A0A5K4F5N9_SCHMA Loading...

G domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5N9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 130 aa.

						>A0A5K4F5N9_SCHMA|A0A5K4F5N9
MSFGRLCSFSVVKLFLRISNSTDLILRPLGTNATAEQAICQSQVQSVPNTKREYLENLLLQQPLSSPDARVLKVAVIGCPNSGKSSLVNMLTKWKVCAVSGKAHTTRSKQTATYFQDNVQLVSLCVNKGF
					

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	38.5	Very low	48.7	Very low	234 Å²	234	133.7 Å²	133.7	100%	1.153	73%	0.732	S	S	*	*				0	89.4	0	-74.3	165.4	155.8	0	0	108.6
2	S	38	Very low	50.5	Low	119 Å²	119	126.3 Å²	126.3	83%	0.832	69%	0.693	S	S	*	*			trans	-94.3	101.2	166.2	-171.4	0	0	0	0	105.3	G4	S2-G4 PolarHBondContact O-N 2.91Å
3	F	45.6	Very low	52.1	Low	177 Å²	177	126.5 Å²	126.5	78%	0.776	68%	0.683	S	S	*	*			trans	-64.8	85.2	162.9	-98.4	-95.7	0	0	0	105.6	R5 L6	F3-R5 PolarHBondContact O-N 2.87Å; F3-L6 HydrophobicContact CD1-CD1 3.69Å; F3-L6 HydrophobicContact CE1-CD1 4.25Å
4	G	41	Very low	53.7	Low	60 Å²	60	122.8 Å²	122.8	62%	0.619	66%	0.662	S	S	*	*			trans	-52.5	110.5	170.3	0	0	0	0	0	106.3	S2 L6	S2-G4 PolarHBondContact O-N 2.91Å; G4-L6 PolarHBondContact O-N 3.13Å
5	R	43.6	Very low	55.2	Low	238 Å²	238	121.5 Å²	121.5	90%	0.898	65%	0.648	S	S	*	*			trans	4.2	94.2	169.9	-60	-179.9	-167.1	-164.1	2.6	110.9	F3 C7	F3-R5 PolarHBondContact O-N 2.87Å; R5-C7 PolarHBondContact O-N 3.35Å
6	L	44.6	Very low	56.4	Low	109 Å²	109	120.4 Å²	120.4	57%	0.571	64%	0.642	S	S	*	*			trans	-38.6	116.7	165.1	-102.5	73.5	0	0	0	105.8	F3 G4 S8 F9	F3-L6 HydrophobicContact CD1-CD1 3.69Å; F3-L6 HydrophobicContact CE1-CD1 4.25Å; G4-L6 PolarHBondContact O-N 3.13Å; L6-S8 PolarHBondContact O-N 3.22Å; L6-F9 HydrophobicContact CD2-CE2 4.08Å
7	C	44.3	Very low	57.6	Low	122 Å²	122	122.7 Å²	122.7	82%	0.824	64%	0.639	S	S	*	*			trans	-42.3	110.2	172.3	-71.3	0	0	0	0	105.8	R5 F9	R5-C7 PolarHBondContact O-N 3.35Å; C7-F9 PolarHBondContact O-N 3.43Å
8	S	51.4	Low	58.3	Low	98 Å²	98	122.1 Å²	122.1	69%	0.685	64%	0.636	S	S	*	*			trans	-43.4	111.5	179.7	179.2	0	0	0	0	105.6	L6 S10	L6-S8 PolarHBondContact O-N 3.22Å; S8-S10 PolarHBondContact O-N 3.04Å
9	F	57.7	Low	59	Low	160 Å²	160	115.8 Å²	115.8	70%	0.702	60%	0.603	S	S	*	*			trans	-47.1	113.6	-178.8	-77.8	-86.8	0	0	0	105	L6 C7 V11	L6-F9 HydrophobicContact CD2-CE2 4.08Å; C7-F9 PolarHBondContact O-N 3.43Å; F9-V11 HydrophobicContact CB-CG2 4.14Å; F9-V11 WeakPolarHBondContact O-CG2 3.48Å; F9-V11 PolarHBondContact O-N 2.96Å
10	S	61.2	Low	59.4	Low	58 Å²	58	113.9 Å²	113.9	41%	0.406	59%	0.594	S	S	.	*			trans	-75.8	81.7	-175	-134.3	0	0	0	0	106	S8 V12 S82	S8-S10 PolarHBondContact O-N 3.04Å; S10-V12 PolarHBondContact O-N 3.48Å; S10-V12 VanDerWaalsContact O-N 3.13Å; S10-S82 WeakPolarHBondContact OG-CA 3.4Å; S10-S82 WeakPolarHBondContact OG-CB 3.32Å
11	V	69.6	Low	59.3	Low	96 Å²	96	109.2 Å²	109.2	58%	0.582	57%	0.571	S	S	*	*			trans	-71.8	113.7	-175	-179.2	0	0	0	0	106.8	F9 G78	F9-V11 HydrophobicContact CB-CG2 4.14Å; F9-V11 WeakPolarHBondContact O-CG2 3.48Å; F9-V11 PolarHBondContact O-N 2.96Å; V11-G78 WeakPolarHBondContact O-CA 3.4Å
12	V	70.1	Confident	60.2	Low	44 Å²	44	103 Å²	103	27%	0.267	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.8	165.3	179.4	0	0	0	0	107.1	S10 V76 I77 S82 K84 L87	S10-V12 PolarHBondContact O-N 3.48Å; S10-V12 VanDerWaalsContact O-N 3.13Å; V12-V76 HydrophobicContact CG1-CG1 3.37Å; V12-I77 CarbonylContact C-O 3.51Å; V12-I77 WeakPolarHBondContact CA-O 3.49Å; V12-S82 WeakPolarHBondContact CG2-O 3.32Å; V12-S82 VanDerWaalsContact CG2-OG 3.3Å; V12-S82 WeakPolarHBondContact CG2-OG 3.38Å; V12-K84 HydrophobicContact CG2-CG 4.37Å; V12-L87 HydrophobicContact CG1-CD2 3.77Å
13	K	72.3	Confident	61	Low	129 Å²	129	102.1 Å²	102.1	56%	0.561	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	125	174.9	-161.2	158.6	-174.2	169	0	109.6	F15 I77	K13-F15 HydrophobicContact CB-CE2 4.11Å; K13-F15 HydrophobicContact CD-CE2 3.95Å; K13-F15 HydrophobicContact CD-CZ 3.86Å; K13-F15 HydrophobicContact CG-CD2 4.33Å; K13-F15 HydrophobicContact CG-CE2 3.65Å; K13-F15 HydrophobicContact CG-CZ 4Å; K13-I77 PolarHBondContact N-O 3.04Å; K13-I77 PolarHBondContact O-N 3.48Å
14	L	74.2	Confident	61.1	Low	75 Å²	75	98.1 Å²	98.1	39%	0.393	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.3	179.1	-164.9	64.9	0	0	0	109.3	L16 V74 V76	L14-L16 HydrophobicContact CB-CD1 4.47Å; L14-L16 HydrophobicContact CD2-CD1 3.83Å; L14-L16 HydrophobicContact CD2-CG 4.48Å; L14-L16 HydrophobicContact CG-CD1 3.81Å; L14-L16 HydrophobicContact CG-CG 4.37Å; L14-V74 HydrophobicContact CD1-CG1 3.27Å; L14-V74 HydrophobicContact CG-CG1 4.05Å; L14-V76 HydrophobicContact CD1-CG2 3.68Å
15	F	75.7	Confident	61.4	Low	103 Å²	103	99.8 Å²	99.8	45%	0.452	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.4	171.7	-67.6	-95	0	0	0	108.8	K13 V74 A75 I77	K13-F15 HydrophobicContact CB-CE2 4.11Å; K13-F15 HydrophobicContact CD-CE2 3.95Å; K13-F15 HydrophobicContact CD-CZ 3.86Å; K13-F15 HydrophobicContact CG-CD2 4.33Å; K13-F15 HydrophobicContact CG-CE2 3.65Å; K13-F15 HydrophobicContact CG-CZ 4Å; F15-V74 CarbonylContact O-C 3.6Å; F15-V74 WeakPolarHBondContact O-CA 3.47Å; F15-A75 HydrophobicContact CB-CB 4.28Å; F15-A75 PolarHBondContact N-O 2.87Å; F15-A75 PolarHBondContact O-N 3.1Å; F15-I77 HydrophobicContact CD2-CD1 3.96Å; F15-I77 HydrophobicContact CE2-CD1 3.92Å
16	L	74.7	Confident	61.3	Low	105 Å²	105	96.3 Å²	96.3	55%	0.55	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.5	178.4	-65.4	104.2	0	0	0	109.5	L14 L72 V74	L14-L16 HydrophobicContact CB-CD1 4.47Å; L14-L16 HydrophobicContact CD2-CD1 3.83Å; L14-L16 HydrophobicContact CD2-CG 4.48Å; L14-L16 HydrophobicContact CG-CD1 3.81Å; L14-L16 HydrophobicContact CG-CG 4.37Å; L16-L72 HydrophobicContact CB-CD1 4.17Å; L16-L72 HydrophobicContact CD2-CD1 3.95Å; L16-L72 HydrophobicContact CD2-CD2 3.93Å; L16-L72 HydrophobicContact CD2-CG 4.21Å; L16-V74 HydrophobicContact CD2-CG2 4.15Å; L16-V74 HydrophobicContact CG-CG2 4.35Å
17	R	76.5	Confident	60.9	Low	159 Å²	159	102.1 Å²	102.1	60%	0.6	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.2	170	175.3	177	175.5	150	2.3	108.7	L72 K73	R17-L72 CarbonylContact O-C 3.57Å; R17-K73 HydrophobicContact CB-CB 4.33Å; R17-K73 PolarHBondContact N-O 2.86Å; R17-K73 PolarHBondContact O-N 3.44Å
18	I	71.2	Confident	60.7	Low	112 Å²	112	101.5 Å²	101.5	57%	0.574	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.4	170.6	-60.8	164.8	0	0	0	107.6	R70 L72	I18-R70 HydrophobicContact CG2-CB 4.49Å; I18-L72 HydrophobicContact CD1-CD1 4.37Å; I18-L72 HydrophobicContact CG1-CD1 3.41Å; I18-L72 VanDerWaalsContact CG1-CD1 3.41Å
19	S	70.5	Confident	60	Low	3 Å²	3	105.5 Å²	105.5	2%	0.021	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.6	168.2	-86.6	0	0	0	0	108	D23 R70 V71	S19-D23 WeakPolarHBondContact CB-OD2 3.29Å; S19-D23 PolarHBondContact OG-OD2 3.42Å; S19-R70 CarbonylContact O-C 3.52Å; S19-R70 WeakPolarHBondContact O-CA 3.27Å; S19-V71 PolarHBondContact N-O 2.85Å; S19-V71 PolarHBondContact O-N 2.97Å
20	N	66.9	Low	58.9	Low	76 Å²	76	100.9 Å²	100.9	41%	0.406	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	161.7	173.5	-76.7	-5.1	0	0	0	110.6	T22 D23	N20-T22 PolarHBondContact O-N 3.16Å; N20-D23 WeakPolarHBondContact O-CB 3.45Å; N20-D23 PolarHBondContact O-N 2.81Å
21	S	58.8	Low	57.9	Low	17 Å²	17	104.5 Å²	104.5	12%	0.119	55%	0.55	C	S	.	.	H	α-helix	trans	-47.3	-33	173.6	-75.8	0	0	0	0	113.6	D23 L24 A69	S21-D23 PolarHBondContact O-N 3.31Å; S21-L24 PolarHBondContact O-N 3.14Å; S21-L24 VanDerWaalsContact O-N 3.1Å; S21-A69 WeakPolarHBondContact CB-O 3.31Å; S21-A69 PolarHBondContact N-O 2.96Å; S21-A69 VanDerWaalsContact OG-CB 3.27Å; S21-A69 WeakPolarHBondContact OG-CB 3.45Å; S21-A69 PolarHBondContact OG-O 2.87Å
22	T	55.6	Low	56.4	Low	102 Å²	102	108.2 Å²	108.2	63%	0.626	57%	0.566	S	S	*	*	H	α-helix	trans	-61.8	-26.8	177.4	57.5	0	0	0	0	114	N20	N20-T22 PolarHBondContact O-N 3.16Å
23	D	55.2	Low	55	Low	102 Å²	102	110.4 Å²	110.4	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-78	-21.3	176.9	-82.1	-17.7	0	0	0	112.8	S19 N20 S21	S19-D23 WeakPolarHBondContact CB-OD2 3.29Å; S19-D23 PolarHBondContact OG-OD2 3.42Å; N20-D23 WeakPolarHBondContact O-CB 3.45Å; N20-D23 PolarHBondContact O-N 2.81Å; S21-D23 PolarHBondContact O-N 3.31Å
24	L	48.8	Very low	53.3	Low	92 Å²	92	110 Å²	110	48%	0.482	60%	0.597	S	S	.	*	H	α-helix	trans	-84.4	-19.3	178.2	-64	-174	0	0	0	112.7	S21 L26 V71	S21-L24 PolarHBondContact O-N 3.14Å; S21-L24 VanDerWaalsContact O-N 3.1Å; L24-L26 PolarHBondContact O-N 2.81Å; L24-V71 HydrophobicContact CD1-CG2 3.37Å; L24-V71 HydrophobicContact CD2-CG2 4.33Å; L24-V71 HydrophobicContact CG-CG2 4.05Å
25	I	47.3	Very low	51.8	Low	96 Å²	96	111.5 Å²	111.5	49%	0.492	62%	0.62	S	S	.	*	S	Bend	trans	-71.3	103.2	174.6	-57	172.6	0	0	0	106.1	R27	I25-R27 VanDerWaalsContact C-N 3.31Å; I25-R27 PolarHBondContact O-N 2.99Å
26	L	41.3	Very low	50.1	Low	165 Å²	165	114.4 Å²	114.4	86%	0.864	64%	0.635	S	S	*	*			trans	-47	106.5	155.1	-89.9	166.3	0	0	0	105.7	L24 P28	L24-L26 PolarHBondContact O-N 2.81Å; L26-P28 WeakPolarHBondContact O-CD 3.36Å
27	R	36.4	Very low	48.4	Very low	231 Å²	231	118.7 Å²	118.7	87%	0.872	65%	0.653	S	S	*	*			trans	-46.7	114.6	179.9	-72.9	-178	169.9	-173.8	-4.2	107.4	I25 L29	I25-R27 VanDerWaalsContact C-N 3.31Å; I25-R27 PolarHBondContact O-N 2.99Å; R27-L29 PolarHBondContact O-N 3.31Å; R27-L29 VanDerWaalsContact O-N 3.09Å
28	P	40.1	Very low	46.5	Very low	109 Å²	109	116 Å²	116	71%	0.708	66%	0.664	S	S	*	*			trans	-59.1	122.2	170.2	-19.7	32.3	0	0	0	106.2	L26 G30	L26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-G30 PolarHBondContact O-N 2.87Å
29	L	35.2	Very low	44.8	Very low	181 Å²	181	117.9 Å²	117.9	95%	0.948	67%	0.674	S	S	*	*			trans	-58.3	108.1	173.7	-142.6	105.1	0	0	0	106.2	R27	R27-L29 PolarHBondContact O-N 3.31Å; R27-L29 VanDerWaalsContact O-N 3.09Å
30	G	35.5	Very low	42.9	Very low	64 Å²	64	123 Å²	123	66%	0.66	71%	0.708	S	S	*	*			trans	19.9	114.4	173.7	0	0	0	0	0	118.7	P28	P28-G30 PolarHBondContact O-N 2.87Å
31	T	39.7	Very low	41.6	Very low	134 Å²	134	126.6 Å²	126.6	82%	0.822	72%	0.723	S	S	*	*			trans	-145.7	133.1	130.1	44.3	0	0	0	0	108.9	A33	T31-A33 PolarHBondContact O-N 3.08Å; T31-A33 VanDerWaalsContact O-N 3.13Å
32	N	38.6	Very low	40.8	Very low	173 Å²	173	131.9 Å²	131.9	93%	0.925	76%	0.76	S	S	*	*			trans	-68.3	102.6	175.7	-58.8	-48.3	0	0	0	108.3
33	A	40.8	Very low	40.1	Very low	91 Å²	91	133.2 Å²	133.2	75%	0.752	76%	0.759	S	S	*	*			trans	-124.1	97.9	166.6	0	0	0	0	0	107.7	T31 A35	T31-A33 PolarHBondContact O-N 3.08Å; T31-A33 VanDerWaalsContact O-N 3.13Å; A33-A35 PolarHBondContact O-N 2.97Å
34	T	37.3	Very low	39.4	Very low	120 Å²	120	135 Å²	135	74%	0.736	77%	0.773	S	S	*	*			trans	-42.8	122.5	174.9	-43.6	0	0	0	0	110.3	E36	T34-E36 HydrophobicContact CG2-CB 4.43Å; T34-E36 PolarHBondContact O-N 3.36Å
35	A	41.3	Very low	39.5	Very low	106 Å²	106	138.8 Å²	138.8	88%	0.876	79%	0.788	S	S	*	*	S	Bend	trans	-67.3	75.5	174.4	0	0	0	0	0	110.1	A33	A33-A35 PolarHBondContact O-N 2.97Å
36	E	39.4	Very low	39.9	Very low	164 Å²	164	137.8 Å²	137.8	77%	0.766	79%	0.79	S	S	*	*			trans	-151.7	39	178	-116.2	-178.1	160.8	0	0	112.8	T34	T34-E36 HydrophobicContact CG2-CB 4.43Å; T34-E36 PolarHBondContact O-N 3.36Å
37	Q	39.7	Very low	41.1	Very low	195 Å²	195	135.8 Å²	135.8	91%	0.911	78%	0.784	S	S	*	*			trans	-142.1	58	162.7	-68.1	-171	-1.2	0	0	110.6
38	A	37	Very low	42.5	Very low	102 Å²	102	126.9 Å²	126.9	84%	0.843	76%	0.756	S	S	*	*			trans	-107.4	53.3	163.4	0	0	0	0	0	109.3
39	I	34.7	Very low	44	Very low	152 Å²	152	128.7 Å²	128.7	78%	0.779	76%	0.76	S	S	*	*	S	Bend	trans	-136.9	119.5	170.3	-60.2	-178.9	0	0	0	108.5
40	C	31	Very low	46.1	Very low	110 Å²	110	124 Å²	124	74%	0.743	74%	0.739	S	S	*	*			trans	54.7	102.8	162.7	-71.3	0	0	0	0	117.1
41	Q	39.9	Very low	48.3	Very low	153 Å²	153	129.9 Å²	129.9	72%	0.715	75%	0.747	S	S	*	*				-166.7	96.2	128.2	-107.7	167.2	48	0	0	111.3	Q43	Q41-Q43 HydrophobicContact CB-CG 3.6Å; Q41-Q43 HydrophobicContact CG-CG 3.82Å; Q41-Q43 PolarHBondContact O-N 3.33Å
42	S	42.8	Very low	50.3	Low	127 Å²	127	133.4 Å²	133.4	89%	0.888	75%	0.745	S	S	*	*			trans	-48.2	89.4	145.4	44.8	0	0	0	0	109.4
43	Q	40	Very low	52.2	Low	131 Å²	131	128.1 Å²	128.1	61%	0.612	72%	0.715	S	S	*	*			trans	-121.3	112.1	175.7	-69.3	-85.3	-0.3	0	0	107.3	Q41 Q45	Q41-Q43 HydrophobicContact CB-CG 3.6Å; Q41-Q43 HydrophobicContact CG-CG 3.82Å; Q41-Q43 PolarHBondContact O-N 3.33Å; Q43-Q45 PolarHBondContact O-N 3.1Å; Q43-Q45 VanDerWaalsContact O-N 3.13Å
44	V	41.2	Very low	54.2	Low	139 Å²	139	130 Å²	130	84%	0.842	70%	0.703	S	S	*	*			trans	-39.4	113	169.2	177	0	0	0	0	109	S46	V44-S46 PolarHBondContact O-N 2.98Å
45	Q	50.2	Low	56.2	Low	171 Å²	171	129.3 Å²	129.3	80%	0.799	70%	0.695	S	S	*	*			trans	-64.6	98.7	173.6	-78.3	-178.1	-19.7	0	0	107.9	Q43 V47	Q43-Q45 PolarHBondContact O-N 3.1Å; Q43-Q45 VanDerWaalsContact O-N 3.13Å; Q45-V47 PolarHBondContact O-N 3.19Å
46	S	55.5	Low	58.1	Low	76 Å²	76	130 Å²	130	53%	0.531	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-57.7	129.3	165.6	48	0	0	0	0	107.9	V44 P48	V44-S46 PolarHBondContact O-N 2.98Å; S46-P48 VanDerWaalsContact O-N 3.15Å
47	V	66.1	Low	60	Low	122 Å²	122	125 Å²	125	74%	0.739	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-53.4	122.5	174.9	-152.7	0	0	0	0	107.4	Q45 N49	Q45-V47 PolarHBondContact O-N 3.19Å; V47-N49 PolarHBondContact O-N 2.88Å; V47-N49 PolarHBondContact O-ND2 2.93Å
48	P	66.4	Low	61.7	Low	44 Å²	44	119.3 Å²	119.3	29%	0.286	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-63.7	125.1	-173.4	21.6	-31.4	0	0	0	109.9	S46 E53 Y54	S46-P48 VanDerWaalsContact O-N 3.15Å; P48-E53 WeakPolarHBondContact CA-OE2 3.22Å; P48-E53 HydrophobicContact CB-CB 4.01Å; P48-E53 HydrophobicContact CB-CG 3.83Å; P48-Y54 HydrophobicContact CG-CD2 3.82Å; P48-Y54 HydrophobicContact CG-CG 4.45Å
49	N	72.6	Confident	63.4	Low	147 Å²	147	121.7 Å²	121.7	79%	0.786	63%	0.631	S	S	*	*			trans	-86.5	-15.2	-173.6	-68.3	-69.3	0	0	0	112.1	V47 E53	V47-N49 PolarHBondContact O-N 2.88Å; V47-N49 PolarHBondContact O-ND2 2.93Å; N49-E53 PolarHBondContact N-OE2 3.13Å
50	T	78.5	Confident	65	Low	84 Å²	84	120.1 Å²	120.1	52%	0.515	62%	0.624	S	S	.	*	S	Bend	trans	-125.9	144.8	-177.3	-53.8	0	0	0	0	111.4	R52 E53 Y54	T50-R52 HydrophobicContact CG2-CB 4.38Å; T50-R52 PolarHBondContact O-N 3.27Å; T50-R52 VanDerWaalsContact O-N 3.16Å; T50-E53 WeakPolarHBondContact O-CB 3.29Å; T50-E53 PolarHBondContact O-N 2.86Å; T50-E53 VanDerWaalsContact O-N 3.14Å; T50-Y54 PolarHBondContact O-N 3.13Å; T50-Y54 VanDerWaalsContact O-N 3.1Å
51	K	81.5	Confident	66.4	Low	186 Å²	186	120.3 Å²	120.3	81%	0.809	61%	0.614	S	S	*	*	H	α-helix	trans	-53.4	-35.8	176.3	-74.6	-176.2	177.3	179	0	113.7	L55	K51-L55 WeakPolarHBondContact O-CG 3.38Å; K51-L55 PolarHBondContact O-N 3.36Å; K51-L55 VanDerWaalsContact O-N 3.1Å
52	R	81.2	Confident	67.4	Low	208 Å²	208	120.9 Å²	120.9	79%	0.785	62%	0.617	S	S	*	*	H	α-helix	trans	-64	-48.1	178	-76.5	-168.8	169.7	91.5	0.6	111.9	T50 Y54 L55 E56	T50-R52 HydrophobicContact CG2-CB 4.38Å; T50-R52 PolarHBondContact O-N 3.27Å; T50-R52 VanDerWaalsContact O-N 3.16Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 PolarHBondContact O-N 3.13Å; R52-L55 PolarHBondContact O-N 2.83Å; R52-E56 WeakPolarHBondContact O-CB 3.23Å; R52-E56 PolarHBondContact O-N 3.1Å
53	E	80.2	Confident	68.1	Low	62 Å²	62	119.4 Å²	119.4	29%	0.29	60%	0.604	S	S	.	*	H	α-helix	trans	-62.8	-38.5	178.3	-168.8	-173.9	-175	0	0	111.4	P48 N49 T50 E56 N57	P48-E53 WeakPolarHBondContact CA-OE2 3.22Å; P48-E53 HydrophobicContact CB-CB 4.01Å; P48-E53 HydrophobicContact CB-CG 3.83Å; N49-E53 PolarHBondContact N-OE2 3.13Å; T50-E53 WeakPolarHBondContact O-CB 3.29Å; T50-E53 PolarHBondContact O-N 2.86Å; T50-E53 VanDerWaalsContact O-N 3.14Å; E53-E56 PolarHBondContact O-N 2.78Å; E53-N57 WeakPolarHBondContact O-CB 3.48Å; E53-N57 VanDerWaalsContact O-CG 3.27Å; E53-N57 PolarHBondContact O-N 3.01Å; E53-N57 PolarHBondContact O-ND2 2.92Å
54	Y	81	Confident	69	Low	131 Å²	131	121 Å²	121	51%	0.514	62%	0.616	S	S	.	*	H	α-helix	trans	-62.6	-44.3	173.5	-179.1	-99.5	0	0	0	112.5	P48 T50 R52 N57 L58	P48-Y54 HydrophobicContact CG-CD2 3.82Å; P48-Y54 HydrophobicContact CG-CG 4.45Å; T50-Y54 PolarHBondContact O-N 3.13Å; T50-Y54 VanDerWaalsContact O-N 3.1Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 PolarHBondContact O-N 3.13Å; Y54-N57 PolarHBondContact O-N 2.77Å; Y54-L58 HydrophobicContact CD1-CD1 3.76Å; Y54-L58 HydrophobicContact CE1-CD1 3.21Å; Y54-L58 HydrophobicContact CE1-CG 4.17Å; Y54-L58 PolarHBondContact O-N 2.78Å
55	L	80.3	Confident	69.9	Low	106 Å²	106	117.3 Å²	117.3	56%	0.555	60%	0.596	S	S	*	*	H	α-helix	trans	-65.6	-41.1	176.7	-71.2	173.3	0	0	0	111.7	K51 R52 L58 L59	K51-L55 WeakPolarHBondContact O-CG 3.38Å; K51-L55 PolarHBondContact O-N 3.36Å; K51-L55 VanDerWaalsContact O-N 3.1Å; R52-L55 PolarHBondContact O-N 2.83Å; L55-L58 PolarHBondContact O-N 2.92Å; L55-L59 VanDerWaalsContact O-CG 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 2.72Å
56	E	81.9	Confident	70.5	Confident	120 Å²	120	111.2 Å²	111.2	56%	0.561	57%	0.572	S	S	*	*	H	α-helix	trans	-62.9	-46.6	176	-172.4	173	-171.3	0	0	111.2	R52 E53 L58 L59 L60	R52-E56 WeakPolarHBondContact O-CB 3.23Å; R52-E56 PolarHBondContact O-N 3.1Å; E53-E56 PolarHBondContact O-N 2.78Å; E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 3.02Å; E56-L59 PolarHBondContact O-N 3.1Å; E56-L59 VanDerWaalsContact O-N 3.08Å; E56-L60 HydrophobicContact CG-CD1 4.15Å; E56-L60 WeakPolarHBondContact O-CB 3.27Å; E56-L60 VanDerWaalsContact O-CG 3.29Å; E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 2.94Å
57	N	78.5	Confident	70.9	Confident	60 Å²	60	113.3 Å²	113.3	32%	0.321	58%	0.584	S	S	.	*	H	α-helix	trans	-59	-40.9	174.5	-77.6	-44.2	0	0	0	112.4	E53 Y54 L59 L60 Q61	E53-N57 WeakPolarHBondContact O-CB 3.48Å; E53-N57 VanDerWaalsContact O-CG 3.27Å; E53-N57 PolarHBondContact O-N 3.01Å; E53-N57 PolarHBondContact O-ND2 2.92Å; Y54-N57 PolarHBondContact O-N 2.77Å; N57-L59 VanDerWaalsContact C-N 3.34Å; N57-L60 PolarHBondContact O-N 3.09Å; N57-Q61 WeakPolarHBondContact O-CG 3.15Å; N57-Q61 PolarHBondContact O-N 2.79Å
58	L	75.2	Confident	71.1	Confident	74 Å²	74	113 Å²	113	39%	0.387	58%	0.578	S	S	.	*	H	α-helix	trans	-64.6	-36.1	174.6	-86.9	170.3	0	0	0	112.9	Y54 L55 E56	Y54-L58 HydrophobicContact CD1-CD1 3.76Å; Y54-L58 HydrophobicContact CE1-CD1 3.21Å; Y54-L58 HydrophobicContact CE1-CG 4.17Å; Y54-L58 PolarHBondContact O-N 2.78Å; L55-L58 PolarHBondContact O-N 2.92Å; E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 3.02Å
59	L	72.5	Confident	71.1	Confident	152 Å²	152	111.6 Å²	111.6	80%	0.796	57%	0.571	S	S	*	*	H	α-helix	trans	-72.8	-31.6	175.9	-69.1	171.7	0	0	0	112	L55 E56 N57	L55-L59 VanDerWaalsContact O-CG 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 2.72Å; E56-L59 PolarHBondContact O-N 3.1Å; E56-L59 VanDerWaalsContact O-N 3.08Å; N57-L59 VanDerWaalsContact C-N 3.34Å
60	L	68.7	Low	71.1	Confident	119 Å²	119	110.7 Å²	110.7	62%	0.623	56%	0.556	S	S	*	*	H	α-helix	trans	-79.5	-17.9	177.2	-69.6	176.6	0	0	0	113.6	E56 N57 Q62	E56-L60 HydrophobicContact CG-CD1 4.15Å; E56-L60 WeakPolarHBondContact O-CB 3.27Å; E56-L60 VanDerWaalsContact O-CG 3.29Å; E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 2.94Å; N57-L60 PolarHBondContact O-N 3.09Å; L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 PolarHBondContact O-N 2.81Å
61	Q	60.8	Low	71	Confident	114 Å²	114	107 Å²	107	53%	0.533	53%	0.533	S	S	.	.	S	Bend	trans	-61.8	96.7	170.6	-79.1	178.5	1.8	0	0	108.9	N57	N57-Q61 WeakPolarHBondContact O-CG 3.15Å; N57-Q61 PolarHBondContact O-N 2.79Å
62	Q	59.9	Low	70.6	Confident	166 Å²	166	99.4 Å²	99.4	78%	0.776	50%	0.502	S	S	*	.			trans	-54.9	136.8	168.2	-64.7	-174.6	26.2	0	0	107.8	L60 L64	L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 PolarHBondContact O-N 2.81Å; Q62-L64 PolarHBondContact O-N 2.75Å; Q62-L64 VanDerWaalsContact O-N 3.13Å
63	P	57.8	Low	70.4	Confident	96 Å²	96	94 Å²	94	62%	0.623	48%	0.484	S	S	*	.			trans	-54.1	127.7	178.5	21.6	-31	0	0	0	108.4	S65	P63-S65 PolarHBondContact O-N 2.89Å
64	L	59.2	Low	70.1	Confident	165 Å²	165	91.3 Å²	91.3	86%	0.864	47%	0.472	S	S	*	.	S	Bend	trans	-63.9	9.3	-176.4	-66	-61.8	0	0	0	113.1	Q62	Q62-L64 PolarHBondContact O-N 2.75Å; Q62-L64 VanDerWaalsContact O-N 3.13Å
65	S	59.2	Low	69.8	Low	61 Å²	61	86.3 Å²	86.3	43%	0.427	46%	0.458	S	S	.	.	S	Bend	trans	-73.8	130	172.4	54.5	0	0	0	0	109.4	P63	P63-S65 PolarHBondContact O-N 2.89Å
66	S	62.9	Low	69.6	Low	42 Å²	42	81.4 Å²	81.4	29%	0.294	43%	0.432	S	S	.	.			trans	-49.4	147.5	169.7	53.7	0	0	0	0	110.7	D68 A69 N118	S66-D68 PolarHBondContact O-N 3.09Å; S66-D68 VanDerWaalsContact O-N 3.13Å; S66-A69 WeakPolarHBondContact O-CB 3.42Å; S66-A69 PolarHBondContact O-N 3.25Å; S66-A69 PolarHBondContact OG-N 3.3Å; S66-N118 PolarHBondContact OG-OD1 3.33Å
67	P	65.6	Low	69.3	Low	120 Å²	120	80.4 Å²	80.4	78%	0.779	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.4	173.2	22.6	-32.1	0	0	0	112	A69	P67-A69 VanDerWaalsContact C-N 3.33Å
68	D	69	Low	69.2	Low	115 Å²	115	78.7 Å²	78.7	62%	0.615	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.5	173.4	-67.9	-42.2	0	0	0	114.7	S66 R70	S66-D68 PolarHBondContact O-N 3.09Å; S66-D68 VanDerWaalsContact O-N 3.13Å; D68-R70 WeakPolarHBondContact O-CG 3.32Å; D68-R70 PolarHBondContact O-N 2.97Å
69	A	66.9	Low	69.3	Low	16 Å²	16	78 Å²	78	13%	0.132	43%	0.427	C	S	.	.			trans	-60.2	135.5	177.9	0	0	0	0	0	110.6	S21 S66 P67	S21-A69 WeakPolarHBondContact CB-O 3.31Å; S21-A69 PolarHBondContact N-O 2.96Å; S21-A69 VanDerWaalsContact OG-CB 3.27Å; S21-A69 WeakPolarHBondContact OG-CB 3.45Å; S21-A69 PolarHBondContact OG-O 2.87Å; S66-A69 WeakPolarHBondContact O-CB 3.42Å; S66-A69 PolarHBondContact O-N 3.25Å; S66-A69 PolarHBondContact OG-N 3.3Å; P67-A69 VanDerWaalsContact C-N 3.33Å
70	R	73.2	Confident	69.1	Low	127 Å²	127	74.6 Å²	74.6	48%	0.479	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.4	-179.6	-56.6	-172.7	-175.2	-166.7	-1.4	107.9	I18 S19 D68 N118 V119 Q120	I18-R70 HydrophobicContact CG2-CB 4.49Å; S19-R70 CarbonylContact O-C 3.52Å; S19-R70 WeakPolarHBondContact O-CA 3.27Å; D68-R70 WeakPolarHBondContact O-CG 3.32Å; D68-R70 PolarHBondContact O-N 2.97Å; R70-N118 PolarHBondContact N-O 3.09Å; R70-V119 CarbonylContact O-C 3.5Å; R70-V119 VanDerWaalsContact O-CA 3.23Å; R70-V119 WeakPolarHBondContact O-CA 3.19Å; R70-Q120 PolarHBondContact O-N 3.46Å
71	V	75.4	Confident	69.3	Low	6 Å²	6	74.6 Å²	74.6	4%	0.036	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.6	171.9	-177	0	0	0	0	108	S19 L24 K73 Q120 V122	S19-V71 PolarHBondContact N-O 2.85Å; S19-V71 PolarHBondContact O-N 2.97Å; L24-V71 HydrophobicContact CD1-CG2 3.37Å; L24-V71 HydrophobicContact CD2-CG2 4.33Å; L24-V71 HydrophobicContact CG-CG2 4.05Å; V71-K73 HydrophobicContact CG1-CG 4.17Å; V71-Q120 CarbonylContact C-O 3.58Å; V71-Q120 HydrophobicContact CB-CB 4.49Å; V71-Q120 HydrophobicContact CG1-CB 4.27Å; V71-Q120 HydrophobicContact CG2-CB 4.15Å; V71-V122 HydrophobicContact CG1-CG2 4.1Å
72	L	74.4	Confident	70.1	Confident	28 Å²	28	69.9 Å²	69.9	15%	0.147	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	100.9	171.4	-175.5	69.6	0	0	0	108.5	L16 R17 I18 V74 V119 Q120 L121 V122	L16-L72 HydrophobicContact CB-CD1 4.17Å; L16-L72 HydrophobicContact CD2-CD1 3.95Å; L16-L72 HydrophobicContact CD2-CD2 3.93Å; L16-L72 HydrophobicContact CD2-CG 4.21Å; R17-L72 CarbonylContact O-C 3.57Å; I18-L72 HydrophobicContact CD1-CD1 4.37Å; I18-L72 HydrophobicContact CG1-CD1 3.41Å; I18-L72 VanDerWaalsContact CG1-CD1 3.41Å; L72-V74 HydrophobicContact CD2-CG2 4.02Å; L72-V74 HydrophobicContact CG-CG2 3.79Å; L72-V74 PolarHBondContact O-N 3.04Å; L72-V119 HydrophobicContact CB-CG1 3.4Å; L72-V119 HydrophobicContact CD2-CG1 4.15Å; L72-V119 HydrophobicContact CG-CG1 4.42Å; L72-Q120 CarbonylContact C-O 3.59Å; L72-Q120 PolarHBondContact N-O 3.37Å; L72-Q120 VanDerWaalsContact O-O 3.09Å; L72-L121 HydrophobicContact CD2-CD1 4.45Å; L72-L121 CarbonylContact O-C 3.6Å; L72-L121 VanDerWaalsContact O-CA 3.27Å; L72-L121 WeakPolarHBondContact O-CA 3.47Å; L72-V122 PolarHBondContact O-N 2.81Å
73	K	75.5	Confident	70.9	Confident	93 Å²	93	63.6 Å²	63.6	40%	0.404	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	121	171.2	-66.5	174.8	-178.8	168.1	0	108.3	R17 V71	R17-K73 HydrophobicContact CB-CB 4.33Å; R17-K73 PolarHBondContact N-O 2.86Å; R17-K73 PolarHBondContact O-N 3.44Å; V71-K73 HydrophobicContact CG1-CG 4.17Å
74	V	73.5	Confident	71.9	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.036	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.4	-179.5	-179.3	0	0	0	0	108.9	L14 F15 L16 L72 V76 L121 V122 S123 L124	L14-V74 HydrophobicContact CD1-CG1 3.27Å; L14-V74 HydrophobicContact CG-CG1 4.05Å; F15-V74 CarbonylContact O-C 3.6Å; F15-V74 WeakPolarHBondContact O-CA 3.47Å; L16-V74 HydrophobicContact CD2-CG2 4.15Å; L16-V74 HydrophobicContact CG-CG2 4.35Å; L72-V74 HydrophobicContact CD2-CG2 4.02Å; L72-V74 HydrophobicContact CG-CG2 3.79Å; L72-V74 PolarHBondContact O-N 3.04Å; V74-V76 HydrophobicContact CG1-CG2 4.31Å; V74-L121 HydrophobicContact CB-CD2 4.02Å; V74-L121 HydrophobicContact CB-CG 4.33Å; V74-L121 HydrophobicContact CG2-CD1 4.12Å; V74-L121 HydrophobicContact CG2-CD2 3.94Å; V74-L121 HydrophobicContact CG2-CG 3.69Å; V74-V122 PolarHBondContact N-O 3.43Å; V74-S123 VanDerWaalsContact O-CA 3.26Å; V74-S123 WeakPolarHBondContact O-CA 3.47Å; V74-L124 PolarHBondContact O-N 3.3Å
75	A	76.1	Confident	72.8	Confident	27 Å²	27	52.2 Å²	52.2	22%	0.223	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.4	170.7	0	0	0	0	0	109.6	F15	F15-A75 HydrophobicContact CB-CB 4.28Å; F15-A75 PolarHBondContact N-O 2.87Å; F15-A75 PolarHBondContact O-N 3.1Å
76	V	74.9	Confident	73.8	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	105.8	177.4	-174.7	0	0	0	0	108.2	V12 L14 V74 K84 L87 V88	V12-V76 HydrophobicContact CG1-CG1 3.37Å; L14-V76 HydrophobicContact CD1-CG2 3.68Å; V74-V76 HydrophobicContact CG1-CG2 4.31Å; V76-K84 HydrophobicContact CG1-CB 4.08Å; V76-K84 HydrophobicContact CG1-CG 4.17Å; V76-L87 HydrophobicContact CG1-CD2 3.99Å; V76-V88 HydrophobicContact CB-CG2 4.48Å; V76-V88 HydrophobicContact CG2-CG2 4.01Å
77	I	76.7	Confident	74.6	Confident	99 Å²	99	52.8 Å²	52.8	51%	0.508	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.6	-176.5	-58.5	175	0	0	0	108.9	V12 K13 F15	V12-I77 CarbonylContact C-O 3.51Å; V12-I77 WeakPolarHBondContact CA-O 3.49Å; K13-I77 PolarHBondContact N-O 3.04Å; K13-I77 PolarHBondContact O-N 3.48Å; F15-I77 HydrophobicContact CD2-CD1 3.96Å; F15-I77 HydrophobicContact CE2-CD1 3.92Å
78	G	76.1	Confident	75.2	Confident	24 Å²	24	47.1 Å²	47.1	25%	0.247	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	167	-179.6	0	0	0	0	0	112.5	V11 K84	V11-G78 WeakPolarHBondContact O-CA 3.4Å; G78-K84 PolarHBondContact O-NZ 2.92Å
79	C	76.8	Confident	75.6	Confident	60 Å²	60	42.5 Å²	42.5	41%	0.405	25%	0.247	S	C	.	.			trans	-54.9	156.5	-179	-65.1	0	0	0	0	112.9	N81 S82 K84	C79-N81 PolarHBondContact O-N 2.77Å; C79-S82 WeakPolarHBondContact O-CB 3.39Å; C79-S82 PolarHBondContact O-N 3.03Å; C79-S82 VanDerWaalsContact O-N 3.14Å; C79-S82 PolarHBondContact O-OG 2.78Å; C79-K84 PolarHBondContact O-NZ 3.22Å
80	P	69	Low	76.2	Confident	81 Å²	81	48.6 Å²	48.6	53%	0.526	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	138.7	167.5	-25.2	35.1	0	0	0	110.7	S82	P80-S82 PolarHBondContact O-N 2.84Å
81	N	73.1	Confident	76.3	Confident	118 Å²	118	45.8 Å²	45.8	63%	0.631	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	16.2	-177.9	-51.3	-32	0	0	0	116.1	C79 G83	C79-N81 PolarHBondContact O-N 2.77Å; N81-G83 PolarHBondContact O-N 2.98Å; N81-G83 VanDerWaalsContact O-N 3.08Å
82	S	77.7	Confident	76.4	Confident	16 Å²	16	45.7 Å²	45.7	11%	0.112	27%	0.268	C	S	.	.	S	Bend	trans	-73.1	8	175.7	75.9	0	0	0	0	115.5	S10 V12 C79 P80 K84	S10-S82 WeakPolarHBondContact OG-CA 3.4Å; S10-S82 WeakPolarHBondContact OG-CB 3.32Å; V12-S82 WeakPolarHBondContact CG2-O 3.32Å; V12-S82 VanDerWaalsContact CG2-OG 3.3Å; V12-S82 WeakPolarHBondContact CG2-OG 3.38Å; C79-S82 WeakPolarHBondContact O-CB 3.39Å; C79-S82 PolarHBondContact O-N 3.03Å; C79-S82 VanDerWaalsContact O-N 3.14Å; C79-S82 PolarHBondContact O-OG 2.78Å; P80-S82 PolarHBondContact O-N 2.84Å; S82-K84 VanDerWaalsContact OG-CG 3.23Å; S82-K84 WeakPolarHBondContact OG-CG 3.38Å
83	G	76.1	Confident	76.5	Confident	34 Å²	34	52.2 Å²	52.2	35%	0.351	30%	0.295	S	S	.	.	S	Bend	trans	76.4	19.2	-178.2	0	0	0	0	0	115.6	N81 S85 S86 L87	N81-G83 PolarHBondContact O-N 2.98Å; N81-G83 VanDerWaalsContact O-N 3.08Å; G83-S85 PolarHBondContact O-N 2.96Å; G83-S86 WeakPolarHBondContact O-CB 3.41Å; G83-S86 PolarHBondContact O-N 3.42Å; G83-S86 VanDerWaalsContact O-N 3.11Å; G83-L87 PolarHBondContact O-N 2.93Å
84	K	78.8	Confident	76.5	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-51.9	-50	179.9	-58.5	-177.6	-72.1	-78.2	0	113.1	V12 V76 G78 C79 S82 S86 L87 V88 N127	V12-K84 HydrophobicContact CG2-CG 4.37Å; V76-K84 HydrophobicContact CG1-CB 4.08Å; V76-K84 HydrophobicContact CG1-CG 4.17Å; G78-K84 PolarHBondContact O-NZ 2.92Å; C79-K84 PolarHBondContact O-NZ 3.22Å; S82-K84 VanDerWaalsContact OG-CG 3.23Å; S82-K84 WeakPolarHBondContact OG-CG 3.38Å; K84-S86 VanDerWaalsContact C-N 3.3Å; K84-S86 PolarHBondContact O-N 3.46Å; K84-L87 WeakPolarHBondContact O-CB 3.36Å; K84-L87 PolarHBondContact O-N 2.85Å; K84-V88 WeakPolarHBondContact O-CG2 3.48Å; K84-V88 PolarHBondContact O-N 3.37Å; K84-N127 WeakPolarHBondContact CE-OD1 3.49Å; K84-N127 PolarHBondContact NZ-OD1 3.23Å; K84-N127 VanDerWaalsContact NZ-OD1 3.09Å
85	S	77.1	Confident	76.4	Confident	14 Å²	14	65.4 Å²	65.4	10%	0.098	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-34.9	-179.6	-53	0	0	0	0	112.3	G83 N89 T106	G83-S85 PolarHBondContact O-N 2.96Å; S85-N89 VanDerWaalsContact O-CG 3.24Å; S85-N89 PolarHBondContact O-N 2.81Å; S85-N89 PolarHBondContact O-ND2 3.46Å; S85-T106 PolarHBondContact OG-OG1 3.08Å
86	S	80.1	Confident	76.1	Confident	59 Å²	59	66.6 Å²	66.6	41%	0.413	35%	0.352	S	S	.	.	H	α-helix	trans	-67.2	-43	173.8	-54.5	0	0	0	0	111.4	G83 K84 N89 M90 V99	G83-S86 WeakPolarHBondContact O-CB 3.41Å; G83-S86 PolarHBondContact O-N 3.42Å; G83-S86 VanDerWaalsContact O-N 3.11Å; K84-S86 VanDerWaalsContact C-N 3.3Å; K84-S86 PolarHBondContact O-N 3.46Å; S86-N89 PolarHBondContact O-N 3.02Å; S86-M90 WeakPolarHBondContact O-CG 3.44Å; S86-M90 PolarHBondContact O-N 3.3Å; S86-V99 WeakPolarHBondContact OG-CG1 3.42Å
87	L	80.8	Confident	75.7	Confident	56 Å²	56	66.7 Å²	66.7	29%	0.293	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-43.7	175.4	-179.3	64.8	0	0	0	111.5	V12 V76 G83 K84 N89 M90 L91	V12-L87 HydrophobicContact CG1-CD2 3.77Å; V76-L87 HydrophobicContact CG1-CD2 3.99Å; G83-L87 PolarHBondContact O-N 2.93Å; K84-L87 WeakPolarHBondContact O-CB 3.36Å; K84-L87 PolarHBondContact O-N 2.85Å; L87-N89 VanDerWaalsContact C-N 3.34Å; L87-N89 PolarHBondContact O-N 3.45Å; L87-M90 PolarHBondContact O-N 2.93Å; L87-L91 HydrophobicContact CD1-CD1 4.48Å; L87-L91 HydrophobicContact CD1-CG 4.39Å; L87-L91 HydrophobicContact CG-CD1 4.14Å; L87-L91 HydrophobicContact CG-CG 4.46Å; L87-L91 WeakPolarHBondContact O-CG 3.33Å; L87-L91 PolarHBondContact O-N 2.94Å
88	V	77.4	Confident	75.3	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.006	36%	0.355	C	S	.	.	H	α-helix	trans	-60.4	-44.9	176.4	174.1	0	0	0	0	110.9	V76 K84 M90 L91 T92 A112 S123	V76-V88 HydrophobicContact CB-CG2 4.48Å; V76-V88 HydrophobicContact CG2-CG2 4.01Å; K84-V88 WeakPolarHBondContact O-CG2 3.48Å; K84-V88 PolarHBondContact O-N 3.37Å; V88-M90 VanDerWaalsContact C-N 3.31Å; V88-M90 PolarHBondContact O-N 2.87Å; V88-L91 PolarHBondContact O-N 3.19Å; V88-T92 HydrophobicContact CG1-CG2 4.42Å; V88-T92 WeakPolarHBondContact O-CG2 3.45Å; V88-T92 PolarHBondContact O-N 3.18Å; V88-T92 PolarHBondContact O-OG1 3.4Å; V88-T92 VanDerWaalsContact O-OG1 3.04Å; V88-A112 HydrophobicContact CG1-CB 3.99Å; V88-S123 WeakPolarHBondContact CG2-OG 3.26Å
89	N	78.7	Confident	74.7	Confident	18 Å²	18	67.5 Å²	67.5	10%	0.096	36%	0.364	C	S	.	.	H	α-helix	trans	-63.6	-35.9	177.1	-70.4	-14	0	0	0	113.2	S85 S86 L87 K93 W94 V96 C97 V99	S85-N89 VanDerWaalsContact O-CG 3.24Å; S85-N89 PolarHBondContact O-N 2.81Å; S85-N89 PolarHBondContact O-ND2 3.46Å; S86-N89 PolarHBondContact O-N 3.02Å; L87-N89 VanDerWaalsContact C-N 3.34Å; L87-N89 PolarHBondContact O-N 3.45Å; N89-K93 WeakPolarHBondContact O-CA 3.48Å; N89-K93 PolarHBondContact O-N 3.33Å; N89-K93 VanDerWaalsContact O-N 3.09Å; N89-W94 WeakPolarHBondContact CA-O 3.08Å; N89-W94 PolarHBondContact O-N 3.27Å; N89-W94 PolarHBondContact OD1-O 3.01Å; N89-V96 PolarHBondContact OD1-N 3.3Å; N89-C97 PolarHBondContact ND2-O 2.79Å; N89-C97 PolarHBondContact OD1-N 3.06Å; N89-C97 PolarHBondContact OD1-O 2.9Å; N89-V99 WeakPolarHBondContact ND2-CG1 3.47Å
90	M	78.7	Confident	74.1	Confident	145 Å²	145	67.8 Å²	67.8	71%	0.714	37%	0.366	S	S	*	.	H	α-helix	trans	-65.9	-44.2	173.7	-73.6	178	64.1	0	0	111.4	S86 L87 V88 K93	S86-M90 WeakPolarHBondContact O-CG 3.44Å; S86-M90 PolarHBondContact O-N 3.3Å; L87-M90 PolarHBondContact O-N 2.93Å; V88-M90 VanDerWaalsContact C-N 3.31Å; V88-M90 PolarHBondContact O-N 2.87Å; M90-K93 PolarHBondContact O-N 2.96Å
91	L	76.5	Confident	73.7	Confident	67 Å²	67	68.1 Å²	68.1	35%	0.351	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-39.4	-179.5	-71.8	173.8	0	0	0	112.5	L87 V88 K93	L87-L91 HydrophobicContact CD1-CD1 4.48Å; L87-L91 HydrophobicContact CD1-CG 4.39Å; L87-L91 HydrophobicContact CG-CD1 4.14Å; L87-L91 HydrophobicContact CG-CG 4.46Å; L87-L91 WeakPolarHBondContact O-CG 3.33Å; L87-L91 PolarHBondContact O-N 2.94Å; V88-L91 PolarHBondContact O-N 3.19Å; L91-K93 VanDerWaalsContact C-N 3.31Å
92	T	76.8	Confident	73	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.031	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.8	178.5	59	0	0	0	0	113.4	V88 W94 V96 A112	V88-T92 HydrophobicContact CG1-CG2 4.42Å; V88-T92 WeakPolarHBondContact O-CG2 3.45Å; V88-T92 PolarHBondContact O-N 3.18Å; V88-T92 PolarHBondContact O-OG1 3.4Å; V88-T92 VanDerWaalsContact O-OG1 3.04Å; T92-W94 PolarHBondContact O-N 3.11Å; T92-W94 PolarHBondContact OG1-N 3.47Å; T92-W94 PolarHBondContact OG1-O 3.07Å; T92-W94 VanDerWaalsContact OG1-O 3.04Å; T92-V96 HydrophobicContact CG2-CG2 4.22Å; T92-V96 WeakPolarHBondContact OG1-CG2 3.33Å; T92-A112 HydrophobicContact CG2-CB 4.15Å
93	K	76.2	Confident	72	Confident	164 Å²	164	72 Å²	72	71%	0.713	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	21.8	-170.3	-60.5	178.5	-179.5	172.6	0	113.4	N89 M90 L91	N89-K93 WeakPolarHBondContact O-CA 3.48Å; N89-K93 PolarHBondContact O-N 3.33Å; N89-K93 VanDerWaalsContact O-N 3.09Å; M90-K93 PolarHBondContact O-N 2.96Å; L91-K93 VanDerWaalsContact C-N 3.31Å
94	W	74.5	Confident	71.2	Confident	191 Å²	191	76.5 Å²	76.5	72%	0.723	42%	0.415	S	S	*	.	S	Bend	trans	-139.8	147.8	-176.1	-166.8	-89.1	0	0	0	109.6	N89 T92 V96	N89-W94 WeakPolarHBondContact CA-O 3.08Å; N89-W94 PolarHBondContact O-N 3.27Å; N89-W94 PolarHBondContact OD1-O 3.01Å; T92-W94 PolarHBondContact O-N 3.11Å; T92-W94 PolarHBondContact OG1-N 3.47Å; T92-W94 PolarHBondContact OG1-O 3.07Å; T92-W94 VanDerWaalsContact OG1-O 3.04Å; W94-V96 HydrophobicContact CB-CG2 4.01Å; W94-V96 HydrophobicContact CG-CG2 4.31Å; W94-V96 PolarHBondContact O-N 3.11Å
95	K	71.6	Confident	70.2	Confident	186 Å²	186	78.7 Å²	78.7	81%	0.809	43%	0.429	S	S	*	.			trans	-77.1	72.1	176	-66.9	-176.8	179.9	176.2	0	110.2
96	V	71	Confident	69.4	Low	52 Å²	52	78.4 Å²	78.4	32%	0.315	43%	0.427	S	S	.	.			trans	-80.8	-38.7	-179.6	-173.6	0	0	0	0	111.3	N89 T92 W94 A112	N89-V96 PolarHBondContact OD1-N 3.3Å; T92-V96 HydrophobicContact CG2-CG2 4.22Å; T92-V96 WeakPolarHBondContact OG1-CG2 3.33Å; W94-V96 HydrophobicContact CB-CG2 4.01Å; W94-V96 HydrophobicContact CG-CG2 4.31Å; W94-V96 PolarHBondContact O-N 3.11Å; V96-A112 HydrophobicContact CB-CB 4.15Å; V96-A112 HydrophobicContact CG1-CB 3.53Å; V96-A112 HydrophobicContact CG2-CB 4.42Å
97	C	65.9	Low	68.5	Low	4 Å²	4	84.2 Å²	84.2	3%	0.027	44%	0.44	C	S	.	.	S	Bend	trans	-104.7	136.2	177.8	-63.4	0	0	0	0	110.6	N89 V99	N89-C97 PolarHBondContact ND2-O 2.79Å; N89-C97 PolarHBondContact OD1-N 3.06Å; N89-C97 PolarHBondContact OD1-O 2.9Å; C97-V99 PolarHBondContact O-N 2.71Å
98	A	67.4	Low	67.3	Low	68 Å²	68	85.3 Å²	85.3	56%	0.562	45%	0.452	S	S	*	.			trans	-63.2	126.3	169.7	0	0	0	0	0	110.1	T106	A98-T106 PolarHBondContact O-OG1 3.27Å
99	V	64.5	Low	66.3	Low	71 Å²	71	91.7 Å²	91.7	43%	0.43	48%	0.48	S	S	.	.			trans	-112.9	127.8	173	-69.1	0	0	0	0	108.5	S86 N89 C97	S86-V99 WeakPolarHBondContact OG-CG1 3.42Å; N89-V99 WeakPolarHBondContact ND2-CG1 3.47Å; C97-V99 PolarHBondContact O-N 2.71Å
100	S	65	Low	65.4	Low	66 Å²	66	94.1 Å²	94.1	46%	0.462	49%	0.491	S	S	.	.			trans	-150.1	148.8	170.9	149.9	0	0	0	0	108.9	K102 T105	S100-K102 PolarHBondContact O-N 3.13Å; S100-K102 PolarHBondContact OG-N 2.94Å; S100-T105 WeakPolarHBondContact OG-CG2 3.41Å
101	G	59.5	Low	64.6	Low	89 Å²	89	90.8 Å²	90.8	92%	0.918	48%	0.479	S	S	*	.	S	Bend	trans	-70.9	-7	179.6	0	0	0	0	0	114.2
102	K	58.9	Low	63.8	Low	164 Å²	164	87.7 Å²	87.7	71%	0.713	46%	0.463	S	S	*	.	S	Bend	trans	-78.1	135.9	172.2	-67.3	179.5	178.3	170.4	0	109.4	S100 T105	S100-K102 PolarHBondContact O-N 3.13Å; S100-K102 PolarHBondContact OG-N 2.94Å; K102-T105 HydrophobicContact CB-CG2 4.42Å; K102-T105 WeakPolarHBondContact O-CG2 3.3Å
103	A	57.2	Low	63.1	Low	52 Å²	52	90.9 Å²	90.9	43%	0.43	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	151.7	169.5	0	0	0	0	0	110.1
104	H	59.3	Low	62.5	Low	127 Å²	127	86.2 Å²	86.2	59%	0.588	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	28.9	176.4	-45.7	-83	0	0	0	117.4
105	T	57	Low	61.6	Low	53 Å²	53	83.7 Å²	83.7	33%	0.325	46%	0.455	S	S	.	.			trans	-78.5	-28.7	-178.1	44.6	0	0	0	0	115.2	S100 K102	S100-T105 WeakPolarHBondContact OG-CG2 3.41Å; K102-T105 HydrophobicContact CB-CG2 4.42Å; K102-T105 WeakPolarHBondContact O-CG2 3.3Å
106	T	59.5	Low	60.9	Low	8 Å²	8	79.3 Å²	79.3	5%	0.049	44%	0.437	C	S	.	.			trans	-116.7	88.7	176.8	-43.7	0	0	0	0	108.6	S85 A98 Q110 N127	S85-T106 PolarHBondContact OG-OG1 3.08Å; A98-T106 PolarHBondContact O-OG1 3.27Å; T106-Q110 HydrophobicContact CG2-CG 3.66Å; T106-N127 VanDerWaalsContact O-CB 3.3Å; T106-N127 WeakPolarHBondContact O-CB 3.44Å; T106-N127 PolarHBondContact O-ND2 3.05Å
107	R	61.2	Low	60.4	Low	182 Å²	182	83.8 Å²	83.8	69%	0.687	46%	0.459	S	S	*	.			trans	-87.7	-21.3	179.4	-77.5	-177	177.1	-105.6	0.6	113.9
108	S	56.5	Low	59.9	Low	78 Å²	78	87.6 Å²	87.6	55%	0.545	48%	0.48	S	S	.	.	S	Bend	trans	-109.9	149.3	-176.8	-53	0	0	0	0	111.2	Q110	S108-Q110 PolarHBondContact O-N 3.03Å; S108-Q110 VanDerWaalsContact O-N 3.11Å
109	K	56.2	Low	59.2	Low	136 Å²	136	87 Å²	87	59%	0.591	47%	0.469	S	S	*	.			trans	-52	115.8	169.8	169.6	174.8	157.8	150.8	0	109.1	L124 C125 V126	K109-L124 HydrophobicContact CD-CD1 3.49Å; K109-L124 VanDerWaalsContact CD-CD1 3.49Å; K109-L124 HydrophobicContact CG-CD1 3.55Å; K109-L124 HydrophobicContact CG-CG 4.43Å; K109-L124 VanDerWaalsContact NZ-CD1 3.34Å; K109-C125 WeakPolarHBondContact CA-O 3.08Å; K109-V126 HydrophobicContact CG-CG2 4.47Å
110	Q	60.9	Low	58.8	Low	68 Å²	68	85.8 Å²	85.8	32%	0.318	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.4	171.6	-64.5	-66.5	-58.2	0	0	107.5	T106 S108 C125	T106-Q110 HydrophobicContact CG2-CG 3.66Å; S108-Q110 PolarHBondContact O-N 3.03Å; S108-Q110 VanDerWaalsContact O-N 3.11Å; Q110-C125 HydrophobicContact CB-CB 4.43Å; Q110-C125 PolarHBondContact N-O 2.91Å; Q110-C125 PolarHBondContact O-N 2.82Å
111	T	60.9	Low	58.2	Low	76 Å²	76	83.9 Å²	83.9	47%	0.466	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.2	170.5	-53.5	0	0	0	0	106.9	V122 S123	T111-V122 HydrophobicContact CG2-CG1 3.89Å; T111-S123 CarbonylContact C-O 3.55Å; T111-S123 WeakPolarHBondContact CA-O 2.91Å
112	A	60.7	Low	58.1	Low	2 Å²	2	81.4 Å²	81.4	2%	0.017	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.4	172.5	0	0	0	0	0	108.6	V88 T92 V96 V122 S123	V88-A112 HydrophobicContact CG1-CB 3.99Å; T92-A112 HydrophobicContact CG2-CB 4.15Å; V96-A112 HydrophobicContact CB-CB 4.15Å; V96-A112 HydrophobicContact CG1-CB 3.53Å; V96-A112 HydrophobicContact CG2-CB 4.42Å; A112-V122 CarbonylContact O-C 3.56Å; A112-V122 WeakPolarHBondContact O-CA 3.46Å; A112-S123 PolarHBondContact N-O 2.79Å; A112-S123 PolarHBondContact O-N 3.2Å
113	T	60.9	Low	58.1	Low	71 Å²	71	73.7 Å²	73.7	44%	0.436	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.3	174.9	-58.4	0	0	0	0	107.9	F115 Q120 L121 V122	T113-F115 HydrophobicContact CG2-CD2 4.4Å; T113-F115 HydrophobicContact CG2-CE2 3.82Å; T113-F115 HydrophobicContact CG2-CZ 4.18Å; T113-Q120 HydrophobicContact CG2-CG 3.54Å; T113-L121 CarbonylContact C-O 3.5Å; T113-L121 VanDerWaalsContact CA-O 3.31Å; T113-L121 WeakPolarHBondContact CA-O 3.3Å; T113-V122 HydrophobicContact CG2-CG2 4.4Å
114	Y	63	Low	58	Low	66 Å²	66	74 Å²	74	26%	0.259	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.5	177.1	179.1	-112.4	0	0	0	109.6	Q116 Q120 L121	Y114-Q116 HydrophobicContact CD1-CB 4.28Å; Y114-Q116 HydrophobicContact CE1-CB 3.69Å; Y114-Q116 HydrophobicContact CE1-CG 4.42Å; Y114-Q120 CarbonylContact O-C 3.56Å; Y114-Q120 WeakPolarHBondContact O-CA 3.23Å; Y114-L121 PolarHBondContact N-O 2.72Å; Y114-L121 PolarHBondContact O-N 3.14Å
115	F	56.9	Low	57.8	Low	139 Å²	139	68 Å²	68	61%	0.61	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.8	176.4	-67.9	-90.7	0	0	0	108.2	T113 Q120	T113-F115 HydrophobicContact CG2-CD2 4.4Å; T113-F115 HydrophobicContact CG2-CE2 3.82Å; T113-F115 HydrophobicContact CG2-CZ 4.18Å; F115-Q120 HydrophobicContact CD1-CB 3.93Å; F115-Q120 HydrophobicContact CD1-CG 3.93Å; F115-Q120 HydrophobicContact CE1-CB 3.82Å; F115-Q120 HydrophobicContact CE1-CG 3.54Å; F115-Q120 HydrophobicContact CE2-CG 4.39Å; F115-Q120 HydrophobicContact CZ-CG 3.83Å
116	Q	56.6	Low	57.5	Low	94 Å²	94	68.6 Å²	68.6	44%	0.439	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.3	165.9	-168.3	167.6	-32.9	0	0	108.7	Y114 N118 V119	Y114-Q116 HydrophobicContact CD1-CB 4.28Å; Y114-Q116 HydrophobicContact CE1-CB 3.69Å; Y114-Q116 HydrophobicContact CE1-CG 4.42Å; Q116-N118 PolarHBondContact O-N 2.77Å; Q116-N118 VanDerWaalsContact O-N 3.1Å; Q116-V119 PolarHBondContact N-O 3.09Å; Q116-V119 PolarHBondContact O-N 2.9Å
117	D	60.1	Low	57	Low	145 Å²	145	70 Å²	70	78%	0.775	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	-112.1	-176.1	-48.4	-49.1	0	0	0	111
118	N	55.7	Low	55.9	Low	85 Å²	85	69.8 Å²	69.8	46%	0.455	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.8	177.5	-67	-63.4	0	0	0	113.1	S66 R70 Q116	S66-N118 PolarHBondContact OG-OD1 3.33Å; R70-N118 PolarHBondContact N-O 3.09Å; Q116-N118 PolarHBondContact O-N 2.77Å; Q116-N118 VanDerWaalsContact O-N 3.1Å
119	V	52.8	Low	55.1	Low	56 Å²	56	69 Å²	69	34%	0.339	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.2	-173.6	-175.1	0	0	0	0	111.1	R70 L72 Q116	R70-V119 CarbonylContact O-C 3.5Å; R70-V119 VanDerWaalsContact O-CA 3.23Å; R70-V119 WeakPolarHBondContact O-CA 3.19Å; L72-V119 HydrophobicContact CB-CG1 3.4Å; L72-V119 HydrophobicContact CD2-CG1 4.15Å; L72-V119 HydrophobicContact CG-CG1 4.42Å; Q116-V119 PolarHBondContact N-O 3.09Å; Q116-V119 PolarHBondContact O-N 2.9Å
120	Q	55.2	Low	54.2	Low	44 Å²	44	75.1 Å²	75.1	21%	0.206	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.5	171.3	-172.1	-175.2	31.8	0	0	109.9	R70 V71 L72 T113 Y114 F115 V122	R70-Q120 PolarHBondContact O-N 3.46Å; V71-Q120 CarbonylContact C-O 3.58Å; V71-Q120 HydrophobicContact CB-CB 4.49Å; V71-Q120 HydrophobicContact CG1-CB 4.27Å; V71-Q120 HydrophobicContact CG2-CB 4.15Å; L72-Q120 CarbonylContact C-O 3.59Å; L72-Q120 PolarHBondContact N-O 3.37Å; L72-Q120 VanDerWaalsContact O-O 3.09Å; T113-Q120 HydrophobicContact CG2-CG 3.54Å; Y114-Q120 CarbonylContact O-C 3.56Å; Y114-Q120 WeakPolarHBondContact O-CA 3.23Å; F115-Q120 HydrophobicContact CD1-CB 3.93Å; F115-Q120 HydrophobicContact CD1-CG 3.93Å; F115-Q120 HydrophobicContact CE1-CB 3.82Å; F115-Q120 HydrophobicContact CE1-CG 3.54Å; F115-Q120 HydrophobicContact CE2-CG 4.39Å; F115-Q120 HydrophobicContact CZ-CG 3.83Å; Q120-V122 HydrophobicContact CG-CG2 4.11Å; Q120-V122 PolarHBondContact O-N 3.41Å
121	L	54.1	Low	53.8	Low	27 Å²	27	75.5 Å²	75.5	14%	0.141	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	108.9	174.5	-163.1	156	0	0	0	109.6	L72 V74 T113 Y114	L72-L121 HydrophobicContact CD2-CD1 4.45Å; L72-L121 CarbonylContact O-C 3.6Å; L72-L121 VanDerWaalsContact O-CA 3.27Å; L72-L121 WeakPolarHBondContact O-CA 3.47Å; V74-L121 HydrophobicContact CB-CD2 4.02Å; V74-L121 HydrophobicContact CB-CG 4.33Å; V74-L121 HydrophobicContact CG2-CD1 4.12Å; V74-L121 HydrophobicContact CG2-CD2 3.94Å; V74-L121 HydrophobicContact CG2-CG 3.69Å; T113-L121 CarbonylContact C-O 3.5Å; T113-L121 VanDerWaalsContact CA-O 3.31Å; T113-L121 WeakPolarHBondContact CA-O 3.3Å; Y114-L121 PolarHBondContact N-O 2.72Å; Y114-L121 PolarHBondContact O-N 3.14Å
122	V	57.1	Low	53.5	Low	37 Å²	37	75.5 Å²	75.5	22%	0.224	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	101.1	174.7	-177.2	0	0	0	0	108.4	V71 L72 V74 T111 A112 T113 Q120	V71-V122 HydrophobicContact CG1-CG2 4.1Å; L72-V122 PolarHBondContact O-N 2.81Å; V74-V122 PolarHBondContact N-O 3.43Å; T111-V122 HydrophobicContact CG2-CG1 3.89Å; A112-V122 CarbonylContact O-C 3.56Å; A112-V122 WeakPolarHBondContact O-CA 3.46Å; T113-V122 HydrophobicContact CG2-CG2 4.4Å; Q120-V122 HydrophobicContact CG-CG2 4.11Å; Q120-V122 PolarHBondContact O-N 3.41Å
123	S	58.3	Low	53.1	Low	2 Å²	2	79.6 Å²	79.6	1%	0.014	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.6	177	-176	0	0	0	0	111.4	V74 V88 T111 A112	V74-S123 VanDerWaalsContact O-CA 3.26Å; V74-S123 WeakPolarHBondContact O-CA 3.47Å; V88-S123 WeakPolarHBondContact CG2-OG 3.26Å; T111-S123 CarbonylContact C-O 3.55Å; T111-S123 WeakPolarHBondContact CA-O 2.91Å; A112-S123 PolarHBondContact N-O 2.79Å; A112-S123 PolarHBondContact O-N 3.2Å
124	L	55.9	Low	52.6	Low	58 Å²	58	80.1 Å²	80.1	30%	0.304	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.3	171.4	-172.3	89	0	0	0	109.9	V74 K109 V126	V74-L124 PolarHBondContact O-N 3.3Å; K109-L124 HydrophobicContact CD-CD1 3.49Å; K109-L124 VanDerWaalsContact CD-CD1 3.49Å; K109-L124 HydrophobicContact CG-CD1 3.55Å; K109-L124 HydrophobicContact CG-CG 4.43Å; K109-L124 VanDerWaalsContact NZ-CD1 3.34Å; L124-V126 HydrophobicContact CD2-CG2 3.67Å; L124-V126 HydrophobicContact CG-CG2 3.9Å
125	C	54.6	Low	51.9	Low	1 Å²	1	80.9 Å²	80.9	1%	0.007	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.9	168.5	-174.4	0	0	0	0	109.8	K109 Q110	K109-C125 WeakPolarHBondContact CA-O 3.08Å; Q110-C125 HydrophobicContact CB-CB 4.43Å; Q110-C125 PolarHBondContact N-O 2.91Å; Q110-C125 PolarHBondContact O-N 2.82Å
126	V	51.2	Low	51.6	Low	65 Å²	65	77.1 Å²	77.1	39%	0.394	40%	0.404	S	S	.	.			trans	-118.2	120.6	172.7	-177	0	0	0	0	108.4	K109 L124	K109-V126 HydrophobicContact CG-CG2 4.47Å; L124-V126 HydrophobicContact CD2-CG2 3.67Å; L124-V126 HydrophobicContact CG-CG2 3.9Å
127	N	48.8	Very low	51.3	Low	38 Å²	38	75.9 Å²	75.9	20%	0.203	40%	0.402	C	S	.	.			trans	-94.2	121.1	157.2	-103.4	-27.6	0	0	0	106.6	K84 T106 G129	K84-N127 WeakPolarHBondContact CE-OD1 3.49Å; K84-N127 PolarHBondContact NZ-OD1 3.23Å; K84-N127 VanDerWaalsContact NZ-OD1 3.09Å; T106-N127 VanDerWaalsContact O-CB 3.3Å; T106-N127 WeakPolarHBondContact O-CB 3.44Å; T106-N127 PolarHBondContact O-ND2 3.05Å; N127-G129 PolarHBondContact O-N 2.92Å; N127-G129 VanDerWaalsContact O-N 3.09Å
128	K	38.2	Very low	50.6	Low	177 Å²	177	70.5 Å²	70.5	77%	0.77	37%	0.373	S	S	*	.			trans	-66.8	105.9	162.4	-76.9	-89.9	166.3	69.1	0	106	F130	K128-F130 PolarHBondContact O-N 2.77Å
129	G	38.5	Very low	50.2	Low	61 Å²	61	69.3 Å²	69.3	63%	0.629	37%	0.366	S	S	*	.			trans	-63.2	125.5	162.6	0	0	0	0	0	107.5	N127	N127-G129 PolarHBondContact O-N 2.92Å; N127-G129 VanDerWaalsContact O-N 3.09Å
130	F	37.3	Very low	49.9	Very low	266 Å²	266	70.5 Å²	70.5	100%	1.167	37%	0.369	S	S	*	.			trans	-68.8	0	154.7	-72.5	-88.2	0	0	0	108.1	K128	K128-F130 PolarHBondContact O-N 2.77Å

Retrieved 130 of 130 residues in 62.8 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).