A0A061I6V8_CRIGR Loading...

Adenylate kinase isoenzyme 4

AlphaFold DB , UniProt , Accession A0A061I6V8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 145 aa.

						>A0A061I6V8_CRIGR|A0A061I6V8
MMKKEEEEEQQQQEEEKQQQQEEKEGEGEGEGEGGQRVGTVCERMTQNFGLQHLSSSHFLQENLNASTEVGDTAKQYLENGLLVPDHVITRLMVSELETRNTKHWLLDGFPRTLVQAEALDRICDVDLVISLNIPFETLKDCLSR
					

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	56.4	Low	61.4	Low	209 Å²	209	139.3 Å²	139.3	100%	1.03	65%	0.65	S	S	*	*				0	-55	0	-149.5	155.6	173.1	0	0	109.7	K3 K4	M1-K3 PolarHBondContact O-N 3Å; M1-K4 PolarHBondContact O-N 3.41Å
2	M	54.4	Low	61.2	Low	154 Å²	154	137.6 Å²	137.6	76%	0.759	64%	0.642	S	S	*	*	H	α-helix	trans	-61.4	-28.8	179	-66	-167.9	-82.9	0	0	116.7	K4	M2-K4 VanDerWaalsContact C-N 3.3Å; M2-K4 PolarHBondContact O-N 3.05Å
3	K	54.9	Low	61.1	Low	168 Å²	168	136.2 Å²	136.2	73%	0.73	64%	0.636	S	S	*	*	H	α-helix	trans	-71	-21.9	178.8	-73.2	-168.8	173.1	-169.1	0	114.9	M1 E7	M1-K3 PolarHBondContact O-N 3Å; K3-E7 PolarHBondContact O-N 3.27Å
4	K	58.4	Low	61.3	Low	139 Å²	139	135.6 Å²	135.6	60%	0.604	63%	0.633	S	S	*	*	H	α-helix	trans	-84.3	-32.2	-175.7	-157.4	-175.7	176.7	-157.7	0	111.4	M1 M2 E7 E8	M1-K4 PolarHBondContact O-N 3.41Å; M2-K4 VanDerWaalsContact C-N 3.3Å; M2-K4 PolarHBondContact O-N 3.05Å; K4-E7 PolarHBondContact O-N 3.37Å; K4-E8 WeakPolarHBondContact O-CG 3.44Å; K4-E8 PolarHBondContact O-N 3.49Å; K4-E8 VanDerWaalsContact O-N 3.14Å
5	E	61	Low	61.2	Low	120 Å²	120	133.5 Å²	133.5	56%	0.561	62%	0.623	S	S	*	*	H	α-helix	trans	-69.1	-38.9	173.9	-71.8	169.8	159.6	0	0	111.1	E7 E8 E9	E5-E7 PolarHBondContact O-N 3.12Å; E5-E8 PolarHBondContact O-N 3.46Å; E5-E9 PolarHBondContact O-N 3.32Å
6	E	65.2	Low	60.9	Low	123 Å²	123	131.8 Å²	131.8	58%	0.575	62%	0.615	S	S	*	*	H	α-helix	trans	-65.8	-33.8	174.9	-76.5	179.9	151.5	0	0	113.3	Q10	E6-Q10 WeakPolarHBondContact O-CG 3.36Å; E6-Q10 PolarHBondContact O-N 3.38Å; E6-Q10 VanDerWaalsContact O-N 3.11Å
7	E	66.8	Low	60.6	Low	131 Å²	131	132.8 Å²	132.8	61%	0.612	62%	0.617	S	S	*	*	H	α-helix	trans	-71.2	-39.1	175.1	-79.2	176.4	171.9	0	0	111.7	K3 K4 E5 Q10 Q11	K3-E7 PolarHBondContact O-N 3.27Å; K4-E7 PolarHBondContact O-N 3.37Å; E5-E7 PolarHBondContact O-N 3.12Å; E7-Q10 PolarHBondContact O-N 3.06Å; E7-Q11 WeakPolarHBondContact O-CB 3.34Å; E7-Q11 PolarHBondContact O-N 2.94Å
8	E	66.8	Low	59.8	Low	109 Å²	109	132 Å²	132	51%	0.509	61%	0.614	S	S	.	*	H	α-helix	trans	-66.8	-39.7	175.3	-75.7	173.4	-171.2	0	0	111.6	K4 E5 Q11 Q12	K4-E8 WeakPolarHBondContact O-CG 3.44Å; K4-E8 PolarHBondContact O-N 3.49Å; K4-E8 VanDerWaalsContact O-N 3.14Å; E5-E8 PolarHBondContact O-N 3.46Å; E8-Q11 PolarHBondContact O-N 3.37Å; E8-Q12 WeakPolarHBondContact O-CB 3.16Å; E8-Q12 PolarHBondContact O-N 3.2Å
9	E	66.5	Low	59.1	Low	127 Å²	127	131.6 Å²	131.6	59%	0.593	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-38.6	175.3	-116	179.4	174.7	0	0	112.7	E5 Q12 Q13	E5-E9 PolarHBondContact O-N 3.32Å; E9-Q12 PolarHBondContact O-N 3.26Å; E9-Q13 WeakPolarHBondContact O-CB 3.28Å; E9-Q13 WeakPolarHBondContact O-CG 3.15Å; E9-Q13 PolarHBondContact O-N 3.01Å
10	Q	62.9	Low	58.5	Low	130 Å²	130	130.6 Å²	130.6	61%	0.607	61%	0.607	S	S	*	*	H	α-helix	trans	-67.3	-40.5	175.5	-81.5	177.5	20.5	0	0	111.9	E6 E7 Q12 Q13 E14	E6-Q10 WeakPolarHBondContact O-CG 3.36Å; E6-Q10 PolarHBondContact O-N 3.38Å; E6-Q10 VanDerWaalsContact O-N 3.11Å; E7-Q10 PolarHBondContact O-N 3.06Å; Q10-Q12 VanDerWaalsContact C-N 3.33Å; Q10-Q13 PolarHBondContact O-N 3.27Å; Q10-E14 WeakPolarHBondContact O-CB 3.42Å; Q10-E14 PolarHBondContact O-N 3.08Å
11	Q	62	Low	57.5	Low	122 Å²	122	129.7 Å²	129.7	57%	0.57	60%	0.603	S	S	*	*	H	α-helix	trans	-66.9	-37.5	178.1	-166.3	150.2	25.7	0	0	111.5	E7 E8 E14 E15	E7-Q11 WeakPolarHBondContact O-CB 3.34Å; E7-Q11 PolarHBondContact O-N 2.94Å; E8-Q11 PolarHBondContact O-N 3.37Å; Q11-E14 PolarHBondContact O-N 2.95Å; Q11-E15 WeakPolarHBondContact O-CG 3.2Å; Q11-E15 PolarHBondContact O-N 2.93Å
12	Q	59.5	Low	56.7	Low	119 Å²	119	126.4 Å²	126.4	56%	0.556	59%	0.586	S	S	*	*	H	α-helix	trans	-68.7	-38.4	175.7	-161.4	133.3	44.6	0	0	112.3	E8 E9 Q10 E14 E15 E16	E8-Q12 WeakPolarHBondContact O-CB 3.16Å; E8-Q12 PolarHBondContact O-N 3.2Å; E9-Q12 PolarHBondContact O-N 3.26Å; Q10-Q12 VanDerWaalsContact C-N 3.33Å; Q12-E14 VanDerWaalsContact C-N 3.32Å; Q12-E14 PolarHBondContact O-N 3.31Å; Q12-E15 PolarHBondContact O-N 3.18Å; Q12-E16 WeakPolarHBondContact O-CB 3.24Å; Q12-E16 WeakPolarHBondContact O-CG 3.46Å; Q12-E16 PolarHBondContact O-N 2.89Å
13	Q	59.2	Low	56.1	Low	120 Å²	120	126.3 Å²	126.3	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-68.5	-29.3	173	-75.8	179.4	13.8	0	0	113.1	E9 Q10 K17	E9-Q13 WeakPolarHBondContact O-CB 3.28Å; E9-Q13 WeakPolarHBondContact O-CG 3.15Å; E9-Q13 PolarHBondContact O-N 3.01Å; Q10-Q13 PolarHBondContact O-N 3.27Å; Q13-K17 WeakPolarHBondContact O-CB 3.39Å; Q13-K17 WeakPolarHBondContact O-CG 3.39Å; Q13-K17 PolarHBondContact O-N 2.78Å; Q13-K17 VanDerWaalsContact O-N 3.11Å
14	E	64.3	Low	55.4	Low	127 Å²	127	125.3 Å²	125.3	59%	0.593	58%	0.579	S	S	*	*	H	α-helix	trans	-76.6	-37.8	176.6	-157.7	165.7	-154.3	0	0	111.5	Q10 Q11 Q12 K17 Q18	Q10-E14 WeakPolarHBondContact O-CB 3.42Å; Q10-E14 PolarHBondContact O-N 3.08Å; Q11-E14 PolarHBondContact O-N 2.95Å; Q12-E14 VanDerWaalsContact C-N 3.32Å; Q12-E14 PolarHBondContact O-N 3.31Å; E14-K17 PolarHBondContact O-N 3.14Å; E14-Q18 PolarHBondContact O-N 2.94Å
15	E	59.4	Low	54.4	Low	104 Å²	104	125.7 Å²	125.7	49%	0.486	58%	0.583	S	S	.	*	H	α-helix	trans	-65	-43.6	170.8	-76.4	-178.1	177.1	0	0	112.3	Q11 Q12 K17 Q18 Q19	Q11-E15 WeakPolarHBondContact O-CG 3.2Å; Q11-E15 PolarHBondContact O-N 2.93Å; Q12-E15 PolarHBondContact O-N 3.18Å; E15-K17 VanDerWaalsContact C-N 3.31Å; E15-K17 PolarHBondContact O-N 3.03Å; E15-Q18 PolarHBondContact O-N 3.22Å; E15-Q19 PolarHBondContact O-N 3.12Å
16	E	57.6	Low	53.3	Low	106 Å²	106	123 Å²	123	50%	0.495	59%	0.587	S	S	.	*	H	α-helix	trans	-64.2	-35.6	174.9	-78.8	-174.5	172.1	0	0	112.1	Q12 Q20	Q12-E16 WeakPolarHBondContact O-CB 3.24Å; Q12-E16 WeakPolarHBondContact O-CG 3.46Å; Q12-E16 PolarHBondContact O-N 2.89Å; E16-Q20 WeakPolarHBondContact O-CB 3.37Å; E16-Q20 WeakPolarHBondContact O-CG 3.47Å; E16-Q20 PolarHBondContact O-N 2.94Å
17	K	54.8	Low	52.3	Low	149 Å²	149	122.3 Å²	122.3	65%	0.648	58%	0.584	S	S	*	*	H	α-helix	trans	-67.8	-38.7	173.2	-89.5	-178	175.3	179.1	0	112.5	Q13 E14 E15 Q21	Q13-K17 WeakPolarHBondContact O-CB 3.39Å; Q13-K17 WeakPolarHBondContact O-CG 3.39Å; Q13-K17 PolarHBondContact O-N 2.78Å; Q13-K17 VanDerWaalsContact O-N 3.11Å; E14-K17 PolarHBondContact O-N 3.14Å; E15-K17 VanDerWaalsContact C-N 3.31Å; E15-K17 PolarHBondContact O-N 3.03Å; K17-Q21 VanDerWaalsContact O-CB 3.29Å; K17-Q21 WeakPolarHBondContact O-CB 3.49Å; K17-Q21 PolarHBondContact O-N 3.41Å
18	Q	46.9	Very low	50.7	Low	119 Å²	119	118.9 Å²	118.9	56%	0.556	58%	0.584	S	S	*	*	H	α-helix	trans	-66.5	-42	175	-85.9	172.6	4.8	0	0	111.6	E14 E15 Q20 Q21 E22	E14-Q18 PolarHBondContact O-N 2.94Å; E15-Q18 PolarHBondContact O-N 3.22Å; Q18-Q20 PolarHBondContact O-N 3.37Å; Q18-Q21 PolarHBondContact O-N 3.06Å; Q18-Q21 VanDerWaalsContact O-N 3.14Å; Q18-E22 WeakPolarHBondContact O-CG 3.44Å; Q18-E22 PolarHBondContact O-N 3.26Å
19	Q	46.6	Very low	49.8	Very low	125 Å²	125	122.2 Å²	122.2	58%	0.584	60%	0.599	S	S	*	*	H	α-helix	trans	-63	-42.4	174.8	-81.2	171.9	3.8	0	0	112.6	E15 Q21 E22 E23	E15-Q19 PolarHBondContact O-N 3.12Å; Q19-Q21 PolarHBondContact O-N 3.3Å; Q19-E22 PolarHBondContact O-N 2.68Å; Q19-E23 PolarHBondContact O-N 3.02Å
20	Q	45.7	Very low	48.3	Very low	110 Å²	110	119.4 Å²	119.4	51%	0.514	60%	0.604	S	S	.	*	H	α-helix	trans	-68.9	-22.6	175.1	-74.1	173.3	39.6	0	0	113.3	E16 Q18 K24	E16-Q20 WeakPolarHBondContact O-CB 3.37Å; E16-Q20 WeakPolarHBondContact O-CG 3.47Å; E16-Q20 PolarHBondContact O-N 2.94Å; Q18-Q20 PolarHBondContact O-N 3.37Å; Q20-K24 VanDerWaalsContact O-CG 3.3Å; Q20-K24 WeakPolarHBondContact O-CG 3.37Å; Q20-K24 PolarHBondContact O-N 3.44Å
21	Q	39.5	Very low	47.4	Very low	112 Å²	112	120.9 Å²	120.9	52%	0.523	61%	0.611	S	S	.	*	H	α-helix	trans	-83	-37.3	176	-167.8	161.3	-12.5	0	0	111.4	K17 Q18 Q19 K24 E25	K17-Q21 VanDerWaalsContact O-CB 3.29Å; K17-Q21 WeakPolarHBondContact O-CB 3.49Å; K17-Q21 PolarHBondContact O-N 3.41Å; Q18-Q21 PolarHBondContact O-N 3.06Å; Q18-Q21 VanDerWaalsContact O-N 3.14Å; Q19-Q21 PolarHBondContact O-N 3.3Å; Q21-K24 PolarHBondContact O-N 3.34Å; Q21-E25 WeakPolarHBondContact O-CG 3.35Å; Q21-E25 PolarHBondContact O-N 3.46Å
22	E	39.6	Very low	46.5	Very low	141 Å²	141	116.3 Å²	116.3	66%	0.659	60%	0.596	S	S	*	*	H	α-helix	trans	-65.8	-37.5	170.8	-72.7	-178	169.6	0	0	112	Q18 Q19 K24 E25 G26	Q18-E22 WeakPolarHBondContact O-CG 3.44Å; Q18-E22 PolarHBondContact O-N 3.26Å; Q19-E22 PolarHBondContact O-N 2.68Å; E22-K24 VanDerWaalsContact C-N 3.28Å; E22-K24 PolarHBondContact O-N 2.95Å; E22-E25 PolarHBondContact O-N 2.93Å; E22-G26 PolarHBondContact O-N 3.36Å
23	E	40.1	Very low	45.9	Very low	151 Å²	151	114.2 Å²	114.2	71%	0.706	59%	0.587	S	S	*	*	H	α-helix	trans	-65.4	-29.8	171.1	-78.6	-175	163.6	0	0	112.7	Q19	Q19-E23 PolarHBondContact O-N 3.02Å
24	K	40.2	Very low	45.4	Very low	148 Å²	148	109 Å²	109	64%	0.643	56%	0.564	S	S	*	*	H	α-helix	trans	-79.2	-30	175.3	-80.9	179.2	179.6	-179.5	0	113.6	Q20 Q21 E22 G26	Q20-K24 VanDerWaalsContact O-CG 3.3Å; Q20-K24 WeakPolarHBondContact O-CG 3.37Å; Q20-K24 PolarHBondContact O-N 3.44Å; Q21-K24 PolarHBondContact O-N 3.34Å; E22-K24 VanDerWaalsContact C-N 3.28Å; E22-K24 PolarHBondContact O-N 2.95Å; K24-G26 VanDerWaalsContact C-N 3.32Å
25	E	38	Very low	44.7	Very low	146 Å²	146	104.6 Å²	104.6	68%	0.682	55%	0.554	S	S	*	*	H	α-helix	trans	-79.5	-15.4	177	-73.3	-179.2	-175.2	0	0	112.6	Q21 E22	Q21-E25 WeakPolarHBondContact O-CG 3.35Å; Q21-E25 PolarHBondContact O-N 3.46Å; E22-E25 PolarHBondContact O-N 2.93Å
26	G	37.6	Very low	44.5	Very low	63 Å²	63	104.6 Å²	104.6	65%	0.649	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-12.7	178	0	0	0	0	0	116.7	E22 K24	E22-G26 PolarHBondContact O-N 3.36Å; K24-G26 VanDerWaalsContact C-N 3.32Å
27	E	45.5	Very low	44.5	Very low	109 Å²	109	105.4 Å²	105.4	51%	0.509	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.5	32.7	-174.5	-63	-160.1	155.2	0	0	113.8	R112	E27-R112 IonicContact OE1-NH1 3.91Å; E27-R112 PolarHBondContact OE1-NH1 3.27Å; E27-R112 IonicContact OE2-CZ 3.79Å; E27-R112 IonicContact OE2-NH1 2.85Å; E27-R112 PolarHBondContact OE2-NH1 3.39Å
28	G	33	Very low	45	Very low	59 Å²	59	100.3 Å²	100.3	61%	0.608	53%	0.533	S	S	*	.	S	Bend	trans	-98.7	111.2	167.7	0	0	0	0	0	111.1
29	E	46.8	Very low	45.8	Very low	180 Å²	180	95.9 Å²	95.9	84%	0.841	52%	0.52	S	S	*	.	S	Bend	trans	26.9	94.7	156.9	-65.2	-174.6	156.6	0	0	117.7
30	G	36.3	Very low	47.2	Very low	67 Å²	67	92.4 Å²	92.4	69%	0.691	51%	0.507	S	S	*	.			trans	157.9	114.3	165.1	0	0	0	0	0	109.5	G32	G30-G32 PolarHBondContact O-N 2.85Å
31	E	42.8	Very low	48.9	Very low	162 Å²	162	89.5 Å²	89.5	76%	0.757	50%	0.497	S	S	*	.			trans	-61.8	84.3	163.8	-73.1	179.8	158.3	0	0	108.4	Q36	E31-Q36 HydrophobicContact CB-CG 4.43Å
32	G	43.4	Very low	50.9	Low	25 Å²	25	84.6 Å²	84.6	26%	0.258	48%	0.475	S	S	.	.			trans	-61	163.6	166.8	0	0	0	0	0	109.9	G30 G34 G35 Q36	G30-G32 PolarHBondContact O-N 2.85Å; G32-G34 PolarHBondContact O-N 2.85Å; G32-G35 WeakPolarHBondContact O-CA 3.31Å; G32-G35 PolarHBondContact O-N 2.95Å; G32-Q36 PolarHBondContact O-N 3.17Å; G32-Q36 VanDerWaalsContact O-N 3.07Å
33	E	47.4	Very low	53	Low	76 Å²	76	83 Å²	83	36%	0.355	47%	0.468	S	S	.	.	H	α-helix	trans	-55.4	-26.5	-174.4	-64.8	-171.6	145.8	0	0	112.9	Q36 R37 C142	E33-Q36 PolarHBondContact O-N 3.1Å; E33-R37 WeakPolarHBondContact O-CB 3.2Å; E33-R37 WeakPolarHBondContact O-CG 3.48Å; E33-R37 PolarHBondContact O-N 3.28Å; E33-C142 HydrophobicContact CB-CB 3.96Å; E33-C142 WeakPolarHBondContact CB-O 3.27Å; E33-C142 WeakPolarHBondContact CG-O 3.47Å
34	G	48.1	Very low	55.2	Low	9 Å²	9	83.1 Å²	83.1	9%	0.093	46%	0.461	C	S	.	.	H	α-helix	trans	-59.6	-45.6	170.8	0	0	0	0	0	113.2	G32 R37 V38	G32-G34 PolarHBondContact O-N 2.85Å; G34-R37 PolarHBondContact O-N 3.37Å; G34-V38 PolarHBondContact O-N 2.95Å
35	G	50.6	Low	57.3	Low	36 Å²	36	78.3 Å²	78.3	37%	0.371	44%	0.442	S	S	.	.	H	α-helix	trans	-65.6	-40.8	172.5	0	0	0	0	0	112.4	G32 R37 V38 G39	G32-G35 WeakPolarHBondContact O-CA 3.31Å; G32-G35 PolarHBondContact O-N 2.95Å; G35-R37 VanDerWaalsContact C-N 3.28Å; G35-R37 PolarHBondContact O-N 2.78Å; G35-V38 PolarHBondContact O-N 3.01Å; G35-G39 PolarHBondContact O-N 3.38Å
36	Q	54	Low	59.6	Low	103 Å²	103	73.1 Å²	73.1	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-36.4	175.4	-66.1	179	-16.7	0	0	112.4	E31 G32 E33 T40	E31-Q36 HydrophobicContact CB-CG 4.43Å; G32-Q36 PolarHBondContact O-N 3.17Å; G32-Q36 VanDerWaalsContact O-N 3.07Å; E33-Q36 PolarHBondContact O-N 3.1Å; Q36-T40 WeakPolarHBondContact O-CB 3.47Å; Q36-T40 PolarHBondContact O-N 2.79Å; Q36-T40 PolarHBondContact O-OG1 3.44Å
37	R	57.1	Low	61.9	Low	124 Å²	124	76.4 Å²	76.4	47%	0.468	42%	0.418	S	S	.	.	H	α-helix	trans	-74.4	-35	179	-71.3	175.8	70.5	-147.6	-3	112.9	E33 G34 G35 T40 V41	E33-R37 WeakPolarHBondContact O-CB 3.2Å; E33-R37 WeakPolarHBondContact O-CG 3.48Å; E33-R37 PolarHBondContact O-N 3.28Å; G34-R37 PolarHBondContact O-N 3.37Å; G35-R37 VanDerWaalsContact C-N 3.28Å; G35-R37 PolarHBondContact O-N 2.78Å; R37-T40 WeakPolarHBondContact O-CB 3.47Å; R37-T40 PolarHBondContact O-N 3.34Å; R37-V41 PolarHBondContact O-N 3.34Å
38	V	65.4	Low	64.1	Low	41 Å²	41	77.1 Å²	77.1	25%	0.248	43%	0.426	C	S	.	.	H	α-helix	trans	-66.6	-45.9	170	174.8	0	0	0	0	110	G34 G35 T40 V41 C42 L132	G34-V38 PolarHBondContact O-N 2.95Å; G35-V38 PolarHBondContact O-N 3.01Å; V38-T40 VanDerWaalsContact C-N 3.26Å; V38-T40 PolarHBondContact O-N 2.9Å; V38-V41 WeakPolarHBondContact O-CA 3.4Å; V38-V41 WeakPolarHBondContact O-CB 3.46Å; V38-V41 PolarHBondContact O-N 2.8Å; V38-C42 PolarHBondContact O-N 3.03Å; V38-L132 HydrophobicContact CG1-CD1 4.37Å; V38-L132 HydrophobicContact CG2-CD1 4.14Å
39	G	65.1	Low	66.7	Low	26 Å²	26	81.5 Å²	81.5	27%	0.268	43%	0.428	S	S	.	.	H	α-helix	trans	-55.4	-40.7	173.2	0	0	0	0	0	112.5	G35 V41 C42 E43	G35-G39 PolarHBondContact O-N 3.38Å; G39-V41 VanDerWaalsContact C-N 3.31Å; G39-V41 PolarHBondContact O-N 3.04Å; G39-C42 PolarHBondContact O-N 2.93Å; G39-E43 WeakPolarHBondContact O-CB 3.38Å; G39-E43 PolarHBondContact O-N 3.22Å
40	T	75	Confident	68.5	Low	52 Å²	52	75.9 Å²	75.9	32%	0.319	42%	0.419	S	S	.	.	H	α-helix	trans	-61.9	-35.6	174.9	-57.3	0	0	0	0	112.5	Q36 R37 V38 R44	Q36-T40 WeakPolarHBondContact O-CB 3.47Å; Q36-T40 PolarHBondContact O-N 2.79Å; Q36-T40 PolarHBondContact O-OG1 3.44Å; R37-T40 WeakPolarHBondContact O-CB 3.47Å; R37-T40 PolarHBondContact O-N 3.34Å; V38-T40 VanDerWaalsContact C-N 3.26Å; V38-T40 PolarHBondContact O-N 2.9Å; T40-R44 VanDerWaalsContact O-CG 3.27Å; T40-R44 WeakPolarHBondContact O-CG 3.38Å; T40-R44 PolarHBondContact O-N 3.4Å
41	V	81.3	Confident	71.1	Confident	49 Å²	49	75 Å²	75	30%	0.297	40%	0.398	S	S	.	.	H	α-helix	trans	-70.4	-46.3	175.3	173.6	0	0	0	0	110.4	R37 V38 G39 E43 R44 M45	R37-V41 PolarHBondContact O-N 3.34Å; V38-V41 WeakPolarHBondContact O-CA 3.4Å; V38-V41 WeakPolarHBondContact O-CB 3.46Å; V38-V41 PolarHBondContact O-N 2.8Å; G39-V41 VanDerWaalsContact C-N 3.31Å; G39-V41 PolarHBondContact O-N 3.04Å; V41-E43 VanDerWaalsContact C-N 3.33Å; V41-E43 PolarHBondContact O-N 3.09Å; V41-R44 PolarHBondContact O-N 2.79Å; V41-M45 HydrophobicContact CG1-CE 3.69Å; V41-M45 HydrophobicContact CG1-SD 4.16Å; V41-M45 WeakPolarHBondContact O-CG 2.97Å; V41-M45 PolarHBondContact O-N 3.12Å
42	C	82.6	Confident	73.3	Confident	10 Å²	10	70.7 Å²	70.7	7%	0.068	38%	0.378	C	S	.	.	H	α-helix	trans	-60.1	-42.4	177.5	-65.7	0	0	0	0	112.3	V38 G39 M45 T46 L106 D108	V38-C42 PolarHBondContact O-N 3.03Å; G39-C42 PolarHBondContact O-N 2.93Å; C42-M45 PolarHBondContact O-N 3.21Å; C42-T46 WeakPolarHBondContact O-CB 3.35Å; C42-T46 PolarHBondContact O-N 3.32Å; C42-T46 PolarHBondContact O-OG1 3.31Å; C42-L106 HydrophobicContact CB-CD2 3.72Å; C42-D108 PolarHBondContact SG-OD2 3.44Å
43	E	83.2	Confident	75.5	Confident	108 Å²	108	73 Å²	73	51%	0.505	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-47.5	177.5	-171.8	-176.1	-175.8	0	0	111.3	G39 V41 M45 T46 Q47	G39-E43 WeakPolarHBondContact O-CB 3.38Å; G39-E43 PolarHBondContact O-N 3.22Å; V41-E43 VanDerWaalsContact C-N 3.33Å; V41-E43 PolarHBondContact O-N 3.09Å; E43-M45 VanDerWaalsContact C-N 3.34Å; E43-M45 PolarHBondContact O-N 3.35Å; E43-T46 WeakPolarHBondContact O-CB 3.43Å; E43-T46 PolarHBondContact O-N 3.44Å; E43-Q47 WeakPolarHBondContact O-CG 3.02Å; E43-Q47 PolarHBondContact O-N 3.45Å; E43-Q47 PolarHBondContact OE1-NE2 2.92Å
44	R	86.2	Confident	77.7	Confident	153 Å²	153	69.5 Å²	69.5	58%	0.577	37%	0.365	S	S	*	.	H	α-helix	trans	-62.7	-39.3	177.1	-73	173.4	-177.2	179.1	3.5	112.4	T40 V41 N48	T40-R44 VanDerWaalsContact O-CG 3.27Å; T40-R44 WeakPolarHBondContact O-CG 3.38Å; T40-R44 PolarHBondContact O-N 3.4Å; V41-R44 PolarHBondContact O-N 2.79Å; R44-N48 VanDerWaalsContact O-CB 3.31Å; R44-N48 WeakPolarHBondContact O-CB 3.48Å; R44-N48 VanDerWaalsContact O-CG 3.26Å; R44-N48 PolarHBondContact O-N 2.9Å; R44-N48 PolarHBondContact O-ND2 2.84Å
45	M	84.6	Confident	79.7	Confident	47 Å²	47	70 Å²	70	23%	0.232	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-44.9	176.6	-74.3	-179.1	176.4	0	0	111.2	V41 C42 E43 Q47 N48 F49 L106 I130	V41-M45 HydrophobicContact CG1-CE 3.69Å; V41-M45 HydrophobicContact CG1-SD 4.16Å; V41-M45 WeakPolarHBondContact O-CG 2.97Å; V41-M45 PolarHBondContact O-N 3.12Å; C42-M45 PolarHBondContact O-N 3.21Å; E43-M45 VanDerWaalsContact C-N 3.34Å; E43-M45 PolarHBondContact O-N 3.35Å; M45-Q47 PolarHBondContact O-N 2.68Å; M45-N48 PolarHBondContact O-N 2.87Å; M45-F49 HydrophobicContact CB-CD2 4.44Å; M45-F49 WeakPolarHBondContact O-CB 3.42Å; M45-F49 WeakPolarHBondContact O-CD2 3.39Å; M45-F49 PolarHBondContact O-N 2.93Å; M45-L106 HydrophobicContact CB-CD2 4.05Å; M45-L106 HydrophobicContact SD-CD2 4.5Å; M45-I130 HydrophobicContact CE-CD1 3.6Å; M45-I130 HydrophobicContact SD-CD1 4.11Å
46	T	86.5	Confident	81.6	Confident	37 Å²	37	68.6 Å²	68.6	23%	0.227	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-48.4	176.5	-58.3	0	0	0	0	111	C42 E43 G50 L51 H53	C42-T46 WeakPolarHBondContact O-CB 3.35Å; C42-T46 PolarHBondContact O-N 3.32Å; C42-T46 PolarHBondContact O-OG1 3.31Å; E43-T46 WeakPolarHBondContact O-CB 3.43Å; E43-T46 PolarHBondContact O-N 3.44Å; T46-G50 WeakPolarHBondContact O-CA 3.41Å; T46-G50 PolarHBondContact O-N 3.39Å; T46-L51 WeakPolarHBondContact CG2-O 3.38Å; T46-H53 HydrophobicContact CG2-CB 4.43Å
47	Q	86.2	Confident	83.3	Confident	131 Å²	131	66.9 Å²	66.9	61%	0.612	35%	0.352	S	S	*	.	H	α-helix	trans	-65.6	-42.2	179.9	-70.5	173.6	3.8	0	0	113.2	E43 M45	E43-Q47 WeakPolarHBondContact O-CG 3.02Å; E43-Q47 PolarHBondContact O-N 3.45Å; E43-Q47 PolarHBondContact OE1-NE2 2.92Å; M45-Q47 PolarHBondContact O-N 2.68Å
48	N	90	Very high	84.9	Confident	124 Å²	124	65.7 Å²	65.7	66%	0.663	35%	0.351	S	S	*	.	H	α-helix	trans	-81.8	-28.5	-174.2	-70.4	-24.7	0	0	0	113.6	R44 M45	R44-N48 VanDerWaalsContact O-CB 3.31Å; R44-N48 WeakPolarHBondContact O-CB 3.48Å; R44-N48 VanDerWaalsContact O-CG 3.26Å; R44-N48 PolarHBondContact O-N 2.9Å; R44-N48 PolarHBondContact O-ND2 2.84Å; M45-N48 PolarHBondContact O-N 2.87Å
49	F	87.5	Confident	86.2	Confident	152 Å²	152	64 Å²	64	67%	0.667	34%	0.34	S	S	*	.	H	α-helix	trans	-115.3	-2.5	-173.5	-60.9	-75.2	0	0	0	113.9	M45 L51	M45-F49 HydrophobicContact CB-CD2 4.44Å; M45-F49 WeakPolarHBondContact O-CB 3.42Å; M45-F49 WeakPolarHBondContact O-CD2 3.39Å; M45-F49 PolarHBondContact O-N 2.93Å; F49-L51 HydrophobicContact CB-CD1 4.28Å; F49-L51 HydrophobicContact CB-CG 3.95Å; F49-L51 PolarHBondContact O-N 3.22Å
50	G	86.1	Confident	87.5	Confident	62 Å²	62	63.9 Å²	63.9	64%	0.639	33%	0.333	S	S	*	.			trans	66.2	27	179.6	0	0	0	0	0	113.5	T46	T46-G50 WeakPolarHBondContact O-CA 3.41Å; T46-G50 PolarHBondContact O-N 3.39Å
51	L	89.2	Confident	88.3	Confident	47 Å²	47	67.2 Å²	67.2	25%	0.246	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-76.6	150.1	176.1	-57.4	177.3	0	0	0	109.9	T46 F49 H104 L106	T46-L51 WeakPolarHBondContact CG2-O 3.38Å; F49-L51 HydrophobicContact CB-CD1 4.28Å; F49-L51 HydrophobicContact CB-CG 3.95Å; F49-L51 PolarHBondContact O-N 3.22Å; L51-H104 HydrophobicContact CD2-CB 3.97Å; L51-L106 HydrophobicContact CB-CB 4.25Å; L51-L106 HydrophobicContact CD1-CB 4.25Å
52	Q	89.8	Confident	88.9	Confident	73 Å²	73	69 Å²	69	34%	0.341	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.7	167.8	-166.7	176.8	6.6	0	0	109.3	L54 T102 H104 W105 L106	Q52-L54 HydrophobicContact CB-CD2 4.41Å; Q52-L54 HydrophobicContact CG-CD2 3.72Å; Q52-T102 PolarHBondContact OE1-OG1 3.39Å; Q52-H104 PolarHBondContact N-O 3.18Å; Q52-W105 WeakPolarHBondContact O-CA 3.46Å; Q52-L106 PolarHBondContact O-N 2.73Å
53	H	90.8	Very high	89.4	Confident	74 Å²	74	69.6 Å²	69.6	34%	0.343	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124.1	174.3	-176.3	-153.1	0	0	0	110.2	T46 D108	T46-H53 HydrophobicContact CG2-CB 4.43Å; H53-D108 IonicContact CE1-OD2 3.62Å; H53-D108 WeakPolarHBondContact NE2-CB 3.46Å; H53-D108 IonicContact NE2-OD2 2.96Å; H53-D108 PolarHBondContact NE2-OD2 3.07Å
54	L	91.7	Very high	89.9	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.4	179.2	-49.5	-177.1	0	0	0	108.2	Q52 F59 L97 R100 W105 L106 L107 D108	Q52-L54 HydrophobicContact CB-CD2 4.41Å; Q52-L54 HydrophobicContact CG-CD2 3.72Å; L54-F59 HydrophobicContact CB-CE2 3.87Å; L54-F59 HydrophobicContact CB-CZ 3.91Å; L54-F59 HydrophobicContact CD2-CZ 3.81Å; L54-F59 HydrophobicContact CG-CZ 4.35Å; L54-L97 HydrophobicContact CD1-CD2 3.4Å; L54-R100 VanDerWaalsContact CD2-NH1 3.31Å; L54-W105 HydrophobicContact CD1-CB 3.8Å; L54-W105 HydrophobicContact CD1-CD2 4.09Å; L54-W105 HydrophobicContact CD1-CG 3.56Å; L54-W105 HydrophobicContact CG-CB 4.37Å; L54-W105 HydrophobicContact CG-CG 4.48Å; L54-L106 PolarHBondContact N-O 2.93Å; L54-L107 HydrophobicContact CB-CD2 3.88Å; L54-L107 HydrophobicContact CD1-CD2 3.75Å; L54-L107 HydrophobicContact CG-CD2 4.26Å; L54-L107 WeakPolarHBondContact O-CA 3.36Å; L54-D108 PolarHBondContact O-N 3.34Å
55	S	91	Very high	90.3	Very high	20 Å²	20	65.3 Å²	65.3	14%	0.14	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.6	-179.8	171.1	0	0	0	0	110.1	S57 H58 F59	S55-S57 PolarHBondContact O-N 3.41Å; S55-S57 PolarHBondContact OG-N 3.08Å; S55-H58 WeakPolarHBondContact O-CB 3.47Å; S55-H58 PolarHBondContact O-N 3.48Å; S55-F59 WeakPolarHBondContact O-CD2 3.36Å; S55-F59 PolarHBondContact O-N 3.46Å; S55-F59 VanDerWaalsContact O-N 3.12Å
56	S	91.2	Very high	90.7	Very high	7 Å²	7	66.4 Å²	66.4	5%	0.049	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-36.5	175.5	53.5	0	0	0	0	112.2	H58 L60 M93	S56-H58 VanDerWaalsContact C-N 3.34Å; S56-L60 VanDerWaalsContact O-CB 3.23Å; S56-L60 WeakPolarHBondContact O-CB 3.49Å; S56-L60 PolarHBondContact O-N 3.41Å; S56-M93 WeakPolarHBondContact CA-SD 3.35Å
57	S	88.6	Confident	91	Very high	67 Å²	67	68.2 Å²	68.2	47%	0.469	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-42	178.4	-36.9	0	0	0	0	111.1	S55 L60 Q61	S55-S57 PolarHBondContact O-N 3.41Å; S55-S57 PolarHBondContact OG-N 3.08Å; S57-L60 PolarHBondContact O-N 3.33Å; S57-Q61 WeakPolarHBondContact O-CG 3.35Å; S57-Q61 PolarHBondContact O-N 2.78Å
58	H	91.1	Very high	91.3	Very high	99 Å²	99	64.1 Å²	64.1	46%	0.458	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-52.2	177.7	-179.3	72.5	0	0	0	111.1	S55 S56 L60 Q61 E62	S55-H58 WeakPolarHBondContact O-CB 3.47Å; S55-H58 PolarHBondContact O-N 3.48Å; S56-H58 VanDerWaalsContact C-N 3.34Å; H58-L60 VanDerWaalsContact C-N 3.26Å; H58-L60 PolarHBondContact O-N 2.87Å; H58-Q61 PolarHBondContact O-N 2.92Å; H58-Q61 VanDerWaalsContact O-N 3.15Å; H58-E62 IonicContact CD2-OE2 3.87Å; H58-E62 IonicContact CE1-OE1 2.97Å; H58-E62 IonicContact NE2-OE1 2.78Å; H58-E62 PolarHBondContact NE2-OE1 3.4Å; H58-E62 IonicContact NE2-OE2 3.89Å; H58-E62 PolarHBondContact O-N 3.29Å
59	F	92.6	Very high	91.4	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-63.8	-33.4	178.7	-61.1	-39.4	0	0	0	112.9	L54 S55 E62 N63 L92 M93 E96	L54-F59 HydrophobicContact CB-CE2 3.87Å; L54-F59 HydrophobicContact CB-CZ 3.91Å; L54-F59 HydrophobicContact CD2-CZ 3.81Å; L54-F59 HydrophobicContact CG-CZ 4.35Å; S55-F59 WeakPolarHBondContact O-CD2 3.36Å; S55-F59 PolarHBondContact O-N 3.46Å; S55-F59 VanDerWaalsContact O-N 3.12Å; F59-E62 WeakPolarHBondContact CD1-OE2 3.44Å; F59-E62 PolarHBondContact O-N 2.95Å; F59-N63 WeakPolarHBondContact O-CB 3.48Å; F59-N63 PolarHBondContact O-N 2.78Å; F59-N63 PolarHBondContact O-ND2 3.33Å; F59-L92 HydrophobicContact CB-CD1 4.19Å; F59-L92 HydrophobicContact CB-CD2 4.05Å; F59-L92 HydrophobicContact CB-CG 4.16Å; F59-M93 HydrophobicContact CD2-CE 4.4Å; F59-M93 HydrophobicContact CD2-SD 3.65Å; F59-M93 HydrophobicContact CE2-CE 4.3Å; F59-M93 HydrophobicContact CE2-SD 4.14Å; F59-E96 HydrophobicContact CB-CG 4.19Å; F59-E96 HydrophobicContact CD1-CG 4.19Å; F59-E96 HydrophobicContact CD2-CB 4.02Å; F59-E96 HydrophobicContact CD2-CG 3.82Å; F59-E96 HydrophobicContact CE2-CB 4.01Å; F59-E96 HydrophobicContact CE2-CG 4.23Å; F59-E96 HydrophobicContact CG-CB 4.47Å; F59-E96 HydrophobicContact CG-CG 3.81Å; F59-E96 HydrophobicContact CZ-CB 4.49Å
60	L	92.7	Very high	91.6	Very high	24 Å²	24	58.9 Å²	58.9	13%	0.126	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-46.6	175.6	-172.4	65.9	0	0	0	110.3	S56 S57 H58 N63 L64 A74 V84 I89 L92	S56-L60 VanDerWaalsContact O-CB 3.23Å; S56-L60 WeakPolarHBondContact O-CB 3.49Å; S56-L60 PolarHBondContact O-N 3.41Å; S57-L60 PolarHBondContact O-N 3.33Å; H58-L60 VanDerWaalsContact C-N 3.26Å; H58-L60 PolarHBondContact O-N 2.87Å; L60-N63 PolarHBondContact O-N 2.97Å; L60-L64 HydrophobicContact CG-CD1 4.1Å; L60-L64 WeakPolarHBondContact O-CB 3.36Å; L60-L64 WeakPolarHBondContact O-CD1 3.48Å; L60-L64 WeakPolarHBondContact O-CG 3.44Å; L60-L64 PolarHBondContact O-N 3.32Å; L60-A74 HydrophobicContact CD1-CB 3.62Å; L60-V84 HydrophobicContact CD2-CG2 4.28Å; L60-I89 HydrophobicContact CD1-CD1 4.08Å; L60-I89 HydrophobicContact CD2-CD1 4.04Å; L60-L92 HydrophobicContact CB-CD2 4.02Å; L60-L92 HydrophobicContact CD1-CD2 4.04Å
61	Q	92.1	Very high	91.9	Very high	123 Å²	123	56 Å²	56	58%	0.575	30%	0.304	S	S	*	.	H	α-helix	trans	-62.2	-42.7	175.1	-72.3	-174.4	41.1	0	0	112.6	S57 H58 N63 L64 N65	S57-Q61 WeakPolarHBondContact O-CG 3.35Å; S57-Q61 PolarHBondContact O-N 2.78Å; H58-Q61 PolarHBondContact O-N 2.92Å; H58-Q61 VanDerWaalsContact O-N 3.15Å; Q61-N63 VanDerWaalsContact C-N 3.33Å; Q61-N63 PolarHBondContact O-N 3.06Å; Q61-L64 PolarHBondContact O-N 3.4Å; Q61-N65 WeakPolarHBondContact O-CB 3.43Å; Q61-N65 PolarHBondContact O-N 3.49Å; Q61-N65 PolarHBondContact O-ND2 3.18Å; Q61-N65 VanDerWaalsContact O-ND2 3.13Å
62	E	93.7	Very high	92.1	Very high	87 Å²	87	57.2 Å²	57.2	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-44.7	175.9	-71.1	-170.2	136.3	0	0	111.7	H58 F59 N65 A66	H58-E62 IonicContact CD2-OE2 3.87Å; H58-E62 IonicContact CE1-OE1 2.97Å; H58-E62 IonicContact NE2-OE1 2.78Å; H58-E62 PolarHBondContact NE2-OE1 3.4Å; H58-E62 IonicContact NE2-OE2 3.89Å; H58-E62 PolarHBondContact O-N 3.29Å; F59-E62 WeakPolarHBondContact CD1-OE2 3.44Å; F59-E62 PolarHBondContact O-N 2.95Å; E62-N65 PolarHBondContact O-N 2.97Å; E62-A66 VanDerWaalsContact O-CB 3.25Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 3.2Å
63	N	93.3	Very high	92.3	Very high	21 Å²	21	55.9 Å²	55.9	11%	0.112	31%	0.308	C	S	.	.	H	α-helix	trans	-69	-37.7	179.8	-84.7	-97.9	0	0	0	112.5	F59 L60 Q61 A66 S67 T68 L92	F59-N63 WeakPolarHBondContact O-CB 3.48Å; F59-N63 PolarHBondContact O-N 2.78Å; F59-N63 PolarHBondContact O-ND2 3.33Å; L60-N63 PolarHBondContact O-N 2.97Å; Q61-N63 VanDerWaalsContact C-N 3.33Å; Q61-N63 PolarHBondContact O-N 3.06Å; N63-A66 PolarHBondContact O-N 3.35Å; N63-S67 PolarHBondContact O-N 3.44Å; N63-S67 VanDerWaalsContact O-N 3.08Å; N63-T68 HydrophobicContact CB-CG2 4.45Å; N63-T68 WeakPolarHBondContact CB-OG1 3.38Å; N63-T68 PolarHBondContact O-N 2.98Å; N63-T68 WeakPolarHBondContact OD1-CB 3.27Å; N63-T68 WeakPolarHBondContact OD1-CG2 3.36Å; N63-T68 PolarHBondContact OD1-OG1 2.8Å; N63-L92 HydrophobicContact CB-CD1 4.38Å; N63-L92 VanDerWaalsContact ND2-CD1 3.27Å; N63-L92 WeakPolarHBondContact ND2-CD1 3.38Å
64	L	93	Very high	92.3	Very high	37 Å²	37	52.3 Å²	52.3	19%	0.194	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-45.7	171.9	-73.3	166.4	0	0	0	111.2	L60 Q61 S67 G71 A74 K75 L78	L60-L64 HydrophobicContact CG-CD1 4.1Å; L60-L64 WeakPolarHBondContact O-CB 3.36Å; L60-L64 WeakPolarHBondContact O-CD1 3.48Å; L60-L64 WeakPolarHBondContact O-CG 3.44Å; L60-L64 PolarHBondContact O-N 3.32Å; Q61-L64 PolarHBondContact O-N 3.4Å; L64-S67 PolarHBondContact O-N 3.33Å; L64-G71 VanDerWaalsContact CD2-O 3.23Å; L64-G71 WeakPolarHBondContact CD2-O 3.35Å; L64-A74 HydrophobicContact CD2-CB 4.28Å; L64-K75 HydrophobicContact CD2-CB 3.63Å; L64-K75 HydrophobicContact CD2-CG 4.36Å; L64-L78 HydrophobicContact CD1-CD1 3.75Å; L64-L78 HydrophobicContact CD2-CD1 4.27Å
65	N	94.1	Very high	92.4	Very high	134 Å²	134	56.6 Å²	56.6	72%	0.717	31%	0.31	S	S	*	.	H	α-helix	trans	-69.8	-36	-179.9	-70.1	-28.4	0	0	0	112.5	Q61 E62 S67	Q61-N65 WeakPolarHBondContact O-CB 3.43Å; Q61-N65 PolarHBondContact O-N 3.49Å; Q61-N65 PolarHBondContact O-ND2 3.18Å; Q61-N65 VanDerWaalsContact O-ND2 3.13Å; E62-N65 PolarHBondContact O-N 2.97Å; N65-S67 VanDerWaalsContact C-N 3.29Å; N65-S67 PolarHBondContact O-N 3.25Å
66	A	93.6	Very high	92.6	Very high	70 Å²	70	61.5 Å²	61.5	58%	0.579	33%	0.331	S	S	*	.	H	α-helix	trans	-80.5	-6.1	178.5	0	0	0	0	0	113.7	E62 N63 T68	E62-A66 VanDerWaalsContact O-CB 3.25Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 3.2Å; N63-A66 PolarHBondContact O-N 3.35Å; A66-T68 VanDerWaalsContact C-N 3.31Å; A66-T68 HydrophobicContact CB-CG2 3.95Å; A66-T68 PolarHBondContact O-N 3.25Å
67	S	92.5	Very high	92.8	Very high	76 Å²	76	64.7 Å²	64.7	53%	0.531	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	48	-176.8	-50.3	0	0	0	0	112.2	N63 L64 N65	N63-S67 PolarHBondContact O-N 3.44Å; N63-S67 VanDerWaalsContact O-N 3.08Å; L64-S67 PolarHBondContact O-N 3.33Å; N65-S67 VanDerWaalsContact C-N 3.29Å; N65-S67 PolarHBondContact O-N 3.25Å
68	T	93.3	Very high	92.9	Very high	45 Å²	45	64.4 Å²	64.4	28%	0.276	34%	0.335	S	S	.	.			trans	-76.8	164	173.5	71.6	0	0	0	0	110.1	N63 A66 V70 G71 D72	N63-T68 HydrophobicContact CB-CG2 4.45Å; N63-T68 WeakPolarHBondContact CB-OG1 3.38Å; N63-T68 PolarHBondContact O-N 2.98Å; N63-T68 WeakPolarHBondContact OD1-CB 3.27Å; N63-T68 WeakPolarHBondContact OD1-CG2 3.36Å; N63-T68 PolarHBondContact OD1-OG1 2.8Å; A66-T68 VanDerWaalsContact C-N 3.31Å; A66-T68 HydrophobicContact CB-CG2 3.95Å; A66-T68 PolarHBondContact O-N 3.25Å; T68-V70 PolarHBondContact O-N 2.96Å; T68-G71 CarbonylContact O-C 3.59Å; T68-G71 WeakPolarHBondContact O-CA 3.46Å; T68-G71 PolarHBondContact O-N 3.15Å; T68-G71 PolarHBondContact OG1-N 3.05Å; T68-D72 PolarHBondContact O-N 2.89Å
69	E	92.2	Very high	93.1	Very high	144 Å²	144	66.2 Å²	66.2	67%	0.673	34%	0.344	S	S	*	.	H	α-helix	trans	-55.1	-40.1	176.3	-173.6	-171.7	170.6	0	0	112.4	T73	E69-T73 WeakPolarHBondContact O-CB 3.4Å; E69-T73 PolarHBondContact O-N 3.38Å; E69-T73 VanDerWaalsContact O-N 3.09Å; E69-T73 PolarHBondContact O-OG1 3.31Å
70	V	91.8	Very high	93.2	Very high	22 Å²	22	71.7 Å²	71.7	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-69.6	-41.6	176.4	175.5	0	0	0	0	110.9	T68 T73 A74 V88 L92	T68-V70 PolarHBondContact O-N 2.96Å; V70-T73 PolarHBondContact O-N 3.34Å; V70-A74 WeakPolarHBondContact O-CB 3.42Å; V70-A74 PolarHBondContact O-N 2.95Å; V70-V88 HydrophobicContact CG1-CG1 4Å; V70-L92 HydrophobicContact CG1-CB 4.05Å; V70-L92 HydrophobicContact CG1-CD1 4.26Å
71	G	92.4	Very high	93.2	Very high	0 Å²	0	74 Å²	74	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-60.6	-49.3	175.2	0	0	0	0	0	112.4	L64 T68 T73 A74 K75	L64-G71 VanDerWaalsContact CD2-O 3.23Å; L64-G71 WeakPolarHBondContact CD2-O 3.35Å; T68-G71 CarbonylContact O-C 3.59Å; T68-G71 WeakPolarHBondContact O-CA 3.46Å; T68-G71 PolarHBondContact O-N 3.15Å; T68-G71 PolarHBondContact OG1-N 3.05Å; G71-T73 VanDerWaalsContact C-N 3.32Å; G71-T73 PolarHBondContact O-N 3.37Å; G71-A74 PolarHBondContact O-N 2.98Å; G71-K75 WeakPolarHBondContact O-CB 3.39Å; G71-K75 PolarHBondContact O-N 3.31Å
72	D	93.4	Very high	93.2	Very high	74 Å²	74	72.7 Å²	72.7	40%	0.396	40%	0.4	S	S	.	.	H	α-helix	trans	-61.2	-41.3	178.3	-73.5	-19.2	0	0	0	111.6	T68 K75 Q76	T68-D72 PolarHBondContact O-N 2.89Å; D72-K75 PolarHBondContact O-N 3.22Å; D72-Q76 WeakPolarHBondContact O-CG 3.25Å; D72-Q76 PolarHBondContact O-N 3.43Å
73	T	92.6	Very high	93	Very high	44 Å²	44	73.5 Å²	73.5	27%	0.27	41%	0.407	S	S	.	.	H	α-helix	trans	-61	-49.4	174.3	-58.6	0	0	0	0	110.7	E69 V70 G71 K75 Q76 Y77 V88	E69-T73 WeakPolarHBondContact O-CB 3.4Å; E69-T73 PolarHBondContact O-N 3.38Å; E69-T73 VanDerWaalsContact O-N 3.09Å; E69-T73 PolarHBondContact O-OG1 3.31Å; V70-T73 PolarHBondContact O-N 3.34Å; G71-T73 VanDerWaalsContact C-N 3.32Å; G71-T73 PolarHBondContact O-N 3.37Å; T73-K75 VanDerWaalsContact C-N 3.33Å; T73-K75 PolarHBondContact O-N 3.24Å; T73-Q76 PolarHBondContact O-N 3Å; T73-Y77 HydrophobicContact CG2-CE2 4.01Å; T73-Y77 WeakPolarHBondContact O-CD2 3.44Å; T73-V88 HydrophobicContact CG2-CG2 4.31Å
74	A	92.6	Very high	93	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-62.2	-40.3	178.7	0	0	0	0	0	112.3	L60 L64 V70 G71 Q76 Y77 L78 V84	L60-A74 HydrophobicContact CD1-CB 3.62Å; L64-A74 HydrophobicContact CD2-CB 4.28Å; V70-A74 WeakPolarHBondContact O-CB 3.42Å; V70-A74 PolarHBondContact O-N 2.95Å; G71-A74 PolarHBondContact O-N 2.98Å; A74-Q76 VanDerWaalsContact C-N 3.28Å; A74-Q76 PolarHBondContact O-N 3.42Å; A74-Y77 PolarHBondContact O-N 2.85Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 2.89Å; A74-L78 VanDerWaalsContact O-N 3.09Å; A74-V84 HydrophobicContact CB-CG1 4.13Å; A74-V84 HydrophobicContact CB-CG2 4.06Å
75	K	93.8	Very high	93	Very high	91 Å²	91	73.3 Å²	73.3	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-57.4	-40.6	178.4	-173	170.5	173.6	175.9	0	112	L64 G71 D72 T73 Y77 L78 E79	L64-K75 HydrophobicContact CD2-CB 3.63Å; L64-K75 HydrophobicContact CD2-CG 4.36Å; G71-K75 WeakPolarHBondContact O-CB 3.39Å; G71-K75 PolarHBondContact O-N 3.31Å; D72-K75 PolarHBondContact O-N 3.22Å; T73-K75 VanDerWaalsContact C-N 3.33Å; T73-K75 PolarHBondContact O-N 3.24Å; K75-Y77 VanDerWaalsContact C-N 3.29Å; K75-Y77 PolarHBondContact O-N 3.13Å; K75-L78 PolarHBondContact O-N 2.92Å; K75-E79 WeakPolarHBondContact CE-OE1 3.44Å; K75-E79 HydrophobicContact CG-CG 4.08Å; K75-E79 IonicContact NZ-OE1 3.92Å; K75-E79 WeakPolarHBondContact O-CB 3.31Å; K75-E79 WeakPolarHBondContact O-CG 3.17Å; K75-E79 PolarHBondContact O-N 3.27Å
76	Q	94.8	Very high	92.8	Very high	123 Å²	123	70 Å²	70	58%	0.575	39%	0.39	S	S	*	.	H	α-helix	trans	-60.5	-36.7	176.4	-70.1	174.8	-5.3	0	0	112.8	D72 T73 A74 N80	D72-Q76 WeakPolarHBondContact O-CG 3.25Å; D72-Q76 PolarHBondContact O-N 3.43Å; T73-Q76 PolarHBondContact O-N 3Å; A74-Q76 VanDerWaalsContact C-N 3.28Å; A74-Q76 PolarHBondContact O-N 3.42Å; Q76-N80 PolarHBondContact O-ND2 3.43Å
77	Y	94.9	Very high	92.8	Very high	73 Å²	73	72 Å²	72	29%	0.286	39%	0.387	S	S	.	.	H	α-helix	trans	-70.3	-48.9	175.5	-69.4	-83.4	0	0	0	110.7	T73 A74 K75 E79 N80 G81 L82 P85	T73-Y77 HydrophobicContact CG2-CE2 4.01Å; T73-Y77 WeakPolarHBondContact O-CD2 3.44Å; A74-Y77 PolarHBondContact O-N 2.85Å; K75-Y77 VanDerWaalsContact C-N 3.29Å; K75-Y77 PolarHBondContact O-N 3.13Å; Y77-E79 PolarHBondContact O-N 2.93Å; Y77-N80 CarbonylContact O-C 3.34Å; Y77-N80 PolarHBondContact O-N 3.23Å; Y77-N80 VanDerWaalsContact O-N 3.09Å; Y77-G81 PolarHBondContact O-N 3.22Å; Y77-L82 CarbonylContact C-O 3.57Å; Y77-L82 HydrophobicContact CD1-CB 4.16Å; Y77-L82 HydrophobicContact CD1-CD1 4.26Å; Y77-L82 WeakPolarHBondContact O-CA 3.23Å; Y77-L82 WeakPolarHBondContact O-CB 3.45Å; Y77-L82 PolarHBondContact O-N 3.09Å; Y77-P85 HydrophobicContact CD1-CG 4.15Å; Y77-P85 HydrophobicContact CD2-CG 4.42Å; Y77-P85 HydrophobicContact CE1-CG 3.68Å; Y77-P85 HydrophobicContact CE2-CG 4.01Å; Y77-P85 HydrophobicContact CG-CG 4.5Å
78	L	91.6	Very high	92.8	Very high	61 Å²	61	68.5 Å²	68.5	32%	0.319	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-43.9	-177	-65.2	173	0	0	0	112.5	L64 A74 K75 N80 G81 V84	L64-L78 HydrophobicContact CD1-CD1 3.75Å; L64-L78 HydrophobicContact CD2-CD1 4.27Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 2.89Å; A74-L78 VanDerWaalsContact O-N 3.09Å; K75-L78 PolarHBondContact O-N 2.92Å; L78-N80 PolarHBondContact O-N 3.2Å; L78-G81 PolarHBondContact O-N 3.09Å; L78-V84 HydrophobicContact CD1-CG2 4.34Å; L78-V84 HydrophobicContact CD2-CG2 3.88Å; L78-V84 HydrophobicContact CG-CG2 3.9Å
79	E	93.6	Very high	92.8	Very high	137 Å²	137	66.7 Å²	66.7	64%	0.64	35%	0.352	S	S	*	.	H	α-helix	trans	-63.7	-23.5	178	-73.2	-179.2	162.5	0	0	113	K75 Y77 G81	K75-E79 WeakPolarHBondContact CE-OE1 3.44Å; K75-E79 HydrophobicContact CG-CG 4.08Å; K75-E79 IonicContact NZ-OE1 3.92Å; K75-E79 WeakPolarHBondContact O-CB 3.31Å; K75-E79 WeakPolarHBondContact O-CG 3.17Å; K75-E79 PolarHBondContact O-N 3.27Å; Y77-E79 PolarHBondContact O-N 2.93Å; E79-G81 VanDerWaalsContact C-N 3.34Å
80	N	94.6	Very high	92.9	Very high	119 Å²	119	60.6 Å²	60.6	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	6.1	174.5	-71.5	-53.7	0	0	0	113	Q76 Y77 L78 L82	Q76-N80 PolarHBondContact O-ND2 3.43Å; Y77-N80 CarbonylContact O-C 3.34Å; Y77-N80 PolarHBondContact O-N 3.23Å; Y77-N80 VanDerWaalsContact O-N 3.09Å; L78-N80 PolarHBondContact O-N 3.2Å; N80-L82 HydrophobicContact CB-CD1 4Å; N80-L82 HydrophobicContact CB-CG 3.98Å; N80-L82 PolarHBondContact O-N 3.36Å
81	G	92.8	Very high	93	Very high	74 Å²	74	65.9 Å²	65.9	76%	0.763	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	23.8	-174.4	0	0	0	0	0	113.1	Y77 L78 E79	Y77-G81 PolarHBondContact O-N 3.22Å; L78-G81 PolarHBondContact O-N 3.09Å; E79-G81 VanDerWaalsContact C-N 3.34Å
82	L	93.3	Very high	93	Very high	94 Å²	94	66.1 Å²	66.1	49%	0.492	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-99.9	147.1	178.9	-58.6	174.9	0	0	0	110.3	Y77 N80	Y77-L82 CarbonylContact C-O 3.57Å; Y77-L82 HydrophobicContact CD1-CB 4.16Å; Y77-L82 HydrophobicContact CD1-CD1 4.26Å; Y77-L82 WeakPolarHBondContact O-CA 3.23Å; Y77-L82 WeakPolarHBondContact O-CB 3.45Å; Y77-L82 PolarHBondContact O-N 3.09Å; N80-L82 HydrophobicContact CB-CD1 4Å; N80-L82 HydrophobicContact CB-CG 3.98Å; N80-L82 PolarHBondContact O-N 3.36Å
83	L	89.3	Confident	93.1	Very high	105 Å²	105	62.6 Å²	62.6	55%	0.55	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-67.8	141.7	171.9	-63.6	175.5	0	0	0	110.5	P85	L83-P85 WeakPolarHBondContact O-CD 3.33Å
84	V	92.7	Very high	93	Very high	21 Å²	21	61.8 Å²	61.8	13%	0.127	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-68.4	125.6	173.7	-178.7	0	0	0	0	108.7	L60 A74 L78 V88 I89	L60-V84 HydrophobicContact CD2-CG2 4.28Å; A74-V84 HydrophobicContact CB-CG1 4.13Å; A74-V84 HydrophobicContact CB-CG2 4.06Å; L78-V84 HydrophobicContact CD1-CG2 4.34Å; L78-V84 HydrophobicContact CD2-CG2 3.88Å; L78-V84 HydrophobicContact CG-CG2 3.9Å; V84-V88 HydrophobicContact CG1-CB 3.81Å; V84-V88 HydrophobicContact CG1-CG1 3.82Å; V84-I89 HydrophobicContact CB-CD1 4.19Å; V84-I89 HydrophobicContact CG1-CD1 3.7Å; V84-I89 HydrophobicContact CG1-CG1 4.04Å
85	P	92.4	Very high	93	Very high	33 Å²	33	64.9 Å²	64.9	21%	0.214	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63	145.1	-177.9	-24.9	34.4	0	0	0	113.5	Y77 L83 H87 V88 I89	Y77-P85 HydrophobicContact CD1-CG 4.15Å; Y77-P85 HydrophobicContact CD2-CG 4.42Å; Y77-P85 HydrophobicContact CE1-CG 3.68Å; Y77-P85 HydrophobicContact CE2-CG 4.01Å; Y77-P85 HydrophobicContact CG-CG 4.5Å; L83-P85 WeakPolarHBondContact O-CD 3.33Å; P85-H87 WeakPolarHBondContact CB-CE1 3.23Å; P85-H87 WeakPolarHBondContact CB-ND1 3.43Å; P85-H87 PolarHBondContact O-N 3.28Å; P85-H87 VanDerWaalsContact O-N 3.1Å; P85-V88 HydrophobicContact CB-CG2 4.26Å; P85-V88 HydrophobicContact CG-CG2 4.38Å; P85-V88 WeakPolarHBondContact O-CB 3.47Å; P85-V88 PolarHBondContact O-N 3.29Å; P85-I89 PolarHBondContact O-N 3.45Å
86	D	91.5	Very high	92.9	Very high	64 Å²	64	62.3 Å²	62.3	34%	0.342	33%	0.33	S	S	.	.	H	α-helix	trans	-48.2	-42	178.3	-89	4.5	0	0	0	114.4	V88 I89 T90 T113 Q116	D86-V88 VanDerWaalsContact C-N 3.25Å; D86-V88 PolarHBondContact O-N 2.72Å; D86-I89 PolarHBondContact O-N 2.88Å; D86-T90 WeakPolarHBondContact O-CB 3.49Å; D86-T90 PolarHBondContact O-N 2.88Å; D86-T90 PolarHBondContact O-OG1 2.96Å; D86-T113 WeakPolarHBondContact OD2-CB 3.48Å; D86-T113 WeakPolarHBondContact OD2-CG2 3.22Å; D86-T113 PolarHBondContact OD2-OG1 2.97Å; D86-Q116 PolarHBondContact OD1-NE2 2.95Å
87	H	92.3	Very high	92.7	Very high	111 Å²	111	56.6 Å²	56.6	51%	0.514	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-29.2	-178.4	71	-91.7	0	0	0	112.5	P85 R91	P85-H87 WeakPolarHBondContact CB-CE1 3.23Å; P85-H87 WeakPolarHBondContact CB-ND1 3.43Å; P85-H87 PolarHBondContact O-N 3.28Å; P85-H87 VanDerWaalsContact O-N 3.1Å; H87-R91 WeakPolarHBondContact O-CB 3.27Å; H87-R91 VanDerWaalsContact O-CG 3.31Å; H87-R91 WeakPolarHBondContact O-CG 3.31Å; H87-R91 PolarHBondContact O-N 3.49Å
88	V	93.1	Very high	92.4	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-70.3	-48.1	175.3	-179.1	0	0	0	0	109.3	V70 T73 V84 P85 D86 T90 R91 L92	V70-V88 HydrophobicContact CG1-CG1 4Å; T73-V88 HydrophobicContact CG2-CG2 4.31Å; V84-V88 HydrophobicContact CG1-CB 3.81Å; V84-V88 HydrophobicContact CG1-CG1 3.82Å; P85-V88 HydrophobicContact CB-CG2 4.26Å; P85-V88 HydrophobicContact CG-CG2 4.38Å; P85-V88 WeakPolarHBondContact O-CB 3.47Å; P85-V88 PolarHBondContact O-N 3.29Å; D86-V88 VanDerWaalsContact C-N 3.25Å; D86-V88 PolarHBondContact O-N 2.72Å; V88-T90 VanDerWaalsContact C-N 3.32Å; V88-T90 PolarHBondContact O-N 2.71Å; V88-R91 PolarHBondContact O-N 3.49Å; V88-L92 WeakPolarHBondContact O-CB 3.18Å; V88-L92 PolarHBondContact O-N 3.22Å
89	I	93.9	Very high	92.2	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-40.6	176.3	-57.8	-57.7	0	0	0	111.3	L60 V84 P85 D86 L92 M93 F110	L60-I89 HydrophobicContact CD1-CD1 4.08Å; L60-I89 HydrophobicContact CD2-CD1 4.04Å; V84-I89 HydrophobicContact CB-CD1 4.19Å; V84-I89 HydrophobicContact CG1-CD1 3.7Å; V84-I89 HydrophobicContact CG1-CG1 4.04Å; P85-I89 PolarHBondContact O-N 3.45Å; D86-I89 PolarHBondContact O-N 2.88Å; I89-L92 WeakPolarHBondContact O-CB 3.42Å; I89-L92 PolarHBondContact O-N 3.01Å; I89-M93 HydrophobicContact CG2-CG 4.33Å; I89-M93 WeakPolarHBondContact O-CB 3.34Å; I89-M93 WeakPolarHBondContact O-CG 2.85Å; I89-M93 PolarHBondContact O-N 3.44Å; I89-F110 HydrophobicContact CG2-CD2 4.32Å
90	T	94.5	Very high	91.8	Very high	16 Å²	16	57.4 Å²	57.4	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-49.1	177.4	-53.5	0	0	0	0	111	D86 V88 L92 M93 V94 Q116 A119	D86-T90 WeakPolarHBondContact O-CB 3.49Å; D86-T90 PolarHBondContact O-N 2.88Å; D86-T90 PolarHBondContact O-OG1 2.96Å; V88-T90 VanDerWaalsContact C-N 3.32Å; V88-T90 PolarHBondContact O-N 2.71Å; T90-L92 VanDerWaalsContact C-N 3.32Å; T90-L92 PolarHBondContact O-N 2.87Å; T90-M93 PolarHBondContact O-N 3.32Å; T90-V94 HydrophobicContact CG2-CG2 4.35Å; T90-V94 WeakPolarHBondContact O-CB 3.17Å; T90-V94 VanDerWaalsContact O-CG2 3.28Å; T90-V94 WeakPolarHBondContact O-CG2 3.41Å; T90-V94 PolarHBondContact O-N 3.37Å; T90-Q116 WeakPolarHBondContact OG1-CG 3.41Å; T90-A119 HydrophobicContact CG2-CB 3.42Å; T90-A119 VanDerWaalsContact CG2-CB 3.42Å
91	R	92.6	Very high	90.7	Very high	134 Å²	134	59.6 Å²	59.6	51%	0.506	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-43.2	178	-78.4	179.4	64.3	-151.4	-2.3	112	H87 V88 S95	H87-R91 WeakPolarHBondContact O-CB 3.27Å; H87-R91 VanDerWaalsContact O-CG 3.31Å; H87-R91 WeakPolarHBondContact O-CG 3.31Å; H87-R91 PolarHBondContact O-N 3.49Å; V88-R91 PolarHBondContact O-N 3.49Å; R91-S95 WeakPolarHBondContact O-CB 3.47Å; R91-S95 PolarHBondContact O-N 3.46Å; R91-S95 VanDerWaalsContact O-N 3.08Å
92	L	93.5	Very high	89.6	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-57.2	-55.7	176.1	174.9	61.6	0	0	0	110.8	F59 L60 N63 V70 V88 I89 T90 V94 S95 E96	F59-L92 HydrophobicContact CB-CD1 4.19Å; F59-L92 HydrophobicContact CB-CD2 4.05Å; F59-L92 HydrophobicContact CB-CG 4.16Å; L60-L92 HydrophobicContact CB-CD2 4.02Å; L60-L92 HydrophobicContact CD1-CD2 4.04Å; N63-L92 HydrophobicContact CB-CD1 4.38Å; N63-L92 VanDerWaalsContact ND2-CD1 3.27Å; N63-L92 WeakPolarHBondContact ND2-CD1 3.38Å; V70-L92 HydrophobicContact CG1-CB 4.05Å; V70-L92 HydrophobicContact CG1-CD1 4.26Å; V88-L92 WeakPolarHBondContact O-CB 3.18Å; V88-L92 PolarHBondContact O-N 3.22Å; I89-L92 WeakPolarHBondContact O-CB 3.42Å; I89-L92 PolarHBondContact O-N 3.01Å; T90-L92 VanDerWaalsContact C-N 3.32Å; T90-L92 PolarHBondContact O-N 2.87Å; L92-V94 PolarHBondContact O-N 3.4Å; L92-S95 PolarHBondContact O-N 3.21Å; L92-E96 HydrophobicContact CD1-CG 4.31Å; L92-E96 WeakPolarHBondContact O-CG 3.37Å; L92-E96 PolarHBondContact O-N 3.5Å
93	M	93.9	Very high	88.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-44.4	-177.2	-72.2	-61.6	-61.2	0	0	112.2	S56 F59 I89 T90 S95 E96 L97 L107 F110	S56-M93 WeakPolarHBondContact CA-SD 3.35Å; F59-M93 HydrophobicContact CD2-CE 4.4Å; F59-M93 HydrophobicContact CD2-SD 3.65Å; F59-M93 HydrophobicContact CE2-CE 4.3Å; F59-M93 HydrophobicContact CE2-SD 4.14Å; I89-M93 HydrophobicContact CG2-CG 4.33Å; I89-M93 WeakPolarHBondContact O-CB 3.34Å; I89-M93 WeakPolarHBondContact O-CG 2.85Å; I89-M93 PolarHBondContact O-N 3.44Å; T90-M93 PolarHBondContact O-N 3.32Å; M93-S95 PolarHBondContact O-N 3.36Å; M93-E96 PolarHBondContact O-N 3.39Å; M93-L97 WeakPolarHBondContact O-CB 3.38Å; M93-L97 WeakPolarHBondContact O-CG 3.47Å; M93-L97 PolarHBondContact O-N 2.96Å; M93-L107 HydrophobicContact CE-CD2 4.43Å; M93-F110 HydrophobicContact CB-CD1 4.19Å; M93-F110 HydrophobicContact CB-CD2 4.12Å; M93-F110 HydrophobicContact CB-CE1 3.94Å; M93-F110 HydrophobicContact CB-CE2 3.85Å; M93-F110 HydrophobicContact CB-CG 4.28Å; M93-F110 HydrophobicContact CB-CZ 3.76Å; M93-F110 HydrophobicContact CE-CB 3.95Å; M93-F110 HydrophobicContact CE-CD1 3.96Å; M93-F110 HydrophobicContact CE-CG 3.98Å; M93-F110 HydrophobicContact CG-CB 4.39Å; M93-F110 HydrophobicContact CG-CD1 4.2Å; M93-F110 HydrophobicContact CG-CD2 3.62Å; M93-F110 HydrophobicContact CG-CE1 4.38Å; M93-F110 HydrophobicContact CG-CE2 3.82Å; M93-F110 HydrophobicContact CG-CG 3.81Å; M93-F110 HydrophobicContact CG-CZ 4.2Å
94	V	92.3	Very high	88.4	Confident	28 Å²	28	64.6 Å²	64.6	17%	0.17	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-47.2	178.1	168.4	0	0	0	0	111	T90 L92 E96 L97 E98 I123	T90-V94 HydrophobicContact CG2-CG2 4.35Å; T90-V94 WeakPolarHBondContact O-CB 3.17Å; T90-V94 VanDerWaalsContact O-CG2 3.28Å; T90-V94 WeakPolarHBondContact O-CG2 3.41Å; T90-V94 PolarHBondContact O-N 3.37Å; L92-V94 PolarHBondContact O-N 3.4Å; V94-E96 VanDerWaalsContact C-N 3.31Å; V94-E96 PolarHBondContact O-N 3.36Å; V94-L97 PolarHBondContact O-N 3.14Å; V94-E98 HydrophobicContact CG1-CG 4.29Å; V94-E98 WeakPolarHBondContact O-CG 3.5Å; V94-E98 PolarHBondContact O-N 3.32Å; V94-I123 HydrophobicContact CB-CD1 4.38Å; V94-I123 HydrophobicContact CG1-CD1 4.3Å; V94-I123 HydrophobicContact CG1-CG2 4.19Å; V94-I123 HydrophobicContact CG2-CD1 4.1Å
95	S	91.4	Very high	88.4	Confident	65 Å²	65	66.6 Å²	66.6	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-39.3	177.9	-174.9	0	0	0	0	112.5	R91 L92 M93 T99	R91-S95 WeakPolarHBondContact O-CB 3.47Å; R91-S95 PolarHBondContact O-N 3.46Å; R91-S95 VanDerWaalsContact O-N 3.08Å; L92-S95 PolarHBondContact O-N 3.21Å; M93-S95 PolarHBondContact O-N 3.36Å; S95-T99 WeakPolarHBondContact O-CG2 3.44Å; S95-T99 PolarHBondContact O-OG1 3.42Å
96	E	91.6	Very high	88.4	Confident	36 Å²	36	66.4 Å²	66.4	17%	0.168	33%	0.327	C	S	.	.	H	α-helix	trans	-68.2	-35.7	177.3	-75.9	-63.4	148.4	0	0	112.6	F59 L92 M93 V94 T99 R100	F59-E96 HydrophobicContact CB-CG 4.19Å; F59-E96 HydrophobicContact CD1-CG 4.19Å; F59-E96 HydrophobicContact CD2-CB 4.02Å; F59-E96 HydrophobicContact CD2-CG 3.82Å; F59-E96 HydrophobicContact CE2-CB 4.01Å; F59-E96 HydrophobicContact CE2-CG 4.23Å; F59-E96 HydrophobicContact CG-CB 4.47Å; F59-E96 HydrophobicContact CG-CG 3.81Å; F59-E96 HydrophobicContact CZ-CB 4.49Å; L92-E96 HydrophobicContact CD1-CG 4.31Å; L92-E96 WeakPolarHBondContact O-CG 3.37Å; L92-E96 PolarHBondContact O-N 3.5Å; M93-E96 PolarHBondContact O-N 3.39Å; V94-E96 VanDerWaalsContact C-N 3.31Å; V94-E96 PolarHBondContact O-N 3.36Å; E96-T99 PolarHBondContact O-OG1 3.36Å; E96-R100 WeakPolarHBondContact O-CD 3.37Å; E96-R100 VanDerWaalsContact O-CG 3.24Å; E96-R100 WeakPolarHBondContact O-CG 3.37Å; E96-R100 PolarHBondContact O-NE 2.95Å; E96-R100 IonicContact OE2-CZ 3.83Å; E96-R100 IonicContact OE2-NE 3.33Å; E96-R100 IonicContact OE2-NH2 3.91Å; E96-R100 PolarHBondContact OE2-NH2 3.12Å
97	L	91.1	Very high	88.4	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-77.1	-38.4	-179.8	-66.5	172.1	0	0	0	112.2	L54 M93 V94 T99 R100 W105 L107 L120 I123	L54-L97 HydrophobicContact CD1-CD2 3.4Å; M93-L97 WeakPolarHBondContact O-CB 3.38Å; M93-L97 WeakPolarHBondContact O-CG 3.47Å; M93-L97 PolarHBondContact O-N 2.96Å; V94-L97 PolarHBondContact O-N 3.14Å; L97-T99 VanDerWaalsContact C-N 3.25Å; L97-T99 PolarHBondContact O-N 3.24Å; L97-R100 PolarHBondContact O-N 2.79Å; L97-W105 HydrophobicContact CB-CH2 4.2Å; L97-W105 HydrophobicContact CB-CZ3 4.25Å; L97-W105 HydrophobicContact CD2-CD2 3.9Å; L97-W105 HydrophobicContact CD2-CE3 3.69Å; L97-W105 HydrophobicContact CD2-CH2 4.26Å; L97-W105 HydrophobicContact CD2-CZ2 4.47Å; L97-W105 HydrophobicContact CD2-CZ3 3.87Å; L97-W105 HydrophobicContact CG-CZ3 4.5Å; L97-L107 HydrophobicContact CD1-CD1 4.35Å; L97-L107 HydrophobicContact CD1-CD2 4.49Å; L97-L107 HydrophobicContact CD2-CD2 3.79Å; L97-L120 HydrophobicContact CD1-CD1 3.68Å; L97-I123 HydrophobicContact CB-CD1 3.87Å; L97-I123 HydrophobicContact CD1-CD1 3.86Å
98	E	89.3	Confident	88.3	Confident	134 Å²	134	62 Å²	62	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-64.1	-28.5	178.8	-75.4	179.9	161.2	0	0	113.4	V94	V94-E98 HydrophobicContact CG1-CG 4.29Å; V94-E98 WeakPolarHBondContact O-CG 3.5Å; V94-E98 PolarHBondContact O-N 3.32Å
99	T	87.2	Confident	87.8	Confident	98 Å²	98	63.4 Å²	63.4	60%	0.601	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.7	-178.9	57.6	0	0	0	0	113.6	S95 E96 L97	S95-T99 WeakPolarHBondContact O-CG2 3.44Å; S95-T99 PolarHBondContact O-OG1 3.42Å; E96-T99 PolarHBondContact O-OG1 3.36Å; L97-T99 VanDerWaalsContact C-N 3.25Å; L97-T99 PolarHBondContact O-N 3.24Å
100	R	85.1	Confident	87.7	Confident	55 Å²	55	63.6 Å²	63.6	21%	0.208	32%	0.323	C	S	.	.			trans	-91	127.6	-175	-73.8	169.3	-165.2	-86.8	-12.5	111.8	L54 E96 L97 W105	L54-R100 VanDerWaalsContact CD2-NH1 3.31Å; E96-R100 WeakPolarHBondContact O-CD 3.37Å; E96-R100 VanDerWaalsContact O-CG 3.24Å; E96-R100 WeakPolarHBondContact O-CG 3.37Å; E96-R100 PolarHBondContact O-NE 2.95Å; E96-R100 IonicContact OE2-CZ 3.83Å; E96-R100 IonicContact OE2-NE 3.33Å; E96-R100 IonicContact OE2-NH2 3.91Å; E96-R100 PolarHBondContact OE2-NH2 3.12Å; L97-R100 PolarHBondContact O-N 2.79Å; R100-W105 HydrophobicContact CB-CZ2 3.86Å
101	N	70.3	Confident	87.7	Confident	165 Å²	165	65.5 Å²	65.5	88%	0.882	34%	0.336	S	S	*	.			trans	-83.2	-21.2	178.6	-74.4	-28.9	0	0	0	113.5
102	T	70.3	Confident	87.8	Confident	71 Å²	71	64.9 Å²	64.9	44%	0.436	33%	0.333	S	S	.	.			trans	-80.2	141.5	175	50	0	0	0	0	109.1	Q52 W105	Q52-T102 PolarHBondContact OE1-OG1 3.39Å; T102-W105 WeakPolarHBondContact O-CZ2 3.5Å; T102-W105 PolarHBondContact O-NE1 2.94Å
103	K	70.1	Confident	87.8	Confident	177 Å²	177	67 Å²	67	77%	0.77	35%	0.346	S	S	*	.			trans	-107.6	11.2	179.8	-62.9	-170.4	176.8	-169.2	0	113.8
104	H	88.3	Confident	87.8	Confident	131 Å²	131	73 Å²	73	61%	0.606	38%	0.378	S	S	*	.			trans	-114.7	90.4	-176.6	-59.1	-48.5	0	0	0	109.2	L51 Q52	L51-H104 HydrophobicContact CD2-CB 3.97Å; Q52-H104 PolarHBondContact N-O 3.18Å
105	W	91	Very high	87.8	Confident	62 Å²	62	76.3 Å²	76.3	24%	0.235	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	145	-175.5	-53.7	-36	0	0	0	110.9	Q52 L54 L97 R100 T102 L107 C124	Q52-W105 WeakPolarHBondContact O-CA 3.46Å; L54-W105 HydrophobicContact CD1-CB 3.8Å; L54-W105 HydrophobicContact CD1-CD2 4.09Å; L54-W105 HydrophobicContact CD1-CG 3.56Å; L54-W105 HydrophobicContact CG-CB 4.37Å; L54-W105 HydrophobicContact CG-CG 4.48Å; L97-W105 HydrophobicContact CB-CH2 4.2Å; L97-W105 HydrophobicContact CB-CZ3 4.25Å; L97-W105 HydrophobicContact CD2-CD2 3.9Å; L97-W105 HydrophobicContact CD2-CE3 3.69Å; L97-W105 HydrophobicContact CD2-CH2 4.26Å; L97-W105 HydrophobicContact CD2-CZ2 4.47Å; L97-W105 HydrophobicContact CD2-CZ3 3.87Å; L97-W105 HydrophobicContact CG-CZ3 4.5Å; R100-W105 HydrophobicContact CB-CZ2 3.86Å; T102-W105 WeakPolarHBondContact O-CZ2 3.5Å; T102-W105 PolarHBondContact O-NE1 2.94Å; W105-L107 HydrophobicContact CB-CD2 4.05Å; W105-C124 HydrophobicContact CZ3-CB 4.29Å
106	L	92.4	Very high	88	Confident	29 Å²	29	73.2 Å²	73.2	15%	0.152	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	106.1	160.8	176.6	63.4	0	0	0	107	C42 M45 L51 Q52 L54	C42-L106 HydrophobicContact CB-CD2 3.72Å; M45-L106 HydrophobicContact CB-CD2 4.05Å; M45-L106 HydrophobicContact SD-CD2 4.5Å; L51-L106 HydrophobicContact CB-CB 4.25Å; L51-L106 HydrophobicContact CD1-CB 4.25Å; Q52-L106 PolarHBondContact O-N 2.73Å; L54-L106 PolarHBondContact N-O 2.93Å
107	L	92.6	Very high	88.2	Confident	46 Å²	46	73.3 Å²	73.3	24%	0.241	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.4	176.3	-52.6	-175	0	0	0	109	L54 M93 L97 W105 F110 L120	L54-L107 HydrophobicContact CB-CD2 3.88Å; L54-L107 HydrophobicContact CD1-CD2 3.75Å; L54-L107 HydrophobicContact CG-CD2 4.26Å; L54-L107 WeakPolarHBondContact O-CA 3.36Å; M93-L107 HydrophobicContact CE-CD2 4.43Å; L97-L107 HydrophobicContact CD1-CD1 4.35Å; L97-L107 HydrophobicContact CD1-CD2 4.49Å; L97-L107 HydrophobicContact CD2-CD2 3.79Å; W105-L107 HydrophobicContact CB-CD2 4.05Å; L107-F110 WeakPolarHBondContact CB-O 3.3Å; L107-F110 HydrophobicContact CD1-CD1 4.41Å; L107-L120 HydrophobicContact CD1-CD1 3.92Å; L107-L120 HydrophobicContact CD1-CD2 3.72Å
108	D	89.5	Confident	88.4	Confident	37 Å²	37	77.5 Å²	77.5	20%	0.198	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.2	-179.9	-172.7	2.2	0	0	0	109.8	C42 H53 L54 F110	C42-D108 PolarHBondContact SG-OD2 3.44Å; H53-D108 IonicContact CE1-OD2 3.62Å; H53-D108 WeakPolarHBondContact NE2-CB 3.46Å; H53-D108 IonicContact NE2-OD2 2.96Å; H53-D108 PolarHBondContact NE2-OD2 3.07Å; L54-D108 PolarHBondContact O-N 3.34Å; D108-F110 PolarHBondContact O-N 3.27Å
109	G	82.1	Confident	88.6	Confident	33 Å²	33	71.9 Å²	71.9	34%	0.34	38%	0.379	S	S	.	.	S	Bend	trans	71.3	12.3	-174.9	0	0	0	0	0	115	R112	G109-R112 VanDerWaalsContact O-CG 3.31Å; G109-R112 WeakPolarHBondContact O-CG 3.34Å
110	F	92.8	Very high	88.9	Confident	11 Å²	11	67.5 Å²	67.5	5%	0.048	35%	0.352	C	S	.	.			trans	-149.3	134.7	174.9	-174.4	-91.9	0	0	0	111.1	I89 M93 L107 D108 Q116 L120	I89-F110 HydrophobicContact CG2-CD2 4.32Å; M93-F110 HydrophobicContact CB-CD1 4.19Å; M93-F110 HydrophobicContact CB-CD2 4.12Å; M93-F110 HydrophobicContact CB-CE1 3.94Å; M93-F110 HydrophobicContact CB-CE2 3.85Å; M93-F110 HydrophobicContact CB-CG 4.28Å; M93-F110 HydrophobicContact CB-CZ 3.76Å; M93-F110 HydrophobicContact CE-CB 3.95Å; M93-F110 HydrophobicContact CE-CD1 3.96Å; M93-F110 HydrophobicContact CE-CG 3.98Å; M93-F110 HydrophobicContact CG-CB 4.39Å; M93-F110 HydrophobicContact CG-CD1 4.2Å; M93-F110 HydrophobicContact CG-CD2 3.62Å; M93-F110 HydrophobicContact CG-CE1 4.38Å; M93-F110 HydrophobicContact CG-CE2 3.82Å; M93-F110 HydrophobicContact CG-CG 3.81Å; M93-F110 HydrophobicContact CG-CZ 4.2Å; L107-F110 WeakPolarHBondContact CB-O 3.3Å; L107-F110 HydrophobicContact CD1-CD1 4.41Å; D108-F110 PolarHBondContact O-N 3.27Å; F110-Q116 HydrophobicContact CD2-CB 4.36Å; F110-Q116 HydrophobicContact CD2-CG 4.38Å; F110-Q116 HydrophobicContact CE2-CB 3.7Å; F110-Q116 HydrophobicContact CE2-CG 3.72Å; F110-Q116 HydrophobicContact CZ-CB 3.98Å; F110-Q116 HydrophobicContact CZ-CG 4.4Å; F110-L120 HydrophobicContact CE1-CB 4.15Å; F110-L120 HydrophobicContact CE1-CD1 4.23Å; F110-L120 HydrophobicContact CE1-CD2 4.34Å; F110-L120 HydrophobicContact CE1-CG 4.49Å
111	P	94.9	Very high	89.3	Confident	56 Å²	56	70.1 Å²	70.1	36%	0.364	37%	0.37	S	S	.	.			cis	-80.5	145.2	-2.4	32.3	-33.7	0	0	0	113	Q116 A117 L120	P111-Q116 HydrophobicContact CB-CB 3.56Å; P111-A117 HydrophobicContact CB-CB 4.07Å; P111-A117 HydrophobicContact CG-CB 3.91Å; P111-L120 HydrophobicContact CG-CD2 4.19Å
112	R	93.3	Very high	90.4	Very high	120 Å²	120	71.5 Å²	71.5	45%	0.453	36%	0.363	S	S	.	.			trans	-100.4	-24.7	173.3	-69.2	-170	-73.3	164	2.3	113.9	E27 G109	E27-R112 IonicContact OE1-NH1 3.91Å; E27-R112 PolarHBondContact OE1-NH1 3.27Å; E27-R112 IonicContact OE2-CZ 3.79Å; E27-R112 IonicContact OE2-NH1 2.85Å; E27-R112 PolarHBondContact OE2-NH1 3.39Å; G109-R112 VanDerWaalsContact O-CG 3.31Å; G109-R112 WeakPolarHBondContact O-CG 3.34Å
113	T	93.5	Very high	91.4	Very high	49 Å²	49	71 Å²	71	30%	0.301	36%	0.357	S	S	.	.	S	Bend	trans	-124.7	160.3	-179.1	68	0	0	0	0	111.9	D86 V115 Q116 A117	D86-T113 WeakPolarHBondContact OD2-CB 3.48Å; D86-T113 WeakPolarHBondContact OD2-CG2 3.22Å; D86-T113 PolarHBondContact OD2-OG1 2.97Å; T113-V115 PolarHBondContact O-N 3.35Å; T113-Q116 WeakPolarHBondContact O-CB 3.41Å; T113-Q116 PolarHBondContact O-N 3.14Å; T113-Q116 VanDerWaalsContact O-N 3.12Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.46Å; T113-A117 PolarHBondContact O-N 3.5Å
114	L	94.1	Very high	92.2	Very high	127 Å²	127	64 Å²	64	67%	0.665	33%	0.33	S	S	*	.	H	α-helix	trans	-57.4	-40.5	179.8	-179.6	62	0	0	0	111.7	Q116 A117 E118	L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.47Å; L114-A117 WeakPolarHBondContact O-CB 3.49Å; L114-A117 PolarHBondContact O-N 3.11Å; L114-A117 VanDerWaalsContact O-N 3.14Å; L114-E118 WeakPolarHBondContact O-CG 3.43Å; L114-E118 PolarHBondContact O-N 2.98Å
115	V	93.7	Very high	92.3	Very high	97 Å²	97	64.6 Å²	64.6	59%	0.588	34%	0.337	S	S	*	.	H	α-helix	trans	-63.9	-37.7	179.2	-179.5	0	0	0	0	111.4	T113 A119	T113-V115 PolarHBondContact O-N 3.35Å; V115-A119 WeakPolarHBondContact O-CB 3.39Å; V115-A119 PolarHBondContact O-N 3.49Å
116	Q	95.4	Very high	92.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.2	-41.3	174.1	-69.2	175	13.5	0	0	111.4	D86 T90 F110 P111 T113 L114 A119 L120	D86-Q116 PolarHBondContact OD1-NE2 2.95Å; T90-Q116 WeakPolarHBondContact OG1-CG 3.41Å; F110-Q116 HydrophobicContact CD2-CB 4.36Å; F110-Q116 HydrophobicContact CD2-CG 4.38Å; F110-Q116 HydrophobicContact CE2-CB 3.7Å; F110-Q116 HydrophobicContact CE2-CG 3.72Å; F110-Q116 HydrophobicContact CZ-CB 3.98Å; F110-Q116 HydrophobicContact CZ-CG 4.4Å; P111-Q116 HydrophobicContact CB-CB 3.56Å; T113-Q116 WeakPolarHBondContact O-CB 3.41Å; T113-Q116 PolarHBondContact O-N 3.14Å; T113-Q116 VanDerWaalsContact O-N 3.12Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.46Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.47Å; Q116-A119 PolarHBondContact O-N 3.41Å; Q116-L120 WeakPolarHBondContact O-CB 3.39Å; Q116-L120 PolarHBondContact O-N 2.94Å
117	A	95.3	Very high	92.3	Very high	37 Å²	37	71.3 Å²	71.3	31%	0.306	38%	0.381	S	S	.	.	H	α-helix	trans	-63.8	-44.6	177.2	0	0	0	0	0	111.8	P111 T113 L114 A119 L120 D121	P111-A117 HydrophobicContact CB-CB 4.07Å; P111-A117 HydrophobicContact CG-CB 3.91Å; T113-A117 PolarHBondContact O-N 3.5Å; L114-A117 WeakPolarHBondContact O-CB 3.49Å; L114-A117 PolarHBondContact O-N 3.11Å; L114-A117 VanDerWaalsContact O-N 3.14Å; A117-A119 VanDerWaalsContact C-N 3.28Å; A117-A119 PolarHBondContact O-N 2.96Å; A117-L120 PolarHBondContact O-N 3.37Å; A117-D121 WeakPolarHBondContact O-CB 3.41Å; A117-D121 PolarHBondContact O-N 3Å
118	E	94.8	Very high	92.3	Very high	92 Å²	92	75.4 Å²	75.4	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-62.6	-33	174.6	-71.4	179.2	176.4	0	0	113	L114 R122	L114-E118 WeakPolarHBondContact O-CG 3.43Å; L114-E118 PolarHBondContact O-N 2.98Å; E118-R122 WeakPolarHBondContact O-CG 3.46Å; E118-R122 PolarHBondContact O-NE 3.22Å
119	A	93.9	Very high	92.5	Very high	17 Å²	17	79.4 Å²	79.4	14%	0.14	43%	0.428	C	S	.	.	H	α-helix	trans	-71.7	-40.5	174.9	0	0	0	0	0	111.8	T90 V115 Q116 A117 R122	T90-A119 HydrophobicContact CG2-CB 3.42Å; T90-A119 VanDerWaalsContact CG2-CB 3.42Å; V115-A119 WeakPolarHBondContact O-CB 3.39Å; V115-A119 PolarHBondContact O-N 3.49Å; Q116-A119 PolarHBondContact O-N 3.41Å; A117-A119 VanDerWaalsContact C-N 3.28Å; A117-A119 PolarHBondContact O-N 2.96Å; A119-R122 PolarHBondContact O-N 3.11Å
120	L	94.1	Very high	92.9	Very high	5 Å²	5	82.1 Å²	82.1	3%	0.026	43%	0.434	C	S	.	.	H	α-helix	trans	-64.1	-43.3	176.6	-177.1	62	0	0	0	111.7	L97 L107 F110 P111 Q116 A117 R122 I123 C124 V126	L97-L120 HydrophobicContact CD1-CD1 3.68Å; L107-L120 HydrophobicContact CD1-CD1 3.92Å; L107-L120 HydrophobicContact CD1-CD2 3.72Å; F110-L120 HydrophobicContact CE1-CB 4.15Å; F110-L120 HydrophobicContact CE1-CD1 4.23Å; F110-L120 HydrophobicContact CE1-CD2 4.34Å; F110-L120 HydrophobicContact CE1-CG 4.49Å; P111-L120 HydrophobicContact CG-CD2 4.19Å; Q116-L120 WeakPolarHBondContact O-CB 3.39Å; Q116-L120 PolarHBondContact O-N 2.94Å; A117-L120 PolarHBondContact O-N 3.37Å; L120-R122 PolarHBondContact O-N 2.92Å; L120-R122 VanDerWaalsContact O-N 3.12Å; L120-I123 HydrophobicContact CD1-CD1 4.18Å; L120-I123 HydrophobicContact CD1-CG1 4.22Å; L120-I123 WeakPolarHBondContact O-CG1 3.45Å; L120-I123 PolarHBondContact O-N 2.95Å; L120-C124 WeakPolarHBondContact CD1-SG 3.29Å; L120-C124 PolarHBondContact O-N 3.3Å; L120-V126 HydrophobicContact CD2-CG2 3.85Å; L120-V126 HydrophobicContact CG-CG2 4.16Å
121	D	93.8	Very high	92.7	Very high	111 Å²	111	86.9 Å²	86.9	59%	0.594	47%	0.468	S	S	*	.	H	α-helix	trans	-59.9	-23.8	179.5	-166.3	61.6	0	0	0	113	A117	A117-D121 WeakPolarHBondContact O-CB 3.41Å; A117-D121 PolarHBondContact O-N 3Å
122	R	92.8	Very high	92.3	Very high	194 Å²	194	88 Å²	88	73%	0.732	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.3	176.8	-67.8	170	-165.5	170.5	7.1	113.8	E118 A119 L120	E118-R122 WeakPolarHBondContact O-CG 3.46Å; E118-R122 PolarHBondContact O-NE 3.22Å; A119-R122 PolarHBondContact O-N 3.11Å; L120-R122 PolarHBondContact O-N 2.92Å; L120-R122 VanDerWaalsContact O-N 3.12Å
123	I	90.1	Very high	92	Very high	60 Å²	60	89.8 Å²	89.8	31%	0.308	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-23	-173.6	62.4	163.8	0	0	0	112.9	V94 L97 L120	V94-I123 HydrophobicContact CB-CD1 4.38Å; V94-I123 HydrophobicContact CG1-CD1 4.3Å; V94-I123 HydrophobicContact CG1-CG2 4.19Å; V94-I123 HydrophobicContact CG2-CD1 4.1Å; L97-I123 HydrophobicContact CB-CD1 3.87Å; L97-I123 HydrophobicContact CD1-CD1 3.86Å; L120-I123 HydrophobicContact CD1-CD1 4.18Å; L120-I123 HydrophobicContact CD1-CG1 4.22Å; L120-I123 WeakPolarHBondContact O-CG1 3.45Å; L120-I123 PolarHBondContact O-N 2.95Å
124	C	88.1	Confident	91.6	Very high	30 Å²	30	89.4 Å²	89.4	20%	0.203	49%	0.485	C	S	.	.			trans	-154	151.7	175.8	64.6	0	0	0	0	112.6	W105 L120	W105-C124 HydrophobicContact CZ3-CB 4.29Å; L120-C124 WeakPolarHBondContact CD1-SG 3.29Å; L120-C124 PolarHBondContact O-N 3.3Å
125	D	89.7	Confident	91.3	Very high	143 Å²	143	87.4 Å²	87.4	77%	0.765	48%	0.479	S	S	*	.			trans	-78.6	123.9	167.6	-59.2	-54.7	0	0	0	109.4	D127	D125-D127 PolarHBondContact O-N 3.01Å
126	V	91.3	Very high	91	Very high	73 Å²	73	89.6 Å²	89.6	44%	0.442	48%	0.481	S	S	.	.			trans	-85	113.5	177.9	178.8	0	0	0	0	110	L120 V129	L120-V126 HydrophobicContact CD2-CG2 3.85Å; L120-V126 HydrophobicContact CG-CG2 4.16Å; V126-V129 HydrophobicContact CG1-CG2 3.76Å
127	D	92.7	Very high	90.6	Very high	160 Å²	160	95.2 Å²	95.2	86%	0.856	51%	0.508	S	S	*	.			trans	-74.7	-37	-177.8	-64.6	-60.1	0	0	0	113.7	D125	D125-D127 PolarHBondContact O-N 3.01Å
128	L	92.8	Very high	90.1	Very high	132 Å²	132	96.1 Å²	96.1	69%	0.691	51%	0.509	S	S	*	.			trans	-153	135.2	-172.6	-179.5	65.3	0	0	0	111.3	I130	L128-I130 HydrophobicContact CD2-CD1 4Å; L128-I130 HydrophobicContact CD2-CG1 3.94Å; L128-I130 HydrophobicContact CG-CG1 4.02Å
129	V	92.8	Very high	89.5	Confident	120 Å²	120	94.5 Å²	94.5	73%	0.727	50%	0.503	S	S	*	.			trans	-117.4	124.7	169.6	-178.6	0	0	0	0	108.7	V126	V126-V129 HydrophobicContact CG1-CG2 3.76Å
130	I	90.6	Very high	88.9	Confident	91 Å²	91	99.2 Å²	99.2	47%	0.467	52%	0.52	S	S	.	.			trans	-106.3	114.2	177.4	-57.2	178.9	0	0	0	108.2	M45 L128 L132	M45-I130 HydrophobicContact CE-CD1 3.6Å; M45-I130 HydrophobicContact SD-CD1 4.11Å; L128-I130 HydrophobicContact CD2-CD1 4Å; L128-I130 HydrophobicContact CD2-CG1 3.94Å; L128-I130 HydrophobicContact CG-CG1 4.02Å; I130-L132 HydrophobicContact CG2-CD2 3.98Å; I130-L132 HydrophobicContact CG2-CG 4.49Å
131	S	89.8	Confident	88.4	Confident	110 Å²	110	103.5 Å²	103.5	77%	0.769	54%	0.543	S	S	*	.			trans	-97.9	117.2	172.6	-176.8	0	0	0	0	109.8	N133	S131-N133 PolarHBondContact O-N 2.87Å
132	L	85.7	Confident	87.5	Confident	81 Å²	81	98.9 Å²	98.9	42%	0.424	52%	0.52	S	S	.	.			trans	-90.3	93.6	174.9	-60.3	-179.4	0	0	0	109.1	V38 I130 I134	V38-L132 HydrophobicContact CG1-CD1 4.37Å; V38-L132 HydrophobicContact CG2-CD1 4.14Å; I130-L132 HydrophobicContact CG2-CD2 3.98Å; I130-L132 HydrophobicContact CG2-CG 4.49Å; L132-I134 PolarHBondContact O-N 2.93Å
133	N	86.8	Confident	86.6	Confident	156 Å²	156	94.9 Å²	94.9	83%	0.834	51%	0.512	S	S	*	.			trans	-81.7	98.7	176.3	-172.5	25.4	0	0	0	110.4	S131	S131-N133 PolarHBondContact O-N 2.87Å
134	I	84.9	Confident	85.8	Confident	42 Å²	42	96.1 Å²	96.1	22%	0.215	53%	0.526	C	S	.	.			trans	-100.9	129.2	178	-54.3	176.4	0	0	0	108.4	L132 F136 T138 L139	L132-I134 PolarHBondContact O-N 2.93Å; I134-F136 PolarHBondContact O-N 3.45Å; I134-T138 HydrophobicContact CG2-CG2 3.96Å; I134-L139 HydrophobicContact CB-CD1 4.38Å; I134-L139 HydrophobicContact CB-CD2 3.95Å; I134-L139 HydrophobicContact CB-CG 4.04Å; I134-L139 HydrophobicContact CD1-CD2 4.07Å; I134-L139 HydrophobicContact CG2-CD2 3.81Å; I134-L139 HydrophobicContact CG2-CG 3.81Å
135	P	89.1	Confident	84	Confident	84 Å²	84	106.4 Å²	106.4	55%	0.545	56%	0.561	S	S	.	*			trans	-56.4	138.3	176	-24.9	34.3	0	0	0	112.2	E137 T138 L139	P135-E137 VanDerWaalsContact C-N 3.29Å; P135-E137 PolarHBondContact O-N 3.17Å; P135-T138 WeakPolarHBondContact O-CA 3.47Å; P135-T138 WeakPolarHBondContact O-CB 3.45Å; P135-T138 PolarHBondContact O-N 3.28Å; P135-L139 PolarHBondContact O-N 2.96Å; P135-L139 VanDerWaalsContact O-N 3.12Å
136	F	85.9	Confident	83.7	Confident	144 Å²	144	104.6 Å²	104.6	63%	0.632	55%	0.551	S	S	*	*	H	α-helix	trans	-53.4	-43.7	-177.5	-180	-100.9	0	0	0	113.1	I134 T138 L139 K140	I134-F136 PolarHBondContact O-N 3.45Å; F136-T138 VanDerWaalsContact C-N 3.26Å; F136-T138 PolarHBondContact O-N 3.45Å; F136-L139 WeakPolarHBondContact O-CA 3.43Å; F136-L139 WeakPolarHBondContact O-CB 3.4Å; F136-L139 PolarHBondContact O-N 2.86Å; F136-K140 HydrophobicContact CE1-CD 4.28Å; F136-K140 PolarHBondContact O-N 3.35Å
137	E	86.8	Confident	83.3	Confident	118 Å²	118	106.3 Å²	106.3	55%	0.551	56%	0.556	S	S	*	*	H	α-helix	trans	-59.1	-38.5	178	-59.8	-55.2	149.3	0	0	112.2	P135 K140 D141	P135-E137 VanDerWaalsContact C-N 3.29Å; P135-E137 PolarHBondContact O-N 3.17Å; E137-K140 PolarHBondContact O-N 3.14Å; E137-D141 WeakPolarHBondContact O-CB 3.49Å; E137-D141 VanDerWaalsContact O-CG 3.3Å; E137-D141 PolarHBondContact O-N 3.46Å
138	T	85.2	Confident	82.8	Confident	56 Å²	56	103.3 Å²	103.3	34%	0.344	54%	0.54	S	S	.	.	H	α-helix	trans	-68	-36.6	175.6	-55.7	0	0	0	0	111.8	I134 P135 F136 C142	I134-T138 HydrophobicContact CG2-CG2 3.96Å; P135-T138 WeakPolarHBondContact O-CA 3.47Å; P135-T138 WeakPolarHBondContact O-CB 3.45Å; P135-T138 PolarHBondContact O-N 3.28Å; F136-T138 VanDerWaalsContact C-N 3.26Å; F136-T138 PolarHBondContact O-N 3.45Å; T138-C142 WeakPolarHBondContact O-CB 3.36Å; T138-C142 PolarHBondContact O-N 3.23Å; T138-C142 PolarHBondContact O-SG 3.44Å; T138-C142 VanDerWaalsContact O-SG 3.35Å
139	L	83.2	Confident	82.2	Confident	58 Å²	58	101.6 Å²	101.6	30%	0.304	53%	0.531	S	S	.	.	H	α-helix	trans	-66	-46.7	175.1	-69.3	172.6	0	0	0	111	I134 P135 F136 D141 C142 L143	I134-L139 HydrophobicContact CB-CD1 4.38Å; I134-L139 HydrophobicContact CB-CD2 3.95Å; I134-L139 HydrophobicContact CB-CG 4.04Å; I134-L139 HydrophobicContact CD1-CD2 4.07Å; I134-L139 HydrophobicContact CG2-CD2 3.81Å; I134-L139 HydrophobicContact CG2-CG 3.81Å; P135-L139 PolarHBondContact O-N 2.96Å; P135-L139 VanDerWaalsContact O-N 3.12Å; F136-L139 WeakPolarHBondContact O-CA 3.43Å; F136-L139 WeakPolarHBondContact O-CB 3.4Å; F136-L139 PolarHBondContact O-N 2.86Å; L139-D141 PolarHBondContact O-N 2.83Å; L139-C142 WeakPolarHBondContact O-CB 3.4Å; L139-C142 PolarHBondContact O-N 3.37Å; L139-C142 VanDerWaalsContact O-N 3.14Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 3.02Å
140	K	81.7	Confident	81.6	Confident	115 Å²	115	100.4 Å²	100.4	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-60	-43.9	177.8	-176.7	179.7	176.9	179.7	0	112.2	F136 E137 C142 L143 S144	F136-K140 HydrophobicContact CE1-CD 4.28Å; F136-K140 PolarHBondContact O-N 3.35Å; E137-K140 PolarHBondContact O-N 3.14Å; K140-C142 VanDerWaalsContact C-N 3.26Å; K140-C142 PolarHBondContact O-N 3.2Å; K140-L143 PolarHBondContact O-N 3Å; K140-S144 VanDerWaalsContact O-CB 3.27Å; K140-S144 WeakPolarHBondContact O-CB 3.38Å; K140-S144 PolarHBondContact O-N 3.46Å; K140-S144 PolarHBondContact O-OG 3.02Å
141	D	83.5	Confident	81	Confident	95 Å²	95	101.1 Å²	101.1	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-62.5	-33.7	176.4	-77.1	-11.3	0	0	0	112.6	E137 L139 S144 R145	E137-D141 WeakPolarHBondContact O-CB 3.49Å; E137-D141 VanDerWaalsContact O-CG 3.3Å; E137-D141 PolarHBondContact O-N 3.46Å; L139-D141 PolarHBondContact O-N 2.83Å; D141-S144 PolarHBondContact O-OG 2.99Å; D141-R145 WeakPolarHBondContact O-CG 3.49Å
142	C	73.7	Confident	80.3	Confident	14 Å²	14	100.4 Å²	100.4	10%	0.095	50%	0.504	C	S	.	.	H	α-helix	trans	-73.6	-33.8	175.5	-79.2	0	0	0	0	113.1	E33 T138 L139 K140	E33-C142 HydrophobicContact CB-CB 3.96Å; E33-C142 WeakPolarHBondContact CB-O 3.27Å; E33-C142 WeakPolarHBondContact CG-O 3.47Å; T138-C142 WeakPolarHBondContact O-CB 3.36Å; T138-C142 PolarHBondContact O-N 3.23Å; T138-C142 PolarHBondContact O-SG 3.44Å; T138-C142 VanDerWaalsContact O-SG 3.35Å; L139-C142 WeakPolarHBondContact O-CB 3.4Å; L139-C142 PolarHBondContact O-N 3.37Å; L139-C142 VanDerWaalsContact O-N 3.14Å; K140-C142 VanDerWaalsContact C-N 3.26Å; K140-C142 PolarHBondContact O-N 3.2Å
143	L	73.4	Confident	79.9	Confident	111 Å²	111	101.9 Å²	101.9	58%	0.581	51%	0.511	S	S	*	.	H	α-helix	trans	-86.9	-19	-178.3	-64.3	176.4	0	0	0	113.7	L139 K140	L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 3.02Å; K140-L143 PolarHBondContact O-N 3Å
144	S	73.3	Confident	79.4	Confident	86 Å²	86	97.4 Å²	97.4	60%	0.601	48%	0.484	S	S	*	.			trans	-90	0.4	-175.8	59.1	0	0	0	0	114.9	K140 D141	K140-S144 VanDerWaalsContact O-CB 3.27Å; K140-S144 WeakPolarHBondContact O-CB 3.38Å; K140-S144 PolarHBondContact O-N 3.46Å; K140-S144 PolarHBondContact O-OG 3.02Å; D141-S144 PolarHBondContact O-OG 2.99Å
145	R	51.5	Low	78.8	Confident	246 Å²	246	102.5 Å²	102.5	93%	0.928	51%	0.508	S	S	*	.			trans	-95.9	0	178.1	-72	175.7	177.8	-125.7	-1.6	111.5	D141	D141-R145 WeakPolarHBondContact O-CG 3.49Å

Retrieved 145 of 145 residues in 85.7 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).