A0A096MLU3_PAPAN Loading...

Group XIIA secretory phospholipase A2

PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. Does not exhibit detectable activity toward sn-2-arachidonoyl- or linoleoyl-phosphatidylcholine or -phosphatidylethanolamine.

AlphaFold DB (G7MTM2), UniProt , Accession A0A096MLU3, Species PAPAN (Papio anubis, Olive baboon), Gene PLA2G12A, Length 189 aa.

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(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	44.3	Very low	59.9	Low	239 Å²	239	121 Å²	121	100%	1.177	66%	0.661	S	S	*	*				0	94	0	-66.9	172.7	-174.6	0	0	107.4	L3	M1-L3 PolarHBondContact O-N 3.34Å
2	A	47.3	Very low	60.9	Low	101 Å²	101	119.3 Å²	119.3	84%	0.835	65%	0.65	S	S	*	*			trans	-81.7	106.4	-179.3	0	0	0	0	0	108.9	L4	A2-L4 PolarHBondContact O-N 3.36Å
3	L	57.9	Low	61.4	Low	168 Å²	168	121.3 Å²	121.3	88%	0.88	65%	0.649	S	S	*	*			trans	-71.2	113.8	171.1	-81.8	141.9	0	0	0	107.9	M1	M1-L3 PolarHBondContact O-N 3.34Å
4	L	52.4	Low	62	Low	111 Å²	111	121 Å²	121	58%	0.581	65%	0.647	S	S	*	*			trans	-58.6	135.8	171.5	-95.9	94.5	0	0	0	109.3	A2 R6 A8	A2-L4 PolarHBondContact O-N 3.36Å; L4-R6 PolarHBondContact O-N 3.46Å; L4-A8 HydrophobicContact CD2-CB 3.92Å
5	P	61.4	Low	62.4	Low	85 Å²	85	119.5 Å²	119.5	55%	0.552	64%	0.638	S	S	*	*			trans	-60.7	136	176.2	24.6	-31.9	0	0	0	109.6	P7 A8 L9	P5-P7 VanDerWaalsContact C-N 3.27Å; P5-P7 HydrophobicContact CB-CG 4.23Å; P5-P7 WeakPolarHBondContact O-CD 3.36Å; P5-A8 HydrophobicContact CG-CB 4.12Å; P5-A8 WeakPolarHBondContact O-CB 3.37Å; P5-A8 PolarHBondContact O-N 2.83Å; P5-L9 PolarHBondContact O-N 3.42Å
6	R	59.8	Low	62.6	Low	224 Å²	224	119.4 Å²	119.4	85%	0.845	64%	0.635	S	S	*	*	H	α-helix	trans	-38.1	-43.3	178.3	-78.2	178.5	165.2	154.3	-4	115.6	L4 A8 L9 T10	L4-R6 PolarHBondContact O-N 3.46Å; R6-A8 VanDerWaalsContact C-N 3.31Å; R6-A8 PolarHBondContact O-N 3.29Å; R6-L9 PolarHBondContact O-N 3.24Å; R6-T10 PolarHBondContact O-N 3.06Å; R6-T10 PolarHBondContact O-OG1 3.44Å
7	P	62.8	Low	62.9	Low	90 Å²	90	115.5 Å²	115.5	58%	0.584	62%	0.622	S	S	*	*	H	α-helix	trans	-64.9	-30.3	177.9	24.1	-36.3	0	0	0	114.2	P5 T10 L11	P5-P7 VanDerWaalsContact C-N 3.27Å; P5-P7 HydrophobicContact CB-CG 4.23Å; P5-P7 WeakPolarHBondContact O-CD 3.36Å; P7-T10 VanDerWaalsContact C-OG1 3.31Å; P7-T10 VanDerWaalsContact CA-OG1 3.3Å; P7-T10 WeakPolarHBondContact CA-OG1 3.45Å; P7-T10 PolarHBondContact O-OG1 2.98Å; P7-L11 WeakPolarHBondContact O-CB 3.17Å; P7-L11 PolarHBondContact O-N 2.99Å
8	A	66.2	Low	63	Low	36 Å²	36	112.2 Å²	112.2	30%	0.298	61%	0.614	S	S	.	*	H	α-helix	trans	-73.8	-34.3	178.5	0	0	0	0	0	111.6	L4 P5 R6 L11 L12	L4-A8 HydrophobicContact CD2-CB 3.92Å; P5-A8 HydrophobicContact CG-CB 4.12Å; P5-A8 WeakPolarHBondContact O-CB 3.37Å; P5-A8 PolarHBondContact O-N 2.83Å; R6-A8 VanDerWaalsContact C-N 3.31Å; R6-A8 PolarHBondContact O-N 3.29Å; A8-L11 PolarHBondContact O-N 2.87Å; A8-L12 WeakPolarHBondContact O-CB 3.25Å; A8-L12 PolarHBondContact O-N 3.18Å
9	L	66.7	Low	62.9	Low	88 Å²	88	110.6 Å²	110.6	46%	0.461	61%	0.608	S	S	.	*	H	α-helix	trans	-68	-41.5	174.8	-154.7	78.5	0	0	0	111.1	P5 R6 L11 L12 F13	P5-L9 PolarHBondContact O-N 3.42Å; R6-L9 PolarHBondContact O-N 3.24Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-F13 HydrophobicContact CD2-CE2 4.2Å; L9-F13 HydrophobicContact CG-CD2 4.16Å; L9-F13 HydrophobicContact CG-CE2 4.06Å; L9-F13 VanDerWaalsContact O-CD2 3.28Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 3.33Å
10	T	70.1	Confident	62.8	Low	82 Å²	82	109.8 Å²	109.8	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-65.3	-37.5	175.4	49.9	0	0	0	0	112.2	R6 P7 F13 L14	R6-T10 PolarHBondContact O-N 3.06Å; R6-T10 PolarHBondContact O-OG1 3.44Å; P7-T10 VanDerWaalsContact C-OG1 3.31Å; P7-T10 VanDerWaalsContact CA-OG1 3.3Å; P7-T10 WeakPolarHBondContact CA-OG1 3.45Å; P7-T10 PolarHBondContact O-OG1 2.98Å; T10-F13 PolarHBondContact O-N 3.48Å; T10-L14 WeakPolarHBondContact O-CB 3.28Å; T10-L14 WeakPolarHBondContact O-CD1 3.3Å; T10-L14 VanDerWaalsContact O-CG 3.24Å; T10-L14 WeakPolarHBondContact O-CG 3.41Å; T10-L14 PolarHBondContact O-N 2.89Å
11	L	70.6	Confident	62.5	Low	107 Å²	107	114.2 Å²	114.2	56%	0.56	61%	0.613	S	S	*	*	H	α-helix	trans	-67.5	-39.5	176.5	-161.2	76.2	0	0	0	111.3	P7 A8 L9 L14 L15	P7-L11 WeakPolarHBondContact O-CB 3.17Å; P7-L11 PolarHBondContact O-N 2.99Å; A8-L11 PolarHBondContact O-N 2.87Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.39Å; L11-L14 PolarHBondContact O-N 3.36Å; L11-L15 HydrophobicContact CG-CD1 4.29Å; L11-L15 WeakPolarHBondContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CD1 3.42Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 2.98Å; L11-L15 PolarHBondContact O-N 3.44Å
12	L	71.1	Confident	62.6	Low	101 Å²	101	107 Å²	107	53%	0.529	59%	0.586	S	S	.	*	H	α-helix	trans	-65.3	-42.1	175.5	-156.7	82.3	0	0	0	111.7	A8 L9 L15 M16	A8-L12 WeakPolarHBondContact O-CB 3.25Å; A8-L12 PolarHBondContact O-N 3.18Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 3.27Å; L12-M16 WeakPolarHBondContact O-CB 3.49Å; L12-M16 VanDerWaalsContact O-CG 3.25Å; L12-M16 WeakPolarHBondContact O-CG 3.48Å; L12-M16 PolarHBondContact O-N 3.37Å
13	F	68.3	Low	62.6	Low	145 Å²	145	109.8 Å²	109.8	64%	0.636	58%	0.581	S	S	*	*	H	α-helix	trans	-64.6	-39.4	174.3	-90.1	-70	0	0	0	112.5	L9 T10 M16 A17	L9-F13 HydrophobicContact CD2-CE2 4.2Å; L9-F13 HydrophobicContact CG-CD2 4.16Å; L9-F13 HydrophobicContact CG-CE2 4.06Å; L9-F13 VanDerWaalsContact O-CD2 3.28Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 3.33Å; T10-F13 PolarHBondContact O-N 3.48Å; F13-M16 PolarHBondContact O-N 3.34Å; F13-A17 VanDerWaalsContact O-CB 3.3Å; F13-A17 WeakPolarHBondContact O-CB 3.44Å; F13-A17 PolarHBondContact O-N 2.98Å
14	L	69.6	Low	62	Low	117 Å²	117	109.9 Å²	109.9	61%	0.613	58%	0.578	S	S	*	*	H	α-helix	trans	-66.1	-39.7	175	-74.8	166.2	0	0	0	111.9	T10 L11 A17 A18	T10-L14 WeakPolarHBondContact O-CB 3.28Å; T10-L14 WeakPolarHBondContact O-CD1 3.3Å; T10-L14 VanDerWaalsContact O-CG 3.24Å; T10-L14 WeakPolarHBondContact O-CG 3.41Å; T10-L14 PolarHBondContact O-N 2.89Å; L11-L14 PolarHBondContact O-N 3.36Å; L14-A17 PolarHBondContact O-N 3.44Å; L14-A18 WeakPolarHBondContact O-CB 3.43Å; L14-A18 PolarHBondContact O-N 2.94Å
15	L	68.2	Low	61.4	Low	98 Å²	98	111.9 Å²	111.9	51%	0.513	58%	0.584	S	S	.	*	H	α-helix	trans	-65.7	-43.9	175	-78.1	161.2	0	0	0	111.5	L11 L12 A17 A18 V19	L11-L15 HydrophobicContact CG-CD1 4.29Å; L11-L15 WeakPolarHBondContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CD1 3.42Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 2.98Å; L11-L15 PolarHBondContact O-N 3.44Å; L12-L15 PolarHBondContact O-N 3.27Å; L15-A17 PolarHBondContact O-N 3.18Å; L15-A18 PolarHBondContact O-N 3.5Å; L15-V19 VanDerWaalsContact O-CG2 3.26Å; L15-V19 WeakPolarHBondContact O-CG2 3.45Å; L15-V19 PolarHBondContact O-N 3.32Å
16	M	65.6	Low	60.4	Low	119 Å²	119	111.9 Å²	111.9	59%	0.586	59%	0.591	S	S	*	*	H	α-helix	trans	-65.5	-38.5	175.8	-67.7	-63.2	-74.2	0	0	111.8	L12 F13 A18 V19 V20	L12-M16 WeakPolarHBondContact O-CB 3.49Å; L12-M16 VanDerWaalsContact O-CG 3.25Å; L12-M16 WeakPolarHBondContact O-CG 3.48Å; L12-M16 PolarHBondContact O-N 3.37Å; F13-M16 PolarHBondContact O-N 3.34Å; M16-A18 VanDerWaalsContact C-N 3.34Å; M16-V19 PolarHBondContact O-N 3.39Å; M16-V20 VanDerWaalsContact O-CG2 3.31Å; M16-V20 WeakPolarHBondContact O-CG2 3.49Å; M16-V20 PolarHBondContact O-N 2.79Å
17	A	67.1	Low	59.6	Low	52 Å²	52	107.9 Å²	107.9	43%	0.43	58%	0.582	S	S	.	*	H	α-helix	trans	-66.8	-34.3	173.8	0	0	0	0	0	112.6	F13 L14 L15 R21	F13-A17 VanDerWaalsContact O-CB 3.3Å; F13-A17 WeakPolarHBondContact O-CB 3.44Å; F13-A17 PolarHBondContact O-N 2.98Å; L14-A17 PolarHBondContact O-N 3.44Å; L15-A17 PolarHBondContact O-N 3.18Å; A17-R21 WeakPolarHBondContact O-CB 3.35Å; A17-R21 PolarHBondContact O-N 2.69Å
18	A	64.1	Low	58.7	Low	57 Å²	57	110 Å²	110	47%	0.471	59%	0.593	S	S	.	*	H	α-helix	trans	-69.4	-39.8	173.6	0	0	0	0	0	111.9	L14 L15 M16 R21 C22	L14-A18 WeakPolarHBondContact O-CB 3.43Å; L14-A18 PolarHBondContact O-N 2.94Å; L15-A18 PolarHBondContact O-N 3.5Å; M16-A18 VanDerWaalsContact C-N 3.34Å; A18-R21 PolarHBondContact O-N 2.97Å; A18-C22 VanDerWaalsContact O-CB 3.3Å; A18-C22 WeakPolarHBondContact O-CB 3.5Å; A18-C22 PolarHBondContact O-N 3.4Å
19	V	62.8	Low	58	Low	81 Å²	81	112.1 Å²	112.1	49%	0.491	60%	0.603	S	S	.	*	H	α-helix	trans	-66.5	-41.2	175.6	173.9	0	0	0	0	111.3	L15 M16 C22 Q23	L15-V19 VanDerWaalsContact O-CG2 3.26Å; L15-V19 WeakPolarHBondContact O-CG2 3.45Å; L15-V19 PolarHBondContact O-N 3.32Å; M16-V19 PolarHBondContact O-N 3.39Å; V19-C22 PolarHBondContact O-N 3.21Å; V19-Q23 PolarHBondContact O-N 2.92Å; V19-Q23 VanDerWaalsContact O-N 3.08Å
20	V	60.3	Low	57.6	Low	95 Å²	95	112.2 Å²	112.2	58%	0.576	60%	0.604	S	S	*	*	H	α-helix	trans	-64.2	-41.3	174.4	170	0	0	0	0	111.5	M16 C22 Q23	M16-V20 VanDerWaalsContact O-CG2 3.31Å; M16-V20 WeakPolarHBondContact O-CG2 3.49Å; M16-V20 PolarHBondContact O-N 2.79Å; V20-C22 VanDerWaalsContact C-N 3.32Å; V20-C22 PolarHBondContact O-N 3.34Å; V20-Q23 PolarHBondContact O-N 3.41Å
21	R	55.3	Low	57.4	Low	202 Å²	202	113.7 Å²	113.7	76%	0.762	60%	0.6	S	S	*	*	H	α-helix	trans	-66.5	-30.5	173.8	-91.1	176.8	166.9	166.4	-4.1	113.6	A17 A18	A17-R21 WeakPolarHBondContact O-CB 3.35Å; A17-R21 PolarHBondContact O-N 2.69Å; A18-R21 PolarHBondContact O-N 2.97Å
22	C	48.1	Very low	56.8	Low	89 Å²	89	111.1 Å²	111.1	60%	0.601	58%	0.583	S	S	*	*	H	α-helix	trans	-77.9	-25.7	179.2	-157.9	0	0	0	0	112.1	A18 V19 V20 E24 E25	A18-C22 VanDerWaalsContact O-CB 3.3Å; A18-C22 WeakPolarHBondContact O-CB 3.5Å; A18-C22 PolarHBondContact O-N 3.4Å; V19-C22 PolarHBondContact O-N 3.21Å; V20-C22 VanDerWaalsContact C-N 3.32Å; V20-C22 PolarHBondContact O-N 3.34Å; C22-E24 PolarHBondContact O-N 3.22Å; C22-E25 PolarHBondContact O-N 2.88Å
23	Q	46.5	Very low	56.3	Low	158 Å²	158	108.3 Å²	108.3	74%	0.738	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-72.5	-14.1	175.3	-119.4	177.9	-62.4	0	0	113.9	V19 V20	V19-Q23 PolarHBondContact O-N 2.92Å; V19-Q23 VanDerWaalsContact O-N 3.08Å; V20-Q23 PolarHBondContact O-N 3.41Å
24	E	45.8	Very low	56.4	Low	171 Å²	171	105.2 Å²	105.2	80%	0.799	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-88.2	-8.2	176.8	-142.3	164.2	159.6	0	0	112.8	C22	C22-E24 PolarHBondContact O-N 3.22Å
25	E	39.7	Very low	56.1	Low	153 Å²	153	101.8 Å²	101.8	72%	0.715	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-97.1	32.5	171.6	-75.8	-170.5	158.7	0	0	112.7	C22 Q27	C22-E25 PolarHBondContact O-N 2.88Å; E25-Q27 PolarHBondContact O-N 3.47Å
26	A	39.8	Very low	55.7	Low	85 Å²	85	102.1 Å²	102.1	70%	0.702	55%	0.547	S	S	*	.			trans	-73	70.9	151	0	0	0	0	0	108	T28	A26-T28 VanDerWaalsContact C-N 3.28Å; A26-T28 PolarHBondContact O-N 3.49Å
27	Q	43.7	Very low	55.6	Low	139 Å²	139	101.4 Å²	101.4	65%	0.65	55%	0.549	S	S	*	.			trans	-66.9	81.2	-178.7	-162.9	-178.1	14.6	0	0	109.3	E25 T29	E25-Q27 PolarHBondContact O-N 3.47Å; Q27-T29 HydrophobicContact CG-CG2 3.48Å; Q27-T29 VanDerWaalsContact CG-CG2 3.48Å; Q27-T29 PolarHBondContact O-N 3.49Å; Q27-T29 VanDerWaalsContact O-N 3.09Å
28	T	43.3	Very low	55.4	Low	135 Å²	135	103 Å²	103	83%	0.828	55%	0.55	S	S	*	*			trans	-73.3	77.9	139.3	61.4	0	0	0	0	105.1	A26 D30	A26-T28 VanDerWaalsContact C-N 3.28Å; A26-T28 PolarHBondContact O-N 3.49Å; T28-D30 PolarHBondContact O-N 2.93Å
29	T	51.9	Low	55	Low	81 Å²	81	105.5 Å²	105.5	50%	0.497	55%	0.547	S	S	.	.			trans	-53.5	109.1	168.4	9.5	0	0	0	0	105.8	Q27 W31	Q27-T29 HydrophobicContact CG-CG2 3.48Å; Q27-T29 VanDerWaalsContact CG-CG2 3.48Å; Q27-T29 PolarHBondContact O-N 3.49Å; Q27-T29 VanDerWaalsContact O-N 3.09Å; T29-W31 PolarHBondContact O-N 3.37Å
30	D	58.6	Low	54.8	Low	89 Å²	89	108.3 Å²	108.3	48%	0.476	56%	0.559	S	S	.	*			trans	-69.1	78.3	175	-173.7	24.5	0	0	0	107	T28 R32 A33 T34	T28-D30 PolarHBondContact O-N 2.93Å; D30-R32 PolarHBondContact O-N 3.5Å; D30-R32 WeakPolarHBondContact OD1-CB 3.3Å; D30-A33 HydrophobicContact CB-CB 4.09Å; D30-A33 WeakPolarHBondContact O-CA 3.4Å; D30-A33 WeakPolarHBondContact O-CB 3.33Å; D30-A33 PolarHBondContact O-N 2.9Å; D30-A33 VanDerWaalsContact OD2-CB 3.28Å; D30-A33 WeakPolarHBondContact OD2-CB 3.31Å; D30-A33 PolarHBondContact OD2-N 3.1Å; D30-T34 PolarHBondContact O-N 2.88Å; D30-T34 VanDerWaalsContact O-N 3.14Å
31	W	66.1	Low	55	Low	114 Å²	114	106.7 Å²	106.7	43%	0.432	56%	0.562	S	S	.	*	H	α-helix	trans	-53.5	-25.1	177.7	66.5	-87	0	0	0	110	T29 T34 L35	T29-W31 PolarHBondContact O-N 3.37Å; W31-T34 PolarHBondContact O-N 2.88Å; W31-L35 HydrophobicContact CE3-CD1 3.3Å; W31-L35 HydrophobicContact CE3-CG 4.05Å; W31-L35 HydrophobicContact CH2-CD1 4.49Å; W31-L35 HydrophobicContact CZ3-CD1 3.22Å; W31-L35 HydrophobicContact CZ3-CG 4.41Å; W31-L35 WeakPolarHBondContact O-CB 3.41Å; W31-L35 VanDerWaalsContact O-CG 3.29Å; W31-L35 WeakPolarHBondContact O-CG 3.26Å; W31-L35 PolarHBondContact O-N 2.88Å
32	R	58	Low	55.3	Low	52 Å²	52	100.1 Å²	100.1	20%	0.196	54%	0.544	C	S	.	.	H	α-helix	trans	-64.8	-42.3	171.7	-162.7	178.9	-68.2	-88.6	-7.5	112.4	D30 K36 G58 E59	D30-R32 PolarHBondContact O-N 3.5Å; D30-R32 WeakPolarHBondContact OD1-CB 3.3Å; R32-K36 WeakPolarHBondContact O-CB 3.38Å; R32-K36 VanDerWaalsContact O-CG 3.27Å; R32-K36 WeakPolarHBondContact O-CG 3.37Å; R32-K36 PolarHBondContact O-N 3.04Å; R32-G58 PolarHBondContact NH1-O 3.4Å; R32-E59 PolarHBondContact NH1-O 3.28Å
33	A	60.2	Low	55.5	Low	42 Å²	42	104.8 Å²	104.8	35%	0.347	56%	0.557	S	S	.	*	H	α-helix	trans	-67.9	-38.2	173	0	0	0	0	0	112	D30 K36 T37	D30-A33 HydrophobicContact CB-CB 4.09Å; D30-A33 WeakPolarHBondContact O-CA 3.4Å; D30-A33 WeakPolarHBondContact O-CB 3.33Å; D30-A33 PolarHBondContact O-N 2.9Å; D30-A33 VanDerWaalsContact OD2-CB 3.28Å; D30-A33 WeakPolarHBondContact OD2-CB 3.31Å; D30-A33 PolarHBondContact OD2-N 3.1Å; A33-K36 PolarHBondContact O-N 2.96Å; A33-T37 PolarHBondContact O-N 3.44Å; A33-T37 PolarHBondContact O-OG1 3.09Å
34	T	70	Confident	55.9	Low	80 Å²	80	106.1 Å²	106.1	49%	0.491	56%	0.56	S	S	.	*	H	α-helix	trans	-63.3	-44.9	174.1	-51.2	0	0	0	0	111.2	D30 W31 T37 I38	D30-T34 PolarHBondContact O-N 2.88Å; D30-T34 VanDerWaalsContact O-N 3.14Å; W31-T34 PolarHBondContact O-N 2.88Å; T34-T37 WeakPolarHBondContact O-CB 3.5Å; T34-T37 PolarHBondContact O-N 3.47Å; T34-I38 HydrophobicContact CG2-CD1 4.34Å; T34-I38 WeakPolarHBondContact O-CG1 3.24Å; T34-I38 PolarHBondContact O-N 3.23Å
35	L	63.1	Low	56.6	Low	45 Å²	45	101.3 Å²	101.3	24%	0.236	54%	0.539	C	S	.	.	H	α-helix	trans	-64.7	-40.5	175.3	-75.8	-175.1	0	0	0	112.8	W31 T37 I38 R39 L49	W31-L35 HydrophobicContact CE3-CD1 3.3Å; W31-L35 HydrophobicContact CE3-CG 4.05Å; W31-L35 HydrophobicContact CH2-CD1 4.49Å; W31-L35 HydrophobicContact CZ3-CD1 3.22Å; W31-L35 HydrophobicContact CZ3-CG 4.41Å; W31-L35 WeakPolarHBondContact O-CB 3.41Å; W31-L35 VanDerWaalsContact O-CG 3.29Å; W31-L35 WeakPolarHBondContact O-CG 3.26Å; W31-L35 PolarHBondContact O-N 2.88Å; L35-T37 PolarHBondContact O-N 2.88Å; L35-I38 PolarHBondContact O-N 3.36Å; L35-R39 WeakPolarHBondContact O-CB 3.48Å; L35-R39 PolarHBondContact O-N 2.93Å; L35-L49 HydrophobicContact CD1-CD2 4.44Å; L35-L49 HydrophobicContact CD2-CD2 3.81Å
36	K	59.5	Low	57.5	Low	105 Å²	105	96 Å²	96	46%	0.457	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-34.3	174.9	-79.8	174.1	-178.9	177.4	0	112.3	R32 A33 R39	R32-K36 WeakPolarHBondContact O-CB 3.38Å; R32-K36 VanDerWaalsContact O-CG 3.27Å; R32-K36 WeakPolarHBondContact O-CG 3.37Å; R32-K36 PolarHBondContact O-N 3.04Å; A33-K36 PolarHBondContact O-N 2.96Å; K36-R39 WeakPolarHBondContact O-CB 3.39Å
37	T	63.2	Low	58.6	Low	105 Å²	105	97.1 Å²	97.1	64%	0.644	51%	0.514	S	S	*	.	H	α-helix	trans	-70.1	-40	176.9	-55.8	0	0	0	0	111.5	A33 T34 L35	A33-T37 PolarHBondContact O-N 3.44Å; A33-T37 PolarHBondContact O-OG1 3.09Å; T34-T37 WeakPolarHBondContact O-CB 3.5Å; T34-T37 PolarHBondContact O-N 3.47Å; L35-T37 PolarHBondContact O-N 2.88Å
38	I	62.7	Low	59.6	Low	86 Å²	86	99.3 Å²	99.3	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-68.4	-36.1	177.7	-65.7	167	0	0	0	111.4	T34 L35 N40 G41	T34-I38 HydrophobicContact CG2-CD1 4.34Å; T34-I38 WeakPolarHBondContact O-CG1 3.24Å; T34-I38 PolarHBondContact O-N 3.23Å; L35-I38 PolarHBondContact O-N 3.36Å; I38-N40 VanDerWaalsContact C-N 3.28Å; I38-N40 PolarHBondContact O-N 3.47Å; I38-G41 PolarHBondContact O-N 3.49Å
39	R	55.9	Low	60.6	Low	109 Å²	109	94.1 Å²	94.1	41%	0.411	49%	0.485	S	S	.	.	H	α-helix	trans	-54.5	-36.3	178.2	-177.2	-179.5	64	164.7	3.9	113.9	L35 K36 G41	L35-R39 WeakPolarHBondContact O-CB 3.48Å; L35-R39 PolarHBondContact O-N 2.93Å; K36-R39 WeakPolarHBondContact O-CB 3.39Å; R39-G41 PolarHBondContact O-N 3.02Å
40	N	58.7	Low	61.1	Low	139 Å²	139	94 Å²	94	74%	0.743	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.5	-179.3	-67.4	-12.6	0	0	0	113.5	I38	I38-N40 VanDerWaalsContact C-N 3.28Å; I38-N40 PolarHBondContact O-N 3.47Å
41	G	64.4	Low	61.3	Low	62 Å²	62	92.4 Å²	92.4	64%	0.639	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-17.2	-174.7	0	0	0	0	0	116.3	I38 R39	I38-G41 PolarHBondContact O-N 3.49Å; R39-G41 PolarHBondContact O-N 3.02Å
42	V	61.3	Low	61.3	Low	64 Å²	64	89 Å²	89	39%	0.388	48%	0.476	S	S	.	.			trans	-145.6	95.5	-167.7	-161.2	0	0	0	0	114.3	K44 I45	V42-K44 PolarHBondContact O-N 3.3Å; V42-I45 HydrophobicContact CB-CB 4.41Å; V42-I45 HydrophobicContact CB-CD1 3.69Å; V42-I45 HydrophobicContact CB-CG1 3.92Å; V42-I45 HydrophobicContact CG1-CB 4.42Å; V42-I45 HydrophobicContact CG1-CD1 3.56Å; V42-I45 HydrophobicContact CG1-CG1 3.54Å; V42-I45 HydrophobicContact CG2-CD1 3.88Å; V42-I45 PolarHBondContact O-N 3.47Å
43	H	54	Low	61.5	Low	186 Å²	186	88 Å²	88	86%	0.861	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	2.6	-179.1	-94	-73.7	0	0	0	117.6
44	K	54.6	Low	61.5	Low	186 Å²	186	90.6 Å²	90.6	81%	0.809	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-10.3	-179.3	-127.6	-178.2	-174.4	-178.4	0	114	V42	V42-K44 PolarHBondContact O-N 3.3Å
45	I	59.3	Low	61.2	Low	71 Å²	71	89.3 Å²	89.3	36%	0.364	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-19.4	176.5	-55.2	178	0	0	0	109.9	V42 T47 Y48 L49	V42-I45 HydrophobicContact CB-CB 4.41Å; V42-I45 HydrophobicContact CB-CD1 3.69Å; V42-I45 HydrophobicContact CB-CG1 3.92Å; V42-I45 HydrophobicContact CG1-CB 4.42Å; V42-I45 HydrophobicContact CG1-CD1 3.56Å; V42-I45 HydrophobicContact CG1-CG1 3.54Å; V42-I45 HydrophobicContact CG2-CD1 3.88Å; V42-I45 PolarHBondContact O-N 3.47Å; I45-T47 VanDerWaalsContact C-N 3.29Å; I45-T47 PolarHBondContact O-N 3.38Å; I45-T47 VanDerWaalsContact O-N 3.14Å; I45-Y48 PolarHBondContact O-N 2.97Å; I45-L49 HydrophobicContact CB-CD1 4.01Å; I45-L49 HydrophobicContact CG2-CB 4.43Å; I45-L49 HydrophobicContact CG2-CD1 3.33Å; I45-L49 HydrophobicContact CG2-CG 3.62Å; I45-L49 WeakPolarHBondContact O-CB 3.33Å; I45-L49 PolarHBondContact O-N 3.24Å
46	D	58.4	Low	61.2	Low	42 Å²	42	91 Å²	91	23%	0.225	48%	0.481	C	S	.	.	H	α-helix	trans	-49.2	-44.2	-178.6	-65.3	-33.1	0	0	0	113.2	Y48 L49 N50	D46-Y48 PolarHBondContact O-N 3.45Å; D46-L49 PolarHBondContact O-N 3.41Å; D46-N50 WeakPolarHBondContact O-CA 3.3Å; D46-N50 WeakPolarHBondContact O-CB 3.43Å; D46-N50 PolarHBondContact O-N 2.76Å; D46-N50 PolarHBondContact O-ND2 3.45Å
47	T	63	Low	61.3	Low	108 Å²	108	86.2 Å²	86.2	66%	0.663	46%	0.462	S	S	*	.	H	α-helix	trans	-64	-42.3	179.7	-48.8	0	0	0	0	113.1	I45 A51	I45-T47 VanDerWaalsContact C-N 3.29Å; I45-T47 PolarHBondContact O-N 3.38Å; I45-T47 VanDerWaalsContact O-N 3.14Å; T47-A51 VanDerWaalsContact O-CB 3.25Å; T47-A51 WeakPolarHBondContact O-CB 3.09Å; T47-A51 PolarHBondContact O-N 3.35Å
48	Y	64.5	Low	60.9	Low	184 Å²	184	81.9 Å²	81.9	72%	0.722	44%	0.438	S	S	*	.	H	α-helix	trans	-76.9	-36.8	180	-69.8	-78.4	0	0	0	111.9	I45 D46 A52	I45-Y48 PolarHBondContact O-N 2.97Å; D46-Y48 PolarHBondContact O-N 3.45Å; Y48-A52 VanDerWaalsContact O-CB 3.28Å; Y48-A52 WeakPolarHBondContact O-CB 3.46Å; Y48-A52 PolarHBondContact O-N 2.94Å
49	L	65.2	Low	60.2	Low	27 Å²	27	85.4 Å²	85.4	14%	0.141	45%	0.453	C	S	.	.	H	α-helix	trans	-64.7	-46	173	-90.5	163.5	0	0	0	110.8	L35 I45 D46 A52 L53	L35-L49 HydrophobicContact CD1-CD2 4.44Å; L35-L49 HydrophobicContact CD2-CD2 3.81Å; I45-L49 HydrophobicContact CB-CD1 4.01Å; I45-L49 HydrophobicContact CG2-CB 4.43Å; I45-L49 HydrophobicContact CG2-CD1 3.33Å; I45-L49 HydrophobicContact CG2-CG 3.62Å; I45-L49 WeakPolarHBondContact O-CB 3.33Å; I45-L49 PolarHBondContact O-N 3.24Å; D46-L49 PolarHBondContact O-N 3.41Å; L49-A52 CarbonylContact O-C 3.55Å; L49-A52 PolarHBondContact O-N 3.33Å; L49-L53 HydrophobicContact CB-CD1 4.47Å; L49-L53 VanDerWaalsContact O-CB 3.25Å; L49-L53 WeakPolarHBondContact O-CB 3.06Å; L49-L53 WeakPolarHBondContact O-CD1 3.29Å; L49-L53 PolarHBondContact O-N 3.17Å
50	N	62.1	Low	60.1	Low	78 Å²	78	86.5 Å²	86.5	42%	0.417	47%	0.467	S	S	.	.	H	α-helix	trans	-64.8	-41.5	177.3	-67.4	-22.6	0	0	0	110.7	D46 A52 L53 D54	D46-N50 WeakPolarHBondContact O-CA 3.3Å; D46-N50 WeakPolarHBondContact O-CB 3.43Å; D46-N50 PolarHBondContact O-N 2.76Å; D46-N50 PolarHBondContact O-ND2 3.45Å; N50-A52 VanDerWaalsContact C-N 3.33Å; N50-A52 PolarHBondContact O-N 3.3Å; N50-L53 PolarHBondContact O-N 2.95Å; N50-D54 VanDerWaalsContact O-CB 3.28Å; N50-D54 WeakPolarHBondContact O-CB 3.09Å; N50-D54 VanDerWaalsContact O-CG 3.27Å; N50-D54 PolarHBondContact O-N 3.49Å
51	A	63.1	Low	60.2	Low	56 Å²	56	81.6 Å²	81.6	46%	0.463	45%	0.449	S	S	.	.	H	α-helix	trans	-61.4	-40.5	172.6	0	0	0	0	0	112.3	T47 L55	T47-A51 VanDerWaalsContact O-CB 3.25Å; T47-A51 WeakPolarHBondContact O-CB 3.09Å; T47-A51 PolarHBondContact O-N 3.35Å; A51-L55 WeakPolarHBondContact O-CB 3.31Å; A51-L55 PolarHBondContact O-N 3.36Å
52	A	65.8	Low	60.3	Low	41 Å²	41	84.2 Å²	84.2	34%	0.339	45%	0.447	S	S	.	.	H	α-helix	trans	-71.7	-36.5	176.1	0	0	0	0	0	112.7	Y48 L49 N50 L55 L56	Y48-A52 VanDerWaalsContact O-CB 3.28Å; Y48-A52 WeakPolarHBondContact O-CB 3.46Å; Y48-A52 PolarHBondContact O-N 2.94Å; L49-A52 CarbonylContact O-C 3.55Å; L49-A52 PolarHBondContact O-N 3.33Å; N50-A52 VanDerWaalsContact C-N 3.33Å; N50-A52 PolarHBondContact O-N 3.3Å; A52-L55 WeakPolarHBondContact O-CB 3.42Å; A52-L55 PolarHBondContact O-N 2.77Å; A52-L56 VanDerWaalsContact O-CB 3.3Å; A52-L56 WeakPolarHBondContact O-CB 3.33Å; A52-L56 VanDerWaalsContact O-CG 3.23Å; A52-L56 WeakPolarHBondContact O-CG 3.47Å; A52-L56 PolarHBondContact O-N 2.9Å
53	L	62.4	Low	61.3	Low	33 Å²	33	82 Å²	82	17%	0.173	43%	0.434	C	S	.	.	H	α-helix	trans	-66.1	-46.4	174.7	-90.8	144	0	0	0	110.3	L49 N50 L55 L56 G57 G58	L49-L53 HydrophobicContact CB-CD1 4.47Å; L49-L53 VanDerWaalsContact O-CB 3.25Å; L49-L53 WeakPolarHBondContact O-CB 3.06Å; L49-L53 WeakPolarHBondContact O-CD1 3.29Å; L49-L53 PolarHBondContact O-N 3.17Å; N50-L53 PolarHBondContact O-N 2.95Å; L53-L55 VanDerWaalsContact C-N 3.26Å; L53-L55 PolarHBondContact O-N 3.48Å; L53-L56 PolarHBondContact O-N 2.05Å; L53-G57 PolarHBondContact O-N 2.86Å; L53-G58 WeakPolarHBondContact O-CA 3.42Å; L53-G58 PolarHBondContact O-N 3.27Å
54	D	61.4	Low	62.9	Low	96 Å²	96	78 Å²	78	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-60.5	-36.6	172.9	-76.4	-16.1	0	0	0	111.9	N50	N50-D54 VanDerWaalsContact O-CB 3.28Å; N50-D54 WeakPolarHBondContact O-CB 3.09Å; N50-D54 VanDerWaalsContact O-CG 3.27Å; N50-D54 PolarHBondContact O-N 3.49Å
55	L	61.8	Low	64.6	Low	53 Å²	53	71.1 Å²	71.1	28%	0.277	39%	0.385	S	S	.	.	H	α-helix	trans	-68.8	-37.4	176.6	-164.9	65.3	0	0	0	112.6	A51 A52 L53 L91 F92 L166	A51-L55 WeakPolarHBondContact O-CB 3.31Å; A51-L55 PolarHBondContact O-N 3.36Å; A52-L55 WeakPolarHBondContact O-CB 3.42Å; A52-L55 PolarHBondContact O-N 2.77Å; L53-L55 VanDerWaalsContact C-N 3.26Å; L53-L55 PolarHBondContact O-N 3.48Å; L55-L91 HydrophobicContact CD1-CD2 4.13Å; L55-F92 HydrophobicContact CD1-CE1 3.99Å; L55-F92 HydrophobicContact CD1-CZ 3.55Å; L55-F92 HydrophobicContact CD2-CE1 4.27Å; L55-F92 HydrophobicContact CD2-CZ 4.39Å; L55-F92 HydrophobicContact CG-CZ 4.27Å; L55-L166 HydrophobicContact CD2-CD2 4.31Å; L55-L166 HydrophobicContact CG-CD2 3.94Å
56	L	62.9	Low	66	Low	79 Å²	79	74.7 Å²	74.7	41%	0.414	40%	0.399	S	S	.	.	H	α-helix	trans	-97.8	-0.8	-174	-65.9	171.9	0	0	0	114.3	A52 L53 H165 L166	A52-L56 VanDerWaalsContact O-CB 3.3Å; A52-L56 WeakPolarHBondContact O-CB 3.33Å; A52-L56 VanDerWaalsContact O-CG 3.23Å; A52-L56 WeakPolarHBondContact O-CG 3.47Å; A52-L56 PolarHBondContact O-N 2.9Å; L53-L56 PolarHBondContact O-N 2.05Å; L56-H165 CarbonylContact C-O 3.55Å; L56-L166 HydrophobicContact CD2-CD2 3.86Å
57	G	62	Low	67.6	Low	5 Å²	5	73.2 Å²	73.2	5%	0.052	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	148.3	3.9	175.3	0	0	0	0	0	118.1	L53 G61	L53-G57 PolarHBondContact O-N 2.86Å; G57-G61 WeakPolarHBondContact O-CA 3.3Å; G57-G61 PolarHBondContact O-N 2.88Å; G57-G61 VanDerWaalsContact O-N 3.14Å
58	G	56	Low	68.7	Low	14 Å²	14	74.2 Å²	74.2	14%	0.144	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	178.5	-175.7	0	0	0	0	0	113.9	R32 L53 D60 G61	R32-G58 PolarHBondContact NH1-O 3.4Å; L53-G58 WeakPolarHBondContact O-CA 3.42Å; L53-G58 PolarHBondContact O-N 3.27Å; G58-D60 PolarHBondContact O-N 2.97Å; G58-D60 VanDerWaalsContact O-N 3.13Å; G58-G61 PolarHBondContact O-N 3.17Å
59	E	48.1	Very low	69.7	Low	161 Å²	161	68.2 Å²	68.2	75%	0.752	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.4	-171.8	-133.3	174.7	135	0	0	113.3	R32	R32-E59 PolarHBondContact NH1-O 3.28Å
60	D	53.7	Low	70.7	Confident	132 Å²	132	70.2 Å²	70.2	71%	0.706	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-7.7	-176.2	-60.4	-25	0	0	0	114.6	G58 L62	G58-D60 PolarHBondContact O-N 2.97Å; G58-D60 VanDerWaalsContact O-N 3.13Å; D60-L62 HydrophobicContact CB-CD1 4.37Å; D60-L62 PolarHBondContact O-N 3.37Å
61	G	59.7	Low	72.1	Confident	35 Å²	35	67.7 Å²	67.7	36%	0.361	40%	0.399	S	S	.	.	S	Bend	trans	67.7	-7.4	-177.9	0	0	0	0	0	115.7	G57 G58	G57-G61 WeakPolarHBondContact O-CA 3.3Å; G57-G61 PolarHBondContact O-N 2.88Å; G57-G61 VanDerWaalsContact O-N 3.14Å; G58-G61 PolarHBondContact O-N 3.17Å
62	L	67.9	Low	73.4	Confident	117 Å²	117	73.5 Å²	73.5	61%	0.613	41%	0.414	S	S	*	.			trans	-87.6	-15.2	-170.3	-79.3	156.4	0	0	0	114	D60 Q64	D60-L62 HydrophobicContact CB-CD1 4.37Å; D60-L62 PolarHBondContact O-N 3.37Å; L62-Q64 VanDerWaalsContact C-N 3.35Å; L62-Q64 HydrophobicContact CB-CG 4.37Å; L62-Q64 WeakPolarHBondContact O-CG 3.45Å; L62-Q64 PolarHBondContact O-N 2.87Å
63	C	81.8	Confident	74.8	Confident	17 Å²	17	72.8 Å²	72.8	12%	0.115	41%	0.406	C	S	.	.			trans	41.2	55.6	175.9	-55.8	0	0	0	0	113.8	K121 C168 Y171	C63-K121 HydrophobicContact CB-CD 3.55Å; C63-C168 HydrophobicContact CB-CB 4.08Å; C63-C168 WeakPolarHBondContact CB-SG 3.33Å; C63-C168 WeakPolarHBondContact SG-CB 3.3Å; C63-C168 CovalentContact SG-SG 2.03Å; C63-C168 PolarHBondContact SG-SG 3.39Å; C63-Y171 HydrophobicContact CB-CD1 4.48Å; C63-Y171 WeakPolarHBondContact O-CD1 3.23Å; C63-Y171 WeakPolarHBondContact O-CE1 3.3Å
64	Q	87.3	Confident	76.3	Confident	104 Å²	104	74.7 Å²	74.7	49%	0.486	41%	0.413	S	S	.	.			trans	-105.6	128.6	179.1	-65.4	179.6	1.9	0	0	110.3	L62	L62-Q64 VanDerWaalsContact C-N 3.35Å; L62-Q64 HydrophobicContact CB-CG 4.37Å; L62-Q64 WeakPolarHBondContact O-CG 3.45Å; L62-Q64 PolarHBondContact O-N 2.87Å
65	Y	89.8	Confident	77.9	Confident	40 Å²	40	74.7 Å²	74.7	16%	0.157	42%	0.418	C	S	.	.			trans	-81.4	120.5	173	-176.9	-104.3	0	0	0	110	P73 L172 Q175 R176 C179	Y65-P73 HydrophobicContact CD1-CB 4.02Å; Y65-P73 HydrophobicContact CD1-CG 4.1Å; Y65-P73 HydrophobicContact CE1-CB 3.69Å; Y65-P73 HydrophobicContact CE1-CG 4.28Å; Y65-L172 HydrophobicContact CD2-CD2 4.48Å; Y65-Q175 HydrophobicContact CD1-CB 3.82Å; Y65-Q175 HydrophobicContact CD2-CB 3.64Å; Y65-Q175 HydrophobicContact CE1-CB 4.35Å; Y65-Q175 HydrophobicContact CE2-CB 4.21Å; Y65-Q175 HydrophobicContact CG-CB 3.42Å; Y65-Q175 VanDerWaalsContact CG-CB 3.42Å; Y65-Q175 HydrophobicContact CG-CG 4.15Å; Y65-R176 HydrophobicContact CE2-CB 4.13Å; Y65-C179 HydrophobicContact CD1-CB 4.42Å; Y65-C179 HydrophobicContact CE1-CB 3.53Å
66	K	90	Very high	79.4	Confident	147 Å²	147	75.8 Å²	75.8	64%	0.639	42%	0.418	S	S	*	.			trans	-134.6	144	177.5	-64.2	179.9	-175.8	168.3	0	109
67	C	90.4	Very high	80.8	Confident	10 Å²	10	82.9 Å²	82.9	7%	0.068	44%	0.441	C	S	.	.			trans	-72.9	140.9	171.4	-64.9	0	0	0	0	110.3	D69 G70 S71 C181	C67-D69 WeakPolarHBondContact CB-OD1 3.45Å; C67-D69 PolarHBondContact O-N 3.17Å; C67-G70 PolarHBondContact O-N 3.08Å; C67-S71 WeakPolarHBondContact CB-O 3.02Å; C67-C181 WeakPolarHBondContact CA-SG 3.08Å; C67-C181 HydrophobicContact CB-CB 3.58Å; C67-C181 WeakPolarHBondContact CB-SG 3.25Å; C67-C181 VanDerWaalsContact SG-CA 3.53Å; C67-C181 WeakPolarHBondContact SG-CB 3.46Å; C67-C181 CovalentContact SG-SG 2.03Å; C67-C181 PolarHBondContact SG-SG 3.03Å
68	S	86.9	Confident	82.1	Confident	130 Å²	130	85.5 Å²	85.5	91%	0.909	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.1	179.1	47.8	0	0	0	0	112.8	G70	S68-G70 PolarHBondContact O-N 3.4Å
69	D	85.4	Confident	83.8	Confident	57 Å²	57	87.9 Å²	87.9	31%	0.305	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.4	174.8	65.9	-1.6	0	0	0	113.4	C67 S71 Y183	C67-D69 WeakPolarHBondContact CB-OD1 3.45Å; C67-D69 PolarHBondContact O-N 3.17Å; D69-S71 PolarHBondContact O-N 3.07Å; D69-S71 WeakPolarHBondContact OD1-CB 3.33Å; D69-S71 PolarHBondContact OD1-N 3.36Å; D69-S71 PolarHBondContact OD1-OG 3.47Å; D69-S71 PolarHBondContact OD2-OG 3.24Å; D69-Y183 HydrophobicContact CB-CD2 4.31Å; D69-Y183 WeakPolarHBondContact OD2-CD2 3.48Å; D69-Y183 PolarHBondContact OD2-N 3.37Å
70	G	86.9	Confident	86	Confident	70 Å²	70	88.9 Å²	88.9	72%	0.722	48%	0.475	S	S	*	.	S	Bend	trans	73.9	1.9	-175.7	0	0	0	0	0	114.5	C67 S68	C67-G70 PolarHBondContact O-N 3.08Å; S68-G70 PolarHBondContact O-N 3.4Å
71	S	90.3	Very high	87.6	Confident	25 Å²	25	85.3 Å²	85.3	18%	0.175	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-69.5	157	176.4	72	0	0	0	0	111.6	C67 D69 H182	C67-S71 WeakPolarHBondContact CB-O 3.02Å; D69-S71 PolarHBondContact O-N 3.07Å; D69-S71 WeakPolarHBondContact OD1-CB 3.33Å; D69-S71 PolarHBondContact OD1-N 3.36Å; D69-S71 PolarHBondContact OD1-OG 3.47Å; D69-S71 PolarHBondContact OD2-OG 3.24Å; S71-H182 PolarHBondContact OG-N 3.17Å
72	K	91.9	Very high	88.8	Confident	178 Å²	178	86.6 Å²	86.6	77%	0.774	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-74.6	127.6	173.4	-173.5	176.8	178.4	178.5	0	108.8
73	P	93.4	Very high	89.7	Confident	25 Å²	25	86.3 Å²	86.3	16%	0.162	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-65	142.4	176.2	28.1	-35.2	0	0	0	110.4	Y65 C179 R180	Y65-P73 HydrophobicContact CD1-CB 4.02Å; Y65-P73 HydrophobicContact CD1-CG 4.1Å; Y65-P73 HydrophobicContact CE1-CB 3.69Å; Y65-P73 HydrophobicContact CE1-CG 4.28Å; P73-C179 HydrophobicContact CB-CB 4.01Å; P73-R180 WeakPolarHBondContact CA-O 3.39Å
74	F	93.9	Very high	89.8	Confident	74 Å²	74	89.8 Å²	89.8	33%	0.325	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.5	177	60.9	-90.7	0	0	0	111.1	R76 C117 C179 R180 H182	F74-R76 PolarHBondContact O-N 2.93Å; F74-C117 PolarHBondContact O-SG 3.4Å; F74-C117 VanDerWaalsContact O-SG 3.37Å; F74-C179 CarbonylContact O-C 3.54Å; F74-C179 WeakPolarHBondContact O-CA 3.38Å; F74-R180 WeakPolarHBondContact CD1-O 3.03Å; F74-R180 HydrophobicContact CD2-CB 4.31Å; F74-R180 HydrophobicContact CE1-CB 4.27Å; F74-R180 HydrophobicContact CE2-CB 3.71Å; F74-R180 HydrophobicContact CZ-CB 3.68Å; F74-R180 PolarHBondContact N-O 2.92Å; F74-R180 PolarHBondContact O-N 3.01Å; F74-H182 AromaticContact CE1-CD2 3.79Å
75	P	95.4	Very high	89.4	Confident	96 Å²	96	87.8 Å²	87.8	62%	0.623	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	132.3	-177	-24.3	33.3	0	0	0	112.7	Y77 C117	P75-Y77 PolarHBondContact O-N 3.01Å; P75-C117 HydrophobicContact CB-CB 4.2Å; P75-C117 HydrophobicContact CG-CB 4.11Å
76	R	94.1	Very high	89.1	Confident	75 Å²	75	85.9 Å²	85.9	28%	0.283	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-68.5	123.3	175.2	-179.5	176.3	-65.2	-111.2	-8.8	109.6	F74 G78 Y79 A177 A178 C179 R180 E184	F74-R76 PolarHBondContact O-N 2.93Å; R76-G78 PolarHBondContact O-N 3.47Å; R76-Y79 VanDerWaalsContact O-CB 3.31Å; R76-Y79 WeakPolarHBondContact O-CB 3.48Å; R76-Y79 PolarHBondContact O-N 2.97Å; R76-A177 WeakPolarHBondContact CD-O 3.48Å; R76-A177 PolarHBondContact NE-O 2.97Å; R76-A178 VanDerWaalsContact CB-O 3.31Å; R76-A178 WeakPolarHBondContact CB-O 3.5Å; R76-A178 PolarHBondContact N-O 3.05Å; R76-C179 PolarHBondContact NE-O 2.79Å; R76-C179 PolarHBondContact NH2-O 3.01Å; R76-R180 HydrophobicContact CB-CG 4.18Å; R76-R180 HydrophobicContact CG-CG 4.12Å; R76-E184 IonicContact NH2-OE1 2.88Å; R76-E184 PolarHBondContact NH2-OE1 3.17Å; R76-E184 IonicContact NH2-OE2 2.77Å
77	Y	91.6	Very high	88.5	Confident	228 Å²	228	79.9 Å²	79.9	89%	0.894	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	131.4	179.4	-176.5	-99.3	0	0	0	111.4	P75 Y79	P75-Y77 PolarHBondContact O-N 3.01Å; Y77-Y79 PolarHBondContact O-N 3.38Å
78	G	90.4	Very high	87.5	Confident	61 Å²	61	79.8 Å²	79.8	63%	0.629	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	7	179.4	0	0	0	0	0	115.2	R76 K80	R76-G78 PolarHBondContact O-N 3.47Å; G78-K80 PolarHBondContact O-N 3.22Å
79	Y	91.7	Very high	86.2	Confident	64 Å²	64	75.1 Å²	75.1	25%	0.251	42%	0.42	S	S	.	.			trans	-59.6	129.6	173.8	176.9	-108.3	0	0	0	110.5	R76 Y77 P81 E115 A177 A178	R76-Y79 VanDerWaalsContact O-CB 3.31Å; R76-Y79 WeakPolarHBondContact O-CB 3.48Å; R76-Y79 PolarHBondContact O-N 2.97Å; Y77-Y79 PolarHBondContact O-N 3.38Å; Y79-P81 HydrophobicContact CE1-CB 4.05Å; Y79-E115 HydrophobicContact CE1-CB 4.24Å; Y79-E115 WeakPolarHBondContact OH-CG 3.44Å; Y79-E115 PolarHBondContact OH-OE1 3.16Å; Y79-A177 WeakPolarHBondContact CD2-O 3.4Å; Y79-A177 HydrophobicContact CE2-CB 3.94Å; Y79-A178 HydrophobicContact CD1-CB 3.92Å; Y79-A178 HydrophobicContact CE1-CB 3.57Å; Y79-A178 HydrophobicContact CE2-CB 4.48Å; Y79-A178 HydrophobicContact CG-CB 4.49Å
80	K	92.6	Very high	84.7	Confident	181 Å²	181	78.1 Å²	78.1	79%	0.787	44%	0.443	S	S	*	.			trans	-111.5	115.9	175.5	-68.4	-175.1	-177.4	178.6	0	107.9	G78	G78-K80 PolarHBondContact O-N 3.22Å
81	P	88	Confident	82.9	Confident	57 Å²	57	78.7 Å²	78.7	37%	0.37	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-66.4	148.9	179.4	25.2	-29.7	0	0	0	110.3	Y79 R112 E115	Y79-P81 HydrophobicContact CE1-CB 4.05Å; P81-R112 VanDerWaalsContact CB-NH1 3.28Å; P81-R112 PolarHBondContact O-NH1 3.18Å; P81-E115 WeakPolarHBondContact CA-OE2 3.4Å; P81-E115 HydrophobicContact CB-CB 4.22Å; P81-E115 WeakPolarHBondContact CB-OE2 3.49Å
82	S	85.8	Confident	81	Confident	63 Å²	63	81.5 Å²	81.5	44%	0.441	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-64.1	153.2	-167.1	-53.6	0	0	0	0	111.7	R112 E115	S82-R112 PolarHBondContact O-NH1 3.24Å; S82-E115 WeakPolarHBondContact CB-OE1 3.35Å; S82-E115 PolarHBondContact N-OE1 3.12Å; S82-E115 PolarHBondContact N-OE2 3.42Å; S82-E115 VanDerWaalsContact N-OE2 3.09Å; S82-E115 PolarHBondContact OG-OE1 3.16Å
83	P	85.9	Confident	78.9	Confident	110 Å²	110	76.2 Å²	76.2	71%	0.714	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-58.2	144.1	171.2	-23.1	34.2	0	0	0	111	N85	P83-N85 PolarHBondContact O-N 3.45Å
84	P	84.4	Confident	76.9	Confident	91 Å²	91	78.4 Å²	78.4	59%	0.591	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-54.2	125.9	174.3	-24.6	33.9	0	0	0	111.7	N108	P84-N108 WeakPolarHBondContact CA-OD1 3.38Å; P84-N108 HydrophobicContact CB-CB 4.26Å; P84-N108 WeakPolarHBondContact CB-OD1 3.43Å
85	N	79.4	Confident	74.9	Confident	61 Å²	61	82 Å²	82	33%	0.326	46%	0.464	S	S	.	.			trans	-123.1	4.9	-176.9	63.9	-27.5	0	0	0	113.2	P83 G88 N108 D111	P83-N85 PolarHBondContact O-N 3.45Å; N85-G88 PolarHBondContact ND2-O 2.93Å; N85-N108 PolarHBondContact N-OD1 2.87Å; N85-N108 VanDerWaalsContact N-OD1 3.16Å; N85-D111 PolarHBondContact OD1-OD2 3.25Å
86	G	82	Confident	72.9	Confident	1 Å²	1	81.3 Å²	81.3	1%	0.01	46%	0.455	C	S	.	.			trans	75.1	-147.4	-179.7	0	0	0	0	0	112.4	G88 C107 N108	G86-G88 PolarHBondContact O-N 2.03Å; G86-C107 WeakPolarHBondContact O-CB 3.44Å; G86-N108 WeakPolarHBondContact CA-OD1 3.23Å; G86-N108 PolarHBondContact N-OD1 2.86Å
87	C	78.3	Confident	71.1	Confident	21 Å²	21	82.4 Å²	82.4	14%	0.142	47%	0.466	C	S	.	.	S	Bend	trans	-86.6	24.3	-179.5	-49.2	0	0	0	0	112.6	L96 C107	C87-L96 HydrophobicContact CB-CB 4.47Å; C87-C107 VanDerWaalsContact CA-SG 3.55Å; C87-C107 HydrophobicContact CB-CB 3.82Å; C87-C107 WeakPolarHBondContact CB-SG 3.36Å; C87-C107 WeakPolarHBondContact SG-CB 3.27Å; C87-C107 CovalentContact SG-SG 2.03Å; C87-C107 PolarHBondContact SG-SG 3.43Å
88	G	68.2	Low	69.4	Low	8 Å²	8	74.6 Å²	74.6	8%	0.082	44%	0.439	C	S	.	.			trans	-88.1	128.6	-178.3	0	0	0	0	0	111	N85 G86 V94	N85-G88 PolarHBondContact ND2-O 2.93Å; G86-G88 PolarHBondContact O-N 2.03Å; G88-V94 WeakPolarHBondContact CA-O 3.46Å
89	S	60.1	Low	67.9	Low	31 Å²	31	75.5 Å²	75.5	22%	0.217	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-98.7	123.2	169.7	175	0	0	0	0	109.8	L91 F92 G93	S89-L91 PolarHBondContact O-N 2.04Å; S89-L91 VanDerWaalsContact O-N 3.12Å; S89-L91 WeakPolarHBondContact OG-CB 3.45Å; S89-L91 PolarHBondContact OG-N 3.47Å; S89-F92 PolarHBondContact O-N 2.97Å; S89-G93 PolarHBondContact O-N 3.26Å
90	P	53.8	Low	67	Low	120 Å²	120	76.4 Å²	76.4	78%	0.779	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.7	173.6	-23.3	32.5	0	0	0	112.6	F92	P90-F92 PolarHBondContact O-N 3.28Å
91	L	49.7	Very low	66.5	Low	82 Å²	82	72.7 Å²	72.7	43%	0.429	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.8	-177.4	-168.1	69	0	0	0	113	L55 S89 K169	L55-L91 HydrophobicContact CD1-CD2 4.13Å; S89-L91 PolarHBondContact O-N 2.04Å; S89-L91 VanDerWaalsContact O-N 3.12Å; S89-L91 WeakPolarHBondContact OG-CB 3.45Å; S89-L91 PolarHBondContact OG-N 3.47Å; L91-K169 HydrophobicContact CD1-CD 4.27Å; L91-K169 VanDerWaalsContact CD1-CE 3.5Å; L91-K169 HydrophobicContact CD2-CD 3.67Å; L91-K169 HydrophobicContact CD2-CG 4.22Å
92	F	50.6	Low	66.3	Low	85 Å²	85	72.9 Å²	72.9	37%	0.373	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-0.5	-174.9	-63.3	-71.9	0	0	0	113.3	L55 S89 P90 V94 L166	L55-F92 HydrophobicContact CD1-CE1 3.99Å; L55-F92 HydrophobicContact CD1-CZ 3.55Å; L55-F92 HydrophobicContact CD2-CE1 4.27Å; L55-F92 HydrophobicContact CD2-CZ 4.39Å; L55-F92 HydrophobicContact CG-CZ 4.27Å; S89-F92 PolarHBondContact O-N 2.97Å; P90-F92 PolarHBondContact O-N 3.28Å; F92-V94 HydrophobicContact CB-CG2 3.82Å; F92-V94 PolarHBondContact O-N 3.44Å; F92-L166 HydrophobicContact CE2-CB 4.33Å; F92-L166 HydrophobicContact CE2-CD1 4.39Å; F92-L166 HydrophobicContact CZ-CB 4.35Å; F92-L166 HydrophobicContact CZ-CD1 4.16Å; F92-L166 HydrophobicContact CZ-CD2 4.39Å
93	G	46.9	Very low	66.2	Low	66 Å²	66	70.4 Å²	70.4	68%	0.68	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	12.8	177.6	0	0	0	0	0	114.7	S89	S89-G93 PolarHBondContact O-N 3.26Å
94	V	51.3	Low	66.2	Low	71 Å²	71	66.8 Å²	66.8	43%	0.43	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-104.7	113.1	-179.3	-70.1	0	0	0	0	109.6	G88 F92 L96	G88-V94 WeakPolarHBondContact CA-O 3.46Å; F92-V94 HydrophobicContact CB-CG2 3.82Å; F92-V94 PolarHBondContact O-N 3.44Å; V94-L96 VanDerWaalsContact C-N 3.33Å; V94-L96 HydrophobicContact CB-CG 4.36Å; V94-L96 HydrophobicContact CG2-CD1 4.4Å; V94-L96 HydrophobicContact CG2-CG 4.26Å; V94-L96 PolarHBondContact O-N 3.23Å; V94-L96 VanDerWaalsContact O-N 3.16Å
95	H	52.3	Low	66.5	Low	150 Å²	150	69.6 Å²	69.6	69%	0.694	42%	0.415	S	S	*	.			trans	-81.8	86.3	164.7	-70	-77.9	0	0	0	108.1	N97	H95-N97 PolarHBondContact O-N 3.15Å
96	L	54.4	Low	67.1	Low	81 Å²	81	66.9 Å²	66.9	42%	0.424	40%	0.4	S	S	.	.			trans	-74.9	63.3	168.7	-66.8	172.8	0	0	0	109.4	C87 V94 I98	C87-L96 HydrophobicContact CB-CB 4.47Å; V94-L96 VanDerWaalsContact C-N 3.33Å; V94-L96 HydrophobicContact CB-CG 4.36Å; V94-L96 HydrophobicContact CG2-CD1 4.4Å; V94-L96 HydrophobicContact CG2-CG 4.26Å; V94-L96 PolarHBondContact O-N 3.23Å; V94-L96 VanDerWaalsContact O-N 3.16Å; L96-I98 HydrophobicContact CB-CD1 4.4Å; L96-I98 HydrophobicContact CB-CG1 4.46Å; L96-I98 PolarHBondContact O-N 3.27Å
97	N	54.9	Low	67.5	Low	98 Å²	98	67 Å²	67	52%	0.524	40%	0.401	S	S	.	.			trans	-75.8	65.8	159.4	-71.6	-41.8	0	0	0	107.4	H95 G99	H95-N97 PolarHBondContact O-N 3.15Å; N97-G99 PolarHBondContact O-N 3.44Å
98	I	57.1	Low	68.1	Low	65 Å²	65	67.7 Å²	67.7	33%	0.333	40%	0.403	S	S	.	.			trans	-54.3	114.1	160.9	-64.7	156	0	0	0	103.2	L96 I100 L103	L96-I98 HydrophobicContact CB-CD1 4.4Å; L96-I98 HydrophobicContact CB-CG1 4.46Å; L96-I98 PolarHBondContact O-N 3.27Å; I98-I100 HydrophobicContact CG2-CB 4.25Å; I98-I100 HydrophobicContact CG2-CD1 3.62Å; I98-I100 HydrophobicContact CG2-CG1 3.8Å; I98-I100 PolarHBondContact O-N 2.9Å; I98-L103 HydrophobicContact CB-CD2 3.81Å; I98-L103 HydrophobicContact CD1-CD2 3.53Å; I98-L103 HydrophobicContact CG1-CD2 4.28Å; I98-L103 HydrophobicContact CG2-CD2 3.88Å
99	G	58.7	Low	69.3	Low	80 Å²	80	72.6 Å²	72.6	83%	0.825	42%	0.424	S	S	*	.	S	Bend	trans	-66.4	39.5	-168.9	0	0	0	0	0	115.1	N97	N97-G99 PolarHBondContact O-N 3.44Å
100	I	72.6	Confident	70.9	Confident	82 Å²	82	71.5 Å²	71.5	42%	0.421	42%	0.416	S	S	.	.			trans	-111.4	98.8	179.1	-58.8	175.6	0	0	0	106.3	I98 S102 L103 T104	I98-I100 HydrophobicContact CG2-CB 4.25Å; I98-I100 HydrophobicContact CG2-CD1 3.62Å; I98-I100 HydrophobicContact CG2-CG1 3.8Å; I98-I100 PolarHBondContact O-N 2.9Å; I100-S102 PolarHBondContact O-N 3.05Å; I100-S102 VanDerWaalsContact O-N 3.12Å; I100-L103 HydrophobicContact CB-CB 4.04Å; I100-L103 HydrophobicContact CG2-CB 4.03Å; I100-L103 WeakPolarHBondContact O-CB 3.26Å; I100-L103 PolarHBondContact O-N 3.25Å; I100-T104 PolarHBondContact O-N 3.25Å
101	P	81.4	Confident	72.8	Confident	104 Å²	104	68 Å²	68	68%	0.675	39%	0.391	S	S	*	.	H	α-helix	trans	-54.9	-34.2	-176.2	-28.6	35.6	0	0	0	114.2	L103 T104 K105	P101-L103 VanDerWaalsContact C-N 3.28Å; P101-L103 PolarHBondContact O-N 2.96Å; P101-T104 PolarHBondContact O-N 3.47Å; P101-K105 WeakPolarHBondContact O-CB 3.43Å; P101-K105 PolarHBondContact O-N 2.86Å
102	S	84.6	Confident	74.9	Confident	61 Å²	61	69 Å²	69	43%	0.427	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-34.4	177.2	-52.5	0	0	0	0	112.5	I100 K105 C106	I100-S102 PolarHBondContact O-N 3.05Å; I100-S102 VanDerWaalsContact O-N 3.12Å; S102-K105 PolarHBondContact O-N 3.46Å; S102-C106 PolarHBondContact O-N 3.33Å; S102-C106 VanDerWaalsContact O-N 3.17Å; S102-C106 PolarHBondContact O-SG 3.5Å; S102-C106 VanDerWaalsContact O-SG 3.38Å
103	L	83.4	Confident	77.1	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.052	37%	0.374	C	S	.	.	H	α-helix	trans	-71.8	-48.6	177.8	-171.4	72.2	0	0	0	111	I98 I100 P101 K105 C106 C107 L132 I135 L159	I98-L103 HydrophobicContact CB-CD2 3.81Å; I98-L103 HydrophobicContact CD1-CD2 3.53Å; I98-L103 HydrophobicContact CG1-CD2 4.28Å; I98-L103 HydrophobicContact CG2-CD2 3.88Å; I100-L103 HydrophobicContact CB-CB 4.04Å; I100-L103 HydrophobicContact CG2-CB 4.03Å; I100-L103 WeakPolarHBondContact O-CB 3.26Å; I100-L103 PolarHBondContact O-N 3.25Å; P101-L103 VanDerWaalsContact C-N 3.28Å; P101-L103 PolarHBondContact O-N 2.96Å; L103-K105 PolarHBondContact O-N 2.85Å; L103-C106 PolarHBondContact O-N 2.84Å; L103-C107 PolarHBondContact O-N 2.95Å; L103-C107 PolarHBondContact O-SG 3.02Å; L103-L132 HydrophobicContact CD1-CD2 3.2Å; L103-I135 HydrophobicContact CB-CD1 4.3Å; L103-I135 HydrophobicContact CD1-CD1 4.12Å; L103-L159 HydrophobicContact CD1-CD2 3.13Å; L103-L159 HydrophobicContact CD2-CD2 3.66Å; L103-L159 HydrophobicContact CG-CD2 3.84Å
104	T	85.8	Confident	79.3	Confident	35 Å²	35	62.5 Å²	62.5	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-52.6	-40.3	172.8	-59.1	0	0	0	0	111.2	I100 P101 C107 N108	I100-T104 PolarHBondContact O-N 3.25Å; P101-T104 PolarHBondContact O-N 3.47Å; T104-C107 PolarHBondContact O-N 2.85Å; T104-N108 WeakPolarHBondContact O-CB 3.34Å; T104-N108 PolarHBondContact O-N 3.18Å; T104-N108 PolarHBondContact O-ND2 2.73Å
105	K	90.4	Very high	81.4	Confident	150 Å²	150	60.1 Å²	60.1	65%	0.652	33%	0.326	S	S	*	.	H	α-helix	trans	-63.3	-44.3	176	-171.9	-178.4	178.4	-175.4	0	112.5	P101 S102 L103 Q109	P101-K105 WeakPolarHBondContact O-CB 3.43Å; P101-K105 PolarHBondContact O-N 2.86Å; S102-K105 PolarHBondContact O-N 3.46Å; L103-K105 PolarHBondContact O-N 2.85Å; K105-Q109 WeakPolarHBondContact O-CB 3.5Å; K105-Q109 PolarHBondContact O-N 3.18Å
106	C	91.9	Very high	83.5	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-42.7	177.2	-66	0	0	0	0	112.2	S102 L103 Q109 H110 F128 C131 L132	S102-C106 PolarHBondContact O-N 3.33Å; S102-C106 VanDerWaalsContact O-N 3.17Å; S102-C106 PolarHBondContact O-SG 3.5Å; S102-C106 VanDerWaalsContact O-SG 3.38Å; L103-C106 PolarHBondContact O-N 2.84Å; C106-Q109 WeakPolarHBondContact O-CB 3.46Å; C106-Q109 PolarHBondContact O-N 2.93Å; C106-H110 PolarHBondContact O-N 3.41Å; C106-F128 HydrophobicContact CB-CD2 4.06Å; C106-F128 HydrophobicContact CB-CE2 3.88Å; C106-C131 WeakPolarHBondContact CA-SG 3.39Å; C106-C131 HydrophobicContact CB-CB 3.78Å; C106-C131 WeakPolarHBondContact CB-SG 3.48Å; C106-C131 WeakPolarHBondContact SG-CB 3.5Å; C106-C131 PolarHBondContact SG-O 3.42Å; C106-C131 CovalentContact SG-SG 2.04Å; C106-C131 PolarHBondContact SG-SG 2.7Å; C106-L132 HydrophobicContact CB-CD2 3.91Å
107	C	90.3	Very high	85.5	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.034	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-46.5	177.8	-64	0	0	0	0	111.7	G86 C87 L103 T104 Q109 H110 D111	G86-C107 WeakPolarHBondContact O-CB 3.44Å; C87-C107 VanDerWaalsContact CA-SG 3.55Å; C87-C107 HydrophobicContact CB-CB 3.82Å; C87-C107 WeakPolarHBondContact CB-SG 3.36Å; C87-C107 WeakPolarHBondContact SG-CB 3.27Å; C87-C107 CovalentContact SG-SG 2.03Å; C87-C107 PolarHBondContact SG-SG 3.43Å; L103-C107 PolarHBondContact O-N 2.95Å; L103-C107 PolarHBondContact O-SG 3.02Å; T104-C107 PolarHBondContact O-N 2.85Å; C107-Q109 VanDerWaalsContact C-N 3.25Å; C107-Q109 PolarHBondContact O-N 3.33Å; C107-H110 WeakPolarHBondContact O-CB 3.44Å; C107-H110 PolarHBondContact O-N 3.36Å; C107-D111 PolarHBondContact O-N 3.05Å
108	N	91.3	Very high	87.3	Confident	34 Å²	34	51.3 Å²	51.3	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-34.6	176	-69.5	-36.9	0	0	0	113	P84 N85 G86 T104 R112	P84-N108 WeakPolarHBondContact CA-OD1 3.38Å; P84-N108 HydrophobicContact CB-CB 4.26Å; P84-N108 WeakPolarHBondContact CB-OD1 3.43Å; N85-N108 PolarHBondContact N-OD1 2.87Å; N85-N108 VanDerWaalsContact N-OD1 3.16Å; G86-N108 WeakPolarHBondContact CA-OD1 3.23Å; G86-N108 PolarHBondContact N-OD1 2.86Å; T104-N108 WeakPolarHBondContact O-CB 3.34Å; T104-N108 PolarHBondContact O-N 3.18Å; T104-N108 PolarHBondContact O-ND2 2.73Å; N108-R112 WeakPolarHBondContact O-CB 3.45Å; N108-R112 VanDerWaalsContact O-CG 3.23Å; N108-R112 WeakPolarHBondContact O-CG 3.05Å; N108-R112 PolarHBondContact O-N 2.98Å
109	Q	94.2	Very high	89.2	Confident	111 Å²	111	52 Å²	52	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-67.4	-40.8	174.7	-176.4	77.9	33.6	0	0	111.1	K105 C106 C107 R112 C113	K105-Q109 WeakPolarHBondContact O-CB 3.5Å; K105-Q109 PolarHBondContact O-N 3.18Å; C106-Q109 WeakPolarHBondContact O-CB 3.46Å; C106-Q109 PolarHBondContact O-N 2.93Å; C107-Q109 VanDerWaalsContact C-N 3.25Å; C107-Q109 PolarHBondContact O-N 3.33Å; Q109-R112 WeakPolarHBondContact O-CB 3.49Å; Q109-R112 PolarHBondContact O-N 3.46Å; Q109-C113 PolarHBondContact O-N 3.27Å; Q109-C113 VanDerWaalsContact O-N 3.07Å
110	H	93.5	Very high	90.8	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-47.1	177.8	-178.3	-119.3	0	0	0	111.8	C106 C107 R112 C113 Y114 C124 D125 F128	C106-H110 PolarHBondContact O-N 3.41Å; C107-H110 WeakPolarHBondContact O-CB 3.44Å; C107-H110 PolarHBondContact O-N 3.36Å; H110-R112 VanDerWaalsContact C-N 3.3Å; H110-R112 PolarHBondContact O-N 3.35Å; H110-C113 WeakPolarHBondContact O-CA 3.45Å; H110-C113 VanDerWaalsContact O-CB 3.31Å; H110-C113 WeakPolarHBondContact O-CB 3.31Å; H110-C113 PolarHBondContact O-N 2.85Å; H110-Y114 AromaticContact CE1-CE1 3.73Å; H110-Y114 AromaticContact CE1-CE2 3.51Å; H110-Y114 AromaticContact CE1-CZ 3.25Å; H110-Y114 PolarHBondContact CE1-OH 2.65Å; H110-Y114 AromaticContact NE2-CE1 3.3Å; H110-Y114 VanDerWaalsContact NE2-CE1 3.3Å; H110-Y114 WeakPolarHBondContact NE2-CE1 3.07Å; H110-Y114 AromaticContact NE2-CE2 3.97Å; H110-Y114 AromaticContact NE2-CZ 3.26Å; H110-Y114 VanDerWaalsContact NE2-CZ 3.26Å; H110-Y114 PolarHBondContact NE2-OH 3.49Å; H110-Y114 PolarHBondContact O-N 3.48Å; H110-C124 PolarHBondContact CD2-O 3.49Å; H110-D125 IonicContact CD2-OD1 3.15Å; H110-D125 IonicContact CE1-OD1 3.07Å; H110-D125 IonicContact NE2-OD1 3.55Å; H110-D125 PolarHBondContact NE2-OD1 3.27Å; H110-F128 HydrophobicContact CB-CB 4.13Å; H110-F128 HydrophobicContact CB-CD2 3.75Å; H110-F128 HydrophobicContact CB-CE2 4.37Å; H110-F128 HydrophobicContact CB-CG 4.03Å; H110-F128 AromaticContact CD2-CG 3.95Å; H110-F128 AromaticContact CG-CG 3.95Å
111	D	92.9	Very high	91.7	Very high	47 Å²	47	47.5 Å²	47.5	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-43.3	175.8	-67.8	-33.4	0	0	0	111.4	N85 C107 C113 Y114 E115	N85-D111 PolarHBondContact OD1-OD2 3.25Å; C107-D111 PolarHBondContact O-N 3.05Å; D111-C113 VanDerWaalsContact C-N 3.27Å; D111-C113 PolarHBondContact O-N 3.16Å; D111-Y114 PolarHBondContact O-N 3.07Å; D111-E115 WeakPolarHBondContact O-CB 3.48Å; D111-E115 WeakPolarHBondContact O-CG 3.49Å; D111-E115 PolarHBondContact O-N 3.34Å
112	R	94.8	Very high	92.1	Very high	103 Å²	103	46.9 Å²	46.9	39%	0.389	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-36.8	174.1	-78.3	-66.1	-155.1	-123.6	-0.1	113.1	P81 S82 N108 Q109 H110 E115 T116	P81-R112 VanDerWaalsContact CB-NH1 3.28Å; P81-R112 PolarHBondContact O-NH1 3.18Å; S82-R112 PolarHBondContact O-NH1 3.24Å; N108-R112 WeakPolarHBondContact O-CB 3.45Å; N108-R112 VanDerWaalsContact O-CG 3.23Å; N108-R112 WeakPolarHBondContact O-CG 3.05Å; N108-R112 PolarHBondContact O-N 2.98Å; Q109-R112 WeakPolarHBondContact O-CB 3.49Å; Q109-R112 PolarHBondContact O-N 3.46Å; H110-R112 VanDerWaalsContact C-N 3.3Å; H110-R112 PolarHBondContact O-N 3.35Å; R112-E115 IonicContact NH1-OE2 3.7Å; R112-T116 PolarHBondContact O-N 3.19Å; R112-T116 PolarHBondContact O-OG1 3.03Å
113	C	95.9	Very high	92.6	Very high	10 Å²	10	47.4 Å²	47.4	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-45.7	176.4	-168.9	0	0	0	0	110.8	Q109 H110 D111 E115 T116 C124	Q109-C113 PolarHBondContact O-N 3.27Å; Q109-C113 VanDerWaalsContact O-N 3.07Å; H110-C113 WeakPolarHBondContact O-CA 3.45Å; H110-C113 VanDerWaalsContact O-CB 3.31Å; H110-C113 WeakPolarHBondContact O-CB 3.31Å; H110-C113 PolarHBondContact O-N 2.85Å; D111-C113 VanDerWaalsContact C-N 3.27Å; D111-C113 PolarHBondContact O-N 3.16Å; C113-E115 VanDerWaalsContact C-N 3.31Å; C113-E115 PolarHBondContact O-N 3.01Å; C113-T116 WeakPolarHBondContact O-CB 3.3Å; C113-T116 PolarHBondContact O-N 3.29Å; C113-C124 HydrophobicContact CB-CB 3.67Å; C113-C124 WeakPolarHBondContact CB-SG 3.4Å; C113-C124 WeakPolarHBondContact SG-CA 3.39Å; C113-C124 WeakPolarHBondContact SG-CB 3.05Å; C113-C124 CovalentContact SG-SG 2.03Å; C113-C124 PolarHBondContact SG-SG 3Å
114	Y	94.4	Very high	93.2	Very high	4 Å²	4	47 Å²	47	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-34.8	175.1	-79.9	9.5	0	0	0	113.5	H110 D111 T116 K121 C124 D125 Y171 S174 Q175	H110-Y114 AromaticContact CE1-CE1 3.73Å; H110-Y114 AromaticContact CE1-CE2 3.51Å; H110-Y114 AromaticContact CE1-CZ 3.25Å; H110-Y114 PolarHBondContact CE1-OH 2.65Å; H110-Y114 AromaticContact NE2-CE1 3.3Å; H110-Y114 VanDerWaalsContact NE2-CE1 3.3Å; H110-Y114 WeakPolarHBondContact NE2-CE1 3.07Å; H110-Y114 AromaticContact NE2-CE2 3.97Å; H110-Y114 AromaticContact NE2-CZ 3.26Å; H110-Y114 VanDerWaalsContact NE2-CZ 3.26Å; H110-Y114 PolarHBondContact NE2-OH 3.49Å; H110-Y114 PolarHBondContact O-N 3.48Å; D111-Y114 PolarHBondContact O-N 3.07Å; Y114-T116 PolarHBondContact O-N 3.35Å; Y114-K121 HydrophobicContact CE1-CG 3.91Å; Y114-K121 WeakPolarHBondContact OH-CE 3.41Å; Y114-K121 WeakPolarHBondContact OH-CG 3.39Å; Y114-C124 HydrophobicContact CD1-CB 3.7Å; Y114-C124 HydrophobicContact CE1-CB 3.69Å; Y114-D125 PolarHBondContact OH-OD1 3.04Å; Y114-Y171 AromaticContact CD1-CD2 3.68Å; Y114-Y171 HydrophobicContact CD1-CD2 3.68Å; Y114-Y171 HydrophobicContact CD2-CD2 4.45Å; Y114-Y171 AromaticContact CE1-CD2 3.84Å; Y114-Y171 HydrophobicContact CE1-CD2 3.84Å; Y114-Y171 HydrophobicContact CE1-CG 4.43Å; Y114-Y171 AromaticContact CG-CD2 3.98Å; Y114-Y171 HydrophobicContact CG-CD2 3.98Å; Y114-S174 WeakPolarHBondContact O-CB 3.27Å; Y114-Q175 PolarHBondContact O-OE1 2.79Å
115	E	94.7	Very high	93.5	Very high	20 Å²	20	46 Å²	46	9%	0.093	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-3.9	175.6	-70	-175.4	143.5	0	0	113.3	Y79 P81 S82 D111 R112 C113 A178	Y79-E115 HydrophobicContact CE1-CB 4.24Å; Y79-E115 WeakPolarHBondContact OH-CG 3.44Å; Y79-E115 PolarHBondContact OH-OE1 3.16Å; P81-E115 WeakPolarHBondContact CA-OE2 3.4Å; P81-E115 HydrophobicContact CB-CB 4.22Å; P81-E115 WeakPolarHBondContact CB-OE2 3.49Å; S82-E115 WeakPolarHBondContact CB-OE1 3.35Å; S82-E115 PolarHBondContact N-OE1 3.12Å; S82-E115 PolarHBondContact N-OE2 3.42Å; S82-E115 VanDerWaalsContact N-OE2 3.09Å; S82-E115 PolarHBondContact OG-OE1 3.16Å; D111-E115 WeakPolarHBondContact O-CB 3.48Å; D111-E115 WeakPolarHBondContact O-CG 3.49Å; D111-E115 PolarHBondContact O-N 3.34Å; R112-E115 IonicContact NH1-OE2 3.7Å; C113-E115 VanDerWaalsContact C-N 3.31Å; C113-E115 PolarHBondContact O-N 3.01Å; E115-A178 WeakPolarHBondContact O-CB 3.42Å
116	T	95.9	Very high	93.6	Very high	68 Å²	68	44.1 Å²	44.1	42%	0.417	24%	0.236	S	C	.	.	S	Bend	trans	-85.9	116.3	176.3	-59.9	0	0	0	0	109.9	R112 C113 Y114 G118 K119 Q175	R112-T116 PolarHBondContact O-N 3.19Å; R112-T116 PolarHBondContact O-OG1 3.03Å; C113-T116 WeakPolarHBondContact O-CB 3.3Å; C113-T116 PolarHBondContact O-N 3.29Å; Y114-T116 PolarHBondContact O-N 3.35Å; T116-G118 PolarHBondContact O-N 3.39Å; T116-K119 HydrophobicContact CG2-CG 3.55Å; T116-K119 WeakPolarHBondContact O-CB 3.33Å; T116-K119 PolarHBondContact O-N 3.46Å; T116-K119 VanDerWaalsContact O-N 3.16Å; T116-Q175 PolarHBondContact O-NE2 2.99Å; T116-Q175 VanDerWaalsContact O-NE2 3.16Å; T116-Q175 PolarHBondContact O-OE1 2.9Å
117	C	96.3	Very high	93.7	Very high	25 Å²	25	48.3 Å²	48.3	17%	0.169	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	125.7	-175.6	-179.3	0	0	0	0	113.1	F74 P75 K119 A178 C179	F74-C117 PolarHBondContact O-SG 3.4Å; F74-C117 VanDerWaalsContact O-SG 3.37Å; P75-C117 HydrophobicContact CB-CB 4.2Å; P75-C117 HydrophobicContact CG-CB 4.11Å; C117-K119 VanDerWaalsContact C-N 3.32Å; C117-K119 PolarHBondContact O-N 2.03Å; C117-A178 HydrophobicContact CB-CB 4.37Å; C117-C179 WeakPolarHBondContact CA-SG 3.25Å; C117-C179 HydrophobicContact CB-CB 4.14Å; C117-C179 WeakPolarHBondContact CB-SG 3.4Å; C117-C179 WeakPolarHBondContact SG-CA 3.28Å; C117-C179 WeakPolarHBondContact SG-CB 3.29Å; C117-C179 CovalentContact SG-SG 2.03Å; C117-C179 PolarHBondContact SG-SG 3.14Å
118	G	94.4	Very high	93.9	Very high	51 Å²	51	48.2 Å²	48.2	53%	0.526	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	7.8	176.1	0	0	0	0	0	114.9	T116	T116-G118 PolarHBondContact O-N 3.39Å
119	K	95.7	Very high	93.9	Very high	80 Å²	80	51.4 Å²	51.4	35%	0.348	27%	0.268	S	S	.	.			trans	-69.8	145.4	170	-84.8	-69	-168.6	162.7	0	110.7	T116 C117 Y171 Q175	T116-K119 HydrophobicContact CG2-CG 3.55Å; T116-K119 WeakPolarHBondContact O-CB 3.33Å; T116-K119 PolarHBondContact O-N 3.46Å; T116-K119 VanDerWaalsContact O-N 3.16Å; C117-K119 VanDerWaalsContact C-N 3.32Å; C117-K119 PolarHBondContact O-N 2.03Å; K119-Y171 PolarHBondContact O-OH 2.98Å; K119-Q175 PolarHBondContact O-OE1 3.31Å; K119-Q175 VanDerWaalsContact O-OE1 3.1Å
120	S	93.2	Very high	93.8	Very high	45 Å²	45	53 Å²	53	32%	0.315	27%	0.271	S	S	.	.			trans	-76.5	133.6	176	167.1	0	0	0	0	109.7	N122 D123 C124	S120-N122 PolarHBondContact O-N 2.92Å; S120-N122 PolarHBondContact OG-N 2.9Å; S120-D123 VanDerWaalsContact CB-CG 3.48Å; S120-D123 WeakPolarHBondContact CB-OD1 3.38Å; S120-D123 PolarHBondContact O-N 2.61Å; S120-D123 PolarHBondContact OG-N 3.45Å; S120-D123 PolarHBondContact OG-OD1 3.34Å; S120-C124 PolarHBondContact O-N 2.96Å; S120-C124 VanDerWaalsContact O-N 3.15Å; S120-C124 PolarHBondContact O-SG 3.08Å; S120-C124 VanDerWaalsContact O-SG 3.35Å
121	K	91.1	Very high	93.8	Very high	23 Å²	23	54.2 Å²	54.2	10%	0.1	28%	0.28	C	S	.	.	H	α-helix	trans	-53.5	-44.6	171	-171.9	-176	177.9	-68.1	0	111.2	C63 Y114 D123 C124 D125 I164 Y171	C63-K121 HydrophobicContact CB-CD 3.55Å; Y114-K121 HydrophobicContact CE1-CG 3.91Å; Y114-K121 WeakPolarHBondContact OH-CE 3.41Å; Y114-K121 WeakPolarHBondContact OH-CG 3.39Å; K121-D123 PolarHBondContact O-N 3.04Å; K121-C124 WeakPolarHBondContact O-CB 3.18Å; K121-C124 PolarHBondContact O-N 3.18Å; K121-D125 IonicContact NZ-OD1 3.59Å; K121-D125 IonicContact NZ-OD2 3.72Å; K121-D125 PolarHBondContact NZ-OD2 2.74Å; K121-D125 WeakPolarHBondContact O-CB 3.35Å; K121-D125 PolarHBondContact O-N 3.31Å; K121-I164 PolarHBondContact NZ-O 2.81Å; K121-Y171 HydrophobicContact CB-CD1 4.02Å; K121-Y171 HydrophobicContact CB-CD2 3.74Å; K121-Y171 HydrophobicContact CB-CE1 3.98Å; K121-Y171 HydrophobicContact CB-CE2 3.67Å; K121-Y171 HydrophobicContact CB-CG 3.89Å; K121-Y171 HydrophobicContact CD-CD1 4.21Å; K121-Y171 HydrophobicContact CD-CG 4.11Å; K121-Y171 HydrophobicContact CG-CD1 4.33Å; K121-Y171 HydrophobicContact CG-CD2 4.02Å; K121-Y171 HydrophobicContact CG-CE2 4.45Å; K121-Y171 HydrophobicContact CG-CG 3.93Å; K121-Y171 PolarHBondContact N-OH 2.9Å
122	N	90.5	Very high	93.7	Very high	91 Å²	91	52 Å²	52	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-43.9	-178	-172.7	80.1	0	0	0	111.8	S120 C124 D125 E126	S120-N122 PolarHBondContact O-N 2.92Å; S120-N122 PolarHBondContact OG-N 2.9Å; N122-C124 VanDerWaalsContact C-N 3.32Å; N122-C124 PolarHBondContact O-N 2.73Å; N122-D125 PolarHBondContact O-N 3.35Å; N122-E126 PolarHBondContact ND2-OE1 3.09Å; N122-E126 WeakPolarHBondContact O-CG 2.98Å; N122-E126 PolarHBondContact O-N 3.37Å
123	D	94.2	Very high	93.3	Very high	72 Å²	72	49 Å²	49	39%	0.385	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-42.5	178.7	-58.3	7.6	0	0	0	110.4	S120 K121 E126 E127	S120-D123 VanDerWaalsContact CB-CG 3.48Å; S120-D123 WeakPolarHBondContact CB-OD1 3.38Å; S120-D123 PolarHBondContact O-N 2.61Å; S120-D123 PolarHBondContact OG-N 3.45Å; S120-D123 PolarHBondContact OG-OD1 3.34Å; K121-D123 PolarHBondContact O-N 3.04Å; D123-E126 PolarHBondContact O-N 2.86Å; D123-E127 WeakPolarHBondContact O-CG 3.3Å; D123-E127 PolarHBondContact O-N 2.88Å
124	C	95	Very high	93.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-41	176.3	-64.1	0	0	0	0	112.3	H110 C113 Y114 S120 K121 N122 E127 F128	H110-C124 PolarHBondContact CD2-O 3.49Å; C113-C124 HydrophobicContact CB-CB 3.67Å; C113-C124 WeakPolarHBondContact CB-SG 3.4Å; C113-C124 WeakPolarHBondContact SG-CA 3.39Å; C113-C124 WeakPolarHBondContact SG-CB 3.05Å; C113-C124 CovalentContact SG-SG 2.03Å; C113-C124 PolarHBondContact SG-SG 3Å; Y114-C124 HydrophobicContact CD1-CB 3.7Å; Y114-C124 HydrophobicContact CE1-CB 3.69Å; S120-C124 PolarHBondContact O-N 2.96Å; S120-C124 VanDerWaalsContact O-N 3.15Å; S120-C124 PolarHBondContact O-SG 3.08Å; S120-C124 VanDerWaalsContact O-SG 3.35Å; K121-C124 WeakPolarHBondContact O-CB 3.18Å; K121-C124 PolarHBondContact O-N 3.18Å; N122-C124 VanDerWaalsContact C-N 3.32Å; N122-C124 PolarHBondContact O-N 2.73Å; C124-E127 PolarHBondContact O-N 3.27Å; C124-F128 WeakPolarHBondContact O-CB 3.37Å; C124-F128 PolarHBondContact O-N 2.82Å
125	D	92.3	Very high	92.8	Very high	13 Å²	13	53 Å²	53	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-40.3	179.2	-71	-15.3	0	0	0	112	H110 Y114 K121 N122 F128 Q129 F160 I164	H110-D125 IonicContact CD2-OD1 3.15Å; H110-D125 IonicContact CE1-OD1 3.07Å; H110-D125 IonicContact NE2-OD1 3.55Å; H110-D125 PolarHBondContact NE2-OD1 3.27Å; Y114-D125 PolarHBondContact OH-OD1 3.04Å; K121-D125 IonicContact NZ-OD1 3.59Å; K121-D125 IonicContact NZ-OD2 3.72Å; K121-D125 PolarHBondContact NZ-OD2 2.74Å; K121-D125 WeakPolarHBondContact O-CB 3.35Å; K121-D125 PolarHBondContact O-N 3.31Å; N122-D125 PolarHBondContact O-N 3.35Å; D125-F128 WeakPolarHBondContact O-CB 3.37Å; D125-F128 PolarHBondContact O-N 2.82Å; D125-Q129 PolarHBondContact O-N 2.99Å; D125-F160 WeakPolarHBondContact O-CE2 3.38Å; D125-I164 HydrophobicContact CB-CG2 3.79Å; D125-I164 VanDerWaalsContact CG-CG2 3.45Å
126	E	92.6	Very high	92.4	Very high	111 Å²	111	52.2 Å²	52.2	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-44.5	173.8	-75.4	178	-169.2	0	0	111.6	N122 D123 F128 Q129 Y130	N122-E126 PolarHBondContact ND2-OE1 3.09Å; N122-E126 WeakPolarHBondContact O-CG 2.98Å; N122-E126 PolarHBondContact O-N 3.37Å; D123-E126 PolarHBondContact O-N 2.86Å; E126-F128 VanDerWaalsContact C-N 3.28Å; E126-F128 PolarHBondContact O-N 3.09Å; E126-Q129 PolarHBondContact O-N 2.69Å; E126-Y130 WeakPolarHBondContact O-CB 3.31Å; E126-Y130 PolarHBondContact O-N 3.48Å
127	E	95.2	Very high	91.9	Very high	91 Å²	91	56.2 Å²	56.2	43%	0.425	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-39.4	174.3	-75.4	-178.4	-163.9	0	0	111.5	D123 C124 Y130 C131	D123-E127 WeakPolarHBondContact O-CG 3.3Å; D123-E127 PolarHBondContact O-N 2.88Å; C124-E127 PolarHBondContact O-N 3.27Å; E127-Y130 PolarHBondContact O-N 3.37Å; E127-C131 WeakPolarHBondContact O-CB 3.12Å; E127-C131 PolarHBondContact O-N 3.02Å
128	F	93.3	Very high	91.5	Very high	4 Å²	4	59 Å²	59	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-47	177.1	178.7	-121.8	0	0	0	112.1	C106 H110 C124 D125 E126 Y130 C131 L132 F160 V163	C106-F128 HydrophobicContact CB-CD2 4.06Å; C106-F128 HydrophobicContact CB-CE2 3.88Å; H110-F128 HydrophobicContact CB-CB 4.13Å; H110-F128 HydrophobicContact CB-CD2 3.75Å; H110-F128 HydrophobicContact CB-CE2 4.37Å; H110-F128 HydrophobicContact CB-CG 4.03Å; H110-F128 AromaticContact CD2-CG 3.95Å; H110-F128 AromaticContact CG-CG 3.95Å; C124-F128 WeakPolarHBondContact O-CB 3.37Å; C124-F128 PolarHBondContact O-N 2.82Å; D125-F128 WeakPolarHBondContact O-CB 3.37Å; D125-F128 PolarHBondContact O-N 2.82Å; E126-F128 VanDerWaalsContact C-N 3.28Å; E126-F128 PolarHBondContact O-N 3.09Å; F128-Y130 VanDerWaalsContact C-N 3.27Å; F128-Y130 PolarHBondContact O-N 3.34Å; F128-C131 WeakPolarHBondContact O-CB 3.34Å; F128-C131 PolarHBondContact O-N 2.03Å; F128-C131 VanDerWaalsContact O-N 3.09Å; F128-L132 HydrophobicContact CD1-CD1 4.15Å; F128-L132 HydrophobicContact CD2-CG 4.27Å; F128-L132 HydrophobicContact CE1-CD1 3.6Å; F128-L132 HydrophobicContact CE1-CG 4.34Å; F128-L132 HydrophobicContact CE2-CD1 4.04Å; F128-L132 HydrophobicContact CE2-CD2 3.89Å; F128-L132 HydrophobicContact CE2-CG 3.92Å; F128-L132 HydrophobicContact CZ-CD1 3.56Å; F128-L132 HydrophobicContact CZ-CD2 4.03Å; F128-L132 HydrophobicContact CZ-CG 3.97Å; F128-L132 WeakPolarHBondContact O-CG 3.02Å; F128-L132 PolarHBondContact O-N 3.22Å; F128-F160 AromaticContact CD1-CD2 3.84Å; F128-F160 HydrophobicContact CD1-CD2 3.84Å; F128-F160 HydrophobicContact CD1-CE2 4.28Å; F128-F160 HydrophobicContact CE1-CD2 4.2Å; F128-V163 HydrophobicContact CD1-CG1 4.21Å; F128-V163 HydrophobicContact CE1-CB 3.82Å; F128-V163 HydrophobicContact CE1-CG1 3.66Å; F128-V163 HydrophobicContact CE1-CG2 4.08Å; F128-V163 HydrophobicContact CZ-CB 4.46Å; F128-V163 HydrophobicContact CZ-CG1 4.26Å; F128-V163 HydrophobicContact CZ-CG2 4.25Å
129	Q	91.1	Very high	91	Very high	101 Å²	101	59.1 Å²	59.1	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-55.6	-46.1	175.1	-161.6	-177.5	16.5	0	0	111	D125 E126 C131 L132 S133 F160	D125-Q129 PolarHBondContact O-N 2.99Å; E126-Q129 PolarHBondContact O-N 2.69Å; Q129-C131 VanDerWaalsContact C-N 3.35Å; Q129-C131 PolarHBondContact O-N 3.43Å; Q129-L132 PolarHBondContact O-N 3.37Å; Q129-S133 WeakPolarHBondContact O-CB 3Å; Q129-S133 PolarHBondContact O-N 2.66Å; Q129-F160 HydrophobicContact CB-CD2 3.86Å; Q129-F160 HydrophobicContact CB-CE1 4.25Å; Q129-F160 HydrophobicContact CB-CE2 3.41Å; Q129-F160 VanDerWaalsContact CB-CE2 3.41Å; Q129-F160 HydrophobicContact CB-CG 4.48Å; Q129-F160 HydrophobicContact CB-CZ 3.62Å; Q129-F160 HydrophobicContact CG-CD1 4Å; Q129-F160 HydrophobicContact CG-CD2 3.98Å; Q129-F160 HydrophobicContact CG-CE1 3.75Å; Q129-F160 HydrophobicContact CG-CE2 3.79Å; Q129-F160 HydrophobicContact CG-CG 4.1Å; Q129-F160 HydrophobicContact CG-CZ 3.64Å
130	Y	92.4	Very high	90.4	Very high	145 Å²	145	57.6 Å²	57.6	57%	0.569	28%	0.282	S	S	*	.	H	α-helix	trans	-59.5	-46.7	176.8	180	-98.4	0	0	0	111.3	E126 E127 F128 L132 S133 K134	E126-Y130 WeakPolarHBondContact O-CB 3.31Å; E126-Y130 PolarHBondContact O-N 3.48Å; E127-Y130 PolarHBondContact O-N 3.37Å; F128-Y130 VanDerWaalsContact C-N 3.27Å; F128-Y130 PolarHBondContact O-N 3.34Å; Y130-L132 PolarHBondContact O-N 3.21Å; Y130-S133 PolarHBondContact O-N 2.9Å; Y130-S133 PolarHBondContact O-OG 3.26Å; Y130-K134 HydrophobicContact CE1-CG 4.23Å; Y130-K134 WeakPolarHBondContact O-CG 3.35Å; Y130-K134 PolarHBondContact O-N 3.02Å; Y130-K134 WeakPolarHBondContact OH-CE 3.36Å; Y130-K134 PolarHBondContact OH-NZ 3.39Å
131	C	94.4	Very high	90.1	Very high	34 Å²	34	63.1 Å²	63.1	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-57.5	-47.3	177.5	-169.8	0	0	0	0	112	C106 E127 F128 Q129 K134	C106-C131 WeakPolarHBondContact CA-SG 3.39Å; C106-C131 HydrophobicContact CB-CB 3.78Å; C106-C131 WeakPolarHBondContact CB-SG 3.48Å; C106-C131 WeakPolarHBondContact SG-CB 3.5Å; C106-C131 PolarHBondContact SG-O 3.42Å; C106-C131 CovalentContact SG-SG 2.04Å; C106-C131 PolarHBondContact SG-SG 2.7Å; E127-C131 WeakPolarHBondContact O-CB 3.12Å; E127-C131 PolarHBondContact O-N 3.02Å; F128-C131 WeakPolarHBondContact O-CB 3.34Å; F128-C131 PolarHBondContact O-N 2.03Å; F128-C131 VanDerWaalsContact O-N 3.09Å; Q129-C131 VanDerWaalsContact C-N 3.35Å; Q129-C131 PolarHBondContact O-N 3.43Å; C131-K134 WeakPolarHBondContact O-CB 3.29Å; C131-K134 PolarHBondContact O-N 3.1Å
132	L	90.2	Very high	89.8	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-41.9	178.8	-62.6	178.9	0	0	0	112.3	L103 C106 F128 Q129 Y130 K134 I135 V156 L159 F160	L103-L132 HydrophobicContact CD1-CD2 3.2Å; C106-L132 HydrophobicContact CB-CD2 3.91Å; F128-L132 HydrophobicContact CD1-CD1 4.15Å; F128-L132 HydrophobicContact CD2-CG 4.27Å; F128-L132 HydrophobicContact CE1-CD1 3.6Å; F128-L132 HydrophobicContact CE1-CG 4.34Å; F128-L132 HydrophobicContact CE2-CD1 4.04Å; F128-L132 HydrophobicContact CE2-CD2 3.89Å; F128-L132 HydrophobicContact CE2-CG 3.92Å; F128-L132 HydrophobicContact CZ-CD1 3.56Å; F128-L132 HydrophobicContact CZ-CD2 4.03Å; F128-L132 HydrophobicContact CZ-CG 3.97Å; F128-L132 WeakPolarHBondContact O-CG 3.02Å; F128-L132 PolarHBondContact O-N 3.22Å; Q129-L132 PolarHBondContact O-N 3.37Å; Y130-L132 PolarHBondContact O-N 3.21Å; L132-K134 PolarHBondContact O-N 3.16Å; L132-K134 VanDerWaalsContact O-N 3.17Å; L132-I135 HydrophobicContact CD2-CD1 4.15Å; L132-I135 VanDerWaalsContact O-CB 3.3Å; L132-I135 WeakPolarHBondContact O-CB 3.28Å; L132-I135 PolarHBondContact O-N 3.18Å; L132-V156 HydrophobicContact CB-CB 4.41Å; L132-V156 HydrophobicContact CB-CG1 3.45Å; L132-V156 VanDerWaalsContact CB-CG1 3.45Å; L132-V156 HydrophobicContact CB-CG2 4.22Å; L132-V156 HydrophobicContact CD1-CG1 4.28Å; L132-V156 HydrophobicContact CG-CG1 4.48Å; L132-L159 HydrophobicContact CD1-CD2 4.44Å; L132-L159 HydrophobicContact CD2-CD2 4.24Å; L132-F160 HydrophobicContact CD1-CB 3.92Å; L132-F160 HydrophobicContact CD1-CD2 4.46Å
133	S	87.8	Confident	89.5	Confident	40 Å²	40	69.2 Å²	69.2	28%	0.28	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-28.3	179.3	80.8	0	0	0	0	113	Q129 Y130 I135 R137	Q129-S133 WeakPolarHBondContact O-CB 3Å; Q129-S133 PolarHBondContact O-N 2.66Å; Y130-S133 PolarHBondContact O-N 2.9Å; Y130-S133 PolarHBondContact O-OG 3.26Å; S133-I135 VanDerWaalsContact C-N 3.33Å; S133-R137 WeakPolarHBondContact O-CG 3.16Å; S133-R137 PolarHBondContact O-N 2.85Å
134	K	90.6	Very high	88.9	Confident	78 Å²	78	68.6 Å²	68.6	34%	0.339	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-33	176.5	-69.9	-73.7	-179.5	169.7	0	112.3	Y130 C131 L132 C136 R137 D138	Y130-K134 HydrophobicContact CE1-CG 4.23Å; Y130-K134 WeakPolarHBondContact O-CG 3.35Å; Y130-K134 PolarHBondContact O-N 3.02Å; Y130-K134 WeakPolarHBondContact OH-CE 3.36Å; Y130-K134 PolarHBondContact OH-NZ 3.39Å; C131-K134 WeakPolarHBondContact O-CB 3.29Å; C131-K134 PolarHBondContact O-N 3.1Å; L132-K134 PolarHBondContact O-N 3.16Å; L132-K134 VanDerWaalsContact O-N 3.17Å; K134-C136 VanDerWaalsContact C-N 3.33Å; K134-C136 PolarHBondContact O-N 3.37Å; K134-R137 PolarHBondContact O-N 3.02Å; K134-D138 WeakPolarHBondContact O-CB 3.02Å; K134-D138 VanDerWaalsContact O-CG 3.28Å; K134-D138 PolarHBondContact O-N 3.36Å
135	I	88.4	Confident	88.3	Confident	20 Å²	20	71.7 Å²	71.7	10%	0.103	36%	0.364	C	S	.	.	H	α-helix	trans	-57.7	-49.2	-179.8	-57.8	177.7	0	0	0	109.9	L103 L132 S133 R137 D138 V139	L103-I135 HydrophobicContact CB-CD1 4.3Å; L103-I135 HydrophobicContact CD1-CD1 4.12Å; L132-I135 HydrophobicContact CD2-CD1 4.15Å; L132-I135 VanDerWaalsContact O-CB 3.3Å; L132-I135 WeakPolarHBondContact O-CB 3.28Å; L132-I135 PolarHBondContact O-N 3.18Å; S133-I135 VanDerWaalsContact C-N 3.33Å; I135-R137 PolarHBondContact O-N 2.03Å; I135-D138 PolarHBondContact O-N 3.29Å; I135-V139 WeakPolarHBondContact O-CG2 3.43Å; I135-V139 PolarHBondContact O-N 3.26Å
136	C	85.1	Confident	87.3	Confident	4 Å²	4	77.9 Å²	77.9	3%	0.027	40%	0.402	C	S	.	.	H	α-helix	trans	-65.8	-38.1	-179.5	-61.4	0	0	0	0	112.6	K134 D138 V139 Q140 V149 C152 E153	K134-C136 VanDerWaalsContact C-N 3.33Å; K134-C136 PolarHBondContact O-N 3.37Å; C136-D138 VanDerWaalsContact C-N 3.33Å; C136-D138 PolarHBondContact O-N 2.95Å; C136-V139 PolarHBondContact O-N 3.14Å; C136-Q140 WeakPolarHBondContact O-CB 3.32Å; C136-Q140 PolarHBondContact O-N 3.45Å; C136-V149 HydrophobicContact CB-CG2 3.75Å; C136-V149 WeakPolarHBondContact O-CG2 2.93Å; C136-C152 WeakPolarHBondContact CA-SG 3.09Å; C136-C152 HydrophobicContact CB-CB 3.86Å; C136-C152 WeakPolarHBondContact CB-SG 3.28Å; C136-C152 WeakPolarHBondContact SG-CB 3.44Å; C136-C152 PolarHBondContact SG-O 3.48Å; C136-C152 VanDerWaalsContact SG-O 3.36Å; C136-C152 CovalentContact SG-SG 2.05Å; C136-C152 PolarHBondContact SG-SG 2.9Å; C136-E153 HydrophobicContact CB-CG 4.24Å; C136-E153 PolarHBondContact SG-N 3.25Å
137	R	86.8	Confident	86.4	Confident	151 Å²	151	79.3 Å²	79.3	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-62.9	-40.1	174.1	-66.5	176.2	-175.7	-104	3	112	S133 K134 I135 Q140 K141	S133-R137 WeakPolarHBondContact O-CG 3.16Å; S133-R137 PolarHBondContact O-N 2.85Å; K134-R137 PolarHBondContact O-N 3.02Å; I135-R137 PolarHBondContact O-N 2.03Å; R137-Q140 PolarHBondContact O-N 2.95Å; R137-K141 WeakPolarHBondContact O-CG 3.4Å; R137-K141 PolarHBondContact O-N 3.35Å
138	D	87.2	Confident	85.1	Confident	84 Å²	84	81.3 Å²	81.3	45%	0.449	42%	0.418	S	S	.	.	H	α-helix	trans	-72.2	-37.3	180	-69.1	-16.2	0	0	0	111.4	K134 I135 C136 K141 T142	K134-D138 WeakPolarHBondContact O-CB 3.02Å; K134-D138 VanDerWaalsContact O-CG 3.28Å; K134-D138 PolarHBondContact O-N 3.36Å; I135-D138 PolarHBondContact O-N 3.29Å; C136-D138 VanDerWaalsContact C-N 3.33Å; C136-D138 PolarHBondContact O-N 2.95Å; D138-K141 PolarHBondContact O-N 3.37Å; D138-T142 VanDerWaalsContact O-CB 3.26Å; D138-T142 WeakPolarHBondContact O-CB 3.03Å; D138-T142 PolarHBondContact O-N 3.18Å; D138-T142 PolarHBondContact O-OG1 3.07Å
139	V	83.9	Confident	84.4	Confident	53 Å²	53	82 Å²	82	32%	0.321	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-47.6	171.4	170.4	0	0	0	0	110.8	I135 C136 K141 T142 L143 V149	I135-V139 WeakPolarHBondContact O-CG2 3.43Å; I135-V139 PolarHBondContact O-N 3.26Å; C136-V139 PolarHBondContact O-N 3.14Å; V139-K141 VanDerWaalsContact C-N 3.32Å; V139-K141 PolarHBondContact O-N 3.38Å; V139-T142 PolarHBondContact O-N 3.2Å; V139-L143 HydrophobicContact CG1-CD1 3.78Å; V139-L143 HydrophobicContact CG1-CG 4.45Å; V139-L143 WeakPolarHBondContact O-CB 3.42Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 2.86Å; V139-V149 HydrophobicContact CG1-CG1 4.39Å
140	Q	84	Confident	84	Confident	49 Å²	49	84.1 Å²	84.1	23%	0.229	43%	0.433	C	S	.	.	H	α-helix	trans	-56.3	-47.5	177.9	-174.6	-177.2	-1.5	0	0	111.3	C136 R137 G144 L145 Q147 V149	C136-Q140 WeakPolarHBondContact O-CB 3.32Å; C136-Q140 PolarHBondContact O-N 3.45Å; R137-Q140 PolarHBondContact O-N 2.95Å; Q140-G144 PolarHBondContact O-N 3.01Å; Q140-L145 HydrophobicContact CG-CB 4.12Å; Q140-L145 WeakPolarHBondContact CG-O 2.92Å; Q140-L145 PolarHBondContact NE2-O 3.24Å; Q140-L145 PolarHBondContact O-N 2.69Å; Q140-Q147 PolarHBondContact NE2-O 3.14Å; Q140-V149 HydrophobicContact CB-CG1 4.4Å; Q140-V149 HydrophobicContact CB-CG2 4.26Å
141	K	86.1	Confident	83.4	Confident	161 Å²	161	81 Å²	81	70%	0.7	44%	0.437	S	S	*	.	H	α-helix	trans	-64.9	-45.8	177.6	-74.1	177.2	-179.6	180	0	112.7	R137 D138 V139 L143 G144	R137-K141 WeakPolarHBondContact O-CG 3.4Å; R137-K141 PolarHBondContact O-N 3.35Å; D138-K141 PolarHBondContact O-N 3.37Å; V139-K141 VanDerWaalsContact C-N 3.32Å; V139-K141 PolarHBondContact O-N 3.38Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 3.39Å; K141-G144 PolarHBondContact O-N 3.33Å
142	T	84.8	Confident	82.8	Confident	121 Å²	121	80.8 Å²	80.8	74%	0.742	44%	0.436	S	S	*	.	H	α-helix	trans	-65.7	-36.8	-175.7	-57.5	0	0	0	0	111.7	D138 V139	D138-T142 VanDerWaalsContact O-CB 3.26Å; D138-T142 WeakPolarHBondContact O-CB 3.03Å; D138-T142 PolarHBondContact O-N 3.18Å; D138-T142 PolarHBondContact O-OG1 3.07Å; V139-T142 PolarHBondContact O-N 3.2Å
143	L	83.7	Confident	82.5	Confident	120 Å²	120	84.4 Å²	84.4	63%	0.628	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.6	179.2	-62.5	178.3	0	0	0	113.5	V139 K141 L145	V139-L143 HydrophobicContact CG1-CD1 3.78Å; V139-L143 HydrophobicContact CG1-CG 4.45Å; V139-L143 WeakPolarHBondContact O-CB 3.42Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 2.86Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 3.39Å; L143-L145 HydrophobicContact CB-CD1 3.94Å; L143-L145 HydrophobicContact CB-CG 3.83Å; L143-L145 HydrophobicContact CD1-CD1 4.08Å; L143-L145 PolarHBondContact O-N 2.9Å
144	G	82	Confident	82.3	Confident	59 Å²	59	85.5 Å²	85.5	61%	0.608	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	26.5	-179.1	0	0	0	0	0	113.7	Q140 K141 T146	Q140-G144 PolarHBondContact O-N 3.01Å; K141-G144 PolarHBondContact O-N 3.33Å; G144-T146 PolarHBondContact O-N 3.03Å
145	L	82.5	Confident	81.8	Confident	66 Å²	66	86.2 Å²	86.2	35%	0.346	47%	0.469	S	S	.	.			trans	-75.6	118.8	-177.4	-65.5	169.6	0	0	0	109.6	Q140 L143 Q147 V149	Q140-L145 HydrophobicContact CG-CB 4.12Å; Q140-L145 WeakPolarHBondContact CG-O 2.92Å; Q140-L145 PolarHBondContact NE2-O 3.24Å; Q140-L145 PolarHBondContact O-N 2.69Å; L143-L145 HydrophobicContact CB-CD1 3.94Å; L143-L145 HydrophobicContact CB-CG 3.83Å; L143-L145 HydrophobicContact CD1-CD1 4.08Å; L143-L145 PolarHBondContact O-N 2.9Å; L145-Q147 VanDerWaalsContact C-N 3.29Å; L145-V149 HydrophobicContact CD1-CG1 3.52Å
146	T	70.6	Confident	81.5	Confident	143 Å²	143	86.4 Å²	86.4	88%	0.877	47%	0.47	S	S	*	.	S	Bend	trans	-74.6	-20.2	176.3	38.7	0	0	0	0	113	G144	G144-T146 PolarHBondContact O-N 3.03Å
147	Q	74.1	Confident	81.3	Confident	142 Å²	142	91.7 Å²	91.7	66%	0.664	50%	0.495	S	S	*	.	S	Bend	trans	-102.9	157.1	179.7	65.8	-167.5	17.9	0	0	112.4	Q140 L145	Q140-Q147 PolarHBondContact NE2-O 3.14Å; L145-Q147 VanDerWaalsContact C-N 3.29Å
148	H	68.8	Low	81	Confident	132 Å²	132	89.6 Å²	89.6	61%	0.611	49%	0.494	S	S	*	.			trans	-55.5	140	174.2	-84.7	-91.5	0	0	0	111.4	Q150 E153	H148-Q150 VanDerWaalsContact C-N 3.25Å; H148-Q150 PolarHBondContact O-N 3.3Å; H148-Q150 VanDerWaalsContact O-N 3.1Å; H148-E153 IonicContact CE1-OE1 3.78Å; H148-E153 IonicContact CG-OE1 3.89Å; H148-E153 IonicContact ND1-OE1 2.61Å; H148-E153 PolarHBondContact ND1-OE1 3.46Å; H148-E153 IonicContact ND1-OE2 3.67Å
149	V	79	Confident	80.6	Confident	20 Å²	20	86.8 Å²	86.8	12%	0.121	48%	0.479	C	S	.	.			trans	-86	67.7	173.8	-81.4	0	0	0	0	109.7	C136 V139 Q140 L145 A151 C152 E153	C136-V149 HydrophobicContact CB-CG2 3.75Å; C136-V149 WeakPolarHBondContact O-CG2 2.93Å; V139-V149 HydrophobicContact CG1-CG1 4.39Å; Q140-V149 HydrophobicContact CB-CG1 4.4Å; Q140-V149 HydrophobicContact CB-CG2 4.26Å; L145-V149 HydrophobicContact CD1-CG1 3.52Å; V149-A151 VanDerWaalsContact C-N 3.26Å; V149-A151 PolarHBondContact O-N 3.41Å; V149-C152 HydrophobicContact CB-CB 3.85Å; V149-C152 HydrophobicContact CG2-CB 3.9Å; V149-C152 WeakPolarHBondContact O-CA 3.36Å; V149-C152 VanDerWaalsContact O-CB 3.31Å; V149-C152 WeakPolarHBondContact O-CB 3.36Å; V149-C152 PolarHBondContact O-N 3Å; V149-E153 PolarHBondContact O-N 3.48Å
150	Q	81.9	Confident	80.3	Confident	145 Å²	145	85.4 Å²	85.4	68%	0.678	47%	0.469	S	S	*	.	H	α-helix	trans	-53.5	-41	-173.8	-172.7	167.8	2.9	0	0	112.9	H148 C152 E153 T154	H148-Q150 VanDerWaalsContact C-N 3.25Å; H148-Q150 PolarHBondContact O-N 3.3Å; H148-Q150 VanDerWaalsContact O-N 3.1Å; Q150-C152 VanDerWaalsContact C-N 3.3Å; Q150-C152 PolarHBondContact O-N 2.64Å; Q150-E153 PolarHBondContact O-N 3.32Å; Q150-T154 WeakPolarHBondContact O-CB 3.15Å; Q150-T154 PolarHBondContact O-N 2.88Å; Q150-T154 PolarHBondContact O-OG1 3.48Å; Q150-T154 VanDerWaalsContact O-OG1 3.07Å
151	A	79.9	Confident	80.1	Confident	79 Å²	79	86.2 Å²	86.2	65%	0.653	48%	0.475	S	S	*	.	H	α-helix	trans	-62.5	-35.4	176	0	0	0	0	0	113.2	V149 T155	V149-A151 VanDerWaalsContact C-N 3.26Å; V149-A151 PolarHBondContact O-N 3.41Å; A151-T155 WeakPolarHBondContact O-CB 3.31Å; A151-T155 PolarHBondContact O-N 2.94Å; A151-T155 PolarHBondContact O-OG1 3.18Å
152	C	81.1	Confident	79.7	Confident	30 Å²	30	81.8 Å²	81.8	20%	0.203	46%	0.464	C	S	.	.	H	α-helix	trans	-70.1	-48.1	174.5	-177.2	0	0	0	0	110.6	C136 V149 Q150 T154 T155 V156	C136-C152 WeakPolarHBondContact CA-SG 3.09Å; C136-C152 HydrophobicContact CB-CB 3.86Å; C136-C152 WeakPolarHBondContact CB-SG 3.28Å; C136-C152 WeakPolarHBondContact SG-CB 3.44Å; C136-C152 PolarHBondContact SG-O 3.48Å; C136-C152 VanDerWaalsContact SG-O 3.36Å; C136-C152 CovalentContact SG-SG 2.05Å; C136-C152 PolarHBondContact SG-SG 2.9Å; V149-C152 HydrophobicContact CB-CB 3.85Å; V149-C152 HydrophobicContact CG2-CB 3.9Å; V149-C152 WeakPolarHBondContact O-CA 3.36Å; V149-C152 VanDerWaalsContact O-CB 3.31Å; V149-C152 WeakPolarHBondContact O-CB 3.36Å; V149-C152 PolarHBondContact O-N 3Å; Q150-C152 VanDerWaalsContact C-N 3.3Å; Q150-C152 PolarHBondContact O-N 2.64Å; C152-T154 PolarHBondContact O-N 3.21Å; C152-T155 PolarHBondContact O-N 3.02Å; C152-V156 WeakPolarHBondContact O-CB 3.41Å; C152-V156 PolarHBondContact O-N 2.03Å
153	E	83.6	Confident	79.2	Confident	75 Å²	75	77.8 Å²	77.8	35%	0.35	44%	0.439	S	S	.	.	H	α-helix	trans	-58.8	-48.9	-178.8	-69.3	173	169.6	0	0	110.9	C136 H148 V149 Q150 T155 V156 E157	C136-E153 HydrophobicContact CB-CG 4.24Å; C136-E153 PolarHBondContact SG-N 3.25Å; H148-E153 IonicContact CE1-OE1 3.78Å; H148-E153 IonicContact CG-OE1 3.89Å; H148-E153 IonicContact ND1-OE1 2.61Å; H148-E153 PolarHBondContact ND1-OE1 3.46Å; H148-E153 IonicContact ND1-OE2 3.67Å; V149-E153 PolarHBondContact O-N 3.48Å; Q150-E153 PolarHBondContact O-N 3.32Å; E153-T155 VanDerWaalsContact C-N 3.34Å; E153-T155 PolarHBondContact O-N 3.43Å; E153-V156 PolarHBondContact O-N 3.25Å; E153-E157 WeakPolarHBondContact O-CB 3.19Å; E153-E157 PolarHBondContact O-N 3Å
154	T	83.3	Confident	78.9	Confident	63 Å²	63	73.2 Å²	73.2	39%	0.387	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-39.9	175.7	-58.1	0	0	0	0	112.4	Q150 C152 E157 L158	Q150-T154 WeakPolarHBondContact O-CB 3.15Å; Q150-T154 PolarHBondContact O-N 2.88Å; Q150-T154 PolarHBondContact O-OG1 3.48Å; Q150-T154 VanDerWaalsContact O-OG1 3.07Å; C152-T154 PolarHBondContact O-N 3.21Å; T154-E157 PolarHBondContact O-N 3.29Å; T154-L158 HydrophobicContact CG2-CD1 4.1Å; T154-L158 HydrophobicContact CG2-CG 4.43Å; T154-L158 WeakPolarHBondContact O-CB 3.39Å; T154-L158 VanDerWaalsContact O-CG 3.27Å; T154-L158 WeakPolarHBondContact O-CG 3.44Å; T154-L158 PolarHBondContact O-N 3.34Å
155	T	81.4	Confident	78.6	Confident	94 Å²	94	75.6 Å²	75.6	58%	0.577	41%	0.411	S	S	*	.	H	α-helix	trans	-65.8	-43.2	178.1	-60.5	0	0	0	0	111.6	A151 C152 E153 L159	A151-T155 WeakPolarHBondContact O-CB 3.31Å; A151-T155 PolarHBondContact O-N 2.94Å; A151-T155 PolarHBondContact O-OG1 3.18Å; C152-T155 PolarHBondContact O-N 3.02Å; E153-T155 VanDerWaalsContact C-N 3.34Å; E153-T155 PolarHBondContact O-N 3.43Å; T155-L159 WeakPolarHBondContact O-CB 3.43Å; T155-L159 PolarHBondContact O-N 3.38Å
156	V	81.7	Confident	78.4	Confident	23 Å²	23	75 Å²	75	14%	0.139	41%	0.408	C	S	.	.	H	α-helix	trans	-63.4	-42.5	176.3	152.9	0	0	0	0	111.1	L132 C152 E153 L159 F160	L132-V156 HydrophobicContact CB-CB 4.41Å; L132-V156 HydrophobicContact CB-CG1 3.45Å; L132-V156 VanDerWaalsContact CB-CG1 3.45Å; L132-V156 HydrophobicContact CB-CG2 4.22Å; L132-V156 HydrophobicContact CD1-CG1 4.28Å; L132-V156 HydrophobicContact CG-CG1 4.48Å; C152-V156 WeakPolarHBondContact O-CB 3.41Å; C152-V156 PolarHBondContact O-N 2.03Å; E153-V156 PolarHBondContact O-N 3.25Å; V156-L159 PolarHBondContact O-N 3.12Å; V156-F160 VanDerWaalsContact O-CB 3.26Å; V156-F160 WeakPolarHBondContact O-CB 3.35Å; V156-F160 PolarHBondContact O-N 2.98Å
157	E	81.4	Confident	79	Confident	115 Å²	115	68.3 Å²	68.3	54%	0.537	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-49.4	177.6	-174.2	173.1	-155.3	0	0	111.4	E153 T154 L159 F160 D161	E153-E157 WeakPolarHBondContact O-CB 3.19Å; E153-E157 PolarHBondContact O-N 3Å; T154-E157 PolarHBondContact O-N 3.29Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 2.86Å; E157-F160 WeakPolarHBondContact O-CB 3.21Å; E157-F160 PolarHBondContact O-N 3.02Å; E157-D161 WeakPolarHBondContact O-CB 3.49Å; E157-D161 PolarHBondContact O-N 3.38Å
158	L	80.4	Confident	79.5	Confident	107 Å²	107	61.8 Å²	61.8	56%	0.56	34%	0.337	S	S	*	.	H	α-helix	trans	-59.8	-39.7	176.3	-72.5	172.2	0	0	0	112.7	T154 S162	T154-L158 HydrophobicContact CG2-CD1 4.1Å; T154-L158 HydrophobicContact CG2-CG 4.43Å; T154-L158 WeakPolarHBondContact O-CB 3.39Å; T154-L158 VanDerWaalsContact O-CG 3.27Å; T154-L158 WeakPolarHBondContact O-CG 3.44Å; T154-L158 PolarHBondContact O-N 3.34Å; L158-S162 WeakPolarHBondContact O-CB 3.41Å; L158-S162 PolarHBondContact O-N 2.95Å; L158-S162 PolarHBondContact O-OG 2.89Å
159	L	78.4	Confident	80.2	Confident	26 Å²	26	59 Å²	59	14%	0.136	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-47.1	175.7	179.3	69.4	0	0	0	111.3	L103 L132 T155 V156 E157 S162 V163	L103-L159 HydrophobicContact CD1-CD2 3.13Å; L103-L159 HydrophobicContact CD2-CD2 3.66Å; L103-L159 HydrophobicContact CG-CD2 3.84Å; L132-L159 HydrophobicContact CD1-CD2 4.44Å; L132-L159 HydrophobicContact CD2-CD2 4.24Å; T155-L159 WeakPolarHBondContact O-CB 3.43Å; T155-L159 PolarHBondContact O-N 3.38Å; V156-L159 PolarHBondContact O-N 3.12Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 2.86Å; L159-S162 PolarHBondContact O-N 3.39Å; L159-V163 HydrophobicContact CD1-CG2 4.3Å; L159-V163 HydrophobicContact CG-CG2 4.48Å; L159-V163 WeakPolarHBondContact O-CG2 2.92Å; L159-V163 PolarHBondContact O-N 2.98Å
160	F	78.2	Confident	80.6	Confident	24 Å²	24	60 Å²	60	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-55.5	-53.4	177.4	175.6	-113.9	0	0	0	110.3	D125 F128 Q129 L132 V156 E157 S162 V163 I164	D125-F160 WeakPolarHBondContact O-CE2 3.38Å; F128-F160 AromaticContact CD1-CD2 3.84Å; F128-F160 HydrophobicContact CD1-CD2 3.84Å; F128-F160 HydrophobicContact CD1-CE2 4.28Å; F128-F160 HydrophobicContact CE1-CD2 4.2Å; Q129-F160 HydrophobicContact CB-CD2 3.86Å; Q129-F160 HydrophobicContact CB-CE1 4.25Å; Q129-F160 HydrophobicContact CB-CE2 3.41Å; Q129-F160 VanDerWaalsContact CB-CE2 3.41Å; Q129-F160 HydrophobicContact CB-CG 4.48Å; Q129-F160 HydrophobicContact CB-CZ 3.62Å; Q129-F160 HydrophobicContact CG-CD1 4Å; Q129-F160 HydrophobicContact CG-CD2 3.98Å; Q129-F160 HydrophobicContact CG-CE1 3.75Å; Q129-F160 HydrophobicContact CG-CE2 3.79Å; Q129-F160 HydrophobicContact CG-CG 4.1Å; Q129-F160 HydrophobicContact CG-CZ 3.64Å; L132-F160 HydrophobicContact CD1-CB 3.92Å; L132-F160 HydrophobicContact CD1-CD2 4.46Å; V156-F160 VanDerWaalsContact O-CB 3.26Å; V156-F160 WeakPolarHBondContact O-CB 3.35Å; V156-F160 PolarHBondContact O-N 2.98Å; E157-F160 WeakPolarHBondContact O-CB 3.21Å; E157-F160 PolarHBondContact O-N 3.02Å; F160-S162 VanDerWaalsContact C-N 3.29Å; F160-S162 PolarHBondContact O-N 3.24Å; F160-V163 PolarHBondContact O-N 2.93Å; F160-V163 VanDerWaalsContact O-N 3.08Å; F160-I164 HydrophobicContact CD1-CD1 3.28Å; F160-I164 HydrophobicContact CD2-CD1 3.89Å; F160-I164 HydrophobicContact CD2-CG2 3.99Å; F160-I164 HydrophobicContact CE1-CD1 3.03Å; F160-I164 HydrophobicContact CE2-CD1 3.64Å; F160-I164 HydrophobicContact CE2-CG2 3.5Å; F160-I164 HydrophobicContact CG-CD1 3.71Å; F160-I164 HydrophobicContact CZ-CD1 3.23Å; F160-I164 HydrophobicContact CZ-CG2 3.92Å; F160-I164 VanDerWaalsContact O-CD1 3.29Å; F160-I164 WeakPolarHBondContact O-CD1 2.99Å; F160-I164 WeakPolarHBondContact O-CG1 3.49Å; F160-I164 PolarHBondContact O-N 3.34Å
161	D	78.8	Confident	81	Confident	65 Å²	65	53.6 Å²	53.6	35%	0.348	30%	0.299	S	S	.	.	H	α-helix	trans	-56.1	-43.4	178.5	-78.9	-5.7	0	0	0	111.8	E157 V163 H165	E157-D161 WeakPolarHBondContact O-CB 3.49Å; E157-D161 PolarHBondContact O-N 3.38Å; D161-V163 PolarHBondContact O-N 3.13Å; D161-H165 WeakPolarHBondContact O-CB 3.34Å; D161-H165 PolarHBondContact O-N 3.29Å; D161-H165 PolarHBondContact O-ND1 2.75Å
162	S	77.3	Confident	81.5	Confident	68 Å²	68	52.1 Å²	52.1	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-45	177	-59.1	0	0	0	0	112.1	L158 L159 F160 L166	L158-S162 WeakPolarHBondContact O-CB 3.41Å; L158-S162 PolarHBondContact O-N 2.95Å; L158-S162 PolarHBondContact O-OG 2.89Å; L159-S162 PolarHBondContact O-N 3.39Å; F160-S162 VanDerWaalsContact C-N 3.29Å; F160-S162 PolarHBondContact O-N 3.24Å; S162-L166 WeakPolarHBondContact O-CB 3.12Å; S162-L166 WeakPolarHBondContact O-CG 3.38Å; S162-L166 PolarHBondContact O-N 2.92Å
163	V	75.4	Confident	82	Confident	37 Å²	37	53.2 Å²	53.2	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-70.1	-42.8	-176.1	170.3	0	0	0	0	112	F128 L159 F160 D161 G167	F128-V163 HydrophobicContact CD1-CG1 4.21Å; F128-V163 HydrophobicContact CE1-CB 3.82Å; F128-V163 HydrophobicContact CE1-CG1 3.66Å; F128-V163 HydrophobicContact CE1-CG2 4.08Å; F128-V163 HydrophobicContact CZ-CB 4.46Å; F128-V163 HydrophobicContact CZ-CG1 4.26Å; F128-V163 HydrophobicContact CZ-CG2 4.25Å; L159-V163 HydrophobicContact CD1-CG2 4.3Å; L159-V163 HydrophobicContact CG-CG2 4.48Å; L159-V163 WeakPolarHBondContact O-CG2 2.92Å; L159-V163 PolarHBondContact O-N 2.98Å; F160-V163 PolarHBondContact O-N 2.93Å; F160-V163 VanDerWaalsContact O-N 3.08Å; D161-V163 PolarHBondContact O-N 3.13Å; V163-G167 WeakPolarHBondContact O-CA 3.38Å; V163-G167 PolarHBondContact O-N 3.25Å
164	I	76.7	Confident	82.4	Confident	25 Å²	25	50.8 Å²	50.8	13%	0.128	28%	0.275	C	S	.	.	H	α-helix	trans	-75	-38.8	-176.6	58.2	-151.9	0	0	0	113.2	K121 D125 F160 G167	K121-I164 PolarHBondContact NZ-O 2.81Å; D125-I164 HydrophobicContact CB-CG2 3.79Å; D125-I164 VanDerWaalsContact CG-CG2 3.45Å; F160-I164 HydrophobicContact CD1-CD1 3.28Å; F160-I164 HydrophobicContact CD2-CD1 3.89Å; F160-I164 HydrophobicContact CD2-CG2 3.99Å; F160-I164 HydrophobicContact CE1-CD1 3.03Å; F160-I164 HydrophobicContact CE2-CD1 3.64Å; F160-I164 HydrophobicContact CE2-CG2 3.5Å; F160-I164 HydrophobicContact CG-CD1 3.71Å; F160-I164 HydrophobicContact CZ-CD1 3.23Å; F160-I164 HydrophobicContact CZ-CG2 3.92Å; F160-I164 VanDerWaalsContact O-CD1 3.29Å; F160-I164 WeakPolarHBondContact O-CD1 2.99Å; F160-I164 WeakPolarHBondContact O-CG1 3.49Å; F160-I164 PolarHBondContact O-N 3.34Å; I164-G167 PolarHBondContact O-N 3.21Å
165	H	76.3	Confident	82.9	Confident	109 Å²	109	47.8 Å²	47.8	51%	0.505	26%	0.257	S	S	.	.	H	α-helix	trans	-69.6	-34.8	178.6	-72.3	86.5	0	0	0	111.9	L56 D161 G167	L56-H165 CarbonylContact C-O 3.55Å; D161-H165 WeakPolarHBondContact O-CB 3.34Å; D161-H165 PolarHBondContact O-N 3.29Å; D161-H165 PolarHBondContact O-ND1 2.75Å; H165-G167 VanDerWaalsContact C-N 3.33Å
166	L	78.4	Confident	83.5	Confident	54 Å²	54	50.1 Å²	50.1	28%	0.283	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	3.4	175.8	-57	173.7	0	0	0	112.7	L55 L56 F92 S162 C168 P170	L55-L166 HydrophobicContact CD2-CD2 4.31Å; L55-L166 HydrophobicContact CG-CD2 3.94Å; L56-L166 HydrophobicContact CD2-CD2 3.86Å; F92-L166 HydrophobicContact CE2-CB 4.33Å; F92-L166 HydrophobicContact CE2-CD1 4.39Å; F92-L166 HydrophobicContact CZ-CB 4.35Å; F92-L166 HydrophobicContact CZ-CD1 4.16Å; F92-L166 HydrophobicContact CZ-CD2 4.39Å; S162-L166 WeakPolarHBondContact O-CB 3.12Å; S162-L166 WeakPolarHBondContact O-CG 3.38Å; S162-L166 PolarHBondContact O-N 2.92Å; L166-C168 PolarHBondContact O-N 2.93Å; L166-P170 WeakPolarHBondContact O-CD 3.46Å
167	G	82	Confident	84	Confident	2 Å²	2	51.1 Å²	51.1	2%	0.021	27%	0.266	C	S	.	.			trans	-82.1	-9.9	-169.3	0	0	0	0	0	115	V163 I164 H165 P170 Y171	V163-G167 WeakPolarHBondContact O-CA 3.38Å; V163-G167 PolarHBondContact O-N 3.25Å; I164-G167 PolarHBondContact O-N 3.21Å; H165-G167 VanDerWaalsContact C-N 3.33Å; G167-P170 WeakPolarHBondContact O-CD 3.36Å; G167-P170 WeakPolarHBondContact O-CG 3Å; G167-Y171 WeakPolarHBondContact O-CB 3.5Å; G167-Y171 PolarHBondContact O-N 2.83Å
168	C	85.3	Confident	84.7	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-53.2	-172.7	-160.1	0	0	0	0	112.8	C63 L166 Y171 L172	C63-C168 HydrophobicContact CB-CB 4.08Å; C63-C168 WeakPolarHBondContact CB-SG 3.33Å; C63-C168 WeakPolarHBondContact SG-CB 3.3Å; C63-C168 CovalentContact SG-SG 2.03Å; C63-C168 PolarHBondContact SG-SG 3.39Å; L166-C168 PolarHBondContact O-N 2.93Å; C168-Y171 PolarHBondContact O-N 2.81Å; C168-L172 WeakPolarHBondContact O-CG 3.45Å; C168-L172 PolarHBondContact O-N 3.19Å
169	K	84.5	Confident	85.4	Confident	74 Å²	74	40.6 Å²	40.6	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-59.6	-53	177.8	176.1	163.1	172.5	53.6	0	112.9	L91 Y171 L172 D173	L91-K169 HydrophobicContact CD1-CD 4.27Å; L91-K169 VanDerWaalsContact CD1-CE 3.5Å; L91-K169 HydrophobicContact CD2-CD 3.67Å; L91-K169 HydrophobicContact CD2-CG 4.22Å; K169-Y171 VanDerWaalsContact C-N 3.28Å; K169-Y171 PolarHBondContact O-N 3.39Å; K169-L172 PolarHBondContact O-N 3.26Å; K169-D173 WeakPolarHBondContact CG-OD2 3.39Å; K169-D173 IonicContact NZ-OD1 3.83Å; K169-D173 IonicContact NZ-OD2 2.76Å; K169-D173 PolarHBondContact NZ-OD2 3.15Å; K169-D173 WeakPolarHBondContact O-CB 3.21Å; K169-D173 PolarHBondContact O-N 3.06Å
170	P	86.9	Confident	86.1	Confident	40 Å²	40	44.8 Å²	44.8	26%	0.26	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-34.6	178.8	22.6	-32.5	0	0	0	112.6	L166 G167 S174	L166-P170 WeakPolarHBondContact O-CD 3.46Å; G167-P170 WeakPolarHBondContact O-CD 3.36Å; G167-P170 WeakPolarHBondContact O-CG 3Å; P170-S174 VanDerWaalsContact O-CB 3.28Å; P170-S174 WeakPolarHBondContact O-CB 3.39Å; P170-S174 PolarHBondContact O-N 3.07Å; P170-S174 PolarHBondContact O-OG 3.34Å
171	Y	90.9	Very high	86.7	Confident	11 Å²	11	44.2 Å²	44.2	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-54.5	171.5	168.2	-100.8	0	0	0	111.6	C63 Y114 K119 K121 G167 C168 K169 D173 S174 Q175	C63-Y171 HydrophobicContact CB-CD1 4.48Å; C63-Y171 WeakPolarHBondContact O-CD1 3.23Å; C63-Y171 WeakPolarHBondContact O-CE1 3.3Å; Y114-Y171 AromaticContact CD1-CD2 3.68Å; Y114-Y171 HydrophobicContact CD1-CD2 3.68Å; Y114-Y171 HydrophobicContact CD2-CD2 4.45Å; Y114-Y171 AromaticContact CE1-CD2 3.84Å; Y114-Y171 HydrophobicContact CE1-CD2 3.84Å; Y114-Y171 HydrophobicContact CE1-CG 4.43Å; Y114-Y171 AromaticContact CG-CD2 3.98Å; Y114-Y171 HydrophobicContact CG-CD2 3.98Å; K119-Y171 PolarHBondContact O-OH 2.98Å; K121-Y171 HydrophobicContact CB-CD1 4.02Å; K121-Y171 HydrophobicContact CB-CD2 3.74Å; K121-Y171 HydrophobicContact CB-CE1 3.98Å; K121-Y171 HydrophobicContact CB-CE2 3.67Å; K121-Y171 HydrophobicContact CB-CG 3.89Å; K121-Y171 HydrophobicContact CD-CD1 4.21Å; K121-Y171 HydrophobicContact CD-CG 4.11Å; K121-Y171 HydrophobicContact CG-CD1 4.33Å; K121-Y171 HydrophobicContact CG-CD2 4.02Å; K121-Y171 HydrophobicContact CG-CE2 4.45Å; K121-Y171 HydrophobicContact CG-CG 3.93Å; K121-Y171 PolarHBondContact N-OH 2.9Å; G167-Y171 WeakPolarHBondContact O-CB 3.5Å; G167-Y171 PolarHBondContact O-N 2.83Å; C168-Y171 PolarHBondContact O-N 2.81Å; K169-Y171 VanDerWaalsContact C-N 3.28Å; K169-Y171 PolarHBondContact O-N 3.39Å; Y171-D173 VanDerWaalsContact C-N 3.32Å; Y171-D173 PolarHBondContact O-N 2.91Å; Y171-S174 PolarHBondContact O-N 2.85Å; Y171-Q175 HydrophobicContact CD1-CG 4.49Å; Y171-Q175 HydrophobicContact CD2-CG 4.09Å; Y171-Q175 HydrophobicContact CE1-CG 4.09Å; Y171-Q175 HydrophobicContact CE2-CG 3.69Å; Y171-Q175 VanDerWaalsContact CE2-OE1 3.28Å; Y171-Q175 HydrophobicContact CG-CG 4.5Å; Y171-Q175 WeakPolarHBondContact O-CG 3.41Å; Y171-Q175 PolarHBondContact O-N 3.48Å
172	L	90.2	Very high	86.9	Confident	48 Å²	48	47.2 Å²	47.2	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-38	-178	-69.9	175	0	0	0	112.3	Y65 C168 K169 Q175 R176	Y65-L172 HydrophobicContact CD2-CD2 4.48Å; C168-L172 WeakPolarHBondContact O-CG 3.45Å; C168-L172 PolarHBondContact O-N 3.19Å; K169-L172 PolarHBondContact O-N 3.26Å; L172-Q175 PolarHBondContact O-N 2.77Å; L172-R176 WeakPolarHBondContact O-CB 3.29Å; L172-R176 PolarHBondContact O-N 2.71Å
173	D	90	Very high	86.9	Confident	54 Å²	54	52.8 Å²	52.8	29%	0.289	25%	0.251	S	S	.	.	H	α-helix	trans	-67.3	-41.4	176.7	-71.7	-21.8	0	0	0	111.1	K169 Y171 R176 A177	K169-D173 WeakPolarHBondContact CG-OD2 3.39Å; K169-D173 IonicContact NZ-OD1 3.83Å; K169-D173 IonicContact NZ-OD2 2.76Å; K169-D173 PolarHBondContact NZ-OD2 3.15Å; K169-D173 WeakPolarHBondContact O-CB 3.21Å; K169-D173 PolarHBondContact O-N 3.06Å; Y171-D173 VanDerWaalsContact C-N 3.32Å; Y171-D173 PolarHBondContact O-N 2.91Å; D173-R176 PolarHBondContact O-N 2.96Å; D173-R176 IonicContact OD1-CZ 2.81Å; D173-R176 IonicContact OD1-NH1 3.98Å; D173-R176 PolarHBondContact OD1-NH1 2.88Å; D173-R176 IonicContact OD1-NH2 3.85Å; D173-A177 PolarHBondContact O-N 3.21Å
174	S	92.9	Very high	86.4	Confident	24 Å²	24	54.5 Å²	54.5	17%	0.168	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-43.9	174	-58.7	0	0	0	0	111.5	Y114 P170 Y171 R176 A177 A178	Y114-S174 WeakPolarHBondContact O-CB 3.27Å; P170-S174 VanDerWaalsContact O-CB 3.28Å; P170-S174 WeakPolarHBondContact O-CB 3.39Å; P170-S174 PolarHBondContact O-N 3.07Å; P170-S174 PolarHBondContact O-OG 3.34Å; Y171-S174 PolarHBondContact O-N 2.85Å; S174-R176 PolarHBondContact O-N 3.44Å; S174-A177 PolarHBondContact O-N 2.75Å; S174-A178 VanDerWaalsContact O-CB 3.3Å; S174-A178 WeakPolarHBondContact O-CB 3.28Å; S174-A178 PolarHBondContact O-N 3.2Å
175	Q	94.9	Very high	85.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-39.9	176.5	-65.6	-63.4	175.1	0	0	112	Y65 Y114 T116 K119 Y171 L172 A177 A178 C179	Y65-Q175 HydrophobicContact CD1-CB 3.82Å; Y65-Q175 HydrophobicContact CD2-CB 3.64Å; Y65-Q175 HydrophobicContact CE1-CB 4.35Å; Y65-Q175 HydrophobicContact CE2-CB 4.21Å; Y65-Q175 HydrophobicContact CG-CB 3.42Å; Y65-Q175 VanDerWaalsContact CG-CB 3.42Å; Y65-Q175 HydrophobicContact CG-CG 4.15Å; Y114-Q175 PolarHBondContact O-OE1 2.79Å; T116-Q175 PolarHBondContact O-NE2 2.99Å; T116-Q175 VanDerWaalsContact O-NE2 3.16Å; T116-Q175 PolarHBondContact O-OE1 2.9Å; K119-Q175 PolarHBondContact O-OE1 3.31Å; K119-Q175 VanDerWaalsContact O-OE1 3.1Å; Y171-Q175 HydrophobicContact CD1-CG 4.49Å; Y171-Q175 HydrophobicContact CD2-CG 4.09Å; Y171-Q175 HydrophobicContact CE1-CG 4.09Å; Y171-Q175 HydrophobicContact CE2-CG 3.69Å; Y171-Q175 VanDerWaalsContact CE2-OE1 3.28Å; Y171-Q175 HydrophobicContact CG-CG 4.5Å; Y171-Q175 WeakPolarHBondContact O-CG 3.41Å; Y171-Q175 PolarHBondContact O-N 3.48Å; L172-Q175 PolarHBondContact O-N 2.77Å; Q175-A177 VanDerWaalsContact C-N 3.3Å; Q175-A177 PolarHBondContact O-N 2.76Å; Q175-A178 PolarHBondContact O-N 3.33Å; Q175-C179 WeakPolarHBondContact O-CB 3.37Å; Q175-C179 PolarHBondContact O-N 2.99Å; Q175-C179 PolarHBondContact O-SG 3.48Å
176	R	92.2	Very high	84.2	Confident	142 Å²	142	65.1 Å²	65.1	54%	0.536	30%	0.303	S	S	.	.	H	α-helix	trans	-63.2	-36.5	175.7	-168.2	-175.2	-61.3	121.9	4.2	112.1	Y65 L172 D173 S174	Y65-R176 HydrophobicContact CE2-CB 4.13Å; L172-R176 WeakPolarHBondContact O-CB 3.29Å; L172-R176 PolarHBondContact O-N 2.71Å; D173-R176 PolarHBondContact O-N 2.96Å; D173-R176 IonicContact OD1-CZ 2.81Å; D173-R176 IonicContact OD1-NH1 3.98Å; D173-R176 PolarHBondContact OD1-NH1 2.88Å; D173-R176 IonicContact OD1-NH2 3.85Å; S174-R176 PolarHBondContact O-N 3.44Å
177	A	93.4	Very high	82.7	Confident	44 Å²	44	69 Å²	69	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-72.2	-43.6	176.7	0	0	0	0	0	112.2	R76 Y79 D173 S174 Q175	R76-A177 WeakPolarHBondContact CD-O 3.48Å; R76-A177 PolarHBondContact NE-O 2.97Å; Y79-A177 WeakPolarHBondContact CD2-O 3.4Å; Y79-A177 HydrophobicContact CE2-CB 3.94Å; D173-A177 PolarHBondContact O-N 3.21Å; S174-A177 PolarHBondContact O-N 2.75Å; Q175-A177 VanDerWaalsContact C-N 3.3Å; Q175-A177 PolarHBondContact O-N 2.76Å
178	A	95.3	Very high	80.8	Confident	2 Å²	2	75 Å²	75	2%	0.017	36%	0.361	C	S	.	.	H	α-helix	trans	-81.7	-24.4	-174.3	0	0	0	0	0	114.4	R76 Y79 E115 C117 S174 Q175	R76-A178 VanDerWaalsContact CB-O 3.31Å; R76-A178 WeakPolarHBondContact CB-O 3.5Å; R76-A178 PolarHBondContact N-O 3.05Å; Y79-A178 HydrophobicContact CD1-CB 3.92Å; Y79-A178 HydrophobicContact CE1-CB 3.57Å; Y79-A178 HydrophobicContact CE2-CB 4.48Å; Y79-A178 HydrophobicContact CG-CB 4.49Å; E115-A178 WeakPolarHBondContact O-CB 3.42Å; C117-A178 HydrophobicContact CB-CB 4.37Å; S174-A178 VanDerWaalsContact O-CB 3.3Å; S174-A178 WeakPolarHBondContact O-CB 3.28Å; S174-A178 PolarHBondContact O-N 3.2Å; Q175-A178 PolarHBondContact O-N 3.33Å
179	C	94.8	Very high	78.4	Confident	0 Å²	0	86.6 Å²	86.6	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	163	-177.3	-64.3	0	0	0	0	113.4	Y65 P73 F74 R76 C117 Q175	Y65-C179 HydrophobicContact CD1-CB 4.42Å; Y65-C179 HydrophobicContact CE1-CB 3.53Å; P73-C179 HydrophobicContact CB-CB 4.01Å; F74-C179 CarbonylContact O-C 3.54Å; F74-C179 WeakPolarHBondContact O-CA 3.38Å; R76-C179 PolarHBondContact NE-O 2.79Å; R76-C179 PolarHBondContact NH2-O 3.01Å; C117-C179 WeakPolarHBondContact CA-SG 3.25Å; C117-C179 HydrophobicContact CB-CB 4.14Å; C117-C179 WeakPolarHBondContact CB-SG 3.4Å; C117-C179 WeakPolarHBondContact SG-CA 3.28Å; C117-C179 WeakPolarHBondContact SG-CB 3.29Å; C117-C179 CovalentContact SG-SG 2.03Å; C117-C179 PolarHBondContact SG-SG 3.14Å; Q175-C179 WeakPolarHBondContact O-CB 3.37Å; Q175-C179 PolarHBondContact O-N 2.99Å; Q175-C179 PolarHBondContact O-SG 3.48Å
180	R	93.3	Very high	78.1	Confident	113 Å²	113	87.3 Å²	87.3	43%	0.426	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.2	159.8	-85.7	-156.2	163.1	154.9	4.5	111.1	P73 F74 R76 E184	P73-R180 WeakPolarHBondContact CA-O 3.39Å; F74-R180 WeakPolarHBondContact CD1-O 3.03Å; F74-R180 HydrophobicContact CD2-CB 4.31Å; F74-R180 HydrophobicContact CE1-CB 4.27Å; F74-R180 HydrophobicContact CE2-CB 3.71Å; F74-R180 HydrophobicContact CZ-CB 3.68Å; F74-R180 PolarHBondContact N-O 2.92Å; F74-R180 PolarHBondContact O-N 3.01Å; R76-R180 HydrophobicContact CB-CG 4.18Å; R76-R180 HydrophobicContact CG-CG 4.12Å; R180-E184 WeakPolarHBondContact CA-OE1 3.42Å; R180-E184 WeakPolarHBondContact CD-OE2 3.48Å; R180-E184 IonicContact NE-OE2 3.97Å; R180-E184 PolarHBondContact NE-OE2 3.26Å; R180-E184 VanDerWaalsContact NE-OE2 3.15Å
181	C	91.3	Very high	77.6	Confident	13 Å²	13	89.7 Å²	89.7	9%	0.088	44%	0.435	C	S	.	.			trans	-104.8	153.2	169.3	-58.5	0	0	0	0	110	C67 Y183 E184	C67-C181 WeakPolarHBondContact CA-SG 3.08Å; C67-C181 HydrophobicContact CB-CB 3.58Å; C67-C181 WeakPolarHBondContact CB-SG 3.25Å; C67-C181 VanDerWaalsContact SG-CA 3.53Å; C67-C181 WeakPolarHBondContact SG-CB 3.46Å; C67-C181 CovalentContact SG-SG 2.03Å; C67-C181 PolarHBondContact SG-SG 3.03Å; C181-Y183 VanDerWaalsContact C-N 3.33Å; C181-Y183 PolarHBondContact O-N 3.45Å; C181-E184 HydrophobicContact CB-CG 4Å; C181-E184 PolarHBondContact O-N 2.82Å
182	H	82.6	Confident	76.9	Confident	127 Å²	127	94.1 Å²	94.1	59%	0.588	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-41.5	-173.4	-95	-84.7	0	0	0	112.7	S71 F74	S71-H182 PolarHBondContact OG-N 3.17Å; F74-H182 AromaticContact CE1-CD2 3.79Å
183	Y	77.6	Confident	76.1	Confident	185 Å²	185	96.8 Å²	96.8	73%	0.725	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	50.6	179.8	-53.2	-78.4	0	0	0	110.2	D69 C181 E185	D69-Y183 HydrophobicContact CB-CD2 4.31Å; D69-Y183 WeakPolarHBondContact OD2-CD2 3.48Å; D69-Y183 PolarHBondContact OD2-N 3.37Å; C181-Y183 VanDerWaalsContact C-N 3.33Å; C181-Y183 PolarHBondContact O-N 3.45Å; Y183-E185 PolarHBondContact O-N 3.06Å
184	E	65.6	Low	75.2	Confident	73 Å²	73	99.5 Å²	99.5	34%	0.341	48%	0.48	S	S	.	.			trans	-53.6	105.6	165.6	-80.6	-175	168.9	0	0	107.6	R76 R180 C181 K186	R76-E184 IonicContact NH2-OE1 2.88Å; R76-E184 PolarHBondContact NH2-OE1 3.17Å; R76-E184 IonicContact NH2-OE2 2.77Å; R180-E184 WeakPolarHBondContact CA-OE1 3.42Å; R180-E184 WeakPolarHBondContact CD-OE2 3.48Å; R180-E184 IonicContact NE-OE2 3.97Å; R180-E184 PolarHBondContact NE-OE2 3.26Å; R180-E184 VanDerWaalsContact NE-OE2 3.15Å; C181-E184 HydrophobicContact CB-CG 4Å; C181-E184 PolarHBondContact O-N 2.82Å; E184-K186 PolarHBondContact O-N 2.87Å
185	E	56	Low	74.1	Confident	175 Å²	175	104.5 Å²	104.5	82%	0.818	50%	0.501	S	S	*	.			trans	-51.9	116.1	166.1	-105.2	-177	168.4	0	0	105.8	Y183 T187	Y183-E185 PolarHBondContact O-N 3.06Å; E185-T187 PolarHBondContact O-N 2.88Å
186	K	50.3	Low	72.6	Confident	182 Å²	182	112 Å²	112	79%	0.791	54%	0.536	S	S	*	.			trans	-61.8	92.6	169.3	-74.2	-177.9	176.7	-178.7	0	106.7	E184 D188	E184-K186 PolarHBondContact O-N 2.87Å; K186-D188 PolarHBondContact O-N 3.25Å
187	T	47.6	Very low	71.1	Confident	135 Å²	135	109.7 Å²	109.7	83%	0.828	54%	0.537	S	S	*	.			trans	-73.4	63.1	160.6	24.8	0	0	0	0	108.3	E185	E185-T187 PolarHBondContact O-N 2.88Å
188	D	42.3	Very low	69.2	Low	129 Å²	129	115.2 Å²	115.2	69%	0.69	55%	0.551	S	S	*	*			trans	-93.7	89.1	157.7	-70.5	-39.1	0	0	0	105.8	K186	K186-D188 PolarHBondContact O-N 3.25Å
189	L	33.9	Very low	66.8	Low	248 Å²	248	125.5 Å²	125.5	100%	1.298	60%	0.599	S	S	*	*			trans	-151.2	0	157.5	-127.9	109.7	0	0	0	111

Retrieved 189 of 189 residues in 263.1 ms (Link to these results)

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