBondContact O-N 2.87Å
39	Y	50.5	Low	46	Very low	17 Å²	17	71 Å²	71	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-99.4	-28.1	-173.3	-70.9	-78.4	0	0	0	112.3	L35 L60 K63 I64 D67 W77	L35-Y39 HydrophobicContact CD2-CD2 4.06Å; L35-Y39 HydrophobicContact CD2-CE2 3.84Å; L35-Y39 WeakPolarHBondContact O-CD2 3.35Å; L35-Y39 PolarHBondContact O-N 2.85Å; Y39-L60 HydrophobicContact CD2-CD1 4.14Å; Y39-L60 HydrophobicContact CG-CD1 4.03Å; Y39-K63 HydrophobicContact CD1-CB 4.1Å; Y39-K63 WeakPolarHBondContact O-CD 3.49Å; Y39-K63 WeakPolarHBondContact O-CE 3.26Å; Y39-K63 PolarHBondContact O-NZ 3.48Å; Y39-I64 HydrophobicContact CD1-CG1 4.28Å; Y39-I64 HydrophobicContact CD2-CG1 4.42Å; Y39-I64 HydrophobicContact CE1-CG1 4.08Å; Y39-I64 HydrophobicContact CE2-CG1 4.22Å; Y39-I64 HydrophobicContact CG-CG1 4.45Å; Y39-D67 HydrophobicContact CE1-CB 4.14Å; Y39-D67 PolarHBondContact OH-OD2 3.45Å; Y39-W77 VanDerWaalsContact OH-CD1 3.23Å
40	L	49.2	Very low	45.6	Very low	10 Å²	10	72 Å²	72	5%	0.052	38%	0.381	C	S	.	.	S	Bend	trans	-110.4	73.6	-179.2	-56.8	170.7	0	0	0	109.6	V36 G42 Y43 L56 K59 K63	V36-L40 HydrophobicContact CG1-CB 4.41Å; V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 CarbonylContact O-C 3.6Å; V36-L40 VanDerWaalsContact O-CA 3.25Å; V36-L40 WeakPolarHBondContact O-CA 3.47Å; V36-L40 VanDerWaalsContact O-CB 3.24Å; V36-L40 WeakPolarHBondContact O-CB 3.29Å; V36-L40 PolarHBondContact O-N 3.48Å; L40-G42 PolarHBondContact O-N 2.87Å; L40-Y43 HydrophobicContact CB-CD2 4.5Å; L40-Y43 HydrophobicContact CB-CG 4.19Å; L40-Y43 HydrophobicContact CD1-CG 4.38Å; L40-Y43 VanDerWaalsContact O-CB 3.27Å; L40-Y43 WeakPolarHBondContact O-CB 3.45Å; L40-Y43 PolarHBondContact O-N 3.32Å; L40-L56 HydrophobicContact CD1-CD1 3.41Å; L40-L56 VanDerWaalsContact CD1-CD1 3.41Å; L40-L56 HydrophobicContact CD1-CG 4.26Å; L40-K59 HydrophobicContact CD2-CB 4.26Å; L40-K63 HydrophobicContact CD2-CD 4.42Å
41	D	52.5	Low	45.4	Very low	133 Å²	133	72 Å²	72	71%	0.711	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	124.2	173.3	-160.5	10.8	0	0	0	110.6
42	G	45.5	Very low	45.4	Very low	71 Å²	71	75.9 Å²	75.9	73%	0.732	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	2.4	-176.5	0	0	0	0	0	116.8	L40 S44	L40-G42 PolarHBondContact O-N 2.87Å; G42-S44 PolarHBondContact O-N 2.64Å
43	Y	43.3	Very low	45	Very low	47 Å²	47	78 Å²	78	18%	0.184	42%	0.416	C	S	.	.			trans	-87.2	106.8	-179.7	-147.4	-88.7	0	0	0	111.5	V36 L40 V51 L56	V36-Y43 HydrophobicContact CG1-CD1 4.01Å; V36-Y43 HydrophobicContact CG1-CG 4.43Å; L40-Y43 HydrophobicContact CB-CD2 4.5Å; L40-Y43 HydrophobicContact CB-CG 4.19Å; L40-Y43 HydrophobicContact CD1-CG 4.38Å; L40-Y43 VanDerWaalsContact O-CB 3.27Å; L40-Y43 WeakPolarHBondContact O-CB 3.45Å; L40-Y43 PolarHBondContact O-N 3.32Å; Y43-V51 WeakPolarHBondContact OH-CB 3.45Å; Y43-V51 WeakPolarHBondContact OH-CG1 3.27Å; Y43-V51 WeakPolarHBondContact OH-CG2 3.42Å; Y43-L56 HydrophobicContact CD1-CD1 4.41Å; Y43-L56 HydrophobicContact CD2-CD1 4.25Å; Y43-L56 HydrophobicContact CE1-CD1 3.82Å; Y43-L56 HydrophobicContact CE1-CD2 4.19Å; Y43-L56 HydrophobicContact CE2-CD1 3.63Å; Y43-L56 WeakPolarHBondContact OH-CD1 3.25Å
44	S	40	Very low	44.9	Very low	55 Å²	55	72.6 Å²	72.6	39%	0.385	40%	0.401	S	S	.	.			trans	-85.5	131.3	170.3	178	0	0	0	0	109.4	G42 V46 E47	G42-S44 PolarHBondContact O-N 2.64Å; S44-V46 PolarHBondContact O-N 3.1Å; S44-V46 WeakPolarHBondContact OG-CB 3.29Å; S44-V46 VanDerWaalsContact OG-CG2 3.3Å; S44-V46 WeakPolarHBondContact OG-CG2 3.1Å; S44-V46 PolarHBondContact OG-N 2.89Å; S44-E47 PolarHBondContact O-N 3.11Å
45	F	38.5	Very low	45.1	Very low	93 Å²	93	73.3 Å²	73.3	41%	0.408	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-56.3	-13	171.4	-84.2	-92.7	0	0	0	113.4	V32 R33 V36 E47	V32-F45 HydrophobicContact CG1-CE1 4.48Å; V32-F45 HydrophobicContact CG1-CZ 4.19Å; R33-F45 HydrophobicContact CB-CE2 4.04Å; R33-F45 HydrophobicContact CB-CZ 4.41Å; R33-F45 HydrophobicContact CG-CD2 4.36Å; R33-F45 HydrophobicContact CG-CE2 3.9Å; V36-F45 HydrophobicContact CB-CE2 3.68Å; V36-F45 HydrophobicContact CB-CZ 3.77Å; V36-F45 HydrophobicContact CG1-CD2 4.37Å; V36-F45 HydrophobicContact CG1-CE2 3.7Å; V36-F45 HydrophobicContact CG1-CZ 4.07Å; V36-F45 HydrophobicContact CG2-CE1 4.43Å; V36-F45 HydrophobicContact CG2-CE2 4.05Å; V36-F45 HydrophobicContact CG2-CZ 3.59Å; F45-E47 VanDerWaalsContact C-N 3.28Å; F45-E47 PolarHBondContact O-N 3.08Å
46	V	33.8	Very low	45	Very low	125 Å²	125	74.3 Å²	74.3	76%	0.758	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-72.1	-18.1	175.9	-173.9	0	0	0	0	112.4	S44	S44-V46 PolarHBondContact O-N 3.1Å; S44-V46 WeakPolarHBondContact OG-CB 3.29Å; S44-V46 VanDerWaalsContact OG-CG2 3.3Å; S44-V46 WeakPolarHBondContact OG-CG2 3.1Å; S44-V46 PolarHBondContact OG-N 2.89Å
47	E	35.1	Very low	45.1	Very low	120 Å²	120	75.2 Å²	75.2	56%	0.561	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-97.5	-0.6	-179	-63.5	-173.7	166.5	0	0	114	S44 F45 E49 S50	S44-E47 PolarHBondContact O-N 3.11Å; F45-E47 VanDerWaalsContact C-N 3.28Å; F45-E47 PolarHBondContact O-N 3.08Å; E47-E49 PolarHBondContact O-N 3.23Å; E47-S50 PolarHBondContact O-OG 3.02Å
48	A	38.3	Very low	45.4	Very low	47 Å²	47	74.9 Å²	74.9	39%	0.388	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.1	-172.4	0	0	0	0	0	115.1	S50	A48-S50 PolarHBondContact O-N 3.24Å
49	E	33.9	Very low	45.7	Very low	200 Å²	200	72.8 Å²	72.8	94%	0.935	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.8	177.8	-71.6	-173.3	165.6	0	0	113.9	E47	E47-E49 PolarHBondContact O-N 3.23Å
50	S	37.5	Very low	46	Very low	108 Å²	108	72.6 Å²	72.6	76%	0.755	41%	0.414	S	S	*	.	S	Bend	trans	-122.2	-2.2	-176.6	67.4	0	0	0	0	114.9	E47 A48	E47-S50 PolarHBondContact O-OG 3.02Å; A48-S50 PolarHBondContact O-N 3.24Å
51	V	44.2	Very low	46.3	Very low	49 Å²	49	72.7 Å²	72.7	30%	0.297	41%	0.414	S	S	.	.	S	Bend	trans	-98.5	119.5	-172.7	-177	0	0	0	0	110.4	Y43 L53 L56	Y43-V51 WeakPolarHBondContact OH-CB 3.45Å; Y43-V51 WeakPolarHBondContact OH-CG1 3.27Å; Y43-V51 WeakPolarHBondContact OH-CG2 3.42Å; V51-L53 PolarHBondContact O-N 3.05Å; V51-L56 HydrophobicContact CG1-CB 4.15Å
52	D	50	Low	46.6	Very low	103 Å²	103	72.6 Å²	72.6	55%	0.551	41%	0.409	S	S	*	.			trans	-49.8	114.2	168.7	170.4	35.9	0	0	0	109.9	A54 S55 L56	D52-A54 PolarHBondContact O-N 3.36Å; D52-A54 PolarHBondContact OD1-N 3.42Å; D52-S55 WeakPolarHBondContact O-CA 3.31Å; D52-S55 VanDerWaalsContact O-CB 3.31Å; D52-S55 WeakPolarHBondContact O-CB 3.38Å; D52-S55 PolarHBondContact O-N 2.69Å; D52-S55 WeakPolarHBondContact OD2-CB 3Å; D52-S55 PolarHBondContact OD2-N 3.42Å; D52-S55 VanDerWaalsContact OD2-N 3.08Å; D52-L56 PolarHBondContact O-N 2.98Å
53	L	45.6	Very low	47.2	Very low	51 Å²	51	73.5 Å²	73.5	27%	0.267	39%	0.393	S	S	.	.	H	α-helix	trans	-56.9	-36.1	-177.7	-179.8	61.9	0	0	0	111.3	V51 L56 L57 M156	V51-L53 PolarHBondContact O-N 3.05Å; L53-L56 PolarHBondContact O-N 2.98Å; L53-L57 HydrophobicContact CD1-CD1 4.14Å; L53-L57 HydrophobicContact CD1-CG 4.09Å; L53-L57 HydrophobicContact CD2-CD1 4.49Å; L53-L57 HydrophobicContact CG-CD1 3.89Å; L53-L57 HydrophobicContact CG-CG 4.28Å; L53-L57 WeakPolarHBondContact O-CB 3.09Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.18Å; L53-L57 PolarHBondContact O-N 3.38Å; L53-M156 HydrophobicContact CD1-CE 3.7Å; L53-M156 HydrophobicContact CD2-CE 3.39Å; L53-M156 HydrophobicContact CD2-SD 4.19Å; L53-M156 HydrophobicContact CG-CE 4.04Å
54	A	46.8	Very low	47.7	Very low	23 Å²	23	71.4 Å²	71.4	19%	0.19	39%	0.385	C	S	.	.	H	α-helix	trans	-63.8	-44.8	176.8	0	0	0	0	0	110.8	D52 L56 L57 N58	D52-A54 PolarHBondContact O-N 3.36Å; D52-A54 PolarHBondContact OD1-N 3.42Å; A54-L56 PolarHBondContact O-N 3.38Å; A54-L57 PolarHBondContact O-N 3.25Å; A54-N58 VanDerWaalsContact O-CB 3.26Å; A54-N58 WeakPolarHBondContact O-CB 3.4Å; A54-N58 VanDerWaalsContact O-CG 3.3Å; A54-N58 PolarHBondContact O-N 3.28Å; A54-N58 PolarHBondContact O-ND2 3.48Å
55	S	55.7	Low	48.3	Very low	44 Å²	44	72.1 Å²	72.1	31%	0.308	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-43	173.4	-168.4	0	0	0	0	112.8	D52 K59	D52-S55 WeakPolarHBondContact O-CA 3.31Å; D52-S55 VanDerWaalsContact O-CB 3.31Å; D52-S55 WeakPolarHBondContact O-CB 3.38Å; D52-S55 PolarHBondContact O-N 2.69Å; D52-S55 WeakPolarHBondContact OD2-CB 3Å; D52-S55 PolarHBondContact OD2-N 3.42Å; D52-S55 VanDerWaalsContact OD2-N 3.08Å; S55-K59 VanDerWaalsContact O-CG 3.3Å; S55-K59 WeakPolarHBondContact O-CG 3.36Å; S55-K59 PolarHBondContact O-N 3.08Å
56	L	52.8	Low	49.1	Very low	30 Å²	30	72.6 Å²	72.6	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-64.6	-47.3	178.9	-173.9	63.9	0	0	0	111.9	L40 Y43 V51 D52 L53 A54 K59 L60	L40-L56 HydrophobicContact CD1-CD1 3.41Å; L40-L56 VanDerWaalsContact CD1-CD1 3.41Å; L40-L56 HydrophobicContact CD1-CG 4.26Å; Y43-L56 HydrophobicContact CD1-CD1 4.41Å; Y43-L56 HydrophobicContact CD2-CD1 4.25Å; Y43-L56 HydrophobicContact CE1-CD1 3.82Å; Y43-L56 HydrophobicContact CE1-CD2 4.19Å; Y43-L56 HydrophobicContact CE2-CD1 3.63Å; Y43-L56 WeakPolarHBondContact OH-CD1 3.25Å; V51-L56 HydrophobicContact CG1-CB 4.15Å; D52-L56 PolarHBondContact O-N 2.98Å; L53-L56 PolarHBondContact O-N 2.98Å; A54-L56 PolarHBondContact O-N 3.38Å; L56-K59 PolarHBondContact O-N 2.94Å; L56-L60 WeakPolarHBondContact O-CB 3.34Å; L56-L60 PolarHBondContact O-N 3.1Å
57	L	52.3	Low	50	Low	32 Å²	32	68.4 Å²	68.4	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-46.8	177.2	-70.9	173.9	0	0	0	110.4	L53 A54 K59 L60 L61 L84	L53-L57 HydrophobicContact CD1-CD1 4.14Å; L53-L57 HydrophobicContact CD1-CG 4.09Å; L53-L57 HydrophobicContact CD2-CD1 4.49Å; L53-L57 HydrophobicContact CG-CD1 3.89Å; L53-L57 HydrophobicContact CG-CG 4.28Å; L53-L57 WeakPolarHBondContact O-CB 3.09Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.18Å; L53-L57 PolarHBondContact O-N 3.38Å; A54-L57 PolarHBondContact O-N 3.25Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 3.36Å; L57-L60 WeakPolarHBondContact O-CB 3.22Å; L57-L60 PolarHBondContact O-N 2.97Å; L57-L60 VanDerWaalsContact O-N 3.07Å; L57-L61 WeakPolarHBondContact O-CB 3.41Å; L57-L61 WeakPolarHBondContact O-CG 3.48Å; L57-L61 PolarHBondContact O-N 2.91Å; L57-L84 HydrophobicContact CD2-CD1 4.48Å
58	N	56.1	Low	50.6	Low	68 Å²	68	64.2 Å²	64.2	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-58	-41.2	177.4	-80.1	-51.3	0	0	0	112.5	A54 L61 E62	A54-N58 VanDerWaalsContact O-CB 3.26Å; A54-N58 WeakPolarHBondContact O-CB 3.4Å; A54-N58 VanDerWaalsContact O-CG 3.3Å; A54-N58 PolarHBondContact O-N 3.28Å; A54-N58 PolarHBondContact O-ND2 3.48Å; N58-L61 PolarHBondContact O-N 3.06Å; N58-E62 WeakPolarHBondContact O-CB 3.41Å; N58-E62 PolarHBondContact O-N 2.89Å
59	K	58.9	Low	51.2	Low	103 Å²	103	68.1 Å²	68.1	45%	0.448	37%	0.37	S	S	.	.	H	α-helix	trans	-64.3	-41.9	174.1	-74.3	172.6	-176.1	175.5	0	112.5	L40 S55 L56 L57 L61 E62 K63	L40-K59 HydrophobicContact CD2-CB 4.26Å; S55-K59 VanDerWaalsContact O-CG 3.3Å; S55-K59 WeakPolarHBondContact O-CG 3.36Å; S55-K59 PolarHBondContact O-N 3.08Å; L56-K59 PolarHBondContact O-N 2.94Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 3.36Å; K59-L61 VanDerWaalsContact C-N 3.34Å; K59-E62 PolarHBondContact O-N 2.77Å; K59-K63 WeakPolarHBondContact O-CG 3.45Å; K59-K63 PolarHBondContact O-N 3.19Å; K59-K63 VanDerWaalsContact O-N 3.12Å
60	L	55.2	Low	52	Low	13 Å²	13	63.7 Å²	63.7	7%	0.068	36%	0.356	C	S	.	.	H	α-helix	trans	-63.2	-43.6	176.8	-176.6	63.2	0	0	0	110.7	Y39 L56 L57 K63 I64	Y39-L60 HydrophobicContact CD2-CD1 4.14Å; Y39-L60 HydrophobicContact CG-CD1 4.03Å; L56-L60 WeakPolarHBondContact O-CB 3.34Å; L56-L60 PolarHBondContact O-N 3.1Å; L57-L60 WeakPolarHBondContact O-CB 3.22Å; L57-L60 PolarHBondContact O-N 2.97Å; L57-L60 VanDerWaalsContact O-N 3.07Å; L60-K63 PolarHBondContact O-N 3.45Å; L60-I64 HydrophobicContact CD1-CD1 4.22Å; L60-I64 HydrophobicContact CG-CD1 3.89Å; L60-I64 WeakPolarHBondContact O-CB 3.4Å; L60-I64 WeakPolarHBondContact O-CG1 3.48Å; L60-I64 PolarHBondContact O-N 3.31Å
61	L	55.3	Low	52.6	Low	12 Å²	12	61 Å²	61	6%	0.063	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-43.2	177	-66.3	176.6	0	0	0	112.8	L57 N58 K59 K63 I64 N65 G81 K85	L57-L61 WeakPolarHBondContact O-CB 3.41Å; L57-L61 WeakPolarHBondContact O-CG 3.48Å; L57-L61 PolarHBondContact O-N 2.91Å; N58-L61 PolarHBondContact O-N 3.06Å; K59-L61 VanDerWaalsContact C-N 3.34Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 3.17Å; L61-I64 PolarHBondContact O-N 3.03Å; L61-N65 WeakPolarHBondContact O-CB 3.46Å; L61-N65 PolarHBondContact O-N 3.47Å; L61-N65 PolarHBondContact O-ND2 3.17Å; L61-G81 WeakPolarHBondContact CD2-O 3.43Å; L61-K85 HydrophobicContact CD1-CB 3.75Å; L61-K85 HydrophobicContact CD1-CD 4.18Å; L61-K85 HydrophobicContact CD1-CG 4.11Å
62	E	60.2	Low	52.8	Low	131 Å²	131	63.8 Å²	63.8	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-59.5	-45.7	176.9	-172.2	177.1	-168.1	0	0	110.6	N58 K59 N65 V66	N58-E62 WeakPolarHBondContact O-CB 3.41Å; N58-E62 PolarHBondContact O-N 2.89Å; K59-E62 PolarHBondContact O-N 2.77Å; E62-N65 PolarHBondContact O-N 2.99Å; E62-V66 WeakPolarHBondContact O-CG2 3.44Å; E62-V66 PolarHBondContact O-N 3.28Å
63	K	57.8	Low	52.8	Low	90 Å²	90	63.4 Å²	63.4	39%	0.391	35%	0.35	S	S	.	.	H	α-helix	trans	-68.8	-38.8	178.4	-70	-171.7	-179.8	-164.7	0	113.2	Y39 L40 K59 L60 L61 V66 D67	Y39-K63 HydrophobicContact CD1-CB 4.1Å; Y39-K63 WeakPolarHBondContact O-CD 3.49Å; Y39-K63 WeakPolarHBondContact O-CE 3.26Å; Y39-K63 PolarHBondContact O-NZ 3.48Å; L40-K63 HydrophobicContact CD2-CD 4.42Å; K59-K63 WeakPolarHBondContact O-CG 3.45Å; K59-K63 PolarHBondContact O-N 3.19Å; K59-K63 VanDerWaalsContact O-N 3.12Å; L60-K63 PolarHBondContact O-N 3.45Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 3.17Å; K63-V66 PolarHBondContact O-N 3.48Å; K63-D67 PolarHBondContact O-N 3.41Å; K63-D67 VanDerWaalsContact O-N 3.1Å
64	I	53.4	Low	53	Low	3 Å²	3	61 Å²	61	2%	0.015	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-46.1	172.8	-73.8	169.1	0	0	0	110.3	Y39 L60 L61 V66 D67 V68 W77	Y39-I64 HydrophobicContact CD1-CG1 4.28Å; Y39-I64 HydrophobicContact CD2-CG1 4.42Å; Y39-I64 HydrophobicContact CE1-CG1 4.08Å; Y39-I64 HydrophobicContact CE2-CG1 4.22Å; Y39-I64 HydrophobicContact CG-CG1 4.45Å; L60-I64 HydrophobicContact CD1-CD1 4.22Å; L60-I64 HydrophobicContact CG-CD1 3.89Å; L60-I64 WeakPolarHBondContact O-CB 3.4Å; L60-I64 WeakPolarHBondContact O-CG1 3.48Å; L60-I64 PolarHBondContact O-N 3.31Å; L61-I64 PolarHBondContact O-N 3.03Å; I64-V66 VanDerWaalsContact C-N 3.28Å; I64-V66 PolarHBondContact O-N 3.14Å; I64-D67 PolarHBondContact O-N 3.45Å; I64-D67 VanDerWaalsContact O-N 3.11Å; I64-V68 HydrophobicContact CG2-CG2 4.07Å; I64-V68 WeakPolarHBondContact O-CG2 3.28Å; I64-V68 PolarHBondContact O-N 2.95Å; I64-W77 HydrophobicContact CD1-CB 4.5Å; I64-W77 HydrophobicContact CG1-CB 4.33Å; I64-W77 HydrophobicContact CG2-CB 3.77Å; I64-W77 WeakPolarHBondContact CG2-O 3.47Å
65	N	52.3	Low	53.1	Low	70 Å²	70	64.5 Å²	64.5	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-38.8	179.5	-73.9	-18.3	0	0	0	112.3	L61 E62 F78	L61-N65 WeakPolarHBondContact O-CB 3.46Å; L61-N65 PolarHBondContact O-N 3.47Å; L61-N65 PolarHBondContact O-ND2 3.17Å; E62-N65 PolarHBondContact O-N 2.99Å; N65-F78 WeakPolarHBondContact OD1-CD2 3.48Å; N65-F78 WeakPolarHBondContact OD1-CE2 3.33Å
66	V	56.9	Low	52.8	Low	102 Å²	102	63.8 Å²	63.8	62%	0.618	34%	0.342	S	S	*	.	H	α-helix	trans	-63.8	-44.9	174.5	172.6	0	0	0	0	110.8	E62 K63 I64 V68 V69	E62-V66 WeakPolarHBondContact O-CG2 3.44Å; E62-V66 PolarHBondContact O-N 3.28Å; K63-V66 PolarHBondContact O-N 3.48Å; I64-V66 VanDerWaalsContact C-N 3.28Å; I64-V66 PolarHBondContact O-N 3.14Å; V66-V68 VanDerWaalsContact C-N 3.34Å; V66-V68 PolarHBondContact O-N 2.89Å; V66-V69 PolarHBondContact O-N 2.99Å
67	D	50.8	Low	52.8	Low	38 Å²	38	64.7 Å²	64.7	20%	0.203	34%	0.343	C	S	.	.	H	α-helix	trans	-70.8	-28.3	-177.2	-165.6	43.1	0	0	0	113.3	Y39 K63 I64 V69 T70 N71 S74	Y39-D67 HydrophobicContact CE1-CB 4.14Å; Y39-D67 PolarHBondContact OH-OD2 3.45Å; K63-D67 PolarHBondContact O-N 3.41Å; K63-D67 VanDerWaalsContact O-N 3.1Å; I64-D67 PolarHBondContact O-N 3.45Å; I64-D67 VanDerWaalsContact O-N 3.11Å; D67-V69 VanDerWaalsContact C-N 3.31Å; D67-V69 PolarHBondContact O-N 2.81Å; D67-T70 WeakPolarHBondContact CA-OG1 3.17Å; D67-T70 CarbonylContact O-C 3.46Å; D67-T70 PolarHBondContact O-N 3.37Å; D67-T70 VanDerWaalsContact O-N 3.14Å; D67-T70 PolarHBondContact O-OG1 3.34Å; D67-N71 WeakPolarHBondContact O-CB 3.34Å; D67-N71 PolarHBondContact O-N 3.13Å; D67-S74 PolarHBondContact OD2-OG 2.83Å
68	V	48.1	Very low	52.8	Low	31 Å²	31	66.9 Å²	66.9	19%	0.188	35%	0.351	C	S	.	.	H	α-helix	trans	-65.2	-33.1	178.1	171.2	0	0	0	0	112.8	I64 V66 T70 S74 F78	I64-V68 HydrophobicContact CG2-CG2 4.07Å; I64-V68 WeakPolarHBondContact O-CG2 3.28Å; I64-V68 PolarHBondContact O-N 2.95Å; V66-V68 VanDerWaalsContact C-N 3.34Å; V66-V68 PolarHBondContact O-N 2.89Å; V68-T70 VanDerWaalsContact C-N 3.26Å; V68-T70 PolarHBondContact O-N 3.47Å; V68-S74 WeakPolarHBondContact CG2-O 3.23Å; V68-F78 HydrophobicContact CB-CB 4.36Å; V68-F78 HydrophobicContact CG1-CB 4.03Å; V68-F78 HydrophobicContact CG1-CD2 4.28Å; V68-F78 HydrophobicContact CG1-CG 4.27Å; V68-F78 HydrophobicContact CG2-CB 3.51Å; V68-F78 HydrophobicContact CG2-CD2 4.22Å; V68-F78 HydrophobicContact CG2-CG 4.29Å
69	V	50.7	Low	52.7	Low	130 Å²	130	65.7 Å²	65.7	79%	0.788	34%	0.344	S	S	*	.	H	α-helix	trans	-68.8	-31	176.2	178.5	0	0	0	0	110.8	V66 D67	V66-V69 PolarHBondContact O-N 2.99Å; D67-V69 VanDerWaalsContact C-N 3.31Å; D67-V69 PolarHBondContact O-N 2.81Å
70	T	52.3	Low	52.5	Low	106 Å²	106	61.4 Å²	61.4	65%	0.65	33%	0.326	S	S	*	.	H	α-helix	trans	-96.3	-19.3	-176.2	47.2	0	0	0	0	114.1	D67 V68	D67-T70 WeakPolarHBondContact CA-OG1 3.17Å; D67-T70 CarbonylContact O-C 3.46Å; D67-T70 PolarHBondContact O-N 3.37Å; D67-T70 VanDerWaalsContact O-N 3.14Å; D67-T70 PolarHBondContact O-OG1 3.34Å; V68-T70 VanDerWaalsContact C-N 3.26Å; V68-T70 PolarHBondContact O-N 3.47Å
71	N	49.9	Very low	52.4	Low	51 Å²	51	60.9 Å²	60.9	27%	0.273	32%	0.323	S	S	.	.			trans	-139.4	110.9	-175.8	-172.1	-1.5	0	0	0	111.5	D67 D73 S74	D67-N71 WeakPolarHBondContact O-CB 3.34Å; D67-N71 PolarHBondContact O-N 3.13Å; N71-D73 PolarHBondContact O-N 3.11Å; N71-D73 WeakPolarHBondContact OD1-CB 3.37Å; N71-D73 PolarHBondContact OD1-N 3.35Å; N71-S74 PolarHBondContact ND2-OG 3.37Å; N71-S74 WeakPolarHBondContact O-CA 3.49Å; N71-S74 VanDerWaalsContact O-CB 3.23Å; N71-S74 WeakPolarHBondContact O-CB 3.29Å; N71-S74 PolarHBondContact O-N 3.1Å
72	P	48.6	Very low	52.4	Low	109 Å²	109	62 Å²	62	71%	0.708	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.5	177.3	23.9	-31	0	0	0	113	S74 F75	P72-S74 PolarHBondContact O-N 3.42Å; P72-F75 VanDerWaalsContact O-CB 3.27Å; P72-F75 WeakPolarHBondContact O-CB 3.46Å; P72-F75 PolarHBondContact O-N 2.92Å
73	D	48.5	Very low	52	Low	94 Å²	94	56 Å²	56	50%	0.503	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-69.1	-16.5	171.4	-65.6	-28.1	0	0	0	111.5	N71 F75 R134	N71-D73 PolarHBondContact O-N 3.11Å; N71-D73 WeakPolarHBondContact OD1-CB 3.37Å; N71-D73 PolarHBondContact OD1-N 3.35Å; D73-F75 VanDerWaalsContact C-N 3.35Å; D73-R134 IonicContact OD2-NH1 2.68Å; D73-R134 PolarHBondContact OD2-NH1 3.26Å
74	S	49.6	Very low	51.7	Low	1 Å²	1	52.4 Å²	52.4	1%	0.007	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-82.8	-6.5	173.9	-59.9	0	0	0	0	113.9	D67 V68 N71 P72 L76 W77 F78	D67-S74 PolarHBondContact OD2-OG 2.83Å; V68-S74 WeakPolarHBondContact CG2-O 3.23Å; N71-S74 PolarHBondContact ND2-OG 3.37Å; N71-S74 WeakPolarHBondContact O-CA 3.49Å; N71-S74 VanDerWaalsContact O-CB 3.23Å; N71-S74 WeakPolarHBondContact O-CB 3.29Å; N71-S74 PolarHBondContact O-N 3.1Å; P72-S74 PolarHBondContact O-N 3.42Å; S74-L76 PolarHBondContact O-N 3.4Å; S74-W77 WeakPolarHBondContact O-CA 3.39Å; S74-W77 VanDerWaalsContact O-CB 3.31Å; S74-W77 WeakPolarHBondContact O-CB 3.47Å; S74-W77 PolarHBondContact O-N 3.07Å; S74-F78 PolarHBondContact O-N 3.33Å
75	F	50.3	Low	51.6	Low	96 Å²	96	57.9 Å²	57.9	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-55.5	-33.5	172.9	-177.7	-100.9	0	0	0	112.8	P72 D73 F78 Q79	P72-F75 VanDerWaalsContact O-CB 3.27Å; P72-F75 WeakPolarHBondContact O-CB 3.46Å; P72-F75 PolarHBondContact O-N 2.92Å; D73-F75 VanDerWaalsContact C-N 3.35Å; F75-F78 VanDerWaalsContact O-CB 3.29Å; F75-F78 WeakPolarHBondContact O-CB 3.49Å; F75-F78 PolarHBondContact O-N 3.46Å; F75-Q79 HydrophobicContact CD1-CG 4.3Å; F75-Q79 VanDerWaalsContact CE1-CD 3.41Å; F75-Q79 HydrophobicContact CE1-CG 3.94Å; F75-Q79 VanDerWaalsContact CE1-NE2 3.32Å; F75-Q79 HydrophobicContact CZ-CG 4.22Å; F75-Q79 WeakPolarHBondContact O-CG 3.32Å; F75-Q79 PolarHBondContact O-N 3.06Å
76	L	49.5	Very low	51.5	Low	30 Å²	30	56.9 Å²	56.9	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-39.9	173	-77.8	170.7	0	0	0	112.4	S74 F78 Q79 L80 F106 M142	S74-L76 PolarHBondContact O-N 3.4Å; L76-F78 VanDerWaalsContact C-N 3.33Å; L76-Q79 PolarHBondContact O-N 3.12Å; L76-L80 PolarHBondContact O-N 3.23Å; L76-F106 HydrophobicContact CD1-CE1 4.05Å; L76-F106 HydrophobicContact CD1-CE2 4.18Å; L76-F106 HydrophobicContact CD1-CZ 3.59Å; L76-F106 HydrophobicContact CD2-CD1 4.05Å; L76-F106 HydrophobicContact CD2-CD2 3.65Å; L76-F106 HydrophobicContact CD2-CE1 3.83Å; L76-F106 HydrophobicContact CD2-CE2 3.42Å; L76-F106 VanDerWaalsContact CD2-CE2 3.42Å; L76-F106 HydrophobicContact CD2-CG 3.97Å; L76-F106 HydrophobicContact CD2-CZ 3.53Å; L76-F106 HydrophobicContact CG-CE1 4.44Å; L76-F106 HydrophobicContact CG-CE2 3.9Å; L76-F106 HydrophobicContact CG-CZ 3.83Å; L76-M142 HydrophobicContact CB-SD 4.22Å; L76-M142 HydrophobicContact CD1-CE 4.02Å; L76-M142 HydrophobicContact CD1-SD 3.83Å; L76-M142 HydrophobicContact CD2-CE 4.34Å; L76-M142 HydrophobicContact CD2-SD 4.11Å; L76-M142 HydrophobicContact CG-SD 4.29Å
77	W	51.3	Low	51.1	Low	49 Å²	49	52.5 Å²	52.5	19%	0.186	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-38.4	174.1	-58.3	123.7	0	0	0	110.9	L35 Y39 I64 S74 Q79 L80 G81	L35-W77 HydrophobicContact CD1-CE3 4.43Å; L35-W77 HydrophobicContact CD1-CH2 4.37Å; L35-W77 HydrophobicContact CD1-CZ3 3.69Å; L35-W77 HydrophobicContact CD2-CD2 4.09Å; L35-W77 HydrophobicContact CD2-CE3 3.41Å; L35-W77 VanDerWaalsContact CD2-CE3 3.41Å; L35-W77 HydrophobicContact CD2-CH2 3.47Å; L35-W77 VanDerWaalsContact CD2-CH2 3.47Å; L35-W77 HydrophobicContact CD2-CZ2 4.12Å; L35-W77 HydrophobicContact CD2-CZ3 3.09Å; L35-W77 HydrophobicContact CG-CE3 4.44Å; L35-W77 HydrophobicContact CG-CH2 4.05Å; L35-W77 HydrophobicContact CG-CZ3 3.74Å; Y39-W77 VanDerWaalsContact OH-CD1 3.23Å; I64-W77 HydrophobicContact CD1-CB 4.5Å; I64-W77 HydrophobicContact CG1-CB 4.33Å; I64-W77 HydrophobicContact CG2-CB 3.77Å; I64-W77 WeakPolarHBondContact CG2-O 3.47Å; S74-W77 WeakPolarHBondContact O-CA 3.39Å; S74-W77 VanDerWaalsContact O-CB 3.31Å; S74-W77 WeakPolarHBondContact O-CB 3.47Å; S74-W77 PolarHBondContact O-N 3.07Å; W77-Q79 PolarHBondContact O-N 2.82Å; W77-L80 HydrophobicContact CE3-CD2 4.01Å; W77-L80 HydrophobicContact CZ3-CD2 4.03Å; W77-L80 PolarHBondContact O-N 3.05Å; W77-G81 PolarHBondContact O-N 3.4Å
78	F	53.3	Low	51	Low	78 Å²	78	55.2 Å²	55.2	34%	0.342	29%	0.291	S	S	.	.	H	α-helix	trans	-58.2	-45.2	172.4	-173.5	-103.1	0	0	0	112.6	N65 V68 S74 F75 L76 G81 S82	N65-F78 WeakPolarHBondContact OD1-CD2 3.48Å; N65-F78 WeakPolarHBondContact OD1-CE2 3.33Å; V68-F78 HydrophobicContact CB-CB 4.36Å; V68-F78 HydrophobicContact CG1-CB 4.03Å; V68-F78 HydrophobicContact CG1-CD2 4.28Å; V68-F78 HydrophobicContact CG1-CG 4.27Å; V68-F78 HydrophobicContact CG2-CB 3.51Å; V68-F78 HydrophobicContact CG2-CD2 4.22Å; V68-F78 HydrophobicContact CG2-CG 4.29Å; S74-F78 PolarHBondContact O-N 3.33Å; F75-F78 VanDerWaalsContact O-CB 3.29Å; F75-F78 WeakPolarHBondContact O-CB 3.49Å; F75-F78 PolarHBondContact O-N 3.46Å; L76-F78 VanDerWaalsContact C-N 3.33Å; F78-G81 PolarHBondContact O-N 3.38Å; F78-S82 WeakPolarHBondContact O-CB 3.4Å; F78-S82 PolarHBondContact O-N 2.99Å; F78-S82 PolarHBondContact O-OG 3.38Å
79	Q	53.3	Low	51.2	Low	43 Å²	43	60.5 Å²	60.5	20%	0.201	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-44.1	179.8	-71.6	-173.9	-45.2	0	0	111	F75 L76 W77 G81 S82 A83	F75-Q79 HydrophobicContact CD1-CG 4.3Å; F75-Q79 VanDerWaalsContact CE1-CD 3.41Å; F75-Q79 HydrophobicContact CE1-CG 3.94Å; F75-Q79 VanDerWaalsContact CE1-NE2 3.32Å; F75-Q79 HydrophobicContact CZ-CG 4.22Å; F75-Q79 WeakPolarHBondContact O-CG 3.32Å; F75-Q79 PolarHBondContact O-N 3.06Å; L76-Q79 PolarHBondContact O-N 3.12Å; W77-Q79 PolarHBondContact O-N 2.82Å; Q79-G81 VanDerWaalsContact C-N 3.33Å; Q79-G81 PolarHBondContact O-N 3.07Å; Q79-S82 PolarHBondContact O-N 3.22Å; Q79-A83 WeakPolarHBondContact O-CB 3.29Å; Q79-A83 PolarHBondContact O-N 3.09Å
80	L	55.1	Low	50.8	Low	13 Å²	13	58 Å²	58	7%	0.068	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-44.4	174.4	-172.4	67.6	0	0	0	111	L35 L76 W77 A83 L84 L99 C145	L35-L80 HydrophobicContact CD1-CD2 4.2Å; L76-L80 PolarHBondContact O-N 3.23Å; W77-L80 HydrophobicContact CE3-CD2 4.01Å; W77-L80 HydrophobicContact CZ3-CD2 4.03Å; W77-L80 PolarHBondContact O-N 3.05Å; L80-A83 PolarHBondContact O-N 3.3Å; L80-L84 HydrophobicContact CG-CD1 4.47Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.15Å; L80-L99 HydrophobicContact CD1-CD2 4.45Å; L80-C145 HydrophobicContact CD2-CB 4.21Å
81	G	53.1	Low	50.7	Low	1 Å²	1	58.3 Å²	58.3	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-47.1	175.7	0	0	0	0	0	113.3	L61 W77 F78 Q79 A83 L84 K85	L61-G81 WeakPolarHBondContact CD2-O 3.43Å; W77-G81 PolarHBondContact O-N 3.4Å; F78-G81 PolarHBondContact O-N 3.38Å; Q79-G81 VanDerWaalsContact C-N 3.33Å; Q79-G81 PolarHBondContact O-N 3.07Å; G81-A83 VanDerWaalsContact C-N 3.26Å; G81-A83 PolarHBondContact O-N 2.94Å; G81-L84 WeakPolarHBondContact O-CB 3.45Å; G81-L84 PolarHBondContact O-N 3.06Å; G81-L84 VanDerWaalsContact O-N 3.09Å; G81-K85 PolarHBondContact O-N 3.38Å
82	S	55.8	Low	50.4	Low	36 Å²	36	58.9 Å²	58.9	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-60.1	-40	177.6	-61.5	0	0	0	0	111.3	F78 Q79 K85 E86	F78-S82 WeakPolarHBondContact O-CB 3.4Å; F78-S82 PolarHBondContact O-N 2.99Å; F78-S82 PolarHBondContact O-OG 3.38Å; Q79-S82 PolarHBondContact O-N 3.22Å; S82-K85 PolarHBondContact O-N 3.36Å; S82-E86 WeakPolarHBondContact O-CG 3.32Å; S82-E86 PolarHBondContact O-N 2.96Å
83	A	50.7	Low	50.3	Low	6 Å²	6	58.8 Å²	58.8	5%	0.05	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-38.6	174.4	0	0	0	0	0	112.9	Q79 L80 G81 K85 E86 M87 L99	Q79-A83 WeakPolarHBondContact O-CB 3.29Å; Q79-A83 PolarHBondContact O-N 3.09Å; L80-A83 PolarHBondContact O-N 3.3Å; G81-A83 VanDerWaalsContact C-N 3.26Å; G81-A83 PolarHBondContact O-N 2.94Å; A83-K85 VanDerWaalsContact C-N 3.32Å; A83-K85 PolarHBondContact O-N 3Å; A83-E86 PolarHBondContact O-N 3.49Å; A83-M87 WeakPolarHBondContact O-CG 3.27Å; A83-M87 PolarHBondContact O-N 3.25Å; A83-L99 HydrophobicContact CB-CD1 4.35Å; A83-L99 HydrophobicContact CB-CD2 3.27Å; A83-L99 HydrophobicContact CB-CG 3.71Å
84	L	52	Low	50.3	Low	14 Å²	14	59.6 Å²	59.6	7%	0.073	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-36.1	173.7	-68.1	165.8	0	0	0	112.4	L57 L80 G81 M87 L149	L57-L84 HydrophobicContact CD2-CD1 4.48Å; L80-L84 HydrophobicContact CG-CD1 4.47Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.15Å; G81-L84 WeakPolarHBondContact O-CB 3.45Å; G81-L84 PolarHBondContact O-N 3.06Å; G81-L84 VanDerWaalsContact O-N 3.09Å; L84-M87 HydrophobicContact CD2-SD 4.28Å; L84-M87 WeakPolarHBondContact O-CB 2.86Å; L84-M87 PolarHBondContact O-N 2.9Å; L84-L149 HydrophobicContact CD1-CD1 3.72Å; L84-L149 HydrophobicContact CD2-CB 3.6Å; L84-L149 HydrophobicContact CD2-CD1 3.58Å; L84-L149 HydrophobicContact CD2-CG 4.09Å; L84-L149 HydrophobicContact CG-CD1 4.18Å
85	K	50.9	Low	50.1	Low	117 Å²	117	59.8 Å²	59.8	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-69.8	-43.8	175.2	-165.4	174.5	-179.6	173.4	0	111.7	L61 G81 S82 A83 M87 E88	L61-K85 HydrophobicContact CD1-CB 3.75Å; L61-K85 HydrophobicContact CD1-CD 4.18Å; L61-K85 HydrophobicContact CD1-CG 4.11Å; G81-K85 PolarHBondContact O-N 3.38Å; S82-K85 PolarHBondContact O-N 3.36Å; A83-K85 VanDerWaalsContact C-N 3.32Å; A83-K85 PolarHBondContact O-N 3Å; K85-M87 PolarHBondContact O-N 3.38Å; K85-E88 WeakPolarHBondContact O-CB 3.29Å; K85-E88 PolarHBondContact O-N 3.08Å
86	E	49.9	Very low	49.9	Very low	49 Å²	49	57.5 Å²	57.5	23%	0.229	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-26.9	175.5	-72.3	176.8	-173.5	0	0	112.4	S82 A83 E88 D89 L90 R98	S82-E86 WeakPolarHBondContact O-CG 3.32Å; S82-E86 PolarHBondContact O-N 2.96Å; A83-E86 PolarHBondContact O-N 3.49Å; E86-E88 PolarHBondContact O-N 2.89Å; E86-D89 PolarHBondContact O-N 2.86Å; E86-L90 WeakPolarHBondContact O-CB 3.08Å; E86-L90 PolarHBondContact O-N 3.28Å; E86-L90 VanDerWaalsContact O-N 3.08Å; E86-R98 IonicContact OE1-CZ 3.35Å; E86-R98 IonicContact OE1-NE 3.65Å; E86-R98 IonicContact OE1-NH2 2.71Å; E86-R98 PolarHBondContact OE1-NH2 3.13Å; E86-R98 VanDerWaalsContact OE2-CD 3.23Å; E86-R98 WeakPolarHBondContact OE2-CD 3.28Å; E86-R98 IonicContact OE2-CZ 3.12Å; E86-R98 IonicContact OE2-NE 2.83Å; E86-R98 PolarHBondContact OE2-NE 3.41Å; E86-R98 IonicContact OE2-NH1 3.87Å; E86-R98 IonicContact OE2-NH2 3.35Å; E86-R98 PolarHBondContact OE2-NH2 3.39Å
87	M	48.6	Very low	49.9	Very low	11 Å²	11	58.9 Å²	58.9	5%	0.054	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-26	171.5	-77.4	177.4	-174.6	0	0	112.9	A83 L84 K85 D89 A95 L99 L150 K153	A83-M87 WeakPolarHBondContact O-CG 3.27Å; A83-M87 PolarHBondContact O-N 3.25Å; L84-M87 HydrophobicContact CD2-SD 4.28Å; L84-M87 WeakPolarHBondContact O-CB 2.86Å; L84-M87 PolarHBondContact O-N 2.9Å; K85-M87 PolarHBondContact O-N 3.38Å; M87-D89 VanDerWaalsContact C-N 3.27Å; M87-D89 PolarHBondContact O-N 3.04Å; M87-A95 HydrophobicContact CB-CB 4.4Å; M87-A95 HydrophobicContact CE-CB 3.86Å; M87-A95 HydrophobicContact CG-CB 3.33Å; M87-A95 HydrophobicContact SD-CB 4.46Å; M87-L99 HydrophobicContact CE-CD1 3.28Å; M87-L99 HydrophobicContact CE-CG 4.36Å; M87-L150 HydrophobicContact CE-CD1 3.78Å; M87-L150 HydrophobicContact SD-CD1 4.02Å; M87-K153 PolarHBondContact O-NZ 2.84Å
88	E	49.9	Very low	49.8	Very low	95 Å²	95	61 Å²	61	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-33.3	176.6	-157.4	171.1	-178.2	0	0	111.7	K85 E86	K85-E88 WeakPolarHBondContact O-CB 3.29Å; K85-E88 PolarHBondContact O-N 3.08Å; E86-E88 PolarHBondContact O-N 2.89Å
89	D	51.1	Low	49.7	Very low	142 Å²	142	57.8 Å²	57.8	76%	0.759	29%	0.294	S	S	*	.	H	α-helix	trans	-104.9	-17.9	-173.7	-69.7	-36.7	0	0	0	115	E86 M87	E86-D89 PolarHBondContact O-N 2.86Å; M87-D89 VanDerWaalsContact C-N 3.27Å; M87-D89 PolarHBondContact O-N 3.04Å
90	L	44	Very low	49.3	Very low	76 Å²	76	58.2 Å²	58.2	40%	0.398	30%	0.3	S	S	.	.	S	Bend	trans	-123	141.6	-169.8	-72.2	159.9	0	0	0	113.4	E86 F92 F94	E86-L90 WeakPolarHBondContact O-CB 3.08Å; E86-L90 PolarHBondContact O-N 3.28Å; E86-L90 VanDerWaalsContact O-N 3.08Å; L90-F92 PolarHBondContact O-N 2.93Å; L90-F94 HydrophobicContact CB-CD1 4.44Å; L90-F94 HydrophobicContact CD1-CD1 3.9Å; L90-F94 HydrophobicContact CD1-CE1 4.12Å; L90-F94 HydrophobicContact CD2-CD1 4.36Å; L90-F94 HydrophobicContact CG-CD1 4.47Å
91	N	49.4	Very low	49.1	Very low	114 Å²	114	63.3 Å²	63.3	61%	0.61	32%	0.323	S	S	*	.			trans	-42.8	123	170.6	-175.5	-21.4	0	0	0	110.1	N93 F94 A95	N91-N93 PolarHBondContact O-N 2.85Å; N91-N93 PolarHBondContact OD1-N 3.31Å; N91-F94 WeakPolarHBondContact O-CA 3.15Å; N91-F94 VanDerWaalsContact O-CB 3.29Å; N91-F94 WeakPolarHBondContact O-CB 3.08Å; N91-F94 PolarHBondContact O-N 3.34Å; N91-A95 PolarHBondContact O-N 3.24Å
92	F	43.4	Very low	49	Very low	63 Å²	63	65.7 Å²	65.7	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-32.8	-46.4	179	179.4	-84.5	0	0	0	114.9	L90 F94 A95 L96 L150 L154	L90-F92 PolarHBondContact O-N 2.93Å; F92-F94 VanDerWaalsContact C-N 3.27Å; F92-F94 PolarHBondContact O-N 3.26Å; F92-A95 PolarHBondContact O-N 2.99Å; F92-L96 HydrophobicContact CE1-CD2 4.39Å; F92-L96 WeakPolarHBondContact O-CB 3.45Å; F92-L96 PolarHBondContact O-N 3.2Å; F92-L150 HydrophobicContact CD1-CD1 4.41Å; F92-L150 HydrophobicContact CD2-CD1 3.23Å; F92-L150 HydrophobicContact CD2-CG 3.81Å; F92-L150 HydrophobicContact CE1-CD1 4.22Å; F92-L150 HydrophobicContact CE1-CD2 3.87Å; F92-L150 HydrophobicContact CE1-CG 4.17Å; F92-L150 HydrophobicContact CE2-CB 4.3Å; F92-L150 HydrophobicContact CE2-CD1 3.05Å; F92-L150 HydrophobicContact CE2-CD2 3.66Å; F92-L150 HydrophobicContact CE2-CG 3.02Å; F92-L150 HydrophobicContact CG-CD1 3.96Å; F92-L150 HydrophobicContact CZ-CD1 3.57Å; F92-L150 HydrophobicContact CZ-CD2 3.24Å; F92-L150 HydrophobicContact CZ-CG 3.22Å; F92-L154 HydrophobicContact CD2-CD1 4.33Å; F92-L154 HydrophobicContact CD2-CD2 3.89Å; F92-L154 HydrophobicContact CD2-CG 4.08Å; F92-L154 HydrophobicContact CE2-CD1 3.35Å; F92-L154 HydrophobicContact CE2-CD2 3.74Å; F92-L154 HydrophobicContact CE2-CG 3.48Å; F92-L154 VanDerWaalsContact CE2-CG 3.48Å; F92-L154 HydrophobicContact CZ-CD1 3.62Å; F92-L154 HydrophobicContact CZ-CG 4.27Å
93	N	45.7	Very low	48.5	Very low	107 Å²	107	65.4 Å²	65.4	57%	0.572	33%	0.328	S	S	*	.	H	α-helix	trans	-63.2	-34.1	-177.6	-67.5	-41.2	0	0	0	112.7	N91 A97	N91-N93 PolarHBondContact O-N 2.85Å; N91-N93 PolarHBondContact OD1-N 3.31Å; N93-A97 WeakPolarHBondContact O-CB 3.38Å; N93-A97 PolarHBondContact O-N 3.32Å
94	F	49.7	Very low	48.3	Very low	111 Å²	111	69.5 Å²	69.5	49%	0.487	35%	0.349	S	S	.	.	H	α-helix	trans	-73.5	-41.5	178.8	-165.2	-93.1	0	0	0	111.6	L90 N91 F92 A97 R98	L90-F94 HydrophobicContact CB-CD1 4.44Å; L90-F94 HydrophobicContact CD1-CD1 3.9Å; L90-F94 HydrophobicContact CD1-CE1 4.12Å; L90-F94 HydrophobicContact CD2-CD1 4.36Å; L90-F94 HydrophobicContact CG-CD1 4.47Å; N91-F94 WeakPolarHBondContact O-CA 3.15Å; N91-F94 VanDerWaalsContact O-CB 3.29Å; N91-F94 WeakPolarHBondContact O-CB 3.08Å; N91-F94 PolarHBondContact O-N 3.34Å; F92-F94 VanDerWaalsContact C-N 3.27Å; F92-F94 PolarHBondContact O-N 3.26Å; F94-A97 PolarHBondContact O-N 2.84Å; F94-R98 WeakPolarHBondContact O-CB 3.24Å; F94-R98 PolarHBondContact O-N 2.68Å
95	A	45.6	Very low	48.1	Very low	4 Å²	4	72.7 Å²	72.7	3%	0.033	37%	0.366	C	S	.	.	H	α-helix	trans	-65.9	-40.9	176.6	0	0	0	0	0	111.9	M87 N91 F92 R98 L99	M87-A95 HydrophobicContact CB-CB 4.4Å; M87-A95 HydrophobicContact CE-CB 3.86Å; M87-A95 HydrophobicContact CG-CB 3.33Å; M87-A95 HydrophobicContact SD-CB 4.46Å; N91-A95 PolarHBondContact O-N 3.24Å; F92-A95 PolarHBondContact O-N 2.99Å; A95-R98 PolarHBondContact O-N 3.5Å; A95-L99 WeakPolarHBondContact O-CB 3.48Å; A95-L99 PolarHBondContact O-N 2.95Å
96	L	45.3	Very low	47.8	Very low	49 Å²	49	68.9 Å²	68.9	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-45.3	173.9	-179.4	62.8	0	0	0	112	F92 R98 L99 T100 L147 L150	F92-L96 HydrophobicContact CE1-CD2 4.39Å; F92-L96 WeakPolarHBondContact O-CB 3.45Å; F92-L96 PolarHBondContact O-N 3.2Å; L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 PolarHBondContact O-N 3.33Å; L96-L99 PolarHBondContact O-N 3.14Å; L96-T100 WeakPolarHBondContact O-CB 3.13Å; L96-T100 PolarHBondContact O-N 3.12Å; L96-T100 PolarHBondContact O-OG1 3.13Å; L96-L147 HydrophobicContact CD1-CD2 4.15Å; L96-L150 HydrophobicContact CD1-CD2 4.02Å
97	A	49.1	Very low	47.2	Very low	59 Å²	59	68.5 Å²	68.5	49%	0.488	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-40.9	177.1	0	0	0	0	0	111.7	N93 F94 T100 Q101	N93-A97 WeakPolarHBondContact O-CB 3.38Å; N93-A97 PolarHBondContact O-N 3.32Å; F94-A97 PolarHBondContact O-N 2.84Å; A97-T100 PolarHBondContact O-N 2.95Å; A97-Q101 WeakPolarHBondContact O-CB 3.15Å; A97-Q101 PolarHBondContact O-N 3.34Å
98	R	50.8	Low	46.8	Very low	92 Å²	92	73 Å²	73	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-71.6	-40.6	-180	-170.9	163.5	169.2	154.2	-12.7	112.7	E86 F94 A95 L96 T100 Q101 Q102	E86-R98 IonicContact OE1-CZ 3.35Å; E86-R98 IonicContact OE1-NE 3.65Å; E86-R98 IonicContact OE1-NH2 2.71Å; E86-R98 PolarHBondContact OE1-NH2 3.13Å; E86-R98 VanDerWaalsContact OE2-CD 3.23Å; E86-R98 WeakPolarHBondContact OE2-CD 3.28Å; E86-R98 IonicContact OE2-CZ 3.12Å; E86-R98 IonicContact OE2-NE 2.83Å; E86-R98 PolarHBondContact OE2-NE 3.41Å; E86-R98 IonicContact OE2-NH1 3.87Å; E86-R98 IonicContact OE2-NH2 3.35Å; E86-R98 PolarHBondContact OE2-NH2 3.39Å; F94-R98 WeakPolarHBondContact O-CB 3.24Å; F94-R98 PolarHBondContact O-N 2.68Å; A95-R98 PolarHBondContact O-N 3.5Å; L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 PolarHBondContact O-N 3.33Å; R98-T100 VanDerWaalsContact C-N 3.33Å; R98-Q101 PolarHBondContact O-N 2.98Å; R98-Q102 WeakPolarHBondContact O-CB 3.3Å; R98-Q102 WeakPolarHBondContact O-CG 3.29Å; R98-Q102 PolarHBondContact O-N 2.68Å
99	L	49.5	Very low	46.6	Very low	12 Å²	12	77.1 Å²	77.1	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-56.4	-49.9	170.3	-86.3	173.6	0	0	0	110.6	L80 A83 M87 A95 L96 Q101 Q102 F103	L80-L99 HydrophobicContact CD1-CD2 4.45Å; A83-L99 HydrophobicContact CB-CD1 4.35Å; A83-L99 HydrophobicContact CB-CD2 3.27Å; A83-L99 HydrophobicContact CB-CG 3.71Å; M87-L99 HydrophobicContact CE-CD1 3.28Å; M87-L99 HydrophobicContact CE-CG 4.36Å; A95-L99 WeakPolarHBondContact O-CB 3.48Å; A95-L99 PolarHBondContact O-N 2.95Å; L96-L99 PolarHBondContact O-N 3.14Å; L99-Q101 VanDerWaalsContact C-N 3.35Å; L99-Q101 PolarHBondContact O-N 2.85Å; L99-Q102 PolarHBondContact O-N 3.45Å; L99-F103 HydrophobicContact CD2-CE2 4.29Å; L99-F103 WeakPolarHBondContact O-CD2 3.28Å; L99-F103 PolarHBondContact O-N 2.76Å
100	T	46.5	Very low	46.2	Very low	51 Å²	51	72.6 Å²	72.6	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-57.7	-47.4	178	-52.6	0	0	0	0	111.2	L96 A97 R98 Q102 F103 D104	L96-T100 WeakPolarHBondContact O-CB 3.13Å; L96-T100 PolarHBondContact O-N 3.12Å; L96-T100 PolarHBondContact O-OG1 3.13Å; A97-T100 PolarHBondContact O-N 2.95Å; R98-T100 VanDerWaalsContact C-N 3.33Å; T100-Q102 VanDerWaalsContact C-N 3.34Å; T100-Q102 PolarHBondContact O-N 2.7Å; T100-F103 WeakPolarHBondContact O-CB 3.13Å; T100-F103 PolarHBondContact O-N 3.17Å; T100-D104 PolarHBondContact O-N 3.48Å
101	Q	50.1	Low	45.8	Very low	120 Å²	120	74.3 Å²	74.3	56%	0.561	37%	0.366	S	S	*	.	H	α-helix	trans	-62.4	-38.3	177.5	-171.3	-177	14	0	0	113	A97 R98 L99 N105	A97-Q101 WeakPolarHBondContact O-CB 3.15Å; A97-Q101 PolarHBondContact O-N 3.34Å; R98-Q101 PolarHBondContact O-N 2.98Å; L99-Q101 VanDerWaalsContact C-N 3.35Å; L99-Q101 PolarHBondContact O-N 2.85Å; Q101-N105 WeakPolarHBondContact O-CB 3.3Å; Q101-N105 PolarHBondContact O-N 3.15Å; Q101-N105 VanDerWaalsContact O-N 3.1Å; Q101-N105 PolarHBondContact O-ND2 3.13Å
102	Q	50.3	Low	45.9	Very low	52 Å²	52	71.8 Å²	71.8	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-68.5	-37.6	176	-74.3	-170.2	-0.2	0	0	111.6	R98 L99 T100 F106	R98-Q102 WeakPolarHBondContact O-CB 3.3Å; R98-Q102 WeakPolarHBondContact O-CG 3.29Å; R98-Q102 PolarHBondContact O-N 2.68Å; L99-Q102 PolarHBondContact O-N 3.45Å; T100-Q102 VanDerWaalsContact C-N 3.34Å; T100-Q102 PolarHBondContact O-N 2.7Å; Q102-F106 WeakPolarHBondContact O-CB 3.3Å; Q102-F106 PolarHBondContact O-N 2.82Å
103	F	46.5	Very low	46	Very low	30 Å²	30	70.6 Å²	70.6	13%	0.132	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-47	172.2	-83.1	-65.7	0	0	0	112.2	L99 T100 N105 F106 V107 M142	L99-F103 HydrophobicContact CD2-CE2 4.29Å; L99-F103 WeakPolarHBondContact O-CD2 3.28Å; L99-F103 PolarHBondContact O-N 2.76Å; T100-F103 WeakPolarHBondContact O-CB 3.13Å; T100-F103 PolarHBondContact O-N 3.17Å; F103-N105 VanDerWaalsContact C-N 3.3Å; F103-N105 PolarHBondContact O-N 3.28Å; F103-F106 PolarHBondContact O-N 2.95Å; F103-F106 VanDerWaalsContact O-N 3.08Å; F103-V107 VanDerWaalsContact O-CG2 3.29Å; F103-V107 WeakPolarHBondContact O-CG2 3.49Å; F103-V107 PolarHBondContact O-N 3.25Å; F103-M142 HydrophobicContact CE1-CB 3.39Å; F103-M142 HydrophobicContact CE1-CE 4.23Å; F103-M142 HydrophobicContact CE1-CG 4.47Å; F103-M142 HydrophobicContact CE1-SD 4.38Å; F103-M142 HydrophobicContact CZ-CB 3.48Å; F103-M142 VanDerWaalsContact CZ-CB 3.48Å
104	D	45.8	Very low	45.7	Very low	92 Å²	92	68.3 Å²	68.3	49%	0.492	35%	0.347	S	S	.	.	H	α-helix	trans	-59.2	-43.4	178.6	-69.7	-23.1	0	0	0	111.3	T100 F106 V107 L108	T100-D104 PolarHBondContact O-N 3.48Å; D104-F106 VanDerWaalsContact C-N 3.35Å; D104-F106 PolarHBondContact O-N 3.39Å; D104-V107 PolarHBondContact O-N 3.13Å; D104-L108 WeakPolarHBondContact O-CB 3.08Å; D104-L108 WeakPolarHBondContact O-CD1 3.37Å; D104-L108 VanDerWaalsContact O-CG 3.29Å; D104-L108 WeakPolarHBondContact O-CG 3.41Å; D104-L108 PolarHBondContact O-N 2.8Å
105	N	49.1	Very low	45.6	Very low	80 Å²	80	66.8 Å²	66.8	43%	0.428	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-36.5	175.6	-75.5	-38.9	0	0	0	112.8	Q101 F103 R109	Q101-N105 WeakPolarHBondContact O-CB 3.3Å; Q101-N105 PolarHBondContact O-N 3.15Å; Q101-N105 VanDerWaalsContact O-N 3.1Å; Q101-N105 PolarHBondContact O-ND2 3.13Å; F103-N105 VanDerWaalsContact C-N 3.3Å; F103-N105 PolarHBondContact O-N 3.28Å; N105-R109 WeakPolarHBondContact O-CB 3.24Å; N105-R109 VanDerWaalsContact O-CG 3.3Å; N105-R109 WeakPolarHBondContact O-CG 3.48Å; N105-R109 PolarHBondContact O-N 3.5Å
106	F	44.2	Very low	45.6	Very low	38 Å²	38	71.9 Å²	71.9	17%	0.167	37%	0.373	C	S	.	.	H	α-helix	trans	-69.7	-42.8	177.5	-174.3	-97.5	0	0	0	111.7	L76 Q102 F103 D104 R109 Q110 M142	L76-F106 HydrophobicContact CD1-CE1 4.05Å; L76-F106 HydrophobicContact CD1-CE2 4.18Å; L76-F106 HydrophobicContact CD1-CZ 3.59Å; L76-F106 HydrophobicContact CD2-CD1 4.05Å; L76-F106 HydrophobicContact CD2-CD2 3.65Å; L76-F106 HydrophobicContact CD2-CE1 3.83Å; L76-F106 HydrophobicContact CD2-CE2 3.42Å; L76-F106 VanDerWaalsContact CD2-CE2 3.42Å; L76-F106 HydrophobicContact CD2-CG 3.97Å; L76-F106 HydrophobicContact CD2-CZ 3.53Å; L76-F106 HydrophobicContact CG-CE1 4.44Å; L76-F106 HydrophobicContact CG-CE2 3.9Å; L76-F106 HydrophobicContact CG-CZ 3.83Å; Q102-F106 WeakPolarHBondContact O-CB 3.3Å; Q102-F106 PolarHBondContact O-N 2.82Å; F103-F106 PolarHBondContact O-N 2.95Å; F103-F106 VanDerWaalsContact O-N 3.08Å; D104-F106 VanDerWaalsContact C-N 3.35Å; D104-F106 PolarHBondContact O-N 3.39Å; F106-R109 PolarHBondContact O-N 3.19Å; F106-Q110 HydrophobicContact CD1-CG 4.41Å; F106-Q110 VanDerWaalsContact CE1-CD 3.45Å; F106-Q110 HydrophobicContact CE1-CG 3.85Å; F106-Q110 HydrophobicContact CZ-CG 3.96Å; F106-Q110 PolarHBondContact O-N 3.46Å; F106-M142 HydrophobicContact CE1-CE 4.42Å
107	V	36.9	Very low	45.5	Very low	40 Å²	40	76.1 Å²	76.1	24%	0.242	39%	0.389	C	S	.	.	H	α-helix	trans	-60.5	-46.4	175	172.5	0	0	0	0	110.5	F103 D104 R109 Q110 Q111 C139	F103-V107 VanDerWaalsContact O-CG2 3.29Å; F103-V107 WeakPolarHBondContact O-CG2 3.49Å; F103-V107 PolarHBondContact O-N 3.25Å; D104-V107 PolarHBondContact O-N 3.13Å; V107-R109 VanDerWaalsContact C-N 3.33Å; V107-R109 PolarHBondContact O-N 2.61Å; V107-Q110 PolarHBondContact O-N 2.68Å; V107-Q111 HydrophobicContact CG1-CG 4.43Å; V107-Q111 WeakPolarHBondContact O-CB 3.38Å; V107-Q111 WeakPolarHBondContact O-CG 3.24Å; V107-Q111 PolarHBondContact O-N 3.04Å; V107-C139 HydrophobicContact CG2-CB 4.28Å
108	L	40.5	Very low	45.4	Very low	106 Å²	106	76.3 Å²	76.3	56%	0.555	39%	0.391	S	S	*	.	H	α-helix	trans	-61.5	-40.3	177.1	-75.8	164.9	0	0	0	112.2	D104 S112	D104-L108 WeakPolarHBondContact O-CB 3.08Å; D104-L108 WeakPolarHBondContact O-CD1 3.37Å; D104-L108 VanDerWaalsContact O-CG 3.29Å; D104-L108 WeakPolarHBondContact O-CG 3.41Å; D104-L108 PolarHBondContact O-N 2.8Å; L108-S112 PolarHBondContact O-N 3.45Å; L108-S112 VanDerWaalsContact O-N 3.08Å
109	R	44.5	Very low	45.3	Very low	181 Å²	181	78.7 Å²	78.7	68%	0.683	41%	0.406	S	S	*	.	H	α-helix	trans	-68.6	-39.4	176.2	-74.9	179.3	-176.2	-168.2	2.3	112.4	N105 F106 V107 S112 A113	N105-R109 WeakPolarHBondContact O-CB 3.24Å; N105-R109 VanDerWaalsContact O-CG 3.3Å; N105-R109 WeakPolarHBondContact O-CG 3.48Å; N105-R109 PolarHBondContact O-N 3.5Å; F106-R109 PolarHBondContact O-N 3.19Å; V107-R109 VanDerWaalsContact C-N 3.33Å; V107-R109 PolarHBondContact O-N 2.61Å; R109-S112 PolarHBondContact O-N 2.98Å; R109-S112 PolarHBondContact O-OG 3.32Å; R109-A113 PolarHBondContact O-N 3Å
110	Q	43.2	Very low	45.2	Very low	47 Å²	47	81.8 Å²	81.8	22%	0.22	43%	0.428	C	S	.	.	H	α-helix	trans	-68.3	-40.4	175.4	-84	-160.3	-4.2	0	0	112.8	F106 V107 S112 A113 D114	F106-Q110 HydrophobicContact CD1-CG 4.41Å; F106-Q110 VanDerWaalsContact CE1-CD 3.45Å; F106-Q110 HydrophobicContact CE1-CG 3.85Å; F106-Q110 HydrophobicContact CZ-CG 3.96Å; F106-Q110 PolarHBondContact O-N 3.46Å; V107-Q110 PolarHBondContact O-N 2.68Å; Q110-S112 VanDerWaalsContact C-N 3.27Å; Q110-S112 PolarHBondContact O-N 2.85Å; Q110-A113 PolarHBondContact O-N 3.14Å; Q110-A113 VanDerWaalsContact O-N 3.15Å; Q110-D114 PolarHBondContact O-N 3.04Å
111	Q	36.9	Very low	45.3	Very low	112 Å²	112	85.2 Å²	85.2	52%	0.523	44%	0.444	S	S	.	.	H	α-helix	trans	-60.8	-39	174.5	-73.6	178.2	1.9	0	0	111.1	V107 D114 T115	V107-Q111 HydrophobicContact CG1-CG 4.43Å; V107-Q111 WeakPolarHBondContact O-CB 3.38Å; V107-Q111 WeakPolarHBondContact O-CG 3.24Å; V107-Q111 PolarHBondContact O-N 3.04Å; Q111-D114 PolarHBondContact O-N 2.65Å; Q111-T115 WeakPolarHBondContact O-CB 3.25Å; Q111-T115 PolarHBondContact O-N 3.34Å; Q111-T115 PolarHBondContact O-OG1 3.26Å
112	S	49.6	Very low	45.1	Very low	62 Å²	62	83.6 Å²	83.6	43%	0.434	45%	0.452	S	S	.	.	H	α-helix	trans	-64.8	-40.6	174.4	74.7	0	0	0	0	112.6	L108 R109 Q110 I116	L108-S112 PolarHBondContact O-N 3.45Å; L108-S112 VanDerWaalsContact O-N 3.08Å; R109-S112 PolarHBondContact O-N 2.98Å; R109-S112 PolarHBondContact O-OG 3.32Å; Q110-S112 VanDerWaalsContact C-N 3.27Å; Q110-S112 PolarHBondContact O-N 2.85Å; S112-I116 VanDerWaalsContact O-CD1 3.28Å; S112-I116 WeakPolarHBondContact O-CD1 3.3Å; S112-I116 WeakPolarHBondContact O-CG1 3.33Å; S112-I116 PolarHBondContact O-N 3.27Å
113	A	46.1	Very low	45.1	Very low	37 Å²	37	88 Å²	88	31%	0.306	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-44.5	176.7	0	0	0	0	0	111.8	R109 Q110 T115 I116 F117	R109-A113 PolarHBondContact O-N 3Å; Q110-A113 PolarHBondContact O-N 3.14Å; Q110-A113 VanDerWaalsContact O-N 3.15Å; A113-T115 VanDerWaalsContact C-N 3.35Å; A113-T115 PolarHBondContact O-N 3.43Å; A113-I116 PolarHBondContact O-N 3.27Å; A113-F117 VanDerWaalsContact O-CD2 3.24Å; A113-F117 WeakPolarHBondContact O-CD2 3.33Å; A113-F117 PolarHBondContact O-N 3.31Å
114	D	39.7	Very low	45	Very low	60 Å²	60	95.6 Å²	95.6	32%	0.321	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-34.9	178.8	-72.5	-27.2	0	0	0	113.2	Q110 Q111 I116 F117 A118 R136	Q110-D114 PolarHBondContact O-N 3.04Å; Q111-D114 PolarHBondContact O-N 2.65Å; D114-I116 VanDerWaalsContact C-N 3.3Å; D114-I116 PolarHBondContact O-N 2.87Å; D114-F117 PolarHBondContact O-N 2.91Å; D114-A118 WeakPolarHBondContact O-CB 3.2Å; D114-A118 PolarHBondContact O-N 3.43Å; D114-R136 IonicContact OD1-CZ 3.56Å; D114-R136 VanDerWaalsContact OD1-CZ 3.29Å; D114-R136 IonicContact OD1-NH1 2.66Å; D114-R136 PolarHBondContact OD1-NH1 2.82Å; D114-R136 IonicContact OD1-NH2 2.85Å; D114-R136 PolarHBondContact OD1-NH2 2.92Å; D114-R136 IonicContact OD2-CZ 2.68Å; D114-R136 IonicContact OD2-NH1 3.29Å; D114-R136 PolarHBondContact OD2-NH1 3.4Å; D114-R136 IonicContact OD2-NH2 3.45Å; D114-R136 PolarHBondContact OD2-NH2 2.86Å
115	T	48.2	Very low	44.8	Very low	79 Å²	79	99.8 Å²	99.8	49%	0.485	53%	0.525	S	S	.	.	H	α-helix	trans	-66.4	-37.4	176.2	-48.5	0	0	0	0	110.5	Q111 A113 H119	Q111-T115 WeakPolarHBondContact O-CB 3.25Å; Q111-T115 PolarHBondContact O-N 3.34Å; Q111-T115 PolarHBondContact O-OG1 3.26Å; A113-T115 VanDerWaalsContact C-N 3.35Å; A113-T115 PolarHBondContact O-N 3.43Å; T115-H119 WeakPolarHBondContact O-CB 3.41Å; T115-H119 PolarHBondContact O-N 3.27Å; T115-H119 VanDerWaalsContact O-N 3.13Å; T115-H119 PolarHBondContact O-ND1 2.87Å; T115-H119 VanDerWaalsContact O-ND1 3.13Å
116	I	45.4	Very low	44.3	Very low	111 Å²	111	103.8 Å²	103.8	57%	0.569	55%	0.546	S	S	*	.	H	α-helix	trans	-69.3	-40.8	175.6	-65.3	164	0	0	0	111.4	S112 A113 D114 S120	S112-I116 VanDerWaalsContact O-CD1 3.28Å; S112-I116 WeakPolarHBondContact O-CD1 3.3Å; S112-I116 WeakPolarHBondContact O-CG1 3.33Å; S112-I116 PolarHBondContact O-N 3.27Å; A113-I116 PolarHBondContact O-N 3.27Å; D114-I116 VanDerWaalsContact C-N 3.3Å; D114-I116 PolarHBondContact O-N 2.87Å; I116-S120 WeakPolarHBondContact O-CB 3.42Å; I116-S120 PolarHBondContact O-N 3.42Å; I116-S120 VanDerWaalsContact O-N 3.15Å; I116-S120 PolarHBondContact O-OG 3.03Å
117	F	43.5	Very low	44.1	Very low	137 Å²	137	105.6 Å²	105.6	60%	0.601	58%	0.576	S	S	*	*	H	α-helix	trans	-72.5	-36.9	177.2	-85.6	-76.4	0	0	0	113.1	A113 D114 S120 N121	A113-F117 VanDerWaalsContact O-CD2 3.24Å; A113-F117 WeakPolarHBondContact O-CD2 3.33Å; A113-F117 PolarHBondContact O-N 3.31Å; D114-F117 PolarHBondContact O-N 2.91Å; F117-S120 PolarHBondContact O-N 3.32Å; F117-N121 PolarHBondContact O-N 2.99Å; F117-N121 VanDerWaalsContact O-N 3.09Å
118	A	46.2	Very low	43.9	Very low	63 Å²	63	112.6 Å²	112.6	52%	0.521	61%	0.605	S	S	.	*	H	α-helix	trans	-67.5	-34.9	175.6	0	0	0	0	0	112.4	D114	D114-A118 WeakPolarHBondContact O-CB 3.2Å; D114-A118 PolarHBondContact O-N 3.43Å
119	H	48	Very low	43.8	Very low	143 Å²	143	115.1 Å²	115.1	66%	0.662	62%	0.62	S	S	*	*	H	α-helix	trans	-73.4	-27.5	173.5	-80.5	49.9	0	0	0	112.9	T115	T115-H119 WeakPolarHBondContact O-CB 3.41Å; T115-H119 PolarHBondContact O-N 3.27Å; T115-H119 VanDerWaalsContact O-N 3.13Å; T115-H119 PolarHBondContact O-ND1 2.87Å; T115-H119 VanDerWaalsContact O-ND1 3.13Å
120	S	48.2	Very low	43.2	Very low	76 Å²	76	113.1 Å²	113.1	53%	0.531	63%	0.627	S	S	.	*	H	α-helix	trans	-80.5	-27.1	179.2	-59.4	0	0	0	0	113.3	I116 F117	I116-S120 WeakPolarHBondContact O-CB 3.42Å; I116-S120 PolarHBondContact O-N 3.42Å; I116-S120 VanDerWaalsContact O-N 3.15Å; I116-S120 PolarHBondContact O-OG 3.03Å; F117-S120 PolarHBondContact O-N 3.32Å
121	N	48.1	Very low	42.7	Very low	123 Å²	123	116.2 Å²	116.2	66%	0.658	65%	0.654	S	S	*	*	H	α-helix	trans	-88.5	-9	-179.4	-73.9	-16.9	0	0	0	114.4	F117 I123	F117-N121 PolarHBondContact O-N 2.99Å; F117-N121 VanDerWaalsContact O-N 3.09Å; N121-I123 PolarHBondContact O-N 3.03Å
122	A	45.3	Very low	42.5	Very low	86 Å²	86	116.3 Å²	116.3	71%	0.711	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-2	176.5	0	0	0	0	0	114.1
123	I	51.2	Low	41.8	Very low	144 Å²	144	118.1 Å²	118.1	74%	0.738	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-2.5	-174.9	-61.8	178	0	0	0	113.1	N121	N121-I123 PolarHBondContact O-N 3.03Å
124	K	43.6	Very low	41.3	Very low	190 Å²	190	126 Å²	126	83%	0.826	70%	0.701	S	S	*	*			trans	-136	94.1	176.6	-77	-173.4	175.7	179	0	112.9
125	E	41.6	Very low	41	Very low	181 Å²	181	127.5 Å²	127.5	85%	0.846	71%	0.706	S	S	*	*			trans	-57.8	147.3	154	-69.2	-179.3	144.7	0	0	110.7
126	N	40.1	Very low	40.6	Very low	163 Å²	163	129.8 Å²	129.8	87%	0.872	71%	0.706	S	S	*	*			trans	74.4	86.4	166.1	-58.5	-24.8	0	0	0	117.8
127	G	39.2	Very low	40.3	Very low	76 Å²	76	127.3 Å²	127.3	78%	0.784	70%	0.697	S	S	*	*			trans	-170.8	105.6	161.9	0	0	0	0	0	112.2	N129	G127-N129 PolarHBondContact O-N 3.03Å
128	H	33	Very low	40.2	Very low	187 Å²	187	123 Å²	123	87%	0.866	68%	0.684	S	S	*	*			trans	-39.3	123.1	164.9	-83.6	-86.9	0	0	0	112.4
129	N	37.5	Very low	39.7	Very low	160 Å²	160	122 Å²	122	86%	0.856	67%	0.673	S	S	*	*			trans	170.6	83.2	137.2	-84.5	-17.6	0	0	0	110.1	G127	G127-N129 PolarHBondContact O-N 3.03Å
130	V	33.6	Very low	39.2	Very low	139 Å²	139	120.7 Å²	120.7	84%	0.842	67%	0.671	S	S	*	*			trans	-67.9	149.7	160.3	172.6	0	0	0	0	108.2
131	S	32.1	Very low	38.9	Very low	112 Å²	112	117 Å²	117	78%	0.783	65%	0.645	S	S	*	*			trans	93.3	59.2	163.6	70.1	0	0	0	0	119
132	S	33.4	Very low	38.8	Very low	113 Å²	113	111.8 Å²	111.8	79%	0.79	62%	0.617	S	S	*	*			trans	-120.8	68.1	136.7	67.4	0	0	0	0	109.1	R134	S132-R134 PolarHBondContact O-N 3.16Å
133	S	33.8	Very low	38.7	Very low	100 Å²	100	111.8 Å²	111.8	70%	0.699	60%	0.601	S	S	*	*			trans	-73.7	84.6	170.2	59.7	0	0	0	0	108.2	Q135	S133-Q135 VanDerWaalsContact C-N 3.26Å; S133-Q135 PolarHBondContact O-N 3Å
134	R	35.4	Very low	38.4	Very low	203 Å²	203	105.4 Å²	105.4	77%	0.766	57%	0.569	S	S	*	*			trans	-58.2	99.9	156.3	-71.1	-174.7	-174.6	-167.2	3.9	105.4	D73 S132 R136	D73-R134 IonicContact OD2-NH1 2.68Å; D73-R134 PolarHBondContact OD2-NH1 3.26Å; S132-R134 PolarHBondContact O-N 3.16Å; R134-R136 PolarHBondContact O-N 3.11Å
135	Q	34.6	Very low	38.8	Very low	92 Å²	92	96.4 Å²	96.4	43%	0.43	53%	0.53	S	S	.	.			trans	-63.5	105.2	177.4	-82.3	-177.2	-67.3	0	0	106.7	D11 S133	D11-Q135 HydrophobicContact CB-CB 4.03Å; S133-Q135 VanDerWaalsContact C-N 3.26Å; S133-Q135 PolarHBondContact O-N 3Å
136	R	39.4	Very low	39.3	Very low	126 Å²	126	88 Å²	88	48%	0.475	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-53.7	127.7	174.2	-97.5	178.6	167.7	147.1	0.2	108.7	D114 R134 S138	D114-R136 IonicContact OD1-CZ 3.56Å; D114-R136 VanDerWaalsContact OD1-CZ 3.29Å; D114-R136 IonicContact OD1-NH1 2.66Å; D114-R136 PolarHBondContact OD1-NH1 2.82Å; D114-R136 IonicContact OD1-NH2 2.85Å; D114-R136 PolarHBondContact OD1-NH2 2.92Å; D114-R136 IonicContact OD2-CZ 2.68Å; D114-R136 IonicContact OD2-NH1 3.29Å; D114-R136 PolarHBondContact OD2-NH1 3.4Å; D114-R136 IonicContact OD2-NH2 3.45Å; D114-R136 PolarHBondContact OD2-NH2 2.86Å; R134-R136 PolarHBondContact O-N 3.11Å; R136-S138 PolarHBondContact O-N 3.39Å
137	P	39	Very low	39.7	Very low	60 Å²	60	83.2 Å²	83.2	39%	0.39	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-54.6	117.5	163.4	-18.6	29.6	0	0	0	107.4	C139 M142	P137-C139 PolarHBondContact O-N 2.99Å; P137-M142 HydrophobicContact CB-CE 4.31Å; P137-M142 HydrophobicContact CB-CG 4.45Å; P137-M142 HydrophobicContact CB-SD 4.42Å
138	S	40.2	Very low	40.3	Very low	47 Å²	47	79.8 Å²	79.8	33%	0.329	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-61.7	139.8	179.1	78.5	0	0	0	0	108.6	R136 N140 A141	R136-S138 PolarHBondContact O-N 3.39Å; S138-N140 PolarHBondContact O-N 3.24Å; S138-A141 VanDerWaalsContact O-CB 3.28Å; S138-A141 WeakPolarHBondContact O-CB 3.42Å; S138-A141 PolarHBondContact O-N 3.35Å; S138-A141 PolarHBondContact OG-N 3.47Å
139	C	36.2	Very low	41.3	Very low	42 Å²	42	72.2 Å²	72.2	28%	0.284	40%	0.396	S	S	.	.	H	α-helix	trans	-54.2	-27.1	178.7	-62.9	0	0	0	0	112	V107 P137 F143	V107-C139 HydrophobicContact CG2-CB 4.28Å; P137-C139 PolarHBondContact O-N 2.99Å; C139-F143 WeakPolarHBondContact O-CB 3.47Å; C139-F143 PolarHBondContact O-N 2.91Å
140	N	37.9	Very low	41.9	Very low	114 Å²	114	65 Å²	65	61%	0.61	36%	0.357	S	S	*	.	H	α-helix	trans	-65.3	-38.1	174.6	-65	-11.5	0	0	0	112.9	S138 C144	S138-N140 PolarHBondContact O-N 3.24Å; N140-C144 WeakPolarHBondContact O-CB 3.21Å; N140-C144 PolarHBondContact O-N 2.91Å; N140-C144 PolarHBondContact O-SG 3.41Å
141	A	41.1	Very low	42.7	Very low	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-43.3	-179.9	0	0	0	0	0	112.9	Y31 S138 C144 C145	Y31-A141 HydrophobicContact CD1-CB 4.44Å; Y31-A141 HydrophobicContact CD2-CB 4.03Å; Y31-A141 HydrophobicContact CE1-CB 3.75Å; Y31-A141 HydrophobicContact CE2-CB 3.28Å; Y31-A141 WeakPolarHBondContact OH-CB 3.32Å; S138-A141 VanDerWaalsContact O-CB 3.28Å; S138-A141 WeakPolarHBondContact O-CB 3.42Å; S138-A141 PolarHBondContact O-N 3.35Å; S138-A141 PolarHBondContact OG-N 3.47Å; A141-C144 VanDerWaalsContact O-CB 3.29Å; A141-C144 WeakPolarHBondContact O-CB 3.11Å; A141-C144 PolarHBondContact O-N 2.94Å; A141-C145 PolarHBondContact O-N 3.3Å; A141-C145 PolarHBondContact O-SG 3.33Å
142	M	46.8	Very low	43.6	Very low	13 Å²	13	58.3 Å²	58.3	6%	0.064	31%	0.307	C	S	.	.	H	α-helix	trans	-75.3	-35.4	-178.6	-65.8	-173.9	-77	0	0	112.1	L76 F103 F106 P137 C144 C145 G146	L76-M142 HydrophobicContact CB-SD 4.22Å; L76-M142 HydrophobicContact CD1-CE 4.02Å; L76-M142 HydrophobicContact CD1-SD 3.83Å; L76-M142 HydrophobicContact CD2-CE 4.34Å; L76-M142 HydrophobicContact CD2-SD 4.11Å; L76-M142 HydrophobicContact CG-SD 4.29Å; F103-M142 HydrophobicContact CE1-CB 3.39Å; F103-M142 HydrophobicContact CE1-CE 4.23Å; F103-M142 HydrophobicContact CE1-CG 4.47Å; F103-M142 HydrophobicContact CE1-SD 4.38Å; F103-M142 HydrophobicContact CZ-CB 3.48Å; F103-M142 VanDerWaalsContact CZ-CB 3.48Å; F106-M142 HydrophobicContact CE1-CE 4.42Å; P137-M142 HydrophobicContact CB-CE 4.31Å; P137-M142 HydrophobicContact CB-CG 4.45Å; P137-M142 HydrophobicContact CB-SD 4.42Å; M142-C144 VanDerWaalsContact C-N 3.3Å; M142-C145 WeakPolarHBondContact O-CB 3.29Å; M142-C145 PolarHBondContact O-N 3.29Å; M142-G146 PolarHBondContact O-N 2.98Å; M142-G146 VanDerWaalsContact O-N 3.12Å
143	F	44	Very low	44.4	Very low	86 Å²	86	55.8 Å²	55.8	38%	0.377	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-41.3	168.6	-178	-104.7	0	0	0	111.5	C139 G146 L147	C139-F143 WeakPolarHBondContact O-CB 3.47Å; C139-F143 PolarHBondContact O-N 2.91Å; F143-G146 PolarHBondContact O-N 3.35Å; F143-L147 HydrophobicContact CD1-CD1 3.83Å; F143-L147 HydrophobicContact CD1-CG 4.38Å; F143-L147 HydrophobicContact CE1-CD1 3.36Å; F143-L147 HydrophobicContact CE1-CG 4.07Å; F143-L147 HydrophobicContact CZ-CD1 3.89Å; F143-L147 HydrophobicContact CZ-CD2 4.41Å; F143-L147 HydrophobicContact CZ-CG 4.23Å; F143-L147 PolarHBondContact O-N 3.09Å
144	C	44.9	Very low	45	Very low	10 Å²	10	54.7 Å²	54.7	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-44.4	173.8	-78.9	0	0	0	0	112.4	C28 N140 A141 M142 G146 L147 L148	C28-C144 HydrophobicContact CB-CB 3.97Å; C28-C144 WeakPolarHBondContact CB-O 3.24Å; C28-C144 WeakPolarHBondContact SG-CA 3.4Å; C28-C144 WeakPolarHBondContact SG-CB 3.27Å; C28-C144 PolarHBondContact SG-O 2.92Å; N140-C144 WeakPolarHBondContact O-CB 3.21Å; N140-C144 PolarHBondContact O-N 2.91Å; N140-C144 PolarHBondContact O-SG 3.41Å; A141-C144 VanDerWaalsContact O-CB 3.29Å; A141-C144 WeakPolarHBondContact O-CB 3.11Å; A141-C144 PolarHBondContact O-N 2.94Å; M142-C144 VanDerWaalsContact C-N 3.3Å; C144-G146 VanDerWaalsContact C-N 3.32Å; C144-G146 PolarHBondContact O-N 3.17Å; C144-L147 PolarHBondContact O-N 3.04Å; C144-L148 PolarHBondContact O-N 3.37Å; C144-L148 VanDerWaalsContact O-N 3.13Å
145	C	50.7	Low	45.5	Very low	1 Å²	1	50.2 Å²	50.2	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-57.1	-45.6	173.2	-60.3	0	0	0	0	112.3	Y31 L80 A141 M142 L148 L149	Y31-C145 WeakPolarHBondContact CB-SG 3.27Å; L80-C145 HydrophobicContact CD2-CB 4.21Å; A141-C145 PolarHBondContact O-N 3.3Å; A141-C145 PolarHBondContact O-SG 3.33Å; M142-C145 WeakPolarHBondContact O-CB 3.29Å; M142-C145 PolarHBondContact O-N 3.29Å; C145-L148 PolarHBondContact O-N 3.37Å; C145-L149 WeakPolarHBondContact O-CD1 3.34Å; C145-L149 WeakPolarHBondContact O-CG 3.09Å; C145-L149 PolarHBondContact O-N 3.12Å; C145-L149 VanDerWaalsContact O-N 3.13Å
146	G	52.6	Low	45.9	Very low	4 Å²	4	49.6 Å²	49.6	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-47.7	178.5	0	0	0	0	0	112.1	M142 F143 C144 L148 L150	M142-G146 PolarHBondContact O-N 2.98Å; M142-G146 VanDerWaalsContact O-N 3.12Å; F143-G146 PolarHBondContact O-N 3.35Å; C144-G146 VanDerWaalsContact C-N 3.32Å; C144-G146 PolarHBondContact O-N 3.17Å; G146-L148 VanDerWaalsContact C-N 3.28Å; G146-L148 PolarHBondContact O-N 3.14Å; G146-L150 WeakPolarHBondContact O-CB 3.41Å; G146-L150 PolarHBondContact O-N 3.34Å; G146-L150 VanDerWaalsContact O-N 3.13Å
147	L	49.3	Very low	46.2	Very low	62 Å²	62	46.1 Å²	46.1	33%	0.325	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-30.9	179.5	-75.3	-179.8	0	0	0	113.7	L96 F143 C144 L150 D151	L96-L147 HydrophobicContact CD1-CD2 4.15Å; F143-L147 HydrophobicContact CD1-CD1 3.83Å; F143-L147 HydrophobicContact CD1-CG 4.38Å; F143-L147 HydrophobicContact CE1-CD1 3.36Å; F143-L147 HydrophobicContact CE1-CG 4.07Å; F143-L147 HydrophobicContact CZ-CD1 3.89Å; F143-L147 HydrophobicContact CZ-CD2 4.41Å; F143-L147 HydrophobicContact CZ-CG 4.23Å; F143-L147 PolarHBondContact O-N 3.09Å; C144-L147 PolarHBondContact O-N 3.04Å; L147-L150 HydrophobicContact CD2-CD2 4.15Å; L147-L150 WeakPolarHBondContact O-CB 3.12Å; L147-D151 PolarHBondContact O-N 3.18Å
148	L	51	Low	46.5	Very low	5 Å²	5	48.7 Å²	48.7	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-82.7	-37.8	-179.7	-115.9	-170.8	0	0	0	114.9	C28 L29 V32 C144 C145 G146 L150 D151 L152	C28-L148 HydrophobicContact CB-CB 3.81Å; C28-L148 HydrophobicContact CB-CD1 3.09Å; C28-L148 HydrophobicContact CB-CG 3.32Å; C28-L148 VanDerWaalsContact O-CD1 3.24Å; C28-L148 WeakPolarHBondContact O-CD1 3.46Å; L29-L148 HydrophobicContact CB-CD1 3.91Å; L29-L148 HydrophobicContact CD2-CD1 3.65Å; L29-L148 HydrophobicContact CD2-CD2 3.65Å; L29-L148 HydrophobicContact CD2-CG 4.37Å; L29-L148 HydrophobicContact CG-CD1 3.62Å; L29-L148 HydrophobicContact CG-CD2 4.07Å; L29-L148 HydrophobicContact CG-CG 4.45Å; V32-L148 HydrophobicContact CB-CD1 4.47Å; V32-L148 HydrophobicContact CG2-CB 3.84Å; V32-L148 HydrophobicContact CG2-CD1 3.87Å; C144-L148 PolarHBondContact O-N 3.37Å; C144-L148 VanDerWaalsContact O-N 3.13Å; C145-L148 PolarHBondContact O-N 3.37Å; G146-L148 VanDerWaalsContact C-N 3.28Å; G146-L148 PolarHBondContact O-N 3.14Å; L148-L150 PolarHBondContact O-N 3.01Å; L148-D151 HydrophobicContact CD2-CB 4.38Å; L148-D151 PolarHBondContact O-N 3.21Å; L148-L152 WeakPolarHBondContact O-CB 3.28Å; L148-L152 PolarHBondContact O-N 3.49Å
149	L	54.6	Low	46.5	Very low	28 Å²	28	53.1 Å²	53.1	15%	0.147	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-32.8	173.1	-69.3	165.9	0	0	0	109.8	V32 L84 C145 K153	V32-L149 HydrophobicContact CG1-CD2 4.15Å; V32-L149 HydrophobicContact CG2-CD2 4.26Å; V32-L149 HydrophobicContact CG2-CG 4.1Å; L84-L149 HydrophobicContact CD1-CD1 3.72Å; L84-L149 HydrophobicContact CD2-CB 3.6Å; L84-L149 HydrophobicContact CD2-CD1 3.58Å; L84-L149 HydrophobicContact CD2-CG 4.09Å; L84-L149 HydrophobicContact CG-CD1 4.18Å; C145-L149 WeakPolarHBondContact O-CD1 3.34Å; C145-L149 WeakPolarHBondContact O-CG 3.09Å; C145-L149 PolarHBondContact O-N 3.12Å; C145-L149 VanDerWaalsContact O-N 3.13Å; L149-K153 WeakPolarHBondContact O-CB 3.48Å; L149-K153 PolarHBondContact O-N 2.89Å
150	L	50.2	Low	46.7	Very low	7 Å²	7	54.9 Å²	54.9	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-44.3	172.2	-170.4	74.7	0	0	0	112.5	M87 F92 L96 G146 L147 L148 K153 L154	M87-L150 HydrophobicContact CE-CD1 3.78Å; M87-L150 HydrophobicContact SD-CD1 4.02Å; F92-L150 HydrophobicContact CD1-CD1 4.41Å; F92-L150 HydrophobicContact CD2-CD1 3.23Å; F92-L150 HydrophobicContact CD2-CG 3.81Å; F92-L150 HydrophobicContact CE1-CD1 4.22Å; F92-L150 HydrophobicContact CE1-CD2 3.87Å; F92-L150 HydrophobicContact CE1-CG 4.17Å; F92-L150 HydrophobicContact CE2-CB 4.3Å; F92-L150 HydrophobicContact CE2-CD1 3.05Å; F92-L150 HydrophobicContact CE2-CD2 3.66Å; F92-L150 HydrophobicContact CE2-CG 3.02Å; F92-L150 HydrophobicContact CG-CD1 3.96Å; F92-L150 HydrophobicContact CZ-CD1 3.57Å; F92-L150 HydrophobicContact CZ-CD2 3.24Å; F92-L150 HydrophobicContact CZ-CG 3.22Å; L96-L150 HydrophobicContact CD1-CD2 4.02Å; G146-L150 WeakPolarHBondContact O-CB 3.41Å; G146-L150 PolarHBondContact O-N 3.34Å; G146-L150 VanDerWaalsContact O-N 3.13Å; L147-L150 HydrophobicContact CD2-CD2 4.15Å; L147-L150 WeakPolarHBondContact O-CB 3.12Å; L148-L150 PolarHBondContact O-N 3.01Å; L150-K153 PolarHBondContact O-N 3.28Å; L150-L154 WeakPolarHBondContact O-CG 3.24Å; L150-L154 PolarHBondContact O-N 3.27Å
151	D	49.9	Very low	46.6	Very low	48 Å²	48	52.5 Å²	52.5	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-43.5	173.7	178.5	61.6	0	0	0	112.9	L147 L148 K153 L154 K155	L147-D151 PolarHBondContact O-N 3.18Å; L148-D151 HydrophobicContact CD2-CB 4.38Å; L148-D151 PolarHBondContact O-N 3.21Å; D151-K153 VanDerWaalsContact C-N 3.28Å; D151-K153 PolarHBondContact O-N 2.94Å; D151-L154 PolarHBondContact O-N 2.9Å; D151-K155 WeakPolarHBondContact O-CG 3.48Å; D151-K155 PolarHBondContact O-N 3.5Å; D151-K155 VanDerWaalsContact OD1-CE 3.29Å; D151-K155 WeakPolarHBondContact OD1-CE 3.29Å; D151-K155 IonicContact OD1-NZ 3.47Å; D151-K155 PolarHBondContact OD1-NZ 3.39Å; D151-K155 VanDerWaalsContact OD2-CE 3.29Å; D151-K155 WeakPolarHBondContact OD2-CE 3.43Å; D151-K155 IonicContact OD2-NZ 3.46Å; D151-K155 PolarHBondContact OD2-NZ 2.92Å
152	L	50.8	Low	46.3	Very low	63 Å²	63	55.3 Å²	55.3	33%	0.33	30%	0.301	S	S	.	.	H	α-helix	trans	-57.4	-41.9	173	-91.8	152.8	0	0	0	111.5	V32 L148 M156	V32-L152 HydrophobicContact CG1-CD1 4.29Å; L148-L152 WeakPolarHBondContact O-CB 3.28Å; L148-L152 PolarHBondContact O-N 3.49Å; L152-M156 HydrophobicContact CB-CE 4.21Å; L152-M156 HydrophobicContact CD2-CE 4.29Å; L152-M156 WeakPolarHBondContact O-CB 3.2Å; L152-M156 VanDerWaalsContact O-CE 3.26Å; L152-M156 WeakPolarHBondContact O-CE 3.3Å; L152-M156 WeakPolarHBondContact O-CG 3.15Å; L152-M156 PolarHBondContact O-N 3.16Å; L152-M156 VanDerWaalsContact O-N 3.09Å
153	K	50.5	Low	45.8	Very low	60 Å²	60	62.7 Å²	62.7	26%	0.261	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-43.8	176.4	-174.6	169.1	-177.5	163.2	0	112.1	M87 L149 L150 D151 M156 S157	M87-K153 PolarHBondContact O-NZ 2.84Å; L149-K153 WeakPolarHBondContact O-CB 3.48Å; L149-K153 PolarHBondContact O-N 2.89Å; L150-K153 PolarHBondContact O-N 3.28Å; D151-K153 VanDerWaalsContact C-N 3.28Å; D151-K153 PolarHBondContact O-N 2.94Å; K153-M156 PolarHBondContact O-N 3.28Å; K153-S157 WeakPolarHBondContact O-CB 3.44Å; K153-S157 PolarHBondContact O-N 2.91Å; K153-S157 PolarHBondContact O-OG 3.49Å
154	L	45.5	Very low	45.5	Very low	78 Å²	78	66.4 Å²	66.4	41%	0.408	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-48.5	177	-73.9	173.4	0	0	0	111.7	F92 L150 D151 M156 S157 D158	F92-L154 HydrophobicContact CD2-CD1 4.33Å; F92-L154 HydrophobicContact CD2-CD2 3.89Å; F92-L154 HydrophobicContact CD2-CG 4.08Å; F92-L154 HydrophobicContact CE2-CD1 3.35Å; F92-L154 HydrophobicContact CE2-CD2 3.74Å; F92-L154 HydrophobicContact CE2-CG 3.48Å; F92-L154 VanDerWaalsContact CE2-CG 3.48Å; F92-L154 HydrophobicContact CZ-CD1 3.62Å; F92-L154 HydrophobicContact CZ-CG 4.27Å; L150-L154 WeakPolarHBondContact O-CG 3.24Å; L150-L154 PolarHBondContact O-N 3.27Å; D151-L154 PolarHBondContact O-N 2.9Å; L154-M156 VanDerWaalsContact C-N 3.27Å; L154-M156 PolarHBondContact O-N 3.26Å; L154-S157 PolarHBondContact O-N 3.43Å; L154-S157 VanDerWaalsContact O-N 3.11Å; L154-D158 PolarHBondContact O-N 2.96Å; L154-D158 VanDerWaalsContact O-N 3.1Å
155	K	46.5	Very low	44.9	Very low	109 Å²	109	73 Å²	73	47%	0.474	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-36.5	178.3	-73.7	172.4	177.7	163.7	0	112.3	D151 H159	D151-K155 WeakPolarHBondContact O-CG 3.48Å; D151-K155 PolarHBondContact O-N 3.5Å; D151-K155 VanDerWaalsContact OD1-CE 3.29Å; D151-K155 WeakPolarHBondContact OD1-CE 3.29Å; D151-K155 IonicContact OD1-NZ 3.47Å; D151-K155 PolarHBondContact OD1-NZ 3.39Å; D151-K155 VanDerWaalsContact OD2-CE 3.29Å; D151-K155 WeakPolarHBondContact OD2-CE 3.43Å; D151-K155 IonicContact OD2-NZ 3.46Å; D151-K155 PolarHBondContact OD2-NZ 2.92Å; K155-H159 PolarHBondContact O-CD2 2.87Å
156	M	43.2	Very low	44	Very low	79 Å²	79	78.7 Å²	78.7	39%	0.389	42%	0.422	S	S	.	.	H	α-helix	trans	-78.7	-28.7	176	-72	-170.5	-81.6	0	0	113.8	L53 L152 K153 L154 H159 S160	L53-M156 HydrophobicContact CD1-CE 3.7Å; L53-M156 HydrophobicContact CD2-CE 3.39Å; L53-M156 HydrophobicContact CD2-SD 4.19Å; L53-M156 HydrophobicContact CG-CE 4.04Å; L152-M156 HydrophobicContact CB-CE 4.21Å; L152-M156 HydrophobicContact CD2-CE 4.29Å; L152-M156 WeakPolarHBondContact O-CB 3.2Å; L152-M156 VanDerWaalsContact O-CE 3.26Å; L152-M156 WeakPolarHBondContact O-CE 3.3Å; L152-M156 WeakPolarHBondContact O-CG 3.15Å; L152-M156 PolarHBondContact O-N 3.16Å; L152-M156 VanDerWaalsContact O-N 3.09Å; K153-M156 PolarHBondContact O-N 3.28Å; L154-M156 VanDerWaalsContact C-N 3.27Å; L154-M156 PolarHBondContact O-N 3.26Å; M156-H159 PolarHBondContact O-N 2.84Å; M156-S160 PolarHBondContact O-N 2.85Å
157	S	45.6	Very low	43.2	Very low	52 Å²	52	87 Å²	87	36%	0.364	46%	0.457	S	S	.	.	H	α-helix	trans	-70.8	-32.1	177.1	-55.2	0	0	0	0	112.3	K153 L154 H159 S160 S161	K153-S157 WeakPolarHBondContact O-CB 3.44Å; K153-S157 PolarHBondContact O-N 2.91Å; K153-S157 PolarHBondContact O-OG 3.49Å; L154-S157 PolarHBondContact O-N 3.43Å; L154-S157 VanDerWaalsContact O-N 3.11Å; S157-H159 PolarHBondContact O-N 2.97Å; S157-S160 PolarHBondContact O-N 2.66Å; S157-S161 PolarHBondContact O-N 3.48Å; S157-S161 PolarHBondContact O-OG 3.27Å
158	D	45.7	Very low	42.4	Very low	115 Å²	115	90.2 Å²	90.2	62%	0.615	48%	0.481	S	S	*	.	H	α-helix	trans	-68.9	-21.8	173.1	-81.4	-22.9	0	0	0	112.8	L154	L154-D158 PolarHBondContact O-N 2.96Å; L154-D158 VanDerWaalsContact O-N 3.1Å
159	H	39.6	Very low	41.5	Very low	139 Å²	139	95.2 Å²	95.2	64%	0.644	52%	0.517	S	S	*	.	H	α-helix	trans	-86.1	-19.3	175.9	-69.6	-52.1	0	0	0	114.3	K155 M156 S157	K155-H159 PolarHBondContact O-CD2 2.87Å; M156-H159 PolarHBondContact O-N 2.84Å; S157-H159 PolarHBondContact O-N 2.97Å
160	S	39.9	Very low	41.1	Very low	80 Å²	80	103.1 Å²	103.1	56%	0.559	55%	0.55	S	S	*	*	H	α-helix	trans	-79.3	-31.2	171.4	168.6	0	0	0	0	112.5	M156 S157	M156-S160 PolarHBondContact O-N 2.85Å; S157-S160 PolarHBondContact O-N 2.66Å
161	S	36.7	Very low	40.7	Very low	64 Å²	64	117.5 Å²	117.5	45%	0.448	61%	0.606	S	S	.	*	H	α-helix	trans	-77	-27.6	179.7	-48.2	0	0	0	0	113	S157 Q163	S157-S161 PolarHBondContact O-N 3.48Å; S157-S161 PolarHBondContact O-OG 3.27Å; S161-Q163 PolarHBondContact O-N 3.08Å
162	A	33.7	Very low	40.2	Very low	58 Å²	58	121 Å²	121	48%	0.479	62%	0.623	S	S	.	*	H	α-helix	trans	-74.9	-21.4	-177.8	0	0	0	0	0	114
163	Q	36.5	Very low	39.7	Very low	168 Å²	168	124 Å²	124	79%	0.785	64%	0.639	S	S	*	*	H	α-helix	trans	-95.9	-12.6	-180	-70.8	-173.6	-8.5	0	0	114.3	S161	S161-Q163 PolarHBondContact O-N 3.08Å
164	Q	38	Very low	39.1	Very low	165 Å²	165	127.6 Å²	127.6	77%	0.771	66%	0.66	S	S	*	*	H	α-helix	trans	-89.8	-10.2	172.2	-74	-171.6	-1.9	0	0	114.1
165	L	32.4	Very low	38.7	Very low	149 Å²	149	130.5 Å²	130.5	78%	0.78	68%	0.675	S	S	*	*	S	Bend	trans	-88.3	-4	175.5	-88.8	154	0	0	0	114.1	K167	L165-K167 VanDerWaalsContact C-N 3.28Å; L165-K167 PolarHBondContact O-N 3.3Å
166	V	32.5	Very low	38.2	Very low	119 Å²	119	131.8 Å²	131.8	72%	0.721	69%	0.687	S	S	*	*			trans	-93	59.5	170.3	-164.7	0	0	0	0	109.8
167	K	34.6	Very low	37.9	Very low	180 Å²	180	135.3 Å²	135.3	78%	0.783	71%	0.707	S	S	*	*			trans	-78	123.9	153.5	-86.2	-175.4	178.1	177	0	107	L165 S169	L165-K167 VanDerWaalsContact C-N 3.28Å; L165-K167 PolarHBondContact O-N 3.3Å; K167-S169 VanDerWaalsContact C-N 3.27Å; K167-S169 PolarHBondContact O-N 3.13Å
168	P	33	Very low	37.3	Very low	128 Å²	128	141.3 Å²	141.3	83%	0.831	73%	0.731	S	S	*	*			trans	-66.3	94.5	166.1	27.2	-29.6	0	0	0	107.6	K170	P168-K170 PolarHBondContact O-N 2.71Å
169	S	32.7	Very low	36.7	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	74%	0.74	S	S	*	*			trans	-69.8	108.8	162.9	177.2	0	0	0	0	107.4	K167	K167-S169 VanDerWaalsContact C-N 3.27Å; K167-S169 PolarHBondContact O-N 3.13Å
170	K	46.4	Very low	36.4	Very low	195 Å²	195	143.7 Å²	143.7	85%	0.848	75%	0.749	S	S	*	*			trans	-178	88.7	145.9	-98.6	165.1	-170.8	-171	0	110.6	P168	P168-K170 PolarHBondContact O-N 2.71Å
171	Y	41.2	Very low	36.1	Very low	308 Å²	308	149.5 Å²	149.5	100%	1.208	77%	0.766	S	S	*	*				-96.7	0	120	-87.7	-81	0	0	0	106.9

Retrieved 171 of 171 residues in 318.1 ms (Link to these results)

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