A0A096NX51_PAPAN Loading...

WAP four-disulfide core domain 9

AlphaFold DB , UniProt , Accession A0A096NX51, Species PAPAN (Papio anubis, Olive baboon), Gene WFDC9, Length 89 aa.

						>A0A096NX51_PAPAN|A0A096NX51|WFDC9
MKPWIPPLIMFISGVVMLLPVLGSLWTRDPLLDLIQQTEQCWVQPPYKYCEKRCTKIRTCIRPNHTCCWTYCGNICLDNEEPLKSMLDP
					

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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	55.7	Low	72.7	Confident	241 Å²	241	130.6 Å²	130.6	100%	1.187	65%	0.651	S	S	*	*				0	125.6	0	-66.1	174.7	-179.7	0	0	107.8	P3	M1-P3 WeakPolarHBondContact O-CD 3.47Å
2	K	65.3	Low	73.3	Confident	152 Å²	152	128.5 Å²	128.5	66%	0.661	64%	0.642	S	S	*	*			trans	-74.9	118.1	-173.1	-164.6	99.5	164.2	-86.5	0	108.3	W4 I5	K2-W4 PolarHBondContact O-N 3.2Å; K2-I5 HydrophobicContact CB-CD1 3.75Å; K2-I5 HydrophobicContact CB-CG1 4.06Å; K2-I5 PolarHBondContact O-N 3.08Å
3	P	65.7	Low	73.5	Confident	100 Å²	100	123.2 Å²	123.2	65%	0.649	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-3.1	-169.4	17.8	-21.9	0	0	0	114.4	M1	M1-P3 WeakPolarHBondContact O-CD 3.47Å
4	W	70.6	Confident	73.7	Confident	193 Å²	193	116.9 Å²	116.9	73%	0.731	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-8.7	-171.5	-60.1	28.5	0	0	0	111.9	K2 P7 L8	K2-W4 PolarHBondContact O-N 3.2Å; W4-P7 WeakPolarHBondContact O-CD 3.46Å; W4-P7 WeakPolarHBondContact O-CG 3.38Å; W4-L8 WeakPolarHBondContact O-CD1 3.26Å; W4-L8 VanDerWaalsContact O-CG 3.29Å; W4-L8 WeakPolarHBondContact O-CG 3.32Å
5	I	73.6	Confident	73.6	Confident	94 Å²	94	113.5 Å²	113.5	48%	0.482	59%	0.592	S	S	.	*	H	α-helix	trans	-72.4	-44	179	-59.1	169.7	0	0	0	111.9	K2 L8 I9	K2-I5 HydrophobicContact CB-CD1 3.75Å; K2-I5 HydrophobicContact CB-CG1 4.06Å; K2-I5 PolarHBondContact O-N 3.08Å; I5-L8 PolarHBondContact O-N 3.04Å; I5-I9 HydrophobicContact CG2-CD1 3.81Å; I5-I9 HydrophobicContact CG2-CG1 4.47Å; I5-I9 WeakPolarHBondContact O-CG1 3.03Å; I5-I9 PolarHBondContact O-N 3.14Å
6	P	75.9	Confident	73.4	Confident	84 Å²	84	111.7 Å²	111.7	55%	0.545	59%	0.587	S	S	.	*	H	α-helix	trans	-58.5	-45.8	179.5	-21.4	32.1	0	0	0	115.3	L8 I9 M10	P6-L8 VanDerWaalsContact C-N 3.32Å; P6-L8 PolarHBondContact O-N 3.1Å; P6-I9 PolarHBondContact O-N 3Å; P6-M10 PolarHBondContact O-N 3.26Å
7	P	77.9	Confident	73	Confident	68 Å²	68	113.9 Å²	113.9	44%	0.442	60%	0.596	S	S	.	*	H	α-helix	trans	-69	-30.7	-178.8	25.7	-33.9	0	0	0	112.8	W4 M10 F11	W4-P7 WeakPolarHBondContact O-CD 3.46Å; W4-P7 WeakPolarHBondContact O-CG 3.38Å; P7-M10 PolarHBondContact O-N 3.32Å; P7-F11 PolarHBondContact O-N 2.78Å; P7-F11 VanDerWaalsContact O-N 3.08Å
8	L	79.4	Confident	72.4	Confident	112 Å²	112	114.6 Å²	114.6	59%	0.586	60%	0.599	S	S	*	*	H	α-helix	trans	-65.8	-42.5	176.5	-70.1	171.8	0	0	0	111.6	W4 I5 P6 M10 F11 I12	W4-L8 WeakPolarHBondContact O-CD1 3.26Å; W4-L8 VanDerWaalsContact O-CG 3.29Å; W4-L8 WeakPolarHBondContact O-CG 3.32Å; I5-L8 PolarHBondContact O-N 3.04Å; P6-L8 VanDerWaalsContact C-N 3.32Å; P6-L8 PolarHBondContact O-N 3.1Å; L8-M10 VanDerWaalsContact C-N 3.34Å; L8-M10 PolarHBondContact O-N 2.01Å; L8-F11 PolarHBondContact O-N 3.11Å; L8-I12 WeakPolarHBondContact O-CG1 3.2Å; L8-I12 PolarHBondContact O-N 2.92Å
9	I	80.4	Confident	71.7	Confident	112 Å²	112	113.9 Å²	113.9	57%	0.574	60%	0.596	S	S	*	*	H	α-helix	trans	-63	-43.1	178.6	-66.3	168.1	0	0	0	110.7	I5 P6 F11 I12 S13	I5-I9 HydrophobicContact CG2-CD1 3.81Å; I5-I9 HydrophobicContact CG2-CG1 4.47Å; I5-I9 WeakPolarHBondContact O-CG1 3.03Å; I5-I9 PolarHBondContact O-N 3.14Å; P6-I9 PolarHBondContact O-N 3Å; I9-F11 VanDerWaalsContact C-N 3.35Å; I9-F11 PolarHBondContact O-N 3.34Å; I9-I12 PolarHBondContact O-N 3.23Å; I9-S13 PolarHBondContact O-N 3.22Å; I9-S13 PolarHBondContact O-OG 2.89Å
10	M	76.9	Confident	71.1	Confident	138 Å²	138	112.9 Å²	112.9	68%	0.68	60%	0.597	S	S	*	*	H	α-helix	trans	-61.8	-42.9	177.8	-171.9	179.2	66	0	0	111.7	P6 P7 L8 S13 G14	P6-M10 PolarHBondContact O-N 3.26Å; P7-M10 PolarHBondContact O-N 3.32Å; L8-M10 VanDerWaalsContact C-N 3.34Å; L8-M10 PolarHBondContact O-N 2.01Å; M10-S13 WeakPolarHBondContact CA-OG 3.48Å; M10-S13 PolarHBondContact O-N 2.92Å; M10-S13 PolarHBondContact O-OG 3.05Å; M10-G14 PolarHBondContact O-N 3.36Å
11	F	78.8	Confident	70.4	Confident	143 Å²	143	113 Å²	113	63%	0.627	60%	0.602	S	S	*	*	H	α-helix	trans	-61.9	-47.4	177.5	-173.7	-101.1	0	0	0	112.1	P7 L8 I9 S13 G14 V15	P7-F11 PolarHBondContact O-N 2.78Å; P7-F11 VanDerWaalsContact O-N 3.08Å; L8-F11 PolarHBondContact O-N 3.11Å; I9-F11 VanDerWaalsContact C-N 3.35Å; I9-F11 PolarHBondContact O-N 3.34Å; F11-S13 PolarHBondContact O-N 3.2Å; F11-G14 PolarHBondContact O-N 3.02Å; F11-V15 HydrophobicContact CE1-CG2 4.27Å; F11-V15 HydrophobicContact CZ-CG2 4.43Å; F11-V15 WeakPolarHBondContact O-CG2 3.05Å; F11-V15 PolarHBondContact O-N 3.06Å
12	I	80	Confident	70.3	Confident	105 Å²	105	107.3 Å²	107.3	54%	0.538	58%	0.575	S	S	.	*	H	α-helix	trans	-63.4	-42.8	178.3	-61.2	-60.5	0	0	0	111.1	L8 I9 G14 V15 V16	L8-I12 WeakPolarHBondContact O-CG1 3.2Å; L8-I12 PolarHBondContact O-N 2.92Å; I9-I12 PolarHBondContact O-N 3.23Å; I12-G14 VanDerWaalsContact C-N 3.32Å; I12-G14 PolarHBondContact O-N 2.71Å; I12-V15 PolarHBondContact O-N 2.77Å; I12-V16 HydrophobicContact CG2-CG2 4.32Å; I12-V16 VanDerWaalsContact O-CG2 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 2.87Å; I12-V16 PolarHBondContact O-N 3.32Å
13	S	75.6	Confident	69.6	Low	59 Å²	59	102.1 Å²	102.1	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-62.7	-36.5	177.4	61.1	0	0	0	0	113.3	I9 M10 F11 V16 M17	I9-S13 PolarHBondContact O-N 3.22Å; I9-S13 PolarHBondContact O-OG 2.89Å; M10-S13 WeakPolarHBondContact CA-OG 3.48Å; M10-S13 PolarHBondContact O-N 2.92Å; M10-S13 PolarHBondContact O-OG 3.05Å; F11-S13 PolarHBondContact O-N 3.2Å; S13-V16 PolarHBondContact O-N 3.17Å; S13-M17 VanDerWaalsContact O-CG 3.28Å; S13-M17 WeakPolarHBondContact O-CG 3.46Å; S13-M17 PolarHBondContact O-N 3.35Å; S13-M17 VanDerWaalsContact O-N 3.11Å
14	G	76.2	Confident	69	Low	35 Å²	35	101.8 Å²	101.8	36%	0.361	57%	0.565	S	S	.	*	H	α-helix	trans	-64.7	-42.7	176.4	0	0	0	0	0	112.3	M10 F11 I12 M17 L18	M10-G14 PolarHBondContact O-N 3.36Å; F11-G14 PolarHBondContact O-N 3.02Å; I12-G14 VanDerWaalsContact C-N 3.32Å; I12-G14 PolarHBondContact O-N 2.71Å; G14-M17 PolarHBondContact O-N 3.13Å; G14-L18 WeakPolarHBondContact O-CG 3.48Å; G14-L18 PolarHBondContact O-N 2.97Å
15	V	72.3	Confident	68	Low	67 Å²	67	99.3 Å²	99.3	41%	0.406	57%	0.565	S	S	.	*	H	α-helix	trans	-66.1	-42.7	177.4	177.1	0	0	0	0	111.2	F11 I12 M17 L18 L19	F11-V15 HydrophobicContact CE1-CG2 4.27Å; F11-V15 HydrophobicContact CZ-CG2 4.43Å; F11-V15 WeakPolarHBondContact O-CG2 3.05Å; F11-V15 PolarHBondContact O-N 3.06Å; I12-V15 PolarHBondContact O-N 2.77Å; V15-M17 VanDerWaalsContact C-N 3.3Å; V15-M17 PolarHBondContact O-N 3.21Å; V15-L18 PolarHBondContact O-N 2.96Å; V15-L19 HydrophobicContact CG1-CD1 4.15Å; V15-L19 WeakPolarHBondContact O-CD1 3.34Å; V15-L19 WeakPolarHBondContact O-CG 2.96Å; V15-L19 PolarHBondContact O-N 2.94Å
16	V	70.1	Confident	66.7	Low	84 Å²	84	105.6 Å²	105.6	51%	0.509	58%	0.583	S	S	.	*	H	α-helix	trans	-62.2	-34.9	177.8	173.7	0	0	0	0	112.4	I12 S13 P20	I12-V16 HydrophobicContact CG2-CG2 4.32Å; I12-V16 VanDerWaalsContact O-CG2 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 2.87Å; I12-V16 PolarHBondContact O-N 3.32Å; S13-V16 PolarHBondContact O-N 3.17Å; V16-P20 WeakPolarHBondContact O-CD 3.31Å
17	M	66.8	Low	65.4	Low	149 Å²	149	106.5 Å²	106.5	73%	0.734	59%	0.587	S	S	*	*	H	α-helix	trans	-76.5	-20.8	177.8	-68.3	-66.3	179.3	0	0	113.9	S13 G14 V15 P20	S13-M17 VanDerWaalsContact O-CG 3.28Å; S13-M17 WeakPolarHBondContact O-CG 3.46Å; S13-M17 PolarHBondContact O-N 3.35Å; S13-M17 VanDerWaalsContact O-N 3.11Å; G14-M17 PolarHBondContact O-N 3.13Å; V15-M17 VanDerWaalsContact C-N 3.3Å; V15-M17 PolarHBondContact O-N 3.21Å; M17-P20 VanDerWaalsContact O-CD 3.26Å; M17-P20 WeakPolarHBondContact O-CD 3.39Å
18	L	61.5	Low	63.8	Low	126 Å²	126	113.7 Å²	113.7	66%	0.66	61%	0.605	S	S	*	*	H	α-helix	trans	-89.2	-21.5	177.8	-68.8	171.4	0	0	0	113.3	G14 V15 V21	G14-L18 WeakPolarHBondContact O-CG 3.48Å; G14-L18 PolarHBondContact O-N 2.97Å; V15-L18 PolarHBondContact O-N 2.96Å; L18-V21 PolarHBondContact O-N 3.19Å
19	L	59.9	Low	62.5	Low	102 Å²	102	113.2 Å²	113.2	53%	0.534	60%	0.604	S	S	.	*	H	α-helix	trans	-60.4	-35	177.5	-83.7	156.2	0	0	0	116	V15 V21 L22 G23	V15-L19 HydrophobicContact CG1-CD1 4.15Å; V15-L19 WeakPolarHBondContact O-CD1 3.34Å; V15-L19 WeakPolarHBondContact O-CG 2.96Å; V15-L19 PolarHBondContact O-N 2.94Å; L19-V21 PolarHBondContact O-N 3.32Å; L19-L22 PolarHBondContact O-N 3.41Å; L19-G23 PolarHBondContact O-N 3.39Å
20	P	59.6	Low	61.2	Low	94 Å²	94	113.1 Å²	113.1	61%	0.61	61%	0.61	S	S	*	*	H	α-helix	trans	-65.5	-24.8	-178.8	-18.2	30.6	0	0	0	113.4	V16 M17	V16-P20 WeakPolarHBondContact O-CD 3.31Å; M17-P20 VanDerWaalsContact O-CD 3.26Å; M17-P20 WeakPolarHBondContact O-CD 3.39Å
21	V	56.9	Low	59.8	Low	116 Å²	116	112.4 Å²	112.4	70%	0.703	61%	0.608	S	S	*	*	H	α-helix	trans	-78.9	-28.6	179	179.8	0	0	0	0	111.4	L18 L19	L18-V21 PolarHBondContact O-N 3.19Å; L19-V21 PolarHBondContact O-N 3.32Å
22	L	52.6	Low	58.2	Low	121 Å²	121	110.7 Å²	110.7	63%	0.634	61%	0.605	S	S	*	*	H	α-helix	trans	-81.8	-24	177.8	-115.9	74.2	0	0	0	113.5	L19 S24 L25	L19-L22 PolarHBondContact O-N 3.41Å; L22-S24 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 2.99Å; L22-L25 VanDerWaalsContact O-N 3.11Å
23	G	51.6	Low	56.6	Low	42 Å²	42	110.9 Å²	110.9	43%	0.433	61%	0.607	S	S	.	*	H	α-helix	trans	-62.3	-27.9	177.6	0	0	0	0	0	113.6	L19 L25 T27	L19-G23 PolarHBondContact O-N 3.39Å; G23-L25 VanDerWaalsContact C-N 3.26Å; G23-L25 PolarHBondContact O-N 3.32Å; G23-T27 PolarHBondContact O-OG1 2.67Å
24	S	51.7	Low	55.3	Low	94 Å²	94	113 Å²	113	66%	0.657	61%	0.613	S	S	*	*	H	α-helix	trans	-67.3	-24.4	175.5	-180	0	0	0	0	113.3	L22	L22-S24 PolarHBondContact O-N 3.43Å
25	L	49.4	Very low	54.1	Low	140 Å²	140	114.7 Å²	114.7	73%	0.733	61%	0.613	S	S	*	*	H	α-helix	trans	-85	-26.2	-174.8	-158.4	77.1	0	0	0	112.4	L22 G23	L22-L25 PolarHBondContact O-N 2.99Å; L22-L25 VanDerWaalsContact O-N 3.11Å; G23-L25 VanDerWaalsContact C-N 3.26Å; G23-L25 PolarHBondContact O-N 3.32Å
26	W	47.2	Very low	52.8	Low	226 Å²	226	119.1 Å²	119.1	86%	0.856	63%	0.63	S	S	*	*	H	α-helix	trans	-85.1	-16.3	179.8	-98.5	23.5	0	0	0	114.5	R28	W26-R28 PolarHBondContact O-N 2.03Å
27	T	48.3	Very low	51.9	Low	104 Å²	104	121.5 Å²	121.5	64%	0.638	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-8.6	179.7	-22.7	0	0	0	0	113.7	G23 D29	G23-T27 PolarHBondContact O-OG1 2.67Å; T27-D29 VanDerWaalsContact C-N 3.32Å; T27-D29 PolarHBondContact O-N 3Å
28	R	45.6	Very low	51.2	Low	218 Å²	218	117.6 Å²	117.6	82%	0.823	62%	0.62	S	S	*	*			trans	-97.5	63	173.3	-67.1	-160.7	168	-162.6	-4.8	109.6	W26 P30	W26-R28 PolarHBondContact O-N 2.03Å; R28-P30 WeakPolarHBondContact O-CD 3.12Å
29	D	51.5	Low	51.3	Low	103 Å²	103	118.3 Å²	118.3	55%	0.551	62%	0.62	S	S	*	*			trans	-61.5	115.6	161.3	-81.4	-48.9	0	0	0	107.4	T27 L31 L32	T27-D29 VanDerWaalsContact C-N 3.32Å; T27-D29 PolarHBondContact O-N 3Å; D29-L31 HydrophobicContact CB-CB 4.31Å; D29-L31 PolarHBondContact O-N 3.2Å; D29-L32 HydrophobicContact CB-CB 4.39Å; D29-L32 PolarHBondContact O-N 3.34Å
30	P	52.1	Low	51.3	Low	110 Å²	110	119.2 Å²	119.2	71%	0.714	62%	0.621	S	S	*	*	H	α-helix	trans	-59.9	-14.1	172.4	23.8	-31.9	0	0	0	112.1	R28 L34	R28-P30 WeakPolarHBondContact O-CD 3.12Å; P30-L34 PolarHBondContact O-N 3.03Å
31	L	48	Very low	51.7	Low	122 Å²	122	116.2 Å²	116.2	64%	0.639	60%	0.602	S	S	*	*	H	α-helix	trans	-66.6	-34.4	170.6	-164.7	81.2	0	0	0	112.6	D29 I35	D29-L31 HydrophobicContact CB-CB 4.31Å; D29-L31 PolarHBondContact O-N 3.2Å; L31-I35 HydrophobicContact CG-CD1 4.49Å; L31-I35 WeakPolarHBondContact O-CD1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.01Å; L31-I35 PolarHBondContact O-N 2.8Å
32	L	45.3	Very low	51.9	Low	108 Å²	108	121.2 Å²	121.2	57%	0.565	61%	0.609	S	S	*	*	H	α-helix	trans	-76.7	-37.8	-177.7	-159.6	78.7	0	0	0	111.9	D29 L34 I35 Q36	D29-L32 HydrophobicContact CB-CB 4.39Å; D29-L32 PolarHBondContact O-N 3.34Å; L32-L34 VanDerWaalsContact C-N 3.27Å; L32-L34 PolarHBondContact O-N 2.02Å; L32-I35 HydrophobicContact CD1-CD1 4.28Å; L32-I35 WeakPolarHBondContact O-CB 3.43Å; L32-I35 PolarHBondContact O-N 2.03Å; L32-I35 VanDerWaalsContact O-N 3.09Å; L32-Q36 PolarHBondContact O-N 2.97Å
33	D	45.8	Very low	52.5	Low	108 Å²	108	117 Å²	117	58%	0.578	59%	0.588	S	S	*	*	H	α-helix	trans	-62.9	-34.4	172.7	-99.9	-10.4	0	0	0	111.8	I35 Q36	D33-I35 VanDerWaalsContact C-N 3.34Å; D33-Q36 PolarHBondContact O-N 3.32Å
34	L	49.3	Very low	53.1	Low	104 Å²	104	122.9 Å²	122.9	55%	0.545	60%	0.604	S	S	.	*	H	α-helix	trans	-70	-30.8	173.9	-162.5	77.1	0	0	0	112.3	P30 L32 Q36 Q37	P30-L34 PolarHBondContact O-N 3.03Å; L32-L34 VanDerWaalsContact C-N 3.27Å; L32-L34 PolarHBondContact O-N 2.02Å; L34-Q36 VanDerWaalsContact C-N 3.29Å; L34-Q37 PolarHBondContact O-N 3.38Å
35	I	50	Low	54	Low	70 Å²	70	118.5 Å²	118.5	36%	0.359	57%	0.574	S	S	.	*	H	α-helix	trans	-69.1	-31.1	177.1	-70.2	164.1	0	0	0	111	L31 L32 D33 Q37 T38	L31-I35 HydrophobicContact CG-CD1 4.49Å; L31-I35 WeakPolarHBondContact O-CD1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.01Å; L31-I35 PolarHBondContact O-N 2.8Å; L32-I35 HydrophobicContact CD1-CD1 4.28Å; L32-I35 WeakPolarHBondContact O-CB 3.43Å; L32-I35 PolarHBondContact O-N 2.03Å; L32-I35 VanDerWaalsContact O-N 3.09Å; D33-I35 VanDerWaalsContact C-N 3.34Å; I35-Q37 PolarHBondContact O-N 2.87Å; I35-T38 PolarHBondContact O-OG1 3.27Å
36	Q	46.3	Very low	55.1	Low	161 Å²	161	114.2 Å²	114.2	75%	0.752	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-11.2	177.6	-153	164.8	-1.1	0	0	113	L32 D33 L34	L32-Q36 PolarHBondContact O-N 2.97Å; D33-Q36 PolarHBondContact O-N 3.32Å; L34-Q36 VanDerWaalsContact C-N 3.29Å
37	Q	50.2	Low	56.4	Low	134 Å²	134	112.4 Å²	112.4	63%	0.626	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	6.9	-178.2	-89.1	-177.4	35.8	0	0	115.7	L34 I35 E39	L34-Q37 PolarHBondContact O-N 3.38Å; I35-Q37 PolarHBondContact O-N 2.87Å; Q37-E39 PolarHBondContact O-N 3.27Å
38	T	53.5	Low	57.7	Low	66 Å²	66	113.6 Å²	113.6	41%	0.405	55%	0.545	S	S	.	.			trans	-76.5	80.7	163.7	45.4	0	0	0	0	109	I35	I35-T38 PolarHBondContact O-OG1 3.27Å
39	E	62.2	Low	59	Low	142 Å²	142	104.6 Å²	104.6	66%	0.664	51%	0.511	S	S	*	.			trans	-52.2	135.6	171.2	-67.4	-74.4	158.8	0	0	109.8	Q37 C41 C68	Q37-E39 PolarHBondContact O-N 3.27Å; E39-C41 PolarHBondContact O-N 3.48Å; E39-C68 WeakPolarHBondContact O-CB 3.45Å
40	Q	59.9	Low	60.1	Low	120 Å²	120	100.5 Å²	100.5	56%	0.561	49%	0.49	S	S	*	.	B	Isolated β-bridge	trans	-81.1	113	178.8	-149.1	175.3	-62.9	0	0	108.4	W42	Q40-W42 PolarHBondContact O-N 3.08Å
41	C	68.9	Low	61.4	Low	31 Å²	31	103.4 Å²	103.4	21%	0.209	49%	0.494	C	S	.	.			trans	-77.3	112.7	177	-88.6	0	0	0	0	109.8	E39 V43 C68 W69 T70	E39-C41 PolarHBondContact O-N 3.48Å; C41-V43 PolarHBondContact O-N 2.9Å; C41-C68 HydrophobicContact CB-CB 3.75Å; C41-C68 WeakPolarHBondContact CB-SG 2.87Å; C41-C68 WeakPolarHBondContact SG-CB 3.19Å; C41-C68 CovalentContact SG-SG 2.03Å; C41-C68 PolarHBondContact SG-SG 3.46Å; C41-W69 PolarHBondContact N-O 3.39Å; C41-T70 HydrophobicContact CB-CG2 3.91Å
42	W	60.4	Low	62.8	Low	222 Å²	222	101.6 Å²	101.6	84%	0.841	48%	0.481	S	S	*	.			trans	-83.1	46.7	176.6	-62.4	87.9	0	0	0	112.6	Q40	Q40-W42 PolarHBondContact O-N 3.08Å
43	V	66.3	Low	64.4	Low	33 Å²	33	105.1 Å²	105.1	20%	0.2	49%	0.487	C	S	.	.	S	Bend	trans	-132	138.3	179.3	-162.7	0	0	0	0	108.4	C41 P45 P82 L83 M86	C41-V43 PolarHBondContact O-N 2.9Å; V43-P45 WeakPolarHBondContact O-CD 3.04Å; V43-P82 HydrophobicContact CG2-CB 4.47Å; V43-L83 HydrophobicContact CG1-CD2 3.93Å; V43-L83 HydrophobicContact CG1-CG 4.15Å; V43-M86 HydrophobicContact CB-CE 4.21Å; V43-M86 HydrophobicContact CG1-CE 3.83Å; V43-M86 HydrophobicContact CG1-SD 3.55Å; V43-M86 VanDerWaalsContact CG1-SD 3.55Å
44	Q	64.4	Low	66	Low	164 Å²	164	100.2 Å²	100.2	77%	0.766	46%	0.461	S	S	*	.			trans	-89.2	99.3	175.2	-172.9	171.2	-8.9	0	0	109.1	Y71	Q44-Y71 HydrophobicContact CG-CD1 4.17Å; Q44-Y71 HydrophobicContact CG-CE1 4.02Å
45	P	68.7	Low	67.1	Low	3 Å²	3	98.8 Å²	98.8	2%	0.019	46%	0.457	C	S	.	.			trans	-66	144.3	-179.4	23.7	-34	0	0	0	112.4	V43 T70 Y71 I75 M86	V43-P45 WeakPolarHBondContact O-CD 3.04Å; P45-T70 HydrophobicContact CG-CG2 4.23Å; P45-Y71 HydrophobicContact CG-CD1 4.02Å; P45-Y71 HydrophobicContact CG-CE1 3.64Å; P45-Y71 VanDerWaalsContact O-CE1 3.26Å; P45-Y71 WeakPolarHBondContact O-CE1 3.45Å; P45-Y71 PolarHBondContact O-OH 3.3Å; P45-Y71 VanDerWaalsContact O-OH 3.11Å; P45-I75 HydrophobicContact CB-CD1 3.92Å; P45-I75 HydrophobicContact CG-CD1 3.76Å; P45-M86 HydrophobicContact CB-CE 3.8Å; P45-M86 HydrophobicContact CB-SD 4.39Å
46	P	73.7	Confident	67.8	Low	50 Å²	50	102.6 Å²	102.6	33%	0.325	47%	0.471	S	S	.	.			trans	-57	149	164.1	-13.6	22.7	0	0	0	110.2	K48 Y49 M86	P46-K48 PolarHBondContact O-N 2.94Å; P46-Y49 HydrophobicContact CB-CD2 4.26Å; P46-Y49 HydrophobicContact CG-CD2 3.95Å; P46-Y49 HydrophobicContact CG-CE2 4.21Å; P46-Y49 PolarHBondContact O-N 3.14Å; P46-M86 HydrophobicContact CG-CB 4.06Å; P46-M86 HydrophobicContact CG-CG 4.22Å
47	Y	75.2	Confident	68.5	Low	188 Å²	188	102.6 Å²	102.6	74%	0.737	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-52.7	-30.8	-177.8	-71.7	-77.7	0	0	0	114.3	Y49 C50 Y71	Y47-Y49 PolarHBondContact O-N 3.14Å; Y47-Y49 VanDerWaalsContact O-N 3.14Å; Y47-C50 WeakPolarHBondContact O-CB 2.96Å; Y47-C50 PolarHBondContact O-N 3.21Å; Y47-Y71 WeakPolarHBondContact CD1-OH 3.45Å; Y47-Y71 HydrophobicContact CE1-CE2 4.29Å
48	K	74.1	Confident	69.1	Low	129 Å²	129	105.6 Å²	105.6	56%	0.561	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-56.9	-26.6	176.2	-170.2	179.9	177.8	-173.5	0	113.4	P46 P89	P46-K48 PolarHBondContact O-N 2.94Å; K48-P89 PolarHBondContact NZ-OXT 2.94Å
49	Y	72.3	Confident	69.8	Low	29 Å²	29	108 Å²	108	11%	0.114	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-85.3	-14.8	179.8	-77.3	-88.9	0	0	0	113.4	P46 Y47 E51 K52 S85 M86	P46-Y49 HydrophobicContact CB-CD2 4.26Å; P46-Y49 HydrophobicContact CG-CD2 3.95Å; P46-Y49 HydrophobicContact CG-CE2 4.21Å; P46-Y49 PolarHBondContact O-N 3.14Å; Y47-Y49 PolarHBondContact O-N 3.14Å; Y47-Y49 VanDerWaalsContact O-N 3.14Å; Y49-E51 PolarHBondContact O-N 3.23Å; Y49-K52 HydrophobicContact CD1-CD 4.36Å; Y49-K52 PolarHBondContact O-N 3.41Å; Y49-S85 PolarHBondContact OH-O 3.41Å; Y49-M86 HydrophobicContact CE2-CG 4.37Å
50	C	75.9	Confident	70.4	Confident	16 Å²	16	102.1 Å²	102.1	11%	0.108	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-71.7	-13.6	178.9	-57.9	0	0	0	0	113.5	Y47 R53 C72	Y47-C50 WeakPolarHBondContact O-CB 2.96Å; Y47-C50 PolarHBondContact O-N 3.21Å; C50-R53 WeakPolarHBondContact O-CG 3.43Å; C50-R53 PolarHBondContact O-NE 3.29Å; C50-C72 HydrophobicContact CB-CB 3.57Å; C50-C72 WeakPolarHBondContact CB-SG 3.2Å; C50-C72 WeakPolarHBondContact SG-CB 3.35Å; C50-C72 CovalentContact SG-SG 2.01Å; C50-C72 PolarHBondContact SG-SG 3.41Å
51	E	78.7	Confident	71.2	Confident	171 Å²	171	104.8 Å²	104.8	80%	0.799	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-76.3	-26.9	170.3	-62.6	-174.5	169	0	0	112.2	Y49 R53	Y49-E51 PolarHBondContact O-N 3.23Å; E51-R53 PolarHBondContact O-N 3.4Å
52	K	78.8	Confident	71.4	Confident	85 Å²	85	110 Å²	110	37%	0.37	50%	0.5	S	S	.	.	S	Bend	trans	-85.4	60.3	-177.1	-63.8	-172.9	-178.1	173.3	0	111.7	Y49 I75 C76	Y49-K52 HydrophobicContact CD1-CD 4.36Å; Y49-K52 PolarHBondContact O-N 3.41Å; K52-I75 VanDerWaalsContact O-CA 3.31Å; K52-I75 WeakPolarHBondContact O-CA 3.16Å; K52-C76 PolarHBondContact O-N 3.09Å
53	R	78.9	Confident	71.7	Confident	181 Å²	181	105.5 Å²	105.5	68%	0.683	50%	0.5	S	S	*	.	B	Isolated β-bridge	trans	-74.7	139.9	-178.5	-62	-175.2	-177.8	-162.3	-1	111.9	C50 E51 N74	C50-R53 WeakPolarHBondContact O-CG 3.43Å; C50-R53 PolarHBondContact O-NE 3.29Å; E51-R53 PolarHBondContact O-N 3.4Å; R53-N74 WeakPolarHBondContact CA-O 3.48Å
54	C	78.3	Confident	72.2	Confident	5 Å²	5	107.6 Å²	107.6	3%	0.034	51%	0.51	C	S	.	.			trans	-109.8	155.6	166.9	51.4	0	0	0	0	110.2	C67 N74 I75	C54-C67 HydrophobicContact CB-CB 3.72Å; C54-C67 WeakPolarHBondContact CB-SG 3.42Å; C54-C67 WeakPolarHBondContact SG-CA 3.33Å; C54-C67 WeakPolarHBondContact SG-CB 3Å; C54-C67 CovalentContact SG-SG 2.02Å; C54-C67 PolarHBondContact SG-SG 3.46Å; C54-N74 PolarHBondContact N-O 3.21Å; C54-N74 VanDerWaalsContact O-CB 3.31Å; C54-N74 WeakPolarHBondContact O-CB 3.39Å; C54-I75 PolarHBondContact SG-N 3.47Å; C54-I75 VanDerWaalsContact SG-N 3.43Å; C54-I75 PolarHBondContact SG-O 3.39Å; C54-I75 VanDerWaalsContact SG-O 3.34Å
55	T	71.7	Confident	72.8	Confident	75 Å²	75	101.1 Å²	101.1	46%	0.46	48%	0.479	S	S	.	.			trans	-130.1	162.4	172.4	58.4	0	0	0	0	108.2	I57 R58	T55-I57 PolarHBondContact O-N 2.99Å; T55-R58 PolarHBondContact N-O 2.88Å; T55-R58 CarbonylContact O-C 3.23Å; T55-R58 VanDerWaalsContact O-C 3.23Å; T55-R58 PolarHBondContact O-N 3.42Å; T55-R58 VanDerWaalsContact O-N 3.08Å; T55-R58 WeakPolarHBondContact OG1-CB 3.11Å; T55-R58 PolarHBondContact OG1-N 3.38Å; T55-R58 VanDerWaalsContact OG1-N 3.14Å
56	K	65.4	Low	73.3	Confident	150 Å²	150	104 Å²	104	65%	0.652	50%	0.497	S	S	*	.	S	Bend	trans	-53	-24.2	179	-77	-175.7	173.9	179.9	0	114.5
57	I	60.8	Low	73.5	Confident	161 Å²	161	103.6 Å²	103.6	83%	0.826	50%	0.495	S	S	*	.	S	Bend	trans	-100.7	-32.4	-179.3	-55	165.8	0	0	0	111.3	T55	T55-I57 PolarHBondContact O-N 2.99Å
58	R	62.8	Low	73.7	Confident	197 Å²	197	94.7 Å²	94.7	74%	0.743	46%	0.46	S	S	*	.	S	Bend	trans	-98.2	92.5	174.2	-65.4	-174.3	173.9	-170.6	-1.6	109.5	T55	T55-R58 PolarHBondContact N-O 2.88Å; T55-R58 CarbonylContact O-C 3.23Å; T55-R58 VanDerWaalsContact O-C 3.23Å; T55-R58 PolarHBondContact O-N 3.42Å; T55-R58 VanDerWaalsContact O-N 3.08Å; T55-R58 WeakPolarHBondContact OG1-CB 3.11Å; T55-R58 PolarHBondContact OG1-N 3.38Å; T55-R58 VanDerWaalsContact OG1-N 3.14Å
59	T	69.1	Low	73.9	Confident	116 Å²	116	95.1 Å²	95.1	71%	0.712	46%	0.458	S	S	*	.			trans	-59	162.9	165.3	53.6	0	0	0	0	110.4	I61	T59-I61 PolarHBondContact O-N 3.28Å
60	C	74.7	Confident	74.2	Confident	18 Å²	18	94.2 Å²	94.2	12%	0.122	46%	0.456	C	S	.	.			trans	-61.9	132.7	176.9	-62	0	0	0	0	110.3	R62 H65 C76	C60-R62 PolarHBondContact O-N 3.03Å; C60-R62 VanDerWaalsContact O-N 3.14Å; C60-H65 HydrophobicContact CB-CB 3.65Å; C60-H65 WeakPolarHBondContact CB-O 2.95Å; C60-C76 WeakPolarHBondContact CA-SG 3.31Å; C60-C76 HydrophobicContact CB-CB 3.87Å; C60-C76 WeakPolarHBondContact CB-SG 3.38Å; C60-C76 WeakPolarHBondContact SG-CA 3.38Å; C60-C76 WeakPolarHBondContact SG-CB 3.26Å; C60-C76 CovalentContact SG-SG 2.03Å; C60-C76 PolarHBondContact SG-SG 3.31Å
61	I	75.9	Confident	74.3	Confident	176 Å²	176	98.8 Å²	98.8	90%	0.903	47%	0.471	S	S	*	.	S	Bend	trans	-59.7	-27.4	-179.8	-63.3	167.7	0	0	0	110.9	T59	T59-I61 PolarHBondContact O-N 3.28Å
62	R	72.8	Confident	74.3	Confident	142 Å²	142	92 Å²	92	54%	0.536	44%	0.443	S	S	.	.	S	Bend	trans	-98.8	135.4	-177.4	-66.4	177.9	178.9	-172.2	-3.9	110.4	C60 N64 H65	C60-R62 PolarHBondContact O-N 3.03Å; C60-R62 VanDerWaalsContact O-N 3.14Å; R62-N64 VanDerWaalsContact C-N 3.28Å; R62-N64 PolarHBondContact O-N 3.35Å; R62-H65 HydrophobicContact CB-CB 4.42Å; R62-H65 WeakPolarHBondContact CB-CD2 3.29Å; R62-H65 VanDerWaalsContact CD-CD2 3.43Å; R62-H65 WeakPolarHBondContact CD-CD2 3.49Å; R62-H65 WeakPolarHBondContact CD-NE2 2.98Å; R62-H65 PolarHBondContact NH1-NE2 3.19Å; R62-H65 PolarHBondContact O-N 3.11Å
63	P	68.1	Low	74.4	Confident	127 Å²	127	88.6 Å²	88.6	83%	0.825	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.8	-173.3	25.7	-34.3	0	0	0	114.3
64	N	75.7	Confident	74.6	Confident	77 Å²	77	82 Å²	82	41%	0.412	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	8.9	-179.2	-69.7	2.5	0	0	0	113.9	R62 N79	R62-N64 VanDerWaalsContact C-N 3.28Å; R62-N64 PolarHBondContact O-N 3.35Å; N64-N79 PolarHBondContact O-N 3.28Å; N64-N79 PolarHBondContact O-ND2 3.3Å
65	H	77.1	Confident	74.9	Confident	27 Å²	27	81.8 Å²	81.8	13%	0.125	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.9	-179	-70.4	-102.1	0	0	0	111.4	C60 R62 C76 L77 D78	C60-H65 HydrophobicContact CB-CB 3.65Å; C60-H65 WeakPolarHBondContact CB-O 2.95Å; R62-H65 HydrophobicContact CB-CB 4.42Å; R62-H65 WeakPolarHBondContact CB-CD2 3.29Å; R62-H65 VanDerWaalsContact CD-CD2 3.43Å; R62-H65 WeakPolarHBondContact CD-CD2 3.49Å; R62-H65 WeakPolarHBondContact CD-NE2 2.98Å; R62-H65 PolarHBondContact NH1-NE2 3.19Å; R62-H65 PolarHBondContact O-N 3.11Å; H65-C76 HydrophobicContact CB-CB 4.21Å; H65-L77 CarbonylContact C-O 3.4Å; H65-L77 WeakPolarHBondContact CA-O 3.42Å; H65-L77 WeakPolarHBondContact CB-O 3.28Å; H65-D78 IonicContact CE1-OD2 3.73Å; H65-D78 PolarHBondContact ND1-N 3.05Å; H65-D78 IonicContact NE2-OD2 3.64Å
66	T	78.4	Confident	75.3	Confident	65 Å²	65	79 Å²	79	40%	0.399	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	146.2	169.9	43.3	0	0	0	0	111.1	C76 L77 N79	T66-C76 WeakPolarHBondContact O-CA 3.44Å; T66-L77 PolarHBondContact N-O 3.31Å; T66-L77 PolarHBondContact O-N 3.46Å; T66-N79 VanDerWaalsContact CB-OD1 3.29Å; T66-N79 WeakPolarHBondContact CB-OD1 3.33Å; T66-N79 WeakPolarHBondContact CG2-OD1 3.47Å; T66-N79 PolarHBondContact OG1-OD1 3.24Å
67	C	79.7	Confident	75.9	Confident	40 Å²	40	72 Å²	72	27%	0.27	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.5	171.7	-177.3	0	0	0	0	108.1	C54 I75	C54-C67 HydrophobicContact CB-CB 3.72Å; C54-C67 WeakPolarHBondContact CB-SG 3.42Å; C54-C67 WeakPolarHBondContact SG-CA 3.33Å; C54-C67 WeakPolarHBondContact SG-CB 3Å; C54-C67 CovalentContact SG-SG 2.02Å; C54-C67 PolarHBondContact SG-SG 3.46Å; C67-I75 WeakPolarHBondContact CA-O 3.46Å
68	C	79.1	Confident	76.6	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	156.5	178	67.3	0	0	0	0	112.3	E39 C41 N74 I75	E39-C68 WeakPolarHBondContact O-CB 3.45Å; C41-C68 HydrophobicContact CB-CB 3.75Å; C41-C68 WeakPolarHBondContact CB-SG 2.87Å; C41-C68 WeakPolarHBondContact SG-CB 3.19Å; C41-C68 CovalentContact SG-SG 2.03Å; C41-C68 PolarHBondContact SG-SG 3.46Å; C68-N74 WeakPolarHBondContact O-CA 3.39Å; C68-I75 PolarHBondContact N-O 3.01Å; C68-I75 PolarHBondContact O-N 2.96Å
69	W	78.4	Confident	76.8	Confident	138 Å²	138	60.8 Å²	60.8	52%	0.523	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.1	-179	-172.3	-84.8	0	0	0	111	C41	C41-W69 PolarHBondContact N-O 3.39Å
70	T	78.5	Confident	76.5	Confident	9 Å²	9	62.3 Å²	62.3	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	-175.2	178.1	67.4	0	0	0	0	111	C41 P45 C72 G73 I75	C41-T70 HydrophobicContact CB-CG2 3.91Å; P45-T70 HydrophobicContact CG-CG2 4.23Å; T70-C72 PolarHBondContact O-N 3.19Å; T70-C72 PolarHBondContact OG1-N 3.38Å; T70-G73 PolarHBondContact N-O 3.3Å; T70-G73 WeakPolarHBondContact O-CA 3.42Å; T70-G73 PolarHBondContact O-N 3.19Å; T70-G73 PolarHBondContact OG1-O 3.11Å; T70-I75 HydrophobicContact CG2-CD1 3.79Å; T70-I75 HydrophobicContact CG2-CG1 3.77Å
71	Y	78.2	Confident	75.9	Confident	112 Å²	112	66 Å²	66	44%	0.439	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.1	174.1	84	-90.7	0	0	0	113.3	Q44 P45 Y47 G73	Q44-Y71 HydrophobicContact CG-CD1 4.17Å; Q44-Y71 HydrophobicContact CG-CE1 4.02Å; P45-Y71 HydrophobicContact CG-CD1 4.02Å; P45-Y71 HydrophobicContact CG-CE1 3.64Å; P45-Y71 VanDerWaalsContact O-CE1 3.26Å; P45-Y71 WeakPolarHBondContact O-CE1 3.45Å; P45-Y71 PolarHBondContact O-OH 3.3Å; P45-Y71 VanDerWaalsContact O-OH 3.11Å; Y47-Y71 WeakPolarHBondContact CD1-OH 3.45Å; Y47-Y71 HydrophobicContact CE1-CE2 4.29Å; Y71-G73 VanDerWaalsContact C-N 3.27Å
72	C	77.2	Confident	75.1	Confident	29 Å²	29	59.7 Å²	59.7	20%	0.196	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.7	174.7	-77.7	0	0	0	0	113.6	C50 T70 I75	C50-C72 HydrophobicContact CB-CB 3.57Å; C50-C72 WeakPolarHBondContact CB-SG 3.2Å; C50-C72 WeakPolarHBondContact SG-CB 3.35Å; C50-C72 CovalentContact SG-SG 2.01Å; C50-C72 PolarHBondContact SG-SG 3.41Å; T70-C72 PolarHBondContact O-N 3.19Å; T70-C72 PolarHBondContact OG1-N 3.38Å; C72-I75 HydrophobicContact CB-CG2 4.31Å
73	G	81.8	Confident	74.4	Confident	14 Å²	14	58.1 Å²	58.1	14%	0.144	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.5	-151.6	-170.6	0	0	0	0	0	112.1	T70 Y71 I75	T70-G73 PolarHBondContact N-O 3.3Å; T70-G73 WeakPolarHBondContact O-CA 3.42Å; T70-G73 PolarHBondContact O-N 3.19Å; T70-G73 PolarHBondContact OG1-O 3.11Å; Y71-G73 VanDerWaalsContact C-N 3.27Å; G73-I75 PolarHBondContact O-N 2.78Å
74	N	83.3	Confident	73.8	Confident	43 Å²	43	57.3 Å²	57.3	23%	0.23	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	114.6	-179.8	-73.7	-42.5	0	0	0	111.7	R53 C54 C68	R53-N74 WeakPolarHBondContact CA-O 3.48Å; C54-N74 PolarHBondContact N-O 3.21Å; C54-N74 VanDerWaalsContact O-CB 3.31Å; C54-N74 WeakPolarHBondContact O-CB 3.39Å; C68-N74 WeakPolarHBondContact O-CA 3.39Å
75	I	83.8	Confident	72.9	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	158	177.1	65.4	165.1	0	0	0	111.9	P45 K52 C54 C67 C68 T70 C72 G73	P45-I75 HydrophobicContact CB-CD1 3.92Å; P45-I75 HydrophobicContact CG-CD1 3.76Å; K52-I75 VanDerWaalsContact O-CA 3.31Å; K52-I75 WeakPolarHBondContact O-CA 3.16Å; C54-I75 PolarHBondContact SG-N 3.47Å; C54-I75 VanDerWaalsContact SG-N 3.43Å; C54-I75 PolarHBondContact SG-O 3.39Å; C54-I75 VanDerWaalsContact SG-O 3.34Å; C67-I75 WeakPolarHBondContact CA-O 3.46Å; C68-I75 PolarHBondContact N-O 3.01Å; C68-I75 PolarHBondContact O-N 2.96Å; T70-I75 HydrophobicContact CG2-CD1 3.79Å; T70-I75 HydrophobicContact CG2-CG1 3.77Å; C72-I75 HydrophobicContact CB-CG2 4.31Å; G73-I75 PolarHBondContact O-N 2.78Å
76	C	80.2	Confident	72	Confident	16 Å²	16	55.1 Å²	55.1	11%	0.108	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117.1	174.1	-73.7	0	0	0	0	111.4	K52 C60 H65 T66	K52-C76 PolarHBondContact O-N 3.09Å; C60-C76 WeakPolarHBondContact CA-SG 3.31Å; C60-C76 HydrophobicContact CB-CB 3.87Å; C60-C76 WeakPolarHBondContact CB-SG 3.38Å; C60-C76 WeakPolarHBondContact SG-CA 3.38Å; C60-C76 WeakPolarHBondContact SG-CB 3.26Å; C60-C76 CovalentContact SG-SG 2.03Å; C60-C76 PolarHBondContact SG-SG 3.31Å; H65-C76 HydrophobicContact CB-CB 4.21Å; T66-C76 WeakPolarHBondContact O-CA 3.44Å
77	L	77.3	Confident	71	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.4	179	-164.8	62.1	0	0	0	111.5	H65 T66 P82 M86	H65-L77 CarbonylContact C-O 3.4Å; H65-L77 WeakPolarHBondContact CA-O 3.42Å; H65-L77 WeakPolarHBondContact CB-O 3.28Å; T66-L77 PolarHBondContact N-O 3.31Å; T66-L77 PolarHBondContact O-N 3.46Å; L77-P82 HydrophobicContact CD1-CB 4.33Å; L77-P82 HydrophobicContact CD2-CB 3.4Å; L77-P82 HydrophobicContact CG-CB 3.79Å; L77-M86 HydrophobicContact CD1-CE 3.37Å; L77-M86 HydrophobicContact CD2-CE 4Å; L77-M86 HydrophobicContact CG-CE 4.35Å
78	D	75.6	Confident	69.6	Low	37 Å²	37	62.8 Å²	62.8	20%	0.198	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.3	-178.3	-150.1	-36	0	0	0	111	H65	H65-D78 IonicContact CE1-OD2 3.73Å; H65-D78 PolarHBondContact ND1-N 3.05Å; H65-D78 IonicContact NE2-OD2 3.64Å
79	N	67.4	Low	68.4	Low	85 Å²	85	69.3 Å²	69.3	46%	0.455	36%	0.357	S	S	.	.	S	Bend	trans	-75.8	-30.1	-175.9	-71.4	-25.2	0	0	0	113.3	N64 T66	N64-N79 PolarHBondContact O-N 3.28Å; N64-N79 PolarHBondContact O-ND2 3.3Å; T66-N79 VanDerWaalsContact CB-OD1 3.29Å; T66-N79 WeakPolarHBondContact CB-OD1 3.33Å; T66-N79 WeakPolarHBondContact CG2-OD1 3.47Å; T66-N79 PolarHBondContact OG1-OD1 3.24Å
80	E	63.2	Low	67.9	Low	147 Å²	147	65.9 Å²	65.9	69%	0.687	35%	0.349	S	S	*	.	S	Bend	trans	-75.4	-46.5	-168.9	-61.7	-175.4	148.4	0	0	110.6
81	E	61.9	Low	67.3	Low	97 Å²	97	68.9 Å²	68.9	45%	0.453	36%	0.364	S	S	.	.			trans	-153.4	83.8	-179.4	-64	178.1	123.6	0	0	111.6	L83 K84 S85	E81-L83 PolarHBondContact O-N 3.36Å; E81-L83 VanDerWaalsContact O-N 3.17Å; E81-K84 HydrophobicContact CB-CB 3.69Å; E81-K84 HydrophobicContact CB-CD 4.37Å; E81-K84 VanDerWaalsContact CD-NZ 3.28Å; E81-K84 HydrophobicContact CG-CD 4.43Å; E81-K84 PolarHBondContact O-N 3.26Å; E81-K84 WeakPolarHBondContact OE1-CD 3.45Å; E81-K84 IonicContact OE1-NZ 2.97Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 WeakPolarHBondContact OE2-CD 3.35Å; E81-K84 WeakPolarHBondContact OE2-CE 3.29Å; E81-K84 IonicContact OE2-NZ 2.77Å; E81-K84 PolarHBondContact OE2-NZ 3.35Å; E81-S85 PolarHBondContact O-N 3.04Å; E81-S85 PolarHBondContact O-OG 3.48Å; E81-S85 VanDerWaalsContact O-OG 3.13Å
82	P	59.1	Low	66.7	Low	42 Å²	42	66.5 Å²	66.5	27%	0.273	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.6	-177.3	22.1	-33.4	0	0	0	113.4	V43 L77 S85 M86	V43-P82 HydrophobicContact CG2-CB 4.47Å; L77-P82 HydrophobicContact CD1-CB 4.33Å; L77-P82 HydrophobicContact CD2-CB 3.4Å; L77-P82 HydrophobicContact CG-CB 3.79Å; P82-S85 PolarHBondContact O-OG 3.18Å; P82-M86 WeakPolarHBondContact O-CG 3.41Å
83	L	57.6	Low	66.1	Low	110 Å²	110	68.7 Å²	68.7	58%	0.576	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-34.6	178.8	-84.5	154.3	0	0	0	113.3	V43 E81 M86 L87	V43-L83 HydrophobicContact CG1-CD2 3.93Å; V43-L83 HydrophobicContact CG1-CG 4.15Å; E81-L83 PolarHBondContact O-N 3.36Å; E81-L83 VanDerWaalsContact O-N 3.17Å; L83-M86 PolarHBondContact O-N 3.47Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.38Å
84	K	56.7	Low	65.1	Low	109 Å²	109	72.1 Å²	72.1	47%	0.474	38%	0.384	S	S	.	.	H	α-helix	trans	-78	-37.5	-175.3	-155.9	-174.3	-170.5	174.7	0	111.8	E81 M86 L87 D88	E81-K84 HydrophobicContact CB-CB 3.69Å; E81-K84 HydrophobicContact CB-CD 4.37Å; E81-K84 VanDerWaalsContact CD-NZ 3.28Å; E81-K84 HydrophobicContact CG-CD 4.43Å; E81-K84 PolarHBondContact O-N 3.26Å; E81-K84 WeakPolarHBondContact OE1-CD 3.45Å; E81-K84 IonicContact OE1-NZ 2.97Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 WeakPolarHBondContact OE2-CD 3.35Å; E81-K84 WeakPolarHBondContact OE2-CE 3.29Å; E81-K84 IonicContact OE2-NZ 2.77Å; E81-K84 PolarHBondContact OE2-NZ 3.35Å; K84-M86 PolarHBondContact O-N 3.29Å; K84-L87 PolarHBondContact O-N 3.08Å; K84-L87 VanDerWaalsContact O-N 3.08Å; K84-D88 PolarHBondContact O-N 3.42Å; K84-D88 VanDerWaalsContact O-N 3.1Å
85	S	56.8	Low	63.9	Low	30 Å²	30	74.1 Å²	74.1	21%	0.21	39%	0.394	C	S	.	.	H	α-helix	trans	-64.3	-17.9	170.5	59.9	0	0	0	0	113.8	Y49 E81 P82	Y49-S85 PolarHBondContact OH-O 3.41Å; E81-S85 PolarHBondContact O-N 3.04Å; E81-S85 PolarHBondContact O-OG 3.48Å; E81-S85 VanDerWaalsContact O-OG 3.13Å; P82-S85 PolarHBondContact O-OG 3.18Å
86	M	57.2	Low	62.5	Low	28 Å²	28	79.4 Å²	79.4	14%	0.138	42%	0.422	C	S	.	.	H	α-helix	trans	-91.2	-21	173.1	-67.6	-177.6	-170.3	0	0	113.3	V43 P45 P46 Y49 L77 P82 L83 K84	V43-M86 HydrophobicContact CB-CE 4.21Å; V43-M86 HydrophobicContact CG1-CE 3.83Å; V43-M86 HydrophobicContact CG1-SD 3.55Å; V43-M86 VanDerWaalsContact CG1-SD 3.55Å; P45-M86 HydrophobicContact CB-CE 3.8Å; P45-M86 HydrophobicContact CB-SD 4.39Å; P46-M86 HydrophobicContact CG-CB 4.06Å; P46-M86 HydrophobicContact CG-CG 4.22Å; Y49-M86 HydrophobicContact CE2-CG 4.37Å; L77-M86 HydrophobicContact CD1-CE 3.37Å; L77-M86 HydrophobicContact CD2-CE 4Å; L77-M86 HydrophobicContact CG-CE 4.35Å; P82-M86 WeakPolarHBondContact O-CG 3.41Å; L83-M86 PolarHBondContact O-N 3.47Å; K84-M86 PolarHBondContact O-N 3.29Å
87	L	58	Low	61.1	Low	136 Å²	136	84.2 Å²	84.2	71%	0.712	45%	0.446	S	S	*	.	H	α-helix	trans	-88.4	-27.2	179.2	-76.3	164.7	0	0	0	112.8	L83 K84 P89	L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.38Å; K84-L87 PolarHBondContact O-N 3.08Å; K84-L87 VanDerWaalsContact O-N 3.08Å; L87-P89 WeakPolarHBondContact O-CD 3.46Å
88	D	51.1	Low	59.8	Low	131 Å²	131	90.9 Å²	90.9	70%	0.701	48%	0.482	S	S	*	.			trans	-109.4	98.4	170.9	-93.6	-55.5	0	0	0	110.4	K84	K84-D88 PolarHBondContact O-N 3.42Å; K84-D88 VanDerWaalsContact O-N 3.1Å
89	P	52.9	Low	58.4	Low	139 Å²	139	95.8 Å²	95.8	90%	0.903	51%	0.507	S	S	*	.			trans	-76.2	0	-170.5	28.5	-35.4	0	0	0	117.7	K48 L87	K48-P89 PolarHBondContact NZ-OXT 2.94Å; L87-P89 WeakPolarHBondContact O-CD 3.46Å

Retrieved 89 of 89 residues in 72.4 ms (Link to these results)

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