A0A060YTT7_ONCMY Loading...

Cholecystokinin a

AlphaFold DB , UniProt , Accession A0A060YTT7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC118944827, Length 132 aa.

						>A0A060YTT7_ONCMY|A0A060YTT7|LOC118944827
MNAGICVCVLLAAFSGSSLGRPSHSQDEDKPEPPQLDSVMSPQHTRHTRSAPSSGQLIPFSKPAEDEAEDPRTSLRELLARLISRKGSLQRSSSLSSRASGPGPSHKIKDRDYLGWMDFGRRSAEEYEEYSS
					

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	62.8	Low	80.4	Confident	188 Å²	188	99.1 Å²	99.1	93%	0.926	59%	0.588	S	S	*	*				0	-19.2	0	-65.5	167.8	81.2	0	0	113.2
2	N	70.4	Confident	80.8	Confident	127 Å²	127	96.4 Å²	96.4	68%	0.679	59%	0.585	S	S	*	*	H	α-helix	trans	-83	-13.5	-174.9	-54.4	-20.6	0	0	0	115.1	I5 C6	N2-I5 PolarHBondContact O-N 2.92Å; N2-C6 PolarHBondContact O-N 2.74Å
3	A	73.6	Confident	81.1	Confident	70 Å²	70	93.5 Å²	93.5	58%	0.579	58%	0.578	S	S	*	*	H	α-helix	trans	-65.2	-38.5	178.5	0	0	0	0	0	112.5	C6 V7	A3-C6 WeakPolarHBondContact O-CB 3.32Å; A3-C6 PolarHBondContact O-N 2.85Å; A3-V7 WeakPolarHBondContact O-CG2 3.21Å; A3-V7 PolarHBondContact O-N 2.78Å
4	G	80.9	Confident	80.8	Confident	43 Å²	43	97.6 Å²	97.6	44%	0.443	58%	0.584	S	S	.	*	H	α-helix	trans	-65.2	-41.7	177.3	0	0	0	0	0	112.3	C6 V7 C8	G4-C6 VanDerWaalsContact C-N 3.31Å; G4-C6 PolarHBondContact O-N 3.04Å; G4-V7 PolarHBondContact O-N 3.31Å; G4-C8 PolarHBondContact O-N 3.23Å; G4-C8 PolarHBondContact O-SG 2.81Å
5	I	84.3	Confident	80.6	Confident	104 Å²	104	96 Å²	96	53%	0.533	58%	0.579	S	S	.	*	H	α-helix	trans	-62	-40.6	177.7	-60.2	159.4	0	0	0	110.6	N2 C8 V9	N2-I5 PolarHBondContact O-N 2.92Å; I5-C8 PolarHBondContact O-N 2.93Å; I5-V9 HydrophobicContact CG2-CG2 4.49Å; I5-V9 VanDerWaalsContact O-CG2 3.3Å; I5-V9 WeakPolarHBondContact O-CG2 3.16Å; I5-V9 PolarHBondContact O-N 3Å
6	C	79.6	Confident	80	Confident	73 Å²	73	93.5 Å²	93.5	49%	0.493	58%	0.579	S	S	.	*	H	α-helix	trans	-60.1	-47.2	175.4	-174.9	0	0	0	0	112.2	N2 A3 G4 C8 V9 L10	N2-C6 PolarHBondContact O-N 2.74Å; A3-C6 WeakPolarHBondContact O-CB 3.32Å; A3-C6 PolarHBondContact O-N 2.85Å; G4-C6 VanDerWaalsContact C-N 3.31Å; G4-C6 PolarHBondContact O-N 3.04Å; C6-C8 VanDerWaalsContact C-N 3.34Å; C6-C8 PolarHBondContact O-N 3.26Å; C6-V9 PolarHBondContact O-N 2.9Å; C6-L10 WeakPolarHBondContact O-CD1 3.44Å; C6-L10 PolarHBondContact O-N 3.08Å
7	V	85.9	Confident	79.1	Confident	82 Å²	82	93.3 Å²	93.3	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-62.4	-41.6	177.6	176.1	0	0	0	0	111.1	A3 G4 L10 L11	A3-V7 WeakPolarHBondContact O-CG2 3.21Å; A3-V7 PolarHBondContact O-N 2.78Å; G4-V7 PolarHBondContact O-N 3.31Å; V7-L10 PolarHBondContact O-N 3.33Å; V7-L11 HydrophobicContact CG1-CD1 3.78Å; V7-L11 HydrophobicContact CG1-CG 4.47Å; V7-L11 WeakPolarHBondContact O-CB 3.43Å; V7-L11 WeakPolarHBondContact O-CG 3.13Å; V7-L11 PolarHBondContact O-N 2.9Å
8	C	82.8	Confident	78.1	Confident	84 Å²	84	92.1 Å²	92.1	57%	0.568	58%	0.577	S	S	*	*	H	α-helix	trans	-62.5	-42.3	176.6	-65.7	0	0	0	0	112.6	G4 I5 C6 L11 A12	G4-C8 PolarHBondContact O-N 3.23Å; G4-C8 PolarHBondContact O-SG 2.81Å; I5-C8 PolarHBondContact O-N 2.93Å; C6-C8 VanDerWaalsContact C-N 3.34Å; C6-C8 PolarHBondContact O-N 3.26Å; C8-L11 PolarHBondContact O-N 3.42Å; C8-A12 WeakPolarHBondContact O-CB 3.35Å; C8-A12 PolarHBondContact O-N 3.48Å
9	V	88.7	Confident	77	Confident	95 Å²	95	95.1 Å²	95.1	58%	0.576	59%	0.588	S	S	*	*	H	α-helix	trans	-66.4	-41.3	177.8	173.5	0	0	0	0	111.3	I5 C6 A12 A13	I5-V9 HydrophobicContact CG2-CG2 4.49Å; I5-V9 VanDerWaalsContact O-CG2 3.3Å; I5-V9 WeakPolarHBondContact O-CG2 3.16Å; I5-V9 PolarHBondContact O-N 3Å; C6-V9 PolarHBondContact O-N 2.9Å; V9-A12 PolarHBondContact O-N 2.84Å; V9-A13 PolarHBondContact O-N 3.25Å
10	L	88.3	Confident	75.9	Confident	115 Å²	115	93.3 Å²	93.3	60%	0.602	59%	0.589	S	S	*	*	H	α-helix	trans	-62.5	-44.8	175.7	-80.4	154.2	0	0	0	112.2	C6 V7 A13 F14	C6-L10 WeakPolarHBondContact O-CD1 3.44Å; C6-L10 PolarHBondContact O-N 3.08Å; V7-L10 PolarHBondContact O-N 3.33Å; L10-A13 PolarHBondContact O-N 3.19Å; L10-F14 WeakPolarHBondContact O-CB 3.34Å; L10-F14 PolarHBondContact O-N 3.14Å
11	L	87.6	Confident	74.4	Confident	109 Å²	109	99.5 Å²	99.5	57%	0.571	60%	0.601	S	S	*	*	H	α-helix	trans	-63.9	-42.1	177	-79	162.6	0	0	0	112	V7 C8 F14 S15	V7-L11 HydrophobicContact CG1-CD1 3.78Å; V7-L11 HydrophobicContact CG1-CG 4.47Å; V7-L11 WeakPolarHBondContact O-CB 3.43Å; V7-L11 WeakPolarHBondContact O-CG 3.13Å; V7-L11 PolarHBondContact O-N 2.9Å; C8-L11 PolarHBondContact O-N 3.42Å; L11-F14 PolarHBondContact O-N 3.24Å; L11-S15 VanDerWaalsContact O-CB 3.3Å; L11-S15 WeakPolarHBondContact O-CB 3.42Å; L11-S15 PolarHBondContact O-N 2.83Å
12	A	85.3	Confident	73.5	Confident	67 Å²	67	96 Å²	96	55%	0.554	59%	0.593	S	S	*	*	H	α-helix	trans	-63.2	-44	177.4	0	0	0	0	0	111.8	C8 V9 S15 G16	C8-A12 WeakPolarHBondContact O-CB 3.35Å; C8-A12 PolarHBondContact O-N 3.48Å; V9-A12 PolarHBondContact O-N 2.84Å; A12-S15 PolarHBondContact O-N 2.87Å; A12-G16 PolarHBondContact O-N 2.74Å; A12-G16 VanDerWaalsContact O-N 3.12Å
13	A	83.8	Confident	72.2	Confident	59 Å²	59	95 Å²	95	49%	0.488	60%	0.595	S	S	.	*	H	α-helix	trans	-62.2	-45.6	174.6	0	0	0	0	0	111.6	V9 L10 S15 G16 S17	V9-A13 PolarHBondContact O-N 3.25Å; L10-A13 PolarHBondContact O-N 3.19Å; A13-S15 PolarHBondContact O-N 2.74Å; A13-G16 PolarHBondContact O-N 2.92Å; A13-S17 PolarHBondContact O-N 3.45Å; A13-S17 PolarHBondContact O-OG 3.39Å; A13-S17 VanDerWaalsContact O-OG 3.11Å
14	F	76.9	Confident	70.5	Confident	151 Å²	151	99.7 Å²	99.7	66%	0.662	61%	0.605	S	S	*	*	H	α-helix	trans	-64.3	-40.5	179.2	-169	-99.5	0	0	0	112.6	L10 L11 G16 S17 S18	L10-F14 WeakPolarHBondContact O-CB 3.34Å; L10-F14 PolarHBondContact O-N 3.14Å; L11-F14 PolarHBondContact O-N 3.24Å; F14-G16 VanDerWaalsContact C-N 3.29Å; F14-G16 PolarHBondContact O-N 3.1Å; F14-S17 PolarHBondContact O-N 3.5Å; F14-S18 PolarHBondContact O-N 3.04Å; F14-S18 PolarHBondContact O-OG 2.83Å
15	S	78.2	Confident	68.4	Low	73 Å²	73	102.8 Å²	102.8	51%	0.51	62%	0.62	S	S	.	*	H	α-helix	trans	-65.1	-32.1	176.6	-171.6	0	0	0	0	112.6	L11 A12 A13 S18 L19	L11-S15 VanDerWaalsContact O-CB 3.3Å; L11-S15 WeakPolarHBondContact O-CB 3.42Å; L11-S15 PolarHBondContact O-N 2.83Å; A12-S15 PolarHBondContact O-N 2.87Å; A13-S15 PolarHBondContact O-N 2.74Å; S15-S18 PolarHBondContact O-OG 3.28Å; S15-S18 VanDerWaalsContact O-OG 3.08Å; S15-L19 WeakPolarHBondContact O-CD1 3.4Å
16	G	70.6	Confident	66.4	Low	56 Å²	56	105.5 Å²	105.5	58%	0.577	63%	0.63	S	S	*	*	H	α-helix	trans	-74.3	-36.4	173.1	0	0	0	0	0	112.5	A12 A13 F14	A12-G16 PolarHBondContact O-N 2.74Å; A12-G16 VanDerWaalsContact O-N 3.12Å; A13-G16 PolarHBondContact O-N 2.92Å; F14-G16 VanDerWaalsContact C-N 3.29Å; F14-G16 PolarHBondContact O-N 3.1Å
17	S	65	Low	64	Low	90 Å²	90	108.9 Å²	108.9	63%	0.629	64%	0.644	S	S	*	*	H	α-helix	trans	-76.9	-24	179.2	-58.1	0	0	0	0	114	A13 F14 L19 G20	A13-S17 PolarHBondContact O-N 3.45Å; A13-S17 PolarHBondContact O-OG 3.39Å; A13-S17 VanDerWaalsContact O-OG 3.11Å; F14-S17 PolarHBondContact O-N 3.5Å; S17-L19 PolarHBondContact O-N 3.28Å; S17-G20 PolarHBondContact O-N 2.61Å
18	S	60.5	Low	61.9	Low	72 Å²	72	113.3 Å²	113.3	50%	0.503	66%	0.659	S	S	.	*	G	3₁₀ helix	trans	-69.8	-18.7	179.2	58.4	0	0	0	0	114	F14 S15 G20	F14-S18 PolarHBondContact O-N 3.04Å; F14-S18 PolarHBondContact O-OG 2.83Å; S15-S18 PolarHBondContact O-OG 3.28Å; S15-S18 VanDerWaalsContact O-OG 3.08Å; S18-G20 VanDerWaalsContact C-N 3.3Å
19	L	58.5	Low	59.6	Low	149 Å²	149	116.4 Å²	116.4	78%	0.78	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-83	-5.7	174.9	-78.9	90.2	0	0	0	113.4	S15 S17	S15-L19 WeakPolarHBondContact O-CD1 3.4Å; S17-L19 PolarHBondContact O-N 3.28Å
20	G	55	Low	56.9	Low	59 Å²	59	121.1 Å²	121.1	61%	0.608	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-98.6	7.4	-176.2	0	0	0	0	0	115.6	S17 S18 P22	S17-G20 PolarHBondContact O-N 2.61Å; S18-G20 VanDerWaalsContact C-N 3.3Å; G20-P22 WeakPolarHBondContact O-CD 3.17Å
21	R	42.9	Very low	54.8	Low	223 Å²	223	120.7 Å²	120.7	84%	0.842	69%	0.686	S	S	*	*			trans	-77	114.6	170.3	-97.9	172.9	87.3	169.4	3.1	107.9	S23	R21-S23 PolarHBondContact O-N 2.8Å
22	P	44.4	Very low	52.2	Low	116 Å²	116	124 Å²	124	75%	0.753	70%	0.699	S	S	*	*			trans	-58.8	115.8	163.8	25.5	-30.5	0	0	0	106.2	G20 H24	G20-P22 WeakPolarHBondContact O-CD 3.17Å; P22-H24 PolarHBondContact O-N 3.18Å
23	S	44.2	Very low	50.4	Low	105 Å²	105	125 Å²	125	73%	0.734	70%	0.7	S	S	*	*			trans	-54	97.5	157.8	42.4	0	0	0	0	106.3	R21 S25	R21-S23 PolarHBondContact O-N 2.8Å; S23-S25 PolarHBondContact O-N 2.84Å
24	H	37.8	Very low	48.4	Very low	168 Å²	168	127.9 Å²	127.9	78%	0.778	71%	0.713	S	S	*	*			trans	-66.7	81	165.5	179.5	-74.3	0	0	0	106.5	P22 Q26	P22-H24 PolarHBondContact O-N 3.18Å; H24-Q26 PolarHBondContact O-N 3.39Å
25	S	36.8	Very low	46.3	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	72%	0.716	S	S	*	*			trans	-74.1	109.1	169.5	55	0	0	0	0	106.9	S23	S23-S25 PolarHBondContact O-N 2.84Å
26	Q	41.5	Very low	44.5	Very low	161 Å²	161	133.1 Å²	133.1	75%	0.752	74%	0.737	S	S	*	*			trans	-79.1	132.5	169.5	-164.7	-174.3	-25.7	0	0	108.5	H24	H24-Q26 PolarHBondContact O-N 3.39Å
27	D	30.3	Very low	42.8	Very low	145 Å²	145	136.4 Å²	136.4	78%	0.775	74%	0.741	S	S	*	*			trans	94	129.1	151.4	-126.5	9.5	0	0	0	120.4
28	E	40.5	Very low	41.3	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.813	75%	0.748	S	S	*	*			trans	-82.5	143.3	-176.3	-59.2	-119.8	111.6	0	0	111.1
29	D	34.3	Very low	40	Very low	150 Å²	150	140.5 Å²	140.5	80%	0.802	76%	0.764	S	S	*	*				161	103.9	118.3	-120.1	-28.6	0	0	0	112.8
30	K	32.9	Very low	38.9	Very low	194 Å²	194	141.6 Å²	141.6	84%	0.843	77%	0.767	S	S	*	*			trans	62.5	168.6	142.1	-119.5	-166.1	166.3	174.8	0	121.7
31	P	43.3	Very low	38.3	Very low	105 Å²	105	143.4 Å²	143.4	68%	0.682	77%	0.77	S	S	*	*				-121.3	172	-108.7	40.5	-22.9	0	0	0	117.2
32	E	34.3	Very low	38.3	Very low	179 Å²	179	138.5 Å²	138.5	84%	0.836	77%	0.768	S	S	*	*			trans	88	154.2	159.3	-85.2	-77.9	104.1	0	0	119.5
33	P	46.8	Very low	38.3	Very low	89 Å²	89	140.6 Å²	140.6	58%	0.578	77%	0.767	S	S	*	*			trans	-119.1	178.2	-130.4	37.4	-16.3	0	0	0	113.4
34	P	41.6	Very low	38	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	77%	0.772	S	S	*	*				-146.7	132.9	108.1	32.2	-13.9	0	0	0	112.5
35	Q	33	Very low	38.4	Very low	152 Å²	152	140.6 Å²	140.6	71%	0.71	76%	0.762	S	S	*	*				46.7	96.7	91.4	-159	-179.6	43.5	0	0	114.9	D37	Q35-D37 PolarHBondContact NE2-OD2 2.88Å
36	L	40.8	Very low	38.6	Very low	183 Å²	183	146.5 Å²	146.5	96%	0.958	77%	0.768	S	S	*	*			trans	-136.3	89	140.6	-77.3	-178.7	0	0	0	107.8
37	D	34.9	Very low	39	Very low	124 Å²	124	146.6 Å²	146.6	66%	0.663	77%	0.768	S	S	*	*			trans	-65	162	162	-68.2	-55.1	0	0	0	110.8	Q35	Q35-D37 PolarHBondContact NE2-OD2 2.88Å
38	S	33.2	Very low	39.8	Very low	111 Å²	111	145.9 Å²	145.9	78%	0.776	77%	0.769	S	S	*	*			trans	89	110.4	164.7	-141.3	0	0	0	0	113.7
39	V	33	Very low	40.1	Very low	138 Å²	138	149.3 Å²	149.3	84%	0.836	77%	0.774	S	S	*	*				-144.2	144.5	56.5	172	0	0	0	0	112
40	M	35.7	Very low	40.8	Very low	171 Å²	171	148.2 Å²	148.2	84%	0.842	78%	0.779	S	S	*	*			trans	-53	141.1	-177.2	-57.7	174.4	65.4	0	0	115.5
41	S	41.9	Very low	41.4	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	77%	0.772	S	S	*	*			trans	-6.4	148.3	143.1	-134.2	0	0	0	0	117.1
42	P	42.1	Very low	41.5	Very low	121 Å²	121	144 Å²	144	79%	0.786	78%	0.779	S	S	*	*				-137.1	143.5	62.2	28.3	-7.2	0	0	0	116.1	H44	P42-H44 PolarHBondContact O-N 3.33Å; P42-H44 VanDerWaalsContact O-N 3.16Å
43	Q	45.6	Very low	42.2	Very low	159 Å²	159	141.3 Å²	141.3	74%	0.743	78%	0.779	S	S	*	*			trans	-41.2	110.9	154.8	-63.5	173.6	-22.5	0	0	111.6	T45	Q43-T45 PolarHBondContact O-N 2.73Å
44	H	37	Very low	42.1	Very low	181 Å²	181	142 Å²	142	84%	0.838	79%	0.786	S	S	*	*			trans	-97.3	76.4	158.7	-141.3	-65.8	0	0	0	109.1	P42 R46	P42-H44 PolarHBondContact O-N 3.33Å; P42-H44 VanDerWaalsContact O-N 3.16Å; H44-R46 PolarHBondContact O-N 2.81Å
45	T	46.6	Very low	42.2	Very low	93 Å²	93	139.1 Å²	139.1	57%	0.571	78%	0.778	S	S	*	*			trans	-54.8	92.2	163	26	0	0	0	0	110	Q43 H47	Q43-T45 PolarHBondContact O-N 2.73Å; T45-H47 PolarHBondContact O-N 3.43Å; T45-H47 VanDerWaalsContact O-N 3.11Å
46	R	41.3	Very low	42.8	Very low	232 Å²	232	140.4 Å²	140.4	88%	0.875	78%	0.784	S	S	*	*			trans	-84	74.6	163.2	-151.8	173	-175.9	154	0.7	108.9	H44 T48	H44-R46 PolarHBondContact O-N 2.81Å; R46-T48 PolarHBondContact O-N 3.44Å
47	H	50.7	Low	43.2	Very low	163 Å²	163	139.1 Å²	139.1	76%	0.755	78%	0.777	S	S	*	*			trans	-69	116	164.6	-99.4	-92	0	0	0	108.9	T45	T45-H47 PolarHBondContact O-N 3.43Å; T45-H47 VanDerWaalsContact O-N 3.11Å
48	T	46	Very low	43.8	Very low	129 Å²	129	139.2 Å²	139.2	79%	0.791	78%	0.776	S	S	*	*			trans	-172.7	86.6	145.6	11.4	0	0	0	0	112.3	R46	R46-T48 PolarHBondContact O-N 3.44Å
49	R	48	Very low	44.2	Very low	246 Å²	246	138.8 Å²	138.8	93%	0.928	77%	0.771	S	S	*	*				174.6	94	122.9	-96.1	175.6	148.6	179.5	-6.8	108.7	A51	R49-A51 PolarHBondContact O-N 3.41Å
50	S	47.1	Very low	44.4	Very low	128 Å²	128	141.6 Å²	141.6	90%	0.895	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.2	120.2	162.3	35.9	0	0	0	0	109.1
51	A	47.1	Very low	44.9	Very low	86 Å²	86	138.2 Å²	138.2	71%	0.711	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-96.3	144.1	159.1	0	0	0	0	0	107.7	R49 S53	R49-A51 PolarHBondContact O-N 3.41Å; A51-S53 PolarHBondContact O-N 2.86Å
52	P	45.1	Very low	44.6	Very low	125 Å²	125	141.8 Å²	141.8	81%	0.812	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-58	138.5	-175.2	22.8	-32.1	0	0	0	111.1	S54	P52-S54 PolarHBondContact O-N 3.46Å
53	S	47.8	Very low	45	Very low	121 Å²	121	142 Å²	142	85%	0.846	77%	0.77	S	S	*	*			trans	-31.2	105.7	168.2	179.3	0	0	0	0	111.1	A51 G55	A51-S53 PolarHBondContact O-N 2.86Å; S53-G55 PolarHBondContact O-N 2.94Å
54	S	44.7	Very low	44.7	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	76%	0.757	S	S	*	*			trans	-56.6	122.9	176.1	179.6	0	0	0	0	108.3	P52 Q56	P52-S54 PolarHBondContact O-N 3.46Å; S54-Q56 PolarHBondContact O-N 3.23Å
55	G	44.5	Very low	44.8	Very low	57 Å²	57	137 Å²	137	59%	0.588	76%	0.757	S	S	*	*			trans	-42.2	128	179.2	0	0	0	0	0	111.8	S53 L57	S53-G55 PolarHBondContact O-N 2.94Å; G55-L57 PolarHBondContact O-N 3.25Å
56	Q	45.1	Very low	44.7	Very low	179 Å²	179	140.6 Å²	140.6	84%	0.836	77%	0.773	S	S	*	*			trans	-22.1	90.4	163	-168.7	162.6	10.1	0	0	112.7	S54 I58	S54-Q56 PolarHBondContact O-N 3.23Å; Q56-I58 PolarHBondContact O-N 2.83Å; Q56-I58 VanDerWaalsContact O-N 3.08Å
57	L	49.9	Very low	45.2	Very low	156 Å²	156	137.4 Å²	137.4	82%	0.817	77%	0.768	S	S	*	*			trans	-73.3	102.5	164.5	-67.1	-179.8	0	0	0	105.9	G55 P59	G55-L57 PolarHBondContact O-N 3.25Å; L57-P59 WeakPolarHBondContact O-CD 3.3Å; L57-P59 VanDerWaalsContact O-N 3.16Å
58	I	47.2	Very low	45.3	Very low	126 Å²	126	134.2 Å²	134.2	65%	0.646	77%	0.769	S	S	*	*			trans	-34.8	117.2	166.8	-57.2	-76.9	0	0	0	108.5	Q56 F60	Q56-I58 PolarHBondContact O-N 2.83Å; Q56-I58 VanDerWaalsContact O-N 3.08Å; I58-F60 PolarHBondContact O-N 2.94Å
59	P	40.8	Very low	46	Very low	103 Å²	103	134.6 Å²	134.6	67%	0.669	76%	0.762	S	S	*	*			trans	-61.1	113.6	166	-14.3	27.5	0	0	0	106.1	L57 S61	L57-P59 WeakPolarHBondContact O-CD 3.3Å; L57-P59 VanDerWaalsContact O-N 3.16Å; P59-S61 PolarHBondContact O-N 2.82Å; P59-S61 PolarHBondContact O-OG 3.5Å
60	F	38.9	Very low	46.9	Very low	196 Å²	196	125.9 Å²	125.9	86%	0.86	73%	0.734	S	S	*	*			trans	-74.6	59.8	168.5	-130.5	-86.1	0	0	0	108.4	I58 K62	I58-F60 PolarHBondContact O-N 2.94Å; F60-K62 PolarHBondContact O-N 3.14Å
61	S	45.2	Very low	47.8	Very low	100 Å²	100	124.4 Å²	124.4	70%	0.699	72%	0.721	S	S	*	*			trans	-78.1	93.3	163.4	46.4	0	0	0	0	106.8	P59	P59-S61 PolarHBondContact O-N 2.82Å; P59-S61 PolarHBondContact O-OG 3.5Å
62	K	35.3	Very low	48.6	Very low	173 Å²	173	128.4 Å²	128.4	75%	0.752	72%	0.718	S	S	*	*			trans	-95.1	116.2	157.3	-167.3	175.4	172.7	75.5	0	107.1	F60	F60-K62 PolarHBondContact O-N 3.14Å
63	P	50.2	Low	50	Low	124 Å²	124	125.5 Å²	125.5	81%	0.805	70%	0.698	S	S	*	*			trans	-84.7	124.1	174.1	33.4	-27.8	0	0	0	108.3
64	A	40.2	Very low	51.4	Low	58 Å²	58	122.4 Å²	122.4	48%	0.479	68%	0.676	S	S	.	*			trans	-170.3	81.7	174.2	0	0	0	0	0	103.5
65	E	39.3	Very low	53.2	Low	179 Å²	179	122.2 Å²	122.2	84%	0.836	67%	0.667	S	S	*	*				103.2	97.7	90.1	64.6	-149.8	132.2	0	0	108.9	E67	E65-E67 PolarHBondContact O-N 2.62Å
66	D	45.1	Very low	55.1	Low	168 Å²	168	128.2 Å²	128.2	90%	0.898	67%	0.671	S	S	*	*			trans	47.1	70	142.6	-140.6	21.8	0	0	0	117.7
67	E	50.8	Low	57.1	Low	165 Å²	165	124.1 Å²	124.1	77%	0.771	65%	0.653	S	S	*	*			trans	-160.9	126.6	138.3	-111.7	-99	104.8	0	0	105.5	E65 E69	E65-E67 PolarHBondContact O-N 2.62Å; E67-E69 PolarHBondContact O-N 3.37Å
68	A	53.2	Low	58.7	Low	95 Å²	95	121.3 Å²	121.3	79%	0.785	64%	0.638	S	S	*	*			trans	-66.6	74.4	166.8	0	0	0	0	0	107.4	D70	A68-D70 PolarHBondContact O-N 3.2Å
69	E	59.8	Low	60.4	Low	137 Å²	137	119.2 Å²	119.2	64%	0.64	63%	0.627	S	S	*	*			trans	-60.8	97.5	163.4	-80.4	-157.9	172	0	0	105.3	E67 P71	E67-E69 PolarHBondContact O-N 3.37Å; E69-P71 VanDerWaalsContact O-N 3.08Å
70	D	67.1	Low	62.7	Low	63 Å²	63	116.7 Å²	116.7	34%	0.337	62%	0.615	S	S	.	*			trans	-44.7	122.4	179.6	-176	-7.7	0	0	0	105.9	A68 R72 T73	A68-D70 PolarHBondContact O-N 3.2Å; D70-R72 HydrophobicContact CB-CB 4.49Å; D70-R72 CarbonylContact O-C 3.49Å; D70-R72 PolarHBondContact O-N 3.16Å; D70-R72 VanDerWaalsContact OD1-CG 3.28Å; D70-R72 WeakPolarHBondContact OD1-CG 3.1Å; D70-R72 PolarHBondContact OD1-N 3.44Å; D70-R72 IonicContact OD1-NH1 2.73Å; D70-R72 WeakPolarHBondContact OD2-CD 3.39Å; D70-R72 IonicContact OD2-NH1 3.33Å; D70-R72 PolarHBondContact OD2-NH1 3.49Å; D70-T73 HydrophobicContact CB-CG2 4.3Å; D70-T73 PolarHBondContact O-N 3.12Å; D70-T73 PolarHBondContact O-OG1 3.05Å
71	P	67.5	Low	64.6	Low	97 Å²	97	114 Å²	114	63%	0.63	60%	0.599	S	S	*	*	H	α-helix	trans	-52.5	-17.1	-178.6	20.5	-34.7	0	0	0	112.7	E69 S74 L75	E69-P71 VanDerWaalsContact O-N 3.08Å; P71-S74 PolarHBondContact O-OG 3.2Å; P71-S74 VanDerWaalsContact O-OG 3.05Å; P71-L75 WeakPolarHBondContact O-CB 3.41Å; P71-L75 PolarHBondContact O-N 2.85Å; P71-L75 VanDerWaalsContact O-N 3.12Å
72	R	63.8	Low	66.3	Low	171 Å²	171	113.7 Å²	113.7	65%	0.645	59%	0.589	S	S	*	*	H	α-helix	trans	-64	-39.3	167.8	-61.2	-178.5	-177.6	130.5	-7.1	114.5	D70 R76	D70-R72 HydrophobicContact CB-CB 4.49Å; D70-R72 CarbonylContact O-C 3.49Å; D70-R72 PolarHBondContact O-N 3.16Å; D70-R72 VanDerWaalsContact OD1-CG 3.28Å; D70-R72 WeakPolarHBondContact OD1-CG 3.1Å; D70-R72 PolarHBondContact OD1-N 3.44Å; D70-R72 IonicContact OD1-NH1 2.73Å; D70-R72 WeakPolarHBondContact OD2-CD 3.39Å; D70-R72 IonicContact OD2-NH1 3.33Å; D70-R72 PolarHBondContact OD2-NH1 3.49Å; R72-R76 VanDerWaalsContact O-CB 3.29Å; R72-R76 WeakPolarHBondContact O-CB 3.11Å; R72-R76 VanDerWaalsContact O-CD 3.31Å; R72-R76 WeakPolarHBondContact O-CD 3.5Å; R72-R76 WeakPolarHBondContact O-CG 3.38Å; R72-R76 PolarHBondContact O-N 2.97Å
73	T	74.5	Confident	68.4	Low	64 Å²	64	110.7 Å²	110.7	39%	0.393	58%	0.58	S	S	.	*	H	α-helix	trans	-69.6	-43.1	178.8	60.2	0	0	0	0	111	D70 R76 E77	D70-T73 HydrophobicContact CB-CG2 4.3Å; D70-T73 PolarHBondContact O-N 3.12Å; D70-T73 PolarHBondContact O-OG1 3.05Å; T73-R76 PolarHBondContact O-N 3.34Å; T73-E77 WeakPolarHBondContact O-CB 3.31Å; T73-E77 PolarHBondContact O-N 3.39Å
74	S	75.4	Confident	69.7	Low	56 Å²	56	109.2 Å²	109.2	39%	0.392	57%	0.573	S	S	.	*	H	α-helix	trans	-65.4	-39.4	175.7	67.5	0	0	0	0	112.5	P71 E77 L78	P71-S74 PolarHBondContact O-OG 3.2Å; P71-S74 VanDerWaalsContact O-OG 3.05Å; S74-E77 PolarHBondContact O-N 3.01Å; S74-L78 WeakPolarHBondContact O-CB 3.31Å; S74-L78 PolarHBondContact O-N 3.4Å
75	L	84.2	Confident	70.8	Confident	99 Å²	99	114.8 Å²	114.8	52%	0.518	58%	0.582	S	S	.	*	H	α-helix	trans	-61.9	-46.2	170.9	-177.6	99.4	0	0	0	111.4	P71 E77 L78 L79	P71-L75 WeakPolarHBondContact O-CB 3.41Å; P71-L75 PolarHBondContact O-N 2.85Å; P71-L75 VanDerWaalsContact O-N 3.12Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 2.96Å; L75-L78 PolarHBondContact O-N 2.7Å; L75-L79 HydrophobicContact CD2-CD1 3.97Å; L75-L79 HydrophobicContact CG-CD1 4.09Å; L75-L79 HydrophobicContact CG-CG 4.47Å; L75-L79 WeakPolarHBondContact O-CB 3.04Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.31Å; L75-L79 PolarHBondContact O-N 3.22Å
76	R	83.4	Confident	71.6	Confident	183 Å²	183	113.5 Å²	113.5	69%	0.691	57%	0.573	S	S	*	*	H	α-helix	trans	-62.8	-38.1	179	-75	168	102.2	177.6	6.5	111.3	R72 T73 L79 A80	R72-R76 VanDerWaalsContact O-CB 3.29Å; R72-R76 WeakPolarHBondContact O-CB 3.11Å; R72-R76 VanDerWaalsContact O-CD 3.31Å; R72-R76 WeakPolarHBondContact O-CD 3.5Å; R72-R76 WeakPolarHBondContact O-CG 3.38Å; R72-R76 PolarHBondContact O-N 2.97Å; T73-R76 PolarHBondContact O-N 3.34Å; R76-L79 PolarHBondContact O-N 3.46Å; R76-A80 VanDerWaalsContact O-CB 3.31Å; R76-A80 WeakPolarHBondContact O-CB 3.42Å; R76-A80 PolarHBondContact O-N 2.84Å
77	E	87	Confident	72.1	Confident	94 Å²	94	108.4 Å²	108.4	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-66.5	-43.5	174.8	-162.7	-165.2	-166	0	0	111.6	T73 S74 L75 L79 A80 R81	T73-E77 WeakPolarHBondContact O-CB 3.31Å; T73-E77 PolarHBondContact O-N 3.39Å; S74-E77 PolarHBondContact O-N 3.01Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 2.96Å; E77-L79 PolarHBondContact O-N 3.32Å; E77-A80 PolarHBondContact O-N 3.34Å; E77-R81 VanDerWaalsContact CD-NH1 3.27Å; E77-R81 WeakPolarHBondContact O-CB 3.29Å; E77-R81 WeakPolarHBondContact O-CG 3.31Å; E77-R81 PolarHBondContact O-N 3.44Å; E77-R81 IonicContact OE1-CZ 3.87Å; E77-R81 IonicContact OE1-NE 3.94Å; E77-R81 IonicContact OE1-NH1 3.32Å; E77-R81 IonicContact OE1-NH2 3.62Å; E77-R81 PolarHBondContact OE1-NH2 3.23Å; E77-R81 IonicContact OE2-CZ 2.62Å; E77-R81 VanDerWaalsContact OE2-CZ 3.25Å; E77-R81 IonicContact OE2-NH1 3.17Å; E77-R81 PolarHBondContact OE2-NH1 3.19Å; E77-R81 IonicContact OE2-NH2 2.82Å; E77-R81 PolarHBondContact OE2-NH2 3.3Å; E77-R81 VanDerWaalsContact OE2-NH2 3.14Å
78	L	83.9	Confident	72.3	Confident	96 Å²	96	104.9 Å²	104.9	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-62	-43.8	174.9	-176.3	65.6	0	0	0	111.6	S74 L75 R81 L82	S74-L78 WeakPolarHBondContact O-CB 3.31Å; S74-L78 PolarHBondContact O-N 3.4Å; L75-L78 PolarHBondContact O-N 2.7Å; L78-R81 PolarHBondContact O-N 2.94Å; L78-L82 HydrophobicContact CG-CD1 4.19Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 VanDerWaalsContact O-CG 3.31Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 2.75Å
79	L	83.8	Confident	72.4	Confident	82 Å²	82	105.8 Å²	105.8	43%	0.429	55%	0.545	S	S	.	.	H	α-helix	trans	-62	-45.3	174.2	-73.4	172	0	0	0	111	L75 R76 E77 R81 L82 I83	L75-L79 HydrophobicContact CD2-CD1 3.97Å; L75-L79 HydrophobicContact CG-CD1 4.09Å; L75-L79 HydrophobicContact CG-CG 4.47Å; L75-L79 WeakPolarHBondContact O-CB 3.04Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.31Å; L75-L79 PolarHBondContact O-N 3.22Å; R76-L79 PolarHBondContact O-N 3.46Å; E77-L79 PolarHBondContact O-N 3.32Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.36Å; L79-L82 PolarHBondContact O-N 2.76Å; L79-I83 HydrophobicContact CB-CD1 4.38Å; L79-I83 WeakPolarHBondContact O-CB 3.41Å; L79-I83 VanDerWaalsContact O-CD1 3.3Å; L79-I83 WeakPolarHBondContact O-CD1 3.33Å; L79-I83 WeakPolarHBondContact O-CG1 3.28Å; L79-I83 PolarHBondContact O-N 2.72Å
80	A	88.1	Confident	72.1	Confident	50 Å²	50	108 Å²	108	41%	0.413	56%	0.556	S	S	.	*	H	α-helix	trans	-60	-40.5	176.2	0	0	0	0	0	111.9	R76 E77 S84	R76-A80 VanDerWaalsContact O-CB 3.31Å; R76-A80 WeakPolarHBondContact O-CB 3.42Å; R76-A80 PolarHBondContact O-N 2.84Å; E77-A80 PolarHBondContact O-N 3.34Å; A80-S84 WeakPolarHBondContact O-CB 3.45Å; A80-S84 PolarHBondContact O-N 3.43Å; A80-S84 PolarHBondContact O-OG 2.99Å
81	R	78.7	Confident	71.5	Confident	141 Å²	141	115.7 Å²	115.7	53%	0.532	58%	0.58	S	S	.	*	H	α-helix	trans	-66.3	-41.6	173.6	-73.6	179.4	-173.9	132.8	-7.6	112.2	E77 L78 L79 R85	E77-R81 VanDerWaalsContact CD-NH1 3.27Å; E77-R81 WeakPolarHBondContact O-CB 3.29Å; E77-R81 WeakPolarHBondContact O-CG 3.31Å; E77-R81 PolarHBondContact O-N 3.44Å; E77-R81 IonicContact OE1-CZ 3.87Å; E77-R81 IonicContact OE1-NE 3.94Å; E77-R81 IonicContact OE1-NH1 3.32Å; E77-R81 IonicContact OE1-NH2 3.62Å; E77-R81 PolarHBondContact OE1-NH2 3.23Å; E77-R81 IonicContact OE2-CZ 2.62Å; E77-R81 VanDerWaalsContact OE2-CZ 3.25Å; E77-R81 IonicContact OE2-NH1 3.17Å; E77-R81 PolarHBondContact OE2-NH1 3.19Å; E77-R81 IonicContact OE2-NH2 2.82Å; E77-R81 PolarHBondContact OE2-NH2 3.3Å; E77-R81 VanDerWaalsContact OE2-NH2 3.14Å; L78-R81 PolarHBondContact O-N 2.94Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.36Å; R81-R85 WeakPolarHBondContact O-CB 3.45Å; R81-R85 PolarHBondContact O-N 3.48Å
82	L	81	Confident	70.8	Confident	92 Å²	92	115 Å²	115	48%	0.482	58%	0.577	S	S	.	*	H	α-helix	trans	-66.8	-42	177.3	-76.5	170.6	0	0	0	111.9	L78 L79 R85 K86	L78-L82 HydrophobicContact CG-CD1 4.19Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 VanDerWaalsContact O-CG 3.31Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 2.75Å; L79-L82 PolarHBondContact O-N 2.76Å; L82-R85 PolarHBondContact O-N 3.03Å; L82-K86 WeakPolarHBondContact O-CB 3.43Å; L82-K86 PolarHBondContact O-N 2.99Å
83	I	80.6	Confident	70.3	Confident	110 Å²	110	112.2 Å²	112.2	56%	0.564	58%	0.584	S	S	*	*	H	α-helix	trans	-70.5	-40.6	178.7	-60.1	158.5	0	0	0	110.3	L79 K86	L79-I83 HydrophobicContact CB-CD1 4.38Å; L79-I83 WeakPolarHBondContact O-CB 3.41Å; L79-I83 VanDerWaalsContact O-CD1 3.3Å; L79-I83 WeakPolarHBondContact O-CD1 3.33Å; L79-I83 WeakPolarHBondContact O-CG1 3.28Å; L79-I83 PolarHBondContact O-N 2.72Å; I83-K86 WeakPolarHBondContact O-CB 3.3Å; I83-K86 PolarHBondContact O-N 3.08Å
84	S	75.6	Confident	69.3	Low	94 Å²	94	114.1 Å²	114.1	66%	0.657	60%	0.6	S	S	*	*	H	α-helix	trans	-64.4	-42.7	173.3	-62.5	0	0	0	0	111.9	A80 K86 G87	A80-S84 WeakPolarHBondContact O-CB 3.45Å; A80-S84 PolarHBondContact O-N 3.43Å; A80-S84 PolarHBondContact O-OG 2.99Å; S84-K86 VanDerWaalsContact C-N 3.27Å; S84-K86 PolarHBondContact O-N 3.42Å; S84-G87 PolarHBondContact O-N 2.92Å
85	R	64.6	Low	68.2	Low	175 Å²	175	117.1 Å²	117.1	66%	0.66	61%	0.611	S	S	*	*	H	α-helix	trans	-70	-23.6	175	-177	174.4	-97.5	-137.7	-2.7	112.5	R81 L82 G87 S88 L89	R81-R85 WeakPolarHBondContact O-CB 3.45Å; R81-R85 PolarHBondContact O-N 3.48Å; L82-R85 PolarHBondContact O-N 3.03Å; R85-G87 PolarHBondContact O-N 3.22Å; R85-G87 VanDerWaalsContact O-N 3.14Å; R85-S88 PolarHBondContact O-N 3.34Å; R85-S88 PolarHBondContact O-OG 3.48Å; R85-L89 HydrophobicContact CG-CD1 4.31Å; R85-L89 PolarHBondContact O-N 3.48Å
86	K	55.3	Low	66.4	Low	151 Å²	151	116.5 Å²	116.5	66%	0.657	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	9.3	170.8	177.4	162.3	159.4	-89.8	0	112.9	L82 I83 S84	L82-K86 WeakPolarHBondContact O-CB 3.43Å; L82-K86 PolarHBondContact O-N 2.99Å; I83-K86 WeakPolarHBondContact O-CB 3.3Å; I83-K86 PolarHBondContact O-N 3.08Å; S84-K86 VanDerWaalsContact C-N 3.27Å; S84-K86 PolarHBondContact O-N 3.42Å
87	G	55.9	Low	64.9	Low	61 Å²	61	112.6 Å²	112.6	63%	0.629	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-19.9	156.3	0	0	0	0	0	114.1	S84 R85	S84-G87 PolarHBondContact O-N 2.92Å; R85-G87 PolarHBondContact O-N 3.22Å; R85-G87 VanDerWaalsContact O-N 3.14Å
88	S	55.3	Low	63.3	Low	92 Å²	92	118.8 Å²	118.8	64%	0.643	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	-5.5	-175.8	82.7	0	0	0	0	115.1	R85 Q90	R85-S88 PolarHBondContact O-N 3.34Å; R85-S88 PolarHBondContact O-OG 3.48Å; S88-Q90 PolarHBondContact O-N 3.11Å
89	L	54.6	Low	61.9	Low	113 Å²	113	118.3 Å²	118.3	59%	0.592	65%	0.645	S	S	*	*			trans	-81.2	15.9	175.6	-80.6	152.1	0	0	0	113.6	R85 R91	R85-L89 HydrophobicContact CG-CD1 4.31Å; R85-L89 PolarHBondContact O-N 3.48Å; L89-R91 PolarHBondContact O-N 3.23Å
90	Q	53.8	Low	60.7	Low	185 Å²	185	120.5 Å²	120.5	86%	0.864	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	30.3	171.6	-141.7	175.4	-3.1	0	0	112.5	S88	S88-Q90 PolarHBondContact O-N 3.11Å
91	R	54	Low	59.4	Low	224 Å²	224	120 Å²	120	85%	0.845	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.4	44	173	-147.6	169.3	85.5	-110.3	6.6	113.2	L89	L89-R91 PolarHBondContact O-N 3.23Å
92	S	53.2	Low	58.4	Low	81 Å²	81	117.4 Å²	117.4	57%	0.566	67%	0.668	S	S	*	*			trans	-115.1	42.7	157.4	-175.5	0	0	0	0	111	S94	S92-S94 PolarHBondContact O-N 3.02Å
93	S	54.2	Low	57.6	Low	113 Å²	113	115.3 Å²	115.3	79%	0.79	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	66.3	164.2	58	0	0	0	0	109.9
94	S	52.3	Low	56.7	Low	104 Å²	104	117.1 Å²	117.1	73%	0.727	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.3	24.1	162.3	63.6	0	0	0	0	113.3	S92 S96	S92-S94 PolarHBondContact O-N 3.02Å; S94-S96 PolarHBondContact O-N 3.43Å; S94-S96 VanDerWaalsContact O-N 3.1Å
95	L	53.5	Low	55.9	Low	119 Å²	119	118 Å²	118	62%	0.623	69%	0.694	S	S	*	*			trans	-81.7	50.7	151.9	-62.9	166.9	0	0	0	108.1	S97	L95-S97 PolarHBondContact O-N 3.25Å
96	S	46.5	Very low	55.7	Low	87 Å²	87	113.5 Å²	113.5	61%	0.608	68%	0.68	S	S	*	*			trans	-67.7	95.9	163.6	-178.6	0	0	0	0	104.8	S94 R98	S94-S96 PolarHBondContact O-N 3.43Å; S94-S96 VanDerWaalsContact O-N 3.1Å; S96-R98 PolarHBondContact O-N 3.12Å
97	S	51.9	Low	56.3	Low	100 Å²	100	114.7 Å²	114.7	70%	0.699	69%	0.685	S	S	*	*				26.5	36.7	120	-164.1	0	0	0	0	117.2	L95	L95-S97 PolarHBondContact O-N 3.25Å
98	R	53.7	Low	56.9	Low	225 Å²	225	116.5 Å²	116.5	85%	0.849	68%	0.679	S	S	*	*			trans	-107.6	20.9	167.4	-63.2	-175	73.4	179.4	3.3	110.1	S96 S100	S96-R98 PolarHBondContact O-N 3.12Å; R98-S100 PolarHBondContact O-N 3.42Å
99	A	53.1	Low	57.7	Low	86 Å²	86	119.1 Å²	119.1	71%	0.711	68%	0.679	S	S	*	*	S	Bend	trans	-53.2	85.6	133.8	0	0	0	0	0	106.4	G101	A99-G101 VanDerWaalsContact C-N 3.26Å; A99-G101 PolarHBondContact O-N 3.23Å
100	S	58.5	Low	58.3	Low	128 Å²	128	120.1 Å²	120.1	90%	0.895	69%	0.685	S	S	*	*	S	Bend	trans	12.6	66.3	159.3	44.8	0	0	0	0	115	R98	R98-S100 PolarHBondContact O-N 3.42Å
101	G	62.1	Low	58.9	Low	40 Å²	40	121.2 Å²	121.2	41%	0.412	68%	0.681	S	S	.	*			trans	-125.6	134.5	173.1	0	0	0	0	0	106.2	A99 G103	A99-G101 VanDerWaalsContact C-N 3.26Å; A99-G101 PolarHBondContact O-N 3.23Å; G101-G103 PolarHBondContact O-N 2.86Å
102	P	56.9	Low	59.6	Low	86 Å²	86	113.9 Å²	113.9	56%	0.558	66%	0.659	S	S	*	*			trans	-60.3	133.7	-173.9	28.9	-35.8	0	0	0	108.5	H106	P102-H106 HydrophobicContact CB-CB 3.65Å; P102-H106 WeakPolarHBondContact CB-CD2 3.3Å; P102-H106 VanDerWaalsContact CB-CG 3.45Å; P102-H106 HydrophobicContact CG-CB 3.67Å; P102-H106 WeakPolarHBondContact CG-CD2 3.45Å; P102-H106 WeakPolarHBondContact CG-ND1 3.39Å; P102-H106 WeakPolarHBondContact CG-NE2 3.39Å
103	G	64.1	Low	60.2	Low	47 Å²	47	115.3 Å²	115.3	49%	0.485	65%	0.653	S	S	.	*			trans	-60.5	-174.7	-161.7	0	0	0	0	0	115.3	G101 S105 H106	G101-G103 PolarHBondContact O-N 2.86Å; G103-S105 PolarHBondContact O-N 2.99Å; G103-H106 WeakPolarHBondContact O-CB 3.41Å; G103-H106 PolarHBondContact O-N 3.03Å
104	P	61.6	Low	60.8	Low	149 Å²	149	115.3 Å²	115.3	97%	0.968	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-0.9	-173.6	-19.1	30.3	0	0	0	116
105	S	58.1	Low	61.8	Low	112 Å²	112	112.5 Å²	112.5	78%	0.783	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	11.7	172.1	-53.7	0	0	0	0	113.5	G103 K107	G103-S105 PolarHBondContact O-N 2.99Å; S105-K107 VanDerWaalsContact C-N 3.27Å; S105-K107 PolarHBondContact O-N 2.8Å
106	H	61.3	Low	62.7	Low	80 Å²	80	114 Å²	114	37%	0.37	63%	0.628	S	S	.	*			trans	-75.6	84.2	172.9	-167.7	-105.2	0	0	0	109.6	P102 G103 I108 D112	P102-H106 HydrophobicContact CB-CB 3.65Å; P102-H106 WeakPolarHBondContact CB-CD2 3.3Å; P102-H106 VanDerWaalsContact CB-CG 3.45Å; P102-H106 HydrophobicContact CG-CB 3.67Å; P102-H106 WeakPolarHBondContact CG-CD2 3.45Å; P102-H106 WeakPolarHBondContact CG-ND1 3.39Å; P102-H106 WeakPolarHBondContact CG-NE2 3.39Å; G103-H106 WeakPolarHBondContact O-CB 3.41Å; G103-H106 PolarHBondContact O-N 3.03Å; H106-I108 WeakPolarHBondContact ND1-CG1 3.19Å; H106-I108 PolarHBondContact O-N 3.49Å; H106-D112 IonicContact CE1-OD2 3.54Å; H106-D112 PolarHBondContact CE1-OD2 3.23Å; H106-D112 IonicContact NE2-OD2 3.48Å
107	K	67.1	Low	63.9	Low	177 Å²	177	115.9 Å²	115.9	77%	0.77	63%	0.628	S	S	*	*			trans	-64.9	93.8	161.8	-61.5	-174	-178.8	-173.5	0	105.9	S105 K109	S105-K107 VanDerWaalsContact C-N 3.27Å; S105-K107 PolarHBondContact O-N 2.8Å; K107-K109 WeakPolarHBondContact O-CG 3.47Å; K107-K109 PolarHBondContact O-N 2.85Å
108	I	69.8	Low	64.6	Low	99 Å²	99	113.4 Å²	113.4	51%	0.508	61%	0.607	S	S	.	*			trans	-47.6	116.5	173.8	-64.4	169.1	0	0	0	106.6	H106 D112 Y113	H106-I108 WeakPolarHBondContact ND1-CG1 3.19Å; H106-I108 PolarHBondContact O-N 3.49Å; I108-D112 HydrophobicContact CG2-CB 4.1Å; I108-Y113 HydrophobicContact CB-CE2 4.32Å; I108-Y113 HydrophobicContact CG2-CD2 3.72Å; I108-Y113 HydrophobicContact CG2-CE2 3.17Å
109	K	70.4	Confident	65.1	Low	146 Å²	146	110.9 Å²	110.9	64%	0.635	60%	0.603	S	S	*	*			trans	-93.4	157.9	179.7	-61.6	-178.5	-178.3	173.2	0	108.2	K107 R111 D112	K107-K109 WeakPolarHBondContact O-CG 3.47Å; K107-K109 PolarHBondContact O-N 2.85Å; K109-R111 PolarHBondContact O-N 3.44Å; K109-D112 PolarHBondContact N-OD2 3.08Å; K109-D112 WeakPolarHBondContact O-CB 3.13Å; K109-D112 PolarHBondContact O-N 3Å
110	D	68.1	Low	65.8	Low	135 Å²	135	110.1 Å²	110.1	72%	0.722	60%	0.603	S	S	*	*	H	α-helix	trans	-53.2	-28.8	174.9	-77.6	-10.9	0	0	0	112.9	D112 Y113 L114	D110-D112 PolarHBondContact O-N 3.46Å; D110-Y113 PolarHBondContact O-N 3.33Å; D110-Y113 VanDerWaalsContact O-N 3.08Å; D110-L114 PolarHBondContact O-N 2.81Å
111	R	66.9	Low	65.9	Low	207 Å²	207	113.4 Å²	113.4	78%	0.781	60%	0.596	S	S	*	*	H	α-helix	trans	-61.6	-25.1	173.6	-114.8	-146.8	70.9	171.3	2.9	114.7	K109	K109-R111 PolarHBondContact O-N 3.44Å
112	D	69.1	Low	65.8	Low	70 Å²	70	117.7 Å²	117.7	37%	0.374	60%	0.6	S	S	.	*	H	α-helix	trans	-83.9	-21.7	177.8	-51.7	-37.8	0	0	0	111	H106 I108 K109 D110	H106-D112 IonicContact CE1-OD2 3.54Å; H106-D112 PolarHBondContact CE1-OD2 3.23Å; H106-D112 IonicContact NE2-OD2 3.48Å; I108-D112 HydrophobicContact CG2-CB 4.1Å; K109-D112 PolarHBondContact N-OD2 3.08Å; K109-D112 WeakPolarHBondContact O-CB 3.13Å; K109-D112 PolarHBondContact O-N 3Å; D110-D112 PolarHBondContact O-N 3.46Å
113	Y	66	Low	65.9	Low	112 Å²	112	117.5 Å²	117.5	44%	0.439	60%	0.6	S	S	.	*	H	α-helix	trans	-81.4	-27.1	174.4	-78.5	-81.4	0	0	0	113.2	I108 D110 G115 W116	I108-Y113 HydrophobicContact CB-CE2 4.32Å; I108-Y113 HydrophobicContact CG2-CD2 3.72Å; I108-Y113 HydrophobicContact CG2-CE2 3.17Å; D110-Y113 PolarHBondContact O-N 3.33Å; D110-Y113 VanDerWaalsContact O-N 3.08Å; Y113-G115 VanDerWaalsContact C-N 3.31Å; Y113-G115 PolarHBondContact O-N 3.46Å; Y113-W116 HydrophobicContact CD1-CZ2 4.43Å; Y113-W116 AromaticContact CD1-NE1 3.33Å; Y113-W116 VanDerWaalsContact CD1-NE1 3.33Å; Y113-W116 PolarHBondContact O-NE1 3.29Å
114	L	66	Low	65.4	Low	113 Å²	113	119 Å²	119	59%	0.592	61%	0.609	S	S	*	*	H	α-helix	trans	-66.1	-31	-179.5	-81.5	146.6	0	0	0	113.3	D110	D110-L114 PolarHBondContact O-N 2.81Å
115	G	72.2	Confident	65.2	Low	44 Å²	44	118.8 Å²	118.8	45%	0.454	60%	0.595	S	S	.	*	H	α-helix	trans	-77	-30.6	-174.7	0	0	0	0	0	115.5	Y113	Y113-G115 VanDerWaalsContact C-N 3.31Å; Y113-G115 PolarHBondContact O-N 3.46Å
116	W	74	Confident	65.1	Low	151 Å²	151	120.4 Å²	120.4	57%	0.572	59%	0.59	S	S	*	*	H	α-helix	trans	-88.8	-26.3	-172.9	77.3	-81.7	0	0	0	113.7	Y113 D118	Y113-W116 HydrophobicContact CD1-CZ2 4.43Å; Y113-W116 AromaticContact CD1-NE1 3.33Å; Y113-W116 VanDerWaalsContact CD1-NE1 3.33Å; Y113-W116 PolarHBondContact O-NE1 3.29Å; W116-D118 VanDerWaalsContact C-N 3.27Å; W116-D118 PolarHBondContact O-N 2.97Å
117	M	70.1	Confident	64.8	Low	126 Å²	126	126.1 Å²	126.1	62%	0.621	61%	0.609	S	S	*	*	H	α-helix	trans	-71.7	-21.5	177.7	-71	-170.2	167.1	0	0	113.2
118	D	68.1	Low	64.4	Low	48 Å²	48	126 Å²	126	26%	0.257	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-89	0.2	-174.6	-74.3	-22.2	0	0	0	114.2	W116 G120 R121 R122	W116-D118 VanDerWaalsContact C-N 3.27Å; W116-D118 PolarHBondContact O-N 2.97Å; D118-G120 PolarHBondContact O-N 3.43Å; D118-G120 VanDerWaalsContact O-N 3.16Å; D118-R121 PolarHBondContact O-N 3.16Å; D118-R122 VanDerWaalsContact CB-CZ 3.43Å; D118-R122 PolarHBondContact O-N 3.11Å; D118-R122 IonicContact OD2-CZ 3.14Å; D118-R122 IonicContact OD2-NH1 3.25Å; D118-R122 IonicContact OD2-NH2 3.56Å; D118-R122 PolarHBondContact OD2-NH2 3.24Å
119	F	64	Low	63.8	Low	172 Å²	172	130 Å²	130	75%	0.754	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-62.1	-21	178.7	-110.2	-88.2	0	0	0	113.5
120	G	66.7	Low	63	Low	70 Å²	70	133.8 Å²	133.8	72%	0.722	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-96.7	-10	178.4	0	0	0	0	0	115.2	D118	D118-G120 PolarHBondContact O-N 3.43Å; D118-G120 VanDerWaalsContact O-N 3.16Å
121	R	62	Low	62.5	Low	197 Å²	197	132.6 Å²	132.6	74%	0.743	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-28.4	-178.2	-73.2	-179.3	172.9	-100.1	-0	113.1	D118	D118-R121 PolarHBondContact O-N 3.16Å
122	R	60.4	Low	61.5	Low	131 Å²	131	131.6 Å²	131.6	49%	0.494	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81	-17.3	-173.5	-66.5	-172.1	176.5	100.6	15.9	116	D118	D118-R122 VanDerWaalsContact CB-CZ 3.43Å; D118-R122 PolarHBondContact O-N 3.11Å; D118-R122 IonicContact OD2-CZ 3.14Å; D118-R122 IonicContact OD2-NH1 3.25Å; D118-R122 IonicContact OD2-NH2 3.56Å; D118-R122 PolarHBondContact OD2-NH2 3.24Å
123	S	57.8	Low	61.2	Low	81 Å²	81	134.7 Å²	134.7	57%	0.566	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-1.5	179.2	-54.8	0	0	0	0	114.1
124	A	54.3	Low	60.9	Low	80 Å²	80	135.9 Å²	135.9	66%	0.661	70%	0.695	S	S	*	*	S	Bend	trans	-104.1	-6.4	-177.1	0	0	0	0	0	113.6
125	E	57	Low	60.6	Low	144 Å²	144	137.2 Å²	137.2	67%	0.673	70%	0.7	S	S	*	*	S	Bend	trans	-99.8	1.1	-176.8	59.6	-160.1	178.8	0	0	114
126	E	56.4	Low	59.9	Low	145 Å²	145	142.6 Å²	142.6	68%	0.678	72%	0.715	S	S	*	*	S	Bend	trans	-93.5	-0.9	178.9	-15	-177.8	-150	0	0	114.3
127	Y	54.9	Low	59.1	Low	200 Å²	200	142.1 Å²	142.1	78%	0.784	72%	0.724	S	S	*	*	S	Bend	trans	-99.8	4	-171.7	-88.6	-83.1	0	0	0	115.8
128	E	58.8	Low	58.3	Low	175 Å²	175	143.2 Å²	143.2	82%	0.818	73%	0.731	S	S	*	*	S	Bend	trans	-96	-17.9	179.3	-66.5	-96.7	152.4	0	0	113.3
129	E	57	Low	57.6	Low	184 Å²	184	150 Å²	150	86%	0.86	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	0.6	-176.1	-165.7	147.8	-161.3	0	0	114.4
130	Y	54.5	Low	57.1	Low	225 Å²	225	148.3 Å²	148.3	88%	0.882	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	18.5	177.2	-118.2	-86.7	0	0	0	114.1
131	S	56.9	Low	56.4	Low	109 Å²	109	154.8 Å²	154.8	76%	0.762	77%	0.769	S	S	*	*			trans	-132.9	30.2	173.2	-86.4	0	0	0	0	114.4
132	S	46.3	Very low	55.8	Low	187 Å²	187	151 Å²	151	100%	1.308	77%	0.772	S	S	*	*			trans	-123.3	0	157	-82.4	0	0	0	0	111.1

Retrieved 132 of 132 residues in 38.6 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).