A0A5K4FE23_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FE23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.4	Low	54.7	Low	219 Å²	219	138.7 Å²	138.7	100%	1.079	66%	0.66	S	S	*	*				0	-21.8	0	-115.5	174.8	168.3	0	0	114.6
2	F	49.9	Very low	55.2	Low	172 Å²	172	136 Å²	136	75%	0.754	65%	0.646	S	S	*	*	H	α-helix	trans	-72.9	-32.4	-179.5	-97.4	-92.8	0	0	0	115.6	V4 I5	F2-V4 VanDerWaalsContact C-N 3.3Å; F2-V4 PolarHBondContact O-N 2.9Å; F2-I5 PolarHBondContact O-N 2.96Å
3	N	53.3	Low	55.9	Low	133 Å²	133	130.9 Å²	130.9	71%	0.711	63%	0.629	S	S	*	*	H	α-helix	trans	-67.3	-25.3	-176.3	-77.2	-23	0	0	0	114.4	Q7	N3-Q7 PolarHBondContact O-N 2.78Å
4	V	54.7	Low	57.2	Low	98 Å²	98	127 Å²	127	59%	0.594	61%	0.613	S	S	*	*	H	α-helix	trans	-74.6	-34.5	-180	-179.6	0	0	0	0	111.4	F2 H8	F2-V4 VanDerWaalsContact C-N 3.3Å; F2-V4 PolarHBondContact O-N 2.9Å; V4-H8 PolarHBondContact O-N 3.47Å
5	I	54.5	Low	58.4	Low	103 Å²	103	125.1 Å²	125.1	53%	0.528	61%	0.607	S	S	.	*	H	α-helix	trans	-71.2	-38.5	-179.3	-60.1	174.8	0	0	0	110.7	F2 H8 H9	F2-I5 PolarHBondContact O-N 2.96Å; I5-H8 PolarHBondContact O-N 3.09Å; I5-H9 PolarHBondContact O-N 3.17Å; I5-H9 VanDerWaalsContact O-N 3.08Å
6	I	54.6	Low	59.8	Low	96 Å²	96	123.6 Å²	123.6	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-68.1	-40	178.6	-60.8	174.1	0	0	0	111.1	H8 H9 H10	I6-H8 VanDerWaalsContact C-N 3.35Å; I6-H8 PolarHBondContact O-N 2.87Å; I6-H9 PolarHBondContact O-N 2.73Å; I6-H10 PolarHBondContact O-N 3.23Å
7	Q	54.3	Low	60.9	Low	142 Å²	142	124.2 Å²	124.2	66%	0.664	60%	0.6	S	S	*	*	H	α-helix	trans	-63.9	-37.4	174.8	-91.6	-174.7	-31.3	0	0	112.9	N3 R11	N3-Q7 PolarHBondContact O-N 2.78Å; Q7-R11 PolarHBondContact O-N 3.34Å; Q7-R11 VanDerWaalsContact O-N 3.17Å
8	H	55.1	Low	62	Low	118 Å²	118	122.7 Å²	122.7	55%	0.546	60%	0.595	S	S	.	*	H	α-helix	trans	-68.3	-41.5	177	-121.7	-81.9	0	0	0	112	V4 I5 I6 R11 H12	V4-H8 PolarHBondContact O-N 3.47Å; I5-H8 PolarHBondContact O-N 3.09Å; I6-H8 VanDerWaalsContact C-N 3.35Å; I6-H8 PolarHBondContact O-N 2.87Å; H8-R11 PolarHBondContact O-N 2.86Å; H8-H12 AromaticContact ND1-CD2 3.9Å; H8-H12 AromaticContact ND1-NE2 3.88Å; H8-H12 PolarHBondContact O-CD2 3.07Å; H8-H12 VanDerWaalsContact O-CD2 3.31Å; H8-H12 PolarHBondContact O-N 3.21Å; H8-H12 VanDerWaalsContact O-N 3.09Å
9	H	56.4	Low	63.1	Low	132 Å²	132	121.9 Å²	121.9	61%	0.611	59%	0.592	S	S	*	*	H	α-helix	trans	-64.1	-40.7	176.2	-96.5	-78.7	0	0	0	112.5	I5 I6 H12 V13	I5-H9 PolarHBondContact O-N 3.17Å; I5-H9 VanDerWaalsContact O-N 3.08Å; I6-H9 PolarHBondContact O-N 2.73Å; H9-H12 PolarHBondContact O-N 2.94Å; H9-V13 WeakPolarHBondContact O-CG2 3.4Å; H9-V13 PolarHBondContact O-N 2.85Å; H9-V13 VanDerWaalsContact O-N 3.1Å
10	H	56.8	Low	64.1	Low	122 Å²	122	121.3 Å²	121.3	57%	0.565	59%	0.591	S	S	*	*	H	α-helix	trans	-61.9	-44.5	175.7	-108	-77.4	0	0	0	112.1	I6 H12 V13 D14	I6-H10 PolarHBondContact O-N 3.23Å; H10-H12 VanDerWaalsContact C-N 3.33Å; H10-H12 PolarHBondContact O-N 3.29Å; H10-V13 PolarHBondContact O-N 3.35Å; H10-D14 PolarHBondContact O-N 3.01Å
11	R	59.2	Low	64.9	Low	191 Å²	191	122.4 Å²	122.4	72%	0.721	59%	0.59	S	S	*	*	H	α-helix	trans	-62.3	-36.7	176.3	-77.1	-159.8	-172.7	-167	5	113.4	Q7 H8 L15	Q7-R11 PolarHBondContact O-N 3.34Å; Q7-R11 VanDerWaalsContact O-N 3.17Å; H8-R11 PolarHBondContact O-N 2.86Å; R11-L15 PolarHBondContact O-N 2.69Å
12	H	60.8	Low	66.3	Low	106 Å²	106	116.3 Å²	116.3	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-67.9	-39.7	176.7	-89	-76.8	0	0	0	112.4	H8 H9 H10 D14 L15 I16	H8-H12 AromaticContact ND1-CD2 3.9Å; H8-H12 AromaticContact ND1-NE2 3.88Å; H8-H12 PolarHBondContact O-CD2 3.07Å; H8-H12 VanDerWaalsContact O-CD2 3.31Å; H8-H12 PolarHBondContact O-N 3.21Å; H8-H12 VanDerWaalsContact O-N 3.09Å; H9-H12 PolarHBondContact O-N 2.94Å; H10-H12 VanDerWaalsContact C-N 3.33Å; H10-H12 PolarHBondContact O-N 3.29Å; H12-D14 VanDerWaalsContact C-N 3.33Å; H12-L15 PolarHBondContact O-N 3.43Å; H12-I16 VanDerWaalsContact O-CG1 3.29Å; H12-I16 WeakPolarHBondContact O-CG1 3.38Å; H12-I16 PolarHBondContact O-N 3.5Å; H12-I16 VanDerWaalsContact O-N 3.08Å
13	V	64.2	Low	67.9	Low	70 Å²	70	116.2 Å²	116.2	42%	0.424	56%	0.557	S	S	.	*	H	α-helix	trans	-65.8	-38.7	177	175.5	0	0	0	0	111	H9 H10 I16 K17	H9-V13 WeakPolarHBondContact O-CG2 3.4Å; H9-V13 PolarHBondContact O-N 2.85Å; H9-V13 VanDerWaalsContact O-N 3.1Å; H10-V13 PolarHBondContact O-N 3.35Å; V13-I16 PolarHBondContact O-N 3.44Å; V13-K17 WeakPolarHBondContact O-CG 3.43Å; V13-K17 PolarHBondContact O-N 3.26Å; V13-K17 VanDerWaalsContact O-N 3.12Å
14	D	73.9	Confident	69.2	Low	76 Å²	76	117.7 Å²	117.7	41%	0.406	55%	0.553	S	S	.	*	H	α-helix	trans	-67.9	-41.2	177.4	-66.7	-30.4	0	0	0	112	H10 H12 I16 K17 I18	H10-D14 PolarHBondContact O-N 3.01Å; H12-D14 VanDerWaalsContact C-N 3.33Å; D14-I16 PolarHBondContact O-N 3.12Å; D14-K17 PolarHBondContact O-N 2.96Å; D14-I18 VanDerWaalsContact O-CG1 3.3Å; D14-I18 WeakPolarHBondContact O-CG1 3.18Å; D14-I18 PolarHBondContact O-N 3.34Å
15	L	75.5	Confident	70.4	Confident	99 Å²	99	117 Å²	117	52%	0.518	55%	0.545	S	S	.	.	H	α-helix	trans	-61.1	-42.8	174.3	-93.1	160.3	0	0	0	112.6	R11 H12 K17 I18 I19	R11-L15 PolarHBondContact O-N 2.69Å; H12-L15 PolarHBondContact O-N 3.43Å; L15-K17 PolarHBondContact O-N 3.49Å; L15-I18 PolarHBondContact O-N 3Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.37Å
16	I	80.2	Confident	71.6	Confident	101 Å²	101	115.2 Å²	115.2	52%	0.518	54%	0.541	S	S	.	.	H	α-helix	trans	-64.1	-41.7	178.3	-67.6	165.6	0	0	0	110.8	H12 V13 D14 I18 I19 L20	H12-I16 VanDerWaalsContact O-CG1 3.29Å; H12-I16 WeakPolarHBondContact O-CG1 3.38Å; H12-I16 PolarHBondContact O-N 3.5Å; H12-I16 VanDerWaalsContact O-N 3.08Å; V13-I16 PolarHBondContact O-N 3.44Å; D14-I16 PolarHBondContact O-N 3.12Å; I16-I18 PolarHBondContact O-N 2.99Å; I16-I19 PolarHBondContact O-N 3.14Å; I16-L20 HydrophobicContact CG2-CD1 4.16Å; I16-L20 WeakPolarHBondContact O-CG 3.35Å; I16-L20 PolarHBondContact O-N 3.31Å
17	K	78.1	Confident	72.5	Confident	133 Å²	133	112.7 Å²	112.7	58%	0.578	53%	0.531	S	S	*	.	H	α-helix	trans	-61.3	-42.8	175.9	-75.9	178.9	179.9	175.5	0	112	V13 D14 L15 L20 Y21	V13-K17 WeakPolarHBondContact O-CG 3.43Å; V13-K17 PolarHBondContact O-N 3.26Å; V13-K17 VanDerWaalsContact O-N 3.12Å; D14-K17 PolarHBondContact O-N 2.96Å; L15-K17 PolarHBondContact O-N 3.49Å; K17-L20 PolarHBondContact O-N 3.3Å; K17-Y21 WeakPolarHBondContact O-CB 3.28Å; K17-Y21 PolarHBondContact O-N 3.19Å
18	I	81.2	Confident	73.1	Confident	98 Å²	98	108.4 Å²	108.4	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-62.1	-44.8	177.2	-67.3	164.5	0	0	0	110.5	D14 L15 I16 L20 Y21 I22	D14-I18 VanDerWaalsContact O-CG1 3.3Å; D14-I18 WeakPolarHBondContact O-CG1 3.18Å; D14-I18 PolarHBondContact O-N 3.34Å; L15-I18 PolarHBondContact O-N 3Å; I16-I18 PolarHBondContact O-N 2.99Å; I18-L20 PolarHBondContact O-N 3.33Å; I18-Y21 PolarHBondContact O-N 3.24Å; I18-I22 HydrophobicContact CG2-CD1 3.78Å; I18-I22 HydrophobicContact CG2-CG1 4.42Å; I18-I22 VanDerWaalsContact O-CG1 3.3Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 3.06Å
19	I	83.9	Confident	73.7	Confident	107 Å²	107	109.7 Å²	109.7	55%	0.549	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-43.4	178.2	-67.4	166.3	0	0	0	111.3	L15 I16 Y21 I22 Y23	L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.37Å; I16-I19 PolarHBondContact O-N 3.14Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; I19-Y21 PolarHBondContact O-N 3.49Å; I19-I22 PolarHBondContact O-N 3.35Å; I19-Y23 WeakPolarHBondContact O-CB 3.43Å; I19-Y23 PolarHBondContact O-N 3.37Å
20	L	81.2	Confident	74.2	Confident	110 Å²	110	108 Å²	108	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-63.5	-38.8	176.3	-73.5	172.7	0	0	0	112.2	I16 K17 I18 Y23 W24	I16-L20 HydrophobicContact CG2-CD1 4.16Å; I16-L20 WeakPolarHBondContact O-CG 3.35Å; I16-L20 PolarHBondContact O-N 3.31Å; K17-L20 PolarHBondContact O-N 3.3Å; I18-L20 PolarHBondContact O-N 3.33Å; L20-Y23 PolarHBondContact O-N 2.97Å; L20-W24 WeakPolarHBondContact O-CB 3.48Å; L20-W24 PolarHBondContact O-N 2.73Å
21	Y	81	Confident	74.2	Confident	145 Å²	145	105.6 Å²	105.6	57%	0.569	50%	0.504	S	S	*	.	H	α-helix	trans	-66.8	-43.7	177.3	-165.5	-107	0	0	0	111.7	K17 I18 I19 Y23 W24 I25	K17-Y21 WeakPolarHBondContact O-CB 3.28Å; K17-Y21 PolarHBondContact O-N 3.19Å; I18-Y21 PolarHBondContact O-N 3.24Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; I19-Y21 PolarHBondContact O-N 3.49Å; Y21-Y23 PolarHBondContact O-N 3.4Å; Y21-W24 HydrophobicContact CD2-CE3 4.42Å; Y21-W24 HydrophobicContact CE2-CE3 4.19Å; Y21-W24 HydrophobicContact CE2-CZ3 4.29Å; Y21-W24 PolarHBondContact O-N 3.48Å; Y21-I25 HydrophobicContact CD1-CD1 3.56Å; Y21-I25 HydrophobicContact CD1-CG1 4.42Å; Y21-I25 HydrophobicContact CE1-CD1 3.39Å; Y21-I25 HydrophobicContact CE1-CG1 4.28Å; Y21-I25 HydrophobicContact CG-CD1 4.45Å; Y21-I25 WeakPolarHBondContact O-CG1 3.32Å; Y21-I25 PolarHBondContact O-N 3.21Å
22	I	83.8	Confident	73.7	Confident	91 Å²	91	99.7 Å²	99.7	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-45.1	174.1	-66.8	167.5	0	0	0	110.4	I18 I19 W24 I25 C26	I18-I22 HydrophobicContact CG2-CD1 3.78Å; I18-I22 HydrophobicContact CG2-CG1 4.42Å; I18-I22 VanDerWaalsContact O-CG1 3.3Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 3.06Å; I19-I22 PolarHBondContact O-N 3.35Å; I22-W24 VanDerWaalsContact C-N 3.31Å; I22-W24 PolarHBondContact O-N 2.76Å; I22-I25 PolarHBondContact O-N 2.74Å; I22-C26 WeakPolarHBondContact O-CB 3.49Å; I22-C26 PolarHBondContact O-N 2.98Å; I22-C26 PolarHBondContact O-SG 3Å; I22-C26 VanDerWaalsContact O-SG 3.34Å
23	Y	83	Confident	73.3	Confident	169 Å²	169	98.9 Å²	98.9	66%	0.663	49%	0.489	S	S	*	.	H	α-helix	trans	-60.8	-40.2	176.7	-178.1	-98.5	0	0	0	112.1	I19 L20 Y21 C26 S27	I19-Y23 WeakPolarHBondContact O-CB 3.43Å; I19-Y23 PolarHBondContact O-N 3.37Å; L20-Y23 PolarHBondContact O-N 2.97Å; Y21-Y23 PolarHBondContact O-N 3.4Å; Y23-C26 PolarHBondContact O-N 2.88Å; Y23-S27 VanDerWaalsContact O-CB 3.22Å; Y23-S27 WeakPolarHBondContact O-CB 3.15Å; Y23-S27 PolarHBondContact O-N 3.33Å
24	W	81.7	Confident	72.5	Confident	164 Å²	164	101.7 Å²	101.7	62%	0.621	49%	0.492	S	S	*	.	H	α-helix	trans	-66.1	-41.4	176.8	-172.7	64.3	0	0	0	112.2	L20 Y21 I22 S28	L20-W24 WeakPolarHBondContact O-CB 3.48Å; L20-W24 PolarHBondContact O-N 2.73Å; Y21-W24 HydrophobicContact CD2-CE3 4.42Å; Y21-W24 HydrophobicContact CE2-CE3 4.19Å; Y21-W24 HydrophobicContact CE2-CZ3 4.29Å; Y21-W24 PolarHBondContact O-N 3.48Å; I22-W24 VanDerWaalsContact C-N 3.31Å; I22-W24 PolarHBondContact O-N 2.76Å; W24-S28 VanDerWaalsContact O-CB 3.29Å; W24-S28 WeakPolarHBondContact O-CB 3.39Å; W24-S28 PolarHBondContact O-N 3.05Å; W24-S28 PolarHBondContact O-OG 3.41Å
25	I	80.1	Confident	71.1	Confident	84 Å²	84	105.4 Å²	105.4	43%	0.431	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-49.9	173.1	-68.7	167.1	0	0	0	110.6	Y21 I22 S27 S28 Y29	Y21-I25 HydrophobicContact CD1-CD1 3.56Å; Y21-I25 HydrophobicContact CD1-CG1 4.42Å; Y21-I25 HydrophobicContact CE1-CD1 3.39Å; Y21-I25 HydrophobicContact CE1-CG1 4.28Å; Y21-I25 HydrophobicContact CG-CD1 4.45Å; Y21-I25 WeakPolarHBondContact O-CG1 3.32Å; Y21-I25 PolarHBondContact O-N 3.21Å; I22-I25 PolarHBondContact O-N 2.74Å; I25-S27 PolarHBondContact O-N 2.95Å; I25-S28 PolarHBondContact O-N 3.36Å; I25-Y29 WeakPolarHBondContact O-CB 3.34Å; I25-Y29 PolarHBondContact O-N 3.21Å
26	C	78.4	Confident	69.3	Low	65 Å²	65	103.9 Å²	103.9	44%	0.439	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-42.9	179.8	-71.4	0	0	0	0	112	I22 Y23 Y29 I30	I22-C26 WeakPolarHBondContact O-CB 3.49Å; I22-C26 PolarHBondContact O-N 2.98Å; I22-C26 PolarHBondContact O-SG 3Å; I22-C26 VanDerWaalsContact O-SG 3.34Å; Y23-C26 PolarHBondContact O-N 2.88Å; C26-Y29 PolarHBondContact O-N 3.21Å; C26-I30 VanDerWaalsContact O-CG1 3.29Å; C26-I30 WeakPolarHBondContact O-CG1 3.4Å; C26-I30 PolarHBondContact O-N 3.4Å
27	S	74.5	Confident	67.5	Low	43 Å²	43	102.8 Å²	102.8	30%	0.301	49%	0.492	S	S	.	.	H	α-helix	trans	-63.8	-42.6	176.4	-174.3	0	0	0	0	111.4	Y23 I25 Y29 I30 N31	Y23-S27 VanDerWaalsContact O-CB 3.22Å; Y23-S27 WeakPolarHBondContact O-CB 3.15Å; Y23-S27 PolarHBondContact O-N 3.33Å; I25-S27 PolarHBondContact O-N 2.95Å; S27-Y29 VanDerWaalsContact C-N 3.34Å; S27-Y29 PolarHBondContact O-N 3.16Å; S27-I30 PolarHBondContact O-N 3.12Å; S27-N31 WeakPolarHBondContact O-CB 3.44Å; S27-N31 VanDerWaalsContact O-CG 3.31Å; S27-N31 PolarHBondContact O-N 2.94Å; S27-N31 PolarHBondContact O-ND2 3.07Å
28	S	66.7	Low	65.7	Low	52 Å²	52	101.1 Å²	101.1	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-63.3	-40.7	175.6	-58.9	0	0	0	0	111.6	W24 I25 N31 C32	W24-S28 VanDerWaalsContact O-CB 3.29Å; W24-S28 WeakPolarHBondContact O-CB 3.39Å; W24-S28 PolarHBondContact O-N 3.05Å; W24-S28 PolarHBondContact O-OG 3.41Å; I25-S28 PolarHBondContact O-N 3.36Å; S28-N31 PolarHBondContact O-N 2.81Å; S28-C32 VanDerWaalsContact O-CB 3.26Å; S28-C32 WeakPolarHBondContact O-CB 3.4Å; S28-C32 PolarHBondContact O-N 3.32Å
29	Y	68.1	Low	63.7	Low	145 Å²	145	102.8 Å²	102.8	57%	0.569	49%	0.493	S	S	*	.	H	α-helix	trans	-65.4	-44.3	177	-168.9	-95.9	0	0	0	112.5	I25 C26 S27 N31 C32 M33	I25-Y29 WeakPolarHBondContact O-CB 3.34Å; I25-Y29 PolarHBondContact O-N 3.21Å; C26-Y29 PolarHBondContact O-N 3.21Å; S27-Y29 VanDerWaalsContact C-N 3.34Å; S27-Y29 PolarHBondContact O-N 3.16Å; Y29-N31 VanDerWaalsContact C-N 3.35Å; Y29-N31 PolarHBondContact O-N 3.31Å; Y29-C32 WeakPolarHBondContact O-CB 3.4Å; Y29-C32 PolarHBondContact O-N 3.49Å; Y29-M33 HydrophobicContact CD1-CG 4.17Å; Y29-M33 HydrophobicContact CE1-CE 3.71Å; Y29-M33 HydrophobicContact CE1-CG 3.91Å; Y29-M33 HydrophobicContact CE2-CE 4.43Å; Y29-M33 WeakPolarHBondContact O-CB 3.26Å; Y29-M33 WeakPolarHBondContact O-CG 3.35Å; Y29-M33 PolarHBondContact O-N 3.29Å; Y29-M33 WeakPolarHBondContact OH-CE 3.34Å
30	I	66.9	Low	61.6	Low	98 Å²	98	103.7 Å²	103.7	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-41.4	176.6	-67.6	167.3	0	0	0	110.8	C26 S27 M33 R34	C26-I30 VanDerWaalsContact O-CG1 3.29Å; C26-I30 WeakPolarHBondContact O-CG1 3.4Å; C26-I30 PolarHBondContact O-N 3.4Å; S27-I30 PolarHBondContact O-N 3.12Å; I30-M33 PolarHBondContact O-N 3.42Å; I30-R34 PolarHBondContact O-N 2.89Å
31	N	55.7	Low	59.6	Low	70 Å²	70	103.9 Å²	103.9	37%	0.374	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-44.4	175.3	-74.5	-45	0	0	0	111	S27 S28 Y29 M33 R34 Y35	S27-N31 WeakPolarHBondContact O-CB 3.44Å; S27-N31 VanDerWaalsContact O-CG 3.31Å; S27-N31 PolarHBondContact O-N 2.94Å; S27-N31 PolarHBondContact O-ND2 3.07Å; S28-N31 PolarHBondContact O-N 2.81Å; Y29-N31 VanDerWaalsContact C-N 3.35Å; Y29-N31 PolarHBondContact O-N 3.31Å; N31-M33 PolarHBondContact O-N 2.96Å; N31-R34 WeakPolarHBondContact O-CB 3.41Å; N31-R34 PolarHBondContact O-N 3.24Å; N31-Y35 HydrophobicContact CB-CE2 4.34Å; N31-Y35 WeakPolarHBondContact O-CD2 3.3Å; N31-Y35 PolarHBondContact O-N 2.97Å
32	C	49.3	Very low	58	Low	68 Å²	68	101.6 Å²	101.6	46%	0.459	49%	0.494	S	S	.	.	H	α-helix	trans	-58.5	-46.1	175.5	-173.9	0	0	0	0	111.9	S28 Y29 R34 Y35 N36	S28-C32 VanDerWaalsContact O-CB 3.26Å; S28-C32 WeakPolarHBondContact O-CB 3.4Å; S28-C32 PolarHBondContact O-N 3.32Å; Y29-C32 WeakPolarHBondContact O-CB 3.4Å; Y29-C32 PolarHBondContact O-N 3.49Å; C32-R34 PolarHBondContact O-N 3.46Å; C32-Y35 PolarHBondContact O-N 3.41Å; C32-N36 PolarHBondContact O-N 3.42Å
33	M	51.1	Low	56	Low	88 Å²	88	104.8 Å²	104.8	43%	0.433	51%	0.512	S	S	.	.	H	α-helix	trans	-61.1	-41.3	174.9	-77.6	-67.4	-165.9	0	0	112.4	Y29 I30 N31 Y35 N36 T37	Y29-M33 HydrophobicContact CD1-CG 4.17Å; Y29-M33 HydrophobicContact CE1-CE 3.71Å; Y29-M33 HydrophobicContact CE1-CG 3.91Å; Y29-M33 HydrophobicContact CE2-CE 4.43Å; Y29-M33 WeakPolarHBondContact O-CB 3.26Å; Y29-M33 WeakPolarHBondContact O-CG 3.35Å; Y29-M33 PolarHBondContact O-N 3.29Å; Y29-M33 WeakPolarHBondContact OH-CE 3.34Å; I30-M33 PolarHBondContact O-N 3.42Å; N31-M33 PolarHBondContact O-N 2.96Å; M33-Y35 PolarHBondContact O-N 3.41Å; M33-N36 PolarHBondContact O-N 3.19Å; M33-T37 WeakPolarHBondContact O-CG2 3.44Å; M33-T37 PolarHBondContact O-N 3.31Å
34	R	48.3	Very low	54.1	Low	129 Å²	129	103.3 Å²	103.3	49%	0.487	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-43.6	174.3	-95	-175	164.7	138.9	-4	112.2	I30 N31 C32 T37 V38	I30-R34 PolarHBondContact O-N 2.89Å; N31-R34 WeakPolarHBondContact O-CB 3.41Å; N31-R34 PolarHBondContact O-N 3.24Å; C32-R34 PolarHBondContact O-N 3.46Å; R34-T37 PolarHBondContact O-N 3.06Å; R34-T37 PolarHBondContact O-OG1 3.43Å; R34-V38 WeakPolarHBondContact O-CG2 3.48Å; R34-V38 PolarHBondContact O-N 3.41Å
35	Y	43.6	Very low	52	Low	155 Å²	155	100.8 Å²	100.8	61%	0.608	52%	0.523	S	S	*	.	H	α-helix	trans	-64.2	-40.8	175.6	-70.2	-67	0	0	0	111.7	N31 C32 M33 T37 V38 Y39	N31-Y35 HydrophobicContact CB-CE2 4.34Å; N31-Y35 WeakPolarHBondContact O-CD2 3.3Å; N31-Y35 PolarHBondContact O-N 2.97Å; C32-Y35 PolarHBondContact O-N 3.41Å; M33-Y35 PolarHBondContact O-N 3.41Å; Y35-T37 PolarHBondContact O-N 3.16Å; Y35-V38 PolarHBondContact O-N 3.25Å; Y35-Y39 WeakPolarHBondContact O-CD2 3.42Å; Y35-Y39 PolarHBondContact O-N 3.08Å
36	N	39.5	Very low	50.1	Low	67 Å²	67	100 Å²	100	36%	0.358	53%	0.525	S	S	.	.	H	α-helix	trans	-60.5	-44.2	175.1	-87.1	-32.1	0	0	0	112.2	C32 M33 V38 Y39 Q40	C32-N36 PolarHBondContact O-N 3.42Å; M33-N36 PolarHBondContact O-N 3.19Å; N36-V38 PolarHBondContact O-N 3.18Å; N36-Y39 PolarHBondContact O-N 3.07Å; N36-Y39 VanDerWaalsContact O-N 3.09Å; N36-Q40 VanDerWaalsContact O-CB 3.25Å; N36-Q40 WeakPolarHBondContact O-CB 3.24Å; N36-Q40 PolarHBondContact O-N 3.47Å
37	T	40.5	Very low	48.3	Very low	78 Å²	78	103 Å²	103	48%	0.479	54%	0.541	S	S	.	.	H	α-helix	trans	-62.5	-29	177.9	58.5	0	0	0	0	113.3	M33 R34 Y35 N41	M33-T37 WeakPolarHBondContact O-CG2 3.44Å; M33-T37 PolarHBondContact O-N 3.31Å; R34-T37 PolarHBondContact O-N 3.06Å; R34-T37 PolarHBondContact O-OG1 3.43Å; Y35-T37 PolarHBondContact O-N 3.16Å; T37-N41 PolarHBondContact O-ND2 3.4Å
38	V	41.8	Very low	46.7	Very low	97 Å²	97	106 Å²	106	59%	0.588	55%	0.546	S	S	*	.	H	α-helix	trans	-75	-32.2	176.8	176	0	0	0	0	111.6	R34 Y35 N36	R34-V38 WeakPolarHBondContact O-CG2 3.48Å; R34-V38 PolarHBondContact O-N 3.41Å; Y35-V38 PolarHBondContact O-N 3.25Å; N36-V38 PolarHBondContact O-N 3.18Å
39	Y	38.7	Very low	45.5	Very low	134 Å²	134	112.3 Å²	112.3	53%	0.525	57%	0.567	S	S	.	*	H	α-helix	trans	-84.7	-26.6	177	-85.5	-85.3	0	0	0	113.7	Y35 N36 N41 Y125	Y35-Y39 WeakPolarHBondContact O-CD2 3.42Å; Y35-Y39 PolarHBondContact O-N 3.08Å; N36-Y39 PolarHBondContact O-N 3.07Å; N36-Y39 VanDerWaalsContact O-N 3.09Å; Y39-N41 VanDerWaalsContact C-N 3.32Å; Y39-N41 PolarHBondContact O-N 3.13Å; Y39-Y125 HydrophobicContact CD1-CE1 4.38Å; Y39-Y125 HydrophobicContact CE1-CD1 4.05Å; Y39-Y125 AromaticContact CE1-CE1 3.93Å; Y39-Y125 HydrophobicContact CE1-CE1 3.93Å
40	Q	38.9	Very low	44.2	Very low	126 Å²	126	108.1 Å²	108.1	59%	0.589	55%	0.553	S	S	*	*	S	Bend	trans	-86.1	-0.1	-174.7	-144.2	168.8	7.6	0	0	113.7	N36 D42	N36-Q40 VanDerWaalsContact O-CB 3.25Å; N36-Q40 WeakPolarHBondContact O-CB 3.24Å; N36-Q40 PolarHBondContact O-N 3.47Å; Q40-D42 PolarHBondContact O-N 3.3Å
41	N	40.6	Very low	43.2	Very low	114 Å²	114	106.3 Å²	106.3	61%	0.61	55%	0.548	S	S	*	.			trans	-84.8	32.8	174.6	-80.2	-54.1	0	0	0	113.3	T37 Y39 D43 L44	T37-N41 PolarHBondContact O-ND2 3.4Å; Y39-N41 VanDerWaalsContact C-N 3.32Å; Y39-N41 PolarHBondContact O-N 3.13Å; N41-D43 PolarHBondContact O-N 3.17Å; N41-L44 PolarHBondContact O-N 3.01Å
42	D	46.6	Very low	42.9	Very low	96 Å²	96	113.5 Å²	113.5	51%	0.513	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-2.8	175.9	-85	-28.5	0	0	0	113.6	Q40 L44	Q40-D42 PolarHBondContact O-N 3.3Å; D42-L44 PolarHBondContact O-N 2.92Å
43	D	42.9	Very low	42.9	Very low	158 Å²	158	120 Å²	120	85%	0.845	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-5.7	167.6	-80.6	-31	0	0	0	113.3	N41 S45	N41-D43 PolarHBondContact O-N 3.17Å; D43-S45 PolarHBondContact O-N 3.26Å
44	L	41.8	Very low	42.8	Very low	138 Å²	138	119.8 Å²	119.8	72%	0.723	59%	0.594	S	S	*	*			trans	-73.8	86.8	165.5	-141.3	80.6	0	0	0	108.8	N41 D42 S46	N41-L44 PolarHBondContact O-N 3.01Å; D42-L44 PolarHBondContact O-N 2.92Å; L44-S46 PolarHBondContact O-N 2.86Å
45	S	37.9	Very low	43.2	Very low	111 Å²	111	117 Å²	117	78%	0.776	60%	0.595	S	S	*	*			trans	-59.3	53.9	155.9	48.2	0	0	0	0	110.8	D43 V47	D43-S45 PolarHBondContact O-N 3.26Å; S45-V47 VanDerWaalsContact C-N 3.3Å; S45-V47 PolarHBondContact O-N 2.86Å
46	S	40.1	Very low	43.8	Very low	68 Å²	68	117.1 Å²	117.1	48%	0.476	60%	0.603	S	S	.	*			trans	-64.5	102	163.7	71.1	0	0	0	0	105.3	L44 Y48	L44-S46 PolarHBondContact O-N 2.86Å; S46-Y48 VanDerWaalsContact C-N 3.26Å; S46-Y48 PolarHBondContact O-N 2.8Å
47	V	40.1	Very low	44.4	Very low	129 Å²	129	118.5 Å²	118.5	78%	0.782	61%	0.605	S	S	*	*			trans	-45.9	95.6	170.6	175.1	0	0	0	0	107.4	S45 K49	S45-V47 VanDerWaalsContact C-N 3.3Å; S45-V47 PolarHBondContact O-N 2.86Å; V47-K49 PolarHBondContact O-N 3.12Å
48	Y	41.4	Very low	44.9	Very low	104 Å²	104	117.5 Å²	117.5	41%	0.408	60%	0.597	S	S	.	*			trans	-65	103.1	175.4	171.8	-98.1	0	0	0	106	S46 M50 P51	S46-Y48 VanDerWaalsContact C-N 3.26Å; S46-Y48 PolarHBondContact O-N 2.8Å; Y48-M50 VanDerWaalsContact C-N 3.29Å; Y48-M50 HydrophobicContact CD1-CB 4.09Å; Y48-M50 HydrophobicContact CD1-CG 4.43Å; Y48-M50 HydrophobicContact CD1-SD 4.3Å; Y48-M50 HydrophobicContact CE1-CB 3.7Å; Y48-M50 HydrophobicContact CE1-CE 3.64Å; Y48-M50 HydrophobicContact CE1-CG 3.66Å; Y48-M50 HydrophobicContact CE1-SD 3.74Å; Y48-M50 PolarHBondContact O-N 3.02Å; Y48-P51 WeakPolarHBondContact OH-CD 3.45Å
49	K	41.8	Very low	45.6	Very low	186 Å²	186	117.5 Å²	117.5	81%	0.809	59%	0.589	S	S	*	*			trans	-71	95.5	168.2	-82.3	-174.9	178.9	176	0	107	V47 P51	V47-K49 PolarHBondContact O-N 3.12Å; K49-P51 WeakPolarHBondContact O-CD 3.27Å
50	M	41.2	Very low	46.5	Very low	56 Å²	56	113.7 Å²	113.7	28%	0.276	58%	0.579	S	S	.	*			trans	-54.3	121.3	172.2	-155.1	130.5	-143	0	0	108.9	Y48 K52 K59 I62	Y48-M50 VanDerWaalsContact C-N 3.29Å; Y48-M50 HydrophobicContact CD1-CB 4.09Å; Y48-M50 HydrophobicContact CD1-CG 4.43Å; Y48-M50 HydrophobicContact CD1-SD 4.3Å; Y48-M50 HydrophobicContact CE1-CB 3.7Å; Y48-M50 HydrophobicContact CE1-CE 3.64Å; Y48-M50 HydrophobicContact CE1-CG 3.66Å; Y48-M50 HydrophobicContact CE1-SD 3.74Å; Y48-M50 PolarHBondContact O-N 3.02Å; M50-K52 PolarHBondContact O-N 2.9Å; M50-K52 VanDerWaalsContact O-N 3.09Å; M50-K59 HydrophobicContact CE-CB 3.38Å; M50-K59 HydrophobicContact CE-CD 4.26Å; M50-K59 HydrophobicContact CE-CG 3.52Å; M50-K59 HydrophobicContact SD-CB 3.8Å; M50-K59 HydrophobicContact SD-CD 3.51Å; M50-K59 VanDerWaalsContact SD-CD 3.51Å; M50-K59 HydrophobicContact SD-CG 3.43Å; M50-K59 WeakPolarHBondContact SD-CG 3.13Å; M50-I62 HydrophobicContact CE-CD1 4.14Å
51	P	44.4	Very low	47.4	Very low	61 Å²	61	110.5 Å²	110.5	40%	0.396	56%	0.564	S	S	.	*			trans	-60.1	121.5	176.3	-14.7	24.6	0	0	0	107.8	Y48 K49 K53 H54	Y48-P51 WeakPolarHBondContact OH-CD 3.45Å; K49-P51 WeakPolarHBondContact O-CD 3.27Å; P51-K53 PolarHBondContact O-N 2.8Å; P51-H54 PolarHBondContact O-N 3.05Å; P51-H54 VanDerWaalsContact O-N 3.17Å
52	K	50.6	Low	48.3	Very low	220 Å²	220	107.9 Å²	107.9	96%	0.957	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-10.2	-171.7	-69.2	-175.4	176.8	-177.6	0	115	M50	M50-K52 PolarHBondContact O-N 2.9Å; M50-K52 VanDerWaalsContact O-N 3.09Å
53	K	49.1	Very low	49	Very low	206 Å²	206	107.9 Å²	107.9	90%	0.896	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-1.9	-173.5	-113.4	-179.5	177.7	-178.5	0	114.8	P51	P51-K53 PolarHBondContact O-N 2.8Å
54	H	49.9	Very low	49.9	Very low	82 Å²	82	101.1 Å²	101.1	38%	0.38	51%	0.511	S	S	.	.	S	Bend	trans	-82.4	138.5	178.5	-73.6	-67.4	0	0	0	112.2	P51 M56 L58	P51-H54 PolarHBondContact O-N 3.05Å; P51-H54 VanDerWaalsContact O-N 3.17Å; H54-M56 PolarHBondContact O-N 3.39Å; H54-L58 HydrophobicContact CB-CB 4.34Å; H54-L58 HydrophobicContact CB-CD2 3.92Å; H54-L58 VanDerWaalsContact ND1-CD2 3.28Å; H54-L58 WeakPolarHBondContact ND1-CD2 3.4Å
55	S	55.3	Low	51.1	Low	71 Å²	71	99.1 Å²	99.1	50%	0.497	49%	0.494	S	S	.	.			trans	-51.3	137.5	170.4	176.5	0	0	0	0	109.7	K57 L58	S55-K57 PolarHBondContact O-N 3.16Å; S55-K57 WeakPolarHBondContact OG-CB 3.48Å; S55-K57 WeakPolarHBondContact OG-CG 3.29Å; S55-K57 PolarHBondContact OG-N 2.69Å; S55-L58 PolarHBondContact O-N 2.95Å
56	M	57.5	Low	52.5	Low	158 Å²	158	100.6 Å²	100.6	78%	0.778	48%	0.483	S	S	*	.	H	α-helix	trans	-45.1	-30.8	170.1	-169.1	165.8	67.9	0	0	112	H54 L58 K59 V60	H54-M56 PolarHBondContact O-N 3.39Å; M56-L58 PolarHBondContact O-N 2.9Å; M56-K59 WeakPolarHBondContact O-CB 3.37Å; M56-K59 PolarHBondContact O-N 2.89Å; M56-V60 WeakPolarHBondContact O-CG2 3.48Å; M56-V60 PolarHBondContact O-N 2.85Å
57	K	51.2	Low	53.8	Low	95 Å²	95	101.7 Å²	101.7	41%	0.413	48%	0.483	S	S	.	.	H	α-helix	trans	-56.9	-43.4	173.7	-62.2	-177.1	177.5	-172.7	0	113.9	S55 K59 F61 I106 Q107	S55-K57 PolarHBondContact O-N 3.16Å; S55-K57 WeakPolarHBondContact OG-CB 3.48Å; S55-K57 WeakPolarHBondContact OG-CG 3.29Å; S55-K57 PolarHBondContact OG-N 2.69Å; K57-K59 VanDerWaalsContact C-N 3.32Å; K57-F61 WeakPolarHBondContact O-CB 3.43Å; K57-F61 PolarHBondContact O-N 2.76Å; K57-I106 HydrophobicContact CD-CG2 4.31Å; K57-I106 HydrophobicContact CG-CG2 4.26Å; K57-Q107 PolarHBondContact NZ-O 3.34Å
58	L	51.2	Low	55.2	Low	58 Å²	58	95.7 Å²	95.7	30%	0.304	45%	0.447	S	S	.	.	H	α-helix	trans	-70.6	-33.4	179.5	-175.1	65.1	0	0	0	111.2	H54 S55 M56 F61 I62	H54-L58 HydrophobicContact CB-CB 4.34Å; H54-L58 HydrophobicContact CB-CD2 3.92Å; H54-L58 VanDerWaalsContact ND1-CD2 3.28Å; H54-L58 WeakPolarHBondContact ND1-CD2 3.4Å; S55-L58 PolarHBondContact O-N 2.95Å; M56-L58 PolarHBondContact O-N 2.9Å; L58-F61 HydrophobicContact CD1-CD1 4.44Å; L58-F61 PolarHBondContact O-N 2.96Å; L58-I62 HydrophobicContact CD1-CD1 4.34Å; L58-I62 HydrophobicContact CD1-CG1 4.45Å; L58-I62 HydrophobicContact CD2-CD1 4.5Å; L58-I62 HydrophobicContact CG-CD1 3.96Å; L58-I62 HydrophobicContact CG-CG1 4.47Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.34Å; L58-I62 PolarHBondContact O-N 2.83Å
59	K	56.2	Low	56.5	Low	96 Å²	96	91.4 Å²	91.4	42%	0.417	43%	0.432	S	S	.	.	H	α-helix	trans	-61.6	-52	174.4	-179.6	172.4	-174.9	-167.7	0	111.9	M50 M56 K57 F61 I62 E63	M50-K59 HydrophobicContact CE-CB 3.38Å; M50-K59 HydrophobicContact CE-CD 4.26Å; M50-K59 HydrophobicContact CE-CG 3.52Å; M50-K59 HydrophobicContact SD-CB 3.8Å; M50-K59 HydrophobicContact SD-CD 3.51Å; M50-K59 VanDerWaalsContact SD-CD 3.51Å; M50-K59 HydrophobicContact SD-CG 3.43Å; M50-K59 WeakPolarHBondContact SD-CG 3.13Å; M56-K59 WeakPolarHBondContact O-CB 3.37Å; M56-K59 PolarHBondContact O-N 2.89Å; K57-K59 VanDerWaalsContact C-N 3.32Å; K59-F61 VanDerWaalsContact C-N 3.25Å; K59-F61 PolarHBondContact O-N 2.87Å; K59-I62 PolarHBondContact O-N 3.09Å; K59-E63 WeakPolarHBondContact CE-OE1 3.38Å; K59-E63 PolarHBondContact O-N 3.22Å
60	V	57.3	Low	57.7	Low	54 Å²	54	85.7 Å²	85.7	33%	0.327	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-37.6	178.4	-176.6	0	0	0	0	110.6	M56 C64 F97	M56-V60 WeakPolarHBondContact O-CG2 3.48Å; M56-V60 PolarHBondContact O-N 2.85Å; V60-C64 VanDerWaalsContact O-CB 3.26Å; V60-C64 WeakPolarHBondContact O-CB 3.44Å; V60-C64 PolarHBondContact O-N 3.18Å; V60-F97 HydrophobicContact CG1-CE2 4.17Å; V60-F97 HydrophobicContact CG1-CZ 3.78Å
61	F	58.3	Low	58.9	Low	59 Å²	59	89.9 Å²	89.9	26%	0.259	43%	0.43	S	S	.	.	H	α-helix	trans	-64	-43.1	176.1	-178.9	-98.1	0	0	0	113.3	K57 L58 K59 R65 M94	K57-F61 WeakPolarHBondContact O-CB 3.43Å; K57-F61 PolarHBondContact O-N 2.76Å; L58-F61 HydrophobicContact CD1-CD1 4.44Å; L58-F61 PolarHBondContact O-N 2.96Å; K59-F61 VanDerWaalsContact C-N 3.25Å; K59-F61 PolarHBondContact O-N 2.87Å; F61-R65 WeakPolarHBondContact O-CB 3.43Å; F61-R65 PolarHBondContact O-N 3.46Å; F61-M94 HydrophobicContact CE2-CE 3.44Å; F61-M94 VanDerWaalsContact CE2-CE 3.44Å; F61-M94 HydrophobicContact CZ-CE 3.41Å; F61-M94 VanDerWaalsContact CZ-CE 3.41Å
62	I	59.3	Low	59.7	Low	60 Å²	60	87.1 Å²	87.1	31%	0.308	41%	0.411	S	S	.	.	H	α-helix	trans	-67.6	-42.6	178.8	-69.1	168.5	0	0	0	110.8	M50 L58 K59 R65 R66	M50-I62 HydrophobicContact CE-CD1 4.14Å; L58-I62 HydrophobicContact CD1-CD1 4.34Å; L58-I62 HydrophobicContact CD1-CG1 4.45Å; L58-I62 HydrophobicContact CD2-CD1 4.5Å; L58-I62 HydrophobicContact CG-CD1 3.96Å; L58-I62 HydrophobicContact CG-CG1 4.47Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.34Å; L58-I62 PolarHBondContact O-N 2.83Å; K59-I62 PolarHBondContact O-N 3.09Å; I62-R65 PolarHBondContact O-N 3.19Å; I62-R66 PolarHBondContact O-N 3.42Å
63	E	62.6	Low	60.2	Low	96 Å²	96	79.4 Å²	79.4	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-46	176.2	-74.1	176	172.6	0	0	111.2	K59 R65 R66 D67	K59-E63 WeakPolarHBondContact CE-OE1 3.38Å; K59-E63 PolarHBondContact O-N 3.22Å; E63-R65 VanDerWaalsContact C-N 3.35Å; E63-R65 PolarHBondContact O-N 3.21Å; E63-R66 WeakPolarHBondContact O-CB 3.45Å; E63-R66 PolarHBondContact O-N 3.21Å; E63-R66 VanDerWaalsContact O-N 3.12Å; E63-D67 PolarHBondContact O-N 3.47Å
64	C	61.2	Low	60.3	Low	16 Å²	16	76.7 Å²	76.7	11%	0.108	37%	0.371	C	S	.	.	H	α-helix	trans	-61.4	-42.2	175.7	172.7	0	0	0	0	112.5	V60 R66 D67 C68 F97	V60-C64 VanDerWaalsContact O-CB 3.26Å; V60-C64 WeakPolarHBondContact O-CB 3.44Å; V60-C64 PolarHBondContact O-N 3.18Å; C64-R66 VanDerWaalsContact C-N 3.25Å; C64-R66 PolarHBondContact O-N 3.14Å; C64-D67 PolarHBondContact O-N 3.47Å; C64-D67 VanDerWaalsContact O-N 3.16Å; C64-C68 PolarHBondContact O-N 3.34Å; C64-F97 HydrophobicContact CB-CD1 4.19Å; C64-F97 HydrophobicContact CB-CD2 3.74Å; C64-F97 HydrophobicContact CB-CE1 4.07Å; C64-F97 HydrophobicContact CB-CE2 3.58Å; C64-F97 HydrophobicContact CB-CG 4.03Å; C64-F97 HydrophobicContact CB-CZ 3.77Å; C64-F97 WeakPolarHBondContact SG-CB 3.38Å; C64-F97 WeakPolarHBondContact SG-CD2 3.38Å; C64-F97 WeakPolarHBondContact SG-CG 3.14Å
65	R	66.6	Low	60.1	Low	96 Å²	96	74.3 Å²	74.3	36%	0.362	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-37.9	176.5	-177	178.3	175.3	-179.6	0.4	111.3	F61 I62 E63 C68 S69	F61-R65 WeakPolarHBondContact O-CB 3.43Å; F61-R65 PolarHBondContact O-N 3.46Å; I62-R65 PolarHBondContact O-N 3.19Å; E63-R65 VanDerWaalsContact C-N 3.35Å; E63-R65 PolarHBondContact O-N 3.21Å; R65-C68 PolarHBondContact O-N 2.98Å; R65-S69 WeakPolarHBondContact O-CB 3.48Å; R65-S69 PolarHBondContact O-N 3.43Å
66	R	66.9	Low	59.1	Low	142 Å²	142	74.1 Å²	74.1	54%	0.536	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-44.7	174.1	-179.4	178.9	-95.6	156.9	-10.1	110.9	I62 E63 C64 C68 S69 T70	I62-R66 PolarHBondContact O-N 3.42Å; E63-R66 WeakPolarHBondContact O-CB 3.45Å; E63-R66 PolarHBondContact O-N 3.21Å; E63-R66 VanDerWaalsContact O-N 3.12Å; C64-R66 VanDerWaalsContact C-N 3.25Å; C64-R66 PolarHBondContact O-N 3.14Å; R66-C68 PolarHBondContact O-N 2.89Å; R66-S69 CarbonylContact O-C 3.59Å; R66-S69 WeakPolarHBondContact O-CB 3.35Å; R66-S69 PolarHBondContact O-N 3.03Å; R66-S69 VanDerWaalsContact O-N 3.14Å; R66-T70 WeakPolarHBondContact O-CG2 3.43Å; R66-T70 PolarHBondContact O-N 2.85Å; R66-T70 PolarHBondContact O-OG1 3.32Å
67	D	68.3	Low	58	Low	91 Å²	91	74 Å²	74	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-38.2	176.2	-75.9	-4.9	0	0	0	113	E63 C64 S69 T70 K71	E63-D67 PolarHBondContact O-N 3.47Å; C64-D67 PolarHBondContact O-N 3.47Å; C64-D67 VanDerWaalsContact O-N 3.16Å; D67-S69 VanDerWaalsContact C-N 3.35Å; D67-T70 WeakPolarHBondContact CA-OG1 3.32Å; D67-T70 PolarHBondContact O-OG1 2.04Å; D67-K71 VanDerWaalsContact O-CB 3.32Å; D67-K71 WeakPolarHBondContact O-CB 3.43Å; D67-K71 VanDerWaalsContact O-CG 3.23Å; D67-K71 WeakPolarHBondContact O-CG 3.4Å; D67-K71 PolarHBondContact O-N 3.12Å
68	C	69.9	Low	57.3	Low	3 Å²	3	75.6 Å²	75.6	2%	0.02	37%	0.369	C	S	.	.	H	α-helix	trans	-66.1	-40.1	172.4	-75.2	0	0	0	0	111.1	C64 R65 R66 C72 L90 C93	C64-C68 PolarHBondContact O-N 3.34Å; R65-C68 PolarHBondContact O-N 2.98Å; R66-C68 PolarHBondContact O-N 2.89Å; C68-C72 VanDerWaalsContact O-CB 3.22Å; C68-C72 WeakPolarHBondContact O-CB 3.45Å; C68-C72 PolarHBondContact O-N 2.82Å; C68-C72 PolarHBondContact O-SG 3Å; C68-C72 VanDerWaalsContact O-SG 3.38Å; C68-L90 HydrophobicContact CB-CD2 4.38Å; C68-C93 WeakPolarHBondContact CA-SG 3.4Å; C68-C93 HydrophobicContact CB-CB 3.76Å; C68-C93 WeakPolarHBondContact CB-SG 3.43Å; C68-C93 VanDerWaalsContact SG-C 3.57Å; C68-C93 WeakPolarHBondContact SG-CB 3.33Å; C68-C93 CovalentContact SG-SG 2.04Å; C68-C93 PolarHBondContact SG-SG 2.75Å
69	S	67.1	Low	56.3	Low	14 Å²	14	76.1 Å²	76.1	10%	0.098	37%	0.368	C	S	.	.	H	α-helix	trans	-65.2	-41.2	176.5	-163.8	0	0	0	0	111.7	R65 R66 D67 N73 Y125	R65-S69 WeakPolarHBondContact O-CB 3.48Å; R65-S69 PolarHBondContact O-N 3.43Å; R66-S69 CarbonylContact O-C 3.59Å; R66-S69 WeakPolarHBondContact O-CB 3.35Å; R66-S69 PolarHBondContact O-N 3.03Å; R66-S69 VanDerWaalsContact O-N 3.14Å; D67-S69 VanDerWaalsContact C-N 3.35Å; S69-N73 WeakPolarHBondContact O-CA 3.03Å; S69-N73 WeakPolarHBondContact O-CB 3.4Å; S69-N73 PolarHBondContact O-N 3.46Å; S69-N73 PolarHBondContact O-ND2 3.34Å; S69-Y125 PolarHBondContact OG-OH 2.85Å
70	T	66.9	Low	55.5	Low	66 Å²	66	79.6 Å²	79.6	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-69	-42	177.8	54.1	0	0	0	0	111.5	R66 D67 N73 H74	R66-T70 WeakPolarHBondContact O-CG2 3.43Å; R66-T70 PolarHBondContact O-N 2.85Å; R66-T70 PolarHBondContact O-OG1 3.32Å; D67-T70 WeakPolarHBondContact CA-OG1 3.32Å; D67-T70 PolarHBondContact O-OG1 2.04Å; T70-N73 PolarHBondContact O-N 2.73Å; T70-H74 PolarHBondContact O-CD2 3.38Å; T70-H74 PolarHBondContact O-N 2.81Å
71	K	66.5	Low	54.9	Low	144 Å²	144	81.4 Å²	81.4	63%	0.626	41%	0.41	S	S	*	.	H	α-helix	trans	-64.2	-44	175	-72.7	175.7	-178.6	178.8	0	112.4	D67 H74 S75	D67-K71 VanDerWaalsContact O-CB 3.32Å; D67-K71 WeakPolarHBondContact O-CB 3.43Å; D67-K71 VanDerWaalsContact O-CG 3.23Å; D67-K71 WeakPolarHBondContact O-CG 3.4Å; D67-K71 PolarHBondContact O-N 3.12Å; K71-H74 PolarHBondContact O-N 2.78Å; K71-S75 PolarHBondContact O-N 3.01Å
72	C	62.7	Low	54.2	Low	2 Å²	2	82.7 Å²	82.7	1%	0.014	42%	0.42	C	S	.	.	H	α-helix	trans	-77.2	-26	177.4	-66.2	0	0	0	0	112.7	C68 S75 L76 C89 L90	C68-C72 VanDerWaalsContact O-CB 3.22Å; C68-C72 WeakPolarHBondContact O-CB 3.45Å; C68-C72 PolarHBondContact O-N 2.82Å; C68-C72 PolarHBondContact O-SG 3Å; C68-C72 VanDerWaalsContact O-SG 3.38Å; C72-S75 VanDerWaalsContact C-OG 3.3Å; C72-S75 VanDerWaalsContact CA-OG 3.26Å; C72-S75 WeakPolarHBondContact CA-OG 3.1Å; C72-S75 CarbonylContact O-C 3.41Å; C72-S75 PolarHBondContact O-N 3.11Å; C72-S75 PolarHBondContact O-OG 3.06Å; C72-L76 PolarHBondContact O-N 3.05Å; C72-C89 VanDerWaalsContact CA-SG 3.59Å; C72-C89 HydrophobicContact CB-CB 4.03Å; C72-C89 WeakPolarHBondContact CB-SG 3.22Å; C72-C89 WeakPolarHBondContact SG-CB 3.01Å; C72-C89 PolarHBondContact SG-O 3.39Å; C72-C89 CovalentContact SG-SG 2.06Å; C72-C89 PolarHBondContact SG-SG 3.12Å; C72-L90 HydrophobicContact CB-CD2 3.99Å; C72-L90 HydrophobicContact CB-CG 4.15Å
73	N	59.1	Low	53.6	Low	58 Å²	58	88.3 Å²	88.3	31%	0.31	45%	0.445	S	S	.	.	H	α-helix	trans	-68	-35.4	170.6	-80.5	-20.4	0	0	0	111.4	S69 T70 S75 L76 F77	S69-N73 WeakPolarHBondContact O-CA 3.03Å; S69-N73 WeakPolarHBondContact O-CB 3.4Å; S69-N73 PolarHBondContact O-N 3.46Å; S69-N73 PolarHBondContact O-ND2 3.34Å; T70-N73 PolarHBondContact O-N 2.73Å; N73-S75 VanDerWaalsContact C-N 3.32Å; N73-L76 WeakPolarHBondContact O-CA 3.07Å; N73-L76 WeakPolarHBondContact O-CB 3.48Å; N73-L76 PolarHBondContact O-N 2.91Å; N73-L76 VanDerWaalsContact O-N 3.12Å; N73-F77 PolarHBondContact O-N 2.81Å
74	H	52.3	Low	53	Low	150 Å²	150	89.8 Å²	89.8	69%	0.694	46%	0.456	S	S	*	.	H	α-helix	trans	-66.7	-34	169.1	-90.3	-69	0	0	0	112.3	T70 K71 L76	T70-H74 PolarHBondContact O-CD2 3.38Å; T70-H74 PolarHBondContact O-N 2.81Å; K71-H74 PolarHBondContact O-N 2.78Å; H74-L76 VanDerWaalsContact C-N 3.3Å
75	S	45.5	Very low	52.2	Low	31 Å²	31	92.5 Å²	92.5	22%	0.217	47%	0.467	C	S	.	.	H	α-helix	trans	-66.3	-33	168.4	66.9	0	0	0	0	112.1	K71 C72 N73 F77 V78 Y79	K71-S75 PolarHBondContact O-N 3.01Å; C72-S75 VanDerWaalsContact C-OG 3.3Å; C72-S75 VanDerWaalsContact CA-OG 3.26Å; C72-S75 WeakPolarHBondContact CA-OG 3.1Å; C72-S75 CarbonylContact O-C 3.41Å; C72-S75 PolarHBondContact O-N 3.11Å; C72-S75 PolarHBondContact O-OG 3.06Å; N73-S75 VanDerWaalsContact C-N 3.32Å; S75-F77 VanDerWaalsContact C-N 3.25Å; S75-F77 PolarHBondContact O-N 3.22Å; S75-V78 CarbonylContact O-C 3.39Å; S75-V78 WeakPolarHBondContact O-CA 3.23Å; S75-V78 WeakPolarHBondContact O-CB 3.15Å; S75-V78 PolarHBondContact O-N 3.33Å; S75-Y79 VanDerWaalsContact O-CB 3.25Å; S75-Y79 WeakPolarHBondContact O-CB 3.32Å; S75-Y79 WeakPolarHBondContact O-CD2 3.25Å; S75-Y79 PolarHBondContact O-N 2.99Å
76	L	35.1	Very low	51.4	Low	67 Å²	67	89.4 Å²	89.4	35%	0.351	46%	0.46	S	S	.	.	H	α-helix	trans	-58	-33.6	178.8	-143.3	102	0	0	0	112.9	C72 N73 H74 V78 Y79 C86	C72-L76 PolarHBondContact O-N 3.05Å; N73-L76 WeakPolarHBondContact O-CA 3.07Å; N73-L76 WeakPolarHBondContact O-CB 3.48Å; N73-L76 PolarHBondContact O-N 2.91Å; N73-L76 VanDerWaalsContact O-N 3.12Å; H74-L76 VanDerWaalsContact C-N 3.3Å; L76-V78 VanDerWaalsContact C-N 3.28Å; L76-V78 PolarHBondContact O-N 3.35Å; L76-Y79 WeakPolarHBondContact O-CB 3.48Å; L76-Y79 PolarHBondContact O-N 3.48Å; L76-Y79 VanDerWaalsContact O-N 3.1Å; L76-C86 HydrophobicContact CD1-CB 3.97Å; L76-C86 WeakPolarHBondContact CD1-SG 3.31Å
77	F	33.4	Very low	51	Low	155 Å²	155	90.8 Å²	90.8	68%	0.68	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.6	174.3	-92.5	-84.7	0	0	0	113.9	N73 S75	N73-F77 PolarHBondContact O-N 2.81Å; S75-F77 VanDerWaalsContact C-N 3.25Å; S75-F77 PolarHBondContact O-N 3.22Å
78	V	37.8	Very low	50.7	Low	129 Å²	129	89.1 Å²	89.1	78%	0.782	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.8	171.5	-174.5	0	0	0	0	110.8	S75 L76	S75-V78 CarbonylContact O-C 3.39Å; S75-V78 WeakPolarHBondContact O-CA 3.23Å; S75-V78 WeakPolarHBondContact O-CB 3.15Å; S75-V78 PolarHBondContact O-N 3.33Å; L76-V78 VanDerWaalsContact C-N 3.28Å; L76-V78 PolarHBondContact O-N 3.35Å
79	Y	30.1	Very low	50.4	Low	69 Å²	69	90.6 Å²	90.6	27%	0.271	47%	0.472	S	S	.	.			trans	-113.8	6	-156.7	-120	-89.4	0	0	0	118.5	S75 L76 A81 N82 E85	S75-Y79 VanDerWaalsContact O-CB 3.25Å; S75-Y79 WeakPolarHBondContact O-CB 3.32Å; S75-Y79 WeakPolarHBondContact O-CD2 3.25Å; S75-Y79 PolarHBondContact O-N 2.99Å; L76-Y79 WeakPolarHBondContact O-CB 3.48Å; L76-Y79 PolarHBondContact O-N 3.48Å; L76-Y79 VanDerWaalsContact O-N 3.1Å; Y79-A81 PolarHBondContact O-N 3.3Å; Y79-N82 HydrophobicContact CD1-CB 4.42Å; Y79-N82 VanDerWaalsContact CD1-O 3.27Å; Y79-N82 WeakPolarHBondContact CD1-O 3.39Å; Y79-N82 HydrophobicContact CE1-CB 4.04Å; Y79-N82 WeakPolarHBondContact CE1-O 3.28Å; Y79-N82 PolarHBondContact O-N 3.37Å; Y79-E85 HydrophobicContact CD1-CB 4.36Å; Y79-E85 HydrophobicContact CE1-CB 3.21Å; Y79-E85 HydrophobicContact CE1-CG 3.39Å; Y79-E85 WeakPolarHBondContact CE1-OE2 3.1Å; Y79-E85 WeakPolarHBondContact OH-CB 3.34Å; Y79-E85 WeakPolarHBondContact OH-CG 3.3Å; Y79-E85 PolarHBondContact OH-OE1 3.44Å; Y79-E85 VanDerWaalsContact OH-OE1 3.11Å; Y79-E85 PolarHBondContact OH-OE2 3.25Å
80	L	38.9	Very low	50.3	Low	169 Å²	169	92.4 Å²	92.4	89%	0.885	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	12.5	179.4	-79.4	160.6	0	0	0	114.9
81	A	45	Very low	50.3	Low	92 Å²	92	94.8 Å²	94.8	76%	0.76	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-19.3	177	0	0	0	0	0	115.2	Y79	Y79-A81 PolarHBondContact O-N 3.3Å
82	N	42.7	Very low	50.4	Low	86 Å²	86	94.1 Å²	94.1	46%	0.46	49%	0.488	S	S	.	.			trans	-148.5	104.8	-173.5	-100.5	-10.5	0	0	0	112.8	Y79 N84 E85	Y79-N82 HydrophobicContact CD1-CB 4.42Å; Y79-N82 VanDerWaalsContact CD1-O 3.27Å; Y79-N82 WeakPolarHBondContact CD1-O 3.39Å; Y79-N82 HydrophobicContact CE1-CB 4.04Å; Y79-N82 WeakPolarHBondContact CE1-O 3.28Å; Y79-N82 PolarHBondContact O-N 3.37Å; N82-N84 PolarHBondContact O-N 2.95Å; N82-N84 VanDerWaalsContact O-N 3.09Å; N82-E85 HydrophobicContact CB-CG 4.12Å; N82-E85 WeakPolarHBondContact CB-OE2 3.42Å; N82-E85 PolarHBondContact ND2-OE2 2.93Å
83	E	47.9	Very low	50.9	Low	179 Å²	179	95.5 Å²	95.5	84%	0.836	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17	-175.4	-61.4	-179.6	161.8	0	0	114.8
84	N	48.5	Very low	51.4	Low	126 Å²	126	95.6 Å²	95.6	67%	0.674	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-23.9	-169	-65.6	-30.7	0	0	0	114.4	N82	N82-N84 PolarHBondContact O-N 2.95Å; N82-N84 VanDerWaalsContact O-N 3.09Å
85	E	45.7	Very low	52.2	Low	73 Å²	73	90.7 Å²	90.7	34%	0.341	48%	0.48	S	S	.	.	H	α-helix	trans	-99.2	-8.5	-162.4	-27.7	171.8	89	0	0	112.2	Y79 N82 Y87 S88 C89	Y79-E85 HydrophobicContact CD1-CB 4.36Å; Y79-E85 HydrophobicContact CE1-CB 3.21Å; Y79-E85 HydrophobicContact CE1-CG 3.39Å; Y79-E85 WeakPolarHBondContact CE1-OE2 3.1Å; Y79-E85 WeakPolarHBondContact OH-CB 3.34Å; Y79-E85 WeakPolarHBondContact OH-CG 3.3Å; Y79-E85 PolarHBondContact OH-OE1 3.44Å; Y79-E85 VanDerWaalsContact OH-OE1 3.11Å; Y79-E85 PolarHBondContact OH-OE2 3.25Å; N82-E85 HydrophobicContact CB-CG 4.12Å; N82-E85 WeakPolarHBondContact CB-OE2 3.42Å; N82-E85 PolarHBondContact ND2-OE2 2.93Å; E85-Y87 VanDerWaalsContact C-N 3.27Å; E85-Y87 PolarHBondContact O-N 3.49Å; E85-S88 PolarHBondContact O-N 2.87Å; E85-C89 WeakPolarHBondContact O-CB 3.46Å; E85-C89 PolarHBondContact O-N 3.46Å
86	C	49.8	Very low	53.5	Low	32 Å²	32	91.1 Å²	91.1	22%	0.216	49%	0.485	C	S	.	.	H	α-helix	trans	-61.1	-40.4	166.2	179.7	0	0	0	0	110.9	L76 L90	L76-C86 HydrophobicContact CD1-CB 3.97Å; L76-C86 WeakPolarHBondContact CD1-SG 3.31Å; C86-L90 WeakPolarHBondContact O-CG 3.46Å; C86-L90 PolarHBondContact O-N 2.92Å; C86-L90 VanDerWaalsContact O-N 3.16Å
87	Y	57.5	Low	55.1	Low	171 Å²	171	89.9 Å²	89.9	67%	0.671	48%	0.477	S	S	*	.	H	α-helix	trans	-67.4	-41	174.5	-73.3	-76.8	0	0	0	111	E85 L90 I91	E85-Y87 VanDerWaalsContact C-N 3.27Å; E85-Y87 PolarHBondContact O-N 3.49Å; Y87-L90 PolarHBondContact O-N 2.73Å; Y87-I91 WeakPolarHBondContact O-CB 3.5Å; Y87-I91 WeakPolarHBondContact O-CD1 3.11Å; Y87-I91 WeakPolarHBondContact O-CG1 3.26Å; Y87-I91 PolarHBondContact O-N 3.18Å
88	S	62.3	Low	56.7	Low	55 Å²	55	84.7 Å²	84.7	39%	0.385	46%	0.458	S	S	.	.	H	α-helix	trans	-60.7	-48.6	175.3	-55.2	0	0	0	0	112.2	E85 L90 I91 E92	E85-S88 PolarHBondContact O-N 2.87Å; S88-L90 VanDerWaalsContact C-N 3.32Å; S88-L90 PolarHBondContact O-N 2.85Å; S88-I91 PolarHBondContact O-N 3.19Å; S88-E92 WeakPolarHBondContact O-CB 3.21Å; S88-E92 WeakPolarHBondContact O-CG 3.16Å; S88-E92 PolarHBondContact O-N 3.33Å
89	C	63.6	Low	58.3	Low	35 Å²	35	83.8 Å²	83.8	24%	0.236	45%	0.445	C	S	.	.	H	α-helix	trans	-56.4	-45.5	176.9	179.5	0	0	0	0	111.8	C72 E85 C93	C72-C89 VanDerWaalsContact CA-SG 3.59Å; C72-C89 HydrophobicContact CB-CB 4.03Å; C72-C89 WeakPolarHBondContact CB-SG 3.22Å; C72-C89 WeakPolarHBondContact SG-CB 3.01Å; C72-C89 PolarHBondContact SG-O 3.39Å; C72-C89 CovalentContact SG-SG 2.06Å; C72-C89 PolarHBondContact SG-SG 3.12Å; E85-C89 WeakPolarHBondContact O-CB 3.46Å; E85-C89 PolarHBondContact O-N 3.46Å; C89-C93 WeakPolarHBondContact O-CB 2.94Å; C89-C93 PolarHBondContact O-N 3.25Å
90	L	65.1	Low	59.9	Low	52 Å²	52	86.3 Å²	86.3	27%	0.272	46%	0.459	S	S	.	.	H	α-helix	trans	-66.8	-42.6	179.1	-75.6	170.6	0	0	0	111.8	C68 C72 C86 Y87 S88 C93 M94	C68-L90 HydrophobicContact CB-CD2 4.38Å; C72-L90 HydrophobicContact CB-CD2 3.99Å; C72-L90 HydrophobicContact CB-CG 4.15Å; C86-L90 WeakPolarHBondContact O-CG 3.46Å; C86-L90 PolarHBondContact O-N 2.92Å; C86-L90 VanDerWaalsContact O-N 3.16Å; Y87-L90 PolarHBondContact O-N 2.73Å; S88-L90 VanDerWaalsContact C-N 3.32Å; S88-L90 PolarHBondContact O-N 2.85Å; L90-C93 PolarHBondContact O-N 3.46Å; L90-M94 WeakPolarHBondContact O-CB 3.47Å; L90-M94 VanDerWaalsContact O-CG 3.28Å; L90-M94 WeakPolarHBondContact O-CG 3.49Å; L90-M94 PolarHBondContact O-N 2.62Å
91	I	66.2	Low	61.1	Low	115 Å²	115	78.4 Å²	78.4	59%	0.59	42%	0.418	S	S	*	.	H	α-helix	trans	-64	-45.6	177.5	-70.2	164.8	0	0	0	110.3	Y87 S88 M94 S95	Y87-I91 WeakPolarHBondContact O-CB 3.5Å; Y87-I91 WeakPolarHBondContact O-CD1 3.11Å; Y87-I91 WeakPolarHBondContact O-CG1 3.26Å; Y87-I91 PolarHBondContact O-N 3.18Å; S88-I91 PolarHBondContact O-N 3.19Å; I91-M94 PolarHBondContact O-N 2.06Å; I91-S95 VanDerWaalsContact O-CB 3.27Å; I91-S95 WeakPolarHBondContact O-CB 3.39Å; I91-S95 PolarHBondContact O-N 3.45Å; I91-S95 PolarHBondContact O-OG 2.87Å
92	E	69.5	Low	62.1	Low	130 Å²	130	79.2 Å²	79.2	61%	0.607	41%	0.406	S	S	*	.	H	α-helix	trans	-62.2	-47.5	177.4	-76.2	178.5	-169.5	0	0	111.2	S88 M94 S95 A96	S88-E92 WeakPolarHBondContact O-CB 3.21Å; S88-E92 WeakPolarHBondContact O-CG 3.16Å; S88-E92 PolarHBondContact O-N 3.33Å; E92-M94 PolarHBondContact O-N 2.86Å; E92-S95 WeakPolarHBondContact CA-OG 3.29Å; E92-S95 PolarHBondContact O-N 3.2Å; E92-S95 VanDerWaalsContact O-N 3.16Å; E92-S95 PolarHBondContact O-OG 3.16Å; E92-A96 WeakPolarHBondContact O-CB 3.11Å; E92-A96 PolarHBondContact O-N 3.45Å
93	C	73.5	Confident	63.3	Low	32 Å²	32	83.6 Å²	83.6	22%	0.216	42%	0.421	C	S	.	.	H	α-helix	trans	-61.6	-44.4	178.7	-171.4	0	0	0	0	111.9	C68 C89 L90 F97	C68-C93 WeakPolarHBondContact CA-SG 3.4Å; C68-C93 HydrophobicContact CB-CB 3.76Å; C68-C93 WeakPolarHBondContact CB-SG 3.43Å; C68-C93 VanDerWaalsContact SG-C 3.57Å; C68-C93 WeakPolarHBondContact SG-CB 3.33Å; C68-C93 CovalentContact SG-SG 2.04Å; C68-C93 PolarHBondContact SG-SG 2.75Å; C89-C93 WeakPolarHBondContact O-CB 2.94Å; C89-C93 PolarHBondContact O-N 3.25Å; L90-C93 PolarHBondContact O-N 3.46Å; C93-F97 PolarHBondContact O-N 2.97Å
94	M	69.4	Low	64	Low	60 Å²	60	80.1 Å²	80.1	30%	0.296	41%	0.412	S	S	.	.	H	α-helix	trans	-65.7	-38.5	174.9	-72.8	-166	72.2	0	0	111.9	F61 L90 I91 E92 F97 T98	F61-M94 HydrophobicContact CE2-CE 3.44Å; F61-M94 VanDerWaalsContact CE2-CE 3.44Å; F61-M94 HydrophobicContact CZ-CE 3.41Å; F61-M94 VanDerWaalsContact CZ-CE 3.41Å; L90-M94 WeakPolarHBondContact O-CB 3.47Å; L90-M94 VanDerWaalsContact O-CG 3.28Å; L90-M94 WeakPolarHBondContact O-CG 3.49Å; L90-M94 PolarHBondContact O-N 2.62Å; I91-M94 PolarHBondContact O-N 2.06Å; E92-M94 PolarHBondContact O-N 2.86Å; M94-F97 PolarHBondContact O-N 2.95Å; M94-T98 VanDerWaalsContact O-CG2 3.3Å; M94-T98 WeakPolarHBondContact O-CG2 3.27Å; M94-T98 PolarHBondContact O-N 3.47Å
95	S	68.8	Low	64.4	Low	47 Å²	47	76.9 Å²	76.9	33%	0.329	41%	0.409	S	S	.	.	H	α-helix	trans	-65.2	-45.2	177.8	78.5	0	0	0	0	111.6	I91 E92 F97 T98 Q99	I91-S95 VanDerWaalsContact O-CB 3.27Å; I91-S95 WeakPolarHBondContact O-CB 3.39Å; I91-S95 PolarHBondContact O-N 3.45Å; I91-S95 PolarHBondContact O-OG 2.87Å; E92-S95 WeakPolarHBondContact CA-OG 3.29Å; E92-S95 PolarHBondContact O-N 3.2Å; E92-S95 VanDerWaalsContact O-N 3.16Å; E92-S95 PolarHBondContact O-OG 3.16Å; S95-F97 VanDerWaalsContact C-N 3.26Å; S95-F97 PolarHBondContact O-N 3.42Å; S95-T98 WeakPolarHBondContact CA-OG1 3.38Å; S95-T98 PolarHBondContact O-N 2.95Å; S95-T98 VanDerWaalsContact O-N 3.11Å; S95-T98 PolarHBondContact O-OG1 2.86Å; S95-Q99 WeakPolarHBondContact O-CG 3.26Å; S95-Q99 PolarHBondContact O-N 3.29Å
96	A	72.2	Confident	64.9	Low	40 Å²	40	75.8 Å²	75.8	33%	0.331	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-39.1	175.9	0	0	0	0	0	111.2	E92 Q100	E92-A96 WeakPolarHBondContact O-CB 3.11Å; E92-A96 PolarHBondContact O-N 3.45Å; A96-Q100 VanDerWaalsContact O-CG 3.31Å; A96-Q100 WeakPolarHBondContact O-CG 3.38Å; A96-Q100 PolarHBondContact O-N 2.85Å
97	F	69.3	Low	65.2	Low	40 Å²	40	80 Å²	80	18%	0.175	42%	0.421	C	S	.	.	H	α-helix	trans	-66.8	-44.9	173.3	177.8	-101.1	0	0	0	112.7	V60 C64 C93 M94 S95 Q99 Q100 A101	V60-F97 HydrophobicContact CG1-CE2 4.17Å; V60-F97 HydrophobicContact CG1-CZ 3.78Å; C64-F97 HydrophobicContact CB-CD1 4.19Å; C64-F97 HydrophobicContact CB-CD2 3.74Å; C64-F97 HydrophobicContact CB-CE1 4.07Å; C64-F97 HydrophobicContact CB-CE2 3.58Å; C64-F97 HydrophobicContact CB-CG 4.03Å; C64-F97 HydrophobicContact CB-CZ 3.77Å; C64-F97 WeakPolarHBondContact SG-CB 3.38Å; C64-F97 WeakPolarHBondContact SG-CD2 3.38Å; C64-F97 WeakPolarHBondContact SG-CG 3.14Å; C93-F97 PolarHBondContact O-N 2.97Å; M94-F97 PolarHBondContact O-N 2.95Å; S95-F97 VanDerWaalsContact C-N 3.26Å; S95-F97 PolarHBondContact O-N 3.42Å; F97-Q99 VanDerWaalsContact C-N 3.26Å; F97-Q99 PolarHBondContact O-N 3.49Å; F97-Q100 PolarHBondContact O-N 3.46Å; F97-Q100 VanDerWaalsContact O-N 3.12Å; F97-A101 HydrophobicContact CE1-CB 4.41Å; F97-A101 WeakPolarHBondContact O-CB 3.42Å; F97-A101 PolarHBondContact O-N 3.45Å
98	T	67.6	Low	65.2	Low	46 Å²	46	74.2 Å²	74.2	28%	0.282	40%	0.402	S	S	.	.	H	α-helix	trans	-59.7	-39.3	177.2	59.8	0	0	0	0	111.8	M94 S95 A101 E102 I108	M94-T98 VanDerWaalsContact O-CG2 3.3Å; M94-T98 WeakPolarHBondContact O-CG2 3.27Å; M94-T98 PolarHBondContact O-N 3.47Å; S95-T98 WeakPolarHBondContact CA-OG1 3.38Å; S95-T98 PolarHBondContact O-N 2.95Å; S95-T98 VanDerWaalsContact O-N 3.11Å; S95-T98 PolarHBondContact O-OG1 2.86Å; T98-A101 WeakPolarHBondContact O-CB 3.42Å; T98-A101 PolarHBondContact O-N 3.2Å; T98-E102 WeakPolarHBondContact O-CG 3.49Å; T98-E102 PolarHBondContact O-N 2.8Å; T98-I108 HydrophobicContact CG2-CD1 3.52Å
99	Q	70.1	Confident	64.9	Low	111 Å²	111	79.9 Å²	79.9	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-65.5	-40	174.7	-69	176	7.4	0	0	112.3	S95 F97 K103	S95-Q99 WeakPolarHBondContact O-CG 3.26Å; S95-Q99 PolarHBondContact O-N 3.29Å; F97-Q99 VanDerWaalsContact C-N 3.26Å; F97-Q99 PolarHBondContact O-N 3.49Å; Q99-K103 VanDerWaalsContact O-CG 3.32Å; Q99-K103 WeakPolarHBondContact O-CG 3.48Å; Q99-K103 PolarHBondContact O-N 3.44Å
100	Q	65.2	Low	64.2	Low	121 Å²	121	83.6 Å²	83.6	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-65.8	-42.9	174.4	-74	175.7	37.7	0	0	111.5	A96 F97 E102 K103 V104	A96-Q100 VanDerWaalsContact O-CG 3.31Å; A96-Q100 WeakPolarHBondContact O-CG 3.38Å; A96-Q100 PolarHBondContact O-N 2.85Å; F97-Q100 PolarHBondContact O-N 3.46Å; F97-Q100 VanDerWaalsContact O-N 3.12Å; Q100-E102 VanDerWaalsContact C-N 3.33Å; Q100-E102 PolarHBondContact O-N 3.16Å; Q100-K103 WeakPolarHBondContact O-CB 3.25Å; Q100-K103 PolarHBondContact O-N 2.9Å; Q100-V104 WeakPolarHBondContact O-CG2 3.35Å; Q100-V104 PolarHBondContact O-N 3.45Å
101	A	63.5	Low	63.6	Low	3 Å²	3	86.7 Å²	86.7	3%	0.025	45%	0.453	C	S	.	.	H	α-helix	trans	-58.5	-45.7	176.3	0	0	0	0	0	110.9	F97 T98 K103 V104 G105 I106 I108	F97-A101 HydrophobicContact CE1-CB 4.41Å; F97-A101 WeakPolarHBondContact O-CB 3.42Å; F97-A101 PolarHBondContact O-N 3.45Å; T98-A101 WeakPolarHBondContact O-CB 3.42Å; T98-A101 PolarHBondContact O-N 3.2Å; A101-K103 PolarHBondContact O-N 3.24Å; A101-V104 CarbonylContact O-C 3.39Å; A101-V104 VanDerWaalsContact O-CG2 3.24Å; A101-V104 WeakPolarHBondContact O-CG2 3.36Å; A101-V104 PolarHBondContact O-N 3.1Å; A101-G105 PolarHBondContact O-N 3.39Å; A101-I106 CarbonylContact C-O 3.57Å; A101-I106 HydrophobicContact CB-CB 4.04Å; A101-I106 HydrophobicContact CB-CG2 4.32Å; A101-I106 WeakPolarHBondContact O-CA 3.49Å; A101-I106 WeakPolarHBondContact O-CB 3.22Å; A101-I106 PolarHBondContact O-N 2.89Å; A101-I108 HydrophobicContact CB-CD1 4.13Å
102	E	65.1	Low	62.6	Low	109 Å²	109	90.5 Å²	90.5	51%	0.509	47%	0.465	S	S	.	.	H	α-helix	trans	-62.4	-41.9	175.5	-74.3	-177.6	163.8	0	0	112.2	T98 Q100 V104 G105	T98-E102 WeakPolarHBondContact O-CG 3.49Å; T98-E102 PolarHBondContact O-N 2.8Å; Q100-E102 VanDerWaalsContact C-N 3.33Å; Q100-E102 PolarHBondContact O-N 3.16Å; E102-V104 VanDerWaalsContact C-N 3.26Å; E102-V104 PolarHBondContact O-N 3.22Å; E102-G105 PolarHBondContact O-N 3.45Å
103	K	68.6	Low	61.4	Low	178 Å²	178	93 Å²	93	77%	0.774	47%	0.474	S	S	*	.	H	α-helix	trans	-62	-30.3	176	-75.1	175.8	-177.6	-178.8	0	113.5	Q99 Q100 A101 G105	Q99-K103 VanDerWaalsContact O-CG 3.32Å; Q99-K103 WeakPolarHBondContact O-CG 3.48Å; Q99-K103 PolarHBondContact O-N 3.44Å; Q100-K103 WeakPolarHBondContact O-CB 3.25Å; Q100-K103 PolarHBondContact O-N 2.9Å; A101-K103 PolarHBondContact O-N 3.24Å; K103-G105 VanDerWaalsContact C-N 3.34Å
104	V	63.2	Low	60	Low	106 Å²	106	93.8 Å²	93.8	64%	0.642	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	13.2	176	-57.2	0	0	0	0	113.3	Q100 A101 E102 I106	Q100-V104 WeakPolarHBondContact O-CG2 3.35Å; Q100-V104 PolarHBondContact O-N 3.45Å; A101-V104 CarbonylContact O-C 3.39Å; A101-V104 VanDerWaalsContact O-CG2 3.24Å; A101-V104 WeakPolarHBondContact O-CG2 3.36Å; A101-V104 PolarHBondContact O-N 3.1Å; E102-V104 VanDerWaalsContact C-N 3.26Å; E102-V104 PolarHBondContact O-N 3.22Å; V104-I106 HydrophobicContact CG2-CD1 3.69Å; V104-I106 HydrophobicContact CG2-CG1 3.95Å
105	G	55.8	Low	59.1	Low	59 Å²	59	98.3 Å²	98.3	61%	0.608	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	10.7	175.8	0	0	0	0	0	115.2	A101 E102 K103 Q107	A101-G105 PolarHBondContact O-N 3.39Å; E102-G105 PolarHBondContact O-N 3.45Å; K103-G105 VanDerWaalsContact C-N 3.34Å; G105-Q107 PolarHBondContact O-N 2.83Å
106	I	55.6	Low	58.1	Low	49 Å²	49	99.5 Å²	99.5	25%	0.251	51%	0.507	S	S	.	.			trans	-86.8	97	175.5	-59	167.8	0	0	0	108.8	K57 A101 V104 I108	K57-I106 HydrophobicContact CD-CG2 4.31Å; K57-I106 HydrophobicContact CG-CG2 4.26Å; A101-I106 CarbonylContact C-O 3.57Å; A101-I106 HydrophobicContact CB-CB 4.04Å; A101-I106 HydrophobicContact CB-CG2 4.32Å; A101-I106 WeakPolarHBondContact O-CA 3.49Å; A101-I106 WeakPolarHBondContact O-CB 3.22Å; A101-I106 PolarHBondContact O-N 2.89Å; V104-I106 HydrophobicContact CG2-CD1 3.69Å; V104-I106 HydrophobicContact CG2-CG1 3.95Å; I106-I108 PolarHBondContact O-N 2.8Å
107	Q	56.8	Low	56.9	Low	120 Å²	120	102.3 Å²	102.3	56%	0.561	52%	0.523	S	S	*	.			trans	-77.3	118.4	170.4	-61.2	-173.5	49.8	0	0	110	K57 G105 K109	K57-Q107 PolarHBondContact NZ-O 3.34Å; G105-Q107 PolarHBondContact O-N 2.83Å; Q107-K109 VanDerWaalsContact C-N 3.28Å
108	I	58.5	Low	55.9	Low	51 Å²	51	105.7 Å²	105.7	26%	0.262	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-82.7	-9.6	177.3	-60.2	169.7	0	0	0	111.2	T98 A101 I106 D110 I111	T98-I108 HydrophobicContact CG2-CD1 3.52Å; A101-I108 HydrophobicContact CB-CD1 4.13Å; I106-I108 PolarHBondContact O-N 2.8Å; I108-D110 PolarHBondContact O-N 2.85Å; I108-I111 HydrophobicContact CG2-CD1 3.8Å; I108-I111 HydrophobicContact CG2-CG1 4.39Å; I108-I111 PolarHBondContact O-N 2.93Å
109	K	55.8	Low	54.9	Low	173 Å²	173	108.5 Å²	108.5	75%	0.752	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-62.2	-11.1	-177	-62	-178.7	-178.5	177.7	0	114.4	Q107	Q107-K109 VanDerWaalsContact C-N 3.28Å
110	D	48.2	Very low	53.5	Low	114 Å²	114	108.9 Å²	108.9	61%	0.61	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-96.2	6.6	-179.8	-61.9	-37.5	0	0	0	115.1	I108 K112	I108-D110 PolarHBondContact O-N 2.85Å; D110-K112 PolarHBondContact O-N 3.44Å
111	I	52	Low	52.3	Low	117 Å²	117	104.3 Å²	104.3	60%	0.6	54%	0.542	S	S	*	.			trans	-73.3	78	168.5	-52.4	176.5	0	0	0	107.3	I108 K113	I108-I111 HydrophobicContact CG2-CD1 3.8Å; I108-I111 HydrophobicContact CG2-CG1 4.39Å; I108-I111 PolarHBondContact O-N 2.93Å; I111-K113 PolarHBondContact O-N 3.32Å
112	K	45.5	Very low	51.2	Low	194 Å²	194	110.2 Å²	110.2	84%	0.843	57%	0.573	S	S	*	*			trans	-49.3	114.7	164	-85.7	-177.5	176.6	177.6	0	106.2	D110 S114	D110-K112 PolarHBondContact O-N 3.44Å; K112-S114 VanDerWaalsContact C-N 3.26Å; K112-S114 PolarHBondContact O-N 2.91Å
113	K	45.1	Very low	50.4	Low	183 Å²	183	107 Å²	107	80%	0.796	56%	0.562	S	S	*	*			trans	-49.5	96.1	167	-168.2	177.6	-175.7	179.2	0	106.3	I111 N115	I111-K113 PolarHBondContact O-N 3.32Å; K113-N115 PolarHBondContact O-N 2.93Å
114	S	43.6	Very low	49.4	Very low	49 Å²	49	104.3 Å²	104.3	34%	0.343	56%	0.556	S	S	.	*			trans	-62.3	118.3	172.9	57.2	0	0	0	0	104.8	K112 D116	K112-S114 VanDerWaalsContact C-N 3.26Å; K112-S114 PolarHBondContact O-N 2.91Å; S114-D116 PolarHBondContact O-N 3.25Å
115	N	50.3	Low	48.6	Very low	154 Å²	154	103 Å²	103	82%	0.824	54%	0.54	S	S	*	.	S	Bend	trans	-63.2	12.8	174.8	-83.2	-17.3	0	0	0	112.8	K113 P117	K113-N115 PolarHBondContact O-N 2.93Å; N115-P117 WeakPolarHBondContact O-CD 3.4Å
116	D	48.1	Very low	48.3	Very low	72 Å²	72	102.7 Å²	102.7	39%	0.385	53%	0.532	S	S	.	.			trans	-95.2	99.9	177.9	-153.6	-21.3	0	0	0	108.8	S114 N118 L119	S114-D116 PolarHBondContact O-N 3.25Å; D116-N118 PolarHBondContact O-N 3.48Å; D116-N118 PolarHBondContact OD1-ND2 3.34Å; D116-L119 HydrophobicContact CB-CB 4.31Å; D116-L119 HydrophobicContact CB-CD1 3.83Å; D116-L119 PolarHBondContact O-N 2.84Å; D116-L119 VanDerWaalsContact O-N 3.12Å
117	P	47.3	Very low	48	Very low	100 Å²	100	103 Å²	103	65%	0.649	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-12	-179.3	26.5	-35	0	0	0	112.7	N115 S121	N115-P117 WeakPolarHBondContact O-CD 3.4Å; P117-S121 PolarHBondContact O-OG 3.09Å
118	N	47.2	Very low	47.8	Very low	110 Å²	110	97.8 Å²	97.8	59%	0.588	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-17.6	178.6	-61	-55.5	0	0	0	113.8	D116 S121	D116-N118 PolarHBondContact O-N 3.48Å; D116-N118 PolarHBondContact OD1-ND2 3.34Å; N118-S121 WeakPolarHBondContact CA-OG 3.43Å; N118-S121 PolarHBondContact O-OG 3.43Å
119	L	47	Very low	47.7	Very low	106 Å²	106	104 Å²	104	56%	0.555	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-26	-174.5	-105.1	146	0	0	0	113.6	D116	D116-L119 HydrophobicContact CB-CB 4.31Å; D116-L119 HydrophobicContact CB-CD1 3.83Å; D116-L119 PolarHBondContact O-N 2.84Å; D116-L119 VanDerWaalsContact O-N 3.12Å
120	L	40.7	Very low	47.8	Very low	119 Å²	119	104 Å²	104	62%	0.623	54%	0.54	S	S	*	.	S	Bend	trans	-90.5	-13.6	175.3	-83.9	128	0	0	0	113.3
121	S	39.6	Very low	48.3	Very low	25 Å²	25	100.4 Å²	100.4	18%	0.175	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.8	-175.1	50	0	0	0	0	114.2	P117 N118 S123 A126 P127 G128	P117-S121 PolarHBondContact O-OG 3.09Å; N118-S121 WeakPolarHBondContact CA-OG 3.43Å; N118-S121 PolarHBondContact O-OG 3.43Å; S121-S123 VanDerWaalsContact C-N 3.25Å; S121-S123 PolarHBondContact O-N 2.69Å; S121-A126 CarbonylContact C-O 3.59Å; S121-A126 WeakPolarHBondContact CA-O 3.27Å; S121-P127 CarbonylContact O-C 3.53Å; S121-P127 WeakPolarHBondContact O-CA 3.42Å; S121-G128 PolarHBondContact O-N 3.11Å
122	D	42.3	Very low	48.6	Very low	126 Å²	126	102.5 Å²	102.5	67%	0.674	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	24.6	168	-85.7	-11.1	0	0	0	112.3
123	S	47.3	Very low	49.4	Very low	42 Å²	42	101.9 Å²	101.9	29%	0.294	52%	0.515	S	S	.	.	S	Bend	trans	-83.3	133.6	163.7	179.5	0	0	0	0	109.1	S121 Y125 A126	S121-S123 VanDerWaalsContact C-N 3.25Å; S121-S123 PolarHBondContact O-N 2.69Å; S123-Y125 PolarHBondContact O-N 3.21Å; S123-A126 CarbonylContact O-C 3.54Å; S123-A126 PolarHBondContact O-N 2.92Å
124	L	47.7	Very low	50.3	Low	122 Å²	122	101.7 Å²	101.7	64%	0.639	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-23.7	174.3	-88.5	125.1	0	0	0	113.9
125	Y	46.2	Very low	51.3	Low	77 Å²	77	104.1 Å²	104.1	30%	0.302	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-4.3	-177.5	-73.7	-92.7	0	0	0	114.7	Y39 S69 S123	Y39-Y125 HydrophobicContact CD1-CE1 4.38Å; Y39-Y125 HydrophobicContact CE1-CD1 4.05Å; Y39-Y125 AromaticContact CE1-CE1 3.93Å; Y39-Y125 HydrophobicContact CE1-CE1 3.93Å; S69-Y125 PolarHBondContact OG-OH 2.85Å; S123-Y125 PolarHBondContact O-N 3.21Å
126	A	50.8	Low	52	Low	54 Å²	54	101.8 Å²	101.8	45%	0.446	50%	0.502	S	S	.	.	S	Bend	trans	-143.2	57.4	174.8	0	0	0	0	0	110.2	S121 S123 G128	S121-A126 CarbonylContact C-O 3.59Å; S121-A126 WeakPolarHBondContact CA-O 3.27Å; S123-A126 CarbonylContact O-C 3.54Å; S123-A126 PolarHBondContact O-N 2.92Å; A126-G128 PolarHBondContact O-N 2.91Å; A126-G128 VanDerWaalsContact O-N 3.16Å
127	P	48.1	Very low	53	Low	55 Å²	55	107.4 Å²	107.4	36%	0.357	52%	0.518	S	S	.	.			trans	-56.4	124.6	-172.3	22.7	-32.7	0	0	0	110	S121 V131	S121-P127 CarbonylContact O-C 3.53Å; S121-P127 WeakPolarHBondContact O-CA 3.42Å; P127-V131 HydrophobicContact CB-CB 3.96Å; P127-V131 HydrophobicContact CB-CG1 3.82Å
128	G	52.5	Low	54.1	Low	11 Å²	11	108.2 Å²	108.2	11%	0.113	51%	0.513	C	S	.	.			trans	-56	155.9	178.6	0	0	0	0	0	110.2	S121 A126 K130 V131 R132	S121-G128 PolarHBondContact O-N 3.11Å; A126-G128 PolarHBondContact O-N 2.91Å; A126-G128 VanDerWaalsContact O-N 3.16Å; G128-K130 CarbonylContact O-C 3.59Å; G128-K130 PolarHBondContact O-N 3.25Å; G128-V131 PolarHBondContact O-N 3.4Å; G128-R132 PolarHBondContact O-N 3.42Å
129	K	56.8	Low	55	Low	182 Å²	182	106.4 Å²	106.4	79%	0.791	50%	0.504	S	S	*	.	H	α-helix	trans	-48.5	-30.9	-176.7	-70	-176.3	178.4	179	0	112.7	R133	K129-R133 VanDerWaalsContact O-CG 3.27Å; K129-R133 WeakPolarHBondContact O-CG 2.89Å; K129-R133 PolarHBondContact O-N 3.5Å
130	K	57.7	Low	56.1	Low	171 Å²	171	108.1 Å²	108.1	74%	0.743	51%	0.507	S	S	*	.	H	α-helix	trans	-70.2	-47.8	175.1	-70.6	-176	179.6	176.3	0	113.5	G128 R133 R134	G128-K130 CarbonylContact O-C 3.59Å; G128-K130 PolarHBondContact O-N 3.25Å; K130-R133 PolarHBondContact O-N 2.89Å; K130-R134 PolarHBondContact O-N 2.84Å; K130-R134 VanDerWaalsContact O-N 3.17Å
131	V	58.8	Low	57.7	Low	39 Å²	39	106.9 Å²	106.9	24%	0.236	50%	0.5	C	S	.	.	H	α-helix	trans	-66.8	-40.6	-179.7	178.2	0	0	0	0	110.4	P127 G128 R133 R134 H135	P127-V131 HydrophobicContact CB-CB 3.96Å; P127-V131 HydrophobicContact CB-CG1 3.82Å; G128-V131 PolarHBondContact O-N 3.4Å; V131-R133 VanDerWaalsContact C-N 3.32Å; V131-R133 PolarHBondContact O-N 2.74Å; V131-R134 PolarHBondContact O-N 3.26Å; V131-R134 VanDerWaalsContact O-N 3.13Å; V131-H135 WeakPolarHBondContact CG1-CE1 2.86Å; V131-H135 WeakPolarHBondContact CG1-ND1 3.19Å; V131-H135 PolarHBondContact O-N 3.38Å; V131-H135 PolarHBondContact O-ND1 3.45Å
132	R	58.8	Low	59.3	Low	161 Å²	161	108.6 Å²	108.6	61%	0.608	51%	0.509	S	S	*	.	H	α-helix	trans	-59.2	-41.4	174	-170.5	175	178.3	-179.4	-0.3	112.3	G128 R134 L136	G128-R132 PolarHBondContact O-N 3.42Å; R132-R134 VanDerWaalsContact C-N 3.34Å; R132-R134 PolarHBondContact O-N 2.93Å; R132-L136 HydrophobicContact CG-CD1 4.21Å; R132-L136 WeakPolarHBondContact O-CB 3.41Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.01Å; R132-L136 PolarHBondContact O-N 3.4Å; R132-L136 VanDerWaalsContact O-N 3.08Å
133	R	61.6	Low	60.6	Low	181 Å²	181	107 Å²	107	68%	0.683	50%	0.498	S	S	*	.	H	α-helix	trans	-65.4	-33.6	175.5	-77.2	176.6	-176.2	-169.2	1.4	113.1	K129 K130 V131 R137	K129-R133 VanDerWaalsContact O-CG 3.27Å; K129-R133 WeakPolarHBondContact O-CG 2.89Å; K129-R133 PolarHBondContact O-N 3.5Å; K130-R133 PolarHBondContact O-N 2.89Å; V131-R133 VanDerWaalsContact C-N 3.32Å; V131-R133 PolarHBondContact O-N 2.74Å; R133-R137 WeakPolarHBondContact O-CG 3.38Å; R133-R137 PolarHBondContact O-N 3.47Å
134	R	64.7	Low	61.8	Low	180 Å²	180	109 Å²	109	68%	0.679	50%	0.502	S	S	*	.	H	α-helix	trans	-70.6	-46.8	177.1	-72.8	-175.2	-172.9	169.7	1.7	111.8	K130 V131 R132 L136 R137 Q138	K130-R134 PolarHBondContact O-N 2.84Å; K130-R134 VanDerWaalsContact O-N 3.17Å; V131-R134 PolarHBondContact O-N 3.26Å; V131-R134 VanDerWaalsContact O-N 3.13Å; R132-R134 VanDerWaalsContact C-N 3.34Å; R132-R134 PolarHBondContact O-N 2.93Å; R134-L136 PolarHBondContact O-N 2.98Å; R134-R137 WeakPolarHBondContact O-CB 3.29Å; R134-R137 PolarHBondContact O-N 3.48Å; R134-R137 VanDerWaalsContact O-N 3.14Å; R134-Q138 PolarHBondContact O-N 3.25Å
135	H	64.1	Low	63	Low	100 Å²	100	109.4 Å²	109.4	46%	0.463	50%	0.501	S	S	.	.	H	α-helix	trans	-59.8	-47.2	176.6	-72.9	90.6	0	0	0	111.4	V131 R137 Q138 D139	V131-H135 WeakPolarHBondContact CG1-CE1 2.86Å; V131-H135 WeakPolarHBondContact CG1-ND1 3.19Å; V131-H135 PolarHBondContact O-N 3.38Å; V131-H135 PolarHBondContact O-ND1 3.45Å; H135-R137 PolarHBondContact O-N 3.32Å; H135-Q138 PolarHBondContact O-N 2.92Å; H135-D139 PolarHBondContact O-N 3.48Å
136	L	64.8	Low	64.1	Low	104 Å²	104	112.4 Å²	112.4	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-57.5	-34.7	176	-73.5	169.1	0	0	0	113.3	R132 R134 F140	R132-L136 HydrophobicContact CG-CD1 4.21Å; R132-L136 WeakPolarHBondContact O-CB 3.41Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.01Å; R132-L136 PolarHBondContact O-N 3.4Å; R132-L136 VanDerWaalsContact O-N 3.08Å; R134-L136 PolarHBondContact O-N 2.98Å; L136-F140 WeakPolarHBondContact O-CB 3.35Å; L136-F140 PolarHBondContact O-N 3.32Å; L136-F140 VanDerWaalsContact O-N 3.16Å
137	R	69.1	Low	65.1	Low	191 Å²	191	117 Å²	117	72%	0.721	52%	0.522	S	S	*	.	H	α-helix	trans	-70.8	-41.4	174	-78.5	-175.8	-179.7	-165.3	-0.9	112.1	R133 R134 H135 F140 I141	R133-R137 WeakPolarHBondContact O-CG 3.38Å; R133-R137 PolarHBondContact O-N 3.47Å; R134-R137 WeakPolarHBondContact O-CB 3.29Å; R134-R137 PolarHBondContact O-N 3.48Å; R134-R137 VanDerWaalsContact O-N 3.14Å; H135-R137 PolarHBondContact O-N 3.32Å; R137-F140 PolarHBondContact O-N 3.02Å; R137-I141 VanDerWaalsContact O-CG1 3.32Å; R137-I141 WeakPolarHBondContact O-CG1 3.44Å; R137-I141 PolarHBondContact O-N 2.96Å
138	Q	70.9	Confident	66.2	Low	117 Å²	117	120.9 Å²	120.9	55%	0.547	53%	0.533	S	S	.	.	H	α-helix	trans	-64.2	-41.4	176.1	-90.3	170.5	-42.8	0	0	111.7	R134 H135 F140 I141 T142	R134-Q138 PolarHBondContact O-N 3.25Å; H135-Q138 PolarHBondContact O-N 2.92Å; Q138-F140 VanDerWaalsContact C-N 3.3Å; Q138-F140 PolarHBondContact O-N 3.04Å; Q138-I141 PolarHBondContact O-N 3.12Å; Q138-T142 WeakPolarHBondContact O-CB 3.33Å; Q138-T142 PolarHBondContact O-N 3.46Å; Q138-T142 PolarHBondContact O-OG1 3.31Å
139	D	66.5	Low	67	Low	72 Å²	72	130.6 Å²	130.6	39%	0.385	57%	0.566	S	S	.	*	H	α-helix	trans	-62.2	-39.9	176.1	-67.3	-21.2	0	0	0	111.5	H135 T142 Q143	H135-D139 PolarHBondContact O-N 3.48Å; D139-T142 PolarHBondContact O-N 3.08Å; D139-Q143 WeakPolarHBondContact O-CB 3.29Å; D139-Q143 WeakPolarHBondContact O-CG 3.3Å; D139-Q143 PolarHBondContact O-N 3.44Å
140	F	69.6	Low	67.4	Low	142 Å²	142	126.5 Å²	126.5	62%	0.623	56%	0.561	S	S	*	*	H	α-helix	trans	-63.8	-46.8	176.3	-165	-92.1	0	0	0	111.8	L136 R137 Q138 T142 Q143 E144	L136-F140 WeakPolarHBondContact O-CB 3.35Å; L136-F140 PolarHBondContact O-N 3.32Å; L136-F140 VanDerWaalsContact O-N 3.16Å; R137-F140 PolarHBondContact O-N 3.02Å; Q138-F140 VanDerWaalsContact C-N 3.3Å; Q138-F140 PolarHBondContact O-N 3.04Å; F140-T142 VanDerWaalsContact C-N 3.3Å; F140-T142 PolarHBondContact O-N 3.49Å; F140-Q143 PolarHBondContact O-N 3.32Å; F140-E144 WeakPolarHBondContact O-CB 3.45Å; F140-E144 PolarHBondContact O-N 3.32Å
141	I	74.4	Confident	67.6	Low	92 Å²	92	127.6 Å²	127.6	47%	0.472	57%	0.568	S	S	.	*	H	α-helix	trans	-61.5	-41.8	176.6	-66.4	165.1	0	0	0	110.7	R137 Q138 E144 Q145	R137-I141 VanDerWaalsContact O-CG1 3.32Å; R137-I141 WeakPolarHBondContact O-CG1 3.44Å; R137-I141 PolarHBondContact O-N 2.96Å; Q138-I141 PolarHBondContact O-N 3.12Å; I141-E144 PolarHBondContact O-N 3.48Å; I141-Q145 WeakPolarHBondContact O-CG 3.43Å; I141-Q145 PolarHBondContact O-N 3.06Å
142	T	72.3	Confident	68	Low	61 Å²	61	132 Å²	132	37%	0.374	59%	0.585	S	S	.	*	H	α-helix	trans	-65.7	-46.6	-179.2	-56.3	0	0	0	0	110.7	Q138 D139 F140 E144 Q145 F146	Q138-T142 WeakPolarHBondContact O-CB 3.33Å; Q138-T142 PolarHBondContact O-N 3.46Å; Q138-T142 PolarHBondContact O-OG1 3.31Å; D139-T142 PolarHBondContact O-N 3.08Å; F140-T142 VanDerWaalsContact C-N 3.3Å; F140-T142 PolarHBondContact O-N 3.49Å; T142-E144 VanDerWaalsContact C-N 3.31Å; T142-E144 PolarHBondContact O-N 3.09Å; T142-Q145 PolarHBondContact O-N 3.06Å; T142-F146 HydrophobicContact CG2-CD2 3.75Å; T142-F146 HydrophobicContact CG2-CE2 3.49Å; T142-F146 VanDerWaalsContact CG2-CE2 3.49Å; T142-F146 WeakPolarHBondContact O-CD2 3.3Å; T142-F146 PolarHBondContact O-N 3.26Å
143	Q	70.8	Confident	68.5	Low	94 Å²	94	130.5 Å²	130.5	44%	0.439	58%	0.584	S	S	.	*	H	α-helix	trans	-61.3	-39.1	175	-77.2	178.9	29.3	0	0	112.4	D139 F140 F146 R147	D139-Q143 WeakPolarHBondContact O-CB 3.29Å; D139-Q143 WeakPolarHBondContact O-CG 3.3Å; D139-Q143 PolarHBondContact O-N 3.44Å; F140-Q143 PolarHBondContact O-N 3.32Å; Q143-F146 PolarHBondContact O-N 3.1Å; Q143-R147 PolarHBondContact O-N 3.38Å
144	E	72.9	Confident	68.9	Low	82 Å²	82	127.7 Å²	127.7	38%	0.383	58%	0.578	S	S	.	*	H	α-helix	trans	-68.1	-35.7	178.4	-159.6	174.8	176.5	0	0	112.1	F140 I141 T142 R147 K148	F140-E144 WeakPolarHBondContact O-CB 3.45Å; F140-E144 PolarHBondContact O-N 3.32Å; I141-E144 PolarHBondContact O-N 3.48Å; T142-E144 VanDerWaalsContact C-N 3.31Å; T142-E144 PolarHBondContact O-N 3.09Å; E144-R147 PolarHBondContact O-N 3.38Å; E144-K148 WeakPolarHBondContact O-CG 3.36Å; E144-K148 PolarHBondContact O-N 3.17Å; E144-K148 VanDerWaalsContact O-N 3.12Å
145	Q	72.6	Confident	69.1	Low	131 Å²	131	124.6 Å²	124.6	61%	0.612	57%	0.572	S	S	*	*	H	α-helix	trans	-67.5	-41.3	172.3	-75.3	-176.8	-12.9	0	0	112.7	I141 T142 R147 K148 R149	I141-Q145 WeakPolarHBondContact O-CG 3.43Å; I141-Q145 PolarHBondContact O-N 3.06Å; T142-Q145 PolarHBondContact O-N 3.06Å; Q145-R147 VanDerWaalsContact C-N 3.34Å; Q145-K148 PolarHBondContact O-N 3.04Å; Q145-R149 PolarHBondContact O-N 3.47Å
146	F	69.3	Low	69.4	Low	140 Å²	140	126.1 Å²	126.1	61%	0.614	58%	0.579	S	S	*	*	H	α-helix	trans	-63.3	-41	174.7	-82.4	-69.3	0	0	0	111.6	T142 Q143 K148 R149 S150	T142-F146 HydrophobicContact CG2-CD2 3.75Å; T142-F146 HydrophobicContact CG2-CE2 3.49Å; T142-F146 VanDerWaalsContact CG2-CE2 3.49Å; T142-F146 WeakPolarHBondContact O-CD2 3.3Å; T142-F146 PolarHBondContact O-N 3.26Å; Q143-F146 PolarHBondContact O-N 3.1Å; F146-K148 PolarHBondContact O-N 3.4Å; F146-R149 PolarHBondContact O-N 3.19Å; F146-S150 PolarHBondContact O-N 3.36Å; F146-S150 PolarHBondContact O-OG 3.35Å
147	R	70.9	Confident	69.7	Low	150 Å²	150	127.6 Å²	127.6	57%	0.566	58%	0.581	S	S	*	*	H	α-helix	trans	-62.9	-42.1	177.3	-162.9	-175.8	77.2	147.8	6.8	112.6	Q143 E144 Q145 R149 S150	Q143-R147 PolarHBondContact O-N 3.38Å; E144-R147 PolarHBondContact O-N 3.38Å; Q145-R147 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.08Å; R147-S150 PolarHBondContact O-N 3.35Å; R147-S150 PolarHBondContact O-OG 3.29Å
148	K	72	Confident	69.8	Low	137 Å²	137	123.1 Å²	123.1	60%	0.596	57%	0.571	S	S	*	*	H	α-helix	trans	-69.6	-16.3	176.9	-73.7	-178.5	-178.4	176.9	0	114.2	E144 Q145 F146	E144-K148 WeakPolarHBondContact O-CG 3.36Å; E144-K148 PolarHBondContact O-N 3.17Å; E144-K148 VanDerWaalsContact O-N 3.12Å; Q145-K148 PolarHBondContact O-N 3.04Å; F146-K148 PolarHBondContact O-N 3.4Å
149	R	68.4	Low	69.7	Low	215 Å²	215	123.5 Å²	123.5	81%	0.811	57%	0.573	S	S	*	*	H	α-helix	trans	-93.5	-12	177.9	-162.3	-179.8	-93.2	-177.8	-6.5	112.3	Q145 F146 R147	Q145-R149 PolarHBondContact O-N 3.47Å; F146-R149 PolarHBondContact O-N 3.19Å; R147-R149 PolarHBondContact O-N 3.08Å
150	S	66.4	Low	70	Confident	96 Å²	96	127.8 Å²	127.8	67%	0.671	59%	0.589	S	S	*	*			trans	-99.3	-0	176.6	57	0	0	0	0	114.4	F146 R147	F146-S150 PolarHBondContact O-N 3.36Å; F146-S150 PolarHBondContact O-OG 3.35Å; R147-S150 PolarHBondContact O-N 3.35Å; R147-S150 PolarHBondContact O-OG 3.29Å
151	E	60.2	Low	70	Confident	194 Å²	194	126.5 Å²	126.5	91%	0.907	59%	0.586	S	S	*	*			trans	-101.3	0	169.5	-70.6	173.7	-179.8	0	0	109.5

Retrieved 151 of 151 residues in 182.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).