A0A096NV17_PAPAN Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB , UniProt , Accession A0A096NV17, Species PAPAN (Papio anubis, Olive baboon), Gene DEFB116, Length 102 aa.

						>A0A096NV17_PAPAN|A0A096NV17|DEFB116
MSVMKPCLMTIAILMILAQKTPGGLFRSHNGKSREPWNPCELYQGICRNTCREYEIQYLTCPNDQKCCLKLSVKITSSKNVKENYDSNSNLSVANSSSYSHI
					

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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	47.9	Very low	66.6	Low	240 Å²	240	116.8 Å²	116.8	100%	1.182	63%	0.63	S	S	*	*				0	121.7	0	-126.2	135.5	92.1	0	0	108	V3	M1-V3 PolarHBondContact O-N 3.36Å
2	S	52.8	Low	67.7	Low	81 Å²	81	111.1 Å²	111.1	57%	0.566	61%	0.61	S	S	*	*			trans	-68.9	112.6	-169.2	-180	0	0	0	0	112.2	M4	S2-M4 PolarHBondContact O-N 2.04Å
3	V	55.9	Low	68.7	Low	112 Å²	112	109.9 Å²	109.9	68%	0.679	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-10.4	179.5	-170.3	0	0	0	0	112.3	M1 K5 P6	M1-V3 PolarHBondContact O-N 3.36Å; V3-K5 VanDerWaalsContact C-N 3.31Å; V3-K5 PolarHBondContact O-N 3.48Å; V3-P6 WeakPolarHBondContact O-CD 3.05Å; V3-P6 VanDerWaalsContact O-CG 3.3Å; V3-P6 WeakPolarHBondContact O-CG 3.47Å
4	M	60.1	Low	69.4	Low	134 Å²	134	110.2 Å²	110.2	66%	0.66	60%	0.601	S	S	*	*	H	α-helix	trans	-66.7	-33.2	177.9	-159.3	80.2	100.7	0	0	112.4	S2 L8	S2-M4 PolarHBondContact O-N 2.04Å; M4-L8 HydrophobicContact CG-CD1 4.11Å; M4-L8 WeakPolarHBondContact O-CG 3.46Å; M4-L8 PolarHBondContact O-N 2.87Å
5	K	57.8	Low	69.7	Low	157 Å²	157	110.5 Å²	110.5	68%	0.683	60%	0.599	S	S	*	*	H	α-helix	trans	-66.9	-45.9	-176.1	-71.7	-177.5	173.8	-172.9	0	113.9	V3 M9	V3-K5 VanDerWaalsContact C-N 3.31Å; V3-K5 PolarHBondContact O-N 3.48Å; K5-M9 VanDerWaalsContact O-CG 3.29Å; K5-M9 WeakPolarHBondContact O-CG 3.19Å; K5-M9 PolarHBondContact O-N 2.89Å
6	P	66.1	Low	70.1	Confident	74 Å²	74	110.6 Å²	110.6	48%	0.481	60%	0.597	S	S	.	*	H	α-helix	trans	-66.6	-41.4	178.4	22.1	-32.6	0	0	0	112.6	V3 L8 M9 T10	V3-P6 WeakPolarHBondContact O-CD 3.05Å; V3-P6 VanDerWaalsContact O-CG 3.3Å; V3-P6 WeakPolarHBondContact O-CG 3.47Å; P6-L8 VanDerWaalsContact C-N 3.35Å; P6-L8 PolarHBondContact O-N 2.92Å; P6-M9 WeakPolarHBondContact O-CB 3.02Å; P6-M9 PolarHBondContact O-N 2.97Å; P6-M9 VanDerWaalsContact O-N 3.16Å; P6-T10 PolarHBondContact O-N 2.88Å; P6-T10 PolarHBondContact O-OG1 2.84Å
7	C	74.6	Confident	69.9	Low	72 Å²	72	110.2 Å²	110.2	49%	0.486	59%	0.594	S	S	.	*	H	α-helix	trans	-60.1	-42.7	179.9	-80.8	0	0	0	0	113.1	M9 T10 I11	C7-M9 VanDerWaalsContact C-N 3.31Å; C7-M9 PolarHBondContact O-N 3.22Å; C7-T10 PolarHBondContact O-N 2.9Å; C7-T10 PolarHBondContact O-OG1 2.9Å; C7-I11 VanDerWaalsContact O-CG1 3.29Å; C7-I11 WeakPolarHBondContact O-CG1 3.15Å; C7-I11 PolarHBondContact O-N 3Å
8	L	75.8	Confident	69.5	Low	106 Å²	106	107.6 Å²	107.6	56%	0.555	59%	0.59	S	S	*	*	H	α-helix	trans	-65.7	-36.4	178.4	-67	173.7	0	0	0	111.7	M4 P6 A12	M4-L8 HydrophobicContact CG-CD1 4.11Å; M4-L8 WeakPolarHBondContact O-CG 3.46Å; M4-L8 PolarHBondContact O-N 2.87Å; P6-L8 VanDerWaalsContact C-N 3.35Å; P6-L8 PolarHBondContact O-N 2.92Å; L8-A12 WeakPolarHBondContact O-CB 3.49Å; L8-A12 PolarHBondContact O-N 3.19Å
9	M	78.9	Confident	69.2	Low	133 Å²	133	110.5 Å²	110.5	66%	0.655	60%	0.599	S	S	*	*	H	α-helix	trans	-63.9	-44.3	173.7	-69.1	-79.1	-175.1	0	0	111.3	K5 P6 C7 I11 A12 I13	K5-M9 VanDerWaalsContact O-CG 3.29Å; K5-M9 WeakPolarHBondContact O-CG 3.19Å; K5-M9 PolarHBondContact O-N 2.89Å; P6-M9 WeakPolarHBondContact O-CB 3.02Å; P6-M9 PolarHBondContact O-N 2.97Å; P6-M9 VanDerWaalsContact O-N 3.16Å; C7-M9 VanDerWaalsContact C-N 3.31Å; C7-M9 PolarHBondContact O-N 3.22Å; M9-I11 PolarHBondContact O-N 2.76Å; M9-A12 PolarHBondContact O-N 2.78Å; M9-I13 WeakPolarHBondContact O-CD1 3.4Å; M9-I13 VanDerWaalsContact O-CG1 3.24Å; M9-I13 WeakPolarHBondContact O-CG1 3.44Å; M9-I13 PolarHBondContact O-N 3.42Å
10	T	80.2	Confident	68.6	Low	78 Å²	78	114 Å²	114	48%	0.479	61%	0.608	S	S	.	*	H	α-helix	trans	-63.5	-42.7	178.2	-10.1	0	0	0	0	111.9	P6 C7 I13 L14	P6-T10 PolarHBondContact O-N 2.88Å; P6-T10 PolarHBondContact O-OG1 2.84Å; C7-T10 PolarHBondContact O-N 2.9Å; C7-T10 PolarHBondContact O-OG1 2.9Å; T10-I13 PolarHBondContact O-N 2.9Å; T10-L14 VanDerWaalsContact O-CG 3.3Å; T10-L14 WeakPolarHBondContact O-CG 3.48Å; T10-L14 PolarHBondContact O-N 2.01Å
11	I	81.9	Confident	68.2	Low	98 Å²	98	113.4 Å²	113.4	50%	0.503	61%	0.609	S	S	.	*	H	α-helix	trans	-62.4	-44.4	177.1	-66.2	164.2	0	0	0	110.4	C7 M9 I13 L14 M15	C7-I11 VanDerWaalsContact O-CG1 3.29Å; C7-I11 WeakPolarHBondContact O-CG1 3.15Å; C7-I11 PolarHBondContact O-N 3Å; M9-I11 PolarHBondContact O-N 2.76Å; I11-I13 VanDerWaalsContact C-N 3.34Å; I11-I13 PolarHBondContact O-N 2.76Å; I11-L14 PolarHBondContact O-N 3.01Å; I11-M15 HydrophobicContact CG2-CG 4.32Å; I11-M15 VanDerWaalsContact O-CG 3.23Å; I11-M15 WeakPolarHBondContact O-CG 3.43Å; I11-M15 PolarHBondContact O-N 2.87Å
12	A	80.8	Confident	68.5	Low	48 Å²	48	107.4 Å²	107.4	40%	0.397	59%	0.588	S	S	.	*	H	α-helix	trans	-60.3	-43.5	177.3	0	0	0	0	0	112.1	L8 M9 M15 I16	L8-A12 WeakPolarHBondContact O-CB 3.49Å; L8-A12 PolarHBondContact O-N 3.19Å; M9-A12 PolarHBondContact O-N 2.78Å; A12-M15 PolarHBondContact O-N 3.47Å; A12-I16 WeakPolarHBondContact O-CD1 3.44Å; A12-I16 VanDerWaalsContact O-CG1 3.22Å; A12-I16 WeakPolarHBondContact O-CG1 3.12Å; A12-I16 PolarHBondContact O-N 2.78Å
13	I	80.6	Confident	68.8	Low	96 Å²	96	106.8 Å²	106.8	49%	0.492	59%	0.594	S	S	.	*	H	α-helix	trans	-62.1	-46.7	176.9	-66.8	163.3	0	0	0	110.7	M9 T10 I11 M15 I16 L17	M9-I13 WeakPolarHBondContact O-CD1 3.4Å; M9-I13 VanDerWaalsContact O-CG1 3.24Å; M9-I13 WeakPolarHBondContact O-CG1 3.44Å; M9-I13 PolarHBondContact O-N 3.42Å; T10-I13 PolarHBondContact O-N 2.9Å; I11-I13 VanDerWaalsContact C-N 3.34Å; I11-I13 PolarHBondContact O-N 2.76Å; I13-M15 VanDerWaalsContact C-N 3.32Å; I13-M15 PolarHBondContact O-N 2.96Å; I13-I16 PolarHBondContact O-N 2.78Å; I13-L17 HydrophobicContact CG2-CD1 3.68Å; I13-L17 WeakPolarHBondContact O-CD1 3.49Å; I13-L17 PolarHBondContact O-N 3.01Å
14	L	78.6	Confident	68.7	Low	114 Å²	114	104.4 Å²	104.4	60%	0.597	59%	0.592	S	S	*	*	H	α-helix	trans	-60.4	-41	177.8	-70.7	171.7	0	0	0	112.1	T10 I11 L17 A18	T10-L14 VanDerWaalsContact O-CG 3.3Å; T10-L14 WeakPolarHBondContact O-CG 3.48Å; T10-L14 PolarHBondContact O-N 2.01Å; I11-L14 PolarHBondContact O-N 3.01Å; L14-L17 PolarHBondContact O-N 3.02Å; L14-A18 WeakPolarHBondContact O-CB 2.99Å; L14-A18 PolarHBondContact O-N 2.02Å
15	M	74	Confident	68.5	Low	115 Å²	115	105.9 Å²	105.9	57%	0.567	60%	0.602	S	S	*	*	H	α-helix	trans	-65.9	-39.8	177.3	-69.2	-67.8	-75.6	0	0	112	I11 A12 I13 A18 Q19	I11-M15 HydrophobicContact CG2-CG 4.32Å; I11-M15 VanDerWaalsContact O-CG 3.23Å; I11-M15 WeakPolarHBondContact O-CG 3.43Å; I11-M15 PolarHBondContact O-N 2.87Å; A12-M15 PolarHBondContact O-N 3.47Å; I13-M15 VanDerWaalsContact C-N 3.32Å; I13-M15 PolarHBondContact O-N 2.96Å; M15-A18 PolarHBondContact O-N 3.17Å; M15-Q19 WeakPolarHBondContact O-CG 3.39Å; M15-Q19 PolarHBondContact O-N 3.19Å
16	I	74.9	Confident	68.4	Low	111 Å²	111	107.5 Å²	107.5	57%	0.569	61%	0.61	S	S	*	*	H	α-helix	trans	-66	-42.3	176.3	-66	162.4	0	0	0	110.8	A12 I13 Q19 K20	A12-I16 WeakPolarHBondContact O-CD1 3.44Å; A12-I16 VanDerWaalsContact O-CG1 3.22Å; A12-I16 WeakPolarHBondContact O-CG1 3.12Å; A12-I16 PolarHBondContact O-N 2.78Å; I13-I16 PolarHBondContact O-N 2.78Å; I16-Q19 PolarHBondContact O-N 3.23Å; I16-K20 PolarHBondContact O-N 3.14Å
17	L	67.8	Low	67.6	Low	105 Å²	105	114.9 Å²	114.9	55%	0.55	63%	0.628	S	S	.	*	H	α-helix	trans	-64.5	-41.5	175.1	-90.4	83.6	0	0	0	111.8	I13 L14 Q19 K20 T21	I13-L17 HydrophobicContact CG2-CD1 3.68Å; I13-L17 WeakPolarHBondContact O-CD1 3.49Å; I13-L17 PolarHBondContact O-N 3.01Å; L14-L17 PolarHBondContact O-N 3.02Å; L17-Q19 VanDerWaalsContact C-N 3.34Å; L17-Q19 PolarHBondContact O-N 3.23Å; L17-K20 PolarHBondContact O-N 3.33Å; L17-T21 PolarHBondContact O-N 2.84Å; L17-T21 PolarHBondContact O-OG1 3.43Å
18	A	63.2	Low	66.8	Low	62 Å²	62	115 Å²	115	51%	0.512	63%	0.63	S	S	.	*	H	α-helix	trans	-62	-40.8	176.8	0	0	0	0	0	111.9	L14 M15 T21	L14-A18 WeakPolarHBondContact O-CB 2.99Å; L14-A18 PolarHBondContact O-N 2.02Å; M15-A18 PolarHBondContact O-N 3.17Å; A18-T21 PolarHBondContact O-N 3.15Å
19	Q	62.6	Low	65.7	Low	164 Å²	164	116.3 Å²	116.3	77%	0.766	63%	0.632	S	S	*	*	H	α-helix	trans	-71.1	-28.7	176.7	-72.1	-163.2	-19.3	0	0	113.6	M15 I16 L17 T21	M15-Q19 WeakPolarHBondContact O-CG 3.39Å; M15-Q19 PolarHBondContact O-N 3.19Å; I16-Q19 PolarHBondContact O-N 3.23Å; L17-Q19 VanDerWaalsContact C-N 3.34Å; L17-Q19 PolarHBondContact O-N 3.23Å; Q19-T21 VanDerWaalsContact C-N 3.3Å
20	K	58.4	Low	64.6	Low	179 Å²	179	117.3 Å²	117.3	78%	0.778	64%	0.641	S	S	*	*	H	α-helix	trans	-83.3	-6.4	177.8	-154.9	164	-174.8	79.4	0	113.7	I16 L17 P22	I16-K20 PolarHBondContact O-N 3.14Å; L17-K20 PolarHBondContact O-N 3.33Å; K20-P22 WeakPolarHBondContact O-CD 3.43Å
21	T	58.9	Low	63.4	Low	102 Å²	102	116.5 Å²	116.5	63%	0.626	65%	0.647	S	S	*	*	S	Bend	trans	-100.1	90.4	170.3	-32.1	0	0	0	0	107.2	L17 A18 Q19 G23	L17-T21 PolarHBondContact O-N 2.84Å; L17-T21 PolarHBondContact O-OG1 3.43Å; A18-T21 PolarHBondContact O-N 3.15Å; Q19-T21 VanDerWaalsContact C-N 3.3Å; T21-G23 PolarHBondContact O-N 3.03Å
22	P	54.3	Low	62.1	Low	115 Å²	115	120 Å²	120	75%	0.747	66%	0.659	S	S	*	*			trans	-63.3	99.7	-177.5	25.7	-32.7	0	0	0	109.2	K20 G24	K20-P22 WeakPolarHBondContact O-CD 3.43Å; P22-G24 PolarHBondContact O-N 3.33Å
23	G	59.6	Low	60.8	Low	67 Å²	67	121.5 Å²	121.5	69%	0.691	67%	0.667	S	S	*	*	S	Bend	trans	40.8	33.3	151.1	0	0	0	0	0	118.6	T21 L25	T21-G23 PolarHBondContact O-N 3.03Å; G23-L25 VanDerWaalsContact C-N 3.27Å; G23-L25 PolarHBondContact O-N 3.22Å
24	G	53.7	Low	59.7	Low	63 Å²	63	129 Å²	129	65%	0.649	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-78.7	-5.4	-175.7	0	0	0	0	0	115	P22 F26	P22-G24 PolarHBondContact O-N 3.33Å; G24-F26 VanDerWaalsContact C-N 3.3Å; G24-F26 PolarHBondContact O-N 3.09Å
25	L	56.7	Low	58.8	Low	165 Å²	165	130 Å²	130	86%	0.864	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-78.4	-12.3	-178.3	-95.7	161.7	0	0	0	113.9	G23	G23-L25 VanDerWaalsContact C-N 3.27Å; G23-L25 PolarHBondContact O-N 3.22Å
26	F	54.5	Low	58.2	Low	191 Å²	191	129.8 Å²	129.8	84%	0.838	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-116.2	63.9	171	-62.5	-77.4	0	0	0	109.9	G24 S28	G24-F26 VanDerWaalsContact C-N 3.3Å; G24-F26 PolarHBondContact O-N 3.09Å; F26-S28 PolarHBondContact O-N 3.15Å
27	R	48.7	Very low	57.4	Low	229 Å²	229	133.1 Å²	133.1	86%	0.864	70%	0.703	S	S	*	*			trans	-67.6	83.3	153.7	-167.6	178.7	-139	-175.3	5.8	106.7	H29	R27-H29 PolarHBondContact O-N 3.07Å
28	S	58.3	Low	57.2	Low	75 Å²	75	129.4 Å²	129.4	52%	0.524	68%	0.683	S	S	.	*			trans	-54.7	110.3	162.4	174.8	0	0	0	0	105.9	F26 N30	F26-S28 PolarHBondContact O-N 3.15Å; S28-N30 PolarHBondContact O-N 3.36Å; S28-N30 PolarHBondContact OG-ND2 3.16Å; S28-N30 PolarHBondContact OG-OD1 3.43Å; S28-N30 VanDerWaalsContact OG-OD1 3.1Å
29	H	53.8	Low	57.4	Low	132 Å²	132	128 Å²	128	61%	0.611	67%	0.669	S	S	*	*			trans	-72.7	58	173.1	-170	-69.7	0	0	0	108.2	R27 G31	R27-H29 PolarHBondContact O-N 3.07Å; H29-G31 PolarHBondContact O-N 2.99Å
30	N	54.8	Low	57.9	Low	155 Å²	155	120.2 Å²	120.2	83%	0.829	63%	0.633	S	S	*	*			trans	-76.1	41.6	167.9	-81.2	-7.8	0	0	0	110.1	S28	S28-N30 PolarHBondContact O-N 3.36Å; S28-N30 PolarHBondContact OG-ND2 3.16Å; S28-N30 PolarHBondContact OG-OD1 3.43Å; S28-N30 VanDerWaalsContact OG-OD1 3.1Å
31	G	54.8	Low	58.5	Low	60 Å²	60	118.4 Å²	118.4	62%	0.619	63%	0.627	S	S	*	*			trans	-117.7	9.2	-172.5	0	0	0	0	0	114.2	H29	H29-G31 PolarHBondContact O-N 2.99Å
32	K	54.8	Low	59.1	Low	173 Å²	173	118.5 Å²	118.5	75%	0.752	62%	0.623	S	S	*	*	S	Bend	trans	-147.4	91.4	175.4	-76	-174.8	-173.3	171.8	0	112.1
33	S	54.9	Low	59.9	Low	79 Å²	79	118.9 Å²	118.9	55%	0.552	61%	0.611	S	S	*	*				166.4	122.7	128.9	170.8	0	0	0	0	106.4	E35	S33-E35 PolarHBondContact O-N 2.6Å; S33-E35 WeakPolarHBondContact OG-CA 2.94Å; S33-E35 WeakPolarHBondContact OG-CB 3.36Å; S33-E35 PolarHBondContact OG-N 3.28Å; S33-E35 PolarHBondContact OG-OE2 3.1Å
34	R	56.3	Low	60.6	Low	253 Å²	253	123.2 Å²	123.2	96%	0.955	61%	0.613	S	S	*	*			trans	-78.5	2.8	168.9	-73	-179.7	174.5	-177.1	-2.1	110.3
35	E	59.9	Low	61.8	Low	136 Å²	136	120.7 Å²	120.7	64%	0.636	59%	0.587	S	S	*	*	S	Bend	trans	-74.7	137.7	172.7	-72.3	62.8	-147.8	0	0	110	S33 W37	S33-E35 PolarHBondContact O-N 2.6Å; S33-E35 WeakPolarHBondContact OG-CA 2.94Å; S33-E35 WeakPolarHBondContact OG-CB 3.36Å; S33-E35 PolarHBondContact OG-N 3.28Å; S33-E35 PolarHBondContact OG-OE2 3.1Å; E35-W37 PolarHBondContact O-N 2.9Å; E35-W37 VanDerWaalsContact O-N 3.09Å
36	P	60.7	Low	63	Low	109 Å²	109	117 Å²	117	71%	0.708	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-57.9	119.1	174	17.7	-23.7	0	0	0	109.1	N38	P36-N38 PolarHBondContact O-N 2.78Å; P36-N38 VanDerWaalsContact O-N 3.15Å
37	W	59.3	Low	64.3	Low	182 Å²	182	109.5 Å²	109.5	69%	0.689	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-54.8	119.4	177.2	-179.2	78.7	0	0	0	109.8	E35 P39 L42	E35-W37 PolarHBondContact O-N 2.9Å; E35-W37 VanDerWaalsContact O-N 3.09Å; W37-P39 HydrophobicContact CE3-CB 4.31Å; W37-P39 HydrophobicContact CH2-CB 4.04Å; W37-P39 HydrophobicContact CZ3-CB 3.67Å; W37-P39 HydrophobicContact CZ3-CG 4.48Å; W37-P39 VanDerWaalsContact O-CD 3.3Å; W37-P39 WeakPolarHBondContact O-CD 3.45Å; W37-L42 HydrophobicContact CH2-CD2 4.13Å; W37-L42 HydrophobicContact CZ2-CB 4.12Å; W37-L42 HydrophobicContact CZ2-CD1 4.34Å; W37-L42 HydrophobicContact CZ2-CD2 3.92Å; W37-L42 HydrophobicContact CZ2-CG 4.35Å
38	N	63.4	Low	65.8	Low	26 Å²	26	102.3 Å²	102.3	14%	0.139	51%	0.511	C	S	.	.			trans	-91.1	110.3	179.5	-174.1	-0.9	0	0	0	109.6	P36 C40 E41 C47	P36-N38 PolarHBondContact O-N 2.78Å; P36-N38 VanDerWaalsContact O-N 3.15Å; N38-C40 PolarHBondContact O-N 2.93Å; N38-C40 WeakPolarHBondContact OD1-CB 3.45Å; N38-C40 PolarHBondContact OD1-N 2.78Å; N38-E41 HydrophobicContact CB-CG 4.14Å; N38-E41 PolarHBondContact O-N 2.85Å; N38-E41 VanDerWaalsContact O-N 3.07Å; N38-C47 PolarHBondContact ND2-SG 3.41Å
39	P	66.3	Low	67	Low	33 Å²	33	104.3 Å²	104.3	21%	0.214	52%	0.516	C	S	.	.	H	α-helix	trans	-59.5	-19	177.4	24	-33.9	0	0	0	112.9	W37 Y43 L59	W37-P39 HydrophobicContact CE3-CB 4.31Å; W37-P39 HydrophobicContact CH2-CB 4.04Å; W37-P39 HydrophobicContact CZ3-CB 3.67Å; W37-P39 HydrophobicContact CZ3-CG 4.48Å; W37-P39 VanDerWaalsContact O-CD 3.3Å; W37-P39 WeakPolarHBondContact O-CD 3.45Å; P39-Y43 WeakPolarHBondContact O-CD2 3.37Å; P39-L59 HydrophobicContact CB-CD2 3.82Å; P39-L59 HydrophobicContact CG-CD2 3.26Å
40	C	74.5	Confident	68.4	Low	0 Å²	0	103 Å²	103	0%	0	52%	0.517	C	S	.	.	H	α-helix	trans	-70.6	-36.2	177.1	-157	0	0	0	0	112.9	N38 L42 Y43 G45 C67	N38-C40 PolarHBondContact O-N 2.93Å; N38-C40 WeakPolarHBondContact OD1-CB 3.45Å; N38-C40 PolarHBondContact OD1-N 2.78Å; C40-L42 VanDerWaalsContact C-N 3.3Å; C40-L42 PolarHBondContact O-N 2.75Å; C40-Y43 PolarHBondContact O-N 3.36Å; C40-G45 VanDerWaalsContact O-CA 3.3Å; C40-G45 WeakPolarHBondContact O-CA 3.36Å; C40-G45 PolarHBondContact O-N 3.39Å; C40-G45 VanDerWaalsContact SG-C 3.56Å; C40-C67 WeakPolarHBondContact CA-SG 3.46Å; C40-C67 HydrophobicContact CB-CB 3.77Å; C40-C67 WeakPolarHBondContact CB-SG 3.24Å; C40-C67 WeakPolarHBondContact SG-CA 3.3Å; C40-C67 WeakPolarHBondContact SG-CB 3.14Å; C40-C67 CovalentContact SG-SG 2.01Å; C40-C67 PolarHBondContact SG-SG 3.42Å
41	E	69.3	Low	69.8	Low	142 Å²	142	97.4 Å²	97.4	66%	0.664	49%	0.489	S	S	*	.	H	α-helix	trans	-69.2	-29.9	-179.8	-71	-178.3	177.3	0	0	112.2	N38 Y43 Q44	N38-E41 HydrophobicContact CB-CG 4.14Å; N38-E41 PolarHBondContact O-N 2.85Å; N38-E41 VanDerWaalsContact O-N 3.07Å; E41-Y43 PolarHBondContact O-N 3.47Å; E41-Q44 PolarHBondContact O-N 3Å
42	L	72.1	Confident	71.1	Confident	104 Å²	104	102 Å²	102	55%	0.545	49%	0.488	S	S	.	.	H	α-helix	trans	-57.2	-36.3	177.1	-173.5	71.3	0	0	0	111.8	W37 C40	W37-L42 HydrophobicContact CH2-CD2 4.13Å; W37-L42 HydrophobicContact CZ2-CB 4.12Å; W37-L42 HydrophobicContact CZ2-CD1 4.34Å; W37-L42 HydrophobicContact CZ2-CD2 3.92Å; W37-L42 HydrophobicContact CZ2-CG 4.35Å; C40-L42 VanDerWaalsContact C-N 3.3Å; C40-L42 PolarHBondContact O-N 2.75Å
43	Y	71.3	Confident	72.2	Confident	123 Å²	123	102 Å²	102	48%	0.482	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	17.7	-179	-63.7	-73.3	0	0	0	112.8	P39 C40 E41 G45 Y58	P39-Y43 WeakPolarHBondContact O-CD2 3.37Å; C40-Y43 PolarHBondContact O-N 3.36Å; E41-Y43 PolarHBondContact O-N 3.47Å; Y43-G45 PolarHBondContact O-N 3.46Å; Y43-G45 VanDerWaalsContact O-N 3.15Å; Y43-Y58 HydrophobicContact CD2-CD1 4.41Å; Y43-Y58 HydrophobicContact CD2-CE1 4.07Å; Y43-Y58 AromaticContact CE2-CE1 3.82Å; Y43-Y58 HydrophobicContact CE2-CE1 3.82Å
44	Q	73.6	Confident	73.4	Confident	157 Å²	157	104.7 Å²	104.7	73%	0.734	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	29.7	-174.6	-56.8	179.6	-16.7	0	0	112.7	E41	E41-Q44 PolarHBondContact O-N 3Å
45	G	79.1	Confident	74.7	Confident	10 Å²	10	94.1 Å²	94.1	10%	0.103	45%	0.451	C	S	.	.			trans	-80.2	158.9	176.2	0	0	0	0	0	112.9	C40 Y43 C68 L69	C40-G45 VanDerWaalsContact O-CA 3.3Å; C40-G45 WeakPolarHBondContact O-CA 3.36Å; C40-G45 PolarHBondContact O-N 3.39Å; C40-G45 VanDerWaalsContact SG-C 3.56Å; Y43-G45 PolarHBondContact O-N 3.46Å; Y43-G45 VanDerWaalsContact O-N 3.15Å; G45-C68 WeakPolarHBondContact CA-O 3.29Å; G45-L69 VanDerWaalsContact CA-CD2 3.43Å
46	I	81.9	Confident	75.7	Confident	88 Å²	88	91.2 Å²	91.2	45%	0.451	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.3	175	-56.2	174.6	0	0	0	108.5	R48 C68	I46-R48 HydrophobicContact CG2-CG 4.01Å; I46-R48 PolarHBondContact O-N 2.9Å; I46-C68 PolarHBondContact N-O 3.19Å; I46-C68 WeakPolarHBondContact O-CB 3.49Å; I46-C68 PolarHBondContact O-N 3.26Å
47	C	81.7	Confident	76.8	Confident	33 Å²	33	90.9 Å²	90.9	22%	0.223	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.7	171.4	-60.6	0	0	0	0	110.3	N38 C61 Q65 K66	N38-C47 PolarHBondContact ND2-SG 3.41Å; C47-C61 VanDerWaalsContact CA-SG 3.55Å; C47-C61 HydrophobicContact CB-CB 3.62Å; C47-C61 WeakPolarHBondContact CB-SG 2.97Å; C47-C61 WeakPolarHBondContact SG-CB 3.33Å; C47-C61 CovalentContact SG-SG 2.02Å; C47-C61 PolarHBondContact SG-SG 3.16Å; C47-Q65 HydrophobicContact CB-CB 4.38Å; C47-K66 WeakPolarHBondContact CA-O 3.29Å
48	R	81.3	Confident	77.5	Confident	79 Å²	79	88 Å²	88	30%	0.298	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.3	177.5	-61.1	-177.5	176.1	-131.8	-2.8	109.6	I46 T50 K66	I46-R48 HydrophobicContact CG2-CG 4.01Å; I46-R48 PolarHBondContact O-N 2.9Å; R48-T50 PolarHBondContact O-N 3Å; R48-K66 PolarHBondContact N-O 3.38Å; R48-K66 CarbonylContact O-C 3.48Å; R48-K66 WeakPolarHBondContact O-CA 3.03Å; R48-K66 WeakPolarHBondContact O-CB 3.11Å; R48-K66 PolarHBondContact O-N 3.35Å
49	N	83.6	Confident	78.2	Confident	117 Å²	117	90.3 Å²	90.3	63%	0.626	43%	0.43	S	S	*	.	S	Bend	trans	-63.9	-32.7	173.8	-68.2	62.3	0	0	0	112.4	K66	N49-K66 WeakPolarHBondContact O-CD 3.21Å
50	T	83.1	Confident	78.7	Confident	105 Å²	105	92.9 Å²	92.9	64%	0.644	45%	0.445	S	S	*	.	S	Bend	trans	-140.8	135.9	178.8	51.8	0	0	0	0	110.1	R48	R48-T50 PolarHBondContact O-N 3Å
51	C	83.6	Confident	78.9	Confident	36 Å²	36	93.1 Å²	93.1	24%	0.243	45%	0.447	C	S	.	.			trans	-80.2	150.9	176.2	-56.4	0	0	0	0	111.7	E55 C68	C51-E55 HydrophobicContact CB-CB 3.95Å; C51-C68 WeakPolarHBondContact CA-SG 3.42Å; C51-C68 HydrophobicContact CB-CB 3.72Å; C51-C68 WeakPolarHBondContact CB-SG 3.3Å; C51-C68 WeakPolarHBondContact SG-CA 3.3Å; C51-C68 WeakPolarHBondContact SG-CB 3.16Å; C51-C68 CovalentContact SG-SG 2.04Å; C51-C68 PolarHBondContact SG-SG 3.24Å
52	R	83.4	Confident	79.1	Confident	156 Å²	156	90.3 Å²	90.3	59%	0.589	44%	0.441	S	S	*	.			trans	-73.1	165.4	174.4	-66.1	178.6	166	-175.2	-2.7	111.3	Y54 E55	R52-Y54 PolarHBondContact O-N 3.4Å; R52-E55 HydrophobicContact CB-CB 4.37Å; R52-E55 HydrophobicContact CB-CG 4.04Å; R52-E55 PolarHBondContact N-OE2 3.34Å; R52-E55 WeakPolarHBondContact O-CB 3.5Å; R52-E55 PolarHBondContact O-N 2.95Å
53	E	77.5	Confident	79.4	Confident	173 Å²	173	92.1 Å²	92.1	81%	0.808	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.1	179.7	-173.7	178.4	-169.7	0	0	113.6
54	Y	78.8	Confident	79.7	Confident	136 Å²	136	93.3 Å²	93.3	53%	0.533	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	16.9	177.5	-51.5	-75.1	0	0	0	113.2	R52 L71 I75	R52-Y54 PolarHBondContact O-N 3.4Å; Y54-L71 WeakPolarHBondContact O-CB 3.41Å; Y54-L71 PolarHBondContact O-N 3.01Å; Y54-I75 HydrophobicContact CD1-CD1 4.34Å; Y54-I75 HydrophobicContact CE1-CD1 4.11Å
55	E	84.2	Confident	80.1	Confident	32 Å²	32	88.4 Å²	88.4	15%	0.15	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141	178	-69	169.8	178	0	0	110.4	C51 R52 C68 L69	C51-E55 HydrophobicContact CB-CB 3.95Å; R52-E55 HydrophobicContact CB-CB 4.37Å; R52-E55 HydrophobicContact CB-CG 4.04Å; R52-E55 PolarHBondContact N-OE2 3.34Å; R52-E55 WeakPolarHBondContact O-CB 3.5Å; R52-E55 PolarHBondContact O-N 2.95Å; E55-C68 HydrophobicContact CB-CB 4.14Å; E55-C68 HydrophobicContact CG-CB 4.47Å; E55-C68 WeakPolarHBondContact OE2-CB 3.3Å; E55-L69 CarbonylContact C-O 3.58Å; E55-L69 WeakPolarHBondContact CA-O 3.43Å; E55-L69 WeakPolarHBondContact CB-O 3.36Å
56	I	81.8	Confident	80.5	Confident	75 Å²	75	91.7 Å²	91.7	39%	0.385	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.1	172.8	61.4	173.2	0	0	0	109.8	Y58 C68 L69 L71	I56-Y58 PolarHBondContact O-N 3.49Å; I56-C68 WeakPolarHBondContact O-CA 3.22Å; I56-L69 HydrophobicContact CD1-CB 4.43Å; I56-L69 HydrophobicContact CD1-CD1 4.46Å; I56-L69 HydrophobicContact CG1-CB 3.81Å; I56-L69 PolarHBondContact N-O 3.33Å; I56-L69 PolarHBondContact O-N 3.44Å; I56-L71 HydrophobicContact CG2-CB 4.39Å; I56-L71 HydrophobicContact CG2-CD1 4.33Å; I56-L71 HydrophobicContact CG2-CD2 4.27Å
57	Q	82.4	Confident	80.6	Confident	101 Å²	101	87.5 Å²	87.5	47%	0.472	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.8	168	178.7	179.8	-12.6	0	0	108.4	K66 C67	Q57-K66 HydrophobicContact CG-CB 4.15Å; Q57-K66 HydrophobicContact CG-CD 4.34Å; Q57-K66 HydrophobicContact CG-CG 4.37Å; Q57-K66 VanDerWaalsContact OE1-CD 3.28Å; Q57-C67 WeakPolarHBondContact CA-O 3.11Å
58	Y	75.1	Confident	80.9	Confident	123 Å²	123	86 Å²	86	48%	0.482	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-51.3	-178.7	-174.7	-104.7	0	0	0	113.2	Y43 I56 C67 L69	Y43-Y58 HydrophobicContact CD2-CD1 4.41Å; Y43-Y58 HydrophobicContact CD2-CE1 4.07Å; Y43-Y58 AromaticContact CE2-CE1 3.82Å; Y43-Y58 HydrophobicContact CE2-CE1 3.82Å; I56-Y58 PolarHBondContact O-N 3.49Å; Y58-C67 PolarHBondContact N-O 3.42Å; Y58-L69 VanDerWaalsContact CB-CD1 3.46Å; Y58-L69 HydrophobicContact CD1-CD1 4.18Å; Y58-L69 HydrophobicContact CD2-CD1 3.95Å; Y58-L69 HydrophobicContact CG-CD1 3.6Å; Y58-L69 HydrophobicContact CG-CG 4.42Å
59	L	77.9	Confident	81.1	Confident	74 Å²	74	83.1 Å²	83.1	39%	0.387	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	171.9	-177.4	-147.3	84.9	0	0	0	111.1	P39 C67	P39-L59 HydrophobicContact CB-CD2 3.82Å; P39-L59 HydrophobicContact CG-CD2 3.26Å; L59-C67 HydrophobicContact CB-CB 4.16Å; L59-C67 WeakPolarHBondContact O-CA 3.23Å; L59-C67 WeakPolarHBondContact O-CB 3.43Å; L59-C67 PolarHBondContact O-N 3Å
60	T	77.5	Confident	80.9	Confident	86 Å²	86	85.5 Å²	85.5	53%	0.528	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.7	169.3	-45	0	0	0	0	108.9	Q65	T60-Q65 CarbonylContact C-O 3.58Å; T60-Q65 WeakPolarHBondContact CG2-O 3.43Å
61	C	78.2	Confident	80.5	Confident	6 Å²	6	84.6 Å²	84.6	4%	0.041	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-81.3	164.6	172.1	-71	0	0	0	0	110.9	C47 Q65	C47-C61 VanDerWaalsContact CA-SG 3.55Å; C47-C61 HydrophobicContact CB-CB 3.62Å; C47-C61 WeakPolarHBondContact CB-SG 2.97Å; C47-C61 WeakPolarHBondContact SG-CB 3.33Å; C47-C61 CovalentContact SG-SG 2.02Å; C47-C61 PolarHBondContact SG-SG 3.16Å; C61-Q65 HydrophobicContact CB-CB 3.98Å; C61-Q65 PolarHBondContact N-O 3.31Å
62	P	73.9	Confident	79.6	Confident	83 Å²	83	88.4 Å²	88.4	54%	0.539	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	144.8	166.1	-20.8	31.7	0	0	0	110.2
63	N	77.8	Confident	78.3	Confident	141 Å²	141	84.4 Å²	84.4	75%	0.754	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	32.3	179.2	-145.9	23.5	0	0	0	115.4	Q65	N63-Q65 PolarHBondContact O-N 3.47Å
64	D	77.2	Confident	77	Confident	149 Å²	149	85.7 Å²	85.7	80%	0.797	43%	0.432	S	S	*	.	S	Bend	trans	57.5	17.7	177.9	-61.4	-53.7	0	0	0	115.1
65	Q	82.7	Confident	75.6	Confident	53 Å²	53	84.1 Å²	84.1	25%	0.248	43%	0.431	C	S	.	.			trans	-79.6	154.8	174.5	-68.1	-177.9	-0	0	0	110.4	C47 T60 C61 N63	C47-Q65 HydrophobicContact CB-CB 4.38Å; T60-Q65 CarbonylContact C-O 3.58Å; T60-Q65 WeakPolarHBondContact CG2-O 3.43Å; C61-Q65 HydrophobicContact CB-CB 3.98Å; C61-Q65 PolarHBondContact N-O 3.31Å; N63-Q65 PolarHBondContact O-N 3.47Å
66	K	86.6	Confident	73.7	Confident	79 Å²	79	89.6 Å²	89.6	34%	0.343	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134	176.4	-62.4	178.2	171.7	-156.6	0	109.2	C47 R48 N49 Q57 C68	C47-K66 WeakPolarHBondContact CA-O 3.29Å; R48-K66 PolarHBondContact N-O 3.38Å; R48-K66 CarbonylContact O-C 3.48Å; R48-K66 WeakPolarHBondContact O-CA 3.03Å; R48-K66 WeakPolarHBondContact O-CB 3.11Å; R48-K66 PolarHBondContact O-N 3.35Å; N49-K66 WeakPolarHBondContact O-CD 3.21Å; Q57-K66 HydrophobicContact CG-CB 4.15Å; Q57-K66 HydrophobicContact CG-CD 4.34Å; Q57-K66 HydrophobicContact CG-CG 4.37Å; Q57-K66 VanDerWaalsContact OE1-CD 3.28Å; K66-C68 PolarHBondContact O-N 3.28Å
67	C	85.1	Confident	72	Confident	0 Å²	0	89.8 Å²	89.8	0%	0	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	114.4	169.3	177.2	0	0	0	0	109.2	C40 Q57 Y58 L59	C40-C67 WeakPolarHBondContact CA-SG 3.46Å; C40-C67 HydrophobicContact CB-CB 3.77Å; C40-C67 WeakPolarHBondContact CB-SG 3.24Å; C40-C67 WeakPolarHBondContact SG-CA 3.3Å; C40-C67 WeakPolarHBondContact SG-CB 3.14Å; C40-C67 CovalentContact SG-SG 2.01Å; C40-C67 PolarHBondContact SG-SG 3.42Å; Q57-C67 WeakPolarHBondContact CA-O 3.11Å; Y58-C67 PolarHBondContact N-O 3.42Å; L59-C67 HydrophobicContact CB-CB 4.16Å; L59-C67 WeakPolarHBondContact O-CA 3.23Å; L59-C67 WeakPolarHBondContact O-CB 3.43Å; L59-C67 PolarHBondContact O-N 3Å
68	C	87	Confident	70.1	Confident	2 Å²	2	90.4 Å²	90.4	1%	0.014	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.5	-178.4	-55.9	0	0	0	0	109.8	G45 I46 C51 E55 I56 K66	G45-C68 WeakPolarHBondContact CA-O 3.29Å; I46-C68 PolarHBondContact N-O 3.19Å; I46-C68 WeakPolarHBondContact O-CB 3.49Å; I46-C68 PolarHBondContact O-N 3.26Å; C51-C68 WeakPolarHBondContact CA-SG 3.42Å; C51-C68 HydrophobicContact CB-CB 3.72Å; C51-C68 WeakPolarHBondContact CB-SG 3.3Å; C51-C68 WeakPolarHBondContact SG-CA 3.3Å; C51-C68 WeakPolarHBondContact SG-CB 3.16Å; C51-C68 CovalentContact SG-SG 2.04Å; C51-C68 PolarHBondContact SG-SG 3.24Å; E55-C68 HydrophobicContact CB-CB 4.14Å; E55-C68 HydrophobicContact CG-CB 4.47Å; E55-C68 WeakPolarHBondContact OE2-CB 3.3Å; I56-C68 WeakPolarHBondContact O-CA 3.22Å; K66-C68 PolarHBondContact O-N 3.28Å
69	L	85	Confident	68.7	Low	19 Å²	19	93.2 Å²	93.2	10%	0.099	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.8	175.2	-56.7	-178	0	0	0	109.1	G45 E55 I56 Y58 L71	G45-L69 VanDerWaalsContact CA-CD2 3.43Å; E55-L69 CarbonylContact C-O 3.58Å; E55-L69 WeakPolarHBondContact CA-O 3.43Å; E55-L69 WeakPolarHBondContact CB-O 3.36Å; I56-L69 HydrophobicContact CD1-CB 4.43Å; I56-L69 HydrophobicContact CD1-CD1 4.46Å; I56-L69 HydrophobicContact CG1-CB 3.81Å; I56-L69 PolarHBondContact N-O 3.33Å; I56-L69 PolarHBondContact O-N 3.44Å; Y58-L69 VanDerWaalsContact CB-CD1 3.46Å; Y58-L69 HydrophobicContact CD1-CD1 4.18Å; Y58-L69 HydrophobicContact CD2-CD1 3.95Å; Y58-L69 HydrophobicContact CG-CD1 3.6Å; Y58-L69 HydrophobicContact CG-CG 4.42Å; L69-L71 PolarHBondContact O-N 2.96Å
70	K	80.4	Confident	67.3	Low	166 Å²	166	97.6 Å²	97.6	72%	0.722	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	116.2	173.5	-172	176.9	-179.4	-176.1	0	108.6	S72	K70-S72 PolarHBondContact O-N 3.41Å
71	L	73.9	Confident	65.4	Low	86 Å²	86	100.1 Å²	100.1	45%	0.45	54%	0.544	S	S	.	.			trans	-74.1	112.2	173.1	-169.6	64.6	0	0	0	107.1	Y54 I56 L69 V73	Y54-L71 WeakPolarHBondContact O-CB 3.41Å; Y54-L71 PolarHBondContact O-N 3.01Å; I56-L71 HydrophobicContact CG2-CB 4.39Å; I56-L71 HydrophobicContact CG2-CD1 4.33Å; I56-L71 HydrophobicContact CG2-CD2 4.27Å; L69-L71 PolarHBondContact O-N 2.96Å; L71-V73 HydrophobicContact CB-CG2 4.04Å; L71-V73 HydrophobicContact CD2-CG2 3.32Å; L71-V73 HydrophobicContact CG-CG2 3.44Å; L71-V73 VanDerWaalsContact CG-CG2 3.44Å; L71-V73 PolarHBondContact O-N 3.07Å
72	S	64.9	Low	63.5	Low	116 Å²	116	109.8 Å²	109.8	81%	0.811	59%	0.586	S	S	*	*			trans	-71.7	64.9	169.2	-64.1	0	0	0	0	109.4	K70 K74	K70-S72 PolarHBondContact O-N 3.41Å; S72-K74 PolarHBondContact O-N 3.4Å; S72-K74 VanDerWaalsContact O-N 3.14Å
73	V	56.9	Low	62.1	Low	73 Å²	73	113.3 Å²	113.3	44%	0.442	60%	0.595	S	S	.	*			trans	-66.3	113.9	167.4	-171.5	0	0	0	0	105.4	L71 I75	L71-V73 HydrophobicContact CB-CG2 4.04Å; L71-V73 HydrophobicContact CD2-CG2 3.32Å; L71-V73 HydrophobicContact CG-CG2 3.44Å; L71-V73 VanDerWaalsContact CG-CG2 3.44Å; L71-V73 PolarHBondContact O-N 3.07Å; V73-I75 HydrophobicContact CB-CG1 3.88Å; V73-I75 HydrophobicContact CG1-CG1 3.71Å; V73-I75 PolarHBondContact O-N 2.8Å
74	K	50.2	Low	60.1	Low	200 Å²	200	114.4 Å²	114.4	87%	0.87	60%	0.601	S	S	*	*			trans	-63	87.4	157.1	-105.5	-174.9	176.2	-177.7	0	105.6	S72 T76	S72-K74 PolarHBondContact O-N 3.4Å; S72-K74 VanDerWaalsContact O-N 3.14Å; K74-T76 VanDerWaalsContact C-N 3.25Å; K74-T76 PolarHBondContact O-N 3.26Å
75	I	49.7	Very low	58.6	Low	102 Å²	102	116.2 Å²	116.2	52%	0.523	60%	0.598	S	S	.	*			trans	-69.3	93.4	174.5	-64.3	175.8	0	0	0	105.3	Y54 V73 S77	Y54-I75 HydrophobicContact CD1-CD1 4.34Å; Y54-I75 HydrophobicContact CE1-CD1 4.11Å; V73-I75 HydrophobicContact CB-CG1 3.88Å; V73-I75 HydrophobicContact CG1-CG1 3.71Å; V73-I75 PolarHBondContact O-N 2.8Å; I75-S77 PolarHBondContact O-N 2.97Å
76	T	44.4	Very low	56.8	Low	148 Å²	148	121.2 Å²	121.2	91%	0.908	63%	0.626	S	S	*	*			trans	-72.2	69.2	161	-20.2	0	0	0	0	106.9	K74	K74-T76 VanDerWaalsContact C-N 3.25Å; K74-T76 PolarHBondContact O-N 3.26Å
77	S	44.3	Very low	54.9	Low	78 Å²	78	121.5 Å²	121.5	55%	0.545	64%	0.638	S	S	.	*			trans	-132.5	109.4	176.3	-168.4	0	0	0	0	109.4	I75 K79	I75-S77 PolarHBondContact O-N 2.97Å; S77-K79 PolarHBondContact O-N 3.29Å
78	S	44.2	Very low	53	Low	115 Å²	115	129.6 Å²	129.6	80%	0.804	68%	0.682	S	S	*	*			trans	-47.9	90	152.4	165.8	0	0	0	0	109.3
79	K	44.4	Very low	50.8	Low	181 Å²	181	133.2 Å²	133.2	79%	0.787	71%	0.707	S	S	*	*	S	Bend	trans	179.5	116	147.2	-100.7	162.9	-174.7	-178.1	0	110.3	S77 V81	S77-K79 PolarHBondContact O-N 3.29Å; K79-V81 PolarHBondContact O-N 3.33Å
80	N	48.3	Very low	49.4	Very low	166 Å²	166	140.2 Å²	140.2	89%	0.888	74%	0.744	S	S	*	*			trans	-22.8	106	168.8	-61.8	-77.2	0	0	0	115.3
81	V	39.1	Very low	47.9	Very low	140 Å²	140	139.2 Å²	139.2	85%	0.848	75%	0.746	S	S	*	*			trans	-132.9	119.3	147.8	177	0	0	0	0	107.7	K79	K79-V81 PolarHBondContact O-N 3.33Å
82	K	36.8	Very low	46.7	Very low	209 Å²	209	140.7 Å²	140.7	91%	0.909	76%	0.764	S	S	*	*			trans	-54.8	131.5	-170.8	-169.3	176.2	178.4	-170.2	0	112.4
83	E	45.8	Very low	45.8	Very low	156 Å²	156	141.2 Å²	141.2	73%	0.729	76%	0.762	S	S	*	*			trans	-58.2	147.2	178.4	-63	168.1	139.5	0	0	113.2
84	N	34.8	Very low	44.9	Very low	165 Å²	165	142.3 Å²	142.3	88%	0.882	78%	0.779	S	S	*	*			trans	-143.1	95.1	133.2	-133.8	-4.5	0	0	0	107.2
85	Y	47.1	Very low	45	Very low	187 Å²	187	140.2 Å²	140.2	73%	0.733	78%	0.777	S	S	*	*			trans	-102.2	87.1	-169.2	-126.3	-84.3	0	0	0	108.6
86	D	44	Very low	44.6	Very low	157 Å²	157	141 Å²	141	84%	0.84	79%	0.791	S	S	*	*			trans	-112.2	91.8	161.4	-79.3	-36.1	0	0	0	107.2
87	S	45.6	Very low	45.2	Very low	86 Å²	86	138.8 Å²	138.8	60%	0.601	78%	0.782	S	S	*	*			trans	-135.5	76.1	179.1	-68.1	0	0	0	0	109.9	S89	S87-S89 PolarHBondContact O-N 3Å
88	N	46	Very low	45.4	Very low	170 Å²	170	140.4 Å²	140.4	91%	0.909	79%	0.793	S	S	*	*			trans	-83.9	89.5	158.3	-93.2	-24.5	0	0	0	108.2
89	S	42	Very low	45.9	Very low	78 Å²	78	144.1 Å²	144.1	55%	0.545	79%	0.791	S	S	.	*			trans	-133.6	100.7	164.3	64.6	0	0	0	0	110	S87 L91	S87-S89 PolarHBondContact O-N 3Å; S89-L91 VanDerWaalsContact C-N 3.35Å; S89-L91 PolarHBondContact O-N 2.99Å; S89-L91 VanDerWaalsContact O-N 3.16Å
90	N	54.9	Low	46.4	Very low	165 Å²	165	140.5 Å²	140.5	88%	0.882	79%	0.788	S	S	*	*			trans	-76.5	87.4	166.6	-75.3	-63.1	0	0	0	107.5
91	L	48.8	Very low	46.2	Very low	146 Å²	146	140.4 Å²	140.4	76%	0.764	78%	0.782	S	S	*	*			trans	-102.1	103.8	174	-153.6	90.8	0	0	0	109.8	S89 V93	S89-L91 VanDerWaalsContact C-N 3.35Å; S89-L91 PolarHBondContact O-N 2.99Å; S89-L91 VanDerWaalsContact O-N 3.16Å; L91-V93 PolarHBondContact O-N 3.29Å
92	S	49	Very low	46.4	Very low	117 Å²	117	144.9 Å²	144.9	82%	0.818	80%	0.799	S	S	*	*			trans	-71.7	111.4	166.5	38.5	0	0	0	0	109.2	A94	S92-A94 PolarHBondContact O-N 2.79Å
93	V	46	Very low	46.9	Very low	127 Å²	127	141.7 Å²	141.7	77%	0.77	79%	0.794	S	S	*	*			trans	-68.2	110.6	174.9	175.8	0	0	0	0	109	L91	L91-V93 PolarHBondContact O-N 3.29Å
94	A	37.2	Very low	47	Very low	96 Å²	96	140.9 Å²	140.9	79%	0.793	80%	0.797	S	S	*	*			trans	-104.6	100.5	164.7	0	0	0	0	0	108.6	S92	S92-A94 PolarHBondContact O-N 2.79Å
95	N	52.2	Low	47.7	Very low	155 Å²	155	139.6 Å²	139.6	83%	0.829	79%	0.792	S	S	*	*			trans	-75.8	120	173.5	-144.4	9	0	0	0	107.9
96	S	42.5	Very low	47.7	Very low	119 Å²	119	136.8 Å²	136.8	83%	0.832	80%	0.796	S	S	*	*			trans	-135.5	104.8	161	62.1	0	0	0	0	109.7
97	S	55.9	Low	47.9	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	79%	0.793	S	S	*	*			trans	-81.1	142.6	172.7	52.2	0	0	0	0	111.1
98	S	49.1	Very low	48.1	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	81%	0.806	S	S	*	*			trans	129.7	102.6	138.4	-58.6	0	0	0	0	112.5
99	Y	55.4	Low	48.2	Very low	194 Å²	194	136.6 Å²	136.6	76%	0.761	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-103.3	120	159.9	-172.9	-100.2	0	0	0	108	H101	Y99-H101 AromaticContact CD1-CD2 3.85Å; Y99-H101 AromaticContact CE1-CD2 3.54Å; Y99-H101 AromaticContact CE1-CE1 3.97Å; Y99-H101 AromaticContact CE1-CG 3.91Å; Y99-H101 AromaticContact CE1-NE2 3.59Å
100	S	54.1	Low	48.7	Very low	104 Å²	104	141.2 Å²	141.2	73%	0.727	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-100.4	120.5	172.4	-46.2	0	0	0	0	107.9
101	H	43.3	Very low	48.2	Very low	164 Å²	164	139.2 Å²	139.2	76%	0.759	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-75.1	130.8	168.6	-97.1	-84.5	0	0	0	109.8	Y99	Y99-H101 AromaticContact CD1-CD2 3.85Å; Y99-H101 AromaticContact CE1-CD2 3.54Å; Y99-H101 AromaticContact CE1-CE1 3.97Å; Y99-H101 AromaticContact CE1-CG 3.91Å; Y99-H101 AromaticContact CE1-NE2 3.59Å
102	I	45	Very low	48.2	Very low	235 Å²	235	138.5 Å²	138.5	100%	1.205	82%	0.817	S	S	*	*			trans	-116.9	0	150.6	-67.7	173.4	0	0	0	106

Retrieved 102 of 102 residues in 154.3 ms (Link to these results)

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