A0A077Z218_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z218, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 94 aa.

						>A0A077Z218_TRITR|A0A077Z218
MIHPVDVPVLFTERRQYTDENADEVTPLRKNAYGQCVTNKISQRVLPQVVLQRGLTLWGSLFKETSRFPINREEKGKGVHDRKEWDGIIVTIKR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49	Very low	52.1	Low	240 Å²	240	110.6 Å²	110.6	100%	1.182	59%	0.593	S	S	*	*				0	115.3	0	-67.8	172	75	0	0	106.4
2	I	50.5	Low	52	Low	129 Å²	129	108.6 Å²	108.6	66%	0.662	59%	0.587	S	S	*	*			trans	-79.9	125.4	176.6	-64.7	172.4	0	0	0	106.5	D6	I2-D6 HydrophobicContact CG2-CB 3.71Å
3	H	47.1	Very low	51.9	Low	120 Å²	120	110.5 Å²	110.5	56%	0.556	59%	0.59	S	S	*	*			trans	-68.5	144.4	-178.5	-144.3	-94.3	0	0	0	108.4	V5 D6	H3-V5 PolarHBondContact O-N 3.47Å; H3-D6 WeakPolarHBondContact CB-OD2 3.39Å; H3-D6 PolarHBondContact N-OD2 3.21Å; H3-D6 WeakPolarHBondContact O-CB 3.21Å; H3-D6 PolarHBondContact O-N 3.37Å
4	P	59.7	Low	51.7	Low	100 Å²	100	115.4 Å²	115.4	65%	0.649	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-17.3	176.3	20.8	-32.6	0	0	0	113.6
5	V	58.4	Low	51.4	Low	97 Å²	97	121.6 Å²	121.6	59%	0.588	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-20.2	174.3	-175.3	0	0	0	0	112.4	H3 V7 P8	H3-V5 PolarHBondContact O-N 3.47Å; V5-V7 VanDerWaalsContact C-N 3.32Å; V5-P8 WeakPolarHBondContact O-CD 3.32Å; V5-P8 WeakPolarHBondContact O-CG 2.97Å
6	D	49.7	Very low	51.1	Low	76 Å²	76	124.3 Å²	124.3	41%	0.406	62%	0.619	S	S	.	*	H	α-helix	trans	-82.8	-14.7	178.7	-54.7	-33.3	0	0	0	112.1	I2 H3 V9 L10	I2-D6 HydrophobicContact CG2-CB 3.71Å; H3-D6 WeakPolarHBondContact CB-OD2 3.39Å; H3-D6 PolarHBondContact N-OD2 3.21Å; H3-D6 WeakPolarHBondContact O-CB 3.21Å; H3-D6 PolarHBondContact O-N 3.37Å; D6-V9 PolarHBondContact O-N 3.45Å; D6-L10 PolarHBondContact O-N 3.34Å
7	V	55.2	Low	50.5	Low	66 Å²	66	128.1 Å²	128.1	40%	0.4	63%	0.626	S	S	.	*	H	α-helix	trans	-63	-48.5	176.4	-176.6	0	0	0	0	111.7	V5 V9 L10 F11	V5-V7 VanDerWaalsContact C-N 3.32Å; V7-V9 VanDerWaalsContact C-N 3.26Å; V7-V9 PolarHBondContact O-N 3.07Å; V7-L10 PolarHBondContact O-N 3.44Å; V7-F11 HydrophobicContact CG1-CD2 4Å; V7-F11 HydrophobicContact CG1-CE2 3.84Å; V7-F11 WeakPolarHBondContact O-CD2 3.35Å; V7-F11 PolarHBondContact O-N 3.33Å
8	P	52.4	Low	50.1	Low	71 Å²	71	127 Å²	127	46%	0.461	63%	0.628	S	S	.	*	H	α-helix	trans	-63.3	-27.1	176.8	19	-30.2	0	0	0	114.1	V5 F11 T12	V5-P8 WeakPolarHBondContact O-CD 3.32Å; V5-P8 WeakPolarHBondContact O-CG 2.97Å; P8-F11 CarbonylContact O-C 3.51Å; P8-F11 WeakPolarHBondContact O-CA 3.27Å; P8-F11 WeakPolarHBondContact O-CB 3.45Å; P8-F11 PolarHBondContact O-N 3.09Å; P8-T12 PolarHBondContact O-N 2.78Å; P8-T12 PolarHBondContact O-OG1 3.12Å
9	V	54.2	Low	50	Low	80 Å²	80	126.3 Å²	126.3	49%	0.485	63%	0.627	S	S	.	*	H	α-helix	trans	-65.9	-41.4	176.2	-177.8	0	0	0	0	110.7	D6 V7 F11 T12 E13	D6-V9 PolarHBondContact O-N 3.45Å; V7-V9 VanDerWaalsContact C-N 3.26Å; V7-V9 PolarHBondContact O-N 3.07Å; V9-F11 PolarHBondContact O-N 3.44Å; V9-T12 WeakPolarHBondContact CA-OG1 3.44Å; V9-T12 PolarHBondContact O-N 3.3Å; V9-T12 VanDerWaalsContact O-N 3.12Å; V9-T12 PolarHBondContact O-OG1 3.45Å; V9-E13 PolarHBondContact O-N 3.18Å; V9-E13 VanDerWaalsContact O-N 3.09Å
10	L	49.2	Very low	50	Low	104 Å²	104	128.6 Å²	128.6	55%	0.545	64%	0.636	S	S	.	*	H	α-helix	trans	-64.7	-28.2	171.7	-66.3	172.1	0	0	0	112.3	D6 V7 R14	D6-L10 PolarHBondContact O-N 3.34Å; V7-L10 PolarHBondContact O-N 3.44Å; L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 PolarHBondContact O-N 3.41Å
11	F	47.8	Very low	49.9	Very low	134 Å²	134	129.4 Å²	129.4	59%	0.588	64%	0.643	S	S	*	*	H	α-helix	trans	-75.5	-31.6	172.2	-86.2	-84.9	0	0	0	112.9	V7 P8 V9 R15	V7-F11 HydrophobicContact CG1-CD2 4Å; V7-F11 HydrophobicContact CG1-CE2 3.84Å; V7-F11 WeakPolarHBondContact O-CD2 3.35Å; V7-F11 PolarHBondContact O-N 3.33Å; P8-F11 CarbonylContact O-C 3.51Å; P8-F11 WeakPolarHBondContact O-CA 3.27Å; P8-F11 WeakPolarHBondContact O-CB 3.45Å; P8-F11 PolarHBondContact O-N 3.09Å; V9-F11 PolarHBondContact O-N 3.44Å; F11-R15 PolarHBondContact O-N 3.37Å
12	T	50.6	Low	49.9	Very low	86 Å²	86	121 Å²	121	53%	0.528	61%	0.611	S	S	.	*	H	α-helix	trans	-72.3	-41.5	177.1	47.5	0	0	0	0	112.4	P8 V9 R14 R15	P8-T12 PolarHBondContact O-N 2.78Å; P8-T12 PolarHBondContact O-OG1 3.12Å; V9-T12 WeakPolarHBondContact CA-OG1 3.44Å; V9-T12 PolarHBondContact O-N 3.3Å; V9-T12 VanDerWaalsContact O-N 3.12Å; V9-T12 PolarHBondContact O-OG1 3.45Å; T12-R14 PolarHBondContact O-N 2.85Å; T12-R15 PolarHBondContact O-N 2.8Å
13	E	50.4	Low	49.7	Very low	133 Å²	133	122.6 Å²	122.6	62%	0.621	62%	0.621	S	S	*	*	H	α-helix	trans	-64.3	-33.2	175.7	-69.6	-170.9	167.5	0	0	111.6	V9 R15 Q16	V9-E13 PolarHBondContact O-N 3.18Å; V9-E13 VanDerWaalsContact O-N 3.09Å; E13-R15 PolarHBondContact O-N 2.71Å; E13-Q16 PolarHBondContact O-N 3.09Å
14	R	50.1	Low	50	Low	179 Å²	179	124.4 Å²	124.4	68%	0.675	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-74	-11.6	179.7	-153.6	171.9	178.5	177.6	-0.5	114	L10 T12	L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 PolarHBondContact O-N 3.41Å; T12-R14 PolarHBondContact O-N 2.85Å
15	R	46.6	Very low	49.6	Very low	209 Å²	209	125.9 Å²	125.9	79%	0.789	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-79.9	-13.2	176.2	-81.1	-174.7	172.6	-170.2	-1.5	114.1	F11 T12 E13 Y17	F11-R15 PolarHBondContact O-N 3.37Å; T12-R15 PolarHBondContact O-N 2.8Å; E13-R15 PolarHBondContact O-N 2.71Å; R15-Y17 PolarHBondContact O-N 2.96Å
16	Q	46.6	Very low	49.4	Very low	164 Å²	164	124.7 Å²	124.7	77%	0.766	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-82.1	-6.3	-175.5	-85	-175.9	-15	0	0	115.6	E13 T18	E13-Q16 PolarHBondContact O-N 3.09Å; Q16-T18 PolarHBondContact O-N 3.17Å
17	Y	41.7	Very low	49.4	Very low	189 Å²	189	126.2 Å²	126.2	74%	0.741	64%	0.644	S	S	*	*			trans	-100.1	71.7	172.3	-67.7	-81.8	0	0	0	110.1	R15 D19	R15-Y17 PolarHBondContact O-N 2.96Å; Y17-D19 PolarHBondContact O-N 2.81Å
18	T	41.9	Very low	49.4	Very low	109 Å²	109	126.7 Å²	126.7	67%	0.669	64%	0.644	S	S	*	*			trans	-61.5	120	162	42.4	0	0	0	0	108.7	Q16	Q16-T18 PolarHBondContact O-N 3.17Å
19	D	48.1	Very low	49.5	Very low	114 Å²	114	133.2 Å²	133.2	61%	0.61	66%	0.659	S	S	*	*			trans	-95.4	117.7	171.4	-157.5	-12.5	0	0	0	106.9	Y17 N21	Y17-D19 PolarHBondContact O-N 2.81Å; D19-N21 PolarHBondContact O-N 3.16Å
20	E	50.8	Low	49.6	Very low	172 Å²	172	138 Å²	138	80%	0.804	67%	0.673	S	S	*	*	S	Bend	trans	-79.3	12.6	-163.6	-44.1	-159.3	173.9	0	0	113.3
21	N	47.2	Very low	50.1	Low	146 Å²	146	136.7 Å²	136.7	78%	0.781	67%	0.667	S	S	*	*			trans	-116.1	46	-174.7	-70.6	-39.2	0	0	0	113.2	D19	D19-N21 PolarHBondContact O-N 3.16Å
22	A	50.8	Low	51.2	Low	62 Å²	62	135.3 Å²	135.3	51%	0.512	68%	0.68	S	S	.	*			trans	-101.5	28.5	-173.8	0	0	0	0	0	115.6	E24 K40	A22-E24 PolarHBondContact O-N 2.99Å; A22-K40 VanDerWaalsContact C-NZ 3.27Å; A22-K40 PolarHBondContact O-NZ 3.35Å
23	D	46	Very low	52	Low	163 Å²	163	141.7 Å²	141.7	87%	0.872	70%	0.696	S	S	*	*			trans	-72.9	-2.5	-178.2	-95.6	-12.6	0	0	0	116.6	V25	D23-V25 PolarHBondContact O-N 3.06Å; D23-V25 VanDerWaalsContact O-N 3.16Å
24	E	52.5	Low	52.6	Low	158 Å²	158	137 Å²	137	74%	0.738	68%	0.683	S	S	*	*			trans	-85	95.3	174	-141.2	175.2	-167.6	0	0	111.2	A22 T26 K40	A22-E24 PolarHBondContact O-N 2.99Å; E24-T26 PolarHBondContact O-N 2.8Å; E24-K40 WeakPolarHBondContact O-CE 3.33Å; E24-K40 PolarHBondContact O-NZ 3.47Å
25	V	51.2	Low	53.2	Low	131 Å²	131	134.4 Å²	134.4	79%	0.794	68%	0.679	S	S	*	*			trans	-69	89	178.9	-176	0	0	0	0	109.7	D23	D23-V25 PolarHBondContact O-N 3.06Å; D23-V25 VanDerWaalsContact O-N 3.16Å
26	T	55.1	Low	53.6	Low	72 Å²	72	126.6 Å²	126.6	44%	0.442	66%	0.656	S	S	.	*			trans	-68.3	128.3	171.6	-35.2	0	0	0	0	108.9	E24 L28	E24-T26 PolarHBondContact O-N 2.8Å; T26-L28 PolarHBondContact O-N 3.18Å
27	P	50.1	Low	54.1	Low	109 Å²	109	123.7 Å²	123.7	71%	0.708	65%	0.649	S	S	*	*			trans	-64	124.9	-171.1	22.2	-32.3	0	0	0	111.8	R29	P27-R29 PolarHBondContact O-N 2.91Å
28	L	53.3	Low	54.9	Low	76 Å²	76	117.7 Å²	117.7	40%	0.398	63%	0.632	S	S	.	*			trans	-60.7	100.9	-177.9	-68.3	154.5	0	0	0	110.3	T26 K30 Q35 C36 V37	T26-L28 PolarHBondContact O-N 3.18Å; L28-K30 PolarHBondContact O-N 2.76Å; L28-Q35 HydrophobicContact CB-CG 3.87Å; L28-Q35 HydrophobicContact CD1-CG 4.38Å; L28-Q35 HydrophobicContact CD2-CG 4.2Å; L28-Q35 HydrophobicContact CG-CG 4.36Å; L28-C36 WeakPolarHBondContact CD2-O 3.43Å; L28-V37 HydrophobicContact CD2-CB 4.35Å; L28-V37 HydrophobicContact CD2-CG1 4.43Å; L28-V37 HydrophobicContact CD2-CG2 4.35Å
29	R	56.5	Low	55.6	Low	207 Å²	207	118.8 Å²	118.8	78%	0.781	63%	0.634	S	S	*	*			trans	-71.6	124.4	175.9	-125.6	-177.2	173.3	167.5	-1	109.1	P27 C36	P27-R29 PolarHBondContact O-N 2.91Å; R29-C36 VanDerWaalsContact O-CB 3.3Å; R29-C36 WeakPolarHBondContact O-CB 3.4Å; R29-C36 PolarHBondContact O-N 2.92Å; R29-C36 VanDerWaalsContact O-N 3.13Å
30	K	54.9	Low	56	Low	180 Å²	180	118.1 Å²	118.1	78%	0.783	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.4	126.8	173.1	-66.6	-180	-180	179.1	0	109.1	L28	L28-K30 PolarHBondContact O-N 2.76Å
31	N	59.6	Low	56.3	Low	78 Å²	78	117.6 Å²	117.6	42%	0.417	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.7	174.6	162.2	72.2	0.8	0	0	0	109.2	Y33 G34 C36	N31-Y33 PolarHBondContact O-N 3.07Å; N31-Y33 PolarHBondContact OD1-N 3.18Å; N31-Y33 VanDerWaalsContact OD1-N 3.15Å; N31-G34 PolarHBondContact N-O 2.95Å; N31-G34 PolarHBondContact O-N 3.23Å; N31-G34 PolarHBondContact OD1-N 3.39Å; N31-G34 VanDerWaalsContact OD1-N 3.1Å; N31-G34 PolarHBondContact OD1-O 3.3Å; N31-C36 PolarHBondContact ND2-SG 3.37Å
32	A	72.1	Confident	56.7	Low	104 Å²	104	113.3 Å²	113.3	86%	0.86	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-17.9	-179.1	0	0	0	0	0	114.1
33	Y	66.7	Low	57	Low	220 Å²	220	119.5 Å²	119.5	86%	0.863	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	1	-178.1	-57.3	-75.3	0	0	0	113.4	N31	N31-Y33 PolarHBondContact O-N 3.07Å; N31-Y33 PolarHBondContact OD1-N 3.18Å; N31-Y33 VanDerWaalsContact OD1-N 3.15Å
34	G	62.3	Low	57.7	Low	34 Å²	34	118.7 Å²	118.7	35%	0.351	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	128.5	-161.8	176.2	0	0	0	0	0	114.3	N31 C36	N31-G34 PolarHBondContact N-O 2.95Å; N31-G34 PolarHBondContact O-N 3.23Å; N31-G34 PolarHBondContact OD1-N 3.39Å; N31-G34 VanDerWaalsContact OD1-N 3.1Å; N31-G34 PolarHBondContact OD1-O 3.3Å; G34-C36 PolarHBondContact O-N 2.85Å
35	Q	63.7	Low	58.2	Low	125 Å²	125	117.5 Å²	117.5	58%	0.584	62%	0.615	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.6	110	-176.8	-167.2	167.4	19.4	0	0	109.6	L28 V37	L28-Q35 HydrophobicContact CB-CG 3.87Å; L28-Q35 HydrophobicContact CD1-CG 4.38Å; L28-Q35 HydrophobicContact CD2-CG 4.2Å; L28-Q35 HydrophobicContact CG-CG 4.36Å; Q35-V37 PolarHBondContact O-N 2.9Å
36	C	53.8	Low	58.8	Low	46 Å²	46	115 Å²	115	31%	0.311	60%	0.597	S	S	.	*			trans	-76.6	110.1	170.3	-68.8	0	0	0	0	108.4	L28 R29 N31 G34 T38	L28-C36 WeakPolarHBondContact CD2-O 3.43Å; R29-C36 VanDerWaalsContact O-CB 3.3Å; R29-C36 WeakPolarHBondContact O-CB 3.4Å; R29-C36 PolarHBondContact O-N 2.92Å; R29-C36 VanDerWaalsContact O-N 3.13Å; N31-C36 PolarHBondContact ND2-SG 3.37Å; G34-C36 PolarHBondContact O-N 2.85Å; C36-T38 PolarHBondContact O-N 2.85Å
37	V	58.7	Low	59.7	Low	102 Å²	102	115.7 Å²	115.7	62%	0.618	60%	0.602	S	S	*	*			trans	-63.7	105.7	159.1	-168.9	0	0	0	0	105.9	L28 Q35 N39	L28-V37 HydrophobicContact CD2-CB 4.35Å; L28-V37 HydrophobicContact CD2-CG1 4.43Å; L28-V37 HydrophobicContact CD2-CG2 4.35Å; Q35-V37 PolarHBondContact O-N 2.9Å; V37-N39 PolarHBondContact O-N 3.23Å
38	T	57.8	Low	60.9	Low	63 Å²	63	117.3 Å²	117.3	39%	0.387	60%	0.6	S	S	.	*			trans	-66	89.6	166.9	52.2	0	0	0	0	105.7	C36 K40	C36-T38 PolarHBondContact O-N 2.85Å; T38-K40 PolarHBondContact O-N 3.46Å
39	N	56.9	Low	62	Low	133 Å²	133	117.6 Å²	117.6	71%	0.711	61%	0.605	S	S	*	*			trans	-55.4	114.7	166.2	-77.4	-23	0	0	0	104.7	V37 I41	V37-N39 PolarHBondContact O-N 3.23Å; N39-I41 VanDerWaalsContact C-N 3.3Å; N39-I41 PolarHBondContact O-N 2.76Å
40	K	56.6	Low	63	Low	99 Å²	99	111.2 Å²	111.2	43%	0.43	59%	0.589	S	S	.	*			trans	-47.6	106.2	170.8	-71.8	178.3	175.6	176.2	0	104.8	A22 E24 T38 S42	A22-K40 VanDerWaalsContact C-NZ 3.27Å; A22-K40 PolarHBondContact O-NZ 3.35Å; E24-K40 WeakPolarHBondContact O-CE 3.33Å; E24-K40 PolarHBondContact O-NZ 3.47Å; T38-K40 PolarHBondContact O-N 3.46Å; K40-S42 PolarHBondContact O-N 2.94Å
41	I	56.5	Low	64	Low	162 Å²	162	106 Å²	106	83%	0.831	57%	0.569	S	S	*	*			trans	-65.8	100.5	175.8	-62.2	172.4	0	0	0	101.7	N39 Q43	N39-I41 VanDerWaalsContact C-N 3.3Å; N39-I41 PolarHBondContact O-N 2.76Å; I41-Q43 PolarHBondContact O-N 3.24Å; I41-Q43 VanDerWaalsContact O-N 3.09Å
42	S	56.1	Low	64.9	Low	56 Å²	56	108.3 Å²	108.3	39%	0.392	58%	0.577	S	S	.	*			trans	-46.1	125.7	175.8	177.8	0	0	0	0	106	K40 R44	K40-S42 PolarHBondContact O-N 2.94Å; S42-R44 PolarHBondContact O-N 3.29Å; S42-R44 VanDerWaalsContact OG-CD 3.32Å; S42-R44 WeakPolarHBondContact OG-CD 3.39Å; S42-R44 WeakPolarHBondContact OG-CG 3.2Å; S42-R44 PolarHBondContact OG-NE 2.93Å
43	Q	57.7	Low	65.2	Low	192 Å²	192	111.5 Å²	111.5	90%	0.897	57%	0.567	S	S	*	*			trans	-66.3	31.6	175.3	-67.9	-177.4	-1.3	0	0	111.5	I41 V45	I41-Q43 PolarHBondContact O-N 3.24Å; I41-Q43 VanDerWaalsContact O-N 3.09Å; Q43-V45 PolarHBondContact O-N 3.46Å
44	R	59.8	Low	65.9	Low	145 Å²	145	102.8 Å²	102.8	55%	0.547	54%	0.544	S	S	.	.			trans	-62.2	90.7	164.8	-76.6	167.9	-164.9	-166.7	9	106.6	S42 L46	S42-R44 PolarHBondContact O-N 3.29Å; S42-R44 VanDerWaalsContact OG-CD 3.32Å; S42-R44 WeakPolarHBondContact OG-CD 3.39Å; S42-R44 WeakPolarHBondContact OG-CG 3.2Å; S42-R44 PolarHBondContact OG-NE 2.93Å; R44-L46 VanDerWaalsContact C-N 3.29Å; R44-L46 PolarHBondContact O-N 2.74Å
45	V	62.4	Low	66.9	Low	133 Å²	133	107.2 Å²	107.2	81%	0.806	56%	0.559	S	S	*	*			trans	-62.4	98.9	165.8	-177.7	0	0	0	0	105.7	Q43	Q43-V45 PolarHBondContact O-N 3.46Å
46	L	64.7	Low	67.8	Low	80 Å²	80	105.4 Å²	105.4	42%	0.419	56%	0.557	S	S	.	*			trans	-56.8	131.8	169	-85.3	148.2	0	0	0	107.3	R44 Q48 V50 L51	R44-L46 VanDerWaalsContact C-N 3.29Å; R44-L46 PolarHBondContact O-N 2.74Å; L46-Q48 PolarHBondContact O-N 2.87Å; L46-V50 HydrophobicContact CD2-CB 4.3Å; L46-V50 HydrophobicContact CD2-CG1 3.75Å; L46-L51 HydrophobicContact CB-CD1 4.28Å; L46-L51 HydrophobicContact CB-CD2 3.81Å; L46-L51 HydrophobicContact CB-CG 3.73Å; L46-L51 HydrophobicContact CD1-CD2 3.99Å
47	P	72.5	Confident	69.2	Low	85 Å²	85	108.6 Å²	108.6	55%	0.552	57%	0.57	S	S	*	*			trans	-52	138.2	176	-25.6	32.8	0	0	0	110.2	V49 V50 L51	P47-V49 PolarHBondContact O-N 2.81Å; P47-V50 HydrophobicContact CB-CG2 4.24Å; P47-V50 HydrophobicContact CG-CG2 4.36Å; P47-V50 WeakPolarHBondContact O-CA 3.4Å; P47-V50 WeakPolarHBondContact O-CB 3.34Å; P47-V50 PolarHBondContact O-N 3Å; P47-L51 PolarHBondContact O-N 2.97Å
48	Q	77.3	Confident	70.5	Confident	144 Å²	144	112.1 Å²	112.1	67%	0.673	57%	0.572	S	S	*	*	H	α-helix	trans	-51.5	-34.9	-174	-173.9	66.2	-3.5	0	0	112.9	L46 V50 L51 Q52	L46-Q48 PolarHBondContact O-N 2.87Å; Q48-V50 PolarHBondContact O-N 3.48Å; Q48-L51 PolarHBondContact O-N 2.85Å; Q48-Q52 WeakPolarHBondContact O-CB 3.48Å; Q48-Q52 PolarHBondContact O-N 3.02Å
49	V	76.1	Confident	71.5	Confident	82 Å²	82	110.8 Å²	110.8	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-61.8	-40.9	176.4	-177.6	0	0	0	0	112.1	P47 R53	P47-V49 PolarHBondContact O-N 2.81Å; V49-R53 WeakPolarHBondContact O-CB 3.2Å; V49-R53 VanDerWaalsContact O-CG 3.27Å; V49-R53 WeakPolarHBondContact O-CG 3.2Å; V49-R53 PolarHBondContact O-N 2.98Å
50	V	76.6	Confident	72.7	Confident	72 Å²	72	107.2 Å²	107.2	44%	0.436	56%	0.557	S	S	.	*	H	α-helix	trans	-71.1	-40.7	178.9	-176.9	0	0	0	0	110.3	L46 P47 Q48 R53 G54	L46-V50 HydrophobicContact CD2-CB 4.3Å; L46-V50 HydrophobicContact CD2-CG1 3.75Å; P47-V50 HydrophobicContact CB-CG2 4.24Å; P47-V50 HydrophobicContact CG-CG2 4.36Å; P47-V50 WeakPolarHBondContact O-CA 3.4Å; P47-V50 WeakPolarHBondContact O-CB 3.34Å; P47-V50 PolarHBondContact O-N 3Å; Q48-V50 PolarHBondContact O-N 3.48Å; V50-R53 PolarHBondContact O-N 3.27Å; V50-G54 PolarHBondContact O-N 2.87Å
51	L	77.1	Confident	73.8	Confident	70 Å²	70	107.1 Å²	107.1	37%	0.366	56%	0.561	S	S	.	*	H	α-helix	trans	-61.1	-47.4	174.5	-72.5	173.4	0	0	0	111.6	L46 P47 Q48 R53 G54 L55	L46-L51 HydrophobicContact CB-CD1 4.28Å; L46-L51 HydrophobicContact CB-CD2 3.81Å; L46-L51 HydrophobicContact CB-CG 3.73Å; L46-L51 HydrophobicContact CD1-CD2 3.99Å; P47-L51 PolarHBondContact O-N 2.97Å; Q48-L51 PolarHBondContact O-N 2.85Å; L51-R53 PolarHBondContact O-N 3.43Å; L51-G54 PolarHBondContact O-N 2.86Å; L51-L55 WeakPolarHBondContact O-CB 3.45Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.41Å
52	Q	78	Confident	74.8	Confident	127 Å²	127	103.3 Å²	103.3	59%	0.593	54%	0.538	S	S	*	.	H	α-helix	trans	-62.3	-43.4	179.6	-171.8	178.8	6.8	0	0	111.8	Q48 T56	Q48-Q52 WeakPolarHBondContact O-CB 3.48Å; Q48-Q52 PolarHBondContact O-N 3.02Å; Q52-T56 WeakPolarHBondContact O-CB 3.41Å; Q52-T56 PolarHBondContact O-N 3.23Å; Q52-T56 PolarHBondContact O-OG1 3.13Å
53	R	78.8	Confident	75.8	Confident	172 Å²	172	105.7 Å²	105.7	65%	0.649	54%	0.542	S	S	*	.	H	α-helix	trans	-62.3	-45.7	174.3	-74	175.9	-178.2	-176.9	1.6	111.4	V49 V50 L51 T56 L57	V49-R53 WeakPolarHBondContact O-CB 3.2Å; V49-R53 VanDerWaalsContact O-CG 3.27Å; V49-R53 WeakPolarHBondContact O-CG 3.2Å; V49-R53 PolarHBondContact O-N 2.98Å; V50-R53 PolarHBondContact O-N 3.27Å; L51-R53 PolarHBondContact O-N 3.43Å; R53-T56 PolarHBondContact O-N 3.35Å; R53-L57 WeakPolarHBondContact O-CB 3.29Å; R53-L57 WeakPolarHBondContact O-CG 3.43Å; R53-L57 PolarHBondContact O-N 3.3Å
54	G	81.4	Confident	76.8	Confident	37 Å²	37	104 Å²	104	38%	0.381	53%	0.534	S	S	.	.	H	α-helix	trans	-59.6	-47.1	177.7	0	0	0	0	0	112.6	V50 L51 T56 L57 W58	V50-G54 PolarHBondContact O-N 2.87Å; L51-G54 PolarHBondContact O-N 2.86Å; G54-T56 PolarHBondContact O-N 2.97Å; G54-L57 PolarHBondContact O-N 2.95Å; G54-W58 VanDerWaalsContact O-CB 3.29Å; G54-W58 WeakPolarHBondContact O-CB 3.3Å; G54-W58 PolarHBondContact O-N 3.32Å
55	L	83.2	Confident	77.6	Confident	127 Å²	127	102.1 Å²	102.1	67%	0.665	54%	0.538	S	S	*	.	H	α-helix	trans	-62.9	-40.6	176.5	-72.9	171	0	0	0	112.2	L51 W58 G59	L51-L55 WeakPolarHBondContact O-CB 3.45Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.41Å; L55-W58 PolarHBondContact O-N 3.49Å; L55-G59 PolarHBondContact O-N 3.15Å
56	T	81.9	Confident	77.9	Confident	86 Å²	86	97 Å²	97	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-47.5	178.1	-55.4	0	0	0	0	110.8	Q52 R53 G54 W58 G59 S60	Q52-T56 WeakPolarHBondContact O-CB 3.41Å; Q52-T56 PolarHBondContact O-N 3.23Å; Q52-T56 PolarHBondContact O-OG1 3.13Å; R53-T56 PolarHBondContact O-N 3.35Å; G54-T56 PolarHBondContact O-N 2.97Å; T56-W58 VanDerWaalsContact C-N 3.35Å; T56-W58 PolarHBondContact O-N 3.42Å; T56-G59 PolarHBondContact O-N 2.95Å; T56-S60 PolarHBondContact O-N 2.77Å; T56-S60 PolarHBondContact O-OG 3.4Å
57	L	83.4	Confident	78.1	Confident	114 Å²	114	105 Å²	105	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-62.2	-43	176.5	-71.9	170.8	0	0	0	111.6	R53 G54 G59 S60 L61	R53-L57 WeakPolarHBondContact O-CB 3.29Å; R53-L57 WeakPolarHBondContact O-CG 3.43Å; R53-L57 PolarHBondContact O-N 3.3Å; G54-L57 PolarHBondContact O-N 2.95Å; L57-G59 VanDerWaalsContact C-N 3.35Å; L57-S60 PolarHBondContact O-N 3.47Å; L57-L61 WeakPolarHBondContact O-CB 3.35Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 2.97Å
58	W	84.7	Confident	77.7	Confident	175 Å²	175	108.2 Å²	108.2	66%	0.663	54%	0.539	S	S	*	.	H	α-helix	trans	-64.4	-40.6	177.8	-159	87.9	0	0	0	111.5	G54 L55 T56 L61 F62	G54-W58 VanDerWaalsContact O-CB 3.29Å; G54-W58 WeakPolarHBondContact O-CB 3.3Å; G54-W58 PolarHBondContact O-N 3.32Å; L55-W58 PolarHBondContact O-N 3.49Å; T56-W58 VanDerWaalsContact C-N 3.35Å; T56-W58 PolarHBondContact O-N 3.42Å; W58-L61 PolarHBondContact O-N 3.1Å; W58-F62 HydrophobicContact CE3-CB 4.23Å; W58-F62 HydrophobicContact CH2-CD2 4.03Å; W58-F62 HydrophobicContact CZ3-CB 4.2Å; W58-F62 HydrophobicContact CZ3-CD2 4.1Å; W58-F62 HydrophobicContact CZ3-CG 4.21Å; W58-F62 WeakPolarHBondContact O-CB 3.43Å; W58-F62 PolarHBondContact O-N 3.06Å
59	G	80.4	Confident	76.9	Confident	35 Å²	35	106.3 Å²	106.3	36%	0.361	54%	0.538	S	S	.	.	H	α-helix	trans	-62.6	-41.9	173.7	0	0	0	0	0	113.1	L55 T56 L57 K63	L55-G59 PolarHBondContact O-N 3.15Å; T56-G59 PolarHBondContact O-N 2.95Å; L57-G59 VanDerWaalsContact C-N 3.35Å; G59-K63 WeakPolarHBondContact O-CB 3.42Å; G59-K63 PolarHBondContact O-N 3.15Å
60	S	80.8	Confident	76.2	Confident	59 Å²	59	106.4 Å²	106.4	41%	0.413	54%	0.535	S	S	.	.	H	α-helix	trans	-64.8	-48.6	174.8	-70.3	0	0	0	0	112.1	T56 L57 F62 K63 E64	T56-S60 PolarHBondContact O-N 2.77Å; T56-S60 PolarHBondContact O-OG 3.4Å; L57-S60 PolarHBondContact O-N 3.47Å; S60-F62 VanDerWaalsContact C-N 3.34Å; S60-F62 PolarHBondContact O-N 2.93Å; S60-K63 PolarHBondContact O-N 3.48Å; S60-E64 WeakPolarHBondContact O-CG 3.37Å; S60-E64 PolarHBondContact O-N 2.67Å
61	L	80.4	Confident	75.4	Confident	97 Å²	97	109 Å²	109	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-62.3	-42.4	177.2	-74.2	171.6	0	0	0	111.6	L57 W58 K63 E64 T65	L57-L61 WeakPolarHBondContact O-CB 3.35Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 2.97Å; W58-L61 PolarHBondContact O-N 3.1Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 3.47Å; L61-E64 PolarHBondContact O-N 3.34Å; L61-T65 WeakPolarHBondContact O-CB 3.33Å; L61-T65 WeakPolarHBondContact O-CG2 3.15Å; L61-T65 PolarHBondContact O-N 2.98Å; L61-T65 PolarHBondContact O-OG1 3.01Å
62	F	77.5	Confident	74.3	Confident	82 Å²	82	114.6 Å²	114.6	36%	0.36	56%	0.563	S	S	.	*	H	α-helix	trans	-60.1	-46.7	175.8	-178	-97.9	0	0	0	109.8	W58 S60 E64 T65 S66 I70	W58-F62 HydrophobicContact CE3-CB 4.23Å; W58-F62 HydrophobicContact CH2-CD2 4.03Å; W58-F62 HydrophobicContact CZ3-CB 4.2Å; W58-F62 HydrophobicContact CZ3-CD2 4.1Å; W58-F62 HydrophobicContact CZ3-CG 4.21Å; W58-F62 WeakPolarHBondContact O-CB 3.43Å; W58-F62 PolarHBondContact O-N 3.06Å; S60-F62 VanDerWaalsContact C-N 3.34Å; S60-F62 PolarHBondContact O-N 2.93Å; F62-E64 VanDerWaalsContact C-N 3.34Å; F62-E64 PolarHBondContact O-N 2.87Å; F62-T65 PolarHBondContact O-N 2.69Å; F62-S66 VanDerWaalsContact O-CA 3.31Å; F62-S66 WeakPolarHBondContact O-CA 2.94Å; F62-S66 WeakPolarHBondContact O-CB 3.31Å; F62-S66 PolarHBondContact O-N 3.3Å; F62-S66 PolarHBondContact O-OG 3.22Å; F62-I70 HydrophobicContact CD1-CD1 4.03Å; F62-I70 HydrophobicContact CE1-CD1 4.02Å; F62-I70 HydrophobicContact CE1-CG1 4.5Å
63	K	77.3	Confident	73.2	Confident	106 Å²	106	113.1 Å²	113.1	46%	0.461	56%	0.556	S	S	.	*	H	α-helix	trans	-63.2	-37.5	178	-175.4	-177.5	177	-154.7	0	113.4	G59 S60 L61 I70	G59-K63 WeakPolarHBondContact O-CB 3.42Å; G59-K63 PolarHBondContact O-N 3.15Å; S60-K63 PolarHBondContact O-N 3.48Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 3.47Å; K63-I70 HydrophobicContact CB-CD1 4.1Å; K63-I70 HydrophobicContact CG-CD1 4.08Å
64	E	77.6	Confident	71.8	Confident	157 Å²	157	113.6 Å²	113.6	73%	0.734	57%	0.566	S	S	*	*	H	α-helix	trans	-72.7	-35.7	178	-74.8	174.1	-168.3	0	0	112.6	S60 L61 F62	S60-E64 WeakPolarHBondContact O-CG 3.37Å; S60-E64 PolarHBondContact O-N 2.67Å; L61-E64 PolarHBondContact O-N 3.34Å; F62-E64 VanDerWaalsContact C-N 3.34Å; F62-E64 PolarHBondContact O-N 2.87Å
65	T	76.5	Confident	70.3	Confident	104 Å²	104	117.7 Å²	117.7	64%	0.638	57%	0.573	S	S	*	*	H	α-helix	trans	-100.4	-15.5	-174.5	60.7	0	0	0	0	113.9	L61 F62 R67	L61-T65 WeakPolarHBondContact O-CB 3.33Å; L61-T65 WeakPolarHBondContact O-CG2 3.15Å; L61-T65 PolarHBondContact O-N 2.98Å; L61-T65 PolarHBondContact O-OG1 3.01Å; F62-T65 PolarHBondContact O-N 2.69Å; T65-R67 PolarHBondContact O-N 3.19Å
66	S	69.4	Low	68.2	Low	26 Å²	26	114.4 Å²	114.4	18%	0.182	57%	0.57	C	S	.	*			trans	-69.3	117.5	-178.1	64.3	0	0	0	0	109.5	F62 F68	F62-S66 VanDerWaalsContact O-CA 3.31Å; F62-S66 WeakPolarHBondContact O-CA 2.94Å; F62-S66 WeakPolarHBondContact O-CB 3.31Å; F62-S66 PolarHBondContact O-N 3.3Å; F62-S66 PolarHBondContact O-OG 3.22Å; S66-F68 PolarHBondContact O-N 3.43Å; S66-F68 PolarHBondContact OG-O 3.34Å
67	R	68.7	Low	66.5	Low	249 Å²	249	120.6 Å²	120.6	94%	0.94	59%	0.59	S	S	*	*			trans	-70.4	-9.3	164.2	-67.4	-178.5	176.5	-178.7	-1.8	112.8	T65 P69	T65-R67 PolarHBondContact O-N 3.19Å; R67-P69 WeakPolarHBondContact O-CD 3.46Å
68	F	65.3	Low	64.6	Low	152 Å²	152	117.5 Å²	117.5	67%	0.667	59%	0.585	S	S	*	*	S	Bend	trans	-73.5	121.5	173.2	-61.6	-73	0	0	0	107.7	S66 I70	S66-F68 PolarHBondContact O-N 3.43Å; S66-F68 PolarHBondContact OG-O 3.34Å; F68-I70 VanDerWaalsContact C-N 3.29Å; F68-I70 PolarHBondContact O-N 2.79Å
69	P	59.9	Low	62.7	Low	103 Å²	103	116.2 Å²	116.2	67%	0.669	60%	0.596	S	S	*	*			trans	-60.6	102.2	169.7	25.8	-31.3	0	0	0	106.4	R67 N71	R67-P69 WeakPolarHBondContact O-CD 3.46Å; P69-N71 PolarHBondContact O-N 2.76Å
70	I	60.5	Low	60.9	Low	84 Å²	84	121.5 Å²	121.5	43%	0.431	61%	0.612	S	S	.	*			trans	-68.7	88.2	161.7	-59.1	171	0	0	0	102.9	F62 K63 F68 R72	F62-I70 HydrophobicContact CD1-CD1 4.03Å; F62-I70 HydrophobicContact CE1-CD1 4.02Å; F62-I70 HydrophobicContact CE1-CG1 4.5Å; K63-I70 HydrophobicContact CB-CD1 4.1Å; K63-I70 HydrophobicContact CG-CD1 4.08Å; F68-I70 VanDerWaalsContact C-N 3.29Å; F68-I70 PolarHBondContact O-N 2.79Å; I70-R72 PolarHBondContact O-N 2.74Å
71	N	59.5	Low	59.2	Low	127 Å²	127	125.4 Å²	125.4	68%	0.679	63%	0.628	S	S	*	*			trans	-53.5	101.8	166	-77.3	-18.6	0	0	0	104.7	P69 E73	P69-N71 PolarHBondContact O-N 2.76Å; N71-E73 PolarHBondContact O-N 2.75Å
72	R	55.6	Low	57.4	Low	188 Å²	188	131.2 Å²	131.2	71%	0.709	64%	0.643	S	S	*	*			trans	-63.8	80.2	160.1	-80.9	178.6	155.1	179.4	-10.7	104.1	I70 E74	I70-R72 PolarHBondContact O-N 2.74Å; R72-E74 PolarHBondContact O-N 3.26Å
73	E	54.4	Low	55.7	Low	96 Å²	96	134.4 Å²	134.4	45%	0.449	66%	0.656	S	S	.	*			trans	-60.7	90	154.7	-83.5	-179.4	-155.4	0	0	104.2	N71 K75 K93	N71-E73 PolarHBondContact O-N 2.75Å; E73-K75 HydrophobicContact CB-CG 4.29Å; E73-K75 PolarHBondContact O-N 2.8Å; E73-K75 VanDerWaalsContact OE2-CD 3.29Å; E73-K75 WeakPolarHBondContact OE2-CD 3.17Å; E73-K75 WeakPolarHBondContact OE2-CE 3.29Å; E73-K75 IonicContact OE2-NZ 2.75Å; E73-K75 PolarHBondContact OE2-NZ 2.93Å; E73-K93 VanDerWaalsContact CD-NZ 3.32Å; E73-K93 IonicContact OE1-NZ 2.76Å; E73-K93 PolarHBondContact OE1-NZ 3.41Å; E73-K93 WeakPolarHBondContact OE2-CE 3.48Å; E73-K93 IonicContact OE2-NZ 3.24Å; E73-K93 PolarHBondContact OE2-NZ 2.79Å
74	E	48.9	Very low	53.7	Low	181 Å²	181	137.2 Å²	137.2	85%	0.846	67%	0.671	S	S	*	*			trans	-55.3	81.1	148.8	-71	-174.6	168.6	0	0	105.8	R72 G76	R72-E74 PolarHBondContact O-N 3.26Å; E74-G76 PolarHBondContact O-N 3.03Å
75	K	50	Low	52.1	Low	123 Å²	123	138.8 Å²	138.8	54%	0.535	67%	0.671	S	S	.	*			trans	-77.7	77.8	173.1	-105.9	177.9	171.8	150.6	0	108	E73 K93	E73-K75 HydrophobicContact CB-CG 4.29Å; E73-K75 PolarHBondContact O-N 2.8Å; E73-K75 VanDerWaalsContact OE2-CD 3.29Å; E73-K75 WeakPolarHBondContact OE2-CD 3.17Å; E73-K75 WeakPolarHBondContact OE2-CE 3.29Å; E73-K75 IonicContact OE2-NZ 2.75Å; E73-K75 PolarHBondContact OE2-NZ 2.93Å; K75-K93 VanDerWaalsContact NZ-CD 3.29Å
76	G	40	Very low	50.7	Low	59 Å²	59	141.6 Å²	141.6	61%	0.608	68%	0.682	S	S	*	*			trans	-46.4	135.5	145.1	0	0	0	0	0	109.7	E74 G78	E74-G76 PolarHBondContact O-N 3.03Å; G76-G78 PolarHBondContact O-N 2.92Å
77	K	45	Very low	49.8	Very low	216 Å²	216	143.8 Å²	143.8	94%	0.939	71%	0.709	S	S	*	*			trans	1.9	78.2	160.2	-58.3	178.4	-179	-179.1	0	115.3
78	G	43.7	Very low	48.8	Very low	49 Å²	49	137.5 Å²	137.5	51%	0.505	69%	0.693	S	S	.	*			trans	-99.5	112.9	166.1	0	0	0	0	0	108.9	G76 H80	G76-G78 PolarHBondContact O-N 2.92Å; G78-H80 PolarHBondContact O-N 2.89Å; G78-H80 VanDerWaalsContact O-N 3.08Å
79	V	44.5	Very low	47.9	Very low	147 Å²	147	136.9 Å²	136.9	89%	0.891	70%	0.695	S	S	*	*			trans	-53.8	112.3	177.3	176.5	0	0	0	0	109.2	D81	V79-D81 PolarHBondContact O-N 2.75Å
80	H	43.9	Very low	47.1	Very low	147 Å²	147	136.5 Å²	136.5	68%	0.681	69%	0.69	S	S	*	*			trans	-74.2	101.1	179.8	-79.5	-90.9	0	0	0	109.8	G78 R82	G78-H80 PolarHBondContact O-N 2.89Å; G78-H80 VanDerWaalsContact O-N 3.08Å; H80-R82 PolarHBondContact O-N 2.84Å; H80-R82 VanDerWaalsContact O-N 3.13Å
81	D	44	Very low	46.5	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	70%	0.698	S	S	*	*			trans	-80.2	92.2	165.5	-147.5	20.4	0	0	0	107.8	V79 K83	V79-D81 PolarHBondContact O-N 2.75Å; D81-K83 PolarHBondContact O-N 2.76Å
82	R	43.5	Very low	46	Very low	218 Å²	218	137.9 Å²	137.9	82%	0.823	70%	0.701	S	S	*	*			trans	-72.5	113.9	178.8	-77.5	-177	-177.5	-178.3	1	108.6	H80	H80-R82 PolarHBondContact O-N 2.84Å; H80-R82 VanDerWaalsContact O-N 3.13Å
83	K	42	Very low	45.6	Very low	149 Å²	149	135.3 Å²	135.3	65%	0.648	70%	0.695	S	S	*	*			trans	-110.8	108.4	162.9	-70.7	-168.7	177.9	-175.9	0	109.2	D81	D81-K83 PolarHBondContact O-N 2.76Å
84	E	35.7	Very low	45.2	Very low	166 Å²	166	145.5 Å²	145.5	78%	0.776	73%	0.729	S	S	*	*			trans	-75.5	117.2	175	-173.3	169.1	-163.8	0	0	108.3
85	W	42.9	Very low	45.1	Very low	189 Å²	189	143.7 Å²	143.7	72%	0.716	72%	0.723	S	S	*	*	B	Isolated β-bridge	trans	-117.3	113.5	168.3	-73.2	82.5	0	0	0	107	G87 I88	W85-G87 VanDerWaalsContact C-N 3.35Å; W85-G87 PolarHBondContact O-N 3.24Å; W85-I88 PolarHBondContact O-N 3.18Å
86	D	47.9	Very low	44.8	Very low	163 Å²	163	144.8 Å²	144.8	87%	0.872	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	29.6	62.6	168.7	-63.2	-26.4	0	0	0	115	I88	D86-I88 VanDerWaalsContact C-N 3.29Å; D86-I88 PolarHBondContact O-N 3.13Å
87	G	49.9	Very low	45.1	Very low	73 Å²	73	149.6 Å²	149.6	75%	0.753	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.8	-3.1	171	0	0	0	0	0	116.3	W85	W85-G87 VanDerWaalsContact C-N 3.35Å; W85-G87 PolarHBondContact O-N 3.24Å
88	I	46.9	Very low	45.1	Very low	116 Å²	116	145.6 Å²	145.6	60%	0.595	73%	0.728	S	S	*	*	B	Isolated β-bridge	trans	-111.1	103.8	177.9	-52.3	178.8	0	0	0	108.9	W85 D86 V90	W85-I88 PolarHBondContact O-N 3.18Å; D86-I88 VanDerWaalsContact C-N 3.29Å; D86-I88 PolarHBondContact O-N 3.13Å; I88-V90 VanDerWaalsContact C-N 3.35Å; I88-V90 HydrophobicContact CB-CG2 4.41Å; I88-V90 HydrophobicContact CG2-CG2 3.66Å; I88-V90 PolarHBondContact O-N 3.34Å
89	I	46.3	Very low	45.2	Very low	140 Å²	140	151.7 Å²	151.7	72%	0.718	74%	0.742	S	S	*	*			trans	-71.6	92.4	173.2	-57.4	175.1	0	0	0	108.2
90	V	45.2	Very low	45.2	Very low	94 Å²	94	152 Å²	152	57%	0.57	73%	0.732	S	S	*	*			trans	-91.7	107.9	173	-172.5	0	0	0	0	108.8	I88 I92	I88-V90 VanDerWaalsContact C-N 3.35Å; I88-V90 HydrophobicContact CB-CG2 4.41Å; I88-V90 HydrophobicContact CG2-CG2 3.66Å; I88-V90 PolarHBondContact O-N 3.34Å; V90-I92 HydrophobicContact CG1-CG1 4.11Å; V90-I92 PolarHBondContact O-N 3.22Å
91	T	46.6	Very low	45.3	Very low	97 Å²	97	152.4 Å²	152.4	60%	0.595	74%	0.736	S	S	*	*			trans	-81.3	98.2	174.7	-48.5	0	0	0	0	108.7	K93	T91-K93 PolarHBondContact O-N 3.08Å
92	I	50.3	Low	45.4	Very low	144 Å²	144	153.2 Å²	153.2	74%	0.738	74%	0.735	S	S	*	*			trans	-80.2	115.5	176.9	-57.7	176.2	0	0	0	108.6	V90	V90-I92 HydrophobicContact CG1-CG1 4.11Å; V90-I92 PolarHBondContact O-N 3.22Å
93	K	46.6	Very low	45.5	Very low	134 Å²	134	147.8 Å²	147.8	58%	0.583	73%	0.727	S	S	*	*			trans	-76.9	120.9	168.1	-65.4	-174.5	174	-165.3	0	108	E73 K75 T91	E73-K93 VanDerWaalsContact CD-NZ 3.32Å; E73-K93 IonicContact OE1-NZ 2.76Å; E73-K93 PolarHBondContact OE1-NZ 3.41Å; E73-K93 WeakPolarHBondContact OE2-CE 3.48Å; E73-K93 IonicContact OE2-NZ 3.24Å; E73-K93 PolarHBondContact OE2-NZ 2.79Å; K75-K93 VanDerWaalsContact NZ-CD 3.29Å; T91-K93 PolarHBondContact O-N 3.08Å
94	R	46.4	Very low	45.9	Very low	309 Å²	309	147.7 Å²	147.7	100%	1.166	74%	0.735	S	S	*	*			trans	-84.6	0	154.7	-81.2	-170.8	178.6	-176.2	0.4	109.2

Retrieved 94 of 94 residues in 175 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).