A0A5K4F513_SCHMA Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A5K4F513, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 163 aa.

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(Predicted Aligned Error values between residue pairs)

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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	42.9	Very low	44.2	Very low	233 Å²	233	134.6 Å²	134.6	100%	1.148	77%	0.774	S	S	*	*				0	97.9	0	-61.3	179.7	78.3	0	0	106.2	S3	M1-S3 PolarHBondContact O-N 3.32Å
2	L	43.1	Very low	44.7	Very low	174 Å²	174	136.1 Å²	136.1	91%	0.911	78%	0.777	S	S	*	*			trans	-68.1	121	-179	-94.1	79.2	0	0	0	107.8	D4	L2-D4 PolarHBondContact O-N 3.12Å
3	S	40.4	Very low	45.6	Very low	94 Å²	94	143.8 Å²	143.8	66%	0.657	79%	0.786	S	S	*	*			trans	-80.2	117.7	178.5	-68.6	0	0	0	0	109.7	M1 H5	M1-S3 PolarHBondContact O-N 3.32Å; S3-H5 VanDerWaalsContact C-N 3.33Å; S3-H5 PolarHBondContact O-N 2.86Å
4	D	43.9	Very low	46.7	Very low	154 Å²	154	141.9 Å²	141.9	82%	0.824	77%	0.774	S	S	*	*			trans	-67.5	84.9	168.8	-69.6	-50.3	0	0	0	110.4	L2 P6	L2-D4 PolarHBondContact O-N 3.12Å; D4-P6 WeakPolarHBondContact O-CD 3.17Å
5	H	44.1	Very low	47.6	Very low	160 Å²	160	135.9 Å²	135.9	74%	0.741	75%	0.745	S	S	*	*			trans	-104.9	99.7	162.4	-62.9	-36.7	0	0	0	108.1	S3	S3-H5 VanDerWaalsContact C-N 3.33Å; S3-H5 PolarHBondContact O-N 2.86Å
6	P	43	Very low	48.4	Very low	105 Å²	105	134.1 Å²	134.1	68%	0.682	74%	0.742	S	S	*	*			trans	-59.7	133.8	174.6	23.9	-31.3	0	0	0	108.2	D4 I8	D4-P6 WeakPolarHBondContact O-CD 3.17Å; P6-I8 PolarHBondContact O-N 2.94Å
7	P	45.2	Very low	49.4	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	73%	0.732	S	S	*	*			trans	-58.3	119.2	-178.8	23.1	-31.7	0	0	0	107.8	C9	P7-C9 PolarHBondContact O-N 3.33Å
8	I	43.3	Very low	50.4	Low	154 Å²	154	130.9 Å²	130.9	79%	0.79	71%	0.708	S	S	*	*			trans	-63.1	92.5	172.3	-57.2	172.3	0	0	0	105	P6 S10	P6-I8 PolarHBondContact O-N 2.94Å; I8-S10 PolarHBondContact O-N 3.25Å; I8-S10 PolarHBondContact O-OG 3.43Å
9	C	43.7	Very low	50.9	Low	100 Å²	100	130.1 Å²	130.1	68%	0.676	70%	0.702	S	S	*	*			trans	-63.7	84.7	175	-166.3	0	0	0	0	105.8	P7 S11	P7-C9 PolarHBondContact O-N 3.33Å; C9-S11 PolarHBondContact O-N 3.25Å; C9-S11 PolarHBondContact SG-OG 3.18Å
10	S	46.1	Very low	51.3	Low	96 Å²	96	127.7 Å²	127.7	67%	0.671	70%	0.695	S	S	*	*			trans	-74.4	54.7	171.4	-57.7	0	0	0	0	107.7	I8 N12	I8-S10 PolarHBondContact O-N 3.25Å; I8-S10 PolarHBondContact O-OG 3.43Å; S10-N12 PolarHBondContact O-N 3.45Å
11	S	50.5	Low	51.8	Low	91 Å²	91	126.3 Å²	126.3	64%	0.636	69%	0.686	S	S	*	*			trans	-79.3	25.2	173.4	-88.7	0	0	0	0	111.8	C9 R13	C9-S11 PolarHBondContact O-N 3.25Å; C9-S11 PolarHBondContact SG-OG 3.18Å; S11-R13 PolarHBondContact O-N 2.97Å
12	N	50.7	Low	52.5	Low	152 Å²	152	119.3 Å²	119.3	81%	0.813	65%	0.651	S	S	*	*			trans	-88.7	32.6	166.7	-65.3	-20.9	0	0	0	110.6	S10 L14	S10-N12 PolarHBondContact O-N 3.45Å; N12-L14 PolarHBondContact O-N 2.91Å
13	R	56.5	Low	53.2	Low	236 Å²	236	115.4 Å²	115.4	89%	0.891	63%	0.63	S	S	*	*			trans	-74.6	75.4	169.1	-150.1	-178.5	-161	-154.3	5.1	106.9	S11	S11-R13 PolarHBondContact O-N 2.97Å
14	L	60.4	Low	53.9	Low	117 Å²	117	116.1 Å²	116.1	61%	0.613	62%	0.623	S	S	*	*			trans	-55.3	134.6	174.2	-72.2	167.2	0	0	0	107.8	N12 I18	N12-L14 PolarHBondContact O-N 2.91Å; L14-I18 HydrophobicContact CB-CB 4.48Å; L14-I18 HydrophobicContact CB-CG2 3.81Å; L14-I18 HydrophobicContact CD1-CG2 4.23Å
15	P	59.9	Low	54.6	Low	52 Å²	52	115.4 Å²	115.4	34%	0.338	61%	0.609	S	S	.	*			trans	-54.6	143.1	-179.4	-26.8	34.8	0	0	0	111.2	W17 I18	P15-W17 HydrophobicContact CB-CD2 4.33Å; P15-W17 HydrophobicContact CB-CG 4.03Å; P15-W17 HydrophobicContact CG-CZ2 4.34Å; P15-W17 PolarHBondContact O-N 2.91Å; P15-I18 WeakPolarHBondContact O-CB 3.34Å; P15-I18 PolarHBondContact O-N 3.11Å
16	P	61.6	Low	55.2	Low	108 Å²	108	113.3 Å²	113.3	70%	0.701	60%	0.601	S	S	*	*	H	α-helix	trans	-51.6	-28.8	-179	-28	34.1	0	0	0	114.1	I18 L19	P16-I18 VanDerWaalsContact C-N 3.27Å; P16-I18 PolarHBondContact O-N 3.01Å; P16-L19 WeakPolarHBondContact O-CB 3.37Å; P16-L19 PolarHBondContact O-N 2.96Å
17	W	64.8	Low	55.9	Low	150 Å²	150	116.3 Å²	116.3	57%	0.568	60%	0.6	S	S	*	*	H	α-helix	trans	-67.7	-20.5	178.9	65.1	-103.1	0	0	0	114.2	P15 L19 C20 I21	P15-W17 HydrophobicContact CB-CD2 4.33Å; P15-W17 HydrophobicContact CB-CG 4.03Å; P15-W17 HydrophobicContact CG-CZ2 4.34Å; P15-W17 PolarHBondContact O-N 2.91Å; W17-L19 PolarHBondContact O-N 2.8Å; W17-C20 WeakPolarHBondContact O-CB 3.45Å; W17-C20 PolarHBondContact O-N 2.8Å; W17-C20 VanDerWaalsContact O-N 3.16Å; W17-I21 HydrophobicContact CE3-CD1 3.77Å; W17-I21 HydrophobicContact CZ3-CD1 3.58Å
18	I	66.7	Low	56.3	Low	60 Å²	60	117.1 Å²	117.1	31%	0.308	59%	0.593	S	S	.	*	H	α-helix	trans	-63.2	-36.8	175.5	-136.5	92.1	0	0	0	110.5	L14 P15 P16 C20 I21 E22	L14-I18 HydrophobicContact CB-CB 4.48Å; L14-I18 HydrophobicContact CB-CG2 3.81Å; L14-I18 HydrophobicContact CD1-CG2 4.23Å; P15-I18 WeakPolarHBondContact O-CB 3.34Å; P15-I18 PolarHBondContact O-N 3.11Å; P16-I18 VanDerWaalsContact C-N 3.27Å; P16-I18 PolarHBondContact O-N 3.01Å; I18-C20 PolarHBondContact O-N 3.03Å; I18-I21 PolarHBondContact O-N 2.75Å; I18-E22 PolarHBondContact O-N 2.86Å
19	L	59.9	Low	57	Low	115 Å²	115	114.3 Å²	114.3	60%	0.602	58%	0.583	S	S	*	*	H	α-helix	trans	-66.6	-30	178.6	-68.4	163.8	0	0	0	111	P16 W17 E22 L23	P16-L19 WeakPolarHBondContact O-CB 3.37Å; P16-L19 PolarHBondContact O-N 2.96Å; W17-L19 PolarHBondContact O-N 2.8Å; L19-E22 PolarHBondContact O-N 2.89Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 2.85Å
20	C	58.9	Low	57.4	Low	83 Å²	83	115.7 Å²	115.7	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-66.3	-37.6	177.4	-58.2	0	0	0	0	112	W17 I18 E22 H24	W17-C20 WeakPolarHBondContact O-CB 3.45Å; W17-C20 PolarHBondContact O-N 2.8Å; W17-C20 VanDerWaalsContact O-N 3.16Å; I18-C20 PolarHBondContact O-N 3.03Å; C20-E22 VanDerWaalsContact C-N 3.34Å; C20-H24 WeakPolarHBondContact O-CB 3.15Å; C20-H24 PolarHBondContact O-N 2.8Å
21	I	61.9	Low	57.5	Low	99 Å²	99	113.8 Å²	113.8	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-68	-39.1	176.9	-57.8	171	0	0	0	110.3	W17 I18 H24 R25	W17-I21 HydrophobicContact CE3-CD1 3.77Å; W17-I21 HydrophobicContact CZ3-CD1 3.58Å; I18-I21 PolarHBondContact O-N 2.75Å; I21-H24 PolarHBondContact O-N 2.7Å; I21-R25 PolarHBondContact O-N 3.48Å
22	E	57.5	Low	57	Low	85 Å²	85	115.3 Å²	115.3	40%	0.397	59%	0.585	S	S	.	*	H	α-helix	trans	-63.5	-46.2	177.3	-171.2	61.6	-154.9	0	0	111.7	I18 L19 C20 R25 M26	I18-E22 PolarHBondContact O-N 2.86Å; L19-E22 PolarHBondContact O-N 2.89Å; C20-E22 VanDerWaalsContact C-N 3.34Å; E22-R25 PolarHBondContact O-N 3.3Å; E22-R25 IonicContact OE1-CZ 3.76Å; E22-R25 IonicContact OE1-NH1 3.68Å; E22-R25 IonicContact OE1-NH2 2.7Å; E22-R25 PolarHBondContact OE1-NH2 3.39Å; E22-R25 IonicContact OE2-CZ 2.8Å; E22-R25 IonicContact OE2-NH1 3.61Å; E22-R25 PolarHBondContact OE2-NH1 3.16Å; E22-R25 IonicContact OE2-NH2 3.68Å; E22-R25 PolarHBondContact OE2-NH2 3.33Å; E22-M26 PolarHBondContact O-N 2.91Å
23	L	58.2	Low	57	Low	92 Å²	92	115.2 Å²	115.2	48%	0.482	58%	0.583	S	S	.	*	H	α-helix	trans	-65.7	-42.5	177.2	-69.5	174.5	0	0	0	111.8	L19 R25 M26 Y27	L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 2.85Å; L23-R25 VanDerWaalsContact C-N 3.26Å; L23-R25 PolarHBondContact O-N 3.4Å; L23-M26 PolarHBondContact O-N 2.95Å; L23-Y27 HydrophobicContact CB-CE2 4.45Å; L23-Y27 WeakPolarHBondContact O-CD2 3.4Å; L23-Y27 PolarHBondContact O-N 3.25Å
24	H	55.1	Low	56.5	Low	110 Å²	110	112.5 Å²	112.5	51%	0.509	58%	0.578	S	S	.	*	H	α-helix	trans	-58.6	-39.3	178.9	-166.3	82.2	0	0	0	111.9	C20 I21 M26 Y27 E28	C20-H24 WeakPolarHBondContact O-CB 3.15Å; C20-H24 PolarHBondContact O-N 2.8Å; I21-H24 PolarHBondContact O-N 2.7Å; H24-M26 VanDerWaalsContact C-N 3.28Å; H24-M26 PolarHBondContact O-N 2.97Å; H24-Y27 PolarHBondContact O-N 2.86Å; H24-E28 IonicContact CD2-OE1 2.63Å; H24-E28 IonicContact CD2-OE2 3.18Å; H24-E28 IonicContact CE1-OE1 2.82Å; H24-E28 IonicContact NE2-OE1 3.47Å; H24-E28 PolarHBondContact NE2-OE1 3.21Å; H24-E28 IonicContact NE2-OE2 3.73Å; H24-E28 PolarHBondContact O-N 3.04Å
25	R	58.4	Low	55.5	Low	138 Å²	138	114.7 Å²	114.7	52%	0.521	59%	0.585	S	S	.	*	H	α-helix	trans	-63.9	-30.5	176.5	-167.7	173	72.6	-103.2	6.1	113.3	I21 E22 L23	I21-R25 PolarHBondContact O-N 3.48Å; E22-R25 PolarHBondContact O-N 3.3Å; E22-R25 IonicContact OE1-CZ 3.76Å; E22-R25 IonicContact OE1-NH1 3.68Å; E22-R25 IonicContact OE1-NH2 2.7Å; E22-R25 PolarHBondContact OE1-NH2 3.39Å; E22-R25 IonicContact OE2-CZ 2.8Å; E22-R25 IonicContact OE2-NH1 3.61Å; E22-R25 PolarHBondContact OE2-NH1 3.16Å; E22-R25 IonicContact OE2-NH2 3.68Å; E22-R25 PolarHBondContact OE2-NH2 3.33Å; L23-R25 VanDerWaalsContact C-N 3.26Å; L23-R25 PolarHBondContact O-N 3.4Å
26	M	57.8	Low	54.8	Low	116 Å²	116	117.1 Å²	117.1	57%	0.571	60%	0.603	S	S	*	*	H	α-helix	trans	-77.7	-27.2	178.9	-69	-176.7	63.9	0	0	113.4	E22 L23 H24 T29	E22-M26 PolarHBondContact O-N 2.91Å; L23-M26 PolarHBondContact O-N 2.95Å; H24-M26 VanDerWaalsContact C-N 3.28Å; H24-M26 PolarHBondContact O-N 2.97Å; M26-T29 PolarHBondContact O-OG1 3.06Å
27	Y	56.6	Low	53.7	Low	169 Å²	169	118.2 Å²	118.2	66%	0.663	60%	0.603	S	S	*	*	H	α-helix	trans	-90.3	-24.8	-178.2	-70.8	-74.3	0	0	0	113.6	L23 H24 T29 N30	L23-Y27 HydrophobicContact CB-CE2 4.45Å; L23-Y27 WeakPolarHBondContact O-CD2 3.4Å; L23-Y27 PolarHBondContact O-N 3.25Å; H24-Y27 PolarHBondContact O-N 2.86Å; Y27-T29 VanDerWaalsContact C-N 3.27Å; Y27-T29 PolarHBondContact O-N 3.35Å; Y27-N30 PolarHBondContact O-N 3.32Å
28	E	54.3	Low	52.7	Low	137 Å²	137	115.4 Å²	115.4	64%	0.64	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-69	-21.4	176	-96.9	175.3	177.6	0	0	113.8	H24 N30	H24-E28 IonicContact CD2-OE1 2.63Å; H24-E28 IonicContact CD2-OE2 3.18Å; H24-E28 IonicContact CE1-OE1 2.82Å; H24-E28 IonicContact NE2-OE1 3.47Å; H24-E28 PolarHBondContact NE2-OE1 3.21Å; H24-E28 IonicContact NE2-OE2 3.73Å; H24-E28 PolarHBondContact O-N 3.04Å; E28-N30 VanDerWaalsContact C-N 3.33Å; E28-N30 PolarHBondContact O-N 3.43Å
29	T	57.7	Low	51.9	Low	95 Å²	95	118.6 Å²	118.6	58%	0.583	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-82.7	-1.4	179.8	31.8	0	0	0	0	115.2	M26 Y27 G31	M26-T29 PolarHBondContact O-OG1 3.06Å; Y27-T29 VanDerWaalsContact C-N 3.27Å; Y27-T29 PolarHBondContact O-N 3.35Å; T29-G31 VanDerWaalsContact C-N 3.32Å
30	N	52.9	Low	51.2	Low	128 Å²	128	118.9 Å²	118.9	68%	0.684	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-88.5	1.3	173.5	-71	-33.2	0	0	0	113.5	Y27 E28 T32	Y27-N30 PolarHBondContact O-N 3.32Å; E28-N30 VanDerWaalsContact C-N 3.33Å; E28-N30 PolarHBondContact O-N 3.43Å; N30-T32 PolarHBondContact O-N 3.5Å
31	G	46.5	Very low	50.4	Low	56 Å²	56	120 Å²	120	58%	0.577	65%	0.646	S	S	*	*	S	Bend	trans	-82.3	96.7	170.6	0	0	0	0	0	112	T29	T29-G31 VanDerWaalsContact C-N 3.32Å
32	T	40.6	Very low	49.7	Very low	124 Å²	124	122.9 Å²	122.9	76%	0.761	66%	0.657	S	S	*	*			trans	72.7	57.1	155.8	-35.8	0	0	0	0	116.6	N30 K34	N30-T32 PolarHBondContact O-N 3.5Å; T32-K34 PolarHBondContact O-N 3.38Å
33	I	51.7	Low	49.2	Very low	150 Å²	150	124.6 Å²	124.6	77%	0.769	68%	0.675	S	S	*	*			trans	-82	94.5	159.1	-14.5	176.3	0	0	0	107.4	E35	I33-E35 PolarHBondContact O-N 2.87Å
34	K	45.3	Very low	48.9	Very low	178 Å²	178	126.7 Å²	126.7	77%	0.774	69%	0.692	S	S	*	*			trans	-57.1	124.5	166	-78.4	-172.5	175.4	-175.6	0	107.7	T32 S36	T32-K34 PolarHBondContact O-N 3.38Å; K34-S36 VanDerWaalsContact C-N 3.3Å; K34-S36 PolarHBondContact O-N 3.28Å
35	E	38.8	Very low	48.6	Very low	164 Å²	164	126.5 Å²	126.5	77%	0.766	70%	0.703	S	S	*	*			trans	-60.3	83.9	-179.5	-161.1	-169.3	160.2	0	0	110.9	I33 N37	I33-E35 PolarHBondContact O-N 2.87Å; E35-N37 PolarHBondContact O-N 3.24Å; E35-N37 PolarHBondContact OE1-ND2 3.29Å
36	S	45	Very low	48.1	Very low	103 Å²	103	125.6 Å²	125.6	72%	0.72	72%	0.715	S	S	*	*			trans	-90.1	91.5	164.3	52.6	0	0	0	0	107.8	K34 S38	K34-S36 VanDerWaalsContact C-N 3.3Å; K34-S36 PolarHBondContact O-N 3.28Å; S36-S38 VanDerWaalsContact C-N 3.31Å; S36-S38 PolarHBondContact O-N 3.31Å
37	N	38.5	Very low	47.4	Very low	131 Å²	131	125.3 Å²	125.3	70%	0.701	73%	0.725	S	S	*	*			trans	-61.5	86.3	171.8	-74.3	-59.1	0	0	0	110.3	E35	E35-N37 PolarHBondContact O-N 3.24Å; E35-N37 PolarHBondContact OE1-ND2 3.29Å
38	S	44	Very low	47	Very low	91 Å²	91	125.1 Å²	125.1	64%	0.636	73%	0.734	S	S	*	*			trans	-102.2	116.7	163	66.5	0	0	0	0	108.8	S36 V40	S36-S38 VanDerWaalsContact C-N 3.31Å; S36-S38 PolarHBondContact O-N 3.31Å; S38-V40 PolarHBondContact O-N 3.33Å
39	P	49.4	Very low	46.6	Very low	127 Å²	127	123.9 Å²	123.9	83%	0.825	74%	0.735	S	S	*	*			trans	-61	123	179.8	6.3	-6.5	0	0	0	110.3	S41	P39-S41 PolarHBondContact O-N 2.81Å
40	V	45.9	Very low	45.7	Very low	120 Å²	120	123 Å²	123	73%	0.727	75%	0.745	S	S	*	*			trans	-63.2	99.9	175.5	172	0	0	0	0	108.4	S38 H42	S38-V40 PolarHBondContact O-N 3.33Å; V40-H42 PolarHBondContact O-N 3.02Å
41	S	41.8	Very low	45.2	Very low	108 Å²	108	122.2 Å²	122.2	76%	0.755	75%	0.745	S	S	*	*			trans	-77.1	115.4	169.6	56.6	0	0	0	0	109.1	P39	P39-S41 PolarHBondContact O-N 2.81Å
42	H	47.2	Very low	44.8	Very low	158 Å²	158	127.3 Å²	127.3	73%	0.731	76%	0.759	S	S	*	*			trans	-69.6	130	173.2	-67.4	-71.4	0	0	0	110.1	V40 T44	V40-H42 PolarHBondContact O-N 3.02Å; H42-T44 PolarHBondContact O-N 3.42Å; H42-T44 VanDerWaalsContact O-N 3.12Å
43	P	48.1	Very low	44.8	Very low	121 Å²	121	126.4 Å²	126.4	79%	0.786	76%	0.758	S	S	*	*			trans	-65.3	116.2	175.9	25.8	-31.4	0	0	0	108.9	S45	P43-S45 PolarHBondContact O-N 3.29Å
44	T	50.4	Low	44.2	Very low	137 Å²	137	129.7 Å²	129.7	84%	0.84	77%	0.767	S	S	*	*			trans	-66.3	114.9	173.2	-38.8	0	0	0	0	108	H42	H42-T44 PolarHBondContact O-N 3.42Å; H42-T44 VanDerWaalsContact O-N 3.12Å
45	S	49.6	Very low	44	Very low	106 Å²	106	126.9 Å²	126.9	74%	0.741	77%	0.769	S	S	*	*			trans	-53.5	132.4	-179.5	-61.2	0	0	0	0	111	P43 S47	P43-S45 PolarHBondContact O-N 3.29Å; S45-S47 PolarHBondContact O-N 3.2Å
46	P	47.3	Very low	44.2	Very low	119 Å²	119	122.3 Å²	122.3	77%	0.773	77%	0.766	S	S	*	*			trans	-66.6	129.6	-179.3	-14.7	27.9	0	0	0	110.6	I48	P46-I48 PolarHBondContact O-N 3.42Å
47	S	43.8	Very low	44.1	Very low	109 Å²	109	129 Å²	129	76%	0.762	78%	0.775	S	S	*	*			trans	-64.4	115.7	169.8	-178	0	0	0	0	109.5	S45 T49	S45-S47 PolarHBondContact O-N 3.2Å; S47-T49 VanDerWaalsContact C-N 3.33Å; S47-T49 PolarHBondContact O-N 2.7Å
48	I	49.1	Very low	44.2	Very low	166 Å²	166	132.7 Å²	132.7	85%	0.851	79%	0.785	S	S	*	*			trans	-80.3	82.2	-175.9	-42.2	172.2	0	0	0	107.9	P46 G50	P46-I48 PolarHBondContact O-N 3.42Å; I48-G50 PolarHBondContact O-N 2.99Å
49	T	45.1	Very low	44.1	Very low	111 Å²	111	133.6 Å²	133.6	68%	0.681	79%	0.792	S	S	*	*			trans	-90	101.9	167.5	-47.2	0	0	0	0	107.5	S47 T51	S47-T49 VanDerWaalsContact C-N 3.33Å; S47-T49 PolarHBondContact O-N 2.7Å; T49-T51 PolarHBondContact O-N 3.33Å; T49-T51 VanDerWaalsContact O-N 3.14Å
50	G	39.5	Very low	43.7	Very low	76 Å²	76	132.7 Å²	132.7	78%	0.784	79%	0.788	S	S	*	*			trans	-68.8	105.8	-179.8	0	0	0	0	0	111.4	I48	I48-G50 PolarHBondContact O-N 2.99Å
51	T	41.8	Very low	43.9	Very low	112 Å²	112	134.9 Å²	134.9	69%	0.687	80%	0.795	S	S	*	*			trans	-121.7	115.2	161.1	59	0	0	0	0	109.2	T49 S53	T49-T51 PolarHBondContact O-N 3.33Å; T49-T51 VanDerWaalsContact O-N 3.14Å; T51-S53 PolarHBondContact O-N 3.34Å; T51-S53 VanDerWaalsContact O-N 3.08Å
52	N	37	Very low	43.5	Very low	162 Å²	162	135.4 Å²	135.4	87%	0.866	80%	0.799	S	S	*	*			trans	-66.2	91.5	175.8	54.3	-12	0	0	0	111.2
53	S	42.2	Very low	43.1	Very low	105 Å²	105	133 Å²	133	73%	0.734	80%	0.8	S	S	*	*			trans	-124.9	106.3	170.2	-73.2	0	0	0	0	110.7	T51 S55	T51-S53 PolarHBondContact O-N 3.34Å; T51-S53 VanDerWaalsContact O-N 3.08Å; S53-S55 PolarHBondContact O-N 3.28Å
54	K	37.9	Very low	42.5	Very low	220 Å²	220	133.9 Å²	133.9	96%	0.957	80%	0.803	S	S	*	*			trans	-70.8	99.2	171.6	179.3	174.3	-178.3	175.3	0	108.7
55	S	40.9	Very low	42.2	Very low	118 Å²	118	133 Å²	133	83%	0.825	80%	0.803	S	S	*	*			trans	-164.4	125	162.3	-168.1	0	0	0	0	113.9	S53	S53-S55 PolarHBondContact O-N 3.28Å
56	G	42.8	Very low	41.7	Very low	68 Å²	68	133.8 Å²	133.8	70%	0.701	81%	0.808	S	S	*	*			trans	81.2	99.3	134.8	0	0	0	0	0	119.6
57	R	44.3	Very low	41.1	Very low	243 Å²	243	131.1 Å²	131.1	92%	0.917	80%	0.802	S	S	*	*			trans	-28.6	128.6	160.6	-84	170.1	154.2	168.3	-7.1	114.9
58	K	39.3	Very low	40.9	Very low	209 Å²	209	136.7 Å²	136.7	91%	0.909	81%	0.808	S	S	*	*			trans	-142.4	97.1	143.6	-63.2	-171.4	177.8	-176.4	0	108.7
59	S	42.3	Very low	40.5	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	81%	0.805	S	S	*	*			trans	-103.8	116.5	171.9	51.4	0	0	0	0	108.6
60	S	42.3	Very low	40.3	Very low	108 Å²	108	132.9 Å²	132.9	76%	0.755	81%	0.806	S	S	*	*			trans	-151.3	87	160.8	59.2	0	0	0	0	108.5
61	L	48.5	Very low	40.3	Very low	167 Å²	167	136.1 Å²	136.1	87%	0.874	80%	0.804	S	S	*	*			trans	-112.6	94.9	165.6	-64.2	175.8	0	0	0	106.1	S63	L61-S63 PolarHBondContact O-N 3.1Å
62	S	34.6	Very low	40.3	Very low	119 Å²	119	135.3 Å²	135.3	83%	0.832	80%	0.799	S	S	*	*			trans	-86.7	97.7	167.4	-65.8	0	0	0	0	107.3
63	S	39	Very low	40.4	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	79%	0.79	S	S	*	*			trans	-102.4	99.6	170.1	-61.7	0	0	0	0	108	L61 S65	L61-S63 PolarHBondContact O-N 3.1Å; S63-S65 PolarHBondContact O-N 3.18Å; S63-S65 VanDerWaalsContact O-N 3.16Å
64	T	35.7	Very low	40.3	Very low	138 Å²	138	135.7 Å²	135.7	85%	0.847	79%	0.792	S	S	*	*			trans	-76.5	92.3	169.2	51.6	0	0	0	0	108.4	S66	T64-S66 PolarHBondContact O-N 3.01Å
65	S	42.5	Very low	40.1	Very low	120 Å²	120	130.5 Å²	130.5	84%	0.839	78%	0.783	S	S	*	*			trans	-87.8	95.4	165.8	62.6	0	0	0	0	108.8	S63	S63-S65 PolarHBondContact O-N 3.18Å; S63-S65 VanDerWaalsContact O-N 3.16Å
66	S	39.2	Very low	40	Very low	121 Å²	121	132.2 Å²	132.2	85%	0.846	78%	0.783	S	S	*	*			trans	-91.3	117.5	163.7	177	0	0	0	0	107.6	T64	T64-S66 PolarHBondContact O-N 3.01Å
67	G	36.5	Very low	39.7	Very low	63 Å²	63	135 Å²	135	65%	0.649	79%	0.786	S	S	*	*			trans	171.6	73.5	179.9	0	0	0	0	0	112.7	S69	G67-S69 PolarHBondContact O-N 2.9Å
68	Y	39	Very low	39.6	Very low	226 Å²	226	129.2 Å²	129.2	89%	0.886	78%	0.778	S	S	*	*			trans	17.8	98.8	153.7	-77.9	-95.4	0	0	0	117.3	A70	Y68-A70 PolarHBondContact O-N 3.22Å; Y68-A70 VanDerWaalsContact O-N 3.1Å
69	S	41.3	Very low	39.5	Very low	114 Å²	114	122 Å²	122	80%	0.797	76%	0.763	S	S	*	*			trans	-74.9	91.6	158.5	-64.4	0	0	0	0	109.1	G67 I71	G67-S69 PolarHBondContact O-N 2.9Å; S69-I71 VanDerWaalsContact C-N 3.29Å; S69-I71 PolarHBondContact O-N 3.29Å
70	A	40.5	Very low	39.4	Very low	84 Å²	84	123.2 Å²	123.2	69%	0.694	77%	0.766	S	S	*	*			trans	-70.7	93.1	161.7	0	0	0	0	0	107.5	Y68 T72	Y68-A70 PolarHBondContact O-N 3.22Å; Y68-A70 VanDerWaalsContact O-N 3.1Å; A70-T72 PolarHBondContact O-N 2.82Å
71	I	39.3	Very low	39.4	Very low	143 Å²	143	124.3 Å²	124.3	73%	0.733	77%	0.772	S	S	*	*			trans	-71.8	82.5	172.8	-53.4	169.1	0	0	0	106.6	S69 S73	S69-I71 VanDerWaalsContact C-N 3.29Å; S69-I71 PolarHBondContact O-N 3.29Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 3.24Å
72	T	41	Very low	38.8	Very low	95 Å²	95	121.1 Å²	121.1	58%	0.583	76%	0.764	S	S	*	*			trans	-81.9	88.3	164.6	53.3	0	0	0	0	107.1	A70 F74	A70-T72 PolarHBondContact O-N 2.82Å; T72-F74 VanDerWaalsContact O-CD2 3.25Å; T72-F74 WeakPolarHBondContact O-CD2 3.49Å; T72-F74 WeakPolarHBondContact O-CE2 3.38Å; T72-F74 PolarHBondContact O-N 3.18Å; T72-F74 WeakPolarHBondContact OG1-CE2 3.45Å
73	S	38.5	Very low	39.4	Very low	99 Å²	99	120.9 Å²	120.9	69%	0.692	76%	0.762	S	S	*	*			trans	-65.3	111.4	170.8	-11.5	0	0	0	0	108.4	I71	I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 3.24Å
74	F	42	Very low	39.5	Very low	177 Å²	177	123.5 Å²	123.5	78%	0.776	77%	0.767	S	S	*	*			trans	-91.1	110.6	169	-61.7	-81.4	0	0	0	108.3	T72 L76	T72-F74 VanDerWaalsContact O-CD2 3.25Å; T72-F74 WeakPolarHBondContact O-CD2 3.49Å; T72-F74 WeakPolarHBondContact O-CE2 3.38Å; T72-F74 PolarHBondContact O-N 3.18Å; T72-F74 WeakPolarHBondContact OG1-CE2 3.45Å; F74-L76 PolarHBondContact O-N 3.12Å
75	S	33.4	Very low	40.1	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	75%	0.754	S	S	*	*			trans	-76.5	105.4	171.5	-66.7	0	0	0	0	109.2	T77	S75-T77 PolarHBondContact O-N 3.25Å
76	L	37.2	Very low	40.2	Very low	155 Å²	155	123.2 Å²	123.2	81%	0.812	75%	0.75	S	S	*	*			trans	-73.5	90.8	172.6	-174.8	70.1	0	0	0	109	F74 T78	F74-L76 PolarHBondContact O-N 3.12Å; L76-T78 HydrophobicContact CG-CG2 4.49Å; L76-T78 PolarHBondContact O-N 3.41Å
77	T	37.5	Very low	40.5	Very low	126 Å²	126	126.1 Å²	126.1	77%	0.773	75%	0.748	S	S	*	*			trans	-77.6	105.7	168.1	54.3	0	0	0	0	108.2	S75 G79	S75-T77 PolarHBondContact O-N 3.25Å; T77-G79 PolarHBondContact O-N 3.24Å
78	T	42.7	Very low	40.9	Very low	122 Å²	122	129.6 Å²	129.6	75%	0.748	75%	0.751	S	S	*	*			trans	-68.4	82.5	172.8	52.7	0	0	0	0	109.3	L76 T80	L76-T78 HydrophobicContact CG-CG2 4.49Å; L76-T78 PolarHBondContact O-N 3.41Å; T78-T80 PolarHBondContact O-N 2.89Å
79	G	37.1	Very low	41.1	Very low	58 Å²	58	124.6 Å²	124.6	60%	0.598	75%	0.746	S	S	*	*			trans	-68.9	117.5	166.9	0	0	0	0	0	108.6	T77 C81	T77-G79 PolarHBondContact O-N 3.24Å; G79-C81 PolarHBondContact O-N 2.87Å
80	T	39.7	Very low	41.3	Very low	135 Å²	135	127.1 Å²	127.1	83%	0.828	75%	0.75	S	S	*	*			trans	-62.6	105.5	172.9	48.2	0	0	0	0	108.9	T78 S82	T78-T80 PolarHBondContact O-N 2.89Å; T80-S82 VanDerWaalsContact C-N 3.32Å; T80-S82 PolarHBondContact O-N 3.07Å
81	C	42.5	Very low	41.2	Very low	130 Å²	130	126.1 Å²	126.1	88%	0.878	75%	0.748	S	S	*	*			trans	-68.8	88.7	175.8	-58.8	0	0	0	0	109.4	G79	G79-C81 PolarHBondContact O-N 2.87Å
82	S	35.3	Very low	41.3	Very low	101 Å²	101	127 Å²	127	71%	0.706	75%	0.752	S	S	*	*			trans	-84.7	143.1	158.3	67.4	0	0	0	0	108.6	T80	T80-S82 VanDerWaalsContact C-N 3.32Å; T80-S82 PolarHBondContact O-N 3.07Å
83	S	46.8	Very low	41.1	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	76%	0.763	S	S	*	*	S	Bend	trans	82.1	120.1	-179.9	76.7	0	0	0	0	117.2
84	L	42.5	Very low	41.3	Very low	162 Å²	162	129.6 Å²	129.6	85%	0.848	77%	0.766	S	S	*	*			trans	-56.4	130.3	176.6	-174.1	70.9	0	0	0	110.6	H86	L84-H86 PolarHBondContact O-N 3.46Å
85	P	47.7	Very low	41.1	Very low	88 Å²	88	128.7 Å²	128.7	57%	0.571	77%	0.768	S	S	*	*			trans	-66.4	111	176.8	26.1	-31.8	0	0	0	109.3	F87	P85-F87 VanDerWaalsContact C-N 3.34Å; P85-F87 HydrophobicContact CB-CE2 4.48Å; P85-F87 HydrophobicContact CG-CE2 4Å; P85-F87 HydrophobicContact CG-CZ 4.36Å; P85-F87 WeakPolarHBondContact O-CD2 3.25Å; P85-F87 PolarHBondContact O-N 2.82Å
86	H	45.6	Very low	41.3	Very low	165 Å²	165	128 Å²	128	76%	0.764	77%	0.769	S	S	*	*			trans	-66.9	93.4	169.7	-165.9	-83.4	0	0	0	107.7	L84 L88	L84-H86 PolarHBondContact O-N 3.46Å; H86-L88 PolarHBondContact O-N 2.63Å
87	F	44.2	Very low	41.2	Very low	181 Å²	181	126.6 Å²	126.6	79%	0.794	77%	0.767	S	S	*	*			trans	-63.2	106.6	173.6	-72.1	-84.2	0	0	0	108.4	P85	P85-F87 VanDerWaalsContact C-N 3.34Å; P85-F87 HydrophobicContact CB-CE2 4.48Å; P85-F87 HydrophobicContact CG-CE2 4Å; P85-F87 HydrophobicContact CG-CZ 4.36Å; P85-F87 WeakPolarHBondContact O-CD2 3.25Å; P85-F87 PolarHBondContact O-N 2.82Å
88	L	45.1	Very low	41.1	Very low	136 Å²	136	127.7 Å²	127.7	71%	0.712	77%	0.768	S	S	*	*			trans	-69.6	125.5	165.9	-69.1	172.1	0	0	0	107.6	H86 L90	H86-L88 PolarHBondContact O-N 2.63Å; L88-L90 PolarHBondContact O-N 3.19Å; L88-L90 VanDerWaalsContact O-N 3.11Å
89	P	43.5	Very low	40.5	Very low	121 Å²	121	131.4 Å²	131.4	79%	0.786	78%	0.777	S	S	*	*			trans	-58.6	119.8	172.2	-17.7	29.3	0	0	0	108.1	G91	P89-G91 PolarHBondContact O-N 2.79Å
90	L	45.7	Very low	40.3	Very low	168 Å²	168	133.8 Å²	133.8	88%	0.88	79%	0.785	S	S	*	*			trans	-62.4	90.9	172.5	-74.5	157.1	0	0	0	107.7	L88 I92	L88-L90 PolarHBondContact O-N 3.19Å; L88-L90 VanDerWaalsContact O-N 3.11Å; L90-I92 VanDerWaalsContact C-N 3.29Å; L90-I92 PolarHBondContact O-N 2.72Å
91	G	37.3	Very low	39.9	Very low	63 Å²	63	135.8 Å²	135.8	65%	0.649	79%	0.785	S	S	*	*			trans	-65.8	90.5	170.8	0	0	0	0	0	108.9	P89 T93	P89-G91 PolarHBondContact O-N 2.79Å; G91-T93 VanDerWaalsContact C-N 3.3Å; G91-T93 PolarHBondContact O-N 3.35Å; G91-T93 PolarHBondContact O-OG1 2.72Å
92	I	42.9	Very low	39.9	Very low	162 Å²	162	135.7 Å²	135.7	83%	0.831	78%	0.783	S	S	*	*			trans	-59.1	97.6	162	39.1	167.1	0	0	0	107.2	L90 P94	L90-I92 VanDerWaalsContact C-N 3.29Å; L90-I92 PolarHBondContact O-N 2.72Å; I92-P94 WeakPolarHBondContact O-CD 3.42Å
93	T	35.9	Very low	40.3	Very low	131 Å²	131	136.2 Å²	136.2	80%	0.804	78%	0.781	S	S	*	*			trans	-78.8	110.3	171.9	-45.9	0	0	0	0	105.8	G91 L95	G91-T93 VanDerWaalsContact C-N 3.3Å; G91-T93 PolarHBondContact O-N 3.35Å; G91-T93 PolarHBondContact O-OG1 2.72Å; T93-L95 PolarHBondContact O-N 3.34Å
94	P	42.2	Very low	40.2	Very low	116 Å²	116	139.6 Å²	139.6	75%	0.753	78%	0.784	S	S	*	*			trans	-60.9	124.3	176.9	22.4	-29.7	0	0	0	108.7	I92 A96	I92-P94 WeakPolarHBondContact O-CD 3.42Å; P94-A96 PolarHBondContact O-N 3.29Å
95	L	37.9	Very low	40.9	Very low	158 Å²	158	137.3 Å²	137.3	83%	0.827	78%	0.777	S	S	*	*			trans	-51.7	121.8	179.8	-170.4	66.8	0	0	0	109.3	T93 T97	T93-L95 PolarHBondContact O-N 3.34Å; L95-T97 PolarHBondContact O-N 3.31Å; L95-T97 PolarHBondContact O-OG1 2.97Å
96	A	37.7	Very low	41	Very low	96 Å²	96	139.6 Å²	139.6	79%	0.793	78%	0.783	S	S	*	*			trans	-60.3	99.4	177.2	0	0	0	0	0	110	P94	P94-A96 PolarHBondContact O-N 3.29Å
97	T	36	Very low	41.4	Very low	125 Å²	125	139.4 Å²	139.4	77%	0.767	79%	0.788	S	S	*	*			trans	-91.2	123.2	171	-47.3	0	0	0	0	108.6	L95	L95-T97 PolarHBondContact O-N 3.31Å; L95-T97 PolarHBondContact O-OG1 2.97Å
98	N	35.2	Very low	41.8	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	78%	0.784	S	S	*	*			trans	-36	137	-173.6	-69.7	-79.4	0	0	0	116.8	S100	N98-S100 PolarHBondContact O-N 2.81Å
99	Q	30.6	Very low	42.7	Very low	200 Å²	200	136.8 Å²	136.8	94%	0.935	78%	0.783	S	S	*	*			trans	-61.3	115	166.7	-65.7	-177.7	-4.1	0	0	110.9
100	S	32.7	Very low	43.6	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	79%	0.786	S	S	*	*			trans	-162.3	107.1	153.7	48.1	0	0	0	0	111.7	N98	N98-S100 PolarHBondContact O-N 2.81Å
101	Q	30.6	Very low	44.7	Very low	176 Å²	176	137.1 Å²	137.1	82%	0.822	77%	0.774	S	S	*	*			trans	67.4	123.9	159.2	-70.8	-172.8	-7.5	0	0	120.5	V103	Q101-V103 PolarHBondContact O-N 3.42Å; Q101-V103 VanDerWaalsContact O-N 3.12Å
102	P	43	Very low	46.1	Very low	129 Å²	129	141.1 Å²	141.1	84%	0.838	78%	0.781	S	S	*	*			trans	-76.1	99.3	171.9	31.9	-29.3	0	0	0	108.6
103	V	43.1	Very low	47.7	Very low	111 Å²	111	141.2 Å²	141.2	67%	0.673	78%	0.78	S	S	*	*			trans	-88.6	114.3	160.3	178	0	0	0	0	105.9	Q101 V105	Q101-V103 PolarHBondContact O-N 3.42Å; Q101-V103 VanDerWaalsContact O-N 3.12Å; V103-V105 VanDerWaalsContact C-N 3.29Å; V103-V105 HydrophobicContact CB-CG2 4.49Å; V103-V105 HydrophobicContact CG1-CG2 3.96Å; V103-V105 PolarHBondContact O-N 3.03Å
104	E	45.6	Very low	49.3	Very low	185 Å²	185	141.1 Å²	141.1	86%	0.864	77%	0.774	S	S	*	*			trans	-60.9	89.6	171.4	-66.2	-179.6	163.9	0	0	108.9	I106	E104-I106 PolarHBondContact O-N 2.77Å
105	V	55.6	Low	50.8	Low	114 Å²	114	140.6 Å²	140.6	69%	0.691	77%	0.774	S	S	*	*			trans	-90	89	171.4	-175.7	0	0	0	0	107.6	V103 N107	V103-V105 VanDerWaalsContact C-N 3.29Å; V103-V105 HydrophobicContact CB-CG2 4.49Å; V103-V105 HydrophobicContact CG1-CG2 3.96Å; V103-V105 PolarHBondContact O-N 3.03Å; V105-N107 PolarHBondContact O-N 3.06Å
106	I	50.6	Low	52.4	Low	137 Å²	137	140.8 Å²	140.8	70%	0.703	77%	0.77	S	S	*	*			trans	-9.3	111	149.6	-10.5	175.9	0	0	0	112.6	E104 N108	E104-I106 PolarHBondContact O-N 2.77Å; I106-N108 PolarHBondContact O-N 3.42Å
107	N	54.5	Low	54	Low	161 Å²	161	143.2 Å²	143.2	86%	0.861	77%	0.77	S	S	*	*			trans	-62.9	94.1	172.7	-64.1	-39.3	0	0	0	109.6	V105	V105-N107 PolarHBondContact O-N 3.06Å
108	N	52.8	Low	55.5	Low	135 Å²	135	144 Å²	144	72%	0.722	76%	0.764	S	S	*	*			trans	-143.3	97.4	168.9	-69.7	-43.1	0	0	0	107	I106	I106-N108 PolarHBondContact O-N 3.42Å
109	D	62.5	Low	57.1	Low	127 Å²	127	141.5 Å²	141.5	68%	0.679	76%	0.758	S	S	*	*				174.8	115.8	97.9	-143.2	-17.3	0	0	0	105.1	E111	D109-E111 HydrophobicContact CB-CG 4.31Å; D109-E111 PolarHBondContact O-N 3.16Å
110	D	63.6	Low	58.8	Low	161 Å²	161	138.6 Å²	138.6	86%	0.861	75%	0.748	S	S	*	*			trans	-69.5	75.2	170.8	-71.5	-50.1	0	0	0	106.8	D112	D110-D112 VanDerWaalsContact C-N 3.31Å; D110-D112 PolarHBondContact O-N 3.02Å
111	E	67.9	Low	60.2	Low	134 Å²	134	140.8 Å²	140.8	63%	0.626	75%	0.751	S	S	*	*			trans	-64.6	98.9	172.3	-70.7	-71.8	169.8	0	0	107	D109 M113	D109-E111 HydrophobicContact CB-CG 4.31Å; D109-E111 PolarHBondContact O-N 3.16Å; E111-M113 HydrophobicContact CB-CE 4.48Å; E111-M113 PolarHBondContact O-N 3.4Å
112	D	67.9	Low	61.7	Low	148 Å²	148	142.6 Å²	142.6	79%	0.791	75%	0.75	S	S	*	*			trans	-54.9	84.5	169.4	-91.4	-30.8	0	0	0	108.7	D110 D114	D110-D112 VanDerWaalsContact C-N 3.31Å; D110-D112 PolarHBondContact O-N 3.02Å; D112-D114 PolarHBondContact O-N 3.39Å
113	M	75	Confident	62.5	Low	163 Å²	163	143.3 Å²	143.3	80%	0.803	75%	0.747	S	S	*	*			trans	-73.5	81.1	169	-66	-67	-173	0	0	107.1	E111 S115	E111-M113 HydrophobicContact CB-CE 4.48Å; E111-M113 PolarHBondContact O-N 3.4Å; M113-S115 PolarHBondContact O-N 2.88Å
114	D	70.9	Confident	63.3	Low	130 Å²	130	146.4 Å²	146.4	70%	0.695	76%	0.759	S	S	*	*			trans	-55.5	84.8	165	-95.6	-20.3	0	0	0	108.4	D112 H116	D112-D114 PolarHBondContact O-N 3.39Å; D114-H116 VanDerWaalsContact C-N 3.33Å; D114-H116 PolarHBondContact O-N 3.19Å
115	S	72.7	Confident	63.7	Low	105 Å²	105	146.9 Å²	146.9	73%	0.734	76%	0.758	S	S	*	*			trans	-72.4	94.5	178.8	67.5	0	0	0	0	107.3	M113 N117	M113-S115 PolarHBondContact O-N 2.88Å; S115-N117 VanDerWaalsContact C-N 3.28Å; S115-N117 PolarHBondContact O-N 2.9Å
116	H	72.9	Confident	63.4	Low	161 Å²	161	146.4 Å²	146.4	75%	0.745	76%	0.76	S	S	*	*			trans	-61.7	94.7	169.3	-66.2	-49	0	0	0	108.9	D114 H118	D114-H116 VanDerWaalsContact C-N 3.33Å; D114-H116 PolarHBondContact O-N 3.19Å; H116-H118 VanDerWaalsContact C-N 3.29Å; H116-H118 PolarHBondContact O-N 3.45Å; H116-H118 PolarHBondContact O-ND1 3.49Å
117	N	69.5	Low	63.6	Low	148 Å²	148	143.7 Å²	143.7	79%	0.791	76%	0.758	S	S	*	*			trans	-71.4	87.6	175.7	-148.2	5.1	0	0	0	107.8	S115 S119	S115-N117 VanDerWaalsContact C-N 3.28Å; S115-N117 PolarHBondContact O-N 2.9Å; N117-S119 VanDerWaalsContact C-N 3.34Å; N117-S119 PolarHBondContact O-N 3.11Å
118	H	68.3	Low	63.4	Low	142 Å²	142	144.8 Å²	144.8	66%	0.657	76%	0.758	S	S	*	*			trans	-79	88.7	174.5	55	-78.3	0	0	0	107.8	H116 L120	H116-H118 VanDerWaalsContact C-N 3.29Å; H116-H118 PolarHBondContact O-N 3.45Å; H116-H118 PolarHBondContact O-ND1 3.49Å; H118-L120 PolarHBondContact O-N 3.01Å
119	S	70	Confident	63.4	Low	95 Å²	95	139.2 Å²	139.2	66%	0.664	73%	0.732	S	S	*	*			trans	-56.3	104.6	167.8	-85.6	0	0	0	0	109.1	N117 L121	N117-S119 VanDerWaalsContact C-N 3.34Å; N117-S119 PolarHBondContact O-N 3.11Å; S119-L121 PolarHBondContact O-N 3Å
120	L	65.6	Low	63.1	Low	139 Å²	139	138.9 Å²	138.9	73%	0.728	74%	0.737	S	S	*	*			trans	-70	7.6	176.1	-72	174.1	0	0	0	113.4	H118 R122	H118-L120 PolarHBondContact O-N 3.01Å; L120-R122 PolarHBondContact O-N 3.33Å
121	L	62.3	Low	62.8	Low	155 Å²	155	138.4 Å²	138.4	81%	0.812	73%	0.727	S	S	*	*			trans	-71.2	62.6	162.8	-59.5	-179.9	0	0	0	108.6	S119 D123	S119-L121 PolarHBondContact O-N 3Å; L121-D123 PolarHBondContact O-N 3.42Å; L121-D123 VanDerWaalsContact O-N 3.11Å
122	R	61.9	Low	62.2	Low	214 Å²	214	140.1 Å²	140.1	81%	0.808	73%	0.733	S	S	*	*			trans	-57.8	118.3	152.3	-79.4	-177	-162.3	-163	3.1	104.3	L120 L124	L120-R122 PolarHBondContact O-N 3.33Å; R122-L124 PolarHBondContact O-N 2.7Å
123	D	59.9	Low	61.7	Low	144 Å²	144	140.5 Å²	140.5	77%	0.77	73%	0.729	S	S	*	*			trans	-29.7	109.3	168.6	-60.7	-51.7	0	0	0	108.7	L121 K125	L121-D123 PolarHBondContact O-N 3.42Å; L121-D123 VanDerWaalsContact O-N 3.11Å; D123-K125 HydrophobicContact CB-CB 4.1Å; D123-K125 PolarHBondContact O-N 3.32Å
124	L	59.3	Low	60.9	Low	177 Å²	177	139.8 Å²	139.8	93%	0.927	72%	0.724	S	S	*	*			trans	-68.6	57.4	162.5	-68.1	175.1	0	0	0	107.1	R122 S126	R122-L124 PolarHBondContact O-N 2.7Å; L124-S126 PolarHBondContact O-N 3.43Å
125	K	54.2	Low	60.3	Low	194 Å²	194	139.5 Å²	139.5	84%	0.843	73%	0.727	S	S	*	*			trans	-91.5	59.5	167	-163.2	151.4	-173.9	173.9	0	106	D123	D123-K125 HydrophobicContact CB-CB 4.1Å; D123-K125 PolarHBondContact O-N 3.32Å
126	S	49.9	Very low	59.5	Low	105 Å²	105	141.3 Å²	141.3	73%	0.734	73%	0.729	S	S	*	*			trans	-126.3	109.6	176.4	-141.2	0	0	0	0	109.4	L124	L124-S126 PolarHBondContact O-N 3.43Å
127	A	54.8	Low	59.1	Low	80 Å²	80	139.8 Å²	139.8	66%	0.661	72%	0.724	S	S	*	*			trans	59.9	84.6	152.7	0	0	0	0	0	114.5	G129	A127-G129 PolarHBondContact O-N 3.26Å
128	E	50.7	Low	58.9	Low	184 Å²	184	141.4 Å²	141.4	86%	0.86	73%	0.727	S	S	*	*			trans	-56.9	72.7	130.2	-171.8	93.6	-160.1	0	0	106.9
129	G	52.4	Low	58.8	Low	18 Å²	18	142.2 Å²	142.2	19%	0.186	73%	0.731	C	S	.	*			trans	-66	158.6	169.5	0	0	0	0	0	108.1	A127 F131	A127-G129 PolarHBondContact O-N 3.26Å; G129-F131 PolarHBondContact O-N 3.47Å
130	P	56.5	Low	58.4	Low	120 Å²	120	142.6 Å²	142.6	78%	0.779	73%	0.733	S	S	*	*	S	Bend	trans	-74.7	62.1	-175.3	32.2	-35	0	0	0	111.4	K132	P130-K132 PolarHBondContact O-N 2.72Å
131	F	55.5	Low	58	Low	150 Å²	150	141.9 Å²	141.9	66%	0.658	73%	0.731	S	S	*	*			trans	-77.4	13	165.9	-67.7	-71.1	0	0	0	112	G129 H133 H134	G129-F131 PolarHBondContact O-N 3.47Å; F131-H133 PolarHBondContact O-N 3.29Å; F131-H134 AromaticContact CD1-CE1 3.94Å; F131-H134 AromaticContact CD1-NE2 3.54Å; F131-H134 AromaticContact CG-NE2 3.99Å; F131-H134 PolarHBondContact O-CD2 3.19Å
132	K	57.1	Low	57.8	Low	170 Å²	170	139.7 Å²	139.7	74%	0.739	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	5.2	173.9	-72.5	-168.7	177.2	-177	0	114.2	P130	P130-K132 PolarHBondContact O-N 2.72Å
133	H	57.2	Low	57.6	Low	156 Å²	156	139 Å²	139	72%	0.722	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	50.7	179.5	-55.5	-43.3	0	0	0	112	F131 T135	F131-H133 PolarHBondContact O-N 3.29Å; H133-T135 PolarHBondContact O-N 3Å; H133-T135 VanDerWaalsContact O-N 3.13Å
134	H	56.9	Low	57.4	Low	149 Å²	149	139.1 Å²	139.1	69%	0.69	72%	0.723	S	S	*	*			trans	-76.8	96.6	159.2	-70.3	-62.4	0	0	0	108.6	F131 N136	F131-H134 AromaticContact CD1-CE1 3.94Å; F131-H134 AromaticContact CD1-NE2 3.54Å; F131-H134 AromaticContact CG-NE2 3.99Å; F131-H134 PolarHBondContact O-CD2 3.19Å; H134-N136 PolarHBondContact O-N 3.12Å
135	T	59.2	Low	57	Low	123 Å²	123	136.4 Å²	136.4	76%	0.755	72%	0.715	S	S	*	*			trans	-46.3	126.4	170.7	-51.7	0	0	0	0	109.8	H133 I137	H133-T135 PolarHBondContact O-N 3Å; H133-T135 VanDerWaalsContact O-N 3.13Å; T135-I137 PolarHBondContact O-N 3.26Å
136	N	56.5	Low	57.5	Low	144 Å²	144	133.2 Å²	133.2	77%	0.77	71%	0.712	S	S	*	*			trans	-52.5	105.5	177	-164.3	-23	0	0	0	109.3	H134 Q138	H134-N136 PolarHBondContact O-N 3.12Å; N136-Q138 PolarHBondContact O-N 2.7Å
137	I	64.5	Low	57.8	Low	128 Å²	128	134.8 Å²	134.8	66%	0.656	72%	0.717	S	S	*	*			trans	-70.8	100.9	180	-60.5	175	0	0	0	106.7	T135 H139	T135-I137 PolarHBondContact O-N 3.26Å; I137-H139 PolarHBondContact O-CD2 3.13Å; I137-H139 PolarHBondContact O-N 3.22Å
138	Q	64.3	Low	57.9	Low	183 Å²	183	136.9 Å²	136.9	86%	0.855	72%	0.722	S	S	*	*			trans	-70.6	114.5	174	-100.5	179.9	-38.6	0	0	109.9	N136 S140	N136-Q138 PolarHBondContact O-N 2.7Å; Q138-S140 PolarHBondContact O-N 3Å
139	H	65.5	Low	57.9	Low	159 Å²	159	132.7 Å²	132.7	74%	0.736	72%	0.718	S	S	*	*			trans	-83.6	105	172.6	-57.2	-71.3	0	0	0	109.6	I137 N141	I137-H139 PolarHBondContact O-CD2 3.13Å; I137-H139 PolarHBondContact O-N 3.22Å; H139-N141 PolarHBondContact O-N 2.95Å
140	S	62.8	Low	57.8	Low	102 Å²	102	140.2 Å²	140.2	71%	0.713	75%	0.751	S	S	*	*			trans	-81.5	111	169	58.4	0	0	0	0	109.7	Q138 T142	Q138-S140 PolarHBondContact O-N 3Å; S140-T142 VanDerWaalsContact C-N 3.35Å; S140-T142 PolarHBondContact O-N 3.34Å
141	N	56	Low	57.3	Low	125 Å²	125	142.2 Å²	142.2	67%	0.668	76%	0.755	S	S	*	*			trans	-73.4	85.2	171.5	-77.8	-15.9	0	0	0	110.1	H139 Y143	H139-N141 PolarHBondContact O-N 2.95Å; N141-Y143 HydrophobicContact CB-CD2 4.38Å; N141-Y143 HydrophobicContact CB-CE2 3.91Å; N141-Y143 PolarHBondContact O-N 3.02Å
142	T	59.6	Low	57.1	Low	109 Å²	109	140.6 Å²	140.6	67%	0.669	76%	0.757	S	S	*	*			trans	-81.5	97.3	169.5	-53.4	0	0	0	0	109	S140 L144	S140-T142 VanDerWaalsContact C-N 3.35Å; S140-T142 PolarHBondContact O-N 3.34Å; T142-L144 PolarHBondContact O-N 3.45Å
143	Y	57.8	Low	57	Low	198 Å²	198	137.2 Å²	137.2	78%	0.776	76%	0.755	S	S	*	*			trans	-71.4	110.2	170.7	-68.4	-87.6	0	0	0	109.5	N141	N141-Y143 HydrophobicContact CB-CD2 4.38Å; N141-Y143 HydrophobicContact CB-CE2 3.91Å; N141-Y143 PolarHBondContact O-N 3.02Å
144	L	53.8	Low	56.8	Low	148 Å²	148	137.5 Å²	137.5	78%	0.775	76%	0.762	S	S	*	*			trans	-85.8	122.9	170.1	-68.1	171.3	0	0	0	108.8	T142 T146	T142-L144 PolarHBondContact O-N 3.45Å; L144-T146 PolarHBondContact O-N 3.27Å
145	P	52.8	Low	56.7	Low	119 Å²	119	137.9 Å²	137.9	77%	0.773	77%	0.767	S	S	*	*			trans	-71.2	119.1	176.9	26.3	-31.2	0	0	0	110.9	V147	P145-V147 PolarHBondContact O-N 3.26Å
146	T	62.7	Low	56.4	Low	128 Å²	128	141.5 Å²	141.5	79%	0.785	77%	0.773	S	S	*	*			trans	-77.2	112.1	172.4	-55.6	0	0	0	0	109.6	L144 V148	L144-T146 PolarHBondContact O-N 3.27Å; T146-V148 HydrophobicContact CG2-CG2 4.41Å
147	V	56.9	Low	56.3	Low	137 Å²	137	139 Å²	139	83%	0.83	77%	0.773	S	S	*	*			trans	-85.9	112.4	174.2	-176	0	0	0	0	108.7	P145	P145-V147 PolarHBondContact O-N 3.26Å
148	V	58.1	Low	56.1	Low	125 Å²	125	139.5 Å²	139.5	76%	0.758	78%	0.781	S	S	*	*			trans	-90.1	118.4	176.4	-179.2	0	0	0	0	109	T146 M150	T146-V148 HydrophobicContact CG2-CG2 4.41Å; V148-M150 PolarHBondContact O-N 3.44Å
149	A	50.4	Low	55.9	Low	96 Å²	96	136.6 Å²	136.6	79%	0.793	78%	0.776	S	S	*	*			trans	-76.8	114.2	175.5	0	0	0	0	0	110.3
150	M	48.8	Very low	55.6	Low	176 Å²	176	134.5 Å²	134.5	87%	0.867	78%	0.777	S	S	*	*			trans	-89	108.4	178.3	-161.4	164.1	171.3	0	0	109	V148 T152	V148-M150 PolarHBondContact O-N 3.44Å; M150-T152 PolarHBondContact O-N 3.38Å
151	N	47.5	Very low	55.4	Low	161 Å²	161	138.9 Å²	138.9	86%	0.861	79%	0.786	S	S	*	*			trans	-85.8	102.6	-177.3	-158.3	-6.2	0	0	0	109.4	S153	N151-S153 PolarHBondContact O-N 3.21Å
152	T	51.6	Low	55.2	Low	116 Å²	116	144.9 Å²	144.9	71%	0.712	80%	0.799	S	S	*	*			trans	-78.9	103.3	177.1	43.2	0	0	0	0	109.9	M150 N154	M150-T152 PolarHBondContact O-N 3.38Å; T152-N154 PolarHBondContact O-N 3.14Å
153	S	55.1	Low	55.1	Low	99 Å²	99	151.4 Å²	151.4	69%	0.692	83%	0.829	S	S	*	*			trans	-71.4	118.5	172.1	51.6	0	0	0	0	109.9	N151 I155	N151-S153 PolarHBondContact O-N 3.21Å; S153-I155 PolarHBondContact O-N 2.98Å
154	N	52	Low	55	Low	162 Å²	162	149.1 Å²	149.1	87%	0.866	83%	0.831	S	S	*	*			trans	-64.8	96.7	173.8	-78.6	-49.6	0	0	0	109.9	T152 K156	T152-N154 PolarHBondContact O-N 3.14Å; N154-K156 PolarHBondContact O-N 3.24Å; N154-K156 VanDerWaalsContact O-N 3.12Å
155	I	54.3	Low	55	Low	157 Å²	157	149.2 Å²	149.2	81%	0.805	83%	0.834	S	S	*	*			trans	-72.7	104	170.6	-54.5	173.4	0	0	0	107.1	S153 A157	S153-I155 PolarHBondContact O-N 2.98Å; I155-A157 PolarHBondContact O-N 3.48Å
156	K	53.1	Low	55.1	Low	199 Å²	199	150.8 Å²	150.8	87%	0.865	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-68.3	116.3	176.1	-133.9	177.9	-175.1	-177.9	0	108.6	N154 V158	N154-K156 PolarHBondContact O-N 3.24Å; N154-K156 VanDerWaalsContact O-N 3.12Å; K156-V158 PolarHBondContact O-N 3.08Å
157	A	54.7	Low	54.7	Low	93 Å²	93	152.2 Å²	152.2	77%	0.769	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-67.4	123.7	177.5	0	0	0	0	0	110.6	I155	I155-A157 PolarHBondContact O-N 3.48Å
158	V	59.6	Low	54.6	Low	138 Å²	138	153.1 Å²	153.1	84%	0.836	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-82.3	121.2	174.5	175.5	0	0	0	0	108.5	K156	K156-V158 PolarHBondContact O-N 3.08Å
159	T	60.9	Low	54.3	Low	122 Å²	122	155 Å²	155	75%	0.748	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-83.3	122.7	178	-40.7	0	0	0	0	109.5
160	P	59.6	Low	54.6	Low	115 Å²	115	159.2 Å²	159.2	75%	0.747	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-76	128.3	176.1	27.8	-30.8	0	0	0	110.8
161	E	59.1	Low	55	Low	193 Å²	193	157.9 Å²	157.9	90%	0.902	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-69.5	137	179.6	-54.5	-165.2	-177.6	0	0	111.1
162	R	51.7	Low	55.7	Low	251 Å²	251	157.7 Å²	157.7	95%	0.947	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-82.1	119.5	175.7	-88.8	-177.1	157.5	145.1	-4.3	109.5
163	L	56.5	Low	56	Low	247 Å²	247	161.5 Å²	161.5	100%	1.293	86%	0.861	S	S	*	*			trans	-68.1	0	159.6	-79.9	161.4	0	0	0	111

Retrieved 163 of 163 residues in 57.7 ms (Link to these results)

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