A0A5K4EBV4_SCHMA Loading...

Egg protein C122-like AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EBV4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	48	Very low	67.6	Low	228 Å²	228	140.8 Å²	140.8	100%	1.123	72%	0.717	S	S	*	*				0	88.1	0	-92.4	178	162.8	0	0	109.3
2	M	55	Low	68.6	Low	190 Å²	190	137.4 Å²	137.4	94%	0.936	70%	0.7	S	S	*	*			trans	-145.3	60.1	179.5	-85.6	-163.5	159.8	0	0	110.9
3	M	58.7	Low	69.2	Low	183 Å²	183	134.8 Å²	134.8	90%	0.901	69%	0.687	S	S	*	*			trans	-149.5	52.4	177.3	-76.6	-176.5	161.5	0	0	111.1
4	K	61.6	Low	69.6	Low	181 Å²	181	129.1 Å²	129.1	79%	0.787	67%	0.671	S	S	*	*	S	Bend	trans	-116.7	-10.1	177.5	-67.8	-173.8	178.9	-177.7	0	115
5	N	64.3	Low	69.8	Low	126 Å²	126	126.3 Å²	126.3	67%	0.674	66%	0.662	S	S	*	*	S	Bend	trans	-118.3	3.8	-172.6	-61	2.4	0	0	0	114.1	W7 L8 L9	N5-W7 VanDerWaalsContact C-N 3.33Å; N5-W7 PolarHBondContact O-N 3.08Å; N5-L8 PolarHBondContact O-N 3.04Å; N5-L9 PolarHBondContact O-N 3.32Å
6	S	70	Confident	69.4	Low	95 Å²	95	122.1 Å²	122.1	66%	0.664	65%	0.646	S	S	*	*	H	α-helix	trans	-65.6	-35.9	-178.7	-170.9	0	0	0	0	112.4	L8 L9 S10	S6-L8 PolarHBondContact O-N 3.5Å; S6-L9 PolarHBondContact O-N 3.46Å; S6-S10 PolarHBondContact O-N 3.04Å; S6-S10 VanDerWaalsContact O-N 3.15Å
7	W	80	Confident	68.8	Low	212 Å²	212	117.7 Å²	117.7	80%	0.803	63%	0.631	S	S	*	*	H	α-helix	trans	-67.8	-36.7	179.1	-174.9	66.3	0	0	0	112.7	N5 S10 A11	N5-W7 VanDerWaalsContact C-N 3.33Å; N5-W7 PolarHBondContact O-N 3.08Å; W7-S10 PolarHBondContact O-N 3.18Å; W7-A11 PolarHBondContact O-N 3.3Å
8	L	76.6	Confident	68.3	Low	107 Å²	107	116.1 Å²	116.1	56%	0.56	63%	0.625	S	S	*	*	H	α-helix	trans	-65	-41.3	177.2	-169.3	74.3	0	0	0	111.6	N5 S6 A11 I12	N5-L8 PolarHBondContact O-N 3.04Å; S6-L8 PolarHBondContact O-N 3.5Å; L8-A11 PolarHBondContact O-N 2.86Å; L8-I12 HydrophobicContact CG-CD1 4.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.04Å; L8-I12 PolarHBondContact O-N 3.15Å; L8-I12 VanDerWaalsContact O-N 3.08Å
9	L	75	Confident	67.6	Low	112 Å²	112	117.5 Å²	117.5	59%	0.586	63%	0.626	S	S	*	*	H	α-helix	trans	-65.3	-40.6	177.6	-166	70.9	0	0	0	111.4	N5 S6 I12 I13	N5-L9 PolarHBondContact O-N 3.32Å; S6-L9 PolarHBondContact O-N 3.46Å; L9-I12 PolarHBondContact O-N 2.86Å; L9-I13 HydrophobicContact CG-CD1 4.19Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.21Å; L9-I13 PolarHBondContact O-N 3.17Å; L9-I13 VanDerWaalsContact O-N 3.08Å
10	S	76.5	Confident	66.9	Low	74 Å²	74	116.8 Å²	116.8	52%	0.517	63%	0.625	S	S	.	*	H	α-helix	trans	-61.1	-43.1	174.5	-172.6	0	0	0	0	112.2	S6 W7 I12 I13 A14	S6-S10 PolarHBondContact O-N 3.04Å; S6-S10 VanDerWaalsContact O-N 3.15Å; W7-S10 PolarHBondContact O-N 3.18Å; S10-I12 PolarHBondContact O-N 2.79Å; S10-I13 PolarHBondContact O-N 2.9Å; S10-A14 WeakPolarHBondContact O-CB 3.18Å; S10-A14 PolarHBondContact O-N 2.95Å
11	A	78.2	Confident	66.2	Low	41 Å²	41	117.7 Å²	117.7	34%	0.339	63%	0.626	S	S	.	*	H	α-helix	trans	-62.8	-41.7	177.2	0	0	0	0	0	112.5	W7 L8 A14 V15	W7-A11 PolarHBondContact O-N 3.3Å; L8-A11 PolarHBondContact O-N 2.86Å; A11-A14 PolarHBondContact O-N 3.35Å; A11-V15 WeakPolarHBondContact O-CG2 3.41Å; A11-V15 PolarHBondContact O-N 3.11Å
12	I	79	Confident	66.3	Low	100 Å²	100	109.1 Å²	109.1	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-64.6	-42.3	177.8	-66.9	164.5	0	0	0	111.1	L8 L9 S10 V15 S16	L8-I12 HydrophobicContact CG-CD1 4.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.04Å; L8-I12 PolarHBondContact O-N 3.15Å; L8-I12 VanDerWaalsContact O-N 3.08Å; L9-I12 PolarHBondContact O-N 2.86Å; S10-I12 PolarHBondContact O-N 2.79Å; I12-V15 PolarHBondContact O-N 2.63Å; I12-S16 PolarHBondContact O-N 3.18Å; I12-S16 PolarHBondContact O-OG 3.34Å
13	I	77.1	Confident	66.1	Low	103 Å²	103	107 Å²	107	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-64.5	-41.6	177.8	-66.5	165.3	0	0	0	110.7	L9 S10 S16 A17	L9-I13 HydrophobicContact CG-CD1 4.19Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.21Å; L9-I13 PolarHBondContact O-N 3.17Å; L9-I13 VanDerWaalsContact O-N 3.08Å; S10-I13 PolarHBondContact O-N 2.9Å; I13-S16 WeakPolarHBondContact CA-OG 3.39Å; I13-S16 PolarHBondContact O-N 3.27Å; I13-S16 PolarHBondContact O-OG 2.86Å; I13-S16 VanDerWaalsContact O-OG 3.08Å; I13-A17 WeakPolarHBondContact O-CB 3.45Å; I13-A17 PolarHBondContact O-N 3.28Å
14	A	74.1	Confident	65.8	Low	56 Å²	56	105.1 Å²	105.1	46%	0.463	57%	0.574	S	S	.	*	H	α-helix	trans	-63.7	-43.6	177.8	0	0	0	0	0	112.3	S10 A11 S16 A17 V18	S10-A14 WeakPolarHBondContact O-CB 3.18Å; S10-A14 PolarHBondContact O-N 2.95Å; A11-A14 PolarHBondContact O-N 3.35Å; A14-S16 PolarHBondContact O-N 3.4Å; A14-A17 PolarHBondContact O-N 3.33Å; A14-V18 WeakPolarHBondContact O-CG2 3.3Å; A14-V18 PolarHBondContact O-N 2.88Å; A14-V18 VanDerWaalsContact O-N 3.15Å
15	V	73.1	Confident	65.2	Low	87 Å²	87	101.6 Å²	101.6	53%	0.527	56%	0.564	S	S	.	*	H	α-helix	trans	-64	-41.4	177.2	173.7	0	0	0	0	111.2	A11 I12 V18 F19	A11-V15 WeakPolarHBondContact O-CG2 3.41Å; A11-V15 PolarHBondContact O-N 3.11Å; I12-V15 PolarHBondContact O-N 2.63Å; V15-V18 PolarHBondContact O-N 3.39Å; V15-F19 HydrophobicContact CG1-CD2 4.16Å; V15-F19 HydrophobicContact CG1-CE2 4.31Å; V15-F19 WeakPolarHBondContact O-CD2 3.28Å; V15-F19 PolarHBondContact O-N 2.88Å; V15-F19 VanDerWaalsContact O-N 3.16Å
16	S	63.3	Low	64.6	Low	59 Å²	59	100.8 Å²	100.8	41%	0.413	57%	0.568	S	S	.	*	H	α-helix	trans	-69	-32.1	177.8	38.9	0	0	0	0	112.9	I12 I13 A14 F19 V20	I12-S16 PolarHBondContact O-N 3.18Å; I12-S16 PolarHBondContact O-OG 3.34Å; I13-S16 WeakPolarHBondContact CA-OG 3.39Å; I13-S16 PolarHBondContact O-N 3.27Å; I13-S16 PolarHBondContact O-OG 2.86Å; I13-S16 VanDerWaalsContact O-OG 3.08Å; A14-S16 PolarHBondContact O-N 3.4Å; S16-F19 PolarHBondContact O-N 3.47Å; S16-V20 VanDerWaalsContact O-CG2 3.28Å; S16-V20 WeakPolarHBondContact O-CG2 3.32Å; S16-V20 PolarHBondContact O-N 3.43Å
17	A	59.5	Low	63.7	Low	47 Å²	47	104.5 Å²	104.5	39%	0.388	57%	0.569	S	S	.	*	H	α-helix	trans	-66.6	-37.2	172.8	0	0	0	0	0	112.9	I13 A14 V20 Q21	I13-A17 WeakPolarHBondContact O-CB 3.45Å; I13-A17 PolarHBondContact O-N 3.28Å; A14-A17 PolarHBondContact O-N 3.33Å; A17-V20 PolarHBondContact O-N 3.47Å; A17-Q21 PolarHBondContact O-N 3.14Å
18	V	59.6	Low	62.4	Low	88 Å²	88	101 Å²	101	53%	0.533	57%	0.571	S	S	.	*	H	α-helix	trans	-66.3	-39.9	175.3	174.4	0	0	0	0	111.2	A14 V15 Q21 S22	A14-V18 WeakPolarHBondContact O-CG2 3.3Å; A14-V18 PolarHBondContact O-N 2.88Å; A14-V18 VanDerWaalsContact O-N 3.15Å; V15-V18 PolarHBondContact O-N 3.39Å; V18-Q21 PolarHBondContact O-N 3.27Å; V18-S22 PolarHBondContact O-N 2.99Å; V18-S22 VanDerWaalsContact O-N 3.12Å; V18-S22 PolarHBondContact O-OG 2.93Å
19	F	54.4	Low	61.4	Low	144 Å²	144	98.9 Å²	98.9	63%	0.632	56%	0.562	S	S	*	*	H	α-helix	trans	-67.9	-39.7	176	-92.3	-88	0	0	0	112.5	V15 S16 S22	V15-F19 HydrophobicContact CG1-CD2 4.16Å; V15-F19 HydrophobicContact CG1-CE2 4.31Å; V15-F19 WeakPolarHBondContact O-CD2 3.28Å; V15-F19 PolarHBondContact O-N 2.88Å; V15-F19 VanDerWaalsContact O-N 3.16Å; S16-F19 PolarHBondContact O-N 3.47Å; F19-S22 PolarHBondContact O-N 2.57Å
20	V	54.6	Low	60.5	Low	102 Å²	102	97 Å²	97	62%	0.618	56%	0.556	S	S	*	*	H	α-helix	trans	-68.6	-33.7	176.9	173	0	0	0	0	112.2	S16 A17 S22	S16-V20 VanDerWaalsContact O-CG2 3.28Å; S16-V20 WeakPolarHBondContact O-CG2 3.32Å; S16-V20 PolarHBondContact O-N 3.43Å; A17-V20 PolarHBondContact O-N 3.47Å; V20-S22 VanDerWaalsContact C-N 3.3Å
21	Q	50.9	Low	59.7	Low	136 Å²	136	102.7 Å²	102.7	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-73.8	-20	173.1	-82.6	177.6	-32.6	0	0	113.7	A17 V18	A17-Q21 PolarHBondContact O-N 3.14Å; V18-Q21 PolarHBondContact O-N 3.27Å
22	S	51.8	Low	58.9	Low	48 Å²	48	107.7 Å²	107.7	34%	0.336	59%	0.593	S	S	.	*	H	α-helix	trans	-77.5	-22.9	-178.7	-60.8	0	0	0	0	112.8	V18 F19 V20 D24	V18-S22 PolarHBondContact O-N 2.99Å; V18-S22 VanDerWaalsContact O-N 3.12Å; V18-S22 PolarHBondContact O-OG 2.93Å; F19-S22 PolarHBondContact O-N 2.57Å; V20-S22 VanDerWaalsContact C-N 3.3Å; S22-D24 VanDerWaalsContact C-N 3.33Å
23	D	50.8	Low	57.7	Low	146 Å²	146	107.1 Å²	107.1	78%	0.781	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-19.7	177.8	-72.7	-23.7	0	0	0	113
24	D	51.3	Low	56.6	Low	143 Å²	143	104.6 Å²	104.6	77%	0.765	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-1.2	178.9	-81.5	-26.5	0	0	0	113.6	S22 S26	S22-D24 VanDerWaalsContact C-N 3.33Å; D24-S26 PolarHBondContact O-N 3.42Å; D24-S26 VanDerWaalsContact O-N 3.12Å
25	L	49.1	Very low	55.6	Low	107 Å²	107	109 Å²	109	56%	0.56	60%	0.596	S	S	*	*			trans	-77.2	99.4	167.1	-102.6	81.4	0	0	0	108.7	Y27	L25-Y27 HydrophobicContact CB-CE2 4.33Å; L25-Y27 VanDerWaalsContact O-CD2 3.26Å; L25-Y27 WeakPolarHBondContact O-CD2 3.43Å; L25-Y27 PolarHBondContact O-N 3.46Å
26	S	50.8	Low	54.7	Low	109 Å²	109	113 Å²	113	76%	0.762	60%	0.603	S	S	*	*			trans	-59.2	92.9	158.3	38.1	0	0	0	0	108.4	D24 T28	D24-S26 PolarHBondContact O-N 3.42Å; D24-S26 VanDerWaalsContact O-N 3.12Å; S26-T28 PolarHBondContact O-N 3.44Å
27	Y	51.6	Low	54.1	Low	173 Å²	173	113.2 Å²	113.2	68%	0.678	60%	0.602	S	S	*	*			trans	-59.2	109.5	169.2	-72.6	-86.6	0	0	0	107.7	L25 V29	L25-Y27 HydrophobicContact CB-CE2 4.33Å; L25-Y27 VanDerWaalsContact O-CD2 3.26Å; L25-Y27 WeakPolarHBondContact O-CD2 3.43Å; L25-Y27 PolarHBondContact O-N 3.46Å; Y27-V29 VanDerWaalsContact C-N 3.33Å; Y27-V29 PolarHBondContact O-N 3.01Å
28	T	53.9	Low	53.8	Low	139 Å²	139	118.4 Å²	118.4	85%	0.853	61%	0.612	S	S	*	*			trans	-60.9	100.5	163	12.6	0	0	0	0	107.4	S26 P30	S26-T28 PolarHBondContact O-N 3.44Å; T28-P30 WeakPolarHBondContact O-CD 3.15Å
29	V	55	Low	53.3	Low	63 Å²	63	121 Å²	121	38%	0.382	62%	0.617	S	S	.	*			trans	-65	121.3	173	-176.9	0	0	0	0	106.7	Y27 K31 L33 A34 V37	Y27-V29 VanDerWaalsContact C-N 3.33Å; Y27-V29 PolarHBondContact O-N 3.01Å; V29-K31 PolarHBondContact O-N 2.9Å; V29-L33 HydrophobicContact CG1-CB 3.83Å; V29-A34 HydrophobicContact CG1-CB 4.4Å; V29-V37 HydrophobicContact CG1-CG2 3.81Å; V29-V37 HydrophobicContact CG2-CG2 4.11Å
30	P	56.2	Low	53	Low	71 Å²	71	118.7 Å²	118.7	46%	0.461	61%	0.611	S	S	.	*			trans	-53.2	139	171.4	-22.6	33.2	0	0	0	108.6	T28 D32 L33 A34	T28-P30 WeakPolarHBondContact O-CD 3.15Å; P30-D32 PolarHBondContact O-N 3.48Å; P30-L33 HydrophobicContact CB-CD1 4.25Å; P30-L33 HydrophobicContact CG-CD1 3.9Å; P30-L33 PolarHBondContact O-N 3.01Å; P30-A34 PolarHBondContact O-N 2.91Å
31	K	59.3	Low	52.7	Low	194 Å²	194	120.8 Å²	120.8	84%	0.843	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-51.6	-30.1	-177.4	-71.1	-179.3	179.7	175.9	0	112.3	V29 L33 A34	V29-K31 PolarHBondContact O-N 2.9Å; K31-L33 VanDerWaalsContact C-N 3.27Å; K31-L33 PolarHBondContact O-N 3.32Å; K31-A34 PolarHBondContact O-N 3.02Å
32	D	60.8	Low	52.8	Low	146 Å²	146	117.5 Å²	117.5	78%	0.781	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-72.1	-15.5	179.8	-51.3	-20.6	0	0	0	114.1	P30	P30-D32 PolarHBondContact O-N 3.48Å
33	L	53.9	Low	52.7	Low	89 Å²	89	123 Å²	123	47%	0.466	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-110.9	-6.7	179.3	-80.7	151.2	0	0	0	113	V29 P30 K31 E35 Y36 V37	V29-L33 HydrophobicContact CG1-CB 3.83Å; P30-L33 HydrophobicContact CB-CD1 4.25Å; P30-L33 HydrophobicContact CG-CD1 3.9Å; P30-L33 PolarHBondContact O-N 3.01Å; K31-L33 VanDerWaalsContact C-N 3.27Å; K31-L33 PolarHBondContact O-N 3.32Å; L33-E35 PolarHBondContact O-N 3.44Å; L33-Y36 HydrophobicContact CD2-CD2 4.49Å; L33-Y36 PolarHBondContact O-N 3.24Å; L33-Y36 VanDerWaalsContact O-N 3.08Å; L33-V37 PolarHBondContact O-N 3.08Å
34	A	54.3	Low	52.5	Low	50 Å²	50	121.5 Å²	121.5	41%	0.413	60%	0.604	S	S	.	*	H	α-helix	trans	-59.8	-33.2	-179.8	0	0	0	0	0	112.2	V29 P30 K31 Y36 Y38	V29-A34 HydrophobicContact CG1-CB 4.4Å; P30-A34 PolarHBondContact O-N 2.91Å; K31-A34 PolarHBondContact O-N 3.02Å; A34-Y36 VanDerWaalsContact C-N 3.33Å; A34-Y36 PolarHBondContact O-N 3.13Å; A34-Y38 PolarHBondContact O-N 3Å
35	E	54.3	Low	52.5	Low	148 Å²	148	120 Å²	120	69%	0.692	60%	0.595	S	S	*	*	H	α-helix	trans	-66.4	-34	177.7	-158	167.7	-165.6	0	0	111.9	L33 F39	L33-E35 PolarHBondContact O-N 3.44Å; E35-F39 WeakPolarHBondContact O-CD2 3.36Å
36	Y	52.4	Low	52.5	Low	171 Å²	171	117.9 Å²	117.9	67%	0.671	59%	0.593	S	S	*	*	H	α-helix	trans	-79.9	-32.4	178.8	-69.8	-83.4	0	0	0	113.5	L33 A34 Y38 F39	L33-Y36 HydrophobicContact CD2-CD2 4.49Å; L33-Y36 PolarHBondContact O-N 3.24Å; L33-Y36 VanDerWaalsContact O-N 3.08Å; A34-Y36 VanDerWaalsContact C-N 3.33Å; A34-Y36 PolarHBondContact O-N 3.13Å; Y36-Y38 PolarHBondContact O-N 3.03Å; Y36-F39 PolarHBondContact O-N 3.23Å
37	V	52.5	Low	52.3	Low	64 Å²	64	118.6 Å²	118.6	39%	0.388	58%	0.584	S	S	.	*	H	α-helix	trans	-69.8	-23.8	177.4	179.1	0	0	0	0	111.7	V29 L33 F39	V29-V37 HydrophobicContact CG1-CG2 3.81Å; V29-V37 HydrophobicContact CG2-CG2 4.11Å; L33-V37 PolarHBondContact O-N 3.08Å; V37-F39 VanDerWaalsContact C-N 3.31Å; V37-F39 PolarHBondContact O-N 3.4Å
38	Y	51.6	Low	52.1	Low	156 Å²	156	117.1 Å²	117.1	61%	0.612	58%	0.584	S	S	*	*	H	α-helix	trans	-68.1	-30.2	176.2	-139.6	-92.4	0	0	0	112.6	A34 Y36 C42	A34-Y38 PolarHBondContact O-N 3Å; Y36-Y38 PolarHBondContact O-N 3.03Å; Y38-C42 PolarHBondContact O-SG 3.44Å
39	F	49.2	Very low	51.7	Low	143 Å²	143	113.7 Å²	113.7	63%	0.627	56%	0.563	S	S	*	*	H	α-helix	trans	-74.8	-33.3	-178.7	-76.5	-80.3	0	0	0	113.6	E35 Y36 V37 Y43	E35-F39 WeakPolarHBondContact O-CD2 3.36Å; Y36-F39 PolarHBondContact O-N 3.23Å; V37-F39 VanDerWaalsContact C-N 3.31Å; V37-F39 PolarHBondContact O-N 3.4Å; F39-Y43 PolarHBondContact O-N 3.46Å
40	D	48.2	Very low	51.2	Low	94 Å²	94	113.8 Å²	113.8	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-72.4	-34.7	-177	-168	51.3	0	0	0	112.9	K44	D40-K44 PolarHBondContact O-N 3.38Å; D40-K44 IonicContact OD2-NZ 3.38Å; D40-K44 PolarHBondContact OD2-NZ 3.49Å
41	K	49.7	Very low	50.6	Low	147 Å²	147	116.1 Å²	116.1	64%	0.639	58%	0.582	S	S	*	*	H	α-helix	trans	-76.1	-30.1	179.2	-69.9	-175.5	-180	-179.9	0	112.9	Y43 I45	K41-Y43 VanDerWaalsContact C-N 3.34Å; K41-I45 WeakPolarHBondContact O-CG1 3.26Å; K41-I45 PolarHBondContact O-N 3.12Å
42	C	52.2	Low	50	Low	67 Å²	67	112.6 Å²	112.6	45%	0.453	58%	0.577	S	S	.	*	H	α-helix	trans	-68.9	-34.1	174.7	-65.1	0	0	0	0	112	Y38 I45 A46	Y38-C42 PolarHBondContact O-SG 3.44Å; C42-I45 PolarHBondContact O-N 3.48Å; C42-A46 PolarHBondContact O-N 3.38Å; C42-A46 VanDerWaalsContact O-N 3.13Å
43	Y	49.2	Very low	49.3	Very low	164 Å²	164	111 Å²	111	64%	0.643	56%	0.563	S	S	*	*	H	α-helix	trans	-67.9	-40.7	178	-115.8	-91.4	0	0	0	112.8	F39 K41 I45 A46 E47	F39-Y43 PolarHBondContact O-N 3.46Å; K41-Y43 VanDerWaalsContact C-N 3.34Å; Y43-I45 VanDerWaalsContact C-N 3.32Å; Y43-I45 PolarHBondContact O-N 3.31Å; Y43-A46 PolarHBondContact O-N 3.21Å; Y43-E47 PolarHBondContact O-N 3.47Å
44	K	47.7	Very low	48.9	Very low	114 Å²	114	114.2 Å²	114.2	50%	0.496	58%	0.581	S	S	.	*	H	α-helix	trans	-67.3	-30.9	178.2	-72.4	177.8	179.7	159.1	0	113.4	D40 Q48	D40-K44 PolarHBondContact O-N 3.38Å; D40-K44 IonicContact OD2-NZ 3.38Å; D40-K44 PolarHBondContact OD2-NZ 3.49Å; K44-Q48 WeakPolarHBondContact O-CB 3.46Å; K44-Q48 VanDerWaalsContact O-CG 3.32Å; K44-Q48 WeakPolarHBondContact O-CG 3.34Å; K44-Q48 PolarHBondContact O-N 3.38Å; K44-Q48 VanDerWaalsContact O-N 3.08Å
45	I	50.7	Low	48.5	Very low	111 Å²	111	118.3 Å²	118.3	57%	0.569	60%	0.596	S	S	*	*	H	α-helix	trans	-73.5	-40.2	174.4	-62.7	167.8	0	0	0	109.9	K41 C42 Y43 E47 Q48 T49	K41-I45 WeakPolarHBondContact O-CG1 3.26Å; K41-I45 PolarHBondContact O-N 3.12Å; C42-I45 PolarHBondContact O-N 3.48Å; Y43-I45 VanDerWaalsContact C-N 3.32Å; Y43-I45 PolarHBondContact O-N 3.31Å; I45-E47 VanDerWaalsContact C-N 3.35Å; I45-E47 PolarHBondContact O-N 3.25Å; I45-Q48 PolarHBondContact O-N 3.4Å; I45-T49 WeakPolarHBondContact O-CB 3.29Å; I45-T49 PolarHBondContact O-N 2.95Å; I45-T49 PolarHBondContact O-OG1 3.44Å
46	A	48.9	Very low	47.9	Very low	63 Å²	63	119.5 Å²	119.5	52%	0.521	61%	0.607	S	S	.	*	H	α-helix	trans	-62.2	-39.8	175.9	0	0	0	0	0	112.6	C42 Y43 A50	C42-A46 PolarHBondContact O-N 3.38Å; C42-A46 VanDerWaalsContact O-N 3.13Å; Y43-A46 PolarHBondContact O-N 3.21Å; A46-A50 VanDerWaalsContact O-CB 3.3Å; A46-A50 WeakPolarHBondContact O-CB 3.46Å; A46-A50 PolarHBondContact O-N 2.82Å
47	E	47.2	Very low	47.5	Very low	123 Å²	123	119 Å²	119	58%	0.575	61%	0.611	S	S	*	*	H	α-helix	trans	-72.4	-41.8	177	-73.1	-172.6	165.5	0	0	113	Y43 I45 T49 A50 V51	Y43-E47 PolarHBondContact O-N 3.47Å; I45-E47 VanDerWaalsContact C-N 3.35Å; I45-E47 PolarHBondContact O-N 3.25Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.36Å; E47-A50 PolarHBondContact O-N 3.31Å; E47-A50 VanDerWaalsContact O-N 3.14Å; E47-V51 VanDerWaalsContact O-CG2 3.28Å; E47-V51 WeakPolarHBondContact O-CG2 3.28Å; E47-V51 PolarHBondContact O-N 3.08Å
48	Q	47.3	Very low	46.9	Very low	143 Å²	143	121.6 Å²	121.6	67%	0.668	63%	0.628	S	S	*	*	H	α-helix	trans	-67.3	-32.9	176.1	-72.8	-179.4	34.6	0	0	112.4	K44 I45 V52	K44-Q48 WeakPolarHBondContact O-CB 3.46Å; K44-Q48 VanDerWaalsContact O-CG 3.32Å; K44-Q48 WeakPolarHBondContact O-CG 3.34Å; K44-Q48 PolarHBondContact O-N 3.38Å; K44-Q48 VanDerWaalsContact O-N 3.08Å; I45-Q48 PolarHBondContact O-N 3.4Å; Q48-V52 WeakPolarHBondContact O-CG2 3.35Å
49	T	46	Very low	46.7	Very low	67 Å²	67	118.9 Å²	118.9	41%	0.411	62%	0.623	S	S	.	*	H	α-helix	trans	-75.4	-26.4	173.6	-31	0	0	0	0	111.4	I45 E47 K53	I45-T49 WeakPolarHBondContact O-CB 3.29Å; I45-T49 PolarHBondContact O-N 2.95Å; I45-T49 PolarHBondContact O-OG1 3.44Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.36Å; T49-K53 WeakPolarHBondContact O-CD 3.42Å; T49-K53 WeakPolarHBondContact O-CE 3.49Å; T49-K53 WeakPolarHBondContact O-CG 3.33Å
50	A	43	Very low	46.5	Very low	64 Å²	64	120.8 Å²	120.8	53%	0.529	63%	0.631	S	S	.	*	H	α-helix	trans	-75.6	-34.6	176	0	0	0	0	0	112.7	A46 E47 V52 K53	A46-A50 VanDerWaalsContact O-CB 3.3Å; A46-A50 WeakPolarHBondContact O-CB 3.46Å; A46-A50 PolarHBondContact O-N 2.82Å; E47-A50 PolarHBondContact O-N 3.31Å; E47-A50 VanDerWaalsContact O-N 3.14Å; A50-V52 VanDerWaalsContact C-N 3.33Å; A50-V52 PolarHBondContact O-N 3.41Å; A50-K53 PolarHBondContact O-N 2.92Å
51	V	44.6	Very low	46.3	Very low	121 Å²	121	123.9 Å²	123.9	73%	0.733	65%	0.648	S	S	*	*	H	α-helix	trans	-76.1	-18.2	-177.4	175.8	0	0	0	0	113	E47	E47-V51 VanDerWaalsContact O-CG2 3.28Å; E47-V51 WeakPolarHBondContact O-CG2 3.28Å; E47-V51 PolarHBondContact O-N 3.08Å
52	V	47.5	Very low	46.3	Very low	120 Å²	120	124.9 Å²	124.9	73%	0.727	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	0	178.5	-178.5	0	0	0	0	112.9	Q48 A50	Q48-V52 WeakPolarHBondContact O-CG2 3.35Å; A50-V52 VanDerWaalsContact C-N 3.33Å; A50-V52 PolarHBondContact O-N 3.41Å
53	K	45.5	Very low	46	Very low	113 Å²	113	127.3 Å²	127.3	49%	0.491	67%	0.67	S	S	.	*			trans	-100.7	31.1	-172.8	-70	175.8	-168.3	-168	0	115.2	T49 A50 D55 I59	T49-K53 WeakPolarHBondContact O-CD 3.42Å; T49-K53 WeakPolarHBondContact O-CE 3.49Å; T49-K53 WeakPolarHBondContact O-CG 3.33Å; A50-K53 PolarHBondContact O-N 2.92Å; K53-D55 PolarHBondContact O-N 3Å; K53-I59 HydrophobicContact CD-CD1 3.34Å; K53-I59 HydrophobicContact CG-CD1 3.83Å
54	N	44.4	Very low	46.1	Very low	156 Å²	156	127.2 Å²	127.2	83%	0.834	68%	0.679	S	S	*	*			trans	-83.7	5.3	175.1	-125.4	-18	0	0	0	114
55	D	45.5	Very low	46.2	Very low	136 Å²	136	128 Å²	128	73%	0.727	69%	0.693	S	S	*	*	S	Bend	trans	-108.3	104	173.4	-66.3	-30.7	0	0	0	109.6	K53 Q57	K53-D55 PolarHBondContact O-N 3Å; D55-Q57 PolarHBondContact O-N 2.8Å
56	N	42.9	Very low	46.2	Very low	173 Å²	173	130.5 Å²	130.5	93%	0.925	70%	0.702	S	S	*	*			trans	-19.4	46.5	166.4	-89.2	-10.8	0	0	0	120.2
57	Q	43.6	Very low	46.1	Very low	161 Å²	161	132.1 Å²	132.1	75%	0.752	71%	0.708	S	S	*	*			trans	-116.7	122	179	-74.7	-100.3	5.1	0	0	110.2	D55 I59	D55-Q57 PolarHBondContact O-N 2.8Å; Q57-I59 PolarHBondContact O-N 3Å; Q57-I59 VanDerWaalsContact O-N 3.11Å
58	P	40.8	Very low	46	Very low	117 Å²	117	133 Å²	133	76%	0.76	72%	0.721	S	S	*	*			trans	-67.8	112.2	174.5	26.8	-31	0	0	0	109.3	K60	P58-K60 PolarHBondContact O-N 2.7Å
59	I	46.6	Very low	46	Very low	99 Å²	99	131.8 Å²	131.8	51%	0.508	72%	0.724	S	S	.	*			trans	-68.5	115.3	176.3	-62.8	168.6	0	0	0	107.7	K53 Q57 N61	K53-I59 HydrophobicContact CD-CD1 3.34Å; K53-I59 HydrophobicContact CG-CD1 3.83Å; Q57-I59 PolarHBondContact O-N 3Å; Q57-I59 VanDerWaalsContact O-N 3.11Å; I59-N61 PolarHBondContact O-N 3.36Å
60	K	44	Very low	45.9	Very low	183 Å²	183	132.8 Å²	132.8	80%	0.796	74%	0.738	S	S	*	*			trans	-65.3	122.7	167	-70.7	176.8	-180	175.6	0	107.4	P58 E62	P58-K60 PolarHBondContact O-N 2.7Å; K60-E62 VanDerWaalsContact C-N 3.32Å; K60-E62 PolarHBondContact O-N 3.2Å
61	N	45.3	Very low	45.8	Very low	159 Å²	159	135 Å²	135	85%	0.85	75%	0.745	S	S	*	*			trans	-60.9	92.7	171.3	-63.5	-25.3	0	0	0	108.9	I59	I59-N61 PolarHBondContact O-N 3.36Å
62	E	49.5	Very low	45.7	Very low	169 Å²	169	136.8 Å²	136.8	79%	0.79	75%	0.751	S	S	*	*			trans	-79.4	136.6	161.6	-69.5	-164.2	170.1	0	0	108.4	K60 I64	K60-E62 VanDerWaalsContact C-N 3.32Å; K60-E62 PolarHBondContact O-N 3.2Å; E62-I64 PolarHBondContact O-N 3.12Å
63	P	45.5	Very low	45.2	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	75%	0.754	S	S	*	*			trans	-63.8	126.3	179.4	25.7	-32	0	0	0	109.6	V65	P63-V65 PolarHBondContact O-N 3.49Å; P63-V65 VanDerWaalsContact O-N 3.15Å
64	I	51.3	Low	44.9	Very low	163 Å²	163	135.7 Å²	135.7	84%	0.836	77%	0.77	S	S	*	*			trans	-60.3	115.3	170.2	-61.2	169.2	0	0	0	106.7	E62 E66	E62-I64 PolarHBondContact O-N 3.12Å; I64-E66 PolarHBondContact O-N 2.99Å
65	V	49.8	Very low	44.7	Very low	131 Å²	131	133.5 Å²	133.5	79%	0.794	77%	0.767	S	S	*	*			trans	-77.6	113.7	172	-179.9	0	0	0	0	106.9	P63	P63-V65 PolarHBondContact O-N 3.49Å; P63-V65 VanDerWaalsContact O-N 3.15Å
66	E	50.4	Low	44.1	Very low	163 Å²	163	134.9 Å²	134.9	76%	0.762	77%	0.769	S	S	*	*			trans	-58.4	134.5	173.1	-69.9	179.9	174.9	0	0	110.2	I64 T68	I64-E66 PolarHBondContact O-N 2.99Å; E66-T68 PolarHBondContact O-N 3.44Å
67	P	47.3	Very low	44	Very low	97 Å²	97	133.4 Å²	133.4	63%	0.63	77%	0.766	S	S	*	*			trans	-66.8	117.2	174.3	26.6	-31.6	0	0	0	109.7	V69	P67-V69 PolarHBondContact O-N 3.41Å
68	T	45.7	Very low	43.6	Very low	141 Å²	141	132.4 Å²	132.4	87%	0.865	76%	0.764	S	S	*	*			trans	-69.9	113.6	169.9	-55.9	0	0	0	0	109.1	E66	E66-T68 PolarHBondContact O-N 3.44Å
69	V	46	Very low	43.4	Very low	118 Å²	118	131.6 Å²	131.6	72%	0.715	76%	0.761	S	S	*	*			trans	-86.2	112.7	173.2	-176.2	0	0	0	0	108.6	P67 V71	P67-V69 PolarHBondContact O-N 3.41Å; V69-V71 HydrophobicContact CG1-CG2 4.28Å; V69-V71 PolarHBondContact O-N 3.16Å
70	A	44	Very low	42.7	Very low	87 Å²	87	133.9 Å²	133.9	72%	0.719	78%	0.775	S	S	*	*			trans	-78.8	110.7	170.4	0	0	0	0	0	109.5
71	V	41.4	Very low	42.5	Very low	111 Å²	111	131.7 Å²	131.7	67%	0.673	78%	0.777	S	S	*	*			trans	-93.9	102.9	171.7	-175.9	0	0	0	0	108	V69 T73	V69-V71 HydrophobicContact CG1-CG2 4.28Å; V69-V71 PolarHBondContact O-N 3.16Å; V71-T73 HydrophobicContact CG1-CG2 4.09Å; V71-T73 PolarHBondContact O-N 3.04Å
72	N	43.5	Very low	41.9	Very low	159 Å²	159	133 Å²	133	85%	0.85	78%	0.777	S	S	*	*			trans	-82.9	99.9	169.8	-87.5	-33	0	0	0	109.4	G74	N72-G74 PolarHBondContact O-N 3.49Å
73	T	36.8	Very low	41.3	Very low	129 Å²	129	130 Å²	130	79%	0.791	78%	0.775	S	S	*	*			trans	-83	88.3	165.8	51	0	0	0	0	108.9	V71 S75	V71-T73 HydrophobicContact CG1-CG2 4.09Å; V71-T73 PolarHBondContact O-N 3.04Å; T73-S75 PolarHBondContact O-N 3.39Å
74	G	38.6	Very low	40.9	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	78%	0.777	S	S	*	*			trans	-76.4	107.9	177.9	0	0	0	0	0	112	N72	N72-G74 PolarHBondContact O-N 3.49Å
75	S	39.9	Very low	40	Very low	111 Å²	111	130.4 Å²	130.4	78%	0.776	77%	0.772	S	S	*	*			trans	-60.2	146.5	179.4	-172.5	0	0	0	0	114.4	T73	T73-S75 PolarHBondContact O-N 3.39Å
76	E	33.7	Very low	39.4	Very low	165 Å²	165	133.3 Å²	133.3	77%	0.771	78%	0.777	S	S	*	*			trans	-49.1	137.5	169.2	-72.1	174.2	135.6	0	0	112.7
77	V	41.4	Very low	38.7	Very low	142 Å²	142	134.9 Å²	134.9	86%	0.861	78%	0.784	S	S	*	*			trans	-133.1	110.5	157.9	-163.8	0	0	0	0	107.7
78	I	33.6	Very low	38.1	Very low	140 Å²	140	138 Å²	138	72%	0.718	80%	0.795	S	S	*	*			trans	-91	129.2	177.2	-55	162.1	0	0	0	107.4
79	S	37.6	Very low	37.7	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	79%	0.794	S	S	*	*			trans	176.8	110.4	142.4	52.1	0	0	0	0	111.5
80	D	32.2	Very low	37.3	Very low	148 Å²	148	140.2 Å²	140.2	79%	0.791	79%	0.792	S	S	*	*			trans	25.1	119.1	139.1	-50.8	-30.5	0	0	0	118.6
81	T	39.4	Very low	37	Very low	137 Å²	137	141.2 Å²	141.2	84%	0.84	79%	0.789	S	S	*	*				-172.9	134.1	118.6	-61.4	0	0	0	0	109.6
82	Q	32.8	Very low	36.9	Very low	185 Å²	185	143.8 Å²	143.8	86%	0.864	79%	0.794	S	S	*	*			trans	-39.9	135	172.3	-61.7	167.3	-32.6	0	0	114.2
83	S	36.4	Very low	36.7	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	79%	0.789	S	S	*	*				168.2	112.9	129	-171.8	0	0	0	0	110.3
84	K	36.1	Very low	37	Very low	185 Å²	185	141.5 Å²	141.5	80%	0.804	79%	0.785	S	S	*	*			trans	60.7	93.7	134.4	-147.7	168	-170.9	179.4	0	117.2	E86	K84-E86 PolarHBondContact O-N 3.15Å
85	S	32.5	Very low	37.2	Very low	103 Å²	103	142.8 Å²	142.8	72%	0.72	78%	0.779	S	S	*	*			trans	35.1	87.5	136.8	63	0	0	0	0	116.9
86	E	39	Very low	37.2	Very low	192 Å²	192	144.4 Å²	144.4	90%	0.897	78%	0.778	S	S	*	*			trans	-160.9	124.7	144.7	-109.3	164.5	-147.7	0	0	107.5	K84 L88	K84-E86 PolarHBondContact O-N 3.15Å; E86-L88 PolarHBondContact O-N 3.32Å
87	Q	35.6	Very low	37.6	Very low	196 Å²	196	143.3 Å²	143.3	92%	0.916	78%	0.775	S	S	*	*			trans	-58	129.2	-172.9	-66.3	178.7	33.7	0	0	110.2	K89	Q87-K89 PolarHBondContact O-N 2.94Å
88	L	34.2	Very low	37.8	Very low	163 Å²	163	141 Å²	141	85%	0.853	76%	0.762	S	S	*	*			trans	-46.5	108.7	175.6	-82.5	142.5	0	0	0	110.8	E86 V90	E86-L88 PolarHBondContact O-N 3.32Å; L88-V90 HydrophobicContact CB-CG2 4.48Å; L88-V90 PolarHBondContact O-N 3.08Å
89	K	36.2	Very low	38.2	Very low	194 Å²	194	140.9 Å²	140.9	84%	0.843	76%	0.763	S	S	*	*			trans	-70.7	81.2	165.8	-158.2	177.1	-171.7	-168.8	0	107.7	Q87 T91	Q87-K89 PolarHBondContact O-N 2.94Å; K89-T91 VanDerWaalsContact C-N 3.31Å; K89-T91 PolarHBondContact O-N 2.69Å
90	V	37.5	Very low	38.4	Very low	112 Å²	112	144.5 Å²	144.5	68%	0.679	77%	0.769	S	S	*	*			trans	-64	99.6	168.9	-179.1	0	0	0	0	106.3	L88 E92	L88-V90 HydrophobicContact CB-CG2 4.48Å; L88-V90 PolarHBondContact O-N 3.08Å; V90-E92 HydrophobicContact CG1-CG 4.1Å; V90-E92 PolarHBondContact O-N 3.45Å
91	T	38.2	Very low	39	Very low	107 Å²	107	145.8 Å²	145.8	66%	0.656	77%	0.77	S	S	*	*			trans	-76.3	86.8	170.4	-54.9	0	0	0	0	105.4	K89 S93	K89-T91 VanDerWaalsContact C-N 3.31Å; K89-T91 PolarHBondContact O-N 2.69Å; T91-S93 VanDerWaalsContact C-N 3.35Å; T91-S93 PolarHBondContact O-N 3.33Å; T91-S93 PolarHBondContact O-OG 3.06Å
92	E	39.8	Very low	39	Very low	166 Å²	166	150.3 Å²	150.3	78%	0.776	77%	0.772	S	S	*	*			trans	-56	104.3	170.1	-79.9	-176.2	159.9	0	0	107.7	V90 N94	V90-E92 HydrophobicContact CG1-CG 4.1Å; V90-E92 PolarHBondContact O-N 3.45Å; E92-N94 VanDerWaalsContact C-N 3.32Å; E92-N94 PolarHBondContact O-N 3.38Å
93	S	39.1	Very low	39.4	Very low	107 Å²	107	148.8 Å²	148.8	75%	0.748	77%	0.768	S	S	*	*			trans	-75.9	91.7	177.3	-52.1	0	0	0	0	105.9	T91	T91-S93 VanDerWaalsContact C-N 3.35Å; T91-S93 PolarHBondContact O-N 3.33Å; T91-S93 PolarHBondContact O-OG 3.06Å
94	N	43.6	Very low	39.7	Very low	132 Å²	132	151.2 Å²	151.2	71%	0.706	77%	0.771	S	S	*	*			trans	-50.5	130.6	169.3	-99.4	-12.5	0	0	0	108.5	E92 I96	E92-N94 VanDerWaalsContact C-N 3.32Å; E92-N94 PolarHBondContact O-N 3.38Å; N94-I96 PolarHBondContact O-N 2.98Å
95	P	42.3	Very low	39.7	Very low	108 Å²	108	148.5 Å²	148.5	70%	0.701	77%	0.77	S	S	*	*			trans	-62.6	106.5	174.4	25	-31.4	0	0	0	107.8	I97	P95-I97 PolarHBondContact O-N 3.35Å
96	I	40.7	Very low	39.9	Very low	145 Å²	145	147.1 Å²	147.1	74%	0.744	77%	0.772	S	S	*	*			trans	-68.7	92.2	168.4	-55	177.4	0	0	0	105.9	N94 T98	N94-I96 PolarHBondContact O-N 2.98Å; I96-T98 HydrophobicContact CG2-CG2 3.73Å; I96-T98 PolarHBondContact O-N 3.08Å
97	I	42.2	Very low	40	Very low	141 Å²	141	145.2 Å²	145.2	72%	0.723	77%	0.768	S	S	*	*			trans	-70.3	89.7	164.2	-57.5	176.5	0	0	0	105.6	P95 N99	P95-I97 PolarHBondContact O-N 3.35Å; I97-N99 PolarHBondContact O-N 3.08Å; I97-N99 VanDerWaalsContact O-N 3.17Å
98	T	43.9	Very low	40.4	Very low	94 Å²	94	142.3 Å²	142.3	58%	0.577	76%	0.764	S	S	*	*			trans	-74.5	100.4	167.4	34.4	0	0	0	0	107.3	I96 Q100	I96-T98 HydrophobicContact CG2-CG2 3.73Å; I96-T98 PolarHBondContact O-N 3.08Å; T98-Q100 PolarHBondContact O-N 3.47Å
99	N	41.9	Very low	40.4	Very low	137 Å²	137	141.8 Å²	141.8	73%	0.733	76%	0.762	S	S	*	*			trans	-63.9	92.4	156.3	-74.5	-21.4	0	0	0	106.2	I97 E101	I97-N99 PolarHBondContact O-N 3.08Å; I97-N99 VanDerWaalsContact O-N 3.17Å; N99-E101 PolarHBondContact O-N 3.36Å
100	Q	43.4	Very low	40.7	Very low	176 Å²	176	138.7 Å²	138.7	82%	0.822	76%	0.759	S	S	*	*			trans	-68.7	79.4	169.7	-68.1	-171.4	16.3	0	0	107.7	T98 R102	T98-Q100 PolarHBondContact O-N 3.47Å; Q100-R102 PolarHBondContact O-N 3.33Å
101	E	43.2	Very low	40.7	Very low	175 Å²	175	137.2 Å²	137.2	82%	0.818	76%	0.759	S	S	*	*			trans	-62.8	109	162.4	-78.4	-172.4	170.2	0	0	107.7	N99 I103	N99-E101 PolarHBondContact O-N 3.36Å; E101-I103 PolarHBondContact O-N 3Å
102	R	40.5	Very low	40.5	Very low	231 Å²	231	140.6 Å²	140.6	87%	0.872	77%	0.767	S	S	*	*			trans	-31.2	105.9	171.2	-162	179.3	-67.2	-162.5	1.1	111.5	Q100 I104	Q100-R102 PolarHBondContact O-N 3.33Å; R102-I104 PolarHBondContact O-N 3.35Å; R102-I104 VanDerWaalsContact O-N 3.08Å
103	I	40.7	Very low	40.2	Very low	153 Å²	153	140.7 Å²	140.7	79%	0.785	77%	0.768	S	S	*	*			trans	-53	109.9	173.4	-62.7	167.7	0	0	0	109.2	E101	E101-I103 PolarHBondContact O-N 3Å
104	I	42.3	Very low	40.1	Very low	159 Å²	159	142.3 Å²	142.3	82%	0.815	77%	0.768	S	S	*	*			trans	-102.2	121	154.4	-58.9	179.4	0	0	0	106.4	R102 G106	R102-I104 PolarHBondContact O-N 3.35Å; R102-I104 VanDerWaalsContact O-N 3.08Å; I104-G106 PolarHBondContact O-N 3.15Å
105	T	37	Very low	39.8	Very low	127 Å²	127	143.7 Å²	143.7	78%	0.779	78%	0.781	S	S	*	*			trans	-58.2	120.9	-158.3	-35.3	0	0	0	0	114.3
106	G	36.8	Very low	39.4	Very low	74 Å²	74	141.3 Å²	141.3	76%	0.763	78%	0.776	S	S	*	*			trans	-140.3	100.1	165.9	0	0	0	0	0	110.1	I104 T108	I104-G106 PolarHBondContact O-N 3.15Å; G106-T108 PolarHBondContact O-N 3.41Å
107	N	41.3	Very low	39.3	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	78%	0.78	S	S	*	*			trans	-52.4	118.8	175.4	-108.4	-7.7	0	0	0	112.5
108	T	44.1	Very low	39	Very low	135 Å²	135	146.3 Å²	146.3	83%	0.828	79%	0.79	S	S	*	*			trans	-161.6	107.7	131.6	44.6	0	0	0	0	109.6	G106 T110	G106-T108 PolarHBondContact O-N 3.41Å; T108-T110 PolarHBondContact O-N 3.39Å
109	N	34.5	Very low	38.7	Very low	151 Å²	151	147.4 Å²	147.4	81%	0.807	80%	0.797	S	S	*	*			trans	-56.7	125.4	160.2	-72.7	-27.5	0	0	0	110
110	T	42.1	Very low	38.2	Very low	129 Å²	129	144.3 Å²	144.3	79%	0.791	80%	0.797	S	S	*	*			trans	161.3	101.7	136.7	35	0	0	0	0	106.2	T108	T108-T110 PolarHBondContact O-N 3.39Å
111	A	36.3	Very low	37.8	Very low	82 Å²	82	145.5 Å²	145.5	68%	0.678	80%	0.8	S	S	*	*				60.9	109.2	94.2	0	0	0	0	0	111.6
112	Q	34.8	Very low	37.9	Very low	178 Å²	178	147.2 Å²	147.2	83%	0.832	81%	0.805	S	S	*	*			trans	38.5	118.1	136.4	-82.8	173.9	-61.8	0	0	117.2
113	Q	33	Very low	37.8	Very low	167 Å²	167	143.9 Å²	143.9	78%	0.78	80%	0.804	S	S	*	*			trans	130.4	127.1	137	-76.4	175.5	-15.1	0	0	115.2
114	N	38.6	Very low	38.2	Very low	142 Å²	142	144.1 Å²	144.1	76%	0.759	81%	0.807	S	S	*	*			trans	84	80.5	146.2	-52	-18.2	0	0	0	118.5	G116	N114-G116 PolarHBondContact O-N 3.5Å
115	T	37.3	Very low	38	Very low	160 Å²	160	145.4 Å²	145.4	98%	0.982	81%	0.807	S	S	*	*			trans	-69	73.4	144.3	18.6	0	0	0	0	109.5
116	G	33.3	Very low	38.4	Very low	58 Å²	58	150.5 Å²	150.5	60%	0.598	81%	0.812	S	S	*	*			trans	-89.6	120	167.5	0	0	0	0	0	111	N114	N114-G116 PolarHBondContact O-N 3.5Å
117	E	37.3	Very low	39	Very low	174 Å²	174	156 Å²	156	81%	0.813	82%	0.815	S	S	*	*			trans	36	104.2	139.4	-120.3	175.4	168.3	0	0	118.8	T119	E117-T119 PolarHBondContact O-N 3.4Å
118	K	37.7	Very low	38.9	Very low	217 Å²	217	155.6 Å²	155.6	94%	0.943	81%	0.812	S	S	*	*			trans	-91.7	87.4	162.1	-72.9	-177.3	179.8	173.5	0	109.9
119	T	37.2	Very low	39	Very low	117 Å²	117	160.2 Å²	160.2	72%	0.718	82%	0.815	S	S	*	*			trans	-109.9	116.4	159.3	41.8	0	0	0	0	109.9	E117	E117-T119 PolarHBondContact O-N 3.4Å
120	G	31.2	Very low	39.2	Very low	72 Å²	72	162 Å²	162	74%	0.742	82%	0.815	S	S	*	*			trans	-68.1	133.9	179.2	0	0	0	0	0	112.1
121	K	34.9	Very low	39.4	Very low	202 Å²	202	162.5 Å²	162.5	88%	0.878	81%	0.813	S	S	*	*			trans	168.1	112.8	148.7	-96.8	163.9	-175.6	178.7	0	107.8
122	K	46.2	Very low	39.8	Very low	211 Å²	211	165.1 Å²	165.1	92%	0.917	82%	0.821	S	S	*	*			trans	-177.9	115.8	133.3	-101.3	161.1	-176.2	176.3	0	112
123	N	36.9	Very low	40.2	Very low	160 Å²	160	160.4 Å²	160.4	86%	0.856	82%	0.82	S	S	*	*			trans	-45.3	130.5	157	-65.2	-34	0	0	0	111.1
124	N	49.4	Very low	40.8	Very low	158 Å²	158	162.5 Å²	162.5	85%	0.845	83%	0.826	S	S	*	*				-167.8	142	122	-131.4	-18.8	0	0	0	114.2
125	K	38.8	Very low	40.8	Very low	187 Å²	187	165 Å²	165	81%	0.813	83%	0.831	S	S	*	*			trans	-63.4	140.4	175	-72.9	165.8	170.6	168.2	0	112.7
126	R	45.5	Very low	41.1	Very low	233 Å²	233	164.8 Å²	164.8	88%	0.879	83%	0.829	S	S	*	*				158.8	109.5	126	-97.3	177.2	156.8	163.3	-6.1	109.4
127	K	47.8	Very low	41.5	Very low	191 Å²	191	165.7 Å²	165.7	83%	0.83	84%	0.839	S	S	*	*				67.2	116.6	86.6	-88.1	-168.7	177.2	-179.2	0	115.1
128	N	39.9	Very low	42	Very low	143 Å²	143	167.7 Å²	167.7	77%	0.765	85%	0.845	S	S	*	*			trans	65	138	152.8	-73.9	-11	0	0	0	116.2
129	R	45.5	Very low	42.5	Very low	233 Å²	233	167 Å²	167	88%	0.879	84%	0.842	S	S	*	*			cis	-173.6	148.7	42.8	-139.3	164.4	172.7	161.8	-3.5	109
130	K	39.3	Very low	43.1	Very low	187 Å²	187	168.7 Å²	168.7	81%	0.813	85%	0.852	S	S	*	*			trans	-56.5	150	170.5	-71.7	173.3	172.2	174.3	0	112.2
131	N	47.1	Very low	44	Very low	141 Å²	141	172.9 Å²	172.9	75%	0.754	86%	0.857	S	S	*	*				171.7	121.5	117	-88.3	-6.4	0	0	0	115
132	T	44.2	Very low	44.6	Very low	136 Å²	136	172.4 Å²	172.4	83%	0.834	86%	0.855	S	S	*	*			trans	44	119.9	133.1	55.6	0	0	0	0	121.8
133	G	43.2	Very low	44.8	Very low	79 Å²	79	171.5 Å²	171.5	81%	0.814	85%	0.851	S	S	*	*			trans	-151.5	89.7	164.7	0	0	0	0	0	114.5
134	K	46.5	Very low	45.5	Very low	211 Å²	211	170.1 Å²	170.1	92%	0.917	85%	0.849	S	S	*	*			trans	15.4	132.8	148.4	-128.4	167.4	-180	175.5	0	122
135	K	38.4	Very low	45.3	Very low	196 Å²	196	166.4 Å²	166.4	85%	0.852	85%	0.848	S	S	*	*			trans	-75.5	148.4	165.1	-64.9	177.1	176.1	176.9	0	112.6
136	T	42.6	Very low	45.7	Very low	154 Å²	154	167.2 Å²	167.2	95%	0.945	85%	0.851	S	S	*	*			trans	177.2	133.2	136.6	22.4	0	0	0	0	111.8
137	G	42.8	Very low	45.8	Very low	78 Å²	78	166 Å²	166	80%	0.804	85%	0.853	S	S	*	*			trans	-179.9	77.1	176.6	0	0	0	0	0	115.9
138	K	46.6	Very low	45.9	Very low	215 Å²	215	163.5 Å²	163.5	94%	0.935	85%	0.853	S	S	*	*			trans	34.9	127.3	149.5	-74.5	176.1	173.9	175.2	0	122.9
139	K	49.6	Very low	46	Very low	204 Å²	204	160.5 Å²	160.5	89%	0.887	86%	0.856	S	S	*	*			trans	-67.9	147.6	163.3	-60.5	172.1	176.3	175.6	0	112.7
140	T	49.4	Very low	45.9	Very low	152 Å²	152	159.8 Å²	159.8	93%	0.933	86%	0.859	S	S	*	*			trans	-150.4	138.3	137.5	41.6	0	0	0	0	110.4
141	N	49.2	Very low	46.5	Very low	159 Å²	159	160 Å²	160	85%	0.85	86%	0.86	S	S	*	*			trans	-111.6	128.3	-174.9	-141.8	0.9	0	0	0	106.8
142	K	47.8	Very low	46.4	Very low	193 Å²	193	159.2 Å²	159.2	84%	0.839	86%	0.861	S	S	*	*			trans	-133.4	104.4	171	-165.2	173.6	-177.1	176.6	0	109.5
143	K	50.7	Low	46.6	Very low	192 Å²	192	159.8 Å²	159.8	84%	0.835	86%	0.858	S	S	*	*			trans	-87.2	131.4	166.3	-75.2	-177.4	175.5	179.5	0	108.7
144	T	50.5	Low	46.8	Very low	130 Å²	130	166.1 Å²	166.1	80%	0.798	86%	0.864	S	S	*	*			trans	-154.2	111.8	153.7	32	0	0	0	0	108.5
145	G	45.9	Very low	47	Very low	80 Å²	80	162.3 Å²	162.3	83%	0.825	86%	0.858	S	S	*	*			trans	-89.1	152.7	168.5	0	0	0	0	0	111.4
146	K	48	Very low	47.5	Very low	205 Å²	205	162.7 Å²	162.7	89%	0.891	86%	0.86	S	S	*	*			trans	-149	116.3	159.7	-132.4	175.3	-176.6	178.5	0	108.3
147	K	47.4	Very low	48	Very low	208 Å²	208	159.6 Å²	159.6	90%	0.904	85%	0.849	S	S	*	*			trans	-93	133.3	167.5	-72.1	-176.2	176.6	-179.8	0	107.8
148	T	50.2	Low	48.5	Very low	137 Å²	137	162.3 Å²	162.3	84%	0.84	85%	0.85	S	S	*	*			trans	-146.5	111.7	160.8	33.8	0	0	0	0	108.2
149	G	41.1	Very low	48.5	Very low	80 Å²	80	159.1 Å²	159.1	83%	0.825	84%	0.843	S	S	*	*			trans	-88.1	153.3	170.9	0	0	0	0	0	111.5
150	K	44.3	Very low	48.4	Very low	218 Å²	218	154.5 Å²	154.5	95%	0.948	84%	0.843	S	S	*	*			trans	-141.1	119.8	158.6	-121.3	178.4	179.1	-179.4	0	107.8
151	K	50.1	Low	48.4	Very low	193 Å²	193	154 Å²	154	84%	0.839	84%	0.839	S	S	*	*			trans	-91.7	172.6	168.7	-77.5	-176.8	175.9	177.7	0	109.3
152	T	46.1	Very low	48.1	Very low	124 Å²	124	149.5 Å²	149.5	76%	0.761	83%	0.831	S	S	*	*			trans	84	119.1	165.2	67	0	0	0	0	114.9
153	N	47.5	Very low	48.3	Very low	147 Å²	147	148.5 Å²	148.5	79%	0.786	83%	0.831	S	S	*	*				-157.7	139.5	64.7	-94.7	-23.5	0	0	0	113.3
154	K	47.5	Very low	48.2	Very low	213 Å²	213	145.6 Å²	145.6	93%	0.926	82%	0.82	S	S	*	*			trans	-78.7	133	160.6	-74.4	177	174.7	178.9	0	107.8
155	V	51.5	Low	47.9	Very low	131 Å²	131	147.5 Å²	147.5	79%	0.794	83%	0.826	S	S	*	*			trans	-125	118.4	159.8	-177	0	0	0	0	107
156	K	49.1	Very low	48.2	Very low	204 Å²	204	153.8 Å²	153.8	89%	0.887	82%	0.824	S	S	*	*			trans	-85.8	127.3	160.1	-79.1	-178.3	172	-175.9	0	106.6
157	A	51.9	Low	48.6	Very low	88 Å²	88	155.9 Å²	155.9	73%	0.727	84%	0.844	S	S	*	*			trans	-135.1	98.4	158.2	0	0	0	0	0	104.1
158	V	54	Low	48.7	Very low	135 Å²	135	153.3 Å²	153.3	82%	0.818	84%	0.841	S	S	*	*				67.1	125.3	88.1	-177.6	0	0	0	0	111.7
159	D	46.9	Very low	48.6	Very low	149 Å²	149	154.1 Å²	154.1	80%	0.797	84%	0.841	S	S	*	*			trans	-53	142.9	-169.5	-53.4	-65.2	0	0	0	115.6
160	A	46.6	Very low	49	Very low	106 Å²	106	158.2 Å²	158.2	88%	0.876	84%	0.842	S	S	*	*			trans	-140.4	74.6	154.3	0	0	0	0	0	108.3
161	V	49.9	Very low	49.3	Very low	142 Å²	142	154.7 Å²	154.7	86%	0.861	84%	0.836	S	S	*	*			trans	-86.8	127.7	158.5	173	0	0	0	0	106.9
162	G	44.1	Very low	49.2	Very low	65 Å²	65	152.3 Å²	152.3	67%	0.67	84%	0.835	S	S	*	*			trans	91.4	112.2	169.3	0	0	0	0	0	112.4
163	M	51.2	Low	49.4	Very low	171 Å²	171	154.2 Å²	154.2	84%	0.842	84%	0.84	S	S	*	*				-168.7	116.4	126.4	-104.6	-175.7	173.6	0	0	111
164	H	48.5	Very low	49.6	Very low	132 Å²	132	154.7 Å²	154.7	61%	0.611	84%	0.844	S	S	*	*			trans	81	94.5	147.1	-65.5	-64.5	0	0	0	119.3	R166	H164-R166 HydrophobicContact CB-CG 4.42Å; H164-R166 PolarHBondContact O-N 3.45Å
165	D	44.9	Very low	49.7	Very low	170 Å²	170	150.2 Å²	150.2	91%	0.909	84%	0.838	S	S	*	*				-34.2	120.5	121.3	-76.1	-34.9	0	0	0	110.5
166	R	52.3	Low	49.6	Very low	211 Å²	211	151.8 Å²	151.8	80%	0.796	84%	0.842	S	S	*	*			trans	-144.8	108.2	160.5	-92.1	-170.1	179.4	-168	-0.1	109.3	H164	H164-R166 HydrophobicContact CB-CG 4.42Å; H164-R166 PolarHBondContact O-N 3.45Å
167	L	55.8	Low	49.6	Very low	249 Å²	249	147.1 Å²	147.1	100%	1.304	84%	0.837	S	S	*	*			trans	74.9	0	157.8	-65	162.6	0	0	0	117.6

Retrieved 167 of 167 residues in 59.9 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).